#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 4.73 -0.33 4.33 0.04 -1.26 -5.03 135.00 137.48 1a7m s PRO 2 Ca 0.00 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.56 1a7m s PRO 2 Cb 0.00 -3.34 0.10 0.00 0.04 0.00 0.00 34.50 31.30 1a7m s PRO 2 CO 0.00 0.28 0.06 -0.51 0.04 0.00 0.00 177.00 176.87 1a7m s LEU 3 N -0.39 4.01 1.14 -3.56 2.01 -1.26 -5.12 118.68 115.50 1a7m s LEU 3 Ca 0.45 -1.98 -0.16 0.00 0.01 0.00 0.00 54.13 52.45 1a7m s LEU 3 Cb -0.25 -1.41 0.26 0.00 0.01 0.00 0.00 46.19 44.80 1a7m s LEU 3 CO 0.31 -0.38 1.09 -2.16 1.01 0.00 0.00 176.35 176.22 1a7m s PRO 4 N 1.11 -0.70 0.34 1.29 0.04 -1.26 -4.86 135.00 130.96 1a7m s PRO 4 Ca 0.10 0.19 0.24 0.00 0.04 0.00 0.00 61.00 61.57 1a7m s PRO 4 Cb -0.19 -1.63 1.19 0.00 0.04 0.00 0.00 34.50 33.91 1a7m s PRO 4 CO -0.13 -3.42 1.28 -0.89 0.04 0.00 0.00 177.00 173.88 1a7m n ILE 5 N -4.60 -0.24 -3.87 0.56 2.08 -1.26 -4.80 119.36 107.23 1a7m n ILE 5 Ca 0.09 1.52 -0.26 0.00 0.56 0.00 0.00 62.75 64.66 1a7m n ILE 5 Cb 0.58 -2.48 0.01 0.00 -0.75 0.00 0.00 39.64 37.00 1a7m n ILE 5 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1a7m n THR 6 N -4.46 -1.51 -0.05 1.39 -1.04 -1.26 -4.81 114.28 102.53 1a7m n THR 6 Ca 0.32 -0.30 -0.10 0.00 -2.04 0.00 0.00 64.05 61.93 1a7m n THR 6 Cb 1.22 -1.29 -0.04 0.00 -1.82 0.00 0.00 70.33 68.39 1a7m n THR 6 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1a7m h PRO 7 N -0.13 -0.37 -0.76 -2.82 0.13 -2.02 -3.47 132.00 122.55 1a7m h PRO 7 Ca -0.40 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1a7m h PRO 7 Cb 0.80 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1a7m h PRO 7 CO 0.29 -0.25 0.00 0.28 -0.23 0.00 0.00 178.00 178.09 1a7m n VAL 8 N -5.42 -0.72 -0.14 1.56 0.31 -1.26 -5.07 118.33 107.59 1a7m n VAL 8 Ca -0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.04 1a7m n VAL 8 Cb 0.35 -0.90 -0.11 0.00 -0.91 0.00 0.00 33.84 32.27 1a7m n VAL 8 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1a7m n ASN 9 N 0.00 1.97 0.00 4.52 0.23 -1.26 -4.98 115.26 115.73 1a7m n ASN 9 Ca 0.00 0.21 0.00 0.00 -0.53 0.00 0.00 54.58 54.26 1a7m n ASN 9 Cb 0.00 -0.71 0.00 0.00 -2.08 0.00 0.00 39.78 36.99 1a7m n ASN 9 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1a7m n ALA 10 N -3.97 1.16 -0.67 -2.53 0.00 -1.26 -4.52 120.51 108.73 1a7m n ALA 10 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1a7m n ALA 10 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.37 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 -0.16 0.00 -0.03 0.00 -2.24 -1.26 -4.90 114.28 105.69 1a7m n THR 11 Ca 0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1a7m n THR 11 Cb 0.00 1.67 0.01 0.00 -2.10 0.00 0.00 70.33 69.91 1a7m n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a7m h ALA 13 N 0.14 0.74 -0.66 0.00 0.00 -1.91 0.16 119.26 117.74 1a7m h ALA 13 Ca 0.03 0.32 -0.23 0.00 0.00 0.00 0.00 54.91 55.04 1a7m h ALA 13 Cb 0.06 0.61 -0.14 0.00 0.00 0.00 0.00 17.79 18.32 1a7m h ALA 13 CO -0.09 -0.44 0.24 0.44 0.00 0.00 0.00 179.25 179.41 1a7m n ILE 14 N -5.51 2.84 0.00 0.00 -6.64 0.16 -4.69 119.36 105.52 1a7m n ILE 14 Ca 0.15 -1.89 0.00 0.00 -1.77 0.00 0.00 62.75 59.24 1a7m n ILE 14 Cb 0.52 -0.36 0.00 0.00 -1.44 0.00 0.00 39.64 38.36 1a7m n ILE 14 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 1a7m n ARG 15 N -0.51 0.00 -3.61 6.28 1.74 0.57 -5.01 116.66 116.13 1a7m n ARG 15 Ca 0.40 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.22 1a7m n ARG 15 Cb 1.32 -0.12 -0.17 0.00 -1.02 0.00 0.00 32.46 32.47 1a7m n ARG 15 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1a7m s HIS 16 N -0.25 0.20 -0.57 -1.55 3.76 -1.22 -4.91 115.29 110.75 1a7m s HIS 16 Ca 0.00 -0.34 -0.20 0.00 -0.15 0.00 0.00 55.06 54.36 1a7m s HIS 16 Cb 0.00 -0.70 -0.18 0.00 1.11 0.00 0.00 32.58 32.80 1a7m s HIS 16 CO 0.00 -0.53 1.82 -0.35 -0.85 0.00 0.00 174.74 174.83 1a7m n PRO 17 N 5.28 1.15 0.00 8.40 -0.04 -1.26 -4.76 135.00 143.76 1a7m n PRO 17 Ca -0.07 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 1a7m n PRO 17 Cb 0.49 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 1a7m n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a7m s HIS 19 N 4.64 1.67 -0.63 0.00 3.76 -1.26 -5.04 115.29 118.42 1a7m s HIS 19 Ca 0.00 -1.33 -0.03 0.00 -0.15 0.00 0.00 55.06 53.55 1a7m s HIS 19 Cb 0.00 -0.94 0.16 0.00 1.11 0.00 0.00 32.58 32.91 1a7m s HIS 19 CO 0.00 -0.45 2.49 0.41 -0.85 0.00 0.00 174.74 176.34 1a7m n GLY 20 N -0.65 4.81 0.00 -2.22 0.00 -1.26 -4.24 105.19 101.63 1a7m n GLY 20 Ca -0.00 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1a7m n GLY 20 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1a7m n ASN 21 N 0.42 0.00 0.00 1.61 5.15 -1.26 -4.97 115.26 116.21 1a7m n ASN 21 Ca 0.51 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.49 1a7m n ASN 21 Cb 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 1a7m n ASN 21 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1a7m n LEU 22 N 0.00 0.00 0.00 1.20 7.94 -1.26 -4.85 117.00 120.03 1a7m n LEU 22 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1a7m n LEU 22 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1a7m n LEU 22 CO 0.00 0.00 0.00 0.23 -1.11 0.00 0.00 177.39 176.51 1a7m n MET 23 N -0.80 0.00 -0.05 1.96 2.81 -1.26 0.12 117.12 119.90 1a7m n MET 23 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 1a7m n MET 23 Cb 0.00 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 32.59 1a7m n MET 23 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1a7m n ASN 24 N -3.70 2.28 0.17 7.83 3.02 -1.26 -4.45 115.26 119.14 1a7m n ASN 24 Ca 0.00 -1.64 -0.13 0.00 -0.03 0.00 0.00 54.58 52.78 1a7m n ASN 24 Cb 0.00 -0.07 -0.08 0.00 -0.61 0.00 0.00 39.78 39.02 1a7m n ASN 24 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1a7m h GLN 25 N 2.30 -0.45 -0.07 3.52 -0.00 0.67 -2.81 115.11 118.27 1a7m h GLN 25 Ca 0.00 0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 58.61 1a7m h GLN 25 Cb 0.57 