#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7m s PRO 2 N 0.00 2.43 -0.49 4.33 0.04 -1.26 -5.10 135.00 134.96 1a7m s PRO 2 Ca 0.00 -0.49 0.07 0.00 0.04 0.00 0.00 61.00 60.62 1a7m s PRO 2 Cb 0.00 -2.34 0.25 0.00 0.04 0.00 0.00 34.50 32.45 1a7m s PRO 2 CO 0.00 -0.93 0.60 1.28 0.04 0.00 0.00 177.00 177.98 1a7m n LEU 3 N -2.61 1.50 -4.74 -3.56 4.32 -1.26 -5.12 117.00 105.53 1a7m n LEU 3 Ca 0.08 -4.96 -0.38 0.00 -0.02 0.00 0.00 56.01 50.72 1a7m n LEU 3 Cb 0.60 0.14 0.05 0.00 -1.62 0.00 0.00 43.42 42.59 1a7m n LEU 3 CO 0.49 2.05 0.97 -2.16 -1.22 0.00 0.00 177.39 177.52 1a7m s PRO 4 N -1.62 2.94 -0.56 3.23 0.04 -1.26 -4.98 135.00 132.79 1a7m s PRO 4 Ca 0.37 2.21 0.07 0.00 0.04 0.00 0.00 61.00 63.69 1a7m s PRO 4 Cb 0.16 -2.13 0.26 0.00 0.04 0.00 0.00 34.50 32.83 1a7m s PRO 4 CO -0.08 -1.34 0.71 1.51 0.04 0.00 0.00 177.00 177.84 1a7m n ILE 5 N -1.30 1.57 -2.60 0.56 3.06 -1.26 -4.99 119.36 114.39 1a7m n ILE 5 Ca 0.12 -4.93 0.00 0.00 -2.50 0.00 0.00 62.75 55.44 1a7m n ILE 5 Cb 0.46 -1.91 0.00 0.00 0.54 0.00 0.00 39.64 38.72 1a7m n ILE 5 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1a7m n THR 6 N 0.85 0.00 -1.40 9.51 -1.04 -1.26 -4.72 114.28 116.23 1a7m n THR 6 Ca 0.28 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.89 1a7m n THR 6 Cb 0.45 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.94 1a7m n THR 6 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1a7m n PRO 7 N -0.64 2.68 0.00 -2.82 -0.04 -1.26 -4.34 135.00 128.58 1a7m n PRO 7 Ca 0.00 -2.22 -0.03 0.00 -0.04 0.00 0.00 63.50 61.21 1a7m n PRO 7 Cb 0.00 -3.00 -0.01 0.00 -0.04 0.00 0.00 33.50 30.45 1a7m n PRO 7 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1a7m n VAL 8 N 4.83 1.32 0.00 0.52 3.14 -1.26 -5.12 118.33 121.76 1a7m n VAL 8 Ca 0.57 0.32 0.00 0.00 -2.96 0.00 0.00 64.34 62.27 1a7m n VAL 8 Cb 0.33 -1.84 0.00 0.00 -1.06 0.00 0.00 33.84 31.27 1a7m n VAL 8 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1a7m n ASN 9 N -3.81 0.00 0.00 6.55 2.04 -1.26 -4.79 115.26 113.99 1a7m n ASN 9 Ca -0.05 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.09 1a7m n ASN 9 Cb 0.17 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.42 1a7m n ASN 9 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1a7m n ALA 10 N -3.00 1.93 0.00 -2.53 0.00 -1.26 -4.74 120.51 110.91 1a7m n ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1a7m n ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1a7m n ALA 10 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a7m n THR 11 N -0.93 0.00 0.36 0.00 -2.24 -1.26 -4.75 114.28 105.46 1a7m n THR 11 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1a7m n THR 11 Cb 0.00 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1a7m n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a7m n ALA 13 N 0.68 2.30 -1.22 0.00 0.00 -1.26 -4.85 120.51 116.16 1a7m n ALA 13 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1a7m n ALA 13 Cb 0.15 0.14 0.17 0.00 0.00 0.00 0.00 19.45 19.91 1a7m n ALA 13 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1a7m n ILE 14 N -2.04 2.03 0.00 0.00 -6.64 0.04 -4.79 119.36 107.96 1a7m n ILE 14 Ca 0.00 -2.51 0.00 0.00 -1.77 0.00 0.00 62.75 58.47 1a7m n ILE 14 Cb 0.14 -0.24 0.00 0.00 -1.44 0.00 0.00 39.64 38.09 1a7m n ILE 14 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64 1a7m n ARG 15 N -1.27 0.00 -3.98 6.28 0.63 0.20 -5.06 116.66 113.45 1a7m n ARG 15 Ca 0.18 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 57.02 1a7m n ARG 15 Cb 0.69 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.49 1a7m n ARG 15 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1a7m s HIS 16 N 0.00 0.27 -0.97 -0.14 3.76 -1.26 -5.09 115.29 111.85 1a7m s HIS 16 Ca 0.00 -0.55 -0.04 0.00 -0.15 0.00 0.00 55.06 54.31 1a7m s HIS 16 Cb 0.00 -0.20 0.24 0.00 1.11 0.00 0.00 32.58 33.73 1a7m s HIS 16 CO 0.00 -0.21 0.90 -1.25 -0.85 0.00 0.00 174.74 173.33 1a7m s PRO 17 N -1.66 3.62 0.15 8.40 0.04 -1.26 -4.67 135.00 139.62 1a7m s PRO 17 Ca -0.14 -3.26 0.01 0.00 0.04 0.00 0.00 61.00 57.65 1a7m s PRO 17 Cb -0.08 -4.17 0.01 0.00 0.04 0.00 0.00 34.50 30.29 1a7m s PRO 17 CO -0.02 -1.26 0.08 0.00 0.04 0.00 0.00 177.00 175.85 1a7m n HIS 19 N -0.73 0.00 -1.65 0.00 8.25 -1.26 -4.37 115.22 115.46 1a7m n HIS 19 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 1a7m n HIS 19 Cb 0.18 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 1a7m n HIS 19 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a7m n GLY 20 N 2.57 4.44 0.13 -1.41 0.00 -1.26 -4.41 105.19 105.25 1a7m n GLY 20 Ca 0.00 -1.63 -0.23 0.00 0.00 0.00 0.00 46.02 44.16 1a7m n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a7m n ASN 21 N 4.82 1.97 -0.87 1.61 4.13 -1.26 -4.49 115.26 121.18 1a7m n ASN 21 Ca 0.61 0.10 0.09 0.00 1.68 0.00 0.00 54.58 57.06 1a7m n ASN 21 Cb 0.33 -0.62 0.14 0.00 -1.54 0.00 0.00 39.78 38.09 1a7m n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a7m n LEU 22 N -3.73 2.92 -0.12 3.41 -0.00 -1.26 -4.54 117.00 113.68 1a7m n LEU 22 Ca -0.49 -1.35 0.03 0.00 -0.00 0.00 0.00 56.01 54.20 1a7m n LEU 22 Cb 0.94 -0.14 0.07 0.00 -0.00 0.00 0.00 43.42 44.29 1a7m n LEU 22 CO 0.17 0.60 0.25 0.80 -0.00 0.00 0.00 177.39 179.21 1a7m n MET 23 N 1.12 -0.03 0.00 1.47 1.56 -1.26 0.15 117.12 120.12 1a7m n MET 23 Ca 0.14 0.53 0.01 0.00 -0.27 0.00 0.00 57.70 58.11 1a7m n MET 23 Cb 0.50 -0.81 0.00 0.00 2.15 0.00 0.00 33.22 35.06 1a7m n MET 23 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1a7m n ASN 24 N -4.45 0.90 -0.25 6.12 0.23 -1.26 -4.63 115.26 111.92 1a7m n ASN 24 Ca 0.07 -0.95 -0.01 0.00 -0.53 0.00 0.00 54.58 53.16 1a7m n ASN 24 Cb 0.21 0.27 0.11 0.00 -2.08 0.00 0.00 39.78 38.30 1a7m n ASN 24 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 1a7m h GLN 25 N 0.34 0.72 -1.03 -3.83 -0.00 0.11 0.09 115.11 111.51 1a7m h GLN 25 Ca 0.00 -0.04 0.28 0.00 -0.00 0.00 0.00 58.65 58.89 1a7m h GLN 25 Cb 0.09 -0.16 -0.12 0.00 0.00 0.00 0.00 27.48 27.28 1a7m h GLN 25 CO 0.00 0.47 0.62 -0.84 0.00 