#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r85 s PRO 10 N 0.00 3.64 -1.36 1.64 0.04 -1.26 -4.93 135.00 132.78 1r85 s PRO 10 Ca 0.00 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 61.91 1r85 s PRO 10 Cb 0.00 -2.09 0.11 0.00 0.04 0.00 0.00 34.50 32.57 1r85 s PRO 10 CO 0.00 -0.53 2.05 1.58 0.04 0.00 0.00 177.00 180.13 1r85 n HIS 11 N -2.04 3.13 -3.14 0.56 -0.00 -1.26 -4.81 115.22 107.66 1r85 n HIS 11 Ca 0.07 -2.86 -0.26 0.00 0.46 0.00 0.00 57.72 55.12 1r85 n HIS 11 Cb 0.54 -2.18 -0.02 0.00 -0.12 0.00 0.00 29.99 28.21 1r85 n HIS 11 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1r85 s ILE 12 N 1.41 5.01 0.18 3.57 -4.36 -1.26 -4.72 121.20 121.03 1r85 s ILE 12 Ca 0.43 -0.08 -0.33 0.00 -0.26 0.00 0.00 60.65 60.41 1r85 s ILE 12 Cb 0.12 -3.82 -0.15 0.00 1.25 0.00 0.00 42.46 39.86 1r85 s ILE 12 CO -0.03 -0.57 1.26 -0.24 0.24 0.00 0.00 174.94 175.60 1r85 n SER 13 N -1.64 1.78 0.23 4.36 2.88 -1.26 -0.73 113.62 119.23 1r85 n SER 13 Ca -0.02 1.14 0.10 0.00 -1.33 0.00 0.00 58.87 58.76 1r85 n SER 13 Cb 0.55 -1.27 0.53 0.00 -0.75 0.00 0.00 64.21 63.27 1r85 n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r85 h ALA 14 N 3.83 1.09 0.00 -1.46 0.00 -1.23 -3.18 119.26 118.31 1r85 h ALA 14 Ca -0.44 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1r85 h ALA 14 Cb 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1r85 h ALA 14 CO 0.73 0.26 0.00 -0.07 0.00 0.00 0.00 179.25 180.17 1r85 h LEU 15 N 0.00 0.00 0.00 0.00 3.38 -1.89 -2.56 115.31 114.24 1r85 h LEU 15 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r85 h LEU 15 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1r85 h LEU 15 CO 0.03 0.00 -0.30 -3.20 0.09 0.00 0.00 178.44 175.05 1r85 n ASN 16 N -2.75 1.52 -4.57 -0.43 5.15 -1.24 -4.97 115.26 107.96 1r85 n ASN 16 Ca -0.01 -0.32 -0.34 0.00 -0.60 0.00 0.00 54.58 53.31 1r85 n ASN 16 Cb 0.15 0.94 0.11 0.00 -0.53 0.00 0.00 39.78 40.45 1r85 n ASN 16 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1r85 n ALA 17 N -1.10 -1.03 -1.57 5.20 0.00 -0.97 -4.92 120.51 116.12 1r85 n ALA 17 Ca 0.00 -0.37 -0.49 0.00 0.00 0.00 0.00 53.44 52.58 1r85 n ALA 17 Cb 0.00 -2.04 -0.04 0.00 0.00 0.00 0.00 19.45 17.37 1r85 n ALA 17 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1r85 n PRO 18 N -2.25 1.10 -2.32 0.00 -0.02 -1.26 -4.85 135.00 125.41 1r85 n PRO 18 Ca 0.11 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 1r85 n PRO 18 Cb 0.51 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 1r85 n PRO 18 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1r85 s GLN 19 N -0.47 4.34 0.09 -0.52 1.11 -1.26 -4.94 119.66 118.01 1r85 s GLN 19 Ca 0.72 1.87 -0.18 0.00 0.01 0.00 0.00 55.36 57.79 1r85 s GLN 19 Cb -0.86 -3.46 -0.08 0.00 -1.01 0.00 0.00 33.01 27.60 1r85 s GLN 19 CO 0.53 -0.44 1.49 1.25 0.01 0.00 0.00 175.29 178.13 1r85 h LEU 20 N 7.68 0.51 -1.03 2.90 5.85 -1.79 -2.44 115.31 126.99 1r85 h LEU 20 Ca -0.39 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.04 1r85 h LEU 20 Cb 1.19 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 1r85 h LEU 20 CO 0.87 0.74 0.65 -2.24 -0.34 0.00 0.00 178.44 178.12 1r85 h ASP 21 N 0.27 1.05 -0.25 1.25 2.03 -1.44 -2.24 116.42 117.08 1r85 h ASP 21 Ca 0.07 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.29 1r85 h ASP 21 Cb 0.51 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.77 1r85 h ASP 21 CO 0.02 0.68 -0.12 1.56 -1.03 0.00 0.00 179.24 180.36 1r85 h GLN 22 N 1.19 0.66 -0.50 4.15 4.20 -1.80 -0.62 115.11 122.39 1r85 h GLN 22 Ca 0.42 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.94 1r85 h GLN 22 Cb 0.12 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1r85 h GLN 22 CO -0.16 0.76 0.33 -0.09 -0.67 0.00 0.00 178.83 179.00 1r85 h ARG 23 N 0.60 0.61 -0.44 1.46 9.65 -0.93 -3.06 114.38 122.27 1r85 h ARG 23 Ca 0.10 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1r85 h ARG 23 Cb 0.55 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1r85 h ARG 23 CO 0.03 0.40 0.00 0.66 2.80 0.00 0.00 179.97 183.87 1r85 n TYR 24 N -4.47 0.58 0.31 2.20 4.01 -0.81 -4.78 117.16 114.20 1r85 n TYR 24 Ca 0.05 -0.42 0.20 0.00 -0.16 0.00 0.00 57.90 57.56 1r85 n TYR 24 Cb 0.09 -0.01 1.01 0.00 -0.31 0.00 0.00 39.34 40.12 1r85 n TYR 24 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1r85 h LYS 25 N 3.05 0.00 0.00 -0.72 2.10 -1.03 0.19 116.57 120.16 1r85 h LYS 25 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1r85 h LYS 25 Cb 0.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1r85 h LYS 25 CO 0.00 0.02 -0.66 0.09 -2.00 0.00 0.00 179.45 176.90 1r85 n ASN 26 N -3.24 0.65 -0.12 7.07 3.02 -1.26 -4.54 115.26 116.84 1r85 n ASN 26 Ca -0.02 -0.47 -0.25 0.00 -0.03 0.00 0.00 54.58 53.81 1r85 n ASN 26 Cb 0.15 0.48 -0.10 0.00 -0.61 0.00 0.00 39.78 39.70 1r85 n ASN 26 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1r85 n GLU 27 N -1.51 0.57 -3.54 3.52 -0.58 0.54 -5.05 120.64 114.60 1r85 n GLU 27 Ca 0.05 0.39 -0.07 0.00 -0.42 0.00 0.00 57.16 57.11 1r85 n GLU 27 Cb 0.34 -1.59 -0.02 0.00 -0.57 0.00 0.00 31.44 29.59 1r85 n GLU 27 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 1r85 s PHE 28 N -2.46 -0.27 0.78 -0.32 -0.12 -0.55 -4.75 117.98 110.29 1r85 s PHE 28 Ca -0.34 0.16 -0.11 0.00 -0.05 0.00 0.00 56.93 56.59 1r85 s PHE 28 Cb 0.11 0.53 0.06 0.00 -0.63 0.00 0.00 43.02 43.09 1r85 s PHE 28 CO 0.52 -0.45 1.09 0.95 -0.05 0.00 0.00 175.22 177.27 1r85 s THR 29 N -2.91 3.32 -0.18 -4.49 -4.23 -0.70 -4.32 115.64 102.13 1r85 s THR 29 Ca 0.07 0.43 0.01 0.00 -1.18 0.00 0.00 61.69 61.01 1r85 s THR 29 Cb -0.01 -2.98 0.03 0.00 1.34 0.00 0.00 72.50 70.87 1r85 s THR 29 CO -0.07 -0.56 -0.18 -0.63 -0.54 0.00 0.00 174.62 172.64 1r85 s ILE 30 N -2.96 1.97 0.40 2.99 -1.09 -1.26 -1.14 121.20 120.12 1r85 s ILE 30 Ca 0.61 -0.97 0.07 0.00 -2.23 0.00 0.00 60.65 58.14 1r85 s ILE 30 Cb -0.16 -1.83 -0.07 0.00 -1.58 0.00 0.00 42.46 38.81 1r85 s ILE 30 CO 0.56 0.45 0.02 -0.83 -1.23 0.00 0.00 174.94 173.91 1r85 s GLY 31 N 1.31 2.43 0.01 6.18 0.00 0.10 -0.99 107.32 116.37 1r85 s GLY 31 Ca 0.03 -2.25 -0.00 0.00 0.00 0.00 0.00 44.72 42.51 1r85 s GLY 31 CO -0.12 -2.06 -0.02 0.00 0.00 0.00 0.00 173.10 170.90 1r85 s ALA 32 N -2.68 0.08 0.00 3.20 0.00 -0.96 -0.87 121.76 120.54 1r85 s ALA 32 Ca 0.36 -0.42 -0.17 0.00 0.00 0.00 0.00 51.96 51.73 1r85 s ALA 32 Cb 0.08 0.11 -0.06 0.00 0.00 0.00 0.00 23.12 23.25 1r85 s ALA 32 CO 0.18 -0.11 0.48 0.00 0.00 0.00 0.00 175.76 176.31 1r85 s ALA 33 N -1.03 3.62 0.06 0.00 0.00 -0.77 -1.96 121.76 121.68 1r85 s ALA 33 Ca -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1r85 s ALA 33 Cb -0.07 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 1r85 s ALA 33 CO -0.01 0.36 -0.04 0.14 0.00 0.00 0.00 175.76 176.21 1r85 s VAL 34 N -0.77 0.38 0.04 0.00 -7.23 -0.20 -3.82 120.40 108.80 1r85 s VAL 34 Ca 0.26 -1.79 0.04 0.00 -1.81 0.00 0.00 61.98 58.68 1r85 s VAL 34 Cb -0.17 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 1r85 s VAL 34 CO 0.15 -0.92 -0.07 -1.61 -0.31 0.00 0.00 175.10 172.34 1r85 s GLU 35 N -3.71 2.45 0.43 4.82 0.41 -1.26 -0.73 118.70 121.10 1r85 s GLU 35 Ca 0.07 -0.81 0.17 0.00 -0.41 0.00 0.00 54.97 53.99 1r85 s GLU 35 Cb 0.06 -2.46 1.08 0.00 -1.78 0.00 0.00 34.13 31.03 1r85 s GLU 35 CO -0.08 0.57 1.89 -1.35 -0.49 0.00 0.00 175.26 175.80 1r85 h PRO 36 N 4.18 0.39 0.00 0.39 0.11 -1.99 -0.61 132.00 134.47 1r85 h PRO 36 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1r85 h PRO 36 Cb 1.17 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1r85 h PRO 36 CO 0.54 0.26 -0.12 0.10 -0.21 0.00 0.00 178.00 178.57 1r85 h TYR 37 N 0.40 0.00 0.00 0.65 -0.00 -2.00 0.11 116.97 116.13 1r85 h TYR 37 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 59.14 1r85 h TYR 37 Cb 1.04 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.76 1r85 h TYR 37 CO -0.00 0.12 -0.03 1.96 -0.00 0.00 0.00 178.16 180.20 1r85 h GLN 38 N 0.00 0.00 0.00 0.10 4.20 -1.49 -0.03 115.11 117.89 1r85 h GLN 38 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1r85 h GLN 38 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1r85 h GLN 38 CO 0.02 0.03 0.00 1.28 -0.67 0.00 0.00 178.83 179.49 1r85 n LEU 39 N -3.22 0.00 -0.69 1.46 4.77 0.39 -2.29 117.00 117.41 1r85 n LEU 39 Ca -0.01 0.17 0.08 0.00 -0.03 0.00 0.00 56.01 56.21 1r85 n LEU 39 Cb 0.21 -0.17 0.11 0.00 -2.33 0.00 0.00 43.42 41.24 1r85 n LEU 39 CO 0.25 -0.02 0.55 0.00 -1.33 0.00 0.00 177.39 176.84 1r85 n GLN 40 N -1.17 1.64 -3.66 3.23 6.02 -0.03 -4.90 117.38 118.52 1r85 n GLN 40 Ca 0.16 -1.67 -0.37 0.00 -0.01 0.00 0.00 57.00 55.11 1r85 n GLN 40 Cb 0.16 -1.31 -0.11 0.00 1.02 0.00 0.00 30.24 30.00 1r85 n GLN 40 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1r85 s ASN 41 N -1.19 5.77 0.19 1.08 3.84 -0.97 -5.01 114.94 118.65 1r85 s ASN 41 Ca 0.22 -0.05 -0.13 0.00 0.21 0.00 0.00 52.86 53.11 1r85 s ASN 41 Cb 0.14 -2.06 0.20 0.00 -0.55 0.00 0.00 41.25 38.98 1r85 s ASN 41 CO 0.20 -0.03 1.69 -0.08 -2.79 0.00 0.00 177.10 176.09 1r85 h GLU 42 N 8.19 0.15 -0.46 0.43 4.57 -1.92 -1.46 114.58 124.08 1r85 h GLU 42 Ca -0.36 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 57.70 1r85 h GLU 42 Cb 1.18 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1r85 h GLU 42 CO 0.57 0.10 -0.15 0.87 -1.18 0.00 0.00 179.01 179.22 1r85 h LYS 43 N 0.15 0.92 -0.56 1.92 1.57 -1.95 -0.92 116.57 117.70 1r85 h LYS 43 Ca 0.26 -0.37 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1r85 h LYS 43 Cb 0.39 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1r85 h LYS 43 CO -0.40 1.03 -0.04 -0.44 -0.57 0.00 0.00 179.45 179.02 1r85 h ASP 44 N 0.76 0.98 -0.42 0.86 3.32 -1.72 0.09 116.42 120.30 1r85 h ASP 44 Ca 0.11 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 1r85 h ASP 44 Cb 0.71 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1r85 h ASP 44 CO 0.05 1.06 0.13 0.58 -1.72 0.00 0.00 179.24 179.34 1r85 h VAL 45 N 0.91 1.22 -0.46 -1.35 2.07 -1.16 0.07 116.25 117.56 1r85 h VAL 45 Ca 0.16 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1r85 h VAL 45 Cb 0.58 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1r85 h VAL 45 CO 0.04 0.26 0.03 1.56 0.02 0.00 0.00 177.57 179.48 1r85 h GLN 46 N 0.54 0.73 -0.33 1.57 4.20 -0.91 -0.78 115.11 120.14 1r85 h GLN 46 Ca 0.13 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1r85 h GLN 46 Cb 0.27 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1r85 h GLN 46 CO -0.00 0.72 0.20 0.52 -0.67 0.00 0.00 178.83 179.60 1r85 h MET 47 N 0.69 0.44 -0.61 1.46 2.86 -0.62 0.66 114.93 119.81 1r85 h MET 47 Ca 0.14 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1r85 h MET 47 Cb 0.38 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1r85 h MET 47 CO 0.01 0.32 0.35 -0.07 1.06 0.00 0.00 176.91 178.58 1r85 h LEU 48 N 0.43 0.75 -0.88 1.22 3.38 -0.57 -1.08 115.31 118.56 1r85 h LEU 48 Ca 0.12 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1r85 h LEU 48 Cb -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1r85 h LEU 48 CO -0.02 0.61 -0.30 0.11 0.09 0.00 0.00 178.44 178.93 1r85 h LYS 49 N 0.83 0.48 0.18 1.13 1.57 -0.99 -2.75 116.57 117.02 1r85 h LYS 49 Ca 0.22 -0.20 -0.31 0.00 -1.87 0.00 0.00 60.65 58.49 1r85 h LYS 49 Cb 0.01 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.32 1r85 h LYS 49 CO -0.04 0.73 -1.44 -0.09 -0.57 0.00 0.00 179.45 178.04 1r85 h ARG 50 N 0.42 0.38 0.00 3.15 2.43 -0.50 -3.41 114.38 116.84 1r85 h ARG 50 Ca 0.05 -0.64 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1r85 h ARG 50 Cb 0.73 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1r85 h ARG 50 CO 0.06 1.29 -0.77 0.72 -1.51 0.00 0.00 179.97 179.76 1r85 n HIS 51 N -3.59 0.00 -4.66 2.20 8.25 -0.44 -4.48 115.22 112.51 1r85 n HIS 51 Ca -0.15 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.04 1r85 n HIS 51 Cb 1.06 -0.07 -0.14 0.00 1.12 0.00 0.00 29.99 31.96 1r85 n HIS 51 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1r85 s PHE 52 N -2.00 2.00 -0.07 4.41 0.08 -1.04 -1.20 117.98 120.17 1r85 s PHE 52 Ca 0.00 -0.39 0.10 0.00 0.12 0.00 0.00 56.93 56.76 1r85 s PHE 52 Cb 0.05 -1.17 0.16 0.00 -0.57 0.00 0.00 43.02 41.48 1r85 s PHE 52 CO 0.27 0.14 1.08 0.27 -0.10 0.00 0.00 175.22 176.87 1r85 n ASN 53 N 1.65 1.28 -3.81 1.36 0.23 -0.16 -4.74 115.26 111.08 1r85 n ASN 53 Ca -0.17 -2.58 -0.12 0.00 -0.53 0.00 0.00 54.58 51.17 1r85 n ASN 53 Cb 0.53 -0.32 -0.09 0.00 -2.08 0.00 0.00 39.78 37.81 1r85 n ASN 53 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1r85 s SER 54 N -2.01 -0.11 0.05 0.53 0.15 -1.12 -1.27 113.70 109.91 1r85 s SER 54 Ca 0.17 0.01 -0.02 0.00 0.70 0.00 0.00 55.95 56.81 1r85 s SER 54 Cb 0.15 0.29 -0.03 0.00 -1.71 0.00 0.00 66.02 64.72 1r85 s SER 54 CO 0.02 -0.38 -0.00 -0.51 1.20 0.00 0.00 173.24 173.56 1r85 s ILE 55 N -1.21 0.19 -0.01 6.45 2.07 0.19 -2.27 121.20 126.60 1r85 s ILE 55 Ca -0.13 -1.52 -0.12 0.00 -1.41 0.00 0.00 60.65 57.47 1r85 s ILE 55 Cb -0.06 -1.20 0.02 0.00 0.13 0.00 0.00 42.46 41.35 1r85 s ILE 55 CO 0.03 -0.84 0.25 0.54 -1.91 0.00 0.00 174.94 173.00 1r85 s VAL 56 N -3.30 0.06 -0.15 4.00 0.11 -0.83 -1.25 