0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.14 1a7m h GLN 25 CO 0.00 -0.12 -0.31 -0.84 0.00 0.00 0.00 178.83 177.56 1a7m h ILE 26 N -0.85 1.25 -0.08 2.39 3.07 -1.74 -0.64 117.51 120.89 1a7m h ILE 26 Ca -0.05 -1.17 0.01 0.00 1.55 0.00 0.00 64.86 65.21 1a7m h ILE 26 Cb 0.53 1.54 -0.01 0.00 -0.27 0.00 0.00 36.82 38.61 1a7m h ILE 26 CO 0.08 0.34 0.00 0.50 -1.05 0.00 0.00 178.15 178.02 1a7m h LYS 27 N 0.11 0.03 -0.13 0.16 3.64 -1.63 -0.12 116.57 118.63 1a7m h LYS 27 Ca 0.02 -0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.17 1a7m h LYS 27 Cb 0.60 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1a7m h LYS 27 CO 0.04 0.02 -0.78 -0.91 -2.27 0.00 0.00 179.45 175.56 1a7m h ASN 28 N 0.03 0.91 -0.71 4.20 2.35 -1.33 0.34 115.58 121.38 1a7m h ASN 28 Ca 0.04 -0.65 0.11 0.00 -0.55 0.00 0.00 56.30 55.25 1a7m h ASN 28 Cb 0.04 -0.27 -0.08 0.00 0.05 0.00 0.00 38.32 38.06 1a7m h ASN 28 CO -0.06 1.41 0.32 1.56 -1.65 0.00 0.00 177.43 179.00 1a7m h GLN 29 N 0.47 0.50 0.12 0.81 1.08 -0.85 -3.09 115.11 114.15 1a7m h GLN 29 Ca -0.06 -0.03 -0.18 0.00 -1.45 0.00 0.00 58.65 56.93 1a7m h GLN 29 Cb 1.41 -0.11 0.01 0.00 -0.05 0.00 0.00 27.48 28.74 1a7m h GLN 29 CO 0.16 0.33 -0.85 1.25 -0.95 0.00 0.00 178.83 178.77 1a7m h LEU 30 N 0.52 0.39 -0.88 1.46 6.46 -1.03 -3.37 115.31 118.85 1a7m h LEU 30 Ca 0.37 -0.93 0.17 0.00 -0.12 0.00 0.00 57.88 57.37 1a7m h LEU 30 Cb 0.46 -0.13 -0.17 0.00 -0.73 0.00 0.00 40.66 40.10 1a7m h LEU 30 CO -0.32 1.39 -0.23 0.00 -0.62 0.00 0.00 178.44 178.67 1a7m n ALA 31 N -2.74 0.20 -0.34 1.25 0.00 0.11 0.20 120.51 119.19 1a7m n ALA 31 Ca -0.16 0.97 0.13 0.00 0.00 0.00 0.00 53.44 54.37 1a7m n ALA 31 Cb 0.80 -0.57 0.31 0.00 0.00 0.00 0.00 19.45 19.99 1a7m n ALA 31 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1a7m h GLN 32 N 0.00 0.65 0.09 0.00 4.20 -1.72 0.99 115.11 119.31 1a7m h GLN 32 Ca 0.42 -0.04 -0.25 0.00 0.06 0.00 0.00 58.65 58.84 1a7m h GLN 32 Cb 0.64 -0.15 0.02 0.00 0.30 0.00 0.00 27.48 28.30 1a7m h GLN 32 CO -0.91 0.43 -1.02 -0.07 -0.67 0.00 0.00 178.83 176.59 1a7m h LEU 33 N 0.67 0.75 -0.36 1.46 3.38 0.21 -2.66 115.31 118.76 1a7m h LEU 33 Ca 0.57 -0.82 0.07 0.00 0.09 0.00 0.00 57.88 57.79 1a7m h LEU 33 Cb 0.93 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.35 1a7m h LEU 33 CO -0.41 1.49 -0.35 -1.13 0.09 0.00 0.00 178.44 178.14 1a7m h ASN 34 N 0.11 -1.14 -0.79 -0.43 -1.24 0.18 1.92 115.58 114.19 1a7m h ASN 34 Ca -0.15 0.19 0.18 0.00 0.71 0.00 0.00 56.30 57.23 1a7m h ASN 34 Cb 1.73 0.52 -0.12 0.00 0.73 0.00 0.00 38.32 41.18 1a7m h ASN 34 CO 0.20 -0.34 0.22 1.23 -1.29 0.00 0.00 177.43 177.45 1a7m h GLY 35 N -0.29 1.16 2.00 1.57 0.00 -0.98 0.68 103.07 107.21 1a7m h GLY 35 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1a7m h GLY 35 CO -0.52 -0.25 0.00 1.76 0.00 0.00 0.00 176.54 177.53 1a7m h SER 36 N 0.27 0.00 -0.63 0.19 0.02 0.85 0.22 113.55 114.47 1a7m h SER 36 Ca 0.47 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.55 1a7m h SER 36 Cb 0.84 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 1a7m h SER 36 CO -0.55 0.00 0.43 0.00 -1.14 0.00 0.00 176.83 175.57 1a7m h ALA 37 N 2.01 2.18 0.00 3.77 0.00 0.88 1.31 119.26 129.41 1a7m h ALA 37 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1a7m h ALA 37 Cb 0.77 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1a7m h ALA 37 CO 0.00 -0.34 -1.14 -1.71 0.00 0.00 0.00 179.25 176.06 1a7m n ASN 38 N -4.45 1.85 0.00 0.00 4.05 -0.94 -3.82 115.26 111.96 1a7m n ASN 38 Ca 0.11 0.48 0.00 0.00 0.45 0.00 0.00 54.58 55.62 1a7m n ASN 38 Cb 0.49 -0.92 0.00 0.00 1.23 0.00 0.00 39.78 40.58 1a7m n ASN 38 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1a7m n ALA 39 N -3.58 -0.15 -0.22 5.20 0.00 0.73 -1.54 120.51 120.96 1a7m n ALA 39 Ca -0.26 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.12 1a7m n ALA 39 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 1a7m n ALA 39 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1a7m n LEU 40 N -1.20 -0.56 -0.35 0.00 -0.00 0.44 0.18 117.00 115.50 1a7m n LEU 40 Ca 0.00 1.14 -0.09 0.00 -0.00 0.00 0.00 56.01 57.05 1a7m n LEU 40 Cb 0.00 -0.22 -0.08 0.00 -0.00 0.00 0.00 43.42 43.11 1a7m n LEU 40 CO 0.00 -0.86 0.46 0.33 -0.00 0.00 0.00 177.39 177.31 1a7m n PHE 41 N -4.31 -0.37 -0.14 1.96 7.35 -0.38 0.14 117.46 121.71 1a7m n PHE 41 Ca 0.01 1.05 -0.06 0.00 -0.76 0.00 0.00 57.45 57.70 1a7m n PHE 41 Cb 0.14 -0.56 0.03 0.00 0.35 0.00 0.00 39.48 39.43 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 0.96 0.00 -2.13 5.03 0.80 0.27 117.51 122.44 1a7m h ILE 42 Ca 0.13 -0.15 0.00 0.00 -0.12 0.00 0.00 64.86 64.73 1a7m h ILE 42 Cb 0.34 0.49 0.00 0.00 -3.03 0.00 0.00 36.82 34.63 1a7m h ILE 42 CO -0.79 0.08 0.00 -1.20 -0.68 0.00 0.00 178.15 175.56 1a7m n SER 43 N -4.92 0.44 -0.03 1.72 7.64 0.19 -2.19 113.62 116.47 1a7m n SER 43 Ca 0.03 0.59 -0.02 0.00 1.01 0.00 0.00 58.87 60.48 1a7m n SER 43 Cb 0.12 -0.69 -0.01 0.00 -1.01 0.00 0.00 64.21 62.62 1a7m n SER 43 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1a7m h TYR 44 N 0.00 0.00 -0.95 1.43 3.20 0.27 -3.37 116.97 117.55 1a7m h TYR 44 Ca 0.00 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.06 1a7m h TYR 44 Cb 0.40 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.58 1a7m h TYR 44 CO 0.00 0.00 0.61 0.10 -1.64 0.00 0.00 178.16 177.23 1a7m h TYR 45 N -0.45 0.78 -0.58 -3.82 -0.00 -0.60 0.82 116.97 113.12 1a7m h TYR 45 Ca 0.00 0.02 0.09 0.00 0.00 0.00 0.00 58.73 58.85 1a7m h TYR 45 Cb 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 36.73 36.64 1a7m h TYR 45 CO -0.08 0.20 0.39 1.79 -0.00 0.00 0.00 178.16 180.46 1a7m h THR 46 N 0.58 0.90 -0.01 -0.90 1.35 -1.63 -0.12 112.91 113.08 1a7m h THR 46 Ca 0.52 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 66.24 1a7m h THR 46 Cb 1.03 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1a7m h THR 46 CO -0.26 0.07 -0.20 0.00 -0.25 0.00 0.00 175.52 174.88 1a7m n ALA 47 N -2.52 2.97 0.08 6.62 0.00 0.27 -3.73 120.51 124.19 