#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7m h PRO 2 N 0.00 -0.14 -5.63 4.33 0.13 -2.02 -3.48 132.00 125.19 1a7m h PRO 2 Ca 0.00 0.01 -0.70 0.00 -0.87 0.00 0.00 66.00 64.44 1a7m h PRO 2 Cb 0.00 0.03 0.07 0.00 0.13 0.00 0.00 31.00 31.23 1a7m h PRO 2 CO 0.00 0.34 -0.15 1.28 -0.23 0.00 0.00 178.00 179.25 1a7m n LEU 3 N -4.84 -0.44 -3.90 1.56 4.77 -1.26 -4.70 117.00 108.19 1a7m n LEU 3 Ca -0.07 1.08 -0.38 0.00 -0.03 0.00 0.00 56.01 56.60 1a7m n LEU 3 Cb 0.27 -0.87 -0.07 0.00 -2.33 0.00 0.00 43.42 40.41 1a7m n LEU 3 CO 0.24 -2.17 1.82 -0.81 -1.33 0.00 0.00 177.39 175.14 1a7m n PRO 4 N 1.24 1.25 -0.09 3.23 -0.04 -1.26 -4.53 135.00 134.80 1a7m n PRO 4 Ca 0.18 -1.88 -0.11 0.00 -0.04 0.00 0.00 63.50 61.65 1a7m n PRO 4 Cb 0.13 -3.12 -0.04 0.00 -0.04 0.00 0.00 33.50 30.44 1a7m n PRO 4 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1a7m n ILE 5 N 6.76 1.49 -4.55 0.52 2.08 -1.26 -5.01 119.36 119.39 1a7m n ILE 5 Ca 0.48 0.10 -0.28 0.00 0.56 0.00 0.00 62.75 63.61 1a7m n ILE 5 Cb 0.43 -2.30 -0.14 0.00 -0.75 0.00 0.00 39.64 36.88 1a7m n ILE 5 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1a7m s THR 6 N -2.72 2.02 -0.90 1.39 -4.23 -1.26 -5.04 115.64 104.90 1a7m s THR 6 Ca -0.27 -1.52 -0.23 0.00 -1.18 0.00 0.00 61.69 58.48 1a7m s THR 6 Cb 0.05 -1.77 -0.15 0.00 1.34 0.00 0.00 72.50 71.96 1a7m s THR 6 CO 0.40 0.15 1.91 -0.81 -0.54 0.00 0.00 174.62 175.73 1a7m n PRO 7 N 1.34 1.32 -3.10 3.99 -0.04 -1.26 -4.66 135.00 132.58 1a7m n PRO 7 Ca -0.18 -2.03 -0.18 0.00 -0.04 0.00 0.00 63.50 61.06 1a7m n PRO 7 Cb 0.53 -3.31 -0.03 0.00 -0.04 0.00 0.00 33.50 30.66 1a7m n PRO 7 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1a7m n VAL 8 N 7.09 0.35 0.29 0.52 0.31 -1.26 -4.52 118.33 121.12 1a7m n VAL 8 Ca 0.47 -4.57 0.12 0.00 -0.01 0.00 0.00 64.34 60.34 1a7m n VAL 8 Cb 0.44 -0.32 0.23 0.00 -0.91 0.00 0.00 33.84 33.28 1a7m n VAL 8 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1a7m n ASN 9 N 0.18 3.44 0.00 4.52 5.15 -1.23 -4.83 115.26 122.50 1a7m n ASN 9 Ca 0.24 -1.99 0.00 0.00 -0.60 0.00 0.00 54.58 52.24 1a7m n ASN 9 Cb 0.64 -0.27 0.00 0.00 -0.53 0.00 0.00 39.78 39.63 1a7m n ASN 9 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a7m n ALA 10 N 1.47 1.15 -0.14 5.20 0.00 -1.07 -4.63 120.51 122.49 1a7m n ALA 10 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1a7m n ALA 10 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1a7m n ALA 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1a7m n THR 11 N -0.15 0.00 -0.03 0.00 -1.04 -1.26 -4.88 114.28 106.92 1a7m n THR 11 Ca 0.00 -0.20 0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1a7m n THR 11 Cb 0.00 1.14 0.15 0.00 -1.82 0.00 0.00 70.33 69.80 1a7m n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a7m h ALA 13 N 0.19 1.45 -0.59 0.00 0.00 -1.89 0.51 119.26 118.92 1a7m h ALA 13 Ca 0.18 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1a7m h ALA 13 Cb 1.34 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1a7m h ALA 13 CO -0.00 -0.45 0.00 0.44 0.00 0.00 0.00 179.25 179.24 1a7m n ILE 14 N -5.14 1.86 0.96 0.00 -6.64 -0.60 -3.97 119.36 105.82 1a7m n ILE 14 Ca 0.24 -1.26 0.10 0.00 -1.77 0.00 0.00 62.75 60.05 1a7m n ILE 14 Cb 0.73 0.11 -0.11 0.00 -1.44 0.00 0.00 39.64 38.93 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 0.90 0.33 -0.00 6.28 0.00 0.17 -2.48 116.66 121.86 1a7m n ARG 15 Ca 0.24 -0.05 0.10 0.00 -0.00 0.00 0.00 57.85 58.15 1a7m n ARG 15 Cb 0.87 -1.46 -0.11 0.00 0.00 0.00 0.00 32.46 31.76 1a7m n ARG 15 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1a7m n HIS 16 N -1.41 0.03 -0.03 -0.14 -0.00 -0.92 -4.57 115.22 108.17 1a7m n HIS 16 Ca 0.04 0.01 -0.03 0.00 0.46 0.00 0.00 57.72 58.19 1a7m n HIS 16 Cb 0.32 -0.19 -0.01 0.00 -0.12 0.00 0.00 29.99 29.99 1a7m n HIS 16 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1a7m n PRO 17 N -1.76 0.20 0.00 1.57 -0.04 -1.26 -5.15 135.00 128.56 1a7m n PRO 17 Ca 0.02 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1a7m n PRO 17 Cb 0.41 -0.85 0.00 0.00 -0.04 0.00 0.00 33.50 33.02 1a7m n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a7m n HIS 19 N -0.45 -0.98 0.01 0.00 8.25 -1.26 -5.06 115.22 115.72 1a7m n HIS 19 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1a7m n HIS 19 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 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 5.00 -1.15 0.76 -1.41 0.00 -1.26 -4.69 105.19 102.43 1a7m n GLY 20 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.60 1.09 0.00 1.61 2.85 -1.26 -4.98 115.26 111.97 1a7m n ASN 21 Ca -0.10 0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 1a7m n ASN 21 Cb 0.74 -0.40 0.00 0.00 1.24 0.00 0.00 39.78 41.37 1a7m n ASN 21 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1a7m n LEU 22 N -3.53 0.00 -0.34 1.20 -0.00 -1.26 -4.19 117.00 108.88 1a7m n LEU 22 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.89 1a7m n LEU 22 Cb 0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.48 1a7m n LEU 22 CO 0.05 0.00 0.52 0.24 -0.00 0.00 0.00 177.39 178.20 1a7m h MET 23 N 0.00 -0.08 -0.68 1.96 2.86 -1.95 0.52 114.93 117.55 1a7m h MET 23 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1a7m h MET 23 Cb 0.00 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1a7m h MET 23 CO 0.00 -0.06 0.00 0.09 1.06 0.00 0.00 176.91 178.00 1a7m n ASN 24 N -5.34 2.52 -0.05 1.22 3.02 -1.26 -3.67 115.26 111.70 1a7m n ASN 24 Ca 0.03 -2.27 -0.03 0.00 -0.03 0.00 0.00 54.58 52.28 1a7m n ASN 24 Cb 0.31 -0.47 -0.01 0.00 -0.61 0.00 0.00 39.78 39.00 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 1.63 0.00 -0.19 3.52 -0.00 -0.27 -2.63 115.11 117.17 1a7m h GLN 25 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.71 1a7m h GLN 25 Cb 0.90 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.37 1a7m h GLN 25 CO 0.14 0.00 0.16 -0.84 0.00 0.00 0.00 178.83 178.30 1a7m h ILE 26 N -0.78 0.70 0.19 2.39 3.07 -1.59 0.11 117.51 121.61 1a7m h ILE 26 Ca 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.40 1a7m h ILE 26 Cb 0.35 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 37.78 1a7m h ILE 26 CO 0.00 0.00 -0.09 0.50 -1.05 0.00 0.00 178.15 177.51 1a7m h LYS 27 N 0.00 -0.24 0.00 0.16 3.64 -1.70 0.18 116.57 118.61 1a7m h LYS 27 Ca 0.09 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1a7m h LYS 27 Cb 0.42 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1a7m h LYS 27 CO -0.00 0.16 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.32 1a7m h ASN 28 N -0.87 0.00 0.02 4.20 4.21 -1.03 -2.56 115.58 119.55 1a7m h ASN 28 Ca -0.03 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.48 1a7m h ASN 28 Cb 0.51 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 1a7m h ASN 28 CO 0.04 0.10 -0.01 1.56 -1.29 0.00 0.00 177.43 177.83 1a7m h GLN 29 N 0.00 -0.02 -0.85 0.81 1.08 -0.76 -3.34 115.11 112.03 1a7m h GLN 29 Ca -0.00 0.00 0.25 0.00 -1.45 0.00 0.00 58.65 57.45 1a7m h GLN 29 Cb 0.25 0.01 -0.16 0.00 -0.05 0.00 0.00 27.48 27.53 1a7m h GLN 29 CO 0.01 0.42 0.07 1.28 -0.95 0.00 0.00 178.83 179.66 1a7m n LEU 30 N -4.73 -0.05 -0.12 1.46 7.99 0.61 0.90 117.00 123.06 1a7m n LEU 30 Ca -0.05 1.45 -0.04 0.00 -0.01 0.00 0.00 56.01 57.35 1a7m n LEU 30 Cb 0.22 -0.55 0.02 0.00 -0.11 0.00 0.00 43.42 43.00 1a7m n LEU 30 CO 0.16 -1.48 0.82 0.00 -1.51 0.00 0.00 177.39 175.38 1a7m h ALA 31 N 1.71 0.32 0.00 -1.18 0.00 -1.58 0.93 119.26 119.46 1a7m h ALA 31 Ca 0.54 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1a7m h ALA 31 Cb 1.17 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1a7m h ALA 31 CO -0.79 -0.42 0.22 1.96 0.00 0.00 0.00 179.25 180.22 1a7m h GLN 32 N 0.05 0.00 0.00 0.00 1.08 0.40 -0.43 115.11 116.21 1a7m h GLN 32 Ca 0.20 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.11 1a7m h GLN 32 Cb 0.29 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.67 1a7m h GLN 32 CO -0.37 0.00 -2.07 1.28 -0.95 0.00 0.00 178.83 176.72 1a7m n LEU 33 N -2.73 0.58 0.23 1.46 4.77 0.12 -3.89 117.00 117.56 1a7m n LEU 33 Ca -0.02 -0.02 -0.17 0.00 -0.03 0.00 0.00 56.01 55.77 1a7m n LEU 33 Cb 0.27 0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1a7m n LEU 33 CO 0.13 0.47 0.57 -1.13 -1.33 0.00 0.00 177.39 176.09 1a7m h ASN 34 N 0.00 -1.26 -0.32 -1.43 -0.00 0.23 0.90 115.58 113.70 1a7m h ASN 34 Ca -0.42 0.11 0.05 0.00 -0.00 0.00 0.00 56.30 56.04 1a7m h ASN 34 Cb 1.90 0.43 -0.08 0.00 -0.00 0.00 0.00 38.32 40.57 1a7m h ASN 34 CO 0.00 -0.59 -0.49 1.23 -0.00 0.00 0.00 177.43 177.59 1a7m h GLY 35 N -0.86 -0.81 1.22 1.57 0.00 -1.55 0.21 103.07 102.85 1a7m h GLY 35 Ca -0.03 0.62 0.11 0.00 0.00 0.00 0.00 47.33 48.03 1a7m h GLY 35 CO -0.11 -0.17 0.28 1.48 0.00 0.00 0.00 176.54 178.02 1a7m h SER 36 N -0.42 0.00 -0.99 0.19 4.64 -1.44 0.61 113.55 116.14 1a7m h SER 36 Ca 0.09 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.50 1a7m h SER 36 Cb 0.61 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.63 1a7m h SER 36 CO -0.54 0.00 0.63 0.00 -0.87 0.00 0.00 176.83 176.06 1a7m h ALA 37 N 1.80 1.49 0.00 5.18 0.00 0.41 1.95 119.26 130.08 1a7m h ALA 37 Ca 0.18 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.84 1a7m h ALA 37 Cb 0.74 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1a7m h ALA 37 CO -0.00 0.32 -1.74 -1.71 0.00 0.00 0.00 179.25 176.12 1a7m n ASN 38 N -4.55 0.68 -0.04 0.00 4.05 0.31 -3.63 115.26 112.09 1a7m n ASN 38 Ca 0.17 0.32 -0.02 0.00 0.45 0.00 0.00 54.58 55.49 1a7m n ASN 38 Cb 0.27 0.27 -0.01 0.00 1.23 0.00 0.00 39.78 41.55 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 -2.52 0.23 -0.19 5.20 0.00 0.19 -3.65 120.51 119.77 1a7m n ALA 39 Ca -0.17 -0.29 -0.09 0.00 0.00 0.00 0.00 53.44 52.90 1a7m n ALA 39 Cb 0.98 0.01 -0.04 0.00 0.00 0.00 0.00 19.45 20.40 1a7m n ALA 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1a7m h LEU 40 N -0.50 -1.50 -0.78 0.00 7.12 0.28 0.39 115.31 120.32 1a7m h LEU 40 Ca 0.00 0.24 0.12 0.00 0.13 0.00 0.00 57.88 58.37 1a7m h LEU 40 Cb 0.27 0.67 -0.12 0.00 -0.53 0.00 0.00 40.66 40.95 1a7m h LEU 40 CO 0.00 -0.34 -0.32 0.33 -0.13 0.00 0.00 178.44 177.97 1a7m n PHE 41 N -5.40 -0.02 -0.09 1.25 7.35 -0.36 0.20 117.46 120.39 1a7m n PHE 41 Ca 0.01 0.97 -0.13 0.00 -0.76 0.00 0.00 57.45 57.54 1a7m n PHE 41 Cb 0.35 -0.77 -0.04 0.00 0.35 0.00 0.00 39.48 39.37 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 1.30 0.00 -2.13 5.03 -0.47 0.21 117.51 121.45 1a7m h ILE 42 Ca 0.26 -1.33 0.00 0.00 -0.12 0.00 0.00 64.86 63.67 1a7m h ILE 42 Cb 0.45 1.57 0.00 0.00 -3.03 0.00 0.00 36.82 35.81 1a7m h ILE 42 CO -0.77 0.42 0.00 -0.24 -0.68 0.00 0.00 178.15 176.88 1a7m n SER 43 N -4.37 0.40 -0.01 1.72 2.88 0.15 -2.30 113.62 112.09 1a7m n SER 43 Ca -0.04 0.61 -0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1a7m n SER 43 Cb 0.41 -0.69 -0.00 0.00 -0.75 0.00 0.00 64.21 63.18 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 -1.95 0.06 0.32 0.66 9.36 0.52 -4.42 117.16 121.71 1a7m n TYR 44 Ca 0.02 0.03 0.19 0.00 3.32 0.00 0.00 57.90 61.46 1a7m n TYR 44 Cb 0.18 -0.24 1.03 0.00 -0.63 0.00 0.00 39.34 39.68 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 -0.08 0.00 -0.26 2.98 -0.00 -0.64 0.34 116.97 119.32 1a7m h TYR 45 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.73 58.59 1a7m h TYR 45 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.77 1a7m h TYR 45 CO -0.02 0.00 -0.43 1.79 -0.00 0.00 0.00 178.16 179.50 1a7m h THR 46 N 0.00 1.30 0.00 -0.90 1.35 -1.66 -2.09 112.91 110.90 1a7m h THR 46 Ca 0.01 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 1a7m h THR 46 Cb 0.28 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1a7m h THR 46 CO -0.00 0.51 0.00 0.00 -0.25 0.00 0.00 175.52 175.78 1a7m h ALA 47 N 1.00 1.00 0.60 6.62 0.00 -1.13 -2.68 119.26 124.67 1a7m h ALA 47 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1a7m