120.40 119.04 1r85 s VAL 56 Ca 0.01 -0.53 -0.24 0.00 -2.93 0.00 0.00 61.98 58.29 1r85 s VAL 56 Cb 0.03 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 1r85 s VAL 56 CO -0.08 -0.29 0.79 0.00 -3.33 0.00 0.00 175.10 172.19 1r85 s ALA 57 N -1.27 3.48 0.25 1.54 0.00 -1.26 -1.03 121.76 123.46 1r85 s ALA 57 Ca -0.13 0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1r85 s ALA 57 Cb -0.06 -3.15 0.34 0.00 0.00 0.00 0.00 23.12 20.25 1r85 s ALA 57 CO 0.03 -0.53 1.88 0.93 0.00 0.00 0.00 175.76 178.07 1r85 h GLU 58 N 7.24 1.10 0.00 0.00 5.08 -1.24 -3.42 114.58 123.34 1r85 h GLU 58 Ca -0.32 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1r85 h GLU 58 Cb 1.15 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1r85 h GLU 58 CO 0.81 0.72 0.00 0.09 -1.00 0.00 0.00 179.01 179.64 1r85 n ASN 59 N -4.53 0.00 -0.09 1.42 3.02 -1.26 -4.93 115.26 108.89 1r85 n ASN 59 Ca 0.13 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.81 1r85 n ASN 59 Cb 0.14 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.02 1r85 n ASN 59 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1r85 n VAL 60 N -0.25 0.02 0.17 2.41 0.24 -1.26 -2.61 118.33 117.05 1r85 n VAL 60 Ca 0.00 -0.05 0.08 0.00 -2.04 0.00 0.00 64.34 62.32 1r85 n VAL 60 Cb 0.00 -0.25 0.14 0.00 -1.47 0.00 0.00 33.84 32.26 1r85 n VAL 60 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1r85 n MET 61 N -0.70 2.02 -1.55 7.34 2.81 -1.26 -4.42 117.12 121.36 1r85 n MET 61 Ca 0.19 -1.85 -0.33 0.00 -1.81 0.00 0.00 57.70 53.89 1r85 n MET 61 Cb 0.13 -1.33 0.07 0.00 -0.71 0.00 0.00 33.22 31.39 1r85 n MET 61 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1r85 s LYS 62 N -1.12 2.42 0.26 0.03 1.02 -1.07 -3.10 119.74 118.16 1r85 s LYS 62 Ca 0.25 1.55 -0.02 0.00 0.02 0.00 0.00 55.97 57.77 1r85 s LYS 62 Cb 0.15 -1.89 0.49 0.00 -0.52 0.00 0.00 37.83 36.06 1r85 s LYS 62 CO 0.20 -1.58 1.76 -1.35 -0.92 0.00 0.00 175.35 173.46 1r85 h PRO 63 N -0.23 0.58 0.00 -1.68 0.11 -1.69 -0.58 132.00 128.52 1r85 h PRO 63 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1r85 h PRO 63 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1r85 h PRO 63 CO 0.51 0.39 0.00 0.97 -0.21 0.00 0.00 178.00 179.66 1r85 h ILE 64 N 0.60 0.00 0.01 4.15 2.10 -1.66 0.05 117.51 122.76 1r85 h ILE 64 Ca 0.44 -0.72 -0.20 0.00 1.08 0.00 0.00 64.86 65.45 1r85 h ILE 64 Cb 0.61 1.72 -0.01 0.00 -1.09 0.00 0.00 36.82 38.04 1r85 h ILE 64 CO -0.35 0.00 -0.91 0.28 -1.08 0.00 0.00 178.15 176.08 1r85 h SER 65 N 0.00 0.26 0.10 2.19 0.02 -1.41 -3.24 113.55 111.46 1r85 h SER 65 Ca 0.00 -0.22 -0.30 0.00 -0.84 0.00 0.00 61.79 60.44 1r85 h SER 65 Cb 0.72 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1r85 h SER 65 CO 0.00 1.04 -1.57 0.40 -1.14 0.00 0.00 176.83 175.56 1r85 h ILE 66 N 0.10 0.89 -2.08 3.27 1.08 -0.96 -3.40 117.51 116.40 1r85 h ILE 66 Ca -0.05 -2.35 -0.57 0.00 -0.39 0.00 0.00 64.86 61.50 1r85 h ILE 66 Cb 1.56 2.57 -0.40 0.00 -3.07 0.00 0.00 36.82 37.48 1r85 h ILE 66 CO 0.14 0.70 -0.94 1.67 -0.69 0.00 0.00 178.15 179.03 1r85 n GLN 67 N -3.87 1.27 0.23 2.37 7.27 -0.03 -0.59 117.38 124.04 1r85 n GLN 67 Ca -0.28 -3.68 0.10 0.00 0.07 0.00 0.00 57.00 53.20 1r85 n GLN 67 Cb 0.91 -1.56 0.57 0.00 2.41 0.00 0.00 30.24 32.58 1r85 n GLN 67 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1r85 h PRO 68 N 4.11 0.00 -5.55 3.69 0.13 -1.64 -3.42 132.00 129.33 1r85 h PRO 68 Ca 0.12 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.78 1r85 h PRO 68 Cb 0.81 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.71 1r85 h PRO 68 CO 0.58 0.21 -0.80 -1.21 -0.23 0.00 0.00 178.00 176.54 1r85 s GLU 69 N -4.05 0.96 0.11 0.86 2.02 -1.26 -4.81 118.70 112.53 1r85 s GLU 69 Ca -0.02 -0.92 -0.31 0.00 0.02 0.00 0.00 54.97 53.74 1r85 s GLU 69 Cb 0.13 -1.03 -0.10 0.00 0.10 0.00 0.00 34.13 33.23 1r85 s GLU 69 CO 0.63 0.24 1.74 -2.00 0.02 0.00 0.00 175.26 175.89 1r85 s GLU 70 N -1.50 4.16 0.00 1.61 2.12 -1.26 -0.89 118.70 122.94 1r85 s GLU 70 Ca 0.02 2.48 0.00 0.00 0.36 0.00 0.00 54.97 57.83 1r85 s GLU 70 Cb -0.09 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.76 1r85 s GLU 70 CO 0.02 -0.78 0.00 0.41 -0.54 0.00 0.00 175.26 174.37 1r85 n GLY 71 N 4.10 1.20 3.24 -1.50 0.00 -1.26 -5.01 105.19 105.96 1r85 n GLY 71 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1r85 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r85 s LYS 72 N -0.40 2.53 -0.18 1.61 1.02 -0.07 -5.06 119.74 119.18 1r85 s LYS 72 Ca 0.00 -1.55 -0.08 0.00 0.02 0.00 0.00 55.97 54.35 1r85 s LYS 72 Cb 0.00 -3.79 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 1r85 s LYS 72 CO 0.00 -1.01 0.09 -0.06 -0.92 0.00 0.00 175.35 173.45 1r85 s PHE 73 N 1.39 3.33 -0.51 3.18 0.40 -1.26 -3.74 117.98 120.77 1r85 s PHE 73 Ca 0.04 0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.59 1r85 s PHE 73 Cb -0.24 -2.10 0.13 0.00 0.51 0.00 0.00 43.02 41.33 1r85 s PHE 73 CO 0.01 0.24 0.26 -0.80 0.70 0.00 0.00 175.22 175.64 1r85 s ASN 74 N 0.27 4.67 0.00 1.36 0.01 0.24 -4.90 114.94 116.59 1r85 s ASN 74 Ca 0.06 -2.76 0.25 0.00 -0.71 0.00 0.00 52.86 49.69 1r85 s ASN 74 Cb -0.12 -1.70 0.45 0.00 0.41 0.00 0.00 41.25 40.29 1r85 s ASN 74 CO -0.01 -0.31 1.40 0.49 -1.51 0.00 0.00 177.10 177.17 1r85 n PHE 75 N 3.49 0.00 -0.04 2.20 3.72 -1.26 -4.51 117.46 121.06 1r85 n PHE 75 Ca 0.05 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.37 1r85 n PHE 75 Cb 0.36 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 1r85 n PHE 75 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1r85 h GLU 76 N 3.73 -0.00 -0.15 -1.08 4.81 -1.97 0.23 114.58 120.15 1r85 h GLU 76 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1r85 h GLU 76 Cb 0.82 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 1r85 h GLU 76 CO 0.00 -0.00 -0.14 1.96 -0.73 0.00 0.00 179.01 180.10 1r85 h GLN 77 N -0.00 0.36 -0.82 1.92 1.08 -1.92 -2.62 115.11 113.12 1r85 h GLN 77 Ca 0.10 -0.19 0.06 0.00 -1.45 0.00 0.00 58.65 57.18 1r85 h GLN 77 Cb 0.15 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.53 1r85 h GLN 77 CO -0.21 0.74 0.50 0.00 -0.95 0.00 0.00 178.83 178.90 1r85 h ALA 78 N 0.62 1.12 -0.65 3.87 0.00 -1.72 -1.79 119.26 120.71 1r85 h ALA 78 Ca 0.02 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1r85 h ALA 78 Cb 0.67 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1r85 h ALA 78 CO 0.04 0.22 0.43 -0.44 0.00 0.00 0.00 179.25 179.50 1r85 h ASP 79 N 0.90 0.61 -0.48 0.00 3.32 -0.44 -1.79 116.42 118.55 1r85 h ASP 79 Ca 0.36 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.35 1r85 h ASP 79 Cb 0.18 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1r85 h ASP 79 CO -0.18 0.41 0.10 0.03 -1.72 0.00 0.00 179.24 177.88 1r85 h ARG 80 N 0.70 0.84 -0.28 3.56 3.08 -0.93 0.74 114.38 122.08 1r85 h ARG 80 Ca 0.27 -0.18 -0.18 0.00 0.07 0.00 0.00 59.98 59.96 1r85 h ARG 80 Cb 0.19 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1r85 h ARG 80 CO -0.08 0.77 -0.52 0.82 -1.07 0.00 0.00 179.97 179.89 1r85 h ILE 81 N 0.80 1.28 -0.47 2.04 2.04 -1.25 -2.51 117.51 119.44 1r85 h ILE 81 Ca 0.17 -1.72 -0.02 0.00 1.00 0.00 0.00 64.86 64.30 1r85 h ILE 81 Cb 0.33 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1r85 h ILE 81 CO 0.00 0.56 0.22 0.58 0.00 0.00 0.00 178.15 179.51 1r85 h VAL 82 N 0.64 1.19 -0.49 1.67 2.07 -1.11 -1.08 116.25 119.14 1r85 h VAL 82 Ca 0.02 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1r85 h VAL 82 Cb 1.12 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1r85 h VAL 82 CO 0.11 0.21 0.31 0.50 0.02 0.00 0.00 177.57 178.73 1r85 h LYS 83 N 0.62 0.61 -0.42 1.57 3.64 -0.84 -1.04 116.57 120.70 1r85 h LYS 83 Ca 0.16 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1r85 h LYS 83 Cb 0.13 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1r85 h LYS 83 CO -0.02 0.40 0.18 0.35 -2.27 0.00 0.00 179.45 178.10 1r85 h PHE 84 N 0.63 0.62 -0.02 1.91 3.57 -1.29 -1.39 116.94 120.97 1r85 h PHE 84 Ca 0.19 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1r85 h PHE 84 Cb -0.04 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 1r85 h PHE 84 CO -0.05 0.52 -0.06 0.00 -2.23 0.00 0.00 178.31 176.49 1r85 h ALA 85 N 1.03 -0.05 -0.86 2.41 0.00 -0.91 -1.86 119.26 119.03 1r85 h ALA 85 Ca 0.14 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1r85 h ALA 85 Cb 0.15 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1r85 h ALA 85 CO -0.01 -0.55 0.56 0.87 0.00 0.00 0.00 179.25 180.12 1r85 h LYS 86 N -0.10 1.10 0.00 0.00 1.57 -1.10 0.30 116.57 118.34 1r85 h LYS 86 Ca 0.03 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1r85 h LYS 86 Cb 0.14 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1r85 h LYS 86 CO -0.08 0.73 -0.11 0.00 -0.57 0.00 0.00 179.45 179.42 1r85 h ALA 87 N 1.33 1.21 -0.22 3.86 0.00 -0.91 -2.94 119.26 121.58 1r85 h ALA 87 Ca 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1r85 h ALA 87 Cb -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1r85 h ALA 87 CO -0.09 0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.40 1r85 n ASN 88 N -3.53 3.07 -1.91 0.00 3.02 -0.68 -4.98 115.26 110.25 1r85 n ASN 88 Ca -0.01 -2.51 -0.15 0.00 -0.03 0.00 0.00 54.58 51.88 1r85 n ASN 88 Cb 0.25 -0.34 0.01 0.00 -0.61 0.00 0.00 39.78 39.09 1r85 n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r85 n GLY 89 N -0.25 -0.22 3.85 7.41 0.00 -0.38 -5.00 105.19 110.60 1r85 n GLY 89 Ca 0.14 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1r85 n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r85 s MET 90 N -4.99 3.68 0.84 1.61 -1.94 -0.04 -4.93 119.30 113.53 1r85 s MET 90 Ca 0.09 0.12 -0.12 0.00 -1.71 0.00 0.00 55.69 54.06 1r85 s MET 90 Cb -0.04 -3.21 0.10 0.00 2.01 0.00 0.00 34.83 33.69 1r85 s MET 90 CO 0.11 0.72 1.17 -0.51 -0.01 0.00 0.00 175.02 176.49 1r85 s ASP 91 N -0.99 3.48 -0.03 3.03 1.01 -0.40 -4.53 116.67 118.24 1r85 s ASP 91 Ca 0.19 2.23 0.05 0.00 0.71 0.00 0.00 52.55 55.72 1r85 s ASP 91 Cb -0.14 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.21 1r85 s ASP 91 CO 0.08 -2.74 -0.17 -0.63 0.21 0.00 0.00 175.17 171.92 1r85 s ILE 92 N -2.43 1.41 -0.02 0.77 1.01 -1.26 -0.64 121.20 120.04 1r85 s ILE 92 Ca 0.69 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 60.61 1r85 s ILE 92 Cb -0.25 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1r85 s ILE 92 CO 0.53 0.40 0.03 -0.13 0.00 0.00 0.00 174.94 175.78 1r85 s ARG 93 N -0.15 2.94 -0.34 2.79 0.52 -0.38 -2.55 118.95 121.78 1r85 s ARG 93 Ca 0.01 -0.51 -0.16 0.00 -0.52 0.00 0.00 55.73 54.55 1r85 s ARG 93 Cb -0.09 -2.78 -0.01 0.00 0.52 0.00 0.00 34.95 32.59 1r85 s ARG 93 CO 0.01 0.65 0.40 0.12 0.02 0.00 0.00 175.30 176.50 1r85 s PHE 94 N -1.08 3.20 -0.36 -0.53 2.19 0.77 -4.34 117.98 117.84 1r85 s PHE 94 Ca 0.19 0.05 -0.02 0.00 0.33 0.00 0.00 56.93 57.48 1r85 s PHE 94 Cb -0.12 -2.73 0.08 0.00 -1.31 0.00 0.00 43.02 38.95 1r85 s PHE 94 CO 0.10 -0.45 0.10 -1.58 1.83 0.00 0.00 175.22 175.22 1r85 s HIS 95 N 2.11 3.44 0.00 10.12 5.65 -1.26 -1.17 115.29 134.19 1r85 s HIS 95 Ca 0.14 -2.15 -0.27 0.00 0.25 0.00 0.00 55.06 53.03 1r85 s HIS 95 Cb -0.16 -2.68 0.06 0.00 -1.18 0.00 0.00 32.58 28.62 1r85 s HIS 95 CO 0.12 -0.88 0.61 -0.08 -0.65 0.00 0.00 174.74 173.85 1r85 s THR 96 N 1.19 0.01 0.17 0.89 -1.32 -1.18 -3.03 115.64 112.37 1r85 s THR 96 Ca 0.02 -0.08 0.04 0.00 -1.21 0.00 0.00 61.69 60.46 1r85 s THR 96 Cb -0.21 -0.97 -0.15 0.00 -1.51 0.00 0.00 72.50 69.67 1r85 s THR 96 CO -0.03 -0.05 1.39 -0.07 -2.21 0.00 0.00 174.62 173.66 1r85 h LEU 97 N 2.86 0.19 -7.48 9.08 3.38 -1.30 -3.34 115.31 118.69 1r85 h LEU 97 Ca -0.29 -0.16 -0.26 0.00 0.09 0.00 0.00 57.88 57.26 1r85 h LEU 97 Cb 1.18 -0.06 -0.32 0.00 0.09 0.00 0.00 40.66 41.55 1r85 h LEU 97 CO 0.39 0.97 -0.65 -0.69 0.09 0.00 0.00 178.44 178.55 1r85 s VAL 98 N -3.17 -0.05 -0.19 1.22 1.01 -1.00 -4.77 120.40 113.44 1r85 s VAL 98 Ca -0.02 0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 1r85 s VAL 98 Cb 0.10 -0.17 0.08 0.00 0.00 0.00 0.00 36.38 36.40 1r85 s VAL 98 CO 0.82 0.07 0.76 0.86 0.00 0.00 0.00 175.10 177.61 1r85 s TRP 99 N 1.05 -0.69 -1.33 5.22 -0.00 -1.26 -1.51 118.94 120.42 1r85 s TRP 99 Ca -0.08 1.52 0.25 0.00 -0.00 0.00 0.00 56.10 57.79 1r85 s TRP 99 Cb -0.11 0.33 1.22 0.00 -0.00 0.00 0.00 33.47 34.92 1r85 s TRP 99 CO -0.04 -0.44 1.84 -2.39 -0.00 0.00 0.00 176.95 175.92 1r85 n HIS 100 N 1.96 0.00 -4.23 5.86 1.44 -1.26 -4.56 115.22 114.43 1r85 n HIS 100 Ca -0.15 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.32 1r85 n HIS 100 Cb 0.56 -0.33 -0.07 0.00 0.12 0.00 0.00 29.99 30.27 1r85 n HIS 100 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1r85 s SER 101 N -2.67 4.84 -1.23 4.39 0.01 -1.26 -4.66 113.70 113.12 1r85 s SER 101 Ca 0.21 -0.48 -0.12 0.00 1.31 0.00 0.00 55.95 56.87 1r85 s SER 101 Cb 0.17 -1.02 0.02 0.00 0.21 0.00 0.00 66.02 65.39 1r85 s SER 101 CO 0.40 0.02 0.23 0.00 0.41 0.00 0.00 173.24 174.30 1r85 n GLN 102 N -0.73 -0.70 -5.07 12.44 6.02 -1.26 -4.88 117.38 123.21 1r85 n GLN 102 Ca -0.08 0.04 -0.32 0.00 -0.01 0.00 0.00 57.00 56.63 1r85 n GLN 102 Cb 0.58 -2.66 -0.16 0.00 1.02 0.00 0.00 30.24 29.02 