0.00 0.00 178.83 179.09 1a7m h ILE 26 N 0.74 0.45 0.56 2.39 3.07 -1.75 0.30 117.51 123.27 1a7m h ILE 26 Ca 0.32 -0.15 -0.03 0.00 1.55 0.00 0.00 64.86 66.55 1a7m h ILE 26 Cb 0.21 -0.04 0.01 0.00 -0.27 0.00 0.00 36.82 36.73 1a7m h ILE 26 CO -0.19 0.08 -0.27 0.50 -1.05 0.00 0.00 178.15 177.22 1a7m h LYS 27 N 0.44 -0.72 -0.89 0.16 1.63 -1.20 0.41 116.57 116.40 1a7m h LYS 27 Ca 0.67 0.05 0.23 0.00 -0.85 0.00 0.00 60.65 60.75 1a7m h LYS 27 Cb 1.49 0.16 -0.16 0.00 -0.60 0.00 0.00 32.23 33.13 1a7m h LYS 27 CO -0.46 -0.42 0.08 -0.97 -3.45 0.00 0.00 179.45 174.23 1a7m h ASN 28 N -1.05 -0.31 0.36 4.20 -0.73 -0.95 0.46 115.58 117.55 1a7m h ASN 28 Ca -0.08 0.23 -0.02 0.00 1.87 0.00 0.00 56.30 58.31 1a7m h ASN 28 Cb 0.64 0.38 0.00 0.00 0.27 0.00 0.00 38.32 39.62 1a7m h ASN 28 CO 0.13 -0.25 -0.17 -0.61 -0.37 0.00 0.00 177.43 176.16 1a7m h GLN 29 N 0.09 -0.47 -0.89 6.67 4.15 -0.80 -3.26 115.11 120.61 1a7m h GLN 29 Ca 0.53 0.03 0.26 0.00 0.77 0.00 0.00 58.65 60.24 1a7m h GLN 29 Cb 1.05 0.11 -0.17 0.00 0.21 0.00 0.00 27.48 28.68 1a7m h GLN 29 CO -0.77 -0.15 0.08 -0.11 -1.93 0.00 0.00 178.83 175.95 1a7m n LEU 30 N -5.13 -0.05 -0.10 -2.39 -0.00 0.14 -0.19 117.00 109.28 1a7m n LEU 30 Ca -0.09 1.51 -0.07 0.00 -0.00 0.00 0.00 56.01 57.35 1a7m n LEU 30 Cb 0.27 -0.57 -0.01 0.00 -0.00 0.00 0.00 43.42 43.11 1a7m n LEU 30 CO 0.26 -1.55 0.67 0.00 -0.00 0.00 0.00 177.39 176.77 1a7m h ALA 31 N 1.78 -0.13 -0.17 1.96 0.00 -1.05 0.45 119.26 122.10 1a7m h ALA 31 Ca 0.57 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.63 1a7m h ALA 31 Cb 1.23 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1a7m h ALA 31 CO -0.82 -0.69 0.17 1.96 0.00 0.00 0.00 179.25 179.88 1a7m h GLN 32 N -0.24 0.00 0.15 0.00 7.50 -0.71 0.28 115.11 122.10 1a7m h GLN 32 Ca 0.17 0.00 -0.29 0.00 0.50 0.00 0.00 58.65 59.03 1a7m h GLN 32 Cb 0.51 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.06 1a7m h GLN 32 CO -0.49 0.00 -1.29 -0.07 -1.50 0.00 0.00 178.83 175.49 1a7m h LEU 33 N 0.00 0.63 0.33 1.46 3.38 -0.21 -2.82 115.31 118.08 1a7m h LEU 33 Ca 0.08 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 57.41 1a7m h LEU 33 Cb 0.43 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1a7m h LEU 33 CO -0.00 1.49 -0.28 -1.13 0.09 0.00 0.00 178.44 178.61 1a7m h ASN 34 N 0.14 -0.73 -0.91 -0.43 -1.24 0.29 0.77 115.58 113.48 1a7m h ASN 34 Ca -0.17 0.06 0.23 0.00 0.71 0.00 0.00 56.30 57.13 1a7m h ASN 34 Cb 1.98 0.24 -0.16 0.00 0.73 0.00 0.00 38.32 41.11 1a7m h ASN 34 CO 0.23 -0.41 0.03 1.23 -1.29 0.00 0.00 177.43 177.22 1a7m h GLY 35 N -0.62 1.12 2.00 1.57 0.00 -0.85 0.62 103.07 106.92 1a7m h GLY 35 Ca -0.02 0.13 -0.17 0.00 0.00 0.00 0.00 47.33 47.26 1a7m h GLY 35 CO -0.02 -0.42 -0.83 1.48 0.00 0.00 0.00 176.54 176.75 1a7m h SER 36 N 0.06 0.00 -1.04 0.19 4.64 -1.03 -1.57 113.55 114.80 1a7m h SER 36 Ca 0.53 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 62.14 1a7m h SER 36 Cb 1.05 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.01 1a7m h SER 36 CO -0.82 0.83 0.63 0.00 -0.87 0.00 0.00 176.83 176.60 1a7m h ALA 37 N 1.17 2.04 0.00 5.18 0.00 0.64 1.84 119.26 130.13 1a7m h ALA 37 Ca -0.01 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1a7m h ALA 37 Cb 1.51 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1a7m h ALA 37 CO 0.11 -0.55 -1.05 -1.71 0.00 0.00 0.00 179.25 176.06 1a7m n ASN 38 N -4.85 1.85 0.36 0.00 4.05 -1.04 -3.56 115.26 112.07 1a7m n ASN 38 Ca 0.29 0.50 -0.16 0.00 0.45 0.00 0.00 54.58 55.66 1a7m n ASN 38 Cb 0.91 -0.91 -0.08 0.00 1.23 0.00 0.00 39.78 40.93 1a7m n ASN 38 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1a7m h ALA 39 N -0.74 -0.94 0.41 5.20 0.00 -0.35 -2.06 119.26 120.79 1a7m h ALA 39 Ca -0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1a7m h ALA 39 Cb 1.01 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1a7m h ALA 39 CO -0.14 -0.90 -0.38 1.25 0.00 0.00 0.00 179.25 179.08 1a7m h LEU 40 N -1.18 -1.02 -0.77 0.00 7.12 0.26 0.20 115.31 119.92 1a7m h LEU 40 Ca -0.10 0.08 0.08 0.00 0.13 0.00 0.00 57.88 58.07 1a7m h LEU 40 Cb 0.74 0.34 -0.10 0.00 -0.53 0.00 0.00 40.66 41.11 1a7m h LEU 40 CO 0.16 -0.53 -0.43 0.33 -0.13 0.00 0.00 178.44 177.83 1a7m n PHE 41 N -5.49 -0.29 0.29 1.25 7.35 -0.43 0.18 117.46 120.33 1a7m n PHE 41 Ca -0.10 0.96 -0.16 0.00 -0.76 0.00 0.00 57.45 57.38 1a7m n PHE 41 Cb 0.38 -0.59 -0.08 0.00 0.35 0.00 0.00 39.48 39.54 1a7m n PHE 41 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1a7m h ILE 42 N 0.00 0.44 0.00 -2.13 5.03 -0.79 0.85 117.51 120.91 1a7m h ILE 42 Ca 0.14 -0.18 0.00 0.00 -0.12 0.00 0.00 64.86 64.70 1a7m h ILE 42 Cb 0.33 0.51 0.00 0.00 -3.03 0.00 0.00 36.82 34.64 1a7m h ILE 42 CO -0.73 0.03 0.00 -0.24 -0.68 0.00 0.00 178.15 176.53 1a7m n SER 43 N -5.36 0.00 -0.07 1.72 2.88 0.67 0.48 113.62 113.94 1a7m n SER 43 Ca -0.12 0.42 -0.05 0.00 -1.33 0.00 0.00 58.87 57.79 1a7m n SER 43 Cb 0.32 -0.44 -0.02 0.00 -0.75 0.00 0.00 64.21 63.32 1a7m n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a7m n TYR 44 N -1.44 0.69 0.17 0.66 9.36 0.49 -4.43 117.16 122.65 1a7m n TYR 44 Ca 0.02 0.30 0.02 0.00 3.32 0.00 0.00 57.90 61.56 1a7m n TYR 44 Cb 0.06 -0.67 0.31 0.00 -0.63 0.00 0.00 39.34 38.41 1a7m n TYR 44 CO 0.00 0.00 0.00 0.10 0.22 0.00 0.00 176.86 177.18 1a7m h TYR 45 N -0.90 0.00 -0.87 2.98 -0.00 -0.63 -3.08 116.97 114.48 1a7m h TYR 45 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 58.73 58.95 1a7m h TYR 45 Cb 0.54 0.00 -0.15 0.00 0.00 0.00 0.00 36.73 37.12 1a7m h TYR 45 CO -0.23 0.45 0.11 1.79 -0.00 0.00 0.00 178.16 180.27 1a7m h THR 46 N 0.00 0.25 -0.98 -0.90 1.35 -0.15 0.51 112.91 112.98 1a7m h THR 46 Ca -0.00 -0.04 0.11 0.00 -0.55 0.00 0.00 66.41 65.92 1a7m h THR 46 Cb 0.83 0.11 -0.08 0.00 -1.73 0.00 0.00 68.15 67.28 1a7m h THR 46 CO 0.06 0.02 0.63 0.00 -0.25 0.00 0.00 175.52 175.98 1a7m h ALA 47 N 1.81 1.54 -0.78 6.62 0.00 -1.76 -2.89 119.26 123.79 1a7m h ALA 47 Ca 0.52 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.59 1a7m h ALA 47 Cb 1.02 -0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.45 1a7m h ALA 47 CO -0.73 0.24 -0.21 1.04 0.00 0.00 0.00 179.25 179.59 1a7m n GLN 48 N -4.58 -0.09 0.00 0.00 1.13 0.18 -4.91 117.38 109.11 1a7m n GLN 48 Ca 0.18 1.22 0.00 0.00 -1.94 0.00 0.00 57.00 56.46 1a7m n GLN 48 Cb 0.33 -1.82 0.00 0.00 0.11 0.00 0.00 30.24 28.86 1a7m n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a7m n GLY 49 N -1.48 1.41 3.70 1.08 0.00 -1.09 -4.97 105.19 103.83 1a7m n GLY 49 Ca 0.12 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 1a7m n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a7m s GLU 50 N -2.03 1.63 -0.98 1.61 1.03 -1.26 -2.87 118.70 115.83 1a7m s GLU 50 Ca 0.00 1.78 -0.04 0.00 0.03 0.00 0.00 54.97 56.74 1a7m s GLU 50 Cb 0.00 -1.77 0.15 0.00 -0.80 0.00 0.00 34.13 31.71 1a7m s GLU 50 CO 0.00 -2.23 2.40 -0.35 -1.33 0.00 0.00 175.26 173.76 1a7m n PRO 51 N -3.28 3.91 -0.04 -4.83 -0.04 -1.26 -5.00 135.00 124.45 1a7m n PRO 51 Ca 0.14 -3.29 -0.05 0.00 -0.04 0.00 0.00 63.50 60.25 1a7m n PRO 51 Cb 0.50 -2.43 -0.02 0.00 -0.04 0.00 0.00 33.50 31.52 1a7m n PRO 51 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1a7m n PHE 52 N 1.04 0.00 0.25 0.54 3.72 -1.14 -3.14 117.46 118.73 1a7m n PHE 52 Ca 0.56 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.97 1a7m n PHE 52 Cb 0.34 -0.29 0.09 0.00 -0.94 0.00 0.00 39.48 38.68 1a7m n PHE 52 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1a7m h PRO 53 N -0.58 0.00 0.00 -1.08 0.13 -1.88 1.71 132.00 130.30 1a7m h PRO 53 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.96 1a7m h PRO 53 Cb 0.58 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.68 1a7m h PRO 53 CO 0.00 0.00 -1.65 0.27 -0.23 0.00 0.00 178.00 176.39 1a7m n ASN 54 N -2.21 2.90 -0.43 1.44 6.94 -1.26 -4.66 115.26 117.98 1a7m n ASN 54 Ca -0.00 -0.03 0.08 0.00 -0.02 0.00 0.00 54.58 54.61 1a7m n ASN 54 Cb 0.81 0.30 0.19 0.00 -2.36 0.00 0.00 39.78 38.71 1a7m n ASN 54 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1a7m n ASN 55 N -2.58 2.75 -0.19 0.53 3.02 -0.07 -4.61 115.26 114.11 1a7m n ASN 55 Ca -0.18 -3.19 0.18 0.00 -0.03 0.00 0.00 54.58 51.36 1a7m n ASN 55 Cb 0.76 -0.49 0.52 0.00 -0.61 0.00 0.00 39.78 39.97 1a7m n ASN 55 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 1a7m h LEU 56 N 0.68 0.37 -0.37 3.41 8.10 0.23 0.45 115.31 128.18 1a7m h LEU 56 Ca 0.02 0.03 -0.10 0.00 0.11 0.00 0.00 57.88 57.94 1a7m h LEU 56 Cb 1.18 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 41.34 1a7m h LEU 56 CO 0.09 0.17 -0.15 -0.78 -4.11 0.00 0.00 178.44 173.66 1a7m h ASP 57 N 0.38 0.77 1.25 0.17 1.82 -1.81 1.24 116.42 120.24 1a7m h ASP 57 Ca 0.41 -0.39 -0.11 0.00 -0.39 0.00 0.00 57.03 56.55 1a7m h ASP 57 Cb 1.03 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.81 1a7m h ASP 57 CO -0.13 0.99 -0.54 0.50 -1.61 0.00 0.00 179.24 178.45 1a7m h LYS 58 N 0.54 0.00 0.00 0.28 1.63 -0.64 -3.07 116.57 115.31 1a7m h LYS 58 Ca 0.09 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.71 1a7m h LYS 58 Cb 0.68 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 1a7m h LYS 58 CO 0.05 0.54 -1.65 1.28 -3.45 0.00 0.00 179.45 176.22 1a7m n LEU 59 N -3.33 2.20 -1.70 5.20 7.99 0.10 -4.70 117.00 122.76 1a7m n LEU 59 Ca 0.01 -0.05 -0.17 0.00 -0.01 0.00 0.00 56.01 55.79 1a7m n LEU 59 Cb 0.70 -0.24 0.12 0.00 -0.11 0.00 0.00 43.42 43.90 1a7m n LEU 59 CO 0.40 0.57 0.74 0.00 -1.51 0.00 0.00 177.39 177.60 1a7m n GLY 61 N -0.97 0.00 3.64 0.00 0.00 -0.46 -2.99 105.19 104.41 1a7m n GLY 61 Ca 0.44 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 1a7m n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a7m s PRO 62 N -1.08 -0.82 -0.72 1.61 0.04 -1.26 -2.81 135.00 129.96 1a7m s PRO 62 Ca -0.00 -0.03 -0.15 0.00 0.04 0.00 0.00 61.00 60.86 1a7m s PRO 62 Cb 0.00 -1.64 0.17 0.00 0.04 0.00 0.00 34.50 33.07 1a7m s PRO 62 CO 0.00 -3.45 0.71 0.54 0.04 0.00 0.00 177.00 174.84 1a7m s ASN 63 N -3.94 6.52 0.00 6.66 4.22 -1.26 -4.50 114.94 122.64 1a7m s ASN 63 Ca 0.70 -2.24 0.18 0.00 -2.14 0.00 0.00 52.86 49.36 1a7m s ASN 63 Cb -0.10 -2.23 0.21 0.00 1.28 0.00 0.00 41.25 40.41 1a7m s ASN 63 CO 0.56 -0.75 1.14 0.52 -2.04 0.00 0.00 177.10 176.52 1a7m n VAL 64 N 4.64 0.21 -1.11 3.54 0.31 -1.26 -4.90 118.33 119.76 1a7m n VAL 64 Ca 0.04 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1a7m n VAL 64 Cb 0.45 1.19 0.00 0.00 -0.91 0.00 0.00 33.84 34.56 1a7m n VAL 64 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1a7m n THR 65 N 1.03 0.00 -1.19 2.52 5.66 -1.26 -4.91 114.28 116.13 1a7m n THR 65 Ca 0.12 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.86 1a7m n THR 65 Cb 0.46 0.00 0.15 0.00 -1.55 0.00 0.00 70.33 69.39 1a7m n THR 65 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1a7m n ASP 66 N 0.00 4.81 -4.71 1.09 5.75 -1.26 -4.96 116.55 117.27 1a7m n ASP 66 Ca 0.00 -3.60 -0.42 0.00 -0.01 0.00 0.00 54.79 50.76 1a7m n ASP 66 Cb 0.00 -0.87 -0.03 0.00 -1.03 0.00 0.00 41.12 39.19 1a7m n ASP 66 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1a7m s PHE 67 N -3.32 3.21 0.45 2.11 2.19 -1.26 -4.98 117.98 116.38 1a7m s PHE 67 Ca 0.57 0.97 -0.22 0.00 0.33 0.00 0.00 56.93 58.58 1a7m s PHE 67 Cb 0.47 -3.65 -0.09 0.00 -1.31 0.00 0.00 43.02 38.44 1a7m s PHE 67 CO 0.07 -2.29 1.05 -1.25 1.83 0.00 0.00 175.22 174.64 1a7m s PRO 68 N 1.25 3.96 -0.93 10.12 0.04 -1.26 -4.94 135.00 143.24 1a7m s PRO 68 Ca 0.64 1.45 -0.07 0.00 0.04 0.00 0.00 61.00 63.06 1a7m s PRO 68 Cb -0.35 -2.31 -0.09 0.00 0.04 0.00 0.00 34.50 31.78 1a7m s PRO 68 CO 0.30 -0.31 3.06 -0.35 0.04 0.00 0.00 177.00 179.73 1a7m n PRO 69 N -0.54 3.17 0.00 0.56 -0.04 -1.26 -4.92 135.00 131.96 1a7m n PRO 69 Ca 0.07 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 1a7m n PRO 69 Cb 0.51 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1a7m n PRO 69 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1a7m n PHE 70 N 2.61 0.00 -3.58 0.54 -0.00 -1.26 -4.89 117.46 110.89 1a7m n PHE 70 Ca 0.61 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.77 