1a7m n ALA 47 Ca 0.09 -0.41 -0.10 0.00 0.00 0.00 0.00 53.44 53.01 1a7m n ALA 47 Cb 0.36 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.55 1a7m n ALA 47 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1a7m h GLN 48 N 1.46 0.10 0.00 0.00 1.08 -0.84 -3.39 115.11 113.52 1a7m h GLN 48 Ca 0.00 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1a7m h GLN 48 Cb 0.51 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1a7m h GLN 48 CO 0.00 1.08 0.00 0.41 -0.95 0.00 0.00 178.83 179.37 1a7m n GLY 49 N 1.42 1.61 3.14 3.46 0.00 -1.19 -4.83 105.19 108.80 1a7m n GLY 49 Ca -0.03 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.15 1a7m n GLY 49 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1a7m n GLU 50 N 2.08 -0.64 -1.71 1.61 -0.00 -1.26 -4.53 120.64 116.20 1a7m n GLU 50 Ca 0.00 -0.18 -0.43 0.00 -0.00 0.00 0.00 57.16 56.56 1a7m n GLU 50 Cb 0.00 -1.35 -0.03 0.00 -0.00 0.00 0.00 31.44 30.06 1a7m n GLU 50 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1a7m s PRO 51 N -2.70 3.32 0.00 3.44 0.04 -1.26 -5.08 135.00 132.75 1a7m s PRO 51 Ca 0.46 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1a7m s PRO 51 Cb -0.04 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1a7m s PRO 51 CO 0.68 -1.89 0.00 0.34 0.04 0.00 0.00 177.00 176.17 1a7m n PHE 52 N 10.80 -0.18 0.01 0.56 -0.00 -1.26 -4.71 117.46 122.67 1a7m n PHE 52 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.72 1a7m n PHE 52 Cb 0.45 0.28 0.00 0.00 -0.00 0.00 0.00 39.48 40.21 1a7m n PHE 52 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1a7m n PRO 53 N -1.83 0.00 -0.07 -7.13 -0.04 -1.26 0.19 135.00 124.86 1a7m n PRO 53 Ca 0.00 0.30 -0.10 0.00 -0.04 0.00 0.00 63.50 63.67 1a7m n PRO 53 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1a7m n PRO 53 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1a7m n ASN 54 N -1.30 2.69 -0.33 3.54 6.94 -1.26 -4.70 115.26 120.83 1a7m n ASN 54 Ca 0.00 -0.07 0.06 0.00 -0.02 0.00 0.00 54.58 54.55 1a7m n ASN 54 Cb 0.00 -0.06 0.13 0.00 -2.36 0.00 0.00 39.78 37.49 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 -2.86 2.69 -0.30 0.53 3.02 0.13 -4.57 115.26 113.91 1a7m n ASN 55 Ca -0.26 -2.57 -0.05 0.00 -0.03 0.00 0.00 54.58 51.68 1a7m n ASN 55 Cb 0.80 -0.30 0.07 0.00 -0.61 0.00 0.00 39.78 39.75 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 0.77 1.06 -0.01 3.41 8.10 0.18 0.10 115.31 128.93 1a7m h LEU 56 Ca 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 57.88 57.86 1a7m h LEU 56 Cb 0.91 -0.27 0.00 0.00 -0.44 0.00 0.00 40.66 40.85 1a7m h LEU 56 CO 0.05 0.89 0.00 0.47 -4.11 0.00 0.00 178.44 175.74 1a7m n ASP 57 N -4.35 0.00 -0.01 0.17 8.00 -1.26 0.16 116.55 119.26 1a7m n ASP 57 Ca 0.08 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.08 1a7m n ASP 57 Cb 0.13 -0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.68 1a7m n ASP 57 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1a7m n LYS 58 N -1.51 1.54 -0.00 -1.24 4.81 0.10 -4.44 118.16 117.42 1a7m n LYS 58 Ca 0.01 -0.03 0.03 0.00 -0.87 0.00 0.00 58.31 57.45 1a7m n LYS 58 Cb 0.05 -1.13 -0.04 0.00 0.02 0.00 0.00 35.03 33.93 1a7m n LYS 58 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1a7m n LEU 59 N -1.92 0.23 -2.89 3.14 4.32 0.13 -4.73 117.00 115.27 1a7m n LEU 59 Ca -0.04 -0.40 -0.15 0.00 -0.02 0.00 0.00 56.01 55.40 1a7m n LEU 59 Cb 0.39 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.18 1a7m n LEU 59 CO 0.11 0.06 -0.14 0.00 -1.22 0.00 0.00 177.39 176.20 1a7m n GLY 61 N 0.05 -1.13 2.60 0.00 0.00 -1.11 -3.89 105.19 101.71 1a7m n GLY 61 Ca 0.19 0.29 -0.39 0.00 0.00 0.00 0.00 46.02 46.10 1a7m n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a7m n PRO 62 N -1.78 4.59 -3.76 1.61 -0.04 -1.26 -2.99 135.00 131.37 1a7m n PRO 62 Ca 0.00 -3.91 -0.35 0.00 -0.04 0.00 0.00 63.50 59.20 1a7m n PRO 62 Cb 0.00 -2.48 -0.10 0.00 -0.04 0.00 0.00 33.50 30.88 1a7m n PRO 62 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1a7m s ASN 63 N -0.55 5.09 -0.06 3.54 0.01 -1.26 -4.83 114.94 116.88 1a7m s ASN 63 Ca 0.48 -2.87 0.18 0.00 -0.71 0.00 0.00 52.86 49.93 1a7m s ASN 63 Cb 0.23 -1.82 0.61 0.00 0.41 0.00 0.00 41.25 40.68 1a7m s ASN 63 CO -0.16 -0.35 1.50 0.55 -1.51 0.00 0.00 177.10 177.14 1a7m n VAL 64 N 3.43 1.30 0.00 1.60 3.14 -1.26 -4.60 118.33 121.95 1a7m n VAL 64 Ca 0.07 -0.96 0.00 0.00 -2.96 0.00 0.00 64.34 60.49 1a7m n VAL 64 Cb 0.37 0.22 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 1a7m n VAL 64 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1a7m n THR 65 N 1.14 0.00 -2.43 1.55 5.66 -1.26 -0.22 114.28 118.72 1a7m n THR 65 Ca 0.22 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.25 1a7m n THR 65 Cb 0.69 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.49 1a7m n THR 65 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1a7m n ASP 66 N -1.31 0.81 -4.58 1.09 2.03 -1.26 -5.04 116.55 108.29 1a7m n ASP 66 Ca 0.00 -2.00 -0.42 0.00 0.52 0.00 0.00 54.79 52.89 1a7m n ASP 66 Cb 0.00 -0.26 -0.02 0.00 -0.72 0.00 0.00 41.12 40.11 1a7m n ASP 66 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1a7m s PHE 67 N 0.00 2.51 0.31 -0.67 0.08 0.69 -4.93 117.98 115.97 1a7m s PHE 67 Ca 0.29 0.42 -0.29 0.00 0.12 0.00 0.00 56.93 57.47 1a7m s PHE 67 Cb 0.33 -4.49 -0.13 0.00 -0.57 0.00 0.00 43.02 38.17 1a7m s PHE 67 CO -0.15 -1.71 1.26 -0.35 -0.10 0.00 0.00 175.22 174.18 1a7m n PRO 68 N 8.52 1.95 -0.93 0.24 -0.04 -1.26 -4.79 135.00 138.69 1a7m n PRO 68 Ca 0.09 0.69 -0.17 0.00 -0.04 0.00 0.00 63.50 64.07 1a7m n PRO 68 Cb 0.49 -2.25 0.03 0.00 -0.04 0.00 0.00 33.50 31.73 1a7m n PRO 68 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1a7m n PRO 69 N 0.93 1.83 0.00 0.54 -0.04 -1.26 -4.91 135.00 132.09 1a7m n PRO 69 Ca 0.07 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 1a7m n PRO 69 Cb 0.34 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.45 0.00 -3.85 0.54 7.35 -1.26 -4.84 117.46 115.85 1a7m n PHE 70 Ca 0.31 