1r85 n GLN 102 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1r85 s VAL 103 N -4.02 2.46 0.01 5.09 1.01 -1.26 -1.81 120.40 121.87 1r85 s VAL 103 Ca 0.17 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 1r85 s VAL 103 Cb -0.09 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1r85 s VAL 103 CO 0.86 0.56 1.19 -2.84 0.00 0.00 0.00 175.10 174.87 1r85 s PRO 104 N 0.06 4.40 0.51 2.72 0.02 -1.26 -4.92 135.00 136.54 1r85 s PRO 104 Ca -0.08 1.71 0.33 0.00 0.02 0.00 0.00 61.00 62.98 1r85 s PRO 104 Cb -0.15 -3.45 1.45 0.00 0.02 0.00 0.00 34.50 32.36 1r85 s PRO 104 CO 0.05 -0.33 1.99 1.96 -0.33 0.00 0.00 177.00 180.34 1r85 h GLN 105 N 7.11 0.00 0.00 5.54 1.08 -1.97 -2.38 115.11 124.49 1r85 h GLN 105 Ca -0.38 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.81 1r85 h GLN 105 Cb 1.19 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.62 1r85 h GLN 105 CO 0.84 0.00 -0.03 0.11 -0.95 0.00 0.00 178.83 178.80 1r85 h TRP 106 N 0.00 0.00 -0.89 2.96 5.08 -1.92 -1.93 115.95 119.25 1r85 h TRP 106 Ca 0.00 0.00 0.14 0.00 1.08 0.00 0.00 58.89 60.11 1r85 h TRP 106 Cb 0.41 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.50 1r85 h TRP 106 CO 0.00 0.03 0.57 0.74 -1.28 0.00 0.00 178.44 178.50 1r85 h PHE 107 N 0.00 0.82 -0.51 0.12 0.04 -1.83 -2.81 116.94 112.77 1r85 h PHE 107 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1r85 h PHE 107 Cb 0.06 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.95 1r85 h PHE 107 CO 0.00 0.31 0.00 1.19 -0.60 0.00 0.00 178.31 179.21 1r85 n PHE 108 N -4.56 1.60 -3.82 -0.55 3.72 -0.73 -4.79 117.46 108.33 1r85 n PHE 108 Ca 0.17 -0.72 -0.37 0.00 -0.05 0.00 0.00 57.45 56.48 1r85 n PHE 108 Cb 0.46 -0.38 -0.06 0.00 -0.94 0.00 0.00 39.48 38.56 1r85 n PHE 108 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1r85 s LEU 109 N -2.47 4.40 0.00 4.37 1.43 -1.06 -1.04 118.68 124.30 1r85 s LEU 109 Ca 0.50 0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 54.08 1r85 s LEU 109 Cb 0.36 -2.23 0.08 0.00 0.03 0.00 0.00 46.19 44.43 1r85 s LEU 109 CO 0.17 0.37 0.40 -0.90 0.23 0.00 0.00 176.35 176.62 1r85 n ASP 110 N 1.82 -0.29 0.29 2.29 5.68 0.20 -4.81 116.55 121.72 1r85 n ASP 110 Ca -0.18 -1.05 0.18 0.00 -0.50 0.00 0.00 54.79 53.25 1r85 n ASP 110 Cb 0.54 -0.32 0.79 0.00 -1.14 0.00 0.00 41.12 41.00 1r85 n ASP 110 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1r85 h LYS 111 N 0.00 0.00 -0.42 0.11 1.79 -1.99 -0.14 116.57 115.92 1r85 h LYS 111 Ca -0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1r85 h LYS 111 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1r85 h LYS 111 CO 0.09 0.01 0.00 0.39 -1.08 0.00 0.00 179.45 178.87 1r85 n GLU 112 N -3.12 1.97 -1.12 3.15 4.71 -1.26 -4.91 120.64 120.05 1r85 n GLU 112 Ca -0.00 -1.48 -0.04 0.00 -0.01 0.00 0.00 57.16 55.63 1r85 n GLU 112 Cb 0.26 -1.33 -0.02 0.00 -1.01 0.00 0.00 31.44 29.34 1r85 n GLU 112 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1r85 n GLY 113 N 1.14 0.69 3.92 0.62 0.00 -0.07 -5.04 105.19 106.45 1r85 n GLY 113 Ca 0.14 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 1r85 n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r85 s LYS 114 N -1.82 3.30 0.03 1.61 0.00 -1.26 -4.77 119.74 116.83 1r85 s LYS 114 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 55.97 54.87 1r85 s LYS 114 Cb 0.00 -2.82 -0.07 0.00 0.00 0.00 0.00 37.83 34.94 1r85 s LYS 114 CO 0.00 0.44 1.64 -2.14 0.00 0.00 0.00 175.35 175.29 1r85 s PRO 115 N -3.75 4.20 0.45 1.78 0.02 -1.26 0.61 135.00 137.05 1r85 s PRO 115 Ca 0.34 2.26 0.16 0.00 0.02 0.00 0.00 61.00 63.78 1r85 s PRO 115 Cb -0.09 -3.73 1.10 0.00 0.02 0.00 0.00 34.50 31.79 1r85 s PRO 115 CO 0.28 -0.76 1.97 0.52 -0.33 0.00 0.00 177.00 178.68 1r85 h MET 116 N 8.71 0.33 0.00 5.54 2.86 -1.41 -1.64 114.93 129.33 1r85 h MET 116 Ca -0.41 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1r85 h MET 116 Cb 1.19 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.78 1r85 h MET 116 CO 0.93 0.22 0.00 -0.39 1.06 0.00 0.00 176.91 178.73 1r85 h VAL 117 N 0.34 0.00 -0.00 -2.22 -1.51 -1.90 -1.87 116.25 109.10 1r85 h VAL 117 Ca 0.30 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.66 1r85 h VAL 117 Cb 0.70 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 1r85 h VAL 117 CO -0.08 0.00 -0.41 0.59 -1.23 0.00 0.00 177.57 176.44 1r85 n ASN 118 N -2.76 0.79 -4.74 4.19 3.02 -0.62 -4.91 115.26 110.23 1r85 n ASN 118 Ca -0.01 -0.60 -0.41 0.00 -0.03 0.00 0.00 54.58 53.52 1r85 n ASN 118 Cb 0.12 0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.50 1r85 n ASN 118 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1r85 s GLU 119 N -2.76 4.19 -0.01 3.52 2.56 -0.70 -4.91 118.70 120.59 1r85 s GLU 119 Ca 0.17 2.44 0.08 0.00 0.00 0.00 0.00 54.97 57.65 1r85 s GLU 119 Cb 0.18 -3.07 -0.12 0.00 2.00 0.00 0.00 34.13 33.12 1r85 s GLU 119 CO 0.62 -0.54 0.16 0.25 -0.56 0.00 0.00 175.26 175.19 1r85 n THR 120 N 2.47 0.03 -2.49 -1.70 -2.24 -1.26 -4.90 114.28 104.20 1r85 n THR 120 Ca 0.08 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1r85 n THR 120 Cb 0.39 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 1r85 n THR 120 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1r85 s ASP 121 N -2.93 7.14 0.13 3.42 -1.08 -1.26 -4.89 116.67 117.19 1r85 s ASP 121 Ca -0.03 1.94 -0.18 0.00 -0.52 0.00 0.00 52.55 53.76 1r85 s ASP 121 Cb 0.05 -2.58 -0.03 0.00 -1.46 0.00 0.00 42.92 38.90 1r85 s ASP 121 CO 0.32 -0.43 1.77 -0.65 0.52 0.00 0.00 175.17 176.70 1r85 h PRO 122 N 6.81 0.41 -0.72 4.34 0.11 -1.98 0.53 132.00 141.50 1r85 h PRO 122 Ca -0.41 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1r85 h PRO 122 Cb 1.21 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1r85 h PRO 122 CO 0.80 0.30 0.35 0.28 -0.21 0.00 0.00 178.00 179.53 1r85 h VAL 123 N 0.39 1.23 0.00 3.15 2.07 -2.00 -0.43 116.25 120.66 1r85 h VAL 123 Ca 0.11 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 1r85 h VAL 123 Cb -0.00 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1r85 h VAL 123 CO -0.02 0.27 -0.41 0.11 0.02 0.00 0.00 177.57 177.55 1r85 h LYS 124 N 1.01 0.00 -0.31 1.57 1.57 -1.81 -1.73 116.57 116.87 1r85 h LYS 124 Ca 0.25 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.86 1r85 h LYS 124 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1r85 h LYS 124 CO -0.03 0.41 -0.46 0.00 -0.57 0.00 0.00 179.45 178.80 1r85 h ARG 125 N 0.00 0.83 -0.50 3.15 3.08 0.79 -1.29 114.38 120.44 1r85 h ARG 125 Ca -0.00 -0.47 -0.10 0.00 0.07 0.00 0.00 59.98 59.48 1r85 h ARG 125 Cb 0.88 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1r85 h ARG 125 CO 0.05 1.11 -0.07 1.49 -1.07 0.00 0.00 179.97 181.48 1r85 h GLU 126 N 0.66 0.90 -0.76 0.04 4.57 -0.74 -0.76 114.58 118.50 1r85 h GLU 126 Ca 0.04 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1r85 h GLU 126 Cb 1.04 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.51 1r85 h GLU 126 CO 0.10 0.94 0.49 1.96 -1.18 0.00 0.00 179.01 181.32 1r85 h GLN 127 N 0.82 1.00 -0.68 1.92 4.20 -1.19 -2.21 115.11 118.97 1r85 h GLN 127 Ca 0.14 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 1r85 h GLN 127 Cb 0.58 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1r85 h GLN 127 CO 0.04 0.68 0.21 -0.91 -0.67 0.00 0.00 178.83 178.17 1r85 h ASN 128 N 1.03 0.97 -0.23 1.46 2.35 -0.80 -1.53 115.58 118.83 1r85 h ASN 128 Ca 0.28 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1r85 h ASN 128 Cb -0.10 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.01 1r85 h ASN 128 CO -0.06 0.90 0.14 0.50 -1.65 0.00 0.00 177.43 177.27 1r85 h LYS 129 N 1.00 0.28 -0.48 0.81 3.64 -0.82 0.49 116.57 121.48 1r85 h LYS 129 Ca 0.22 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 1r85 h LYS 129 Cb 0.28 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1r85 h LYS 129 CO -0.01 0.19 -0.01 1.96 -2.27 0.00 0.00 179.45 179.31 1r85 h GLN 130 N 0.29 0.81 0.08 1.90 1.08 -1.15 0.60 115.11 118.71 1r85 h GLN 130 Ca 0.09 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1r85 h GLN 130 Cb -0.02 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1r85 h GLN 130 CO -0.03 0.81 -0.04 1.25 -0.95 0.00 0.00 178.83 179.87 1r85 h LEU 131 N 0.75 -0.09 -0.70 1.46 5.85 -1.05 -0.52 115.31 121.00 1r85 h LEU 131 Ca 0.14 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1r85 h LEU 131 Cb 0.46 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1r85 h LEU 131 CO 0.02 0.06 0.41 0.25 -0.34 0.00 0.00 178.44 178.84 1r85 h LEU 132 N -0.24 0.85 -1.25 2.25 5.85 -0.61 0.11 115.31 122.27 1r85 h LEU 132 Ca -0.01 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 1r85 h LEU 132 Cb 0.20 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1r85 h LEU 132 CO 0.02 0.67 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.38 1r85 h LEU 133 N 0.96 0.05 -0.27 2.25 3.38 -0.71 0.58 115.31 121.54 1r85 h LEU 133 Ca 0.25 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.05 1r85 h LEU 133 Cb -0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1r85 h LEU 133 CO -0.05 0.40 -0.44 0.50 0.09 0.00 0.00 178.44 178.95 1r85 h LYS 134 N 0.05 0.78 -0.95 1.13 3.64 -0.26 -0.06 116.57 120.90 1r85 h LYS 134 Ca 0.00 -0.47 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1r85 h LYS 134 Cb 0.64 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.46 1r85 h LYS 134 CO 0.05 1.10 0.63 0.00 -2.27 0.00 0.00 179.45 178.95 1r85 h ARG 135 N 0.53 1.25 -0.43 1.90 3.08 -0.46 -0.81 114.38 119.43 1r85 h ARG 135 Ca 0.02 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1r85 h ARG 135 Cb 1.04 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1r85 h ARG 135 CO 0.10 0.83 0.27 1.25 -1.07 0.00 0.00 179.97 181.35 1r85 h LEU 136 N 1.29 0.51 -0.84 3.04 5.85 -0.73 -0.75 115.31 123.68 1r85 h LEU 136 Ca 0.35 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 1r85 h LEU 136 Cb -0.14 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1r85 h LEU 136 CO -0.07 0.40 0.44 -0.08 -0.34 0.00 0.00 178.44 178.79 1r85 h GLU 137 N 0.57 1.18 -0.20 1.25 4.81 -0.60 -1.97 114.58 119.62 1r85 h GLU 137 Ca 0.15 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1r85 h GLU 137 Cb -0.02 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1r85 h GLU 137 CO -0.03 0.88 -0.38 1.15 -0.73 0.00 0.00 179.01 179.90 1r85 h THR 138 N 1.17 1.30 -0.05 0.32 2.02 -0.83 0.17 112.91 117.01 1r85 h THR 138 Ca 0.29 -1.52 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 1r85 h THR 138 Cb 0.07 1.56 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1r85 h THR 138 CO -0.04 0.47 0.03 -0.74 0.37 0.00 0.00 175.52 175.61 1r85 h HIS 139 N 0.38 0.06 -0.24 3.16 -0.00 -0.85 -1.75 115.15 115.92 1r85 h HIS 139 Ca 0.04 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 1r85 h HIS 139 Cb 0.85 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.23 1r85 h HIS 139 CO 0.03 0.10 -0.05 0.82 -0.00 0.00 0.00 177.93 178.82 1r85 h ILE 140 N 0.01 1.28 -0.43 6.26 2.04 -1.21 -2.65 117.51 122.80 1r85 h ILE 140 Ca 0.02 -1.04 0.09 0.00 1.00 0.00 0.00 64.86 64.92 1r85 h ILE 140 Cb 0.05 1.48 -0.08 0.00 -0.74 0.00 0.00 36.82 37.54 1r85 h ILE 140 CO -0.00 0.32 -0.06 0.50 0.00 0.00 0.00 178.15 178.91 1r85 h LYS 141 N 0.19 0.05 -0.51 2.37 3.64 -0.61 0.14 116.57 121.84 1r85 h LYS 141 Ca 0.06 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1r85 h LYS 141 Cb 0.50 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1r85 h LYS 141 CO 0.02 0.03 0.18 1.15 -2.27 0.00 0.00 179.45 178.56 1r85 h THR 142 N 0.05 1.22 -0.15 1.00 2.02 -1.22 0.35 112.91 116.18 1r85 h THR 142 Ca 0.21 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 1r85 h THR 142 Cb 0.32 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1r85 h THR 142 CO -0.41 0.27 -0.13 0.40 0.37 0.00 0.00 175.52 176.02 1r85 h ILE 143 N 0.69 1.34 -0.20 3.11 2.04 -1.09 -2.79 117.51 120.60 1r85 h ILE 143 Ca 0.17 -1.28 -0.16 0.00 1.00 0.00 0.00 64.86 64.59 1r85 h ILE 143 Cb 0.24 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1r85 h ILE 143 CO -0.01 0.38 -0.53 0.58 0.00 0.00 0.00 178.15 178.57 1r85 h VAL 144 N -0.01 1.32 0.00 1.67 2.07 -0.65 -1.82 116.25 118.84 1r85 h VAL 144 Ca 0.03 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.76 1r85 h VAL 144 Cb 0.66 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1r85 h VAL 144 CO 0.03 0.55 -0.11 -0.33 0.02 0.00 0.00 177.57 177.74 1r85 h GLU 145 N 0.44 0.00 0.18 1.57 5.08 -0.95 -0.34 114.58 120.56 1r85 h GLU 145 Ca 0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.07 1r85 h GLU 145 Cb 1.07 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.34 1r85 h GLU 145 CO 0.10 0.11 -1.33 -0.09 -1.00 0.00 0.00 179.01 176.80 1r85 h ARG 146 N 0.00 0.40 -0.12 2.33 2.43 -1.08 -3.40 114.38 114.94 1r85 h ARG 146 Ca -0.00 -0.66 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 1r85 h ARG 146 Cb 0.20 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1r85 h ARG 146 CO 0.01 1.31 0.00 0.66 -1.51 0.00 0.00 179.97 180.45 1r85 n TYR 147 N -3.62 0.15 0.29 2.20 4.01 -0.75 -4.71 117.16 114.73 1r85 n TYR 147 Ca -0.12 -0.27 0.16 0.00 -0.16 0.00 0.00 57.90 57.51 1r85 