1a7m n PHE 70 Cb 0.49 0.00 -0.13 0.00 -0.00 0.00 0.00 39.48 39.84 1a7m n PHE 70 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 1a7m s HIS 71 N 0.00 1.22 -0.46 -5.13 3.76 -1.26 -5.03 115.29 108.39 1a7m s HIS 71 Ca 0.00 -1.89 -0.06 0.00 -0.15 0.00 0.00 55.06 52.96 1a7m s HIS 71 Cb 0.00 -1.32 -0.14 0.00 1.11 0.00 0.00 32.58 32.22 1a7m s HIS 71 CO 0.00 -0.82 1.05 0.00 -0.85 0.00 0.00 174.74 174.12 1a7m n ALA 72 N 3.98 0.44 -1.90 -1.40 0.00 -1.26 -4.64 120.51 115.72 1a7m n ALA 72 Ca 0.09 -0.32 -0.40 0.00 0.00 0.00 0.00 53.44 52.81 1a7m n ALA 72 Cb 0.37 -1.09 0.04 0.00 0.00 0.00 0.00 19.45 18.77 1a7m n ALA 72 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1a7m n ASN 73 N 3.06 7.54 0.00 0.00 2.85 -1.26 -4.77 115.26 122.67 1a7m n ASN 73 Ca 0.31 -3.83 0.00 0.00 -0.11 0.00 0.00 54.58 50.95 1a7m n ASN 73 Cb 0.05 -1.07 0.00 0.00 1.24 0.00 0.00 39.78 40.00 1a7m n ASN 73 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1a7m n GLY 74 N -0.54 0.05 0.00 8.20 0.00 -1.26 -4.73 105.19 106.91 1a7m n GLY 74 Ca 0.54 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1a7m n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1a7m n THR 75 N 0.00 0.00 -0.24 2.61 5.66 -1.26 -4.90 114.28 116.15 1a7m n THR 75 Ca 0.00 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 1a7m n THR 75 Cb 0.00 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 68.89 1a7m n THR 75 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1a7m n GLU 76 N 0.00 -0.06 -0.17 1.09 4.71 -1.26 0.23 120.64 125.18 1a7m n GLU 76 Ca 0.00 1.05 -0.01 0.00 -0.01 0.00 0.00 57.16 58.18 1a7m n GLU 76 Cb 0.00 -1.58 0.07 0.00 -1.01 0.00 0.00 31.44 28.91 1a7m n GLU 76 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1a7m h LYS 77 N 0.00 0.10 0.10 3.49 3.64 -1.97 0.60 116.57 122.53 1a7m h LYS 77 Ca 0.34 -0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.45 1a7m h LYS 77 Cb 0.56 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1a7m h LYS 77 CO -0.69 0.06 -1.21 0.00 -2.27 0.00 0.00 179.45 175.35 1a7m h ALA 78 N 1.49 0.15 -0.06 5.00 0.00 0.26 0.82 119.26 126.91 1a7m h ALA 78 Ca 0.27 -0.90 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1a7m h ALA 78 Cb 0.42 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1a7m h ALA 78 CO -0.46 1.04 0.01 0.87 0.00 0.00 0.00 179.25 180.70 1a7m h LYS 79 N 0.06 0.11 0.09 0.00 1.57 0.05 0.17 116.57 118.62 1a7m h LYS 79 Ca -0.12 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1a7m h LYS 79 Cb 1.94 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.24 1a7m h LYS 79 CO 0.19 0.35 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.30 1a7m h LEU 80 N -0.15 -0.11 -0.52 2.94 4.07 0.09 -0.13 115.31 121.51 1a7m h LEU 80 Ca 0.02 -0.48 0.04 0.00 0.08 0.00 0.00 57.88 57.54 1a7m h LEU 80 Cb 0.30 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.02 1a7m h LEU 80 CO 0.00 0.51 0.26 0.58 -1.08 0.00 0.00 178.44 178.72 1a7m h VAL 81 N -0.82 0.96 -0.26 1.22 2.07 -0.89 0.22 116.25 118.74 1a7m h VAL 81 Ca -0.01 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1a7m h VAL 81 Cb 0.58 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1a7m h VAL 81 CO 0.02 0.09 0.07 -0.08 0.02 0.00 0.00 177.57 177.70 1a7m h GLU 82 N 0.51 0.42 -0.10 1.57 4.81 -0.70 -0.33 114.58 120.76 1a7m h GLU 82 Ca 0.23 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1a7m h GLU 82 Cb 0.13 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1a7m h GLU 82 CO -0.16 0.50 -0.27 1.25 -0.73 0.00 0.00 179.01 179.61 1a7m h LEU 83 N 0.26 -0.86 0.00 1.64 5.85 -0.32 0.39 115.31 122.27 1a7m h LEU 83 Ca 0.08 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1a7m h LEU 83 Cb 0.27 0.34 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1a7m h LEU 83 CO -0.00 -0.22 0.00 0.00 -0.34 0.00 0.00 178.44 177.88 1a7m n TYR 84 N -3.96 0.00 -0.28 1.25 4.19 0.70 0.11 117.16 119.17 1a7m n TYR 84 Ca -0.03 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.19 1a7m n TYR 84 Cb 0.18 -0.27 0.05 0.00 0.49 0.00 0.00 39.34 39.79 1a7m n TYR 84 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 1a7m n ARG 85 N -2.09 -0.15 0.14 2.98 0.63 -0.15 0.13 116.66 118.16 1a7m n ARG 85 Ca 0.00 1.15 -0.01 0.00 -0.92 0.00 0.00 57.85 58.08 1a7m n ARG 85 Cb 0.00 -1.71 0.22 0.00 0.45 0.00 0.00 32.46 31.41 1a7m n ARG 85 CO 0.00 0.00 0.00 1.98 -2.51 0.00 0.00 177.63 177.10 1a7m h MET 86 N 0.00 0.03 0.00 -0.14 4.05 0.44 -2.76 114.93 116.55 1a7m h MET 86 Ca 0.28 -0.02 -0.14 0.00 -0.28 0.00 0.00 59.70 59.55 1a7m h MET 86 Cb 0.47 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 1a7m h MET 86 CO -0.75 0.57 -1.05 0.28 0.23 0.00 0.00 176.91 176.18 1a7m h VAL 87 N 0.02 0.61 0.18 -5.77 2.07 0.72 -2.43 116.25 111.65 1a7m h VAL 87 Ca -0.00 -2.02 -0.01 0.00 0.82 0.00 0.00 66.70 65.48 1a7m h VAL 87 Cb 0.97 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1a7m h VAL 87 CO 0.07 0.35 -0.09 0.00 0.02 0.00 0.00 177.57 177.92 1a7m h ALA 88 N 1.48 -0.24 -0.28 1.67 0.00 0.12 0.79 119.26 122.80 1a7m h ALA 88 Ca -0.09 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1a7m h ALA 88 Cb 1.48 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1a7m h ALA 88 CO 0.05 -0.33 -0.52 0.10 0.00 0.00 0.00 179.25 178.56 1a7m h TYR 89 N -0.85 1.01 0.45 0.00 -0.00 -1.62 -2.78 116.97 113.18 1a7m h TYR 89 Ca -0.02 -0.35 -0.01 0.00 -0.00 0.00 0.00 58.73 58.34 1a7m h TYR 89 Cb 0.52 -0.20 -0.02 0.00 -0.00 0.00 0.00 36.73 37.04 1a7m h TYR 89 CO 0.08 1.16 -0.43 1.25 -0.00 0.00 0.00 178.16 180.22 1a7m h LEU 90 N 0.63 -1.16 -0.98 0.10 7.12 -1.46 -0.82 115.31 118.74 1a7m h LEU 90 Ca 0.02 0.09 0.11 0.00 0.13 0.00 0.00 57.88 58.23 1a7m h LEU 90 Cb 1.11 0.38 -0.13 0.00 -0.53 0.00 0.00 40.66 41.49 1a7m h LEU 90 CO 0.11 -0.57 -0.52 -1.54 -0.13 0.00 0.00 178.44 175.79 1a7m n SER 91 N -5.01 -0.92 -0.05 1.25 3.41 0.28 -0.51 113.62 112.06 1a7m n SER 91 Ca -0.10 1.73 -0.14 0.00 -0.26 0.00 0.00 58.87 60.10 1a7m n SER 91 Cb 0.39 -0.27 -0.09 0.00 -0.26 0.00 0.00 64.21 63.98 1a7m n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a7m h ALA 92 N 0.73 -0.80 -0.91 7.33 0.00 -1.23 0.13 119.26 124.52 1a7m h ALA 92 Ca 0.21 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.32 1a7m h ALA 92 Cb 0.45 1.