h ALA 47 Cb 0.96 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1a7m h ALA 47 CO 0.09 0.00 -0.29 1.96 0.00 0.00 0.00 179.25 181.01 1a7m h GLN 48 N 0.00 -0.77 0.00 0.00 1.08 -1.43 -3.45 115.11 110.54 1a7m h GLN 48 Ca 0.00 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1a7m h GLN 48 Cb 0.10 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1a7m h GLN 48 CO 0.00 -0.47 0.00 0.41 -0.95 0.00 0.00 178.83 177.82 1a7m n GLY 49 N -1.08 0.62 3.74 3.46 0.00 -1.01 -5.07 105.19 105.85 1a7m n GLY 49 Ca -0.12 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.63 2.49 -1.24 1.61 4.04 -1.26 -3.27 118.70 119.44 1a7m s GLU 50 Ca 0.00 -1.40 -0.07 0.00 0.04 0.00 0.00 54.97 53.54 1a7m s GLU 50 Cb 0.00 -2.27 0.01 0.00 0.02 0.00 0.00 34.13 31.89 1a7m s GLU 50 CO 0.00 0.22 2.72 -0.35 -1.84 0.00 0.00 175.26 176.01 1a7m n PRO 51 N -1.12 3.88 -0.03 -4.83 -0.04 -1.26 -5.04 135.00 126.57 1a7m n PRO 51 Ca -0.04 -2.73 -0.02 0.00 -0.04 0.00 0.00 63.50 60.67 1a7m n PRO 51 Cb 0.60 -2.59 -0.01 0.00 -0.04 0.00 0.00 33.50 31.46 1a7m n PRO 51 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1a7m h PHE 52 N 4.45 0.00 0.00 0.54 -1.00 -1.87 -2.91 116.94 116.15 1a7m h PHE 52 Ca 0.70 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.48 1a7m h PHE 52 Cb 0.43 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.99 1a7m h PHE 52 CO 1.71 0.00 0.04 -0.35 -1.61 0.00 0.00 178.31 178.09 1a7m n PRO 53 N -3.27 0.00 0.00 1.51 -0.04 -1.26 0.47 135.00 132.41 1a7m n PRO 53 Ca -0.03 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1a7m n PRO 53 Cb 0.10 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 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 -0.86 3.49 -1.00 3.54 0.23 -1.26 -4.75 115.26 114.65 1a7m n ASN 54 Ca 0.00 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.13 1a7m n ASN 54 Cb 0.04 0.09 0.27 0.00 -2.08 0.00 0.00 39.78 38.10 1a7m n ASN 54 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1a7m n ASN 55 N -2.21 4.04 0.02 0.53 3.02 -0.38 -4.50 115.26 115.78 1a7m n ASN 55 Ca 0.00 -3.03 0.22 0.00 -0.03 0.00 0.00 54.58 51.74 1a7m n ASN 55 Cb 0.42 -0.56 0.73 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 1.99 0.00 -1.67 3.41 8.10 -0.17 0.52 115.31 127.50 1a7m h LEU 56 Ca 0.01 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.00 1a7m h LEU 56 Cb 1.51 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.71 1a7m h LEU 56 CO 0.26 0.00 0.22 0.44 -4.11 0.00 0.00 178.44 175.25 1a7m h ASP 57 N 0.00 0.38 0.00 0.17 3.32 -1.83 1.12 116.42 119.58 1a7m h ASP 57 Ca 0.25 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1a7m h ASP 57 Cb 1.18 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1a7m h ASP 57 CO -0.00 0.27 -1.38 0.29 -1.72 0.00 0.00 179.24 176.70 1a7m n LYS 58 N -4.49 0.93 -0.00 3.56 4.76 0.14 -4.25 118.16 118.81 1a7m n LYS 58 Ca 0.02 -0.09 0.07 0.00 -2.87 0.00 0.00 58.31 55.44 1a7m n LYS 58 Cb 0.07 -1.27 -0.10 0.00 -1.84 0.00 0.00 35.03 31.89 1a7m n LYS 58 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1a7m n LEU 59 N -1.82 0.21 -0.18 -0.35 4.77 0.99 -4.54 117.00 116.08 1a7m n LEU 59 Ca -0.01 -0.16 0.09 0.00 -0.03 0.00 0.00 56.01 55.90 1a7m n LEU 59 Cb 0.32 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.55 1a7m n LEU 59 CO 0.28 0.05 0.52 0.00 -1.33 0.00 0.00 177.39 176.91 1a7m n GLY 61 N -1.32 -0.00 2.04 0.00 0.00 -1.19 -2.56 105.19 102.17 1a7m n GLY 61 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.94 1.15 0.00 1.61 -0.04 -1.26 -1.82 135.00 133.70 1a7m n PRO 62 Ca -0.00 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 1a7m n PRO 62 Cb 0.00 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 1a7m n PRO 62 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1a7m n ASN 63 N 2.41 0.00 0.00 3.54 5.15 -1.26 -4.79 115.26 120.31 1a7m n ASN 63 Ca 0.21 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.19 1a7m n ASN 63 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 1a7m n ASN 63 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1a7m n VAL 64 N 0.00 0.00 -1.29 3.44 0.31 -1.26 -4.66 118.33 114.87 1a7m n VAL 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1a7m n VAL 64 Cb 0.00 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 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 -0.47 0.00 -1.24 2.52 5.66 -1.26 -2.67 114.28 116.82 1a7m n THR 65 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1a7m n THR 65 Cb 0.03 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 68.90 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 -3.49 6.94 -4.94 1.09 5.75 -1.26 -4.98 116.55 115.65 1a7m n ASP 66 Ca 0.00 -3.66 -0.20 0.00 -0.01 0.00 0.00 54.79 50.92 1a7m n ASP 66 Cb 0.00 -0.96 -0.02 0.00 -1.03 0.00 0.00 41.12 39.11 1a7m n ASP 66 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1a7m s PHE 67 N -3.47 3.21 -0.26 2.11 -0.71 -1.09 -4.81 117.98 112.96 1a7m s PHE 67 Ca 0.59 -0.14 -0.28 0.00 -1.04 0.00 0.00 56.93 56.06 1a7m s PHE 67 Cb 0.47 -1.72 -0.03 0.00 -1.21 0.00 0.00 43.02 40.53 1a7m s PHE 67 CO 0.01 0.27 1.87 -1.25 -1.34 0.00 0.00 175.22 174.77 1a7m s PRO 68 N -4.03 3.42 -0.15 1.99 0.04 -1.26 -4.88 135.00 130.13 1a7m s PRO 68 Ca 0.38 1.67 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 1a7m s PRO 68 Cb -0.09 -4.21 -0.19 0.00 0.04 0.00 0.00 34.50 30.06 1a7m s PRO 68 CO 0.29 -1.76 1.44 -0.35 0.04 0.00 0.00 177.00 176.66 1a7m n PRO 69 N 8.32 0.32 -1.48 0.56 -0.04 -1.26 -4.89 135.00 136.52 1a7m n PRO 69 Ca 0.24 -0.93 -0.61 0.00 -0.04 0.00 0.00 63.50 62.16 1a7m n PRO 69 Cb 0.46 -2.35 -0.10 0.00 -0.04 0.00 0.00 33.50 31.47 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 6.94 1.47 -3.50 0.54 -0.00 -1.26 -4.90 117.46 116.75 1a7m n PHE 70 Ca 0.29 0.96 -0.29 0.00 -0.00 0.00 0.00 57.45 58.42 1a7m n PHE 70 Cb 0.24 -2.08 -0.13 0.00 -0.00 0.00 0.00 39.48 37.50 1a7m n PHE 70 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1a7m