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.71 1a7m n PHE 70 Cb 0.58 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 40.28 1a7m n PHE 70 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1a7m s HIS 71 N 0.00 3.09 -0.03 -5.13 3.76 -1.26 -4.98 115.29 110.74 1a7m s HIS 71 Ca 0.00 -3.11 -0.00 0.00 -0.15 0.00 0.00 55.06 51.79 1a7m s HIS 71 Cb 0.00 -2.51 -0.01 0.00 1.11 0.00 0.00 32.58 31.18 1a7m s HIS 71 CO 0.00 -0.65 0.52 0.00 -0.85 0.00 0.00 174.74 173.77 1a7m n ALA 72 N 2.53 0.26 -2.11 -1.40 0.00 -1.26 -4.68 120.51 113.85 1a7m n ALA 72 Ca 0.15 -0.49 -0.39 0.00 0.00 0.00 0.00 53.44 52.71 1a7m n ALA 72 Cb 0.35 -0.30 0.03 0.00 0.00 0.00 0.00 19.45 19.53 1a7m n ALA 72 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a7m n ASN 73 N 2.24 7.43 -3.54 0.00 3.02 -1.26 -4.86 115.26 118.29 1a7m n ASN 73 Ca 0.02 -3.73 -0.10 0.00 -0.03 0.00 0.00 54.58 50.74 1a7m n ASN 73 Cb 0.24 -1.12 -0.00 0.00 -0.61 0.00 0.00 39.78 38.28 1a7m n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a7m n GLY 74 N -0.22 -0.14 3.01 7.41 0.00 -1.26 -4.92 105.19 109.07 1a7m n GLY 74 Ca 0.52 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 46.37 1a7m n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a7m s THR 75 N -4.26 1.01 0.09 2.61 -4.23 -1.26 -5.01 115.64 104.60 1a7m s THR 75 Ca 0.08 -0.43 -0.32 0.00 -1.18 0.00 0.00 61.69 59.84 1a7m s THR 75 Cb -0.04 -0.92 -0.15 0.00 1.34 0.00 0.00 72.50 72.72 1a7m s THR 75 CO 0.22 0.32 1.61 -0.08 -0.54 0.00 0.00 174.62 176.15 1a7m h GLU 76 N 6.82 -0.79 -0.57 3.99 4.81 -1.98 0.28 114.58 127.12 1a7m h GLU 76 Ca -0.33 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.07 1a7m h GLU 76 Cb 1.18 0.18 -0.08 0.00 0.63 0.00 0.00 28.75 30.66 1a7m h GLU 76 CO 0.48 -0.53 0.10 1.57 -0.73 0.00 0.00 179.01 179.90 1a7m h LYS 77 N -0.82 0.23 -0.36 1.92 2.10 -1.97 0.21 116.57 117.87 1a7m h LYS 77 Ca -0.05 -0.01 -0.17 0.00 -2.00 0.00 0.00 60.65 58.42 1a7m h LYS 77 Cb 0.71 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1a7m h LYS 77 CO -0.00 0.15 -0.44 0.00 -2.00 0.00 0.00 179.45 177.16 1a7m h ALA 78 N 1.46 0.53 -0.04 0.07 0.00 -1.77 0.51 119.26 120.03 1a7m h ALA 78 Ca 0.30 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1a7m h ALA 78 Cb 0.44 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1a7m h ALA 78 CO -0.40 0.68 0.02 0.87 0.00 0.00 0.00 179.25 180.43 1a7m h LYS 79 N 0.74 0.06 0.06 0.00 1.57 0.05 -0.22 116.57 118.83 1a7m h LYS 79 Ca 0.05 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1a7m h LYS 79 Cb 1.04 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1a7m h LYS 79 CO 0.10 0.08 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.97 1a7m h LEU 80 N 0.01 -0.07 -0.86 2.94 4.07 -0.58 -2.66 115.31 118.17 1a7m h LEU 80 Ca 0.01 -0.53 -0.01 0.00 0.08 0.00 0.00 57.88 57.43 1a7m h LEU 80 Cb 0.04 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.76 1a7m h LEU 80 CO -0.00 0.64 0.49 0.58 -1.08 0.00 0.00 178.44 179.07 1a7m h VAL 81 N -0.92 1.24 -0.15 1.22 2.07 -0.04 0.26 116.25 119.93 1a7m h VAL 81 Ca -0.01 -0.58 -0.15 0.00 0.82 0.00 0.00 66.70 66.79 1a7m h VAL 81 Cb 0.60 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1a7m h VAL 81 CO 0.01 0.27 -0.48 -0.08 0.02 0.00 0.00 177.57 177.31 1a7m h GLU 82 N 1.19 0.59 0.78 1.57 4.57 -1.13 -0.70 114.58 121.44 1a7m h GLU 82 Ca 0.30 -0.43 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 1a7m h GLU 82 Cb -0.01 0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1a7m h GLU 82 CO -0.05 1.05 -0.39 1.25 -1.18 0.00 0.00 179.01 179.70 1a7m h LEU 83 N 0.24 -0.92 0.00 1.64 7.12 -1.27 0.16 115.31 122.28 1a7m h LEU 83 Ca -0.02 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.03 1a7m h LEU 83 Cb 1.10 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.47 1a7m h LEU 83 CO 0.10 -0.65 0.00 0.00 -0.13 0.00 0.00 178.44 177.77 1a7m n TYR 84 N -5.55 0.00 -0.34 1.25 4.19 0.90 -0.37 117.16 117.24 1a7m n TYR 84 Ca -0.15 0.00 -0.10 0.00 3.31 0.00 0.00 57.90 60.96 1a7m n TYR 84 Cb 0.43 -0.48 -0.08 0.00 0.49 0.00 0.00 39.34 39.70 1a7m n TYR 84 CO 0.00 0.00 0.00 -0.09 0.91 0.00 0.00 176.86 177.68 1a7m h ARG 85 N 0.00 -0.09 -0.74 2.98 9.65 -1.11 0.83 114.38 125.89 1a7m h ARG 85 Ca 0.00 0.01 0.15 0.00 -1.10 0.00 0.00 59.98 59.04 1a7m h ARG 85 Cb 0.00 0.02 -0.14 0.00 -1.39 0.00 0.00 29.97 28.46 1a7m h ARG 85 CO 0.00 -0.06 -0.18 1.98 2.80 0.00 0.00 179.97 184.51 1a7m h MET 86 N -0.10 0.00 0.00 0.20 4.05 -0.19 0.33 114.93 119.23 1a7m h MET 86 Ca 0.17 -0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.48 1a7m h MET 86 Cb 0.48 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 1a7m h MET 86 CO -0.86 0.00 -0.49 0.28 0.23 0.00 0.00 176.91 176.08 1a7m h VAL 87 N 0.00 1.14 -0.11 -5.77 2.07 0.16 0.23 116.25 113.98 1a7m h VAL 87 Ca 0.36 -1.79 -0.16 0.00 0.82 0.00 0.00 66.70 65.93 1a7m h VAL 87 Cb 0.55 2.02 0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1a7m h VAL 87 CO -0.76 0.48 -0.57 0.00 0.02 0.00 0.00 177.57 176.74 1a7m h ALA 88 N 1.51 0.21 -0.02 1.67 0.00 0.44 1.04 119.26 124.11 1a7m h ALA 88 Ca -0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 1a7m h ALA 88 Cb 0.98 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1a7m h ALA 88 CO 0.06 0.44 -0.49 0.10 0.00 0.00 0.00 179.25 179.37 1a7m h TYR 89 N 0.20 0.53 0.13 0.00 -0.00 -1.06 -2.75 116.97 114.02 1a7m h TYR 89 Ca -0.04 -0.27 0.02 0.00 0.00 0.00 0.00 58.73 58.43 1a7m h TYR 89 Cb 1.21 -0.07 -0.03 0.00 0.00 0.00 0.00 36.73 37.84 1a7m h TYR 89 CO 0.11 1.07 -0.26 1.25 -0.00 0.00 0.00 178.16 180.33 1a7m h LEU 90 N -0.16 -0.73 -0.45 0.10 7.12 -0.97 0.54 115.31 120.77 1a7m h LEU 90 Ca -0.05 0.08 0.08 0.00 0.13 0.00 0.00 57.88 58.12 1a7m h LEU 90 Cb 1.19 0.27 -0.10 0.00 -0.53 0.00 0.00 40.66 41.50 1a7m h LEU 90 CO 0.10 -0.35 -0.37 0.77 -0.13 0.00 0.00 178.44 178.46 1a7m h SER 91 N -0.47 -1.23 -0.02 1.25 4.64 0.11 -0.65 113.55 117.18 1a7m h SER 91 Ca 0.03 0.21 0.02 0.00 -0.47 0.00 0.00 61.79 61.58 1a7m h SER 91 Cb 0.49 0.57 -0.05 