n TYR 147 Cb 1.05 -0.02 0.90 0.00 -0.31 0.00 0.00 39.34 40.96 1r85 n TYR 147 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1r85 h LYS 148 N 1.27 0.00 -0.01 -0.72 2.10 -1.27 -0.92 116.57 117.02 1r85 h LYS 148 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1r85 h LYS 148 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1r85 h LYS 148 CO 0.00 0.04 -0.28 -0.25 -2.00 0.00 0.00 179.45 176.96 1r85 n ASP 149 N -3.60 1.33 -0.05 7.07 8.00 -1.26 -4.38 116.55 123.66 1r85 n ASP 149 Ca -0.02 -1.10 -0.06 0.00 0.71 0.00 0.00 54.79 54.32 1r85 n ASP 149 Cb 0.14 0.20 -0.07 0.00 -0.02 0.00 0.00 41.12 41.37 1r85 n ASP 149 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1r85 n ASP 150 N -0.40 2.82 -4.25 -2.24 8.00 -0.47 -4.99 116.55 115.01 1r85 n ASP 150 Ca 0.12 -0.02 -0.35 0.00 0.71 0.00 0.00 54.79 55.25 1r85 n ASP 150 Cb 0.38 0.46 -0.14 0.00 -0.02 0.00 0.00 41.12 41.80 1r85 n ASP 150 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1r85 s ILE 151 N -2.23 3.11 0.03 0.53 1.01 -0.49 -4.62 121.20 118.54 1r85 s ILE 151 Ca -0.08 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 1r85 s ILE 151 Cb 0.03 -2.49 -0.29 0.00 0.01 0.00 0.00 42.46 39.72 1r85 s ILE 151 CO 0.35 0.32 0.96 0.50 0.00 0.00 0.00 174.94 177.07 1r85 h LYS 152 N 8.07 0.29 -5.37 2.79 3.64 -1.88 -3.45 116.57 120.66 1r85 h LYS 152 Ca -0.38 -0.49 -0.67 0.00 -1.27 0.00 0.00 60.65 57.84 1r85 h LYS 152 Cb 1.14 0.18 -0.30 0.00 -0.41 0.00 0.00 32.23 32.84 1r85 h LYS 152 CO 0.60 1.19 -0.82 0.71 -2.27 0.00 0.00 179.45 178.85 1r85 s TYR 153 N -2.63 2.68 -0.11 1.91 2.02 -1.06 -0.09 117.35 120.07 1r85 s TYR 153 Ca -0.07 -0.83 0.01 0.00 -0.37 0.00 0.00 57.07 55.81 1r85 s TYR 153 Cb 0.07 -1.77 0.02 0.00 -0.40 0.00 0.00 41.96 39.88 1r85 s TYR 153 CO 0.87 -0.30 -0.14 -1.58 -1.57 0.00 0.00 175.55 172.83 1r85 s TRP 154 N 0.30 1.94 -1.05 2.71 0.52 -0.02 -0.16 118.94 123.18 1r85 s TRP 154 Ca -0.14 -0.94 -0.23 0.00 0.02 0.00 0.00 56.10 54.82 1r85 s TRP 154 Cb -0.17 -1.42 0.05 0.00 -1.15 0.00 0.00 33.47 30.79 1r85 s TRP 154 CO 0.07 -0.50 1.49 -0.51 0.02 0.00 0.00 176.95 177.52 1r85 s ASP 155 N 1.11 6.50 0.06 2.95 1.01 -0.31 -0.10 116.67 127.90 1r85 s ASP 155 Ca -0.04 -1.54 -0.18 0.00 0.71 0.00 0.00 52.55 51.50 1r85 s ASP 155 Cb -0.14 -2.57 -0.12 0.00 1.01 0.00 0.00 42.92 41.10 1r85 s ASP 155 CO -0.03 -1.51 1.39 0.58 0.21 0.00 0.00 175.17 175.81 1r85 h VAL 156 N 6.68 1.32 -3.91 -1.27 2.07 -1.48 -1.26 116.25 118.40 1r85 h VAL 156 Ca 0.22 -1.30 -0.45 0.00 0.82 0.00 0.00 66.70 66.00 1r85 h VAL 156 Cb 0.99 1.72 -0.21 0.00 -1.52 0.00 0.00 31.29 32.28 1r85 h VAL 156 CO 1.43 0.39 -0.79 0.68 0.02 0.00 0.00 177.57 179.30 1r85 s VAL 157 N -4.40 1.28 -0.08 2.57 -7.23 -1.22 -2.38 120.40 108.93 1r85 s VAL 157 Ca -0.14 -1.41 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 1r85 s VAL 157 Cb 0.06 -1.24 0.02 0.00 0.56 0.00 0.00 36.38 35.79 1r85 s VAL 157 CO 0.77 -0.20 -0.10 0.21 -0.31 0.00 0.00 175.10 175.47 1r85 s ASN 158 N -1.85 1.91 -1.19 4.85 2.47 -0.57 -1.71 114.94 118.85 1r85 s ASN 158 Ca 0.01 -0.30 -0.05 0.00 0.42 0.00 0.00 52.86 52.94 1r85 s ASN 158 Cb -0.10 -0.82 0.01 0.00 -1.45 0.00 0.00 41.25 38.89 1r85 s ASN 158 CO 0.03 -0.03 1.03 -0.62 -3.72 0.00 0.00 177.10 173.79 1r85 n GLU 159 N 4.27 -6.88 0.00 0.43 1.02 -0.48 -4.48 120.64 114.53 1r85 n GLU 159 Ca -0.19 0.76 0.13 0.00 -0.02 0.00 0.00 57.16 57.84 1r85 n GLU 159 Cb 0.51 -5.59 0.35 0.00 -0.02 0.00 0.00 31.44 26.69 1r85 n GLU 159 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1r85 n VAL 160 N -4.48 0.00 -4.21 2.62 0.24 -1.26 -4.76 118.33 106.47 1r85 n VAL 160 Ca -0.08 -0.14 -0.35 0.00 -2.04 0.00 0.00 64.34 61.74 1r85 n VAL 160 Cb 0.59 0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 33.32 1r85 n VAL 160 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1r85 s VAL 161 N -2.50 4.46 0.63 3.34 1.01 -1.26 -1.12 120.40 124.96 1r85 s VAL 161 Ca 0.24 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 1r85 s VAL 161 Cb 0.19 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1r85 s VAL 161 CO 0.52 0.52 1.04 -0.83 0.00 0.00 0.00 175.10 176.35 1r85 s GLY 162 N -0.09 1.65 0.45 4.51 0.00 0.21 -4.64 107.32 109.41 1r85 s GLY 162 Ca 0.05 -0.15 0.31 0.00 0.00 0.00 0.00 44.72 44.93 1r85 s GLY 162 CO 0.02 0.14 1.94 -0.55 0.00 0.00 0.00 173.10 174.65 1r85 h ASP 163 N -0.37 0.00 -0.11 1.64 3.32 -1.97 -0.82 116.42 118.10 1r85 h ASP 163 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1r85 h ASP 163 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1r85 h ASP 163 CO 0.62 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.24 1r85 n ASP 164 N -2.67 1.44 0.00 6.45 5.68 -1.26 -4.41 116.55 121.78 1r85 n ASP 164 Ca -0.01 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 1r85 n ASP 164 Cb 0.15 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1r85 n ASP 164 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r85 n GLY 165 N 1.11 0.76 3.87 6.12 0.00 -0.31 -4.86 105.19 111.88 1r85 n GLY 165 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1r85 n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r85 s LYS 166 N -0.31 3.05 0.51 1.61 -0.14 -1.26 -4.76 119.74 118.43 1r85 s LYS 166 Ca 0.00 -1.00 -0.23 0.00 -1.36 0.00 0.00 55.97 53.37 1r85 s LYS 166 Cb 0.00 -2.65 -0.06 0.00 -1.68 0.00 0.00 37.83 33.43 1r85 s LYS 166 CO 0.00 0.36 1.36 1.28 -0.76 0.00 0.00 175.35 177.58 1r85 n LEU 167 N -1.28 5.19 -4.72 3.17 4.77 -1.26 0.65 117.00 123.52 1r85 n LEU 167 Ca -0.07 1.03 -0.42 0.00 -0.03 0.00 0.00 56.01 56.52 1r85 n LEU 167 Cb 0.58 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.07 1r85 n LEU 167 CO 0.43 -0.50 1.11 -0.60 -1.33 0.00 0.00 177.39 176.50 1r85 s ARG 168 N -2.68 4.29 -0.80 3.23 3.52 -0.28 -4.44 118.95 121.80 1r85 s ARG 168 Ca 0.67 2.15 -0.05 0.00 -0.13 0.00 0.00 55.73 58.38 1r85 s ARG 168 Cb -0.44 -3.22 0.06 0.00 -1.56 0.00 0.00 34.95 29.80 1r85 s ARG 168 CO 0.53 -0.48 2.67 -1.71 -0.81 0.00 0.00 175.30 175.49 1r85 n ASN 169 N 3.94 7.09 -4.81 -2.12 5.15 -1.26 -4.60 115.26 118.65 1r85 n ASN 169 Ca 0.12 -3.13 -0.29 0.00 -0.60 0.00 0.00 54.58 50.68 1r85 n ASN 169 Cb 0.41 -1.30 0.11 0.00 -0.53 0.00 0.00 39.78 38.47 1r85 n ASN 169 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1r85 s SER 170 N 0.49 4.13 0.48 1.20 1.04 -1.26 -4.72 113.70 115.06 1r85 s SER 170 Ca 0.58 1.12 0.21 0.00 0.48 0.00 0.00 55.95 58.34 1r85 s SER 170 Cb 0.30 -1.78 1.24 0.00 0.10 0.00 0.00 66.02 65.88 1r85 s SER 170 CO -0.16 -2.18 1.95 -0.65 0.98 0.00 0.00 173.24 173.18 1r85 h PRO 171 N -1.24 0.19 -0.35 4.02 0.11 -1.95 0.15 132.00 132.92 1r85 h PRO 171 Ca -0.48 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.69 1r85 h PRO 171 Cb 1.30 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 1r85 h PRO 171 CO 0.61 0.13 -0.23 -1.49 -0.21 0.00 0.00 178.00 176.81 1r85 h TRP 172 N 0.20 -0.60 -0.06 0.65 4.06 -1.94 0.11 115.95 118.37 1r85 h TRP 172 Ca 0.33 0.05 -0.25 0.00 2.06 0.00 0.00 58.89 61.08 1r85 h TRP 172 Cb 1.01 0.32 0.02 0.00 -1.00 0.00 0.00 29.16 29.51 1r85 h TRP 172 CO -0.00 -0.31 -0.94 -0.92 -3.56 0.00 0.00 178.44 172.72 1r85 h TYR 173 N -0.18 1.01 -0.68 0.49 3.20 -1.41 -0.83 116.97 118.57 1r85 h TYR 173 Ca 0.18 -0.51 0.01 0.00 3.14 0.00 0.00 58.73 61.54 1r85 h TYR 173 Cb 0.46 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1r85 h TYR 173 CO -0.44 1.34 0.45 1.96 -1.64 0.00 0.00 178.16 179.83 1r85 h GLN 174 N 0.43 0.90 0.24 1.82 4.20 -0.83 0.24 115.11 122.11 1r85 h GLN 174 Ca -0.10 -0.05 -0.34 0.00 0.06 0.00 0.00 58.65 58.22 1r85 h GLN 174 Cb 1.58 -0.20 0.03 0.00 0.30 0.00 0.00 27.48 29.19 1r85 h GLN 174 CO 0.18 0.59 -1.55 0.82 -0.67 0.00 0.00 178.83 178.20 1r85 h ILE 175 N 0.92 1.19 -0.00 2.54 2.04 -0.80 -3.41 117.51 120.00 1r85 h ILE 175 Ca 0.25 -2.65 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1r85 h ILE 175 Cb -0.11 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1r85 h ILE 175 CO -0.05 0.82 -0.13 0.00 0.00 0.00 0.00 178.15 178.79 1r85 n ALA 176 N -2.76 2.35 -0.34 1.87 0.00 -0.32 -4.38 120.51 116.93 1r85 n ALA 176 Ca -0.19 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1r85 n ALA 176 Cb 1.10 -0.10 -0.00 0.00 0.00 0.00 0.00 19.45 20.45 1r85 n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r85 n GLY 177 N 1.06 -1.73 0.34 0.00 0.00 0.85 -3.57 105.19 102.14 1r85 n GLY 177 Ca 0.01 -1.29 0.21 0.00 0.00 0.00 0.00 46.02 44.95 1r85 n GLY 177 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1r85 h ILE 178 N -0.02 0.05 0.00 -0.61 2.10 -1.92 -2.68 117.51 114.44 1r85 h ILE 178 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 1r85 h ILE 178 Cb 0.02 0.93 -0.00 0.00 -1.09 0.00 0.00 36.82 36.67 1r85 h ILE 178 CO 0.00 0.00 -0.01 0.44 -1.08 0.00 0.00 178.15 177.50 1r85 h ASP 179 N 0.00 0.00 0.39 2.19 3.32 -1.96 -2.14 116.42 118.22 1r85 h ASP 179 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1r85 h ASP 179 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1r85 h ASP 179 CO -0.00 0.01 -0.39 0.10 -1.72 0.00 0.00 179.24 177.23 1r85 h TYR 180 N 0.00 0.00 -0.22 4.55 -0.00 -1.66 -0.87 116.97 118.77 1r85 h TYR 180 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.67 1r85 h TYR 180 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.78 1r85 h TYR 180 CO 0.00 0.39 -0.09 0.82 -0.00 0.00 0.00 178.16 179.29 1r85 h ILE 181 N 0.00 1.30 -0.29 -0.90 2.04 -1.64 -1.89 117.51 116.13 1r85 h ILE 181 Ca -0.00 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 1r85 h ILE 181 Cb 0.70 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1r85 h ILE 181 CO 0.05 0.35 0.14 0.11 0.00 0.00 0.00 178.15 178.79 1r85 h LYS 182 N 0.16 0.43 -0.65 2.37 1.57 -1.49 -2.51 116.57 116.44 1r85 h LYS 182 Ca 0.05 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1r85 h LYS 182 Cb 0.57 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1r85 h LYS 182 CO 0.03 0.41 0.25 0.28 -0.57 0.00 0.00 179.45 179.85 1r85 h VAL 183 N 0.34 1.23 -0.01 0.50 2.07 -1.19 -0.47 116.25 118.72 1r85 h VAL 183 Ca 0.10 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1r85 h VAL 183 Cb 0.13 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1r85 h VAL 183 CO -0.01 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.87 1r85 h ALA 184 N 1.34 0.01 -0.59 1.67 0.00 -1.05 -0.39 119.26 120.25 1r85 h ALA 184 Ca 0.22 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1r85 h ALA 184 Cb 0.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1r85 h ALA 184 CO -0.02 -0.42 0.09 0.74 0.00 0.00 0.00 179.25 179.64 1r85 h PHE 185 N -0.11 1.04 -0.69 0.00 0.04 -1.32 -2.08 116.94 113.82 1r85 h PHE 185 Ca 0.00 -0.15 -0.07 0.00 2.80 0.00 0.00 57.97 60.56 1r85 h PHE 185 Cb 0.13 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 1r85 h PHE 185 CO -0.03 0.90 0.17 1.96 -0.60 0.00 0.00 178.31 180.71 1r85 h GLN 186 N 0.87 1.10 -0.41 1.51 1.08 -0.93 -2.11 115.11 116.22 1r85 h GLN 186 Ca 0.18 -0.25 -0.08 0.00 -1.45 0.00 0.00 58.65 57.04 1r85 h GLN 186 Cb 0.43 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1r85 h GLN 186 CO 0.01 0.96 -0.07 0.00 -0.95 0.00 0.00 178.83 178.78 1r85 h ALA 187 N 1.14 0.56 -0.56 3.87 0.00 -0.97 0.29 119.26 123.59 1r85 h ALA 187 Ca 0.22 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1r85 h ALA 187 Cb 0.36 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1r85 h ALA 187 CO 0.00 0.40 0.26 0.00 0.00 0.00 0.00 179.25 179.92 1r85 h ALA 188 N 0.86 0.73 -0.40 0.00 0.00 -1.19 -1.76 119.26 117.49 1r85 h ALA 188 Ca 0.11 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1r85 h ALA 188 Cb 0.58 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1r85 h ALA 188 CO 0.03 -0.11 -0.31 -0.09 0.00 0.00 0.00 179.25 178.78 1r85 h ARG 189 N 0.50 0.92 -0.19 0.00 9.65 -1.21 -0.52 114.38 123.53 1r85 h ARG 189 Ca 0.26 -0.45 -0.01 0.00 -1.10 0.00 0.00 59.98 58.68 1r85 h ARG 189 Cb 0.22 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1r85 h ARG 189 CO -0.21 1.11 0.10 -0.22 2.80 0.00 0.00 179.97 183.55 1r85 h LYS 190 N 0.74 0.27 0.00 0.20 3.64 -0.53 -0.61 116.57 120.28 1r85 h LYS 190 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1r85 h LYS 190 Cb 0.90 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1r85 h LYS 190 CO 0.08 0.28 -0.59 1.88 -2.27 0.00 0.00 179.45 178.83 1r85 h TYR 191 N 0.18 0.00 0.00 1.91 0.05 -1.35 -3.37 116.97 114.40 1r85 h TYR 191 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.85 1r85 h TYR 191 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1r85 h TYR 191 CO -0.03 0.00 -1.25 0.41 -1.05 0.00 0.00 178.16 176.24 1r85 n GLY 192 N 1.16 -0.59 0.00 3.88 0.00 -0.21 -4.56 105.19 104.88 1r85 n GLY 192 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1r85 n GLY 192 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r85 n GLY 193 N 1.49 -1.07 0.12 -0.02 0.00 -0.24 -4.40 105.19 101.07 1r85 n GLY 193 Ca -0.00 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.52 1r85 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r85 n ASP 194 N -0.92 0.61 -0.21 1.61 10.43 -1.26 -3.32 116.55 123.49 1r85 n ASP 194 Ca 0.00 0.64 0.12 0.00 2.57 0.00 