s HIS 71 N 3.60 0.49 -0.62 -5.13 2.46 -1.26 -5.05 115.29 109.77 1a7m s HIS 71 Ca 1.01 -1.23 -0.11 0.00 0.47 0.00 0.00 55.06 55.21 1a7m s HIS 71 Cb -1.39 -0.89 -0.17 0.00 -0.13 0.00 0.00 32.58 30.00 1a7m s HIS 71 CO 0.72 -0.83 1.77 0.00 -2.47 0.00 0.00 174.74 173.92 1a7m n ALA 72 N 4.65 0.63 -1.13 1.58 0.00 -1.26 -4.66 120.51 120.32 1a7m n ALA 72 Ca 0.03 -1.21 -0.25 0.00 0.00 0.00 0.00 53.44 52.01 1a7m n ALA 72 Cb 0.40 -2.00 0.14 0.00 0.00 0.00 0.00 19.45 17.98 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 9.58 4.81 -1.53 0.00 3.02 -1.26 -4.81 115.26 125.07 1a7m n ASN 73 Ca 0.36 -3.55 -0.08 0.00 -0.03 0.00 0.00 54.58 51.28 1a7m n ASN 73 Cb 0.37 -0.87 0.03 0.00 -0.61 0.00 0.00 39.78 38.70 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 -0.95 0.45 2.69 7.41 0.00 -1.26 -5.04 105.19 108.48 1a7m n GLY 74 Ca 0.57 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 1a7m n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a7m s THR 75 N -3.11 -0.25 0.22 2.61 2.01 -1.26 -5.01 115.64 110.86 1a7m s THR 75 Ca 0.18 -0.29 -0.14 0.00 0.31 0.00 0.00 61.69 61.75 1a7m s THR 75 Cb -0.08 -0.75 0.26 0.00 0.01 0.00 0.00 72.50 71.94 1a7m s THR 75 CO 0.24 -0.35 1.61 -0.33 -0.69 0.00 0.00 174.62 175.10 1a7m h GLU 76 N 8.34 -0.02 -0.93 4.92 3.07 -1.96 1.41 114.58 129.41 1a7m h GLU 76 Ca -0.16 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 58.83 1a7m h GLU 76 Cb 1.12 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.96 1a7m h GLU 76 CO 0.32 -0.02 0.60 1.57 -1.40 0.00 0.00 179.01 180.08 1a7m h LYS 77 N -0.02 0.78 -0.14 2.33 5.09 -1.95 0.35 116.57 123.00 1a7m h LYS 77 Ca 0.33 -0.05 -0.06 0.00 0.09 0.00 0.00 60.65 60.97 1a7m h LYS 77 Cb 0.53 -0.18 -0.00 0.00 0.10 0.00 0.00 32.23 32.68 1a7m h LYS 77 CO -0.73 0.51 -0.13 0.00 -2.09 0.00 0.00 179.45 177.01 1a7m h ALA 78 N 1.58 0.20 -0.15 0.07 0.00 0.13 0.23 119.26 121.33 1a7m h ALA 78 Ca 0.47 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1a7m h ALA 78 Cb 0.65 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1a7m h ALA 78 CO -0.23 0.07 -0.20 0.87 0.00 0.00 0.00 179.25 179.76 1a7m h LYS 79 N -0.04 -0.23 -0.13 0.00 1.79 0.77 0.46 116.57 119.19 1a7m h LYS 79 Ca 0.02 0.02 -0.15 0.00 -2.18 0.00 0.00 60.65 58.35 1a7m h LYS 79 Cb 0.65 0.05 0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1a7m h LYS 79 CO 0.03 -0.16 -0.52 -0.07 -1.08 0.00 0.00 179.45 177.66 1a7m h LEU 80 N -0.24 0.69 0.11 2.94 3.38 -0.40 -2.62 115.31 119.17 1a7m h LEU 80 Ca 0.10 -0.62 -0.21 0.00 0.09 0.00 0.00 57.88 57.24 1a7m h LEU 80 Cb 0.40 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 40.97 1a7m h LEU 80 CO -0.29 1.19 -0.89 0.58 0.09 0.00 0.00 178.44 179.12 1a7m h VAL 81 N 0.23 1.43 -0.76 1.22 2.07 -0.43 0.90 116.25 120.91 1a7m h VAL 81 Ca -0.03 -2.41 0.03 0.00 0.82 0.00 0.00 66.70 65.11 1a7m h VAL 81 Cb 1.15 2.94 -0.04 0.00 -1.52 0.00 0.00 31.29 33.82 1a7m h VAL 81 CO 0.11 0.70 0.50 -0.33 0.02 0.00 0.00 177.57 178.57 1a7m h GLU 82 N -0.14 0.91 0.03 1.57 5.08 -0.20 0.58 114.58 122.40 1a7m h GLU 82 Ca -0.14 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1a7m h GLU 82 Cb 1.65 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1a7m h GLU 82 CO 0.17 0.60 -0.01 1.25 -1.00 0.00 0.00 179.01 180.02 1a7m h LEU 83 N 0.94 -0.03 0.00 1.33 5.85 -1.37 -0.82 115.31 121.20 1a7m h LEU 83 Ca 0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1a7m h LEU 83 Cb 0.03 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1a7m h LEU 83 CO -0.08 -0.02 0.00 0.00 -0.34 0.00 0.00 178.44 177.99 1a7m n TYR 84 N -2.11 0.00 -0.24 1.25 9.36 0.30 0.83 117.16 126.55 1a7m n TYR 84 Ca -0.00 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.17 1a7m n TYR 84 Cb 0.01 -0.22 0.07 0.00 -0.63 0.00 0.00 39.34 38.58 1a7m n TYR 84 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1a7m h ARG 85 N 0.00 0.85 -0.07 2.98 0.11 -1.01 0.75 114.38 117.99 1a7m h ARG 85 Ca 0.00 -0.05 0.04 0.00 0.10 0.00 0.00 59.98 60.07 1a7m h ARG 85 Cb 0.00 -0.19 -0.06 0.00 1.11 0.00 0.00 29.97 30.83 1a7m h ARG 85 CO 0.00 0.56 -0.39 1.98 0.10 0.00 0.00 179.97 182.22 1a7m h MET 86 N 0.87 -0.49 -0.75 0.08 4.05 0.20 0.57 114.93 119.46 1a7m h MET 86 Ca 0.27 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.74 1a7m h MET 86 Cb -0.03 0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.84 1a7m h MET 86 CO -0.09 -0.32 0.49 0.28 0.23 0.00 0.00 176.91 177.50 1a7m h VAL 87 N -0.51 1.16 0.17 -5.77 2.07 0.20 0.42 116.25 114.00 1a7m h VAL 87 Ca 0.07 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1a7m h VAL 87 Cb 0.62 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1a7m h VAL 87 CO -0.34 0.18 -0.08 0.00 0.02 0.00 0.00 177.57 177.34 1a7m h ALA 88 N 1.55 -0.23 -0.03 1.67 0.00 0.23 1.04 119.26 123.48 1a7m h ALA 88 Ca 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1a7m h ALA 88 Cb -0.05 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1a7m h ALA 88 CO -0.07 -0.57 -0.06 0.10 0.00 0.00 0.00 179.25 178.65 1a7m h TYR 89 N -0.35 0.11 -0.02 0.00 -0.00 -0.63 -2.29 116.97 113.80 1a7m h TYR 89 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 58.73 58.67 1a7m h TYR 89 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 36.73 36.97 1a7m h TYR 89 CO -0.03 0.64 -0.06 1.25 -0.00 0.00 0.00 178.16 179.95 1a7m h LEU 90 N -0.44 -0.19 -0.69 0.10 7.12 -0.11 0.48 115.31 121.58 1a7m h LEU 90 Ca 0.00 0.02 0.11 0.00 0.13 0.00 0.00 57.88 58.15 1a7m h LEU 90 Cb 0.63 0.08 -0.12 0.00 -0.53 0.00 0.00 40.66 40.71 1a7m h LEU 90 CO 0.01 -0.05 -0.37 -1.28 -0.13 0.00 0.00 178.44 176.62 1a7m h SER 91 N -0.06 -1.32 -1.00 1.25 0.87 0.10 0.75 113.55 114.15 1a7m h SER 91 Ca 0.00 0.25 0.11 0.00 -1.23 0.00 0.00 61.79 60.93 1a7m h SER 91 Cb 0.07 0.65 -0.08 0.00 -0.44 0.00 0.00 62.40 62.60 1a7m h SER 91 CO -0.05 -0.31 0.63 0.00 -0.53 0.00 0.00 176.83 176.58 1a7m h ALA 92 N 0.99 1.52 -0.11 6.23 0.00 -0.78 0.35 119.26 127.46 