0.00 -0.31 0.00 0.00 62.40 63.10 1a7m h SER 91 CO -0.14 -0.33 -0.51 0.00 -0.87 0.00 0.00 176.83 174.98 1a7m h ALA 92 N 0.70 -0.92 0.00 5.18 0.00 -1.08 0.35 119.26 123.48 1a7m h ALA 92 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1a7m h ALA 92 Cb 0.56 0.94 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1a7m h ALA 92 CO -0.59 -1.08 0.21 -1.13 0.00 0.00 0.00 179.25 176.67 1a7m n SER 93 N -5.28 0.32 -0.02 0.00 3.41 0.12 0.69 113.62 112.86 1a7m n SER 93 Ca -0.07 0.56 -0.21 0.00 -0.26 0.00 0.00 58.87 58.89 1a7m n SER 93 Cb 0.37 -0.54 -0.14 0.00 -0.26 0.00 0.00 64.21 63.65 1a7m n SER 93 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1a7m n LEU 94 N -1.96 2.60 0.03 1.04 4.32 0.31 -4.15 117.00 119.19 1a7m n LEU 94 Ca -0.01 0.20 -0.12 0.00 -0.02 0.00 0.00 56.01 56.06 1a7m n LEU 94 Cb 0.23 -1.09 -0.09 0.00 -1.62 0.00 0.00 43.42 40.85 1a7m n LEU 94 CO 0.05 0.81 0.54 0.74 -1.22 0.00 0.00 177.39 178.32 1a7m h THR 95 N -0.03 1.14 -0.38 -5.08 2.02 0.40 -1.95 112.91 109.03 1a7m h THR 95 Ca -0.43 -1.11 0.06 0.00 0.77 0.00 0.00 66.41 65.70 1a7m h THR 95 Cb 1.96 1.82 -0.09 0.00 -1.74 0.00 0.00 68.15 70.11 1a7m h THR 95 CO 0.04 0.26 -0.47 -0.55 0.37 0.00 0.00 175.52 175.17 1a7m h ASN 96 N -0.66 -1.56 -0.91 4.18 -1.07 -1.42 0.14 115.58 114.28 1a7m h ASN 96 Ca -0.01 0.22 0.10 0.00 0.07 0.00 0.00 56.30 56.68 1a7m h ASN 96 Cb 0.53 0.66 -0.08 0.00 -2.07 0.00 0.00 38.32 37.36 1a7m h ASN 96 CO 0.02 -0.39 0.55 -0.29 0.07 0.00 0.00 177.43 177.39 1a7m h ILE 97 N -0.37 0.92 -0.69 6.14 6.09 -1.72 -1.97 117.51 125.92 1a7m h ILE 97 Ca 0.11 -0.31 0.11 0.00 -1.37 0.00 0.00 64.86 63.41 1a7m h ILE 97 Cb 0.60 -0.05 -0.11 0.00 0.47 0.00 0.00 36.82 37.72 1a7m h ILE 97 CO -0.57 0.16 -0.25 0.41 -3.07 0.00 0.00 178.15 174.84 1a7m n THR 98 N -4.68 -0.35 0.17 2.19 -1.04 0.46 -0.44 114.28 110.59 1a7m n THR 98 Ca 0.16 1.61 -0.07 0.00 -2.04 0.00 0.00 64.05 63.70 1a7m n THR 98 Cb 0.30 -2.14 -0.03 0.00 -1.82 0.00 0.00 70.33 66.63 1a7m n THR 98 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1a7m h ARG 99 N 0.00 -0.45 -0.67 -2.82 3.08 -1.29 -0.05 114.38 112.17 1a7m h ARG 99 Ca 0.26 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.43 1a7m h ARG 99 Cb 0.43 0.10 -0.10 0.00 0.08 0.00 0.00 29.97 30.48 1a7m h ARG 99 CO -0.69 -0.30 -0.30 -0.25 -1.07 0.00 0.00 179.97 177.36 1a7m n ASP 100 N -4.18 -0.52 -0.14 7.04 8.00 0.05 0.10 116.55 126.91 1a7m n ASP 100 Ca -0.06 1.18 -0.10 0.00 0.71 0.00 0.00 54.79 56.52 1a7m n ASP 100 Cb 0.18 -0.24 -0.01 0.00 -0.02 0.00 0.00 41.12 41.03 1a7m n ASP 100 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1a7m h GLN 101 N 0.00 0.71 -0.46 -1.24 1.08 -0.84 0.45 115.11 114.81 1a7m h GLN 101 Ca 0.20 -0.22 0.13 0.00 -1.45 0.00 0.00 58.65 57.31 1a7m h GLN 101 Cb 0.37 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1a7m h GLN 101 CO -0.66 0.79 0.45 -0.22 -0.95 0.00 0.00 178.83 178.25 1a7m h LYS 102 N 0.54 0.00 0.00 1.46 3.64 0.27 0.13 116.57 122.60 1a7m h LYS 102 Ca 0.11 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.28 1a7m h LYS 102 Cb 0.47 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1a7m h LYS 102 CO 0.02 0.00 -2.22 0.28 -2.27 0.00 0.00 179.45 175.27 1a7m n VAL 103 N -3.81 0.79 0.10 2.00 0.31 -0.08 -4.53 118.33 113.12 1a7m n VAL 103 Ca 0.08 -0.70 -0.17 0.00 -0.01 0.00 0.00 64.34 63.54 1a7m n VAL 103 Cb 0.64 -0.26 -0.12 0.00 -0.91 0.00 0.00 33.84 33.19 1a7m n VAL 103 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1a7m h LEU 104 N 0.00 0.53 -7.95 7.52 3.38 0.24 -3.48 115.31 115.56 1a7m h LEU 104 Ca -0.31 -0.54 -0.17 0.00 0.09 0.00 0.00 57.88 56.95 1a7m h LEU 104 Cb 1.71 -0.17 -0.21 0.00 0.09 0.00 0.00 40.66 42.07 1a7m h LEU 104 CO 0.02 1.40 -0.68 0.20 0.09 0.00 0.00 178.44 179.47 1a7m s ASN 105 N -7.22 0.21 0.00 -0.43 -0.87 -0.32 -4.97 114.94 101.34 1a7m s ASN 105 Ca -0.05 -0.45 0.07 0.00 -1.57 0.00 0.00 52.86 50.85 1a7m s ASN 105 Cb 0.07 0.11 0.39 0.00 -0.02 0.00 0.00 41.25 41.80 1a7m s ASN 105 CO 0.89 -0.30 0.94 -0.81 -2.57 0.00 0.00 177.10 175.25 1a7m n PRO 106 N 1.62 0.18 0.01 -0.60 -0.04 -1.26 -0.77 135.00 134.15 1a7m n PRO 106 Ca -0.24 0.07 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 1a7m n PRO 106 Cb 0.55 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1a7m n PRO 106 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1a7m n SER 107 N -1.09 0.66 -0.32 3.54 2.88 -1.26 -4.65 113.62 113.38 1a7m n SER 107 Ca 0.05 0.09 0.16 0.00 -1.33 0.00 0.00 58.87 57.84 1a7m n SER 107 Cb 0.03 -0.21 0.36 0.00 -0.75 0.00 0.00 64.21 63.63 1a7m n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a7m h ALA 108 N -0.07 1.58 -0.98 -1.46 0.00 -1.74 0.78 119.26 117.36 1a7m h ALA 108 Ca -0.03 0.17 0.30 0.00 0.00 0.00 0.00 54.91 55.36 1a7m h ALA 108 Cb 0.56 0.16 -0.15 0.00 0.00 0.00 0.00 17.79 18.37 1a7m h ALA 108 CO -0.02 -0.41 0.51 -0.24 0.00 0.00 0.00 179.25 179.10 1a7m h VAL 109 N 0.37 0.32 -0.09 0.00 3.04 -1.02 0.58 116.25 119.46 1a7m h VAL 109 Ca 0.61 -0.11 -0.03 0.00 -1.01 0.00 0.00 66.70 66.16 1a7m h VAL 109 Cb 1.24 -0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.48 1a7m h VAL 109 CO -0.56 0.06 -0.08 0.28 -1.01 0.00 0.00 177.57 176.26 1a7m h SER 110 N 0.33 0.22 -0.39 3.17 0.02 0.30 -2.72 113.55 114.47 1a7m h SER 110 Ca 0.69 -0.47 0.08 0.00 -0.84 0.00 0.00 61.79 61.26 1a7m h SER 110 Cb 1.53 -0.06 -0.09 0.00 0.14 0.00 0.00 62.40 63.92 1a7m h SER 110 CO -0.60 0.65 -0.27 0.25 -1.14 0.00 0.00 176.83 175.72 1a7m h LEU 111 N -0.20 -0.89 -0.68 5.07 6.46 0.64 0.44 115.31 126.15 1a7m h LEU 111 Ca 0.02 0.17 0.10 0.00 -0.12 0.00 0.00 57.88 58.05 1a7m h LEU 111 Cb 0.58 0.44 -0.07 0.00 -0.73 0.00 0.00 40.66 40.88 1a7m h LEU 111 CO 0.02 -0.28 0.31 1.12 -0.62 0.00 0.00 178.44 178.98 1a7m h HIS 112 N -0.20 0.54 -0.67 1.25 2.07 -0.78 0.20 115.15 117.55 1a7m h HIS 112 Ca 0.18 0.03 0.12 0.00 -2.85 0.00 0.00 60.37 57.85 1a7m h HIS 112 Cb 0.50 -0.14 -0.12 0.00 2.57 0.00 0.00 27.41 30.21 1a7m h HIS 112 CO -0.49 0.17 -0.33 