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.12 1a7m h ALA 92 CO -0.93 -1.05 0.41 0.77 0.00 0.00 0.00 179.25 178.45 1a7m h SER 93 N -0.51 0.35 -0.30 0.00 0.02 0.69 0.17 113.55 113.97 1a7m h SER 93 Ca 0.06 0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1a7m h SER 93 Cb 0.65 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1a7m h SER 93 CO -0.49 -0.01 0.16 -0.07 -1.14 0.00 0.00 176.83 175.29 1a7m h LEU 94 N 0.40 0.37 0.66 5.07 4.07 0.10 -2.75 115.31 123.24 1a7m h LEU 94 Ca 0.57 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.42 1a7m h LEU 94 Cb 1.11 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 1a7m h LEU 94 CO -0.53 0.36 -0.45 0.74 -1.08 0.00 0.00 178.44 177.47 1a7m h THR 95 N 0.36 0.10 -0.86 0.22 2.02 0.18 -1.41 112.91 113.52 1a7m h THR 95 Ca 0.10 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.41 1a7m h THR 95 Cb 0.07 0.10 -0.14 0.00 -1.74 0.00 0.00 68.15 66.44 1a7m h THR 95 CO -0.02 0.00 -0.41 0.78 0.37 0.00 0.00 175.52 176.24 1a7m h ASN 96 N -1.06 -1.49 0.04 4.18 4.21 -1.33 0.77 115.58 120.91 1a7m h ASN 96 Ca -0.08 0.29 -0.04 0.00 1.21 0.00 0.00 56.30 57.68 1a7m h ASN 96 Cb 0.87 0.74 -0.01 0.00 -1.12 0.00 0.00 38.32 38.80 1a7m h ASN 96 CO 0.06 -0.29 -0.12 -0.29 -1.29 0.00 0.00 177.43 175.50 1a7m h ILE 97 N -0.06 1.15 -0.44 2.81 6.09 -1.39 -2.07 117.51 123.60 1a7m h ILE 97 Ca 0.28 -0.67 0.09 0.00 -1.37 0.00 0.00 64.86 63.18 1a7m h ILE 97 Cb 0.56 1.20 -0.08 0.00 0.47 0.00 0.00 36.82 38.98 1a7m h ILE 97 CO -0.88 0.21 -0.04 0.00 -3.07 0.00 0.00 178.15 174.36 1a7m h THR 98 N 0.17 0.62 -0.01 2.19 1.03 0.17 0.46 112.91 117.55 1a7m h THR 98 Ca 0.04 -0.02 -0.00 0.00 -0.01 0.00 0.00 66.41 66.41 1a7m h THR 98 Cb 0.32 0.55 -0.00 0.00 -1.07 0.00 0.00 68.15 67.95 1a7m h THR 98 CO 0.02 0.01 -0.01 0.08 -0.01 0.00 0.00 175.52 175.61 1a7m h ARG 99 N 0.07 0.02 -0.92 0.00 0.11 -1.02 -2.47 114.38 110.16 1a7m h ARG 99 Ca 0.22 -0.01 0.27 0.00 0.10 0.00 0.00 59.98 60.55 1a7m h ARG 99 Cb 0.33 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 31.25 1a7m h ARG 99 CO -0.40 0.56 0.24 0.22 0.10 0.00 0.00 179.97 180.69 1a7m h ASP 100 N -0.52 -0.05 -0.07 0.08 3.58 -0.83 0.24 116.42 118.86 1a7m h ASP 100 Ca 0.00 0.22 -0.19 0.00 0.42 0.00 0.00 57.03 57.48 1a7m h ASP 100 Cb 0.56 0.31 0.01 0.00 1.72 0.00 0.00 39.33 41.93 1a7m h ASP 100 CO 0.00 -0.23 -0.70 1.56 -2.88 0.00 0.00 179.24 177.00 1a7m h GLN 101 N 0.15 0.59 -0.95 0.28 1.08 -0.94 0.30 115.11 115.63 1a7m h GLN 101 Ca 0.60 -0.55 0.19 0.00 -1.45 0.00 0.00 58.65 57.44 1a7m h GLN 101 Cb 1.28 0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 28.76 1a7m h GLN 101 CO -0.72 1.17 0.61 -0.22 -0.95 0.00 0.00 178.83 178.71 1a7m h LYS 102 N 0.21 0.57 0.00 1.46 3.64 -0.16 0.40 116.57 122.69 1a7m h LYS 102 Ca -0.07 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.00 1a7m h LYS 102 Cb 1.36 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 1a7m h LYS 102 CO 0.14 0.38 -1.66 0.28 -2.27 0.00 0.00 179.45 176.32 1a7m h VAL 103 N 0.58 0.87 0.01 2.00 2.07 -0.65 -3.40 116.25 117.74 1a7m h VAL 103 Ca 0.51 -2.71 -0.30 0.00 0.82 0.00 0.00 66.70 65.02 1a7m h VAL 103 Cb 1.01 2.42 -0.05 0.00 -1.52 0.00 0.00 31.29 33.16 1a7m h VAL 103 CO -0.25 0.50 -1.78 0.18 0.02 0.00 0.00 177.57 176.24 1a7m n LEU 104 N -3.05 1.01 -3.96 2.57 7.99 0.10 -4.88 117.00 116.78 1a7m n LEU 104 Ca -0.16 0.37 -0.30 0.00 -0.01 0.00 0.00 56.01 55.92 1a7m n LEU 104 Cb 1.04 0.06 -0.16 0.00 -0.11 0.00 0.00 43.42 44.24 1a7m n LEU 104 CO 0.45 0.44 -0.44 0.20 -1.51 0.00 0.00 177.39 176.53 1a7m s ASN 105 N -6.15 3.42 0.48 -1.43 -0.87 0.13 -5.01 114.94 105.50 1a7m s ASN 105 Ca -0.07 -0.93 0.31 0.00 -1.57 0.00 0.00 52.86 50.61 1a7m s ASN 105 Cb 0.08 -1.16 1.69 0.00 -0.02 0.00 0.00 41.25 41.83 1a7m s ASN 105 CO 0.82 -0.18 1.95 1.55 -2.57 0.00 0.00 177.10 178.67 1a7m h PRO 106 N 7.99 0.00 0.01 -0.60 0.13 -1.83 0.15 132.00 137.85 1a7m h PRO 106 Ca -0.24 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.51 1a7m h PRO 106 Cb 1.09 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.16 1a7m h PRO 106 CO 0.45 0.00 -2.37 0.43 -0.23 0.00 0.00 178.00 176.27 1a7m n SER 107 N -2.61 1.31 -0.34 1.44 7.64 -1.26 -4.16 113.62 115.64 1a7m n SER 107 Ca -0.02 -0.04 0.11 0.00 1.01 0.00 0.00 58.87 59.93 1a7m n SER 107 Cb 0.08 0.02 0.29 0.00 -1.01 0.00 0.00 64.21 63.58 1a7m n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a7m h ALA 108 N 0.37 1.54 -0.65 -0.43 0.00 -0.97 0.10 119.26 119.22 1a7m h ALA 108 Ca -0.54 0.08 0.25 0.00 0.00 0.00 0.00 54.91 54.70 1a7m h ALA 108 Cb 2.03 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 19.63 1a7m h ALA 108 CO -0.03 -0.05 0.27 1.33 0.00 0.00 0.00 179.25 180.78 1a7m n VAL 109 N -4.79 -0.27 -0.03 0.00 0.24 -0.91 0.22 118.33 112.77 1a7m n VAL 109 Ca 0.21 1.35 -0.12 0.00 -2.04 0.00 0.00 64.34 63.74 1a7m n VAL 109 Cb 0.52 -2.13 -0.10 0.00 -1.47 0.00 0.00 33.84 30.65 1a7m n VAL 109 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1a7m h SER 110 N 0.00 -0.03 -0.41 -1.34 0.87 -1.07 -2.31 113.55 109.26 1a7m h SER 110 Ca 0.51 -0.69 0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1a7m h SER 110 Cb 1.31 0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 63.18 1a7m h SER 110 CO -0.53 0.73 -0.23 0.17 -0.53 0.00 0.00 176.83 176.43 1a7m h LEU 111 N -0.85 -0.79 -0.91 2.23 8.10 0.28 0.12 115.31 123.50 1a7m h LEU 111 Ca -0.00 0.17 0.17 0.00 0.11 0.00 0.00 57.88 58.32 1a7m h LEU 111 Cb 0.72 0.41 -0.10 0.00 -0.44 0.00 0.00 40.66 41.25 1a7m h LEU 111 CO 0.01 -0.26 0.49 -0.74 -4.11 0.00 0.00 178.44 173.83 1a7m h HIS 112 N -0.16 0.85 -0.75 0.17 2.76 -0.54 0.27 115.15 117.76 1a7m h HIS 112 Ca 0.20 0.04 0.14 0.00 -2.20 0.00 0.00 60.37 58.55 1a7m h HIS 112 Cb 0.47 -0.24 -0.10 0.00 1.55 0.00 0.00 27.41 29.09 1a7m h HIS 112 CO -0.47 0.17 