1a7m h ALA 92 Ca 0.24 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 1a7m h ALA 92 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1a7m h ALA 92 CO -0.76 0.24 -0.53 0.77 0.00 0.00 0.00 179.25 178.98 1a7m h SER 93 N 1.00 0.35 -0.16 0.00 0.02 0.38 -0.88 113.55 114.26 1a7m h SER 93 Ca 0.49 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1a7m h SER 93 Cb 0.46 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1a7m h SER 93 CO -0.25 0.81 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.16 1a7m h LEU 94 N 0.25 0.31 -0.28 5.07 3.38 0.30 -1.78 115.31 122.56 1a7m h LEU 94 Ca 0.01 -0.34 0.06 0.00 0.09 0.00 0.00 57.88 57.70 1a7m h LEU 94 Cb 1.01 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 1a7m h LEU 94 CO 0.09 0.58 -0.16 0.74 0.09 0.00 0.00 178.44 179.78 1a7m h THR 95 N 0.03 0.54 -0.58 0.22 2.02 -0.09 0.55 112.91 115.58 1a7m h THR 95 Ca 0.04 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.34 1a7m h THR 95 Cb 0.44 0.54 -0.11 0.00 -1.74 0.00 0.00 68.15 67.27 1a7m h THR 95 CO 0.01 0.00 -0.15 -1.13 0.37 0.00 0.00 175.52 174.62 1a7m h ASN 96 N -0.13 -0.56 0.55 4.18 -0.73 -0.91 -0.51 115.58 117.47 1a7m h ASN 96 Ca 0.15 0.18 -0.23 0.00 1.87 0.00 0.00 56.30 58.26 1a7m h ASN 96 Cb 0.35 0.37 -0.00 0.00 0.27 0.00 0.00 38.32 39.30 1a7m h ASN 96 CO -0.35 -0.20 -1.02 -0.29 -0.37 0.00 0.00 177.43 175.20 1a7m h ILE 97 N -0.01 1.48 -0.57 2.57 6.09 -0.79 -2.80 117.51 123.49 1a7m h ILE 97 Ca 0.28 -2.76 0.12 0.00 -1.37 0.00 0.00 64.86 61.12 1a7m h ILE 97 Cb 0.43 2.63 -0.10 0.00 0.47 0.00 0.00 36.82 40.25 1a7m h ILE 97 CO -0.60 0.81 -0.06 0.74 -3.07 0.00 0.00 178.15 175.96 1a7m h THR 98 N 0.13 0.49 0.42 2.19 2.02 0.16 0.30 112.91 118.62 1a7m h THR 98 Ca -0.08 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1a7m h THR 98 Cb 1.69 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1a7m h THR 98 CO 0.17 0.01 -0.20 0.03 0.37 0.00 0.00 175.52 175.89 1a7m h ARG 99 N 0.06 -0.54 -0.41 6.66 3.08 -1.23 0.02 114.38 122.01 1a7m h ARG 99 Ca 0.29 0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.42 1a7m h ARG 99 Cb 0.45 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.55 1a7m h ARG 99 CO -0.53 -0.23 -0.47 0.22 -1.07 0.00 0.00 179.97 177.88 1a7m h ASP 100 N -0.93 -1.61 -0.29 7.04 1.82 -1.12 -0.61 116.42 120.72 1a7m h ASP 100 Ca -0.06 0.22 0.03 0.00 -0.39 0.00 0.00 57.03 56.83 1a7m h ASP 100 Cb 0.56 0.67 -0.03 0.00 0.68 0.00 0.00 39.33 41.20 1a7m h ASP 100 CO 0.09 -0.32 0.09 1.56 -1.61 0.00 0.00 179.24 179.06 1a7m h GLN 101 N -0.29 0.21 -0.69 0.28 1.08 -0.49 1.35 115.11 116.56 1a7m h GLN 101 Ca 0.07 -0.01 0.20 0.00 -1.45 0.00 0.00 58.65 57.46 1a7m h GLN 101 Cb 0.48 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 1a7m h GLN 101 CO -0.54 0.14 0.59 -0.22 -0.95 0.00 0.00 178.83 177.85 1a7m h LYS 102 N 0.22 0.00 0.00 1.46 3.64 -0.07 0.17 116.57 121.99 1a7m h LYS 102 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1a7m h LYS 102 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1a7m h LYS 102 CO -0.14 0.00 -1.11 0.28 -2.27 0.00 0.00 179.45 176.21 1a7m n VAL 103 N -3.98 0.00 -0.00 2.00 0.31 0.02 -4.58 118.33 112.10 1a7m n VAL 103 Ca 0.14 -0.22 -0.22 0.00 -0.01 0.00 0.00 64.34 64.04 1a7m n VAL 103 Cb 0.84 0.68 -0.14 0.00 -0.91 0.00 0.00 33.84 34.32 1a7m n VAL 103 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1a7m n LEU 104 N -1.62 2.56 -3.95 7.52 -0.00 0.44 -5.01 117.00 116.95 1a7m n LEU 104 Ca 0.01 0.24 -0.10 0.00 -0.00 0.00 0.00 56.01 56.16 1a7m n LEU 104 Cb 0.31 -1.11 -0.11 0.00 -0.00 0.00 0.00 43.42 42.51 1a7m n LEU 104 CO 0.33 0.80 -0.31 0.20 -0.00 0.00 0.00 177.39 178.40 1a7m s ASN 105 N -7.04 0.17 0.55 1.96 0.02 0.07 -5.03 114.94 105.64 1a7m s ASN 105 Ca -0.23 -0.39 0.34 0.00 -1.02 0.00 0.00 52.86 51.56 1a7m s ASN 105 Cb 0.06 0.12 1.36 0.00 0.02 0.00 0.00 41.25 42.82 1a7m s ASN 105 CO 0.76 -0.29 1.98 1.55 0.02 0.00 0.00 177.10 181.12 1a7m h PRO 106 N 4.68 0.00 0.00 -0.60 0.13 -1.91 -1.67 132.00 132.63 1a7m h PRO 106 Ca -0.31 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.48 1a7m h PRO 106 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1a7m h PRO 106 CO 0.41 0.00 -2.34 0.43 -0.23 0.00 0.00 178.00 176.28 1a7m n SER 107 N -3.09 0.02 -0.22 1.44 7.64 -1.26 -4.19 113.62 113.95 1a7m n SER 107 Ca 0.01 0.01 0.02 0.00 1.01 0.00 0.00 58.87 59.91 1a7m n SER 107 Cb 0.31 1.07 0.13 0.00 -1.01 0.00 0.00 64.21 64.71 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 1.09 0.86 -0.92 -0.43 0.00 -1.59 0.49 119.26 118.77 1a7m h ALA 108 Ca -0.49 0.11 0.34 0.00 0.00 0.00 0.00 54.91 54.86 1a7m h ALA 108 Cb 2.13 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 19.90 1a7m h ALA 108 CO 0.03 -0.22 0.56 1.55 0.00 0.00 0.00 179.25 181.17 1a7m n VAL 109 N -5.03 -0.23 -0.07 0.00 3.14 -1.04 0.10 118.33 115.20 1a7m n VAL 109 Ca 0.11 1.41 -0.10 0.00 -2.96 0.00 0.00 64.34 62.79 1a7m n VAL 109 Cb 0.33 -2.30 -0.09 0.00 -1.06 0.00 0.00 33.84 30.73 1a7m n VAL 109 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1a7m h SER 110 N 0.00 0.00 -0.91 6.55 4.64 -1.17 -2.79 113.55 119.86 1a7m h SER 110 Ca 0.65 -0.67 0.26 0.00 -0.47 0.00 0.00 61.79 61.56 1a7m h SER 110 Cb 1.95 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.87 1a7m h SER 110 CO -0.43 0.87 0.04 0.00 -0.87 0.00 0.00 176.83 176.44 1a7m n LEU 111 N -4.65 -0.08 -0.04 5.97 -0.00 0.28 -0.71 117.00 117.76 1a7m n LEU 111 Ca -0.08 1.55 -0.14 0.00 -0.00 0.00 0.00 56.01 57.34 1a7m n LEU 111 Cb 0.34 -0.57 -0.11 0.00 -0.00 0.00 0.00 43.42 43.08 1a7m n LEU 111 CO 0.23 -1.57 0.50 1.12 -0.00 0.00 0.00 177.39 177.66 1a7m h HIS 112 N 0.00 0.08 -0.83 1.47 2.07 -1.01 -2.44 115.15 114.49 1a7m h HIS 112 Ca 0.56 -0.04 0.21 0.00 -2.85 0.00 0.00 60.37 58.25 1a7m h HIS 112 Cb 1.19 -0.01 -0.13 0.00 2.57 0.00 0.00 27.41 31.03 1a7m h HIS 112 CO -0.44 0.77 0.19 0.77 -3.07 0.00 0.00 177.93 176.16 1a7m h SER 113 N -0.63 -0.04 -0.62 