0.00 54.79 58.12 1r85 n ASP 194 Cb 0.00 -0.78 0.21 0.00 1.84 0.00 0.00 41.12 42.40 1r85 n ASP 194 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1r85 n ASN 195 N -2.17 1.09 -4.88 -2.24 3.02 -1.26 -4.82 115.26 104.00 1r85 n ASN 195 Ca 0.03 -0.87 -0.31 0.00 -0.03 0.00 0.00 54.58 53.39 1r85 n ASN 195 Cb 0.24 0.33 -0.05 0.00 -0.61 0.00 0.00 39.78 39.70 1r85 n ASN 195 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1r85 s ILE 196 N -2.68 4.95 -0.16 2.41 -4.36 -1.21 -4.96 121.20 115.20 1r85 s ILE 196 Ca 0.18 0.38 -0.04 0.00 -0.26 0.00 0.00 60.65 60.91 1r85 s ILE 196 Cb 0.18 -3.64 -0.03 0.00 1.25 0.00 0.00 42.46 40.22 1r85 s ILE 196 CO 0.62 -0.13 -0.03 -0.54 0.24 0.00 0.00 174.94 175.09 1r85 s LYS 197 N -2.99 3.69 -0.19 0.37 -0.14 0.87 -4.99 119.74 116.36 1r85 s LYS 197 Ca 0.47 -0.51 -0.04 0.00 -1.36 0.00 0.00 55.97 54.53 1r85 s LYS 197 Cb -0.11 -2.94 -0.02 0.00 -1.68 0.00 0.00 37.83 33.08 1r85 s LYS 197 CO 0.23 0.24 -0.03 -0.51 -0.76 0.00 0.00 175.35 174.52 1r85 s LEU 198 N 0.38 3.08 0.10 3.17 1.43 -1.26 -0.84 118.68 124.74 1r85 s LEU 198 Ca -0.04 -0.26 0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1r85 s LEU 198 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1r85 s LEU 198 CO 0.03 0.07 -0.24 -0.31 0.23 0.00 0.00 176.35 176.13 1r85 s TYR 199 N 0.96 2.07 -0.32 0.29 1.51 0.86 -0.25 117.35 122.48 1r85 s TYR 199 Ca 0.00 -0.40 -0.12 0.00 -1.01 0.00 0.00 57.07 55.55 1r85 s TYR 199 Cb -0.15 -1.15 -0.02 0.00 -0.11 0.00 0.00 41.96 40.53 1r85 s TYR 199 CO 0.01 0.24 0.20 1.41 -1.11 0.00 0.00 175.55 176.31 1r85 s MET 200 N -1.83 3.58 -0.11 -0.62 -2.45 -0.93 -1.28 119.30 115.66 1r85 s MET 200 Ca 0.10 -0.57 -0.04 0.00 -1.25 0.00 0.00 55.69 53.93 1r85 s MET 200 Cb -0.10 -3.70 -0.04 0.00 1.25 0.00 0.00 34.83 32.24 1r85 s MET 200 CO 0.05 -0.36 0.05 1.21 1.05 0.00 0.00 175.02 177.01 1r85 s ASN 201 N 1.71 5.58 0.21 1.11 2.47 -0.69 -0.62 114.94 124.71 1r85 s ASN 201 Ca 0.06 0.21 -0.20 0.00 0.42 0.00 0.00 52.86 53.35 1r85 s ASN 201 Cb -0.17 -1.71 0.04 0.00 -1.45 0.00 0.00 41.25 37.96 1r85 s ASN 201 CO 0.09 0.35 0.61 -0.62 -3.72 0.00 0.00 177.10 173.82 1r85 s ASP 202 N -0.71 -0.36 0.29 -4.21 -1.08 -0.22 -1.38 116.67 109.00 1r85 s ASP 202 Ca 0.12 -0.36 0.07 0.00 -0.52 0.00 0.00 52.55 51.85 1r85 s ASP 202 Cb -0.12 0.63 -0.03 0.00 -1.46 0.00 0.00 42.92 41.95 1r85 s ASP 202 CO 0.02 -1.12 0.32 -0.72 0.52 0.00 0.00 175.17 174.19 1r85 s TYR 203 N -3.85 3.13 -1.45 -5.34 1.13 -1.26 -0.79 117.35 108.93 1r85 s TYR 203 Ca 0.07 -0.16 -0.09 0.00 -1.41 0.00 0.00 57.07 55.48 1r85 s TYR 203 Cb -0.03 -1.67 0.04 0.00 -1.10 0.00 0.00 41.96 39.21 1r85 s TYR 203 CO -0.03 0.30 0.71 0.09 -2.51 0.00 0.00 175.55 174.11 1r85 n ASN 204 N -1.38 -5.13 0.19 -0.18 5.03 -1.26 -4.84 115.26 107.69 1r85 n ASN 204 Ca -0.05 -0.45 0.14 0.00 0.87 0.00 0.00 54.58 55.09 1r85 n ASN 204 Cb 0.58 -4.14 0.65 0.00 -1.02 0.00 0.00 39.78 35.85 1r85 n ASN 204 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1r85 h THR 205 N -1.54 0.00 0.00 3.41 1.35 -1.96 -2.13 112.91 112.04 1r85 h THR 205 Ca -0.51 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1r85 h THR 205 Cb 1.34 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1r85 h THR 205 CO 0.58 0.00 -0.33 -0.62 -0.25 0.00 0.00 175.52 174.90 1r85 n GLU 206 N -2.51 0.15 -3.70 4.72 4.71 -1.26 -4.25 120.64 118.50 1r85 n GLU 206 Ca 0.00 0.07 -0.35 0.00 -0.01 0.00 0.00 57.16 56.87 1r85 n GLU 206 Cb 0.17 -1.62 -0.08 0.00 -1.01 0.00 0.00 31.44 28.89 1r85 n GLU 206 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1r85 s VAL 207 N -3.08 5.39 0.41 2.62 1.01 -0.80 -4.85 120.40 121.11 1r85 s VAL 207 Ca 0.10 0.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.12 1r85 s VAL 207 Cb 0.15 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.95 1r85 s VAL 207 CO 0.65 0.41 0.88 -1.61 0.00 0.00 0.00 175.10 175.44 1r85 s GLU 208 N 0.54 4.10 0.00 2.72 0.41 -1.26 -0.79 118.70 124.41 1r85 s GLU 208 Ca 0.09 0.93 0.21 0.00 -0.41 0.00 0.00 54.97 55.78 1r85 s GLU 208 Cb -0.12 -2.26 0.93 0.00 -1.78 0.00 0.00 34.13 30.91 1r85 s GLU 208 CO -0.00 -0.01 1.64 -0.35 -0.49 0.00 0.00 175.26 176.04 1r85 n PRO 209 N -0.75 1.43 -0.20 0.39 -0.04 -1.26 -4.88 135.00 129.69 1r85 n PRO 209 Ca 0.06 -0.64 -0.02 0.00 -0.04 0.00 0.00 63.50 62.85 1r85 n PRO 209 Cb 0.54 -1.36 0.09 0.00 -0.04 0.00 0.00 33.50 32.72 1r85 n PRO 209 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1r85 h LYS 210 N 1.32 0.52 -0.06 0.54 3.64 -1.46 -2.37 116.57 118.71 1r85 h LYS 210 Ca 0.00 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1r85 h LYS 210 Cb 0.29 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1r85 h LYS 210 CO 0.00 0.34 -0.15 -0.09 -2.27 0.00 0.00 179.45 177.29 1r85 h ARG 211 N 0.53 -0.21 -0.08 1.90 2.43 -1.14 0.64 114.38 118.46 1r85 h ARG 211 Ca 0.28 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.38 1r85 h ARG 211 Cb 0.23 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1r85 h ARG 211 CO -0.21 -0.14 -0.31 1.15 -1.51 0.00 0.00 179.97 178.95 1r85 h THR 212 N -0.22 1.25 -0.43 0.20 2.02 -1.83 0.38 112.91 114.29 1r85 h THR 212 Ca 0.07 -1.20 -0.13 0.00 0.77 0.00 0.00 66.41 65.92 1r85 h THR 212 Cb 0.31 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1r85 h THR 212 CO -0.18 0.35 -0.26 0.00 0.37 0.00 0.00 175.52 175.80 1r85 h ALA 213 N 1.56 0.72 -0.23 6.16 0.00 -0.78 0.16 119.26 126.85 1r85 h ALA 213 Ca 0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1r85 h ALA 213 Cb 0.62 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1r85 h ALA 213 CO 0.04 0.66 0.04 -0.07 0.00 0.00 0.00 179.25 179.93 1r85 h LEU 214 N 0.78 0.36 -0.16 0.00 3.38 -0.47 -0.34 115.31 118.86 1r85 h LEU 214 Ca 0.09 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1r85 h LEU 214 Cb 0.82 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1r85 h LEU 214 CO 0.07 0.52 -0.11 0.22 0.09 0.00 0.00 178.44 179.23 1r85 h TYR 215 N 0.18 -0.27 -0.40 1.13 3.20 -0.76 -0.87 116.97 119.18 1r85 h TYR 215 Ca 0.07 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 1r85 h TYR 215 Cb 0.31 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1r85 h TYR 215 CO 0.02 -0.17 -0.06 -0.91 -1.64 0.00 0.00 178.16 175.40 1r85 h ASN 216 N -0.11 0.66 0.09 -2.11 2.35 -0.47 -1.83 115.58 114.16 1r85 h ASN 216 Ca 0.10 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1r85 h ASN 216 Cb 0.26 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1r85 h ASN 216 CO -0.23 0.77 -0.04 0.25 -1.65 0.00 0.00 177.43 176.53 1r85 h LEU 217 N 0.63 -0.10 -0.76 1.61 5.85 -0.76 -0.92 115.31 120.86 1r85 h LEU 217 Ca 0.12 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1r85 h LEU 217 Cb 0.48 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1r85 h LEU 217 CO 0.03 0.07 -0.57 0.58 -0.34 0.00 0.00 178.44 178.20 1r85 h VAL 218 N -0.27 1.39 -0.27 1.05 2.07 -1.00 -0.74 116.25 118.47 1r85 h VAL 218 Ca -0.01 -1.93 0.04 0.00 0.82 0.00 0.00 66.70 65.62 1r85 h VAL 218 Cb 0.22 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1r85 h VAL 218 CO 0.02 0.56 0.02 0.50 0.02 0.00 0.00 177.57 178.69 1r85 h LYS 219 N 0.11 0.10 -0.28 1.57 3.64 -1.28 -1.22 116.57 119.21 1r85 h LYS 219 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1r85 h LYS 219 Cb 1.04 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1r85 h LYS 219 CO 0.08 0.07 0.15 0.37 -2.27 0.00 0.00 179.45 177.85 1r85 h GLN 220 N 0.10 0.40 -0.83 1.90 4.15 -0.63 -0.83 115.11 119.36 1r85 h GLN 220 Ca 0.13 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.51 1r85 h GLN 220 Cb 0.16 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 1r85 h GLN 220 CO -0.20 0.35 0.55 -0.07 -1.93 0.00 0.00 178.83 177.53 1r85 h LEU 221 N 0.34 0.95 -0.24 -2.39 3.38 -0.97 -1.39 115.31 114.98 1r85 h LEU 221 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1r85 h LEU 221 Cb 0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1r85 h LEU 221 CO -0.02 0.68 0.06 0.11 0.09 0.00 0.00 178.44 179.37 1r85 h LYS 222 N 1.12 0.39 -0.11 1.13 1.57 -1.05 0.22 116.57 119.83 1r85 h LYS 222 Ca 0.31 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1r85 h LYS 222 Cb -0.11 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1r85 h LYS 222 CO -0.07 0.49 0.11 0.93 -0.57 0.00 0.00 179.45 180.34 1r85 h GLU 223 N 0.22 0.00 -0.16 3.15 5.08 -0.71 0.16 114.58 122.31 1r85 h GLU 223 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1r85 h GLU 223 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1r85 h GLU 223 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1r85 n GLU 224 N -3.90 1.68 -0.68 2.33 1.02 -0.56 -4.93 120.64 115.59 1r85 n GLU 224 Ca -0.00 -1.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.12 1r85 n GLU 224 Cb 0.22 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1r85 n GLU 224 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1r85 n GLY 225 N 1.10 0.67 3.70 0.62 0.00 0.54 -5.02 105.19 106.81 1r85 n GLY 225 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1r85 n GLY 225 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r85 s VAL 226 N -2.10 3.43 -0.54 1.61 1.01 -0.00 -4.95 120.40 118.85 1r85 s VAL 226 Ca 0.00 0.95 -0.27 0.00 0.00 0.00 0.00 61.98 62.65 1r85 s VAL 226 Cb 0.00 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.77 1r85 s VAL 226 CO 0.00 0.04 1.64 -2.16 0.00 0.00 0.00 175.10 174.61 1r85 s PRO 227 N 1.78 3.06 -0.07 2.72 0.04 -1.26 -4.30 135.00 136.98 1r85 s PRO 227 Ca 0.65 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1r85 s PRO 227 Cb -0.35 -4.23 0.02 0.00 0.04 0.00 0.00 34.50 29.98 1r85 s PRO 227 CO 0.29 -2.22 -0.05 -1.50 0.04 0.00 0.00 177.00 173.56 1r85 s ILE 228 N 7.27 0.69 -0.08 0.56 2.07 -1.26 -4.82 121.20 125.64 1r85 s ILE 228 Ca 0.62 -0.16 0.19 0.00 -1.41 0.00 0.00 60.65 59.89 1r85 s ILE 228 Cb -0.13 -0.72 -0.29 0.00 0.13 0.00 0.00 42.46 41.45 1r85 s ILE 228 CO 0.25 0.28 0.31 0.47 -1.91 0.00 0.00 174.94 174.34 1r85 n ASP 229 N 4.40 0.38 -3.65 4.50 8.00 0.66 -4.98 116.55 125.85 1r85 n ASP 229 Ca -0.19 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.26 1r85 n ASP 229 Cb 0.51 1.60 -0.01 0.00 -0.02 0.00 0.00 41.12 43.20 1r85 n ASP 229 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1r85 s GLY 230 N -4.66 -0.07 -0.11 0.44 0.00 -0.77 -1.50 107.32 100.64 1r85 s GLY 230 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1r85 s GLY 230 CO 0.82 0.17 -0.10 -0.42 0.00 0.00 0.00 173.10 173.56 1r85 s ILE 231 N -3.28 3.34 -0.24 0.90 -1.09 -0.41 -2.18 121.20 118.23 1r85 s ILE 231 Ca 0.13 -0.58 -0.14 0.00 -2.23 0.00 0.00 60.65 57.83 1r85 s ILE 231 Cb -0.04 -2.39 -0.04 0.00 -1.58 0.00 0.00 42.46 38.41 1r85 s ILE 231 CO 0.05 0.55 0.31 -0.83 -1.23 0.00 0.00 174.94 173.79 1r85 s GLY 232 N -0.09 1.98 -0.49 6.18 0.00 0.21 -1.49 107.32 113.61 1r85 s GLY 232 Ca -0.01 -0.76 -0.16 0.00 0.00 0.00 0.00 44.72 43.79 1r85 s GLY 232 CO 0.03 0.73 0.43 0.30 0.00 0.00 0.00 173.10 174.60 1r85 s HIS 233 N 1.50 3.25 0.29 1.90 0.09 0.22 -1.06 115.29 121.49 1r85 s HIS 233 Ca 0.14 -1.05 0.01 0.00 -0.00 0.00 0.00 55.06 54.16 1r85 s HIS 233 Cb -0.15 -3.38 0.55 0.00 -0.00 0.00 0.00 32.58 29.60 1r85 s HIS 233 CO 0.08 -0.87 1.86 1.96 -0.00 0.00 0.00 174.74 177.77 1r85 h GLN 234 N 8.80 0.98 -5.79 1.40 4.20 -1.26 -0.47 115.11 122.98 1r85 h GLN 234 Ca -0.29 -0.06 -0.37 0.00 0.06 0.00 0.00 58.65 57.99 1r85 h GLN 234 Cb 1.11 -0.22 0.14 0.00 0.30 0.00 0.00 27.48 28.80 1r85 h GLN 234 CO 0.93 0.65 -0.75 0.43 -0.67 0.00 0.00 178.83 179.42 1r85 n SER 235 N -4.56 -3.20 -4.57 1.46 7.64 -1.26 -1.49 113.62 107.65 1r85 n SER 235 Ca 0.17 -0.63 -0.41 0.00 1.01 0.00 0.00 58.87 59.00 1r85 n SER 235 Cb 0.30 -4.91 -0.02 0.00 -1.01 0.00 0.00 64.21 58.57 1r85 n SER 235 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1r85 s HIS 236 N -3.39 2.59 0.50 1.43 3.76 -1.26 -2.60 115.29 116.32 1r85 s HIS 236 Ca 0.19 -1.04 0.03 0.00 -0.15 0.00 0.00 55.06 54.09 1r85 s HIS 236 Cb -0.08 -4.71 -0.01 0.00 1.11 0.00 0.00 32.58 28.89 1r85 s HIS 236 CO 0.75 -1.90 0.09 0.96 -0.85 0.00 0.00 174.74 173.78 1r85 s ILE 237 N 4.84 1.39 0.51 0.60 -4.36 -0.79 -4.91 121.20 118.49 1r85 s ILE 237 Ca 0.48 -1.89 0.02 0.00 -0.26 0.00 0.00 60.65 59.01 1r85 s ILE 237 Cb 0.01 -2.28 0.02 0.00 1.25 0.00 0.00 42.46 41.46 1r85 s ILE 237 CO -0.05 0.00 0.19 0.00 0.24 0.00 0.00 174.94 175.32 1r85 n GLN 238 N -1.33 0.76 0.04 0.37 6.02 -0.05 -1.46 117.38 121.73 1r85 n GLN 238 Ca -0.14 -3.45 -0.05 0.00 -0.01 0.00 0.00 57.00 53.35 1r85 n GLN 238 Cb 0.66 0.67 0.16 0.00 1.02 0.00 0.00 30.24 32.75 1r85 n GLN 238 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1r85 h ILE 239 N 0.97 1.31 0.00 5.09 2.04 -1.83 -3.36 117.51 121.72 1r85 h ILE 239 Ca -0.37 -1.57 -0.24 0.00 1.00 0.00 0.00 64.86 63.67 1r85 h ILE 239 Cb 1.23 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 38.90 1r85 h ILE 239 CO 0.60 0.48 -1.91 0.61 0.00 0.00 0.00 178.15 177.94 1r85 n GLY 240 N -0.07 -0.48 3.54 5.37 0.00 -1.26 -4.80 105.19 107.49 1r85 n GLY 240 Ca -0.02 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1r85 n GLY 240 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1r85 