1.03 -3.07 0.00 0.00 177.93 175.24 1a7m h SER 113 N 0.52 -1.16 -0.04 3.10 0.87 -0.59 0.67 113.55 116.92 1a7m h SER 113 Ca 0.34 0.24 0.02 0.00 -1.23 0.00 0.00 61.79 61.16 1a7m h SER 113 Cb 0.40 0.59 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 1a7m h SER 113 CO -0.29 -0.30 -0.09 0.11 -0.53 0.00 0.00 176.83 175.73 1a7m h LYS 114 N -0.12 -0.14 -0.93 2.24 1.79 -0.76 -1.98 116.57 116.68 1a7m h LYS 114 Ca 0.26 0.01 0.17 0.00 -2.18 0.00 0.00 60.65 58.91 1a7m h LYS 114 Cb 0.56 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 31.14 1a7m h LYS 114 CO -0.74 -0.09 0.52 1.25 -1.08 0.00 0.00 179.45 179.30 1a7m h LEU 115 N -0.15 0.64 -0.10 2.94 5.85 0.11 -0.96 115.31 123.65 1a7m h LEU 115 Ca 0.05 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1a7m h LEU 115 Cb 0.21 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1a7m h LEU 115 CO -0.12 0.24 -0.28 0.78 -0.34 0.00 0.00 178.44 178.72 1a7m h ASN 116 N 0.69 -0.84 0.16 1.25 4.21 1.00 0.27 115.58 122.31 1a7m h ASN 116 Ca 0.52 0.13 -0.00 0.00 1.21 0.00 0.00 56.30 58.15 1a7m h ASN 116 Cb 0.77 0.36 -0.01 0.00 -1.12 0.00 0.00 38.32 38.32 1a7m h ASN 116 CO -0.38 -0.33 -0.22 0.00 -1.29 0.00 0.00 177.43 175.22 1a7m h ALA 117 N 0.50 -0.87 -0.69 -0.83 0.00 -0.95 0.69 119.26 117.12 1a7m h ALA 117 Ca 0.09 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1a7m h ALA 117 Cb 0.50 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 1a7m h ALA 117 CO -0.30 -0.89 -0.43 1.79 0.00 0.00 0.00 179.25 179.42 1a7m h THR 118 N -0.39 0.00 -0.83 0.00 1.35 -1.05 0.41 112.91 112.40 1a7m h THR 118 Ca -0.02 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 65.99 1a7m h THR 118 Cb 0.35 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 66.62 1a7m h THR 118 CO -0.06 0.00 -0.27 0.40 -0.25 0.00 0.00 175.52 175.34 1a7m h ILE 119 N -0.02 0.12 0.11 6.82 2.04 -0.27 0.74 117.51 127.05 1a7m h ILE 119 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 1a7m h ILE 119 Cb 0.31 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1a7m h ILE 119 CO -0.66 0.00 -0.05 -0.78 0.00 0.00 0.00 178.15 176.65 1a7m h ASP 120 N -0.03 -0.12 -0.49 1.72 3.58 0.12 0.38 116.42 121.58 1a7m h ASP 120 Ca 0.36 -0.40 0.12 0.00 0.42 0.00 0.00 57.03 57.54 1a7m h ASP 120 Cb 0.60 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 1a7m h ASP 120 CO -0.86 0.50 0.35 -0.37 -2.88 0.00 0.00 179.24 175.98 1a7m h VAL 121 N -0.93 0.80 -0.01 2.25 -1.51 -0.11 0.41 116.25 117.15 1a7m h VAL 121 Ca -0.01 -0.04 -0.04 0.00 -1.23 0.00 0.00 66.70 65.38 1a7m h VAL 121 Cb 0.52 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 1a7m h VAL 121 CO 0.02 0.02 -0.15 -0.03 -1.23 0.00 0.00 177.57 176.21 1a7m h MET 122 N 0.11 0.12 -0.70 5.19 1.85 0.51 -2.36 114.93 119.65 1a7m h MET 122 Ca 0.23 -0.11 0.15 0.00 -0.61 0.00 0.00 59.70 59.36 1a7m h MET 122 Cb 0.78 0.03 -0.11 0.00 0.43 0.00 0.00 31.60 32.73 1a7m h MET 122 CO -0.03 0.82 0.11 0.00 -0.40 0.00 0.00 176.91 177.42 1a7m h ARG 123 N -0.53 0.21 -0.32 0.39 3.08 0.39 0.22 114.38 117.81 1a7m h ARG 123 Ca -0.01 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.09 1a7m h ARG 123 Cb 0.86 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.79 1a7m h ARG 123 CO 0.03 0.14 -0.18 0.78 -1.07 0.00 0.00 179.97 179.67 1a7m h GLY 124 N 0.21 0.05 -0.23 0.04 0.00 -0.72 0.87 103.07 103.28 1a7m h GLY 124 Ca 0.39 0.23 0.08 0.00 0.00 0.00 0.00 47.33 48.03 1a7m h GLY 124 CO -0.52 -0.18 -0.34 1.41 0.00 0.00 0.00 176.54 176.90 1a7m h LEU 125 N -0.14 -1.15 0.07 3.11 3.38 -0.08 0.20 115.31 120.71 1a7m h LEU 125 Ca 0.17 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.36 1a7m h LEU 125 Cb 0.39 0.54 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 1a7m h LEU 125 CO -0.41 -0.32 -0.27 -0.07 0.09 0.00 0.00 178.44 177.46 1a7m h LEU 126 N -0.25 -0.79 -0.84 1.67 4.07 0.06 0.40 115.31 119.63 1a7m h LEU 126 Ca 0.18 0.10 0.21 0.00 0.08 0.00 0.00 57.88 58.45 1a7m h LEU 126 Cb 0.55 0.31 -0.14 0.00 1.08 0.00 0.00 40.66 42.45 1a7m h LEU 126 CO -0.57 -0.35 0.12 -1.28 -1.08 0.00 0.00 178.44 175.28 1a7m h SER 127 N -0.46 -0.19 0.07 -0.43 0.87 0.55 0.54 113.55 114.50 1a7m h SER 127 Ca 0.04 0.20 -0.17 0.00 -1.23 0.00 0.00 61.79 60.64 1a7m h SER 127 Cb 0.51 0.32 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1a7m h SER 127 CO -0.19 -0.18 -0.60 0.78 -0.53 0.00 0.00 176.83 176.11 1a7m h ASN 128 N 0.15 0.61 -0.03 6.23 2.35 0.09 -2.73 115.58 122.24 1a7m h ASN 128 Ca 0.50 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1a7m h ASN 128 Cb 0.96 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.15 1a7m h ASN 128 CO -0.68 1.06 -0.00 0.58 -1.65 0.00 0.00 177.43 176.74 1a7m h VAL 129 N 0.40 1.27 -0.92 2.81 2.07 0.43 0.30 116.25 122.61 1a7m h VAL 129 Ca -0.00 -0.80 0.13 0.00 0.82 0.00 0.00 66.70 66.85 1a7m h VAL 129 Cb 1.15 1.75 -0.07 0.00 -1.52 0.00 0.00 31.29 32.60 1a7m h VAL 129 CO 0.11 0.21 0.59 0.25 0.02 0.00 0.00 177.57 178.75 1a7m h LEU 130 N -0.26 0.74 0.73 2.57 7.12 -0.80 0.42 115.31 125.83 1a7m h LEU 130 Ca 0.01 0.04 -0.04 0.00 0.13 0.00 0.00 57.88 58.02 1a7m h LEU 130 Cb 0.35 -0.11 0.01 0.00 -0.53 0.00 0.00 40.66 40.37 1a7m h LEU 130 CO 0.00 0.39 -0.35 0.00 -0.13 0.00 0.00 178.44 178.35 1a7m n ARG 132 N -4.83 -0.07 0.00 0.00 0.00 0.06 -1.51 116.66 110.31 1a7m n ARG 132 Ca -0.12 1.45 0.00 0.00 -0.00 0.00 0.00 57.85 59.18 1a7m n ARG 132 Cb 0.39 -2.37 0.00 0.00 0.00 0.00 0.00 32.46 30.47 1a7m n ARG 132 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1a7m n LEU 133 N -5.41 0.28 -0.33 6.15 4.77 0.14 -3.88 117.00 118.72 1a7m n LEU 133 Ca 0.27 0.66 0.03 0.00 -0.03 0.00 0.00 56.01 56.94 1a7m n LEU 133 Cb 0.89 -0.41 0.10 0.00 -2.33 0.00 0.00 43.42 41.67 1a7m n LEU 133 CO -0.05 -0.41 0.57 0.00 -1.33 0.00 0.00 177.39 176.17 1a7m n ASN 135 N -5.42 0.15 0.00 0.00 3.02 -0.57 -1.41 115.26 111.04 1a7m n ASN 135 Ca 0.13 0.98 0.00 0.00 -0.03 0.00 0.00 54.58 55.66 1a7m n ASN 135 Cb 0.42 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1a7m