3.10 0.02 -0.63 1.32 113.55 116.07 1a7m h SER 113 Ca -0.01 0.18 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1a7m h SER 113 Cb 0.79 0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.55 1a7m h SER 113 CO 0.01 -0.13 0.39 0.50 -1.14 0.00 0.00 176.83 176.47 1a7m h LYS 114 N 0.22 0.75 -0.30 3.45 3.64 -1.45 -1.02 116.57 121.87 1a7m h LYS 114 Ca 0.50 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.78 1a7m h LYS 114 Cb 0.96 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1a7m h LYS 114 CO -0.62 0.50 -0.05 1.25 -2.27 0.00 0.00 179.45 178.25 1a7m h LEU 115 N 0.77 0.45 -0.78 5.20 5.85 0.18 -2.53 115.31 124.45 1a7m h LEU 115 Ca 0.25 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.93 1a7m h LEU 115 Cb -0.00 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 1a7m h LEU 115 CO -0.09 0.56 0.46 0.78 -0.34 0.00 0.00 178.44 179.81 1a7m h ASN 116 N 0.45 0.72 0.68 1.25 4.21 0.21 0.00 115.58 123.11 1a7m h ASN 116 Ca 0.09 0.02 -0.03 0.00 1.21 0.00 0.00 56.30 57.59 1a7m h ASN 116 Cb 0.38 -0.13 0.01 0.00 -1.12 0.00 0.00 38.32 37.46 1a7m h ASN 116 CO 0.02 0.46 -0.33 0.00 -1.29 0.00 0.00 177.43 176.29 1a7m h ALA 117 N 1.38 -1.19 -1.20 -0.83 0.00 -1.13 0.20 119.26 116.49 1a7m h ALA 117 Ca 0.34 -0.20 0.42 0.00 0.00 0.00 0.00 54.91 55.47 1a7m h ALA 117 Cb 0.17 0.35 -0.15 0.00 0.00 0.00 0.00 17.79 18.17 1a7m h ALA 117 CO -0.17 -1.12 0.74 1.79 0.00 0.00 0.00 179.25 180.48 1a7m h THR 118 N -0.96 0.11 0.16 0.00 1.35 -1.24 0.32 112.91 112.64 1a7m h THR 118 Ca -0.09 -0.03 -0.01 0.00 -0.55 0.00 0.00 66.41 65.73 1a7m h THR 118 Cb 0.70 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 1a7m h THR 118 CO 0.15 0.02 -0.08 0.40 -0.25 0.00 0.00 175.52 175.76 1a7m h ILE 119 N 0.09 0.00 -0.87 6.82 2.04 -0.54 -2.10 117.51 122.95 1a7m h ILE 119 Ca 0.82 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 66.57 1a7m h ILE 119 Cb 2.39 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 38.36 1a7m h ILE 119 CO -0.54 0.00 -0.56 -0.78 0.00 0.00 0.00 178.15 176.27 1a7m h ASP 120 N -0.41 -2.04 -0.89 1.72 3.58 0.15 0.53 116.42 119.06 1a7m h ASP 120 Ca -0.02 0.30 0.10 0.00 0.42 0.00 0.00 57.03 57.83 1a7m h ASP 120 Cb 0.17 0.89 -0.06 0.00 1.72 0.00 0.00 39.33 42.05 1a7m h ASP 120 CO 0.04 -0.25 0.58 -0.37 -2.88 0.00 0.00 179.24 176.36 1a7m h VAL 121 N -0.06 0.97 -0.40 2.25 -1.51 -0.62 -1.01 116.25 115.87 1a7m h VAL 121 Ca 0.14 -0.31 -0.14 0.00 -1.23 0.00 0.00 66.70 65.16 1a7m h VAL 121 Cb 0.42 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.58 1a7m h VAL 121 CO -0.85 0.16 -0.32 0.24 -1.23 0.00 0.00 177.57 175.58 1a7m h MET 122 N 0.89 0.91 -0.08 5.19 2.86 0.61 -1.43 114.93 123.88 1a7m h MET 122 Ca 0.41 -0.45 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1a7m h MET 122 Cb 0.40 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 1a7m h MET 122 CO -0.18 1.11 -0.15 0.00 1.06 0.00 0.00 176.91 178.75 1a7m h ARG 123 N 0.73 -0.20 -0.73 1.72 3.08 0.75 0.24 114.38 119.97 1a7m h ARG 123 Ca 0.07 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.24 1a7m h ARG 123 Cb 0.90 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.92 1a7m h ARG 123 CO 0.08 -0.13 0.35 0.78 -1.07 0.00 0.00 179.97 179.98 1a7m h GLY 124 N -0.20 1.10 0.30 0.04 0.00 -1.24 -1.36 103.07 101.71 1a7m h GLY 124 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1a7m h GLY 124 CO -0.20 0.02 -0.52 1.41 0.00 0.00 0.00 176.54 177.25 1a7m h LEU 125 N 0.57 -1.50 -0.74 3.11 4.07 0.10 0.13 115.31 121.06 1a7m h LEU 125 Ca 0.37 0.14 0.11 0.00 0.08 0.00 0.00 57.88 58.59 1a7m h LEU 125 Cb 0.44 0.53 -0.13 0.00 1.08 0.00 0.00 40.66 42.58 1a7m h LEU 125 CO -0.30 -0.61 -0.40 -0.07 -1.08 0.00 0.00 178.44 175.98 1a7m h LEU 126 N -0.86 -1.42 -0.46 1.67 4.07 0.40 0.55 115.31 119.26 1a7m h LEU 126 Ca -0.03 0.27 0.09 0.00 0.08 0.00 0.00 57.88 58.29 1a7m h LEU 126 Cb 0.81 0.69 -0.08 0.00 1.08 0.00 0.00 40.66 43.16 1a7m h LEU 126 CO -0.19 -0.30 0.00 0.28 -1.08 0.00 0.00 178.44 177.14 1a7m h SER 127 N -0.12 -0.20 -0.88 -0.43 0.02 -0.48 0.40 113.55 111.86 1a7m h SER 127 Ca 0.25 0.11 0.15 0.00 -0.84 0.00 0.00 61.79 61.46 1a7m h SER 127 Cb 0.56 0.19 -0.09 0.00 0.14 0.00 0.00 62.40 63.20 1a7m h SER 127 CO -0.80 -0.06 0.47 0.78 -1.14 0.00 0.00 176.83 176.08 1a7m h ASN 128 N 0.11 0.59 0.57 3.07 2.35 0.26 0.23 115.58 122.76 1a7m h ASN 128 Ca 0.23 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 56.04 1a7m h ASN 128 Cb 0.34 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.71 1a7m h ASN 128 CO -0.39 0.25 -0.27 0.58 -1.65 0.00 0.00 177.43 175.95 1a7m h VAL 129 N 0.67 0.42 -0.95 2.81 2.07 0.34 -1.88 116.25 119.72 1a7m h VAL 129 Ca 0.48 -0.15 0.25 0.00 0.82 0.00 0.00 66.70 68.10 1a7m h VAL 129 Cb 0.67 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 1a7m h VAL 129 CO -0.36 0.02 0.66 -0.07 0.02 0.00 0.00 177.57 177.84 1a7m h LEU 130 N -0.86 0.20 -0.04 2.57 -0.00 0.13 0.27 115.31 117.58 1a7m h LEU 130 Ca -0.08 0.03 -0.25 0.00 -0.00 0.00 0.00 57.88 57.58 1a7m h LEU 130 Cb 0.62 -0.01 0.02 0.00 -0.00 0.00 0.00 40.66 41.29 1a7m h LEU 130 CO 0.13 0.06 -0.96 0.00 -0.00 0.00 0.00 178.44 177.67 1a7m h ARG 132 N 0.41 0.54 -4.38 0.00 0.11 -0.39 -3.40 114.38 107.26 1a7m h ARG 132 Ca -0.11 -0.28 -0.41 0.00 0.10 0.00 0.00 59.98 59.29 1a7m h ARG 132 Cb 1.61 0.01 -0.31 0.00 1.11 0.00 0.00 29.97 32.39 1a7m h ARG 132 CO 0.19 0.86 -0.78 -0.48 0.10 0.00 0.00 179.97 179.86 1a7m s LEU 133 N -9.06 1.68 0.00 0.08 0.05 0.81 -4.74 118.68 107.50 1a7m s LEU 133 Ca -0.13 -0.16 0.00 0.00 0.05 0.00 0.00 54.13 53.89 1a7m s LEU 133 Cb 0.07 -0.49 0.00 0.00 -2.05 0.00 0.00 46.19 43.72 1a7m s LEU 133 CO 0.79 0.03 0.00 0.00 -0.55 0.00 0.00 176.35 176.62 1a7m n ASN 135 N -0.91 1.72 -2.70 0.00 4.05 -1.24 -3.51 115.26 112.66 1a7m n ASN 135 Ca 0.00 0.30 -0.07 0.00 0.45 0.00 0.00 54.58 55.26 1a7m n ASN 135 Cb 0.00 -0.71 0.06 0.00 1.23 0.00 0.00 39.78 40.37 1a7m n ASN 