s TRP 241 N -2.32 2.72 0.65 1.61 -0.00 -1.26 -3.99 118.94 116.35 1r85 s TRP 241 Ca -0.13 -0.15 -0.11 0.00 -0.00 0.00 0.00 56.10 55.71 1r85 s TRP 241 Cb 0.05 -1.50 -0.02 0.00 -0.00 0.00 0.00 33.47 32.00 1r85 s TRP 241 CO 0.47 0.35 1.04 -1.25 -0.00 0.00 0.00 176.95 177.57 1r85 s PRO 242 N -1.70 3.31 0.74 5.86 0.04 -1.26 -0.87 135.00 141.12 1r85 s PRO 242 Ca 0.18 0.84 -0.13 0.00 0.04 0.00 0.00 61.00 61.93 1r85 s PRO 242 Cb -0.11 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.43 1r85 s PRO 242 CO 0.09 -0.80 1.13 -1.54 0.04 0.00 0.00 177.00 175.92 1r85 s SER 243 N -4.00 4.47 0.31 6.66 1.04 -1.26 -4.83 113.70 116.10 1r85 s SER 243 Ca 0.56 2.04 -0.00 0.00 0.48 0.00 0.00 55.95 59.03 1r85 s SER 243 Cb -0.12 -2.55 0.50 0.00 0.10 0.00 0.00 66.02 63.94 1r85 s SER 243 CO 0.54 -2.06 1.94 -0.33 0.98 0.00 0.00 173.24 174.31 1r85 h GLU 244 N -0.61 0.93 -0.97 4.02 3.07 -1.98 -0.77 114.58 118.27 1r85 h GLU 244 Ca -0.46 -0.09 0.04 0.00 -0.50 0.00 0.00 59.36 58.35 1r85 h GLU 244 Cb 1.25 -0.19 -0.06 0.00 -0.84 0.00 0.00 28.75 28.92 1r85 h GLU 244 CO 0.51 0.67 0.63 0.00 -1.40 0.00 0.00 179.01 179.42 1r85 h ALA 245 N 1.48 1.29 0.00 3.43 0.00 -2.00 0.58 119.26 124.06 1r85 h ALA 245 Ca 0.24 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 1r85 h ALA 245 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1r85 h ALA 245 CO -0.04 0.50 -0.89 0.93 0.00 0.00 0.00 179.25 179.75 1r85 h GLU 246 N 1.21 0.22 -0.38 0.00 4.39 -1.74 -1.58 114.58 116.70 1r85 h GLU 246 Ca 0.39 -0.24 0.01 0.00 0.34 0.00 0.00 59.36 59.85 1r85 h GLU 246 Cb 0.02 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1r85 h GLU 246 CO -0.13 0.97 0.25 0.82 -1.16 0.00 0.00 179.01 179.76 1r85 h ILE 247 N 0.12 1.09 -0.31 3.13 2.04 -0.64 -2.01 117.51 120.94 1r85 h ILE 247 Ca -0.05 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1r85 h ILE 247 Cb 1.52 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 1r85 h ILE 247 CO 0.14 0.09 0.10 -0.08 0.00 0.00 0.00 178.15 178.40 1r85 h GLU 248 N 0.51 0.23 -0.97 2.37 4.81 -0.80 -0.64 114.58 120.09 1r85 h GLU 248 Ca 0.14 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.42 1r85 h GLU 248 Cb -0.05 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.21 1r85 h GLU 248 CO -0.04 0.15 0.63 -0.22 -0.73 0.00 0.00 179.01 178.80 1r85 h LYS 249 N 0.23 1.10 -0.09 1.92 3.64 -1.15 -1.38 116.57 120.84 1r85 h LYS 249 Ca 0.14 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1r85 h LYS 249 Cb 0.12 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1r85 h LYS 249 CO -0.15 0.72 -0.05 1.15 -2.27 0.00 0.00 179.45 178.85 1r85 h THR 250 N 1.13 1.33 -0.79 1.00 2.02 -0.61 -1.01 112.91 115.98 1r85 h THR 250 Ca 0.42 -1.10 -0.05 0.00 0.77 0.00 0.00 66.41 66.45 1r85 h THR 250 Cb 0.18 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 1r85 h THR 250 CO -0.16 0.31 0.31 0.40 0.37 0.00 0.00 175.52 176.74 1r85 h ILE 251 N -0.20 1.26 -0.66 3.11 2.04 -0.92 -2.10 117.51 120.04 1r85 h ILE 251 Ca 0.02 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 1r85 h ILE 251 Cb 0.51 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1r85 h ILE 251 CO 0.01 0.34 0.21 0.78 0.00 0.00 0.00 178.15 179.49 1r85 h ASN 252 N 1.15 0.93 0.15 1.72 2.35 -1.19 -0.56 115.58 120.13 1r85 h ASN 252 Ca 0.26 -0.16 -0.18 0.00 -0.55 0.00 0.00 56.30 55.68 1r85 h ASN 252 Cb 0.22 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1r85 h ASN 252 CO -0.02 0.87 -0.66 0.00 -1.65 0.00 0.00 177.43 175.96 1r85 h MET 253 N 0.96 0.48 -0.30 0.81 -0.00 -0.52 -0.66 114.93 115.70 1r85 h MET 253 Ca 0.21 -0.35 -0.16 0.00 -0.00 0.00 0.00 59.70 59.40 1r85 h MET 253 Cb 0.27 0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 31.93 1r85 h MET 253 CO -0.01 0.98 -0.46 0.74 -0.00 0.00 0.00 176.91 178.16 1r85 h PHE 254 N 0.34 0.97 -0.54 -0.10 0.04 -1.31 -2.57 116.94 113.77 1r85 h PHE 254 Ca -0.02 -0.31 0.02 0.00 2.80 0.00 0.00 57.97 60.46 1r85 h PHE 254 Cb 1.23 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 39.15 1r85 h PHE 254 CO 0.05 1.10 0.36 0.00 -0.60 0.00 0.00 178.31 179.21 1r85 h ALA 255 N 0.85 1.68 0.00 2.45 0.00 -0.86 -1.17 119.26 122.21 1r85 h ALA 255 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1r85 h ALA 255 Cb 1.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1r85 h ALA 255 CO 0.10 0.28 -0.05 0.00 0.00 0.00 0.00 179.25 179.58 1r85 h ALA 256 N 1.68 1.08 -0.02 0.00 0.00 -0.70 0.60 119.26 121.90 1r85 h ALA 256 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1r85 h ALA 256 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1r85 h ALA 256 CO -0.05 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1r85 n LEU 257 N -3.26 0.33 0.00 0.00 4.77 -0.46 -4.88 117.00 113.51 1r85 n LEU 257 Ca -0.01 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1r85 n LEU 257 Cb 0.23 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1r85 n LEU 257 CO 0.26 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1r85 n GLY 258 N 0.95 0.58 3.88 -0.72 0.00 0.20 -5.06 105.19 105.02 1r85 n GLY 258 Ca 0.19 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1r85 n GLY 258 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r85 s LEU 259 N 0.00 4.38 0.70 0.99 1.43 -1.12 -4.94 118.68 120.13 1r85 s LEU 259 Ca 0.00 0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 53.48 1r85 s LEU 259 Cb 0.00 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.77 1r85 s LEU 259 CO 0.00 0.31 1.10 -0.62 0.23 0.00 0.00 176.35 177.37 1r85 s ASP 260 N -1.51 4.89 -0.06 2.29 2.15 -0.56 -4.07 116.67 119.79 1r85 s ASP 260 Ca 0.23 1.92 0.04 0.00 0.43 0.00 0.00 52.55 55.18 1r85 s ASP 260 Cb -0.13 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1r85 s ASP 260 CO 0.13 -1.78 -0.19 0.20 -0.17 0.00 0.00 175.17 173.36 1r85 s ASN 261 N -2.91 2.44 0.03 -0.34 0.01 -0.92 -1.29 114.94 111.95 1r85 s ASN 261 Ca 0.65 -0.42 0.08 0.00 -0.71 0.00 0.00 52.86 52.46 1r85 s ASN 261 Cb -0.19 -0.88 -0.02 0.00 0.41 0.00 0.00 41.25 40.57 1r85 s ASN 261 CO 0.47 0.14 -0.23 -1.10 -1.51 0.00 0.00 177.10 174.87 1r85 s GLN 262 N 0.22 1.65 -0.51 -0.60 -0.21 -0.56 -2.32 119.66 117.33 1r85 s GLN 262 Ca -0.10 -0.96 -0.20 0.00 0.02 0.00 0.00 55.36 54.12 1r85 s GLN 262 Cb -0.14 -1.74 0.05 0.00 1.00 0.00 0.00 33.01 32.18 1r85 s GLN 262 CO 0.04 0.46 0.69 0.42 -2.12 0.00 0.00 175.29 174.77 1r85 s ILE 263 N -0.72 4.78 -0.06 1.08 -1.09 -0.32 -0.61 121.20 124.26 1r85 s ILE 263 Ca 0.09 -0.27 0.19 0.00 -2.23 0.00 0.00 60.65 58.43 1r85 s ILE 263 Cb -0.09 -4.33 -0.28 0.00 -1.58 0.00 0.00 42.46 36.18 1r85 s ILE 263 CO 0.01 -0.83 0.35 0.35 -1.23 0.00 0.00 174.94 173.58 1r85 n THR 264 N 5.75 0.26 -2.79 2.92 -2.24 -0.18 -0.12 114.28 117.88 1r85 n THR 264 Ca -0.04 -0.51 -0.01 0.00 -2.27 0.00 0.00 64.05 61.22 1r85 n THR 264 Cb 0.46 -0.06 0.06 0.00 -2.10 0.00 0.00 70.33 68.69 1r85 n THR 264 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1r85 n GLU 265 N -2.27 1.61 -1.70 -0.78 1.02 -0.55 -4.61 120.64 113.36 1r85 n GLU 265 Ca -0.09 -3.06 -0.44 0.00 -0.02 0.00 0.00 57.16 53.55 1r85 n GLU 265 Cb 0.62 -1.20 -0.03 0.00 -0.02 0.00 0.00 31.44 30.81 1r85 n GLU 265 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1r85 n LEU 266 N -0.73 3.69 -3.75 -4.62 7.94 -0.20 -4.07 117.00 115.26 1r85 n LEU 266 Ca 0.03 1.05 -0.13 0.00 -1.11 0.00 0.00 56.01 55.85 1r85 n LEU 266 Cb 0.82 -1.51 -0.10 0.00 0.53 0.00 0.00 43.42 43.16 1r85 n LEU 266 CO 0.04 0.02 0.02 1.51 -1.11 0.00 0.00 177.39 177.88 1r85 s ASP 267 N 1.49 -0.29 -0.52 1.96 1.47 -1.07 -1.12 116.67 118.59 1r85 s ASP 267 Ca 0.78 0.43 -0.01 0.00 1.18 0.00 0.00 52.55 54.93 1r85 s ASP 267 Cb -0.57 0.54 0.13 0.00 -0.34 0.00 0.00 42.92 42.69 1r85 s ASP 267 CO 0.36 -0.27 0.30 -0.69 0.68 0.00 0.00 175.17 175.55 1r85 s VAL 268 N -0.49 3.29 0.63 2.11 1.01 -1.04 -1.88 120.40 124.03 1r85 s VAL 268 Ca -0.06 -2.67 -0.18 0.00 0.00 0.00 0.00 61.98 59.07 1r85 s VAL 268 Cb -0.04 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1r85 s VAL 268 CO 0.02 -0.78 1.27 -0.55 0.00 0.00 0.00 175.10 175.06 1r85 s SER 269 N 0.93 4.78 0.01 3.32 0.15 -0.54 -4.20 113.70 118.15 1r85 s SER 269 Ca 0.14 2.55 0.26 0.00 0.70 0.00 0.00 55.95 59.60 1r85 s SER 269 Cb -0.22 -2.61 1.09 0.00 -1.71 0.00 0.00 66.02 62.57 1r85 s SER 269 CO -0.04 -1.88 1.83 0.23 1.20 0.00 0.00 173.24 174.58 1r85 n MET 270 N -1.81 0.01 -4.56 5.44 2.81 -1.26 -3.60 117.12 114.15 1r85 n MET 270 Ca 0.15 0.06 -0.30 0.00 -1.81 0.00 0.00 57.70 55.81 1r85 n MET 270 Cb 0.49 -1.51 -0.08 0.00 -0.71 0.00 0.00 33.22 31.40 1r85 n MET 270 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1r85 s TYR 271 N -3.01 2.13 0.00 2.03 2.02 -1.26 -4.92 117.35 114.34 1r85 s TYR 271 Ca 0.12 -0.82 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 1r85 s TYR 271 Cb 0.17 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.99 1r85 s TYR 271 CO 0.48 0.23 0.00 0.41 -1.57 0.00 0.00 175.55 175.09 1r85 n GLY 272 N -1.22 1.22 2.77 0.71 0.00 -1.26 -4.67 105.19 102.74 1r85 n GLY 272 Ca -0.11 -1.84 -0.19 0.00 0.00 0.00 0.00 46.02 43.88 1r85 n GLY 272 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1r85 s TRP 273 N 1.57 0.29 0.46 1.61 -0.11 -1.26 -3.22 118.94 118.29 1r85 s TRP 273 Ca 0.00 0.05 -0.23 0.00 1.22 0.00 0.00 56.10 57.14 1r85 s TRP 273 Cb 0.00 -0.49 -0.07 0.00 -1.50 0.00 0.00 33.47 31.41 1r85 s TRP 273 CO 0.00 -0.18 1.14 -1.25 -4.62 0.00 0.00 176.95 172.04 1r85 s PRO 274 N 1.51 3.78 0.42 5.86 0.04 -1.26 -5.09 135.00 140.26 1r85 s PRO 274 Ca -0.03 1.71 -0.25 0.00 0.04 0.00 0.00 61.00 62.48 1r85 s PRO 274 Cb -0.13 -2.38 -0.08 0.00 0.04 0.00 0.00 34.50 31.95 1r85 s PRO 274 CO -0.03 -0.52 1.20 -2.14 0.04 0.00 0.00 177.00 175.56 1r85 s PRO 275 N -2.74 3.92 -0.43 0.56 0.02 -1.20 -5.00 135.00 130.14 1r85 s PRO 275 Ca 0.64 1.91 0.01 0.00 0.02 0.00 0.00 61.00 63.58 1r85 s PRO 275 Cb -0.27 -2.61 0.12 0.00 0.02 0.00 0.00 34.50 31.76 1r85 s PRO 275 CO 0.33 -0.45 0.19 1.03 -0.33 0.00 0.00 177.00 177.77 1r85 s ARG 276 N -2.40 1.88 0.32 5.54 0.52 -1.26 -4.13 118.95 119.42 1r85 s ARG 276 Ca 0.59 -2.09 -0.06 0.00 -0.52 0.00 0.00 55.73 53.65 1r85 s ARG 276 Cb -0.32 -3.41 -0.05 0.00 0.52 0.00 0.00 34.95 31.68 1r85 s ARG 276 CO 0.40 -1.04 0.61 0.00 0.02 0.00 0.00 175.30 175.29 1r85 s ALA 277 N 0.61 3.55 0.56 2.13 0.00 -0.12 -4.70 121.76 123.79 1r85 s ALA 277 Ca 0.12 -0.48 -0.19 0.00 0.00 0.00 0.00 51.96 51.41 1r85 s ALA 277 Cb -0.22 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.45 1r85 s ALA 277 CO -0.05 0.15 1.11 0.71 0.00 0.00 0.00 175.76 177.69 1r85 s TYR 278 N -2.18 2.73 0.03 0.00 2.02 -1.26 -4.48 117.35 114.21 1r85 s TYR 278 Ca 0.46 1.55 0.24 0.00 -0.37 0.00 0.00 57.07 58.94 1r85 s TYR 278 Cb -0.11 -3.22 0.80 0.00 -0.40 0.00 0.00 41.96 39.03 1r85 s TYR 278 CO 0.31 -1.46 1.77 -1.00 -1.57 0.00 0.00 175.55 173.60 1r85 h PRO 279 N 1.03 0.00 -4.04 -1.71 0.13 -1.90 -1.16 132.00 124.35 1r85 h PRO 279 Ca -0.49 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 1r85 h PRO 279 Cb 1.25 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 1r85 h PRO 279 CO 0.57 0.22 -0.52 0.95 -0.23 0.00 0.00 178.00 178.98 1r85 s THR 280 N -3.51 0.17 0.31 1.56 -4.23 -1.26 -4.08 115.64 104.60 1r85 s THR 280 Ca 0.02 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1r85 s THR 280 Cb 0.09 -1.50 0.20 0.00 1.34 0.00 0.00 72.50 72.63 1r85 s THR 280 CO 0.64 -0.77 1.90 0.22 -0.54 0.00 0.00 174.62 176.08 1r85 h TYR 281 N 2.92 0.82 0.00 3.99 3.20 -1.89 -2.88 116.97 123.12 1r85 h TYR 281 Ca -0.34 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.48 1r85 h TYR 281 Cb 1.18 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 1r85 h TYR 281 CO 0.47 0.62 -0.08 -0.44 -1.64 0.00 0.00 178.16 177.09 1r85 h ASP 282 N 0.81 0.00 0.95 -2.11 3.32 -1.99 -2.43 116.42 114.97 1r85 h ASP 282 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1r85 h ASP 282 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1r85 h ASP 282 CO -0.02 0.08 -0.12 0.00 -1.72 0.00 0.00 179.24 177.47 1r85 n ALA 283 N -2.19 2.58 -2.32 3.45 0.00 -1.09 -4.83 120.51 116.11 1r85 n ALA 283 Ca -0.01 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 1r85 n ALA 283 Cb 0.26 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 1r85 n ALA 283 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1r85 s ILE 284 N -3.02 4.04 0.56 0.00 1.01 -0.92 -4.97 121.20 117.91 1r85 s ILE 284 Ca 0.13 1.32 -0.20 0.00 0.00 0.00 0.00 60.65 61.90 1r85 s ILE 284 Cb 0.18 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1r85 s ILE 284 CO 0.58 -0.07 1.25 -2.84 0.00 0.00 0.00 174.94 173.86 1r85 s PRO 285 N 3.06 3.10 0.30 2.79 0.02 -1.26 -4.90 135.00 138.11 1r85 s PRO 285 Ca 0.60 1.96 0.05 0.00 0.02 0.00 0.00 61.00 63.63 1r85 s PRO 285 Cb -0.26 -2.09 0.68 0.00 0.02 0.00 0.00 34.50 32.85 1r85 s PRO 285 CO 0.21 -1.14 1.81 0.87 -0.33 0.00 0.00 177.00 178.42 1r85 h LYS 286 N 1.20 0.82 0.00 5.54 1.57 -1.95 -1.08 116.57 122.67 1r85 h LYS 286 Ca -0.50 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1r85 h LYS 286 Cb 1.29 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1r85 h LYS 286 CO 0.56 0.54 -0.00 0.37 -0.57 0.00 0.00 179.45 180.35 1r85 h GLN 287 N 0.84 0.00 -0.42 3.15 5.75 -2.00 -1.17 115.11 121.26 1r85 h GLN 287 Ca 0.53 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 59.00 1r85 h GLN 287 Cb 0.73 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.26 1r85 h GLN 287 CO -0.31 0.00 0.12 0.87 -2.65 0.00 0.00 178.83 176.86 1r85 h LYS 288 N 0.00 0.62 -0.03 1.69 1.79 -1.55 -0.19 116.57 118.90 1r85 h LYS 288 Ca -0.00 -0.10 -0.13 0.00 -2.18 0.00 0.00 60.65 58.24 1r85 h LYS 288 Cb 0.01 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 1r85 h LYS 288 CO 0.00 0.55 -0.57 0.74 -1.08 0.00 0.00 179.45 179.09 1r85 h PHE 289 N 0.61 0.12 -0.22 -1.35 -1.00 -1.31 -0.03 116.94 113.76 1r85 h PHE 289 Ca 0.14 -0.05 -0.19 0.00 2.81 0.00 0.00 57.97 60.69 1r85 h PHE 289 Cb 0.21 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.75 1r85 h PHE 289 CO 0.01 0.65 -0.61 -0.07 -1.61 0.00 0.00 178.31 176.68 1r85 h LEU 290 N 0.07 0.92 -0.75 1.54 3.38 -1.26 -0.52 115.31 118.69 1r85 h LEU 290 Ca -0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1r85 h LEU 290 Cb 1.