n ASN 135 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1a7m n LYS 136 N -4.11 3.20 -3.21 3.52 5.02 0.10 -4.83 118.16 117.86 1a7m n LYS 136 Ca 0.28 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.31 1a7m n LYS 136 Cb 1.10 -0.56 -0.06 0.00 -0.02 0.00 0.00 35.03 35.48 1a7m n LYS 136 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1a7m n TYR 137 N -0.73 3.28 -2.55 2.13 4.01 0.26 -4.92 117.16 118.65 1a7m n TYR 137 Ca 0.00 -4.03 -0.41 0.00 -0.16 0.00 0.00 57.90 53.30 1a7m n TYR 137 Cb 0.00 -0.51 0.01 0.00 -0.31 0.00 0.00 39.34 38.53 1a7m n TYR 137 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1a7m n ARG 138 N 0.45 5.04 -0.09 -0.72 0.63 -0.61 -3.56 116.66 117.81 1a7m n ARG 138 Ca 0.29 -4.35 -0.16 0.00 -0.92 0.00 0.00 57.85 52.71 1a7m n ARG 138 Cb 0.43 -2.53 -0.05 0.00 0.45 0.00 0.00 32.46 30.75 1a7m n ARG 138 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1a7m n VAL 139 N 0.69 1.29 -0.59 5.15 3.14 -1.26 -4.82 118.33 121.93 1a7m n VAL 139 Ca 0.46 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.76 1a7m n VAL 139 Cb 0.27 -1.95 0.00 0.00 -1.06 0.00 0.00 33.84 31.10 1a7m n VAL 139 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1a7m n GLY 140 N 1.78 1.32 2.71 7.55 0.00 -1.26 -4.68 105.19 112.61 1a7m n GLY 140 Ca -0.29 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.06 3.72 -0.08 1.61 -0.00 -1.26 -4.59 115.22 112.56 1a7m n HIS 141 Ca 0.00 -3.57 -0.23 0.00 0.46 0.00 0.00 57.72 54.39 1a7m n HIS 141 Cb 0.13 -0.29 -0.12 0.00 -0.12 0.00 0.00 29.99 29.59 1a7m n HIS 141 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 1a7m n VAL 142 N -0.36 1.61 -1.94 3.57 3.14 -1.26 -5.11 118.33 117.98 1a7m n VAL 142 Ca 0.35 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1a7m n VAL 142 Cb 0.52 -1.84 0.00 0.00 -1.06 0.00 0.00 33.84 31.46 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 -3.96 -9.52 -3.19 6.55 8.00 -1.26 -4.96 116.55 108.22 1a7m n ASP 143 Ca -0.37 1.38 -0.24 0.00 0.71 0.00 0.00 54.79 56.27 1a7m n ASP 143 Cb 0.87 -5.17 -0.05 0.00 -0.02 0.00 0.00 41.12 36.75 1a7m n ASP 143 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1a7m n VAL 144 N 0.83 0.95 -2.55 2.53 0.31 -1.26 -4.82 118.33 114.32 1a7m n VAL 144 Ca 0.00 -4.78 -0.42 0.00 -0.01 0.00 0.00 64.34 59.12 1a7m n VAL 144 Cb 0.00 -1.40 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 1a7m n VAL 144 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1a7m s PRO 145 N -2.31 4.40 -1.10 5.55 0.04 -1.26 -4.94 135.00 135.38 1a7m s PRO 145 Ca 0.41 1.57 -0.08 0.00 0.04 0.00 0.00 61.00 62.94 1a7m s PRO 145 Cb 0.24 -3.52 -0.06 0.00 0.04 0.00 0.00 34.50 31.19 1a7m s PRO 145 CO -0.09 -0.35 2.32 -0.35 0.04 0.00 0.00 177.00 178.58 1a7m n PRO 146 N 4.88 2.49 -4.00 0.56 -0.04 -1.26 -4.59 135.00 133.04 1a7m n PRO 146 Ca 0.10 -1.68 -0.31 0.00 -0.04 0.00 0.00 63.50 61.56 1a7m n PRO 146 Cb 0.47 -2.57 -0.15 0.00 -0.04 0.00 0.00 33.50 31.21 1a7m n PRO 146 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1a7m s VAL 147 N 3.15 2.10 0.10 0.52 0.11 -1.26 -5.01 120.40 120.11 1a7m s VAL 147 Ca 0.48 -2.12 -0.03 0.00 -2.93 0.00 0.00 61.98 57.39 1a7m s VAL 147 Cb 0.12 -2.50 -0.05 0.00 -1.53 0.00 0.00 36.38 32.43 1a7m s VAL 147 CO -0.04 -0.51 0.29 -2.16 -3.33 0.00 0.00 175.10 169.36 1a7m s PRO 148 N 1.02 3.53 -0.46 1.54 0.04 -1.26 -4.76 135.00 134.65 1a7m s PRO 148 Ca 0.08 -0.25 0.02 0.00 0.04 0.00 0.00 61.00 60.89 1a7m s PRO 148 Cb -0.19 -2.95 0.14 0.00 0.04 0.00 0.00 34.50 31.54 1a7m s PRO 148 CO -0.09 0.54 0.27 0.34 0.04 0.00 0.00 177.00 178.10 1a7m s ASP 149 N -2.42 3.56 0.00 6.66 2.15 -1.26 -4.88 116.67 120.48 1a7m s ASP 149 Ca 0.37 -2.75 0.18 0.00 0.43 0.00 0.00 52.55 50.79 1a7m s ASP 149 Cb -0.13 -1.03 0.39 0.00 -0.30 0.00 0.00 42.92 41.86 1a7m s ASP 149 CO 0.26 -0.25 1.31 0.00 -0.17 0.00 0.00 175.17 176.33 1a7m n HIS 150 N 3.37 0.51 -1.39 -5.34 1.44 -1.26 -4.34 115.22 108.22 1a7m n HIS 150 Ca 0.11 -0.33 -0.26 0.00 -2.01 0.00 0.00 57.72 55.23 1a7m n HIS 150 Cb 0.36 -0.01 -0.08 0.00 0.12 0.00 0.00 29.99 30.38 1a7m n HIS 150 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1a7m n SER 151 N 1.16 6.75 -0.03 4.39 7.64 -1.26 -3.69 113.62 128.58 1a7m n SER 151 Ca 0.17 -2.85 -0.00 0.00 1.01 0.00 0.00 58.87 57.20 1a7m n SER 151 Cb 0.52 -1.37 -0.07 0.00 -1.01 0.00 0.00 64.21 62.28 1a7m n SER 151 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1a7m n ASP 152 N 2.02 2.90 -3.98 6.43 2.03 -1.26 -4.94 116.55 119.75 1a7m n ASP 152 Ca 0.55 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.65 1a7m n ASP 152 Cb 0.56 1.03 -0.16 0.00 -0.72 0.00 0.00 41.12 41.84 1a7m n ASP 152 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1a7m s LYS 153 N -2.40 1.01 0.00 -0.67 -0.14 -1.24 -5.08 119.74 111.22 1a7m s LYS 153 Ca -0.04 -0.27 0.00 0.00 -1.36 0.00 0.00 55.97 54.31 1a7m s LYS 153 Cb 0.04 -0.94 0.00 0.00 -1.68 0.00 0.00 37.83 35.25 1a7m s LYS 153 CO 0.36 0.05 0.00 -0.85 -0.76 0.00 0.00 175.35 174.16 1a7m n GLU 154 N 3.54 0.00 -0.35 1.68 -0.00 -1.26 -2.22 120.64 122.02 1a7m n GLU 154 Ca -0.21 0.08 0.24 0.00 -0.00 0.00 0.00 57.16 57.28 1a7m n GLU 154 Cb 0.53 -0.41 0.49 0.00 -0.00 0.00 0.00 31.44 32.06 1a7m n GLU 154 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 1a7m h VAL 155 N 0.00 0.39 0.56 3.84 -1.51 -2.01 0.05 116.25 117.57 1a7m h VAL 155 Ca 0.00 -0.13 -0.03 0.00 -1.23 0.00 0.00 66.70 65.32 1a7m h VAL 155 Cb 0.00 -0.01 0.01 0.00 -2.13 0.00 0.00 31.29 29.16 1a7m h VAL 155 CO 0.00 0.07 -0.27 -0.26 -1.23 0.00 0.00 177.57 175.88 1a7m h PHE 156 N 0.37 -0.70 -0.88 5.19 -1.00 -1.98 -3.21 116.94 114.72 1a7m h PHE 156 Ca 0.69 -0.02 0.23 0.00 2.81 0.00 0.00 57.97 61.68 1a7m h PHE 156 Cb 1.67 0.23 -0.15 0.00 3.61 0.00 0.00 35.95 41.30 1a7m h PHE 156 CO -0.01 -0.43 0.11 0.37 -1.61 0.00 0.00 178.31 176.74 1a7m h GLN 157 N -0.82 0.11 0.00 1.51 -0.00 -0.54 0.31 115.11 115.67 1a7m h GLN 157 Ca -0.08 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 1a7m h GLN 157 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.03 1a7m h GLN 157 CO 0.13 0.07 0.57 0.87 0.00 0.00 0.00 178.83 180.47 1a7m h LYS 158 N 0.11 0.00 0.00 1.69 1.79 -1.34 2.25 116.57 121.07 1a7m h LYS 158 Ca 0.53 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.90 1a7m h LYS 158 Cb 1.