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1a7m n LYS 136 N -4.13 1.26 0.00 1.20 5.02 -1.26 -4.90 118.16 115.35 1a7m n LYS 136 Ca -0.41 -2.81 0.00 0.00 -2.02 0.00 0.00 58.31 53.07 1a7m n LYS 136 Cb 0.76 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.87 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 -0.38 0.00 -3.28 2.13 4.01 -1.26 -4.66 117.16 113.72 1a7m n TYR 137 Ca 0.04 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.53 1a7m n TYR 137 Cb 0.83 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.78 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 0.00 1.37 0.05 -0.72 0.63 -1.26 -3.98 116.66 112.76 1a7m n ARG 138 Ca 0.00 -3.76 0.00 0.00 -0.92 0.00 0.00 57.85 53.17 1a7m n ARG 138 Cb 0.00 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.30 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 1.23 0.00 0.00 5.15 3.14 -1.26 -5.04 118.33 121.56 1a7m n VAL 139 Ca 0.24 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.62 1a7m n VAL 139 Cb 0.48 -0.21 0.00 0.00 -1.06 0.00 0.00 33.84 33.05 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 -0.23 0.81 2.75 7.55 0.00 -1.26 -4.23 105.19 110.58 1a7m n GLY 140 Ca 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 46.02 45.23 1a7m n GLY 140 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1a7m s HIS 141 N -1.73 -0.94 -0.20 1.61 5.04 -1.26 -2.60 115.29 115.20 1a7m s HIS 141 Ca 0.00 -0.26 -0.20 0.00 -1.54 0.00 0.00 55.06 53.06 1a7m s HIS 141 Cb 0.00 0.18 -0.20 0.00 0.04 0.00 0.00 32.58 32.61 1a7m s HIS 141 CO 0.00 -0.73 0.20 1.55 -2.34 0.00 0.00 174.74 173.43 1a7m n VAL 142 N 2.93 1.56 -0.95 0.89 3.14 -1.23 -3.72 118.33 120.94 1a7m n VAL 142 Ca 0.14 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 1a7m n VAL 142 Cb 0.61 -2.00 0.00 0.00 -1.06 0.00 0.00 33.84 31.38 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 -4.33 -5.77 -2.95 6.55 8.00 -1.26 -4.97 116.55 111.83 1a7m n ASP 143 Ca -0.33 0.70 -0.17 0.00 0.71 0.00 0.00 54.79 55.70 1a7m n ASP 143 Cb 0.73 -2.14 -0.01 0.00 -0.02 0.00 0.00 41.12 39.67 1a7m n ASP 143 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1a7m n VAL 144 N -0.13 0.73 -2.12 2.53 3.14 -1.26 -4.85 118.33 116.37 1a7m n VAL 144 Ca 0.00 -4.26 -0.42 0.00 -2.96 0.00 0.00 64.34 56.70 1a7m n VAL 144 Cb 0.00 -0.18 -0.03 0.00 -1.06 0.00 0.00 33.84 32.58 1a7m n VAL 144 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1a7m s PRO 145 N -2.84 4.22 0.62 1.45 0.04 -1.26 -5.00 135.00 132.23 1a7m s PRO 145 Ca 0.38 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.37 1a7m s PRO 145 Cb 0.38 -3.80 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1a7m s PRO 145 CO -0.06 -0.74 1.03 -1.25 0.04 0.00 0.00 177.00 176.02 1a7m s PRO 146 N 3.37 3.59 -0.47 0.56 0.04 -1.26 -4.99 135.00 135.83 1a7m s PRO 146 Ca 0.68 0.74 0.04 0.00 0.04 0.00 0.00 61.00 62.50 1a7m s PRO 146 Cb -0.32 -2.08 0.17 0.00 0.04 0.00 0.00 34.50 32.31 1a7m s PRO 146 CO 0.27 -0.58 0.36 0.14 0.04 0.00 0.00 177.00 177.23 1a7m s VAL 147 N -3.18 0.91 -0.96 -0.36 -7.23 -1.26 -5.03 120.40 103.28 1a7m s VAL 147 Ca 0.55 -2.94 -0.01 0.00 -1.81 0.00 0.00 61.98 57.77 1a7m s VAL 147 Cb -0.11 -1.62 0.31 0.00 0.56 0.00 0.00 36.38 35.51 1a7m s VAL 147 CO 0.54 -1.16 1.45 -0.81 -0.31 0.00 0.00 175.10 174.80 1a7m n PRO 148 N 2.75 4.42 -2.58 4.82 -0.04 -1.26 -4.84 135.00 138.27 1a7m n PRO 148 Ca 0.26 -4.64 -0.42 0.00 -0.04 0.00 0.00 63.50 58.66 1a7m n PRO 148 Cb 0.44 -2.44 0.01 0.00 -0.04 0.00 0.00 33.50 31.47 1a7m n PRO 148 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1a7m n ASP 149 N 0.67 6.22 -1.61 3.54 9.92 -1.26 -4.62 116.55 129.40 1a7m n ASP 149 Ca 0.34 -3.29 0.08 0.00 -0.53 0.00 0.00 54.79 51.39 1a7m n ASP 149 Cb 0.32 -1.35 0.36 0.00 -0.64 0.00 0.00 41.12 39.82 1a7m n ASP 149 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1a7m n HIS 150 N 2.20 1.63 -1.62 1.24 8.25 -1.26 -4.61 115.22 121.04 1a7m n HIS 150 Ca 0.38 -0.67 -0.30 0.00 -0.26 0.00 0.00 57.72 56.87 1a7m n HIS 150 Cb 0.32 -0.34 -0.05 0.00 1.12 0.00 0.00 29.99 31.05 1a7m n HIS 150 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1a7m n SER 151 N 0.80 6.86 -0.02 0.41 2.88 -1.26 -4.02 113.62 119.27 1a7m n SER 151 Ca 0.26 -3.19 -0.03 0.00 -1.33 0.00 0.00 58.87 54.58 1a7m n SER 151 Cb 0.99 -1.27 -0.03 0.00 -0.75 0.00 0.00 64.21 63.15 1a7m n SER 151 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1a7m n ASP 152 N 1.09 3.83 -4.04 -3.46 -0.08 -1.26 -5.01 116.55 107.62 1a7m n ASP 152 Ca 0.52 -0.01 -0.16 0.00 -1.51 0.00 0.00 54.79 53.63 1a7m n ASP 152 Cb 0.48 0.39 -0.13 0.00 2.34 0.00 0.00 41.12 44.20 1a7m n ASP 152 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1a7m s LYS 153 N -2.11 0.60 0.00 -0.67 -0.14 -1.26 -5.06 119.74 111.12 1a7m s LYS 153 Ca -0.04 -0.52 0.00 0.00 -1.36 0.00 0.00 55.97 54.06 1a7m s LYS 153 Cb 0.01 -0.52 0.00 0.00 -1.68 0.00 0.00 37.83 35.65 1a7m s LYS 153 CO 0.16 0.13 0.00 -0.85 -0.76 0.00 0.00 175.35 174.03 1a7m n GLU 154 N 2.21 0.00 -0.33 1.68 -0.00 -1.26 -1.23 120.64 121.71 1a7m n GLU 154 Ca -0.17 0.06 0.17 0.00 -0.00 0.00 0.00 57.16 57.22 1a7m n GLU 154 Cb 0.56 -0.35 0.37 0.00 -0.00 0.00 0.00 31.44 32.02 1a7m n GLU 154 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1a7m h VAL 155 N 0.00 0.50 -0.32 3.84 2.07 -2.00 0.93 116.25 121.27 1a7m h VAL 155 Ca 0.00 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 1a7m h VAL 155 Cb 0.00 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 1a7m h VAL 155 CO 0.00 0.09 -0.12 -0.26 0.02 0.00 0.00 177.57 177.30 1a7m h PHE 156 N 0.51 0.74 -0.69 1.57 -1.00 -1.98 -0.68 116.94 115.40 1a7m h PHE 156 Ca 0.63 -0.17 0.13 0.00 2.81 0.00 0.00 57.97 61.37 1a7m h PHE 156 Cb 1.23 -0.17 -0.09 0.00 3.61 0.00 0.00 35.95 40.52 1a7m h PHE 156 CO -0.04 0.85 0.22 0.37 -1.61 0.00 0.00 178.31 178.10 1a7m h GLN 157 N 0.42 0.35 0.00 1.51 -0.00 0.23 1.12 115.11 118.73 1a7m h GLN 157 Ca 0.08 