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1r85 h LEU 290 CO 0.08 1.33 0.48 0.44 0.09 0.00 0.00 178.44 180.86 1r85 h ASP 291 N 0.55 0.87 -0.64 -0.43 3.32 -0.83 -1.29 116.42 117.97 1r85 h ASP 291 Ca -0.01 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1r85 h ASP 291 Cb 1.23 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 1r85 h ASP 291 CO 0.13 0.64 0.23 -0.61 -1.72 0.00 0.00 179.24 177.91 1r85 h GLN 292 N 1.02 1.01 -0.61 3.56 4.15 -0.94 -1.85 115.11 121.44 1r85 h GLN 292 Ca 0.27 -0.19 -0.09 0.00 0.77 0.00 0.00 58.65 59.41 1r85 h GLN 292 Cb -0.10 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.41 1r85 h GLN 292 CO -0.06 0.85 0.01 0.00 -1.93 0.00 0.00 178.83 177.71 1r85 h ALA 293 N 1.27 0.83 -0.77 3.38 0.00 -0.44 -0.00 119.26 123.53 1r85 h ALA 293 Ca 0.22 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1r85 h ALA 293 Cb 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1r85 h ALA 293 CO -0.01 0.66 0.33 0.00 0.00 0.00 0.00 179.25 180.23 1r85 h ALA 294 N 0.99 1.00 -0.23 0.00 0.00 -0.89 0.11 119.26 120.24 1r85 h ALA 294 Ca 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r85 h ALA 294 Cb 0.55 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1r85 h ALA 294 CO 0.03 0.60 0.13 -0.09 0.00 0.00 0.00 179.25 179.92 1r85 h ARG 295 N 1.10 0.32 -0.86 0.00 9.65 -0.93 -1.74 114.38 121.93 1r85 h ARG 295 Ca 0.26 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.08 1r85 h ARG 295 Cb 0.18 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.66 1r85 h ARG 295 CO -0.03 0.29 0.44 1.88 2.80 0.00 0.00 179.97 185.35 1r85 h TYR 296 N 0.27 1.20 -0.26 2.20 0.05 -0.63 0.46 116.97 120.27 1r85 h TYR 296 Ca 0.08 -0.04 0.06 0.00 0.05 0.00 0.00 58.73 58.88 1r85 h TYR 296 Cb 0.06 -0.38 -0.06 0.00 1.01 0.00 0.00 36.73 37.36 1r85 h TYR 296 CO -0.04 0.85 -0.11 0.22 -1.05 0.00 0.00 178.16 178.03 1r85 h ASP 297 N 1.21 -0.38 -0.36 3.88 3.58 -0.47 -0.54 116.42 123.34 1r85 h ASP 297 Ca 0.30 0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.75 1r85 h ASP 297 Cb 0.07 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1r85 h ASP 297 CO -0.04 -0.14 -0.11 0.03 -2.88 0.00 0.00 179.24 176.10 1r85 h ARG 298 N -0.07 0.80 -0.23 0.28 3.08 -0.89 -1.96 114.38 115.38 1r85 h ARG 298 Ca 0.13 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 1r85 h ARG 298 Cb 0.27 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1r85 h ARG 298 CO -0.31 0.87 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.39 1r85 h LEU 299 N 0.72 0.40 -0.41 3.04 3.38 -0.48 -2.01 115.31 119.95 1r85 h LEU 299 Ca 0.12 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 1r85 h LEU 299 Cb 0.59 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1r85 h LEU 299 CO 0.04 0.62 -0.58 -0.26 0.09 0.00 0.00 178.44 178.35 1r85 h PHE 300 N 0.17 0.00 -0.99 1.13 -1.00 -1.11 0.98 116.94 116.12 1r85 h PHE 300 Ca 0.06 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.85 1r85 h PHE 300 Cb 0.42 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.93 1r85 h PHE 300 CO 0.04 0.58 0.65 0.87 -1.61 0.00 0.00 178.31 178.84 1r85 h LYS 301 N 0.00 1.30 -0.24 1.51 1.57 -1.25 -1.00 116.57 118.46 1r85 h LYS 301 Ca -0.01 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1r85 h LYS 301 Cb 1.26 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1r85 h LYS 301 CO 0.07 0.86 0.04 1.25 -0.57 0.00 0.00 179.45 181.10 1r85 h LEU 302 N 1.34 0.38 -0.95 2.94 5.85 -0.82 -0.04 115.31 124.01 1r85 h LEU 302 Ca 0.36 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1r85 h LEU 302 Cb -0.15 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 1r85 h LEU 302 CO -0.08 0.55 0.63 1.88 -0.34 0.00 0.00 178.44 181.08 1r85 h TYR 303 N 0.20 1.21 -0.65 1.25 0.05 -0.58 -0.68 116.97 117.77 1r85 h TYR 303 Ca 0.07 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.81 1r85 h TYR 303 Cb 0.33 -0.41 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 1r85 h TYR 303 CO 0.02 0.76 0.15 0.93 -1.05 0.00 0.00 178.16 178.98 1r85 h GLU 304 N 1.30 1.04 -0.86 4.88 5.08 -1.04 -1.11 114.58 123.87 1r85 h GLU 304 Ca 0.35 -0.25 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1r85 h GLU 304 Cb -0.14 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 28.91 1r85 h GLU 304 CO -0.07 0.94 0.56 -0.22 -1.00 0.00 0.00 179.01 179.21 1r85 h LYS 305 N 0.96 0.86 -0.77 2.33 3.64 0.12 -1.71 116.57 122.00 1r85 h LYS 305 Ca 0.20 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.30 1r85 h LYS 305 Cb 0.37 -0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 31.86 1r85 h LYS 305 CO 0.00 0.57 0.30 1.28 -2.27 0.00 0.00 179.45 179.33 1r85 n LEU 306 N -4.51 6.17 0.26 5.20 4.77 -0.37 -4.64 117.00 123.89 1r85 n LEU 306 Ca 0.14 -3.22 0.17 0.00 -0.03 0.00 0.00 56.01 53.08 1r85 n LEU 306 Cb 0.27 -0.76 0.79 0.00 -2.33 0.00 0.00 43.42 41.40 1r85 n LEU 306 CO 0.32 0.82 1.01 0.77 -1.33 0.00 0.00 177.39 178.98 1r85 h SER 307 N 2.62 0.00 0.52 -1.43 4.64 -0.25 0.63 113.55 120.27 1r85 h SER 307 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1r85 h SER 307 Cb 2.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.47 1r85 h SER 307 CO 0.77 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.83 1r85 n ASP 308 N -2.87 0.00 -0.18 4.97 5.75 -1.26 -2.94 116.55 120.01 1r85 n ASP 308 Ca -0.00 0.08 0.03 0.00 -0.01 0.00 0.00 54.79 54.88 1r85 n ASP 308 Cb 0.20 -0.33 0.01 0.00 -1.03 0.00 0.00 41.12 39.97 1r85 n ASP 308 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1r85 n LYS 309 N -1.33 1.64 -4.03 0.11 5.02 0.20 -4.97 118.16 114.78 1r85 n LYS 309 Ca 0.10 -0.60 -0.30 0.00 -2.02 0.00 0.00 58.31 55.48 1r85 n LYS 309 Cb 0.20 -1.01 -0.16 0.00 -0.02 0.00 0.00 35.03 34.04 1r85 n LYS 309 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1r85 s ILE 310 N -0.89 1.64 -0.17 -0.18 1.01 -1.11 -2.17 121.20 119.33 1r85 s ILE 310 Ca 0.06 -0.69 0.22 0.00 0.00 0.00 0.00 60.65 60.24 1r85 s ILE 310 Cb 0.05 -1.54 -0.12 0.00 0.01 0.00 0.00 42.46 40.86 1r85 s ILE 310 CO 0.14 0.46 0.84 -1.54 0.00 0.00 0.00 174.94 174.83 1r85 n SER 311 N 4.75 0.54 -3.69 3.58 3.41 -0.98 -4.60 113.62 116.63 1r85 n SER 311 Ca -0.17 0.20 -0.13 0.00 -0.26 0.00 0.00 58.87 58.50 1r85 n SER 311 Cb 0.50 1.01 -0.09 0.00 -0.26 0.00 0.00 64.21 65.37 1r85 n SER 311 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1r85 s ASN 312 N -5.04 -0.57 -0.21 4.04 3.84 -1.26 -1.72 114.94 114.02 1r85 s ASN 312 Ca -0.03 1.10 0.01 0.00 0.21 0.00 0.00 52.86 54.15 1r85 s ASN 312 Cb 0.11 1.12 0.04 0.00 -0.55 0.00 0.00 41.25 41.97 1r85 s ASN 312 CO 0.83 -0.19 -0.11 -0.69 -2.79 0.00 0.00 177.10 174.16 1r85 s VAL 313 N 0.31 1.75 -0.13 -5.21 1.01 -0.29 -1.17 120.40 116.66 1r85 s VAL 313 Ca -0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 1r85 s VAL 313 Cb -0.04 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1r85 s VAL 313 CO 0.00 0.15 -0.12 -0.89 0.00 0.00 0.00 175.10 174.25 1r85 s THR 314 N 1.34 3.17 0.24 3.92 2.01 0.84 -0.72 115.64 126.44 1r85 s THR 314 Ca -0.02 -0.62 -0.24 0.00 0.31 0.00 0.00 61.69 61.12 1r85 s THR 314 Cb -0.17 -2.34 -0.09 0.00 0.01 0.00 0.00 72.50 69.91 1r85 s THR 314 CO -0.08 0.52 0.82 -0.36 -0.69 0.00 0.00 174.62 174.83 1r85 s PHE 315 N 0.36 3.75 -1.33 4.92 0.08 -0.04 -1.03 117.98 124.69 1r85 s PHE 315 Ca -0.10 1.61 -0.07 0.00 0.12 0.00 0.00 56.93 58.49 1r85 s PHE 315 Cb -0.16 -2.78 0.02 0.00 -0.57 0.00 0.00 43.02 39.54 1r85 s PHE 315 CO 0.05 0.35 2.68 1.87 -0.10 0.00 0.00 175.22 180.07 1r85 n TRP 316 N 0.94 2.36 0.00 0.36 -0.00 -0.28 -1.84 117.44 118.98 1r85 n TRP 316 Ca -0.02 -2.82 0.00 0.00 -0.00 0.00 0.00 57.50 54.66 1r85 n TRP 316 Cb 0.50 -2.05 0.00 0.00 -0.00 0.00 0.00 31.31 29.76 1r85 n TRP 316 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1r85 n GLY 317 N 2.40 0.67 0.34 5.87 0.00 -1.25 -4.69 105.19 108.54 1r85 n GLY 317 Ca 0.67 -1.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 1r85 n GLY 317 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1r85 n ILE 318 N -1.50 1.39 -4.13 -0.61 5.41 -1.26 -4.20 119.36 114.47 1r85 n ILE 318 Ca 0.00 0.14 -0.11 0.00 1.00 0.00 0.00 62.75 63.78 1r85 n ILE 318 Cb 0.00 -2.10 -0.09 0.00 -0.71 0.00 0.00 39.64 36.74 1r85 n ILE 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r85 s ALA 319 N -2.63 0.74 -1.40 -1.39 0.00 -1.26 -4.62 121.76 111.19 1r85 s ALA 319 Ca -0.23 -1.43 0.16 0.00 0.00 0.00 0.00 51.96 50.46 1r85 s ALA 319 Cb 0.04 1.21 0.79 0.00 0.00 0.00 0.00 23.12 25.16 1r85 s ALA 319 CO 0.32 -0.63 1.45 -0.25 0.00 0.00 0.00 175.76 176.65 1r85 n ASP 320 N -0.26 0.00 0.02 0.00 8.00 -0.23 -2.02 116.55 122.06 1r85 n ASP 320 Ca -0.01 0.09 0.10 0.00 0.71 0.00 0.00 54.79 55.68 1r85 n ASP 320 Cb 0.65 -0.30 0.41 0.00 -0.02 0.00 0.00 41.12 41.86 1r85 n ASP 320 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1r85 n ASN 321 N -1.30 0.13 -3.56 -2.24 6.94 -1.26 -4.57 115.26 109.40 1r85 n ASN 321 Ca 0.07 0.52 -0.20 0.00 -0.02 0.00 0.00 54.58 54.95 1r85 n ASN 321 Cb 0.13 -0.55 -0.15 0.00 -2.36 0.00 0.00 39.78 36.85 1r85 n ASN 321 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1r85 s HIS 322 N -3.04 -0.12 -0.19 -2.53 5.04 -0.86 -5.09 115.29 108.50 1r85 s HIS 322 Ca 0.09 0.13 -0.15 0.00 -1.54 0.00 0.00 55.06 53.58 1r85 s HIS 322 Cb 0.12 -0.45 0.05 0.00 0.04 0.00 0.00 32.58 32.35 1r85 s HIS 322 CO 0.36 -0.52 0.49 -0.08 -2.34 0.00 0.00 174.74 172.66 1r85 s THR 323 N 2.26 -0.01 -0.18 0.89 -1.32 -1.26 -4.53 115.64 111.49 1r85 s THR 323 Ca 0.05 0.03 0.25 0.00 -1.21 0.00 0.00 61.69 60.80 1r85 s THR 323 Cb -0.15 -0.70 0.25 0.00 -1.51 0.00 0.00 72.50 70.38 1r85 s THR 323 CO -0.10 0.01 1.75 4.11 -2.21 0.00 0.00 174.62 178.18 1r85 h TRP 324 N 6.04 0.00 0.00 9.09 5.08 -2.01 -1.70 115.95 132.45 1r85 h TRP 324 Ca -0.30 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.66 1r85 h TRP 324 Cb 1.18 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1r85 h TRP 324 CO 0.31 0.00 -0.04 -0.07 -1.28 0.00 0.00 178.44 177.36 1r85 h LEU 325 N 0.00 0.00 -2.01 0.11 3.38 -1.95 -1.50 115.31 113.35 1r85 h LEU 325 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1r85 h LEU 325 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1r85 h LEU 325 CO 0.00 0.04 -0.09 0.44 0.09 0.00 0.00 178.44 178.92 1r85 h ASP 326 N 0.00 0.00 0.71 -0.43 3.32 -1.62 -0.50 116.42 117.90 1r85 h ASP 326 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1r85 h ASP 326 Cb 0.