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.69 1a7m h LYS 158 CO -0.74 0.00 -1.34 1.63 -1.08 0.00 0.00 179.45 177.92 1a7m n LYS 159 N -2.61 0.14 -0.18 3.15 5.02 0.40 -4.68 118.16 119.41 1a7m n LYS 159 Ca -0.01 0.05 0.04 0.00 -2.02 0.00 0.00 58.31 56.37 1a7m n LYS 159 Cb 0.60 -0.86 0.12 0.00 -0.02 0.00 0.00 35.03 34.87 1a7m n LYS 159 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1a7m n LYS 160 N -3.06 1.78 -0.30 1.97 5.02 0.80 -4.35 118.16 120.02 1a7m n LYS 160 Ca -0.11 -0.99 0.12 0.00 -2.02 0.00 0.00 58.31 55.31 1a7m n LYS 160 Cb 0.59 -1.33 0.27 0.00 -0.02 0.00 0.00 35.03 34.55 1a7m n LYS 160 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1a7m h LEU 161 N 1.52 -0.14 -3.08 -0.35 6.46 0.35 0.58 115.31 120.65 1a7m h LEU 161 Ca 0.00 0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1a7m h LEU 161 Cb 0.50 0.32 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 1a7m h LEU 161 CO 0.04 -0.20 0.00 0.61 -0.62 0.00 0.00 178.44 178.26 1a7m n GLY 162 N -1.40 3.26 0.27 3.75 0.00 -1.26 -4.48 105.19 105.33 1a7m n GLY 162 Ca 0.21 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.42 0.13 0.24 0.00 4.20 -1.07 0.48 115.11 118.67 1a7m h GLN 164 Ca -0.46 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 1a7m h GLN 164 Cb 1.52 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.27 1a7m h GLN 164 CO -0.21 0.09 -0.11 -0.07 -0.67 0.00 0.00 178.83 177.86 1a7m h LEU 165 N 0.14 -0.27 0.39 1.46 -0.00 -1.75 -3.14 115.31 112.14 1a7m h LEU 165 Ca 0.38 -0.25 -0.02 0.00 -0.00 0.00 0.00 57.88 58.00 1a7m h LEU 165 Cb 1.31 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 1a7m h LEU 165 CO -0.06 0.23 -0.19 -0.07 -0.00 0.00 0.00 178.44 178.35 1a7m h LEU 166 N -0.90 -0.45 -1.78 1.67 -0.00 0.10 0.41 115.31 114.36 1a7m h LEU 166 Ca -0.03 0.01 0.27 0.00 -0.00 0.00 0.00 57.88 58.13 1a7m h LEU 166 Cb 0.50 0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.24 1a7m h LEU 166 CO 0.05 -0.32 0.83 1.23 -0.00 0.00 0.00 178.44 180.24 1a7m h GLY 167 N -0.53 0.00 0.05 0.83 0.00 -0.74 0.15 103.07 102.83 1a7m h GLY 167 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.87 1a7m h GLY 167 CO 0.09 0.00 -2.39 2.41 0.00 0.00 0.00 176.54 176.65 1a7m n THR 168 N -3.80 1.53 -0.31 4.70 -1.04 -1.15 -4.24 114.28 109.98 1a7m n THR 168 Ca 0.20 -0.46 0.06 0.00 -2.04 0.00 0.00 64.05 61.81 1a7m n THR 168 Cb 1.14 -1.68 0.16 0.00 -1.82 0.00 0.00 70.33 68.14 1a7m n THR 168 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1a7m h TYR 169 N -0.48 -0.30 -0.94 -1.42 5.03 0.20 1.10 116.97 120.16 1a7m h TYR 169 Ca -0.61 0.07 0.14 0.00 2.58 0.00 0.00 58.73 60.92 1a7m h TYR 169 Cb 1.75 0.27 -0.08 0.00 1.55 0.00 0.00 36.73 40.23 1a7m h TYR 169 CO -0.01 -0.37 0.60 1.57 -1.32 0.00 0.00 178.16 178.63 1a7m h LYS 170 N 0.02 0.78 0.00 1.82 2.10 -0.99 0.26 116.57 120.56 1a7m h LYS 170 Ca 0.46 -0.05 -0.09 0.00 -2.00 0.00 0.00 60.65 58.97 1a7m h LYS 170 Cb 0.79 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 31.93 1a7m h LYS 170 CO -0.87 0.52 -0.44 1.96 -2.00 0.00 0.00 179.45 178.62 1a7m h GLN 171 N 0.80 0.00 0.05 0.07 4.20 0.11 -2.85 115.11 117.50 1a7m h GLN 171 Ca 0.48 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.86 1a7m h GLN 171 Cb 0.65 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 1a7m h GLN 171 CO -0.24 0.44 -1.81 1.33 -0.67 0.00 0.00 178.83 177.88 1a7m n VAL 172 N -3.47 1.64 -0.08 -0.54 0.24 -0.78 -4.13 118.33 111.20 1a7m n VAL 172 Ca 0.00 -0.38 -0.07 0.00 -2.04 0.00 0.00 64.34 61.86 1a7m n VAL 172 Cb 0.58 -1.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.11 1a7m n VAL 172 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1a7m h ILE 173 N -0.45 0.84 0.00 1.34 1.08 -0.62 0.17 117.51 119.87 1a7m h ILE 173 Ca -0.44 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1a7m h ILE 173 Cb 1.70 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 36.12 1a7m h ILE 173 CO -0.09 0.03 0.25 0.77 -0.69 0.00 0.00 178.15 178.42 1a7m h SER 174 N 0.16 0.00 0.00 1.72 4.64 -1.67 0.53 113.55 118.92 1a7m h SER 174 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1a7m h SER 174 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1a7m h SER 174 CO -0.20 0.00 -1.22 0.55 -0.87 0.00 0.00 176.83 175.09 1a7m n VAL 175 N -2.15 0.00 -0.01 0.95 3.14 0.45 -3.78 118.33 116.93 1a7m n VAL 175 Ca -0.01 -0.26 -0.14 0.00 -2.96 0.00 0.00 64.34 60.97 1a7m n VAL 175 Cb 0.28 0.48 -0.14 0.00 -1.06 0.00 0.00 33.84 33.40 1a7m n VAL 175 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1a7m n VAL 176 N -1.71 1.68 0.48 1.55 0.24 0.14 -2.09 118.33 118.63 1a7m n VAL 176 Ca -0.01 -0.73 0.11 0.00 -2.04 0.00 0.00 64.34 61.67 1a7m n VAL 176 Cb 0.27 -1.33 0.45 0.00 -1.47 0.00 0.00 33.84 31.76 1a7m n VAL 176 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1a7m n VAL 177 N -3.23 0.79 -0.58 3.34 3.14 0.13 -0.20 118.33 121.72 1a7m n VAL 177 Ca -0.24 0.15 0.07 0.00 -2.96 0.00 0.00 64.34 61.36 1a7m n VAL 177 Cb 1.05 -1.01 0.18 0.00 -1.06 0.00 0.00 33.84 33.00 1a7m n VAL 177 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a7m n GLN 178 N -2.04 2.77 -0.08 1.45 1.13 -1.22 -4.51 117.38 114.88 1a7m n GLN 178 Ca 0.03 -2.38 -0.11 0.00 -1.94 0.00 0.00 57.00 52.60 1a7m n GLN 178 Cb 0.25 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.01 1a7m n GLN 178 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1a7m n ALA 179 N -0.19 1.63 -0.91 -1.58 0.00 0.72 -4.94 120.51 115.24 1a7m n ALA 179 Ca 0.15 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1a7m n ALA 179 Cb 0.62 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.17 1a7m n ALA 179 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47