0.28 0.77 -1.30 0.00 0.00 177.93 177.38 1a7m h SER 113 N 0.64 0.25 -0.12 3.26 0.02 -0.16 0.18 113.55 117.62 1a7m h SER 113 Ca 0.51 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.57 1a7m h SER 113 Cb 0.79 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1a7m h SER 113 CO -0.39 0.09 0.05 0.11 -1.14 0.00 0.00 176.83 175.54 1a7m h LYS 114 N 0.42 0.18 -0.86 3.45 6.56 -0.20 -2.41 116.57 123.71 1a7m h LYS 114 Ca 0.41 -0.03 0.20 0.00 -1.06 0.00 0.00 60.65 60.17 1a7m h LYS 114 Cb 0.64 -0.03 -0.12 0.00 -0.57 0.00 0.00 32.23 32.15 1a7m h LYS 114 CO -0.41 0.29 0.33 -0.07 -2.06 0.00 0.00 179.45 177.52 1a7m h LEU 115 N 0.04 0.23 -0.38 2.94 3.38 -0.05 0.14 115.31 121.60 1a7m h LEU 115 Ca 0.04 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.24 1a7m h LEU 115 Cb 0.18 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 1a7m h LEU 115 CO -0.00 -0.02 -0.10 0.78 0.09 0.00 0.00 178.44 179.19 1a7m h ASN 116 N 0.36 -0.36 0.79 -0.43 -0.26 -0.26 -1.52 115.58 113.91 1a7m h ASN 116 Ca 0.52 0.12 -0.04 0.00 -0.56 0.00 0.00 56.30 56.34 1a7m h ASN 116 Cb 0.96 0.24 0.01 0.00 -1.06 0.00 0.00 38.32 38.47 1a7m h ASN 116 CO -0.53 -0.13 -0.38 0.00 -1.06 0.00 0.00 177.43 175.33 1a7m h ALA 117 N 1.38 -1.07 -0.93 -0.83 0.00 -0.51 -0.15 119.26 117.15 1a7m h ALA 117 Ca 0.18 -0.24 0.23 0.00 0.00 0.00 0.00 54.91 55.09 1a7m h ALA 117 Cb 0.28 0.41 -0.17 0.00 0.00 0.00 0.00 17.79 18.31 1a7m h ALA 117 CO -0.39 -1.07 -0.06 0.25 0.00 0.00 0.00 179.25 177.98 1a7m n THR 118 N -5.53 -0.39 0.19 0.00 -2.24 -0.82 -0.04 114.28 105.46 1a7m n THR 118 Ca -0.14 2.07 -0.14 0.00 -2.27 0.00 0.00 64.05 63.57 1a7m n THR 118 Cb 0.43 -2.97 -0.08 0.00 -2.10 0.00 0.00 70.33 65.61 1a7m n THR 118 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1a7m h ILE 119 N 0.00 0.58 -0.23 2.28 2.04 -1.09 -1.95 117.51 119.14 1a7m h ILE 119 Ca 0.53 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1a7m h ILE 119 Cb 1.01 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1a7m h ILE 119 CO -0.90 0.09 0.12 -0.78 0.00 0.00 0.00 178.15 176.67 1a7m h ASP 120 N -0.82 0.30 -0.56 1.72 1.82 0.11 0.53 116.42 119.52 1a7m h ASP 120 Ca -0.05 -0.11 0.14 0.00 -0.39 0.00 0.00 57.03 56.62 1a7m h ASP 120 Cb 0.53 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.44 1a7m h ASP 120 CO 0.08 0.33 0.40 -0.37 -1.61 0.00 0.00 179.24 178.07 1a7m h VAL 121 N 0.25 0.77 0.12 2.25 -1.51 -0.52 0.17 116.25 117.79 1a7m h VAL 121 Ca 0.08 -0.04 -0.26 0.00 -1.23 0.00 0.00 66.70 65.25 1a7m h VAL 121 Cb 0.11 0.64 0.03 0.00 -2.13 0.00 0.00 31.29 29.93 1a7m h VAL 121 CO -0.01 0.02 -1.08 0.24 -1.23 0.00 0.00 177.57 175.51 1a7m h MET 122 N 0.12 0.51 -0.86 5.19 2.86 -0.43 -2.28 114.93 120.04 1a7m h MET 122 Ca 0.27 -0.72 0.21 0.00 -2.06 0.00 0.00 59.70 57.40 1a7m h MET 122 Cb 0.91 0.24 -0.12 0.00 0.06 0.00 0.00 31.60 32.69 1a7m h MET 122 CO -0.03 1.32 0.34 0.00 1.06 0.00 0.00 176.91 179.59 1a7m h ARG 123 N 0.06 0.35 -0.05 1.72 3.08 0.31 0.55 114.38 120.41 1a7m h ARG 123 Ca -0.17 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1a7m h ARG 123 Cb 1.79 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.76 1a7m h ARG 123 CO 0.21 0.23 -0.00 0.78 -1.07 0.00 0.00 179.97 180.12 1a7m h GLY 124 N 0.36 0.09 -0.59 0.04 0.00 -1.47 -0.33 103.07 101.18 1a7m h GLY 124 Ca 0.53 -0.07 0.08 0.00 0.00 0.00 0.00 47.33 47.87 1a7m h GLY 124 CO -0.53 0.06 -0.50 -2.00 0.00 0.00 0.00 176.54 173.57 1a7m h LEU 125 N -0.22 -1.73 0.38 3.11 7.12 0.50 0.46 115.31 124.93 1a7m h LEU 125 Ca 0.01 0.26 -0.01 0.00 0.13 0.00 0.00 57.88 58.28 1a7m h LEU 125 Cb 0.35 0.76 -0.03 0.00 -0.53 0.00 0.00 40.66 41.21 1a7m h LEU 125 CO 0.00 -0.34 -0.52 -0.07 -0.13 0.00 0.00 178.44 177.39 1a7m h LEU 126 N -0.23 -1.47 -1.00 2.25 3.38 -0.25 0.91 115.31 118.89 1a7m h LEU 126 Ca 0.15 0.13 0.24 0.00 0.09 0.00 0.00 57.88 58.50 1a7m h LEU 126 Cb 0.55 0.51 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 1a7m h LEU 126 CO -0.72 -0.64 0.59 0.28 0.09 0.00 0.00 178.44 178.04 1a7m h SER 127 N -0.93 0.67 -0.08 -0.43 0.02 0.06 1.02 113.55 113.87 1a7m h SER 127 Ca -0.04 0.14 -0.17 0.00 -0.84 0.00 0.00 61.79 60.87 1a7m h SER 127 Cb 0.84 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 1a7m h SER 127 CO -0.14 0.10 -0.54 0.78 -1.14 0.00 0.00 176.83 175.89 1a7m h ASN 128 N 0.58 0.74 0.34 3.07 2.35 0.75 -0.18 115.58 123.23 1a7m h ASN 128 Ca 0.64 -0.39 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1a7m h ASN 128 Cb 1.22 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.38 1a7m h ASN 128 CO -0.48 1.14 -0.17 0.58 -1.65 0.00 0.00 177.43 176.85 1a7m h VAL 129 N 0.51 0.43 -0.35 2.81 2.07 0.83 0.24 116.25 122.78 1a7m h VAL 129 Ca 0.01 -0.73 0.08 0.00 0.82 0.00 0.00 66.70 66.88 1a7m h VAL 129 Cb 1.11 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 1a7m h VAL 129 CO 0.11 0.10 -0.17 0.25 0.02 0.00 0.00 177.57 177.88 1a7m h LEU 130 N -0.98 -0.57 0.05 2.57 7.12 -0.14 0.31 115.31 123.67 1a7m h LEU 130 Ca -0.05 0.14 0.02 0.00 0.13 0.00 0.00 57.88 58.12 1a7m h LEU 130 Cb 0.51 0.31 -0.04 0.00 -0.53 0.00 0.00 40.66 40.92 1a7m h LEU 130 CO 0.08 -0.20 -0.24 0.00 -0.13 0.00 0.00 178.44 177.95 1a7m h ARG 132 N -0.40 0.61 -0.54 0.00 1.12 0.21 -0.46 114.38 114.92 1a7m h ARG 132 Ca 0.05 -0.04 0.11 0.00 -1.11 0.00 0.00 59.98 58.99 1a7m h ARG 132 Cb 0.46 -0.14 -0.10 0.00 -0.01 0.00 0.00 29.97 30.19 1a7m h ARG 132 CO -0.18 0.40 -0.07 -0.07 -3.11 0.00 0.00 179.97 176.95 1a7m h LEU 133 N 0.63 -0.37 -0.85 3.80 3.38 0.15 -0.28 115.31 121.78 1a7m h LEU 133 Ca 0.26 0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.51 1a7m h LEU 133 Cb 0.13 0.28 -0.14 0.00 0.09 0.00 0.00 40.66 41.03 1a7m h LEU 133 CO -0.16 -0.14 -0.39 0.00 0.09 0.00 0.00 178.44 177.84 1a7m h ASN 135 N -0.07 0.00 0.00 0.00 -1.24 -0.87 -3.17 115.58 110.23 1a7m h ASN 135 Ca 0.29 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.30 1a7m h ASN 135 Cb 0.57 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.62 1a7m h ASN 135 CO -0.87 0.00 0.00 0.29 -1.29 0.00 0.00 177.43 