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1r85 h ASP 326 CO 0.01 0.09 -0.08 0.77 -1.72 0.00 0.00 179.24 178.31 1r85 h SER 327 N 0.00 0.00 0.00 6.45 4.64 -1.48 -2.22 113.55 120.94 1r85 h SER 327 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r85 h SER 327 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1r85 h SER 327 CO 0.01 0.08 -0.44 0.54 -0.87 0.00 0.00 176.83 176.15 1r85 n ARG 328 N -3.28 1.24 -2.30 4.77 1.74 -0.23 -4.08 116.66 114.53 1r85 n ARG 328 Ca -0.01 -1.01 -0.43 0.00 -0.77 0.00 0.00 57.85 55.63 1r85 n ARG 328 Cb 0.28 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1r85 n ARG 328 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1r85 n ALA 329 N 0.01 4.51 -2.37 7.54 0.00 -0.83 -4.48 120.51 124.88 1r85 n ALA 329 Ca 0.10 -3.96 -0.42 0.00 0.00 0.00 0.00 53.44 49.15 1r85 n ALA 329 Cb 0.47 -3.44 -0.03 0.00 0.00 0.00 0.00 19.45 16.44 1r85 n ALA 329 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1r85 s ASP 330 N 3.30 7.10 -0.25 0.00 1.01 -1.26 -0.01 116.67 126.56 1r85 s ASP 330 Ca 0.48 2.03 -0.08 0.00 0.71 0.00 0.00 52.55 55.69 1r85 s ASP 330 Cb 0.07 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 1r85 s ASP 330 CO 0.00 -0.44 0.10 -0.69 0.21 0.00 0.00 175.17 174.35 1r85 s VAL 331 N 0.88 4.63 -0.12 -1.27 1.01 -0.68 -0.94 120.40 123.90 1r85 s VAL 331 Ca 0.57 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 1r85 s VAL 331 Cb -0.30 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1r85 s VAL 331 CO 0.30 0.33 0.23 -0.31 0.00 0.00 0.00 175.10 175.65 1r85 s TYR 332 N 1.53 3.55 -0.02 5.22 1.51 -1.26 0.12 117.35 128.01 1r85 s TYR 332 Ca 0.06 0.60 0.07 0.00 -1.01 0.00 0.00 57.07 56.79 1r85 s TYR 332 Cb -0.15 -2.16 -0.02 0.00 -0.11 0.00 0.00 41.96 39.52 1r85 s TYR 332 CO 0.05 0.49 -0.22 0.71 -1.11 0.00 0.00 175.55 175.48 1r85 s TYR 333 N -0.35 1.98 0.14 2.71 2.02 -0.19 -0.10 117.35 123.56 1r85 s TYR 333 Ca 0.16 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1r85 s TYR 333 Cb -0.13 -1.28 0.03 0.00 -0.40 0.00 0.00 41.96 40.18 1r85 s TYR 333 CO 0.05 -0.04 0.19 -0.40 -1.57 0.00 0.00 175.55 173.77 1r85 n ASP 334 N 2.57 0.09 0.26 2.29 5.68 0.37 -0.71 116.55 127.09 1r85 n ASP 334 Ca -0.16 -1.11 0.17 0.00 -0.50 0.00 0.00 54.79 53.19 1r85 n ASP 334 Cb 0.52 -0.14 0.73 0.00 -1.14 0.00 0.00 41.12 41.10 1r85 n ASP 334 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r85 h ALA 335 N -1.43 1.00 -0.21 2.12 0.00 -1.91 -1.02 119.26 117.81 1r85 h ALA 335 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1r85 h ALA 335 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1r85 h ALA 335 CO 0.05 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.39 1r85 n ASN 336 N -2.89 3.14 0.00 0.00 3.02 -1.26 -4.93 115.26 112.34 1r85 n ASN 336 Ca 0.00 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1r85 n ASN 336 Cb 0.24 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1r85 n ASN 336 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r85 n GLY 337 N 1.34 0.77 3.86 7.41 0.00 -0.39 -5.05 105.19 113.14 1r85 n GLY 337 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1r85 n GLY 337 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r85 s ASN 338 N -2.35 6.70 0.28 1.61 0.02 -1.26 -4.77 114.94 115.18 1r85 s ASN 338 Ca 0.00 1.08 -0.29 0.00 -1.02 0.00 0.00 52.86 52.62 1r85 s ASN 338 Cb 0.00 -2.29 -0.10 0.00 0.02 0.00 0.00 41.25 38.88 1r85 s ASN 338 CO 0.00 -0.11 1.28 -0.69 0.02 0.00 0.00 177.10 177.60 1r85 s VAL 339 N -1.85 2.99 -0.21 1.60 1.01 -1.26 -0.48 120.40 122.20 1r85 s VAL 339 Ca 0.49 0.93 -0.02 0.00 0.00 0.00 0.00 61.98 63.39 1r85 s VAL 339 Cb -0.11 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1r85 s VAL 339 CO 0.20 0.20 -0.10 -0.69 0.00 0.00 0.00 175.10 174.70 1r85 s VAL 340 N -0.74 2.79 -0.47 2.92 1.01 0.86 -4.86 120.40 121.91 1r85 s VAL 340 Ca 0.51 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.77 1r85 s VAL 340 Cb -0.38 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.65 1r85 s VAL 340 CO 0.46 0.40 0.40 1.33 0.00 0.00 0.00 175.10 177.69 1r85 n VAL 341 N 4.70 0.00 -2.68 2.92 0.24 -1.26 -4.22 118.33 118.02 1r85 n VAL 341 Ca -0.19 -0.33 -0.43 0.00 -2.04 0.00 0.00 64.34 61.36 1r85 n VAL 341 Cb 0.49 1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 33.86 1r85 n VAL 341 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1r85 s ASP 342 N -1.64 7.23 0.55 -1.34 -1.08 -1.26 -4.78 116.67 114.34 1r85 s ASP 342 Ca 0.04 1.52 0.37 0.00 -0.52 0.00 0.00 52.55 53.96 1r85 s ASP 342 Cb 0.06 -2.55 1.87 0.00 -1.46 0.00 0.00 42.92 40.84 1r85 s ASP 342 CO 0.31 -0.47 2.12 1.55 0.52 0.00 0.00 175.17 179.19 1r85 h PRO 343 N 7.14 0.00 -0.07 4.34 0.13 -1.97 -2.63 132.00 138.94 1r85 h PRO 343 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1r85 h PRO 343 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1r85 h PRO 343 CO 0.87 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.73 1r85 n ASN 344 N -2.87 2.54 -4.85 1.44 3.02 -1.26 -4.99 115.26 108.27 1r85 n ASN 344 Ca -0.02 -1.75 -0.31 0.00 -0.03 0.00 0.00 54.58 52.47 1r85 n ASN 344 Cb 0.13 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 1r85 n ASN 344 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r85 s ALA 345 N -1.40 3.21 0.68 5.41 0.00 -0.99 -5.04 121.76 123.63 1r85 s ALA 345 Ca 0.22 0.03 -0.17 0.00 0.00 0.00 0.00 51.96 52.03 1r85 s ALA 345 Cb 0.15 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 20.37 1r85 s ALA 345 CO 0.22 -0.05 1.26 -2.14 0.00 0.00 0.00 175.76 175.05 1r85 s PRO 346 N -3.78 2.39 0.13 0.00 0.02 -1.26 -5.00 135.00 127.50 1r85 s PRO 346 Ca 0.55 1.95 -0.25 0.00 0.02 0.00 0.00 61.00 63.28 1r85 s PRO 346 Cb -0.10 -1.84 0.07 0.00 0.02 0.00 0.00 34.50 32.65 1r85 s PRO 346 CO 0.28 -1.69 0.72 1.52 -0.33 0.00 0.00 177.00 177.50 1r85 s TYR 347 N -1.61 -0.42 -0.09 6.54 1.13 -1.26 -4.71 117.35 116.93 1r85 s TYR 347 Ca 0.80 0.20 0.02 0.00 -1.41 0.00 0.00 57.07 56.68 1r85 s TYR 347 Cb -0.34 0.58 -0.07 0.00 -1.10 0.00 0.00 41.96 41.02 1r85 s TYR 347 CO 0.41 -0.81 -0.06 0.00 -2.51 0.00 0.00 175.55 172.59 1r85 n ALA 348 N -0.36 1.79 -2.81 9.51 0.00 0.11 -4.93 120.51 123.83 1r85 n ALA 348 Ca -0.13 -0.45 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 1r85 n ALA 348 Cb 0.63 0.22 -0.08 0.00 0.00 0.00 0.00 19.45 20.22 1r85 n ALA 348 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1r85 s LYS 349 N -2.20 0.78 0.00 0.00 -2.85 -0.95 -5.03 119.74 109.49 1r85 s LYS 349 Ca -0.11 -0.70 0.04 0.00 -1.00 0.00 0.00 55.97 54.20 1r85 s LYS 349 Cb 0.03 0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 36.11 1r85 s LYS 349 CO 0.26 -0.24 -0.14 0.54 0.10 0.00 0.00 175.35 175.87 1r85 s VAL 350 N -2.99 1.08 -0.48 1.79 0.11 -1.26 -1.03 120.40 117.62 1r85 s VAL 350 Ca -0.02 -0.67 -0.08 0.00 -2.93 0.00 0.00 61.98 58.28 1r85 s VAL 350 Cb 0.01 -0.92 0.12 0.00 -1.53 0.00 0.00 36.38 34.06 1r85 s VAL 350 CO -0.06 0.24 0.33 -1.61 -3.33 0.00 0.00 175.10 170.67 1r85 s GLU 351 N -0.50 2.41 0.17 1.54 0.41 0.12 -4.95 118.70 117.91 1r85 s GLU 351 Ca 0.04 -1.84 -0.30 0.00 -0.41 0.00 0.00 54.97 52.46 1r85 s GLU 351 Cb -0.06 -3.86 -0.08 0.00 -1.78 0.00 0.00 34.13 28.35 1r85 s GLU 351 CO -0.00 -1.17 1.22 0.15 -0.49 0.00 0.00 175.26 174.97 1r85 s LYS 352 N 1.20 4.47 -1.17 1.61 1.02 -1.26 -1.69 119.74 123.91 1r85 s LYS 352 Ca 0.07 1.89 0.00 0.00 0.02 0.00 0.00 55.97 57.96 1r85 s LYS 352 Cb -0.25 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 1r85 s LYS 352 CO -0.02 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 1r85 n GLY 353 N 2.37 1.21 0.56 -3.33 0.00 -1.23 -4.87 105.19 99.91 1r85 n GLY 353 Ca 0.05 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.75 1r85 n GLY 353 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r85 n LYS 354 N -2.42 1.33 -0.51 1.61 4.76 -1.07 -4.59 118.16 117.27 1r85 n LYS 354 Ca -0.11 -1.28 0.00 0.00 -2.87 0.00 0.00 58.31 54.05 1r85 n LYS 354 Cb 0.40 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 1r85 n LYS 354 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1r85 n GLY 355 N 0.94 1.36 2.90 0.72 0.00 0.99 -4.88 105.19 107.22 1r85 n GLY 355 Ca 0.09 -2.01 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 1r85 n GLY 355 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r85 s LYS 356 N -0.51 1.25 0.47 1.61 2.47 -0.44 -4.78 119.74 119.81 1r85 s LYS 356 Ca 0.00 -0.19 0.09 0.00 -1.56 0.00 0.00 55.97 54.31 1r85 s LYS 356 Cb 0.00 -1.28 0.03 0.00 -1.46 0.00 0.00 37.83 35.12 1r85 s LYS 356 CO 0.00 -0.17 0.63 0.34 0.16 0.00 0.00 175.35 176.31 1r85 s ASP 357 N 1.37 5.42 -0.43 1.43 -1.08 -1.26 -4.44 116.67 117.69 1r85 s ASP 357 Ca -0.02 -0.59 0.07 0.00 -0.52 0.00 0.00 52.55 51.48 1r85 s ASP 357 Cb -0.14 -0.32 0.26 0.00 -1.46 0.00 0.00 42.92 41.27 1r85 s ASP 357 CO -0.03 -0.95 0.75 0.00 0.52 0.00 0.00 175.17 175.45 1r85 n ALA 358 N -1.96 0.53 1.13 3.66 0.00 -1.26 -4.95 120.51 117.66 1r85 n ALA 358 Ca 0.10 -2.41 0.13 0.00 0.00 0.00 0.00 53.44 51.26 1r85 n ALA 358 Cb 0.60 -1.07 0.36 0.00 0.00 0.00 0.00 19.45 19.34 1r85 n ALA 358 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1r85 n PRO 359 N 1.29 0.37 -2.21 0.00 -0.04 -1.26 -4.72 135.00 128.43 1r85 n PRO 359 Ca 0.15 -0.20 -0.10 0.00 -0.04 0.00 0.00 63.50 63.32 1r85 n PRO 359 Cb 0.60 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.58 1r85 n PRO 359 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1r85 n PHE 360 N -1.14 -1.77 1.17 0.54 3.72 -1.26 -2.50 117.46 116.22 1r85 n PHE 360 Ca 0.09 -0.94 0.12 0.00 -0.05 0.00 0.00 57.45 56.67 1r85 n PHE 360 Cb 0.33 -0.21 0.24 0.00 -0.94 0.00 0.00 39.48 38.90 1r85 n PHE 360 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1r85 n VAL 361 N -1.24 0.00 -4.65 -4.37 0.24 -1.26 -4.87 118.33 102.18 1r85 n VAL 361 Ca 0.02 -0.23 -0.33 0.00 -2.04 0.00 0.00 64.34 61.76 1r85 n VAL 361 Cb 0.26 0.84 -0.15 0.00 -1.47 0.00 0.00 33.84 33.31 1r85 n VAL 361 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1r85 s PHE 362 N -2.36 2.77 1.00 6.34 0.08 -1.26 -1.58 117.98 122.96 1r85 s PHE 362 Ca 0.25 -0.95 -0.16 0.00 0.12 0.00 0.00 56.93 56.19 1r85 s PHE 362 Cb 0.19 -1.86 0.21 0.00 -0.57 0.00 0.00 43.02 40.98 1r85 s PHE 362 CO 0.49 -0.41 1.25 0.20 -0.10 0.00 0.00 175.22 176.65 1r85 s GLY 363 N 0.67 1.70 0.22 4.36 0.00 0.28 -1.07 107.32 113.49 1r85 s GLY 363 Ca -0.08 -1.04 0.24 0.00 0.00 0.00 0.00 44.72 43.84 1r85 s GLY 363 CO 0.02 -0.29 1.72 -1.55 0.00 0.00 0.00 173.10 173.01 1r85 n PRO 364 N -3.96 0.20 -0.63 2.90 -0.04 -1.26 -0.76 135.00 131.44 1r85 n PRO 364 Ca 0.13 0.34 0.08 0.00 -0.04 0.00 0.00 63.50 64.02 1r85 n PRO 364 Cb 0.60 -1.82 0.34 0.00 -0.04 0.00 0.00 33.50 32.58 1r85 n PRO 364 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1r85 n ASP 365 N -2.18 4.65 -2.45 3.54 5.68 -1.26 -4.50 116.55 120.03 1r85 n ASP 365 Ca 0.03 -2.51 -0.21 0.00 -0.50 0.00 0.00 54.79 51.60 1r85 n ASP 365 Cb 0.29 -0.58 -0.01 0.00 -1.14 0.00 0.00 41.12 39.68 1r85 n ASP 365 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1r85 n TYR 366 N 0.93 -1.08 -4.10 2.11 4.02 0.07 -4.93 117.16 114.17 1r85 n TYR 366 Ca 0.24 0.04 -0.29 0.00 -0.01 0.00 0.00 57.90 57.88 1r85 n TYR 366 Cb 0.90 -4.04 -0.07 0.00 -0.02 0.00 0.00 39.34 36.11 1r85 n TYR 366 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1r85 s LYS 367 N -5.10 2.69 0.32 -0.72 1.02 -1.26 -0.72 119.74 115.97 1r85 s LYS 367 Ca 0.03 -0.82 -0.28 0.00 0.02 0.00 0.00 55.97 54.92 1r85 s LYS 367 Cb -0.01 -2.60 -0.09 0.00 -0.52 0.00 0.00 37.83 34.60 1r85 s LYS 367 CO 0.03 0.53 1.15 0.14 -0.92 0.00 0.00 175.35 176.28 1r85 s VAL 368 N -1.43 3.30 0.50 3.17 -7.23 0.09 -0.55 120.40 118.24 1r85 s VAL 368 Ca 0.28 1.24 0.02 0.00 -1.81 0.00 0.00 61.98 61.70 1r85 s VAL 368 Cb -0.11 -3.76 0.02 0.00 0.56 0.00 0.00 36.38 33.08 1r85 s VAL 368 CO 0.20 0.24 0.71 -0.54 -0.31 0.00 0.00 175.10 175.40 1r85 s LYS 369 N -1.77 2.76 0.44 4.82 1.02 -0.62 -4.49 119.74 121.90 1r85 s LYS 369 Ca 0.49 -0.74 0.20 0.00 0.02 0.00 0.00 55.97 55.94 1r85 s LYS 369 Cb -0.32 -2.55 1.17 0.00 -0.52 0.00 0.00 37.83 35.60 1r85 s LYS 369 CO 0.41 -0.50 1.87 -1.35 -0.92 0.00 0.00 175.35 174.87 1r85 h PRO 370 N 0.27 0.31 0.00 -1.68 0.11 -1.87 -0.43 132.00 128.70 1r85 h PRO 370 Ca -0.43 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 1r85 h PRO 370 Cb 1.28 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1r85 h PRO 370 CO 0.53 0.20 -0.27 0.00 -0.21 0.00 0.00 178.00 178.25 1r85 h ALA 371 N 1.61 1.55 0.28 -0.75 0.00 -1.85 -1.74 119.26 118.37 1r85 h ALA 371 Ca 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1r85 h ALA 371 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1r85 h ALA 371 CO -0.14 0.34 -0.14 -0.92 0.00 0.00 0.00 179.25 178.39 1r85 h TYR 372 N 0.00 -0.35 0.00 0.00 3.20 -1.19 -2.69 116.97 115.93 1r85 h TYR 372 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1r85 h TYR 372 Cb 0.48 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 1r85 h TYR 372 CO 0.00 -0.18 -0.14 -1.49 -1.64 0.00 0.00 178.16 174.71 1r85 h TRP 373 N -0.43 0.00 0.00 -3.82 4.06 -1.33 -0.53 115.95 113.90 1r85 h TRP 373 Ca -0.04 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.87 1r85 h TRP 373 Cb 0.33 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 1r85 h TRP 373 CO -0.04 0.14 -0.20 0.00 -3.56 0.00 0.00 178.44 174.78 1r85 h ALA 374 N 1.86 1.15 -0.01 1.49 0.00 -1.04 -3.09 119.26 119.62 1r85 h ALA 374 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1r85 h ALA 374 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1r85 h ALA 374 CO 0.02 0.25 -0.28 0.44 0.00 0.00 0.00 179.25 179.68 1r85 n ILE 375 N -3.54 0.00 0.11 0.00 -5.35 -0.76 -4.46 119.36 105.36 1r85 n ILE 375 Ca -0.01 -0.36 0.09 0.00 -0.27 0.00 0.00 62.75 62.20 1r85 n ILE 375 Cb 0.35 1.09 0.01 0.00 -1.74 0.00 0.00 39.64 39.35 1r85 n ILE 375 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 1r85 h ILE 376 N 0.81 0.16 -3.15 7.28 6.09 -1.10 -3.47 117.51 124.12 1r85 h ILE 376 Ca 0.00 -1.28 -0.27 0.00 -1.37 0.00 0.00 64.86 61.94 1r85 h ILE 376 Cb 0.31 1.75 0.11 0.00 0.47 0.00 0.00 36.82 39.46 1r85 h ILE 376 CO 0.00 0.09 0.26 -0.90 -3.07 0.00 0.00 178.15 174.53 1r85 n ASP 377 N -2.82 -0.06 -1.49 2.19 5.68 -1.17 -5.01 116.55 113.86 1r85 n ASP 377 Ca -0.01 -1.28 -0.08 0.00 -0.50 0.00 0.00 54.79 52.91 1r85 n ASP 377 Cb 0.62 -0.65 0.10 0.00 -1.14 0.00 0.00 41.12 40.04 1r85 n ASP 377 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1r85 n HIS 378 N -3.24 1.36 -0.44 2.11 8.25 -1.26 -5.07 115.22 116.93 1r85 n HIS 378 Ca 0.11 -1.81 0.00 0.00 -0.26 0.00 0.00 57.72 55.75 1r85 n HIS 378 Cb 0.37 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1r85 n HIS 378 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61