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1a7m h GLN 157 Cb 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.03 1a7m h GLN 157 CO 0.04 0.23 0.00 1.63 0.00 0.00 0.00 178.83 180.73 1a7m n LYS 158 N -5.06 0.00 -0.30 1.69 4.76 -0.29 0.06 118.16 119.02 1a7m n LYS 158 Ca 0.12 0.12 0.15 0.00 -2.87 0.00 0.00 58.31 55.83 1a7m n LYS 158 Cb 0.38 -1.08 0.40 0.00 -1.84 0.00 0.00 35.03 32.88 1a7m n LYS 158 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1a7m h LYS 159 N 0.00 0.62 -0.01 1.97 1.79 -1.00 -1.75 116.57 118.19 1a7m h LYS 159 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1a7m h LYS 159 Cb 0.00 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 1a7m h LYS 159 CO 0.00 0.41 -0.14 0.36 -1.08 0.00 0.00 179.45 179.00 1a7m n LYS 160 N -4.63 1.25 -0.56 3.15 2.85 0.38 -4.32 118.16 116.28 1a7m n LYS 160 Ca 0.21 -0.75 0.44 0.00 -1.05 0.00 0.00 58.31 57.16 1a7m n LYS 160 Cb 0.60 -1.48 0.70 0.00 -0.65 0.00 0.00 35.03 34.19 1a7m n LYS 160 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1a7m n LEU 161 N -0.22 0.08 -0.13 -5.58 -0.00 0.11 -0.22 117.00 111.03 1a7m n LEU 161 Ca 0.15 1.05 -0.25 0.00 -0.00 0.00 0.00 56.01 56.96 1a7m n LEU 161 Cb 0.36 -0.52 -0.08 0.00 -0.00 0.00 0.00 43.42 43.18 1a7m n LEU 161 CO 0.21 -1.09 -1.25 0.61 -0.00 0.00 0.00 177.39 175.87 1a7m n GLY 162 N -1.70 -0.48 0.36 -3.96 0.00 -1.26 -4.63 105.19 93.52 1a7m n GLY 162 Ca 0.39 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.00 0.12 0.00 4.15 -1.30 0.47 115.11 118.55 1a7m h GLN 164 Ca 0.20 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 59.25 1a7m h GLN 164 Cb 0.42 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 1a7m h GLN 164 CO -0.85 0.00 -2.02 1.28 -1.93 0.00 0.00 178.83 175.31 1a7m n LEU 165 N -4.23 2.65 -0.31 -2.39 7.99 0.27 -3.71 117.00 117.27 1a7m n LEU 165 Ca 0.17 0.19 0.08 0.00 -0.01 0.00 0.00 56.01 56.44 1a7m n LEU 165 Cb 0.90 -1.11 0.30 0.00 -0.11 0.00 0.00 43.42 43.40 1a7m n LEU 165 CO 0.38 0.86 1.23 -0.07 -1.51 0.00 0.00 177.39 178.28 1a7m h LEU 166 N 0.07 0.81 0.22 2.23 -0.00 0.22 0.37 115.31 119.23 1a7m h LEU 166 Ca -0.43 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.48 1a7m h LEU 166 Cb 2.03 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 42.55 1a7m h LEU 166 CO 0.08 0.45 -0.18 1.23 -0.00 0.00 0.00 178.44 180.02 1a7m h GLY 167 N 0.88 -0.83 -0.03 0.83 0.00 -1.05 0.16 103.07 103.02 1a7m h GLY 167 Ca 0.45 0.37 0.03 0.00 0.00 0.00 0.00 47.33 48.17 1a7m h GLY 167 CO -0.21 -0.28 -0.50 -0.91 0.00 0.00 0.00 176.54 174.64 1a7m h THR 168 N -0.39 0.05 -0.84 4.70 1.35 -1.11 -0.07 112.91 116.60 1a7m h THR 168 Ca -0.03 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 66.00 1a7m h THR 168 Cb 0.33 0.05 -0.16 0.00 -1.73 0.00 0.00 68.15 66.63 1a7m h THR 168 CO -0.00 0.00 -0.20 0.00 -0.25 0.00 0.00 175.52 175.06 1a7m n TYR 169 N -5.45 0.31 0.28 4.73 9.36 0.13 0.34 117.16 126.86 1a7m n TYR 169 Ca -0.06 1.03 -0.13 0.00 3.32 0.00 0.00 57.90 62.06 1a7m n TYR 169 Cb 0.38 -0.99 -0.07 0.00 -0.63 0.00 0.00 39.34 38.03 1a7m n TYR 169 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1a7m h LYS 170 N 0.00 -0.76 -0.93 2.98 3.64 0.13 0.67 116.57 122.30 1a7m h LYS 170 Ca 0.41 0.05 0.28 0.00 -1.27 0.00 0.00 60.65 60.11 1a7m h LYS 170 Cb 0.63 0.17 -0.15 0.00 -0.41 0.00 0.00 32.23 32.47 1a7m h LYS 170 CO -0.86 -0.51 0.32 1.96 -2.27 0.00 0.00 179.45 178.09 1a7m h GLN 171 N -0.79 0.19 0.05 1.90 1.08 0.29 0.44 115.11 118.28 1a7m h GLN 171 Ca -0.07 -0.01 -0.23 0.00 -1.45 0.00 0.00 58.65 56.89 1a7m h GLN 171 Cb 0.64 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 1a7m h GLN 171 CO 0.05 0.13 -1.22 -0.39 -0.95 0.00 0.00 178.83 176.45 1a7m h VAL 172 N 0.20 1.05 -0.99 -0.54 -1.51 -0.66 -3.34 116.25 110.44 1a7m h VAL 172 Ca 0.63 -2.30 0.15 0.00 -1.23 0.00 0.00 66.70 63.95 1a7m h VAL 172 Cb 1.36 2.58 -0.09 0.00 -2.13 0.00 0.00 31.29 33.00 1a7m h VAL 172 CO -0.68 0.55 0.62 0.40 -1.23 0.00 0.00 177.57 177.22 1a7m h ILE 173 N -0.65 0.82 0.00 7.19 1.08 0.86 0.47 117.51 127.27 1a7m h ILE 173 Ca -0.29 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 1a7m h ILE 173 Cb 1.50 -0.12 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 1a7m h ILE 173 CO -0.06 0.16 0.01 -1.20 -0.69 0.00 0.00 178.15 176.36 1a7m n SER 174 N -4.67 0.21 -0.09 1.72 7.64 0.10 -0.07 113.62 118.46 1a7m n SER 174 Ca 0.21 0.59 -0.09 0.00 1.01 0.00 0.00 58.87 60.58 1a7m n SER 174 Cb 0.46 -0.62 -0.12 0.00 -1.01 0.00 0.00 64.21 62.92 1a7m n SER 174 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1a7m n VAL 175 N -1.78 1.15 0.04 0.44 0.31 0.15 -3.91 118.33 114.72 1a7m n VAL 175 Ca -0.01 -0.65 -0.07 0.00 -0.01 0.00 0.00 64.34 63.60 1a7m n VAL 175 Cb 0.02 -0.69 -0.12 0.00 -0.91 0.00 0.00 33.84 32.14 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 1.32 0.00 2.52 -1.51 0.37 -1.27 116.25 117.68 1a7m h VAL 176 Ca -0.45 -3.05 -0.03 0.00 -1.23 0.00 0.00 66.70 61.93 1a7m h VAL 176 Cb 1.96 2.64 -0.00 0.00 -2.13 0.00 0.00 31.29 33.76 1a7m h VAL 176 CO 0.01 0.75 -0.16 1.62 -1.23 0.00 0.00 177.57 178.55 1a7m h VAL 177 N 0.00 1.03 -0.42 7.19 3.04 -0.70 0.15 116.25 126.54 1a7m h VAL 177 Ca -0.11 -0.57 -0.14 0.00 -1.01 0.00 0.00 66.70 64.86 1a7m h VAL 177 Cb 1.83 1.32 -0.08 0.00 -2.01 0.00 0.00 31.29 32.34 1a7m h VAL 177 CO 0.11 0.16 0.06 0.00 -1.01 0.00 0.00 177.57 176.88 1a7m n GLN 178 N -4.22 2.54 -0.08 4.17 6.02 -1.13 -4.63 117.38 120.05 1a7m n GLN 178 Ca -0.02 -3.03 -0.15 0.00 -0.01 0.00 0.00 57.00 53.78 1a7m n GLN 178 Cb 0.23 -1.91 -0.06 0.00 1.02 0.00 0.00 30.24 29.52 1a7m n GLN 178 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a7m n ALA 179 N -0.76 1.83 -0.14 -1.58 0.00 0.50 -4.95 120.51 115.41 1a7m n ALA 179 Ca 0.32 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1a7m n ALA 179 Cb 1.08 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.76 1a7m n ALA 179 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47