175.56 1a7m n LYS 136 N -2.29 0.00 -3.29 6.67 4.76 0.41 -4.97 118.16 119.45 1a7m n LYS 136 Ca -0.01 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.18 1a7m n LYS 136 Cb 0.55 -0.05 -0.08 0.00 -1.84 0.00 0.00 35.03 33.62 1a7m n LYS 136 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1a7m n TYR 137 N 0.00 -0.38 -2.61 2.13 4.01 0.12 -4.99 117.16 115.44 1a7m n TYR 137 Ca 0.00 -3.50 -0.42 0.00 -0.16 0.00 0.00 57.90 53.83 1a7m n TYR 137 Cb 0.03 -0.12 0.01 0.00 -0.31 0.00 0.00 39.34 38.95 1a7m n TYR 137 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a7m n ARG 138 N 1.95 4.81 -0.08 -0.72 1.74 -1.25 -4.09 116.66 119.02 1a7m n ARG 138 Ca 0.25 -4.31 -0.13 0.00 -0.77 0.00 0.00 57.85 52.89 1a7m n ARG 138 Cb 0.50 -2.56 -0.04 0.00 -1.02 0.00 0.00 32.46 29.34 1a7m n ARG 138 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1a7m n VAL 139 N 1.05 1.32 -0.04 1.55 0.31 -1.26 -4.60 118.33 116.65 1a7m n VAL 139 Ca 0.42 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 1a7m n VAL 139 Cb 0.29 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 1a7m n VAL 139 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a7m n GLY 140 N 1.84 0.98 2.54 2.92 0.00 -1.26 -4.01 105.19 108.20 1a7m n GLY 140 Ca -0.23 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1a7m n GLY 140 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1a7m n HIS 141 N -2.04 2.71 -0.03 1.61 -0.00 -1.26 -4.47 115.22 111.75 1a7m n HIS 141 Ca 0.00 -2.90 -0.02 0.00 -0.00 0.00 0.00 57.72 54.80 1a7m n HIS 141 Cb 0.00 -2.09 -0.01 0.00 -0.00 0.00 0.00 29.99 27.89 1a7m n HIS 141 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 1a7m n VAL 142 N 2.85 0.65 0.00 3.57 3.14 -1.26 -5.04 118.33 122.24 1a7m n VAL 142 Ca 0.61 0.37 0.00 0.00 -2.96 0.00 0.00 64.34 62.35 1a7m n VAL 142 Cb 0.28 -1.91 0.00 0.00 -1.06 0.00 0.00 33.84 31.15 1a7m n VAL 142 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1a7m n ASP 143 N -3.34 -1.45 -2.73 6.55 8.00 -1.26 -4.77 116.55 117.55 1a7m n ASP 143 Ca -0.04 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.41 1a7m n ASP 143 Cb 0.13 0.83 0.04 0.00 -0.02 0.00 0.00 41.12 42.10 1a7m n ASP 143 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1a7m n VAL 144 N -0.04 1.10 -1.53 2.53 0.24 -1.26 -4.30 118.33 115.06 1a7m n VAL 144 Ca 0.00 -2.99 -0.28 0.00 -2.04 0.00 0.00 64.34 59.03 1a7m n VAL 144 Cb 0.00 0.93 -0.10 0.00 -1.47 0.00 0.00 33.84 33.20 1a7m n VAL 144 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1a7m n PRO 145 N -0.28 0.53 -1.05 7.34 -0.04 -1.26 -4.68 135.00 135.56 1a7m n PRO 145 Ca 0.08 -0.24 -0.14 0.00 -0.04 0.00 0.00 63.50 63.15 1a7m n PRO 145 Cb 0.81 -2.74 -0.11 0.00 -0.04 0.00 0.00 33.50 31.42 1a7m n PRO 145 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1a7m n PRO 146 N 8.29 1.96 -3.79 0.54 -0.04 -1.26 -4.45 135.00 136.26 1a7m n PRO 146 Ca 0.51 -1.21 -0.28 0.00 -0.04 0.00 0.00 63.50 62.47 1a7m n PRO 146 Cb 0.35 -1.90 -0.16 0.00 -0.04 0.00 0.00 33.50 31.75 1a7m n PRO 146 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1a7m s VAL 147 N -0.02 0.81 0.29 0.52 1.01 -1.26 -5.08 120.40 116.68 1a7m s VAL 147 Ca 0.56 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 1a7m s VAL 147 Cb 0.29 -1.27 -0.08 0.00 0.00 0.00 0.00 36.38 35.32 1a7m s VAL 147 CO -0.05 -0.20 0.69 -2.16 0.00 0.00 0.00 175.10 173.38 1a7m s PRO 148 N 1.72 3.98 -0.70 2.72 0.04 -1.26 -5.04 135.00 136.45 1a7m s PRO 148 Ca -0.02 0.60 0.05 0.00 0.04 0.00 0.00 61.00 61.67 1a7m s PRO 148 Cb -0.18 -2.53 0.19 0.00 0.04 0.00 0.00 34.50 32.02 1a7m s PRO 148 CO -0.08 0.22 0.56 -0.40 0.04 0.00 0.00 177.00 177.34 1a7m n ASP 149 N -0.19 3.23 -0.91 6.66 5.75 -1.26 -4.89 116.55 124.94 1a7m n ASP 149 Ca 0.02 -3.26 0.07 0.00 -0.01 0.00 0.00 54.79 51.61 1a7m n ASP 149 Cb 0.53 -0.75 0.23 0.00 -1.03 0.00 0.00 41.12 40.10 1a7m n ASP 149 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a7m n HIS 150 N 1.73 0.86 -1.34 2.11 1.44 -1.26 -4.57 115.22 114.19 1a7m n HIS 150 Ca 0.22 -0.69 -0.25 0.00 -2.01 0.00 0.00 57.72 54.99 1a7m n HIS 150 Cb 0.36 -0.20 -0.02 0.00 0.12 0.00 0.00 29.99 30.26 1a7m n HIS 150 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1a7m n SER 151 N 0.14 6.60 -0.07 4.39 3.41 -1.26 -4.17 113.62 122.66 1a7m n SER 151 Ca 0.18 -3.24 -0.13 0.00 -0.26 0.00 0.00 58.87 55.43 1a7m n SER 151 Cb 0.72 -1.16 -0.14 0.00 -0.26 0.00 0.00 64.21 63.36 1a7m n SER 151 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1a7m n ASP 152 N 0.55 0.98 -4.06 4.04 5.68 -1.26 -4.94 116.55 117.54 1a7m n ASP 152 Ca 0.45 0.13 -0.15 0.00 -0.50 0.00 0.00 54.79 54.71 1a7m n ASP 152 Cb 0.55 0.12 -0.12 0.00 -1.14 0.00 0.00 41.12 40.52 1a7m n ASP 152 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1a7m s LYS 153 N -2.54 0.59 0.00 0.11 -0.14 -1.26 -5.06 119.74 111.45 1a7m s LYS 153 Ca -0.15 -0.66 0.00 0.00 -1.36 0.00 0.00 55.97 53.80 1a7m s LYS 153 Cb 0.07 -0.46 0.00 0.00 -1.68 0.00 0.00 37.83 35.76 1a7m s LYS 153 CO 0.77 0.10 0.00 -1.91 -0.76 0.00 0.00 175.35 173.56 1a7m n GLU 154 N 1.81 0.00 -0.17 1.68 2.13 -1.26 -2.32 120.64 122.51 1a7m n GLU 154 Ca -0.20 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.68 1a7m n GLU 154 Cb 0.55 0.00 0.11 0.00 0.27 0.00 0.00 31.44 32.37 1a7m n GLU 154 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1a7m n VAL 155 N 0.00 -0.20 0.10 6.31 0.24 -1.26 0.19 118.33 123.71 1a7m n VAL 155 Ca 0.00 1.05 -0.08 0.00 -2.04 0.00 0.00 64.34 63.28 1a7m n VAL 155 Cb 0.00 -1.51 -0.04 0.00 -1.47 0.00 0.00 33.84 30.82 1a7m n VAL 155 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1a7m h PHE 156 N 0.00 -0.64 -0.95 6.34 -1.00 -2.00 -2.89 116.94 115.80 1a7m h PHE 156 Ca 0.26 0.01 0.15 0.00 2.81 0.00 0.00 57.97 61.21 1a7m h PHE 156 Cb 0.49 0.26 -0.16 0.00 3.61 0.00 0.00 35.95 40.16 1a7m h PHE 156 CO -0.29 -0.29 -0.35 0.94 -1.61 0.00 0.00 178.31 176.72 1a7m n GLN 157 N -3.73 -0.20 -0.34 1.51 7.27 0.50 0.79 117.38 123.19 1a7m n GLN 157 Ca -0.05 1.47 0.20 0.00 0.07 0.00 0.00 57.00 58.69 1a7m n GLN 157 Cb 0.20 -2.18 0.38 0.00 2.41 0.00 0.00 30.24 31.05 1a7m n GLN 157 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1a7m n LYS 158 N -5.42 -0.07 -0.05 3.69 3.00 -1.01 0.27 118.16 118.57 1a7m n LYS 158 Ca 0.11 1.45 -0.02 0.00 -0.00 0.00 0.00 58.31 59.85 1a7m n LYS 158 Cb 0.40 -2.39 -0.13 0.00 0.00 0.00 0.00 35.03 32.90 1a7m n LYS 158 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1a7m n LYS 159 N -5.41 1.02 -0.02 1.64 5.02 -0.01 -4.31 118.16 116.09 1a7m n LYS 159 Ca 0.28 -0.07 0.13 0.00 -2.02 0.00 0.00 58.31 56.63 1a7m n LYS 159 Cb 0.92 -1.42 0.45 0.00 -0.02 0.00 0.00 35.03 34.96 1a7m n LYS 159 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1a7m n LYS 160 N -2.41 1.74 -0.18 1.97 0.00 0.24 -4.43 118.16 115.09 1a7m n LYS 160 Ca -0.18 -1.09 0.03 0.00 0.00 0.00 0.00 58.31 57.07 1a7m n LYS 160 Cb 0.81 -1.46 0.07 0.00 0.00 0.00 0.00 35.03 34.45 1a7m n LYS 160 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1a7m n LEU 161 N 0.32 -0.18 -0.00 3.14 0.00 0.77 0.10 117.00 121.15 1a7m n LEU 161 Ca 0.18 0.84 0.08 0.00 0.00 0.00 0.00 56.01 57.11 1a7m n LEU 161 Cb 0.37 -0.25 -0.11 0.00 0.00 0.00 0.00 43.42 43.42 1a7m n LEU 161 CO 0.16 -0.81 -0.40 0.61 0.00 0.00 0.00 177.39 176.95 1a7m n GLY 162 N -1.31 -0.65 0.17 -3.96 0.00 -1.26 -4.57 105.19 93.61 1a7m n GLY 162 Ca 0.08 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 1a7m n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a7m h GLN 164 N 0.43 0.00 0.11 0.00 4.20 -1.64 0.18 115.11 118.40 1a7m h GLN 164 Ca 0.15 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.65 1a7m h GLN 164 Cb 0.02 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.82 1a7m h GLN 164 CO -0.08 0.03 -0.92 -0.07 -0.67 0.00 0.00 178.83 177.12 1a7m h LEU 165 N 0.00 0.61 -1.05 1.46 -0.00 -0.95 -3.02 115.31 112.36 1a7m h LEU 165 Ca -0.00 -0.88 -0.02 0.00 -0.00 0.00 0.00 57.88 56.98 1a7m h LEU 165 Cb 0.07 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.50 1a7m h LEU 165 CO 0.00 1.43 0.38 -0.07 -0.00 0.00 0.00 178.44 180.18 1a7m h LEU 166 N -0.12 0.95 -0.19 1.67 -0.00 0.29 0.62 115.31 118.51 1a7m h LEU 166 Ca -0.15 -0.09 0.03 0.00 -0.00 0.00 0.00 57.88 57.67 1a7m h LEU 166 Cb 1.67 -0.24 -0.06 0.00 -0.00 0.00 0.00 40.66 42.03 1a7m h LEU 166 CO 0.17 0.78 -0.47 1.23 -0.00 0.00 0.00 178.44 180.16 1a7m h GLY 167 N 1.10 -1.16 0.15 0.83 0.00 -0.88 0.14 103.07 103.25 1a7m h GLY 167 Ca 0.26 0.70 -0.01 0.00 0.00 0.00 0.00 47.33 48.29 1a7m h GLY 167 CO -0.04 -0.24 -0.07 -0.91 0.00 0.00 0.00 176.54 175.28 1a7m h THR 168 N -0.44 0.00 -0.47 4.70 1.35 -1.35 -3.13 112.91 113.57 1a7m h THR 168 Ca 0.04 -0.01 0.13 0.00 -0.55 0.00 0.00 66.41 66.01 1a7m h THR 168 Cb 0.55 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.89 1a7m h THR 168 CO -0.42 0.00 -0.00 0.00 -0.25 0.00 0.00 175.52 174.85 1a7m n TYR 169 N -2.57 0.29 0.00 4.73 4.19 0.21 0.69 117.16 124.70 1a7m n TYR 169 Ca -0.02 0.57 0.00 0.00 3.31 0.00 0.00 57.90 61.75 1a7m n TYR 169 Cb 0.08 -0.84 0.00 0.00 0.49 0.00 0.00 39.34 39.07 1a7m n TYR 169 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1a7m n LYS 170 N -4.55 0.00 -0.33 2.98 4.81 0.49 0.98 118.16 122.55 1a7m n LYS 170 Ca 0.11 0.46 0.11 0.00 -0.87 0.00 0.00 58.31 58.11 1a7m n LYS 170 Cb 0.35 -1.45 0.23 0.00 0.02 0.00 0.00 35.03 34.17 1a7m n LYS 170 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1a7m h GLN 171 N 0.00 0.02 0.02 1.64 -0.00 0.32 0.37 115.11 117.48 1a7m h GLN 171 Ca 0.00 -0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.47 1a7m h GLN 171 Cb 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 27.48 27.49 1a7m h GLN 171 CO 0.00 0.02 -0.70 -0.39 0.00 0.00 0.00 178.83 177.75 1a7m h VAL 172 N 0.02 1.42 -0.82 2.39 -1.51 -0.90 -3.22 116.25 113.63 1a7m h VAL 172 Ca 0.53 -2.17 0.05 0.00 -1.23 0.00 0.00 66.70 63.88 1a7m h VAL 172 Cb 1.01 2.65 -0.06 0.00 -2.13 0.00 0.00 31.29 32.77 1a7m h VAL 172 CO -0.90 0.63 0.51 0.40 -1.23 0.00 0.00 177.57 176.99 1a7m h ILE 173 N -0.07 1.06 0.00 7.19 1.08 0.23 0.50 117.51 127.50 1a7m h ILE 173 Ca -0.09 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1a7m h ILE 173 Cb 1.42 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1a7m h ILE 173 CO 0.14 0.17 0.00 -1.54 -0.69 0.00 0.00 178.15 176.23 1a7m n SER 174 N -4.63 0.00 0.00 1.72 3.41 0.11 -0.57 113.62 113.67 1a7m n SER 174 Ca 0.11 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 1a7m n SER 174 Cb 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1a7m n SER 174 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1a7m n VAL 175 N -0.62 0.00 0.07 -3.33 0.31 0.13 -4.27 118.33 110.61 1a7m n VAL 175 Ca 0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.26 1a7m n VAL 175 Cb 0.01 -0.61 -0.13 0.00 -0.91 0.00 0.00 33.84 32.20 1a7m n VAL 175 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1a7m h VAL 176 N 0.00 1.58 0.00 2.52 -1.51 0.71 0.87 116.25 120.42 1a7m h VAL 176 Ca 0.00 -3.27 0.00 0.00 -1.23 0.00 0.00 66.70 62.20 1a7m h VAL 176 Cb 0.93 2.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.93 1a7m h VAL 176 CO 0.00 0.92 0.00 1.62 -1.23 0.00 0.00 177.57 178.88 1a7m h VAL 177 N 0.02 0.00 -0.36 7.19 3.04 -1.06 0.28 116.25 125.36 1a7m h VAL 177 Ca -0.07 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1a7m h VAL 177 Cb 1.85 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 32.56 1a7m h VAL 177 CO 0.15 0.00 0.00 1.67 -1.01 0.00 0.00 177.57 178.38 1a7m n GLN 178 N -3.03 3.11 -0.10 4.17 -0.06 -0.81 -4.39 117.38 116.27 1a7m n GLN 178 Ca 0.00 -2.59 -0.18 0.00 -2.00 0.00 0.00 57.00 52.24 1a7m n GLN 178 Cb 0.28 -1.67 -0.07 0.00 -4.06 0.00 0.00 30.24 24.72 1a7m n GLN 178 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1a7m n ALA 179 N 0.14 1.69 -0.39 1.69 0.00 0.89 -4.94 120.51 119.60 1a7m n ALA 179 Ca 0.19 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1a7m n ALA 179 Cb 0.74 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.38 1a7m n ALA 179 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47