#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7m n PRO 2 N 0.00 0.09 -4.06 1.43 -0.04 -1.26 -5.13 135.00 126.03 1a7m n PRO 2 Ca 0.00 -2.13 -0.34 0.00 -0.04 0.00 0.00 63.50 60.98 1a7m n PRO 2 Cb 0.00 -0.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.82 1a7m n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1a7m s LEU 3 N 0.00 2.64 0.75 1.53 1.02 -1.26 -5.13 118.68 118.24 1a7m s LEU 3 Ca 0.51 -0.46 -0.11 0.00 0.02 0.00 0.00 54.13 54.09 1a7m s LEU 3 Cb -0.03 -1.65 0.05 0.00 0.02 0.00 0.00 46.19 44.58 1a7m s LEU 3 CO 0.34 0.00 1.12 -2.16 0.02 0.00 0.00 176.35 175.67 1a7m s PRO 4 N 1.31 2.35 0.10 1.29 0.04 -1.26 -4.95 135.00 133.88 1a7m s PRO 4 Ca 0.04 0.19 -0.13 0.00 0.04 0.00 0.00 61.00 61.13 1a7m s PRO 4 Cb -0.14 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1a7m s PRO 4 CO -0.05 -1.32 0.81 -0.89 0.04 0.00 0.00 177.00 175.58 1a7m n ILE 5 N -3.13 -0.32 -5.13 0.56 5.41 -1.26 -4.27 119.36 111.21 1a7m n ILE 5 Ca 0.07 1.25 -0.29 0.00 1.00 0.00 0.00 62.75 64.78 1a7m n ILE 5 Cb 0.59 -1.58 -0.16 0.00 -0.71 0.00 0.00 39.64 37.79 1a7m n ILE 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1a7m s THR 6 N -5.35 1.81 -0.85 1.39 -4.23 -1.26 -5.03 115.64 102.12 1a7m s THR 6 Ca -0.07 -0.98 -0.07 0.00 -1.18 0.00 0.00 61.69 59.39 1a7m s THR 6 Cb 0.08 -1.50 -0.12 0.00 1.34 0.00 0.00 72.50 72.29 1a7m s THR 6 CO 0.34 0.51 2.73 -0.81 -0.54 0.00 0.00 174.62 176.85 1a7m n PRO 7 N 2.50 2.49 -3.18 3.99 -0.04 -1.26 -4.48 135.00 135.03 1a7m n PRO 7 Ca -0.16 -1.49 -0.21 0.00 -0.04 0.00 0.00 63.50 61.60 1a7m n PRO 7 Cb 0.52 -2.38 -0.05 0.00 -0.04 0.00 0.00 33.50 31.55 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 3.42 0.20 -3.27 0.52 3.14 -1.26 -5.02 118.33 116.07 1a7m n VAL 8 Ca 0.53 -4.58 -0.46 0.00 -2.96 0.00 0.00 64.34 56.88 1a7m n VAL 8 Cb 0.38 -0.99 -0.05 0.00 -1.06 0.00 0.00 33.84 32.12 1a7m n VAL 8 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1a7m s ASN 9 N -2.19 6.19 0.00 6.55 0.02 -1.26 -4.58 114.94 119.66 1a7m s ASN 9 Ca 0.40 -1.68 0.00 0.00 -1.02 0.00 0.00 52.86 50.56 1a7m s ASN 9 Cb 0.28 -2.23 0.00 0.00 0.02 0.00 0.00 41.25 39.32 1a7m s ASN 9 CO -0.09 -0.91 0.00 0.00 0.02 0.00 0.00 177.10 176.12 1a7m n ALA 10 N 5.50 0.00 -0.00 0.60 0.00 -1.26 -4.99 120.51 120.35 1a7m n ALA 10 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1a7m n ALA 10 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.04 0.00 -0.56 0.00 -1.04 -1.26 -4.80 114.28 106.57 1a7m n THR 11 Ca 0.00 -0.24 -0.03 0.00 -2.04 0.00 0.00 64.05 61.75 1a7m n THR 11 Cb 0.00 1.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.48 1a7m n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a7m n ALA 13 N 1.79 2.50 -2.69 0.00 0.00 -1.26 -4.34 120.51 116.51 1a7m n ALA 13 Ca 0.09 -0.23 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1a7m n ALA 13 Cb 0.54 0.27 0.02 0.00 0.00 0.00 0.00 19.45 20.28 1a7m n ALA 13 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1a7m n ILE 14 N -3.60 5.92 1.01 0.00 -0.00 0.44 -4.36 119.36 118.78 1a7m n ILE 14 Ca -0.07 -5.91 0.14 0.00 -0.00 0.00 0.00 62.75 56.91 1a7m n ILE 14 Cb 0.29 -1.68 0.62 0.00 -0.00 0.00 0.00 39.64 38.86 1a7m n ILE 14 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 1a7m n ARG 15 N 0.32 0.03 -4.24 0.38 0.63 -1.10 -4.22 116.66 108.46 1a7m n ARG 15 Ca 0.43 0.01 -0.27 0.00 -0.92 0.00 0.00 57.85 57.10 1a7m n ARG 15 Cb 0.27 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.60 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 -2.97 2.74 -0.96 -0.14 3.76 -1.24 -4.77 115.29 111.71 1a7m s HIS 16 Ca 0.15 -0.17 -0.22 0.00 -0.15 0.00 0.00 55.06 54.67 1a7m s HIS 16 Cb 0.19 -1.36 -0.12 0.00 1.11 0.00 0.00 32.58 32.40 1a7m s HIS 16 CO 0.51 0.50 1.92 -0.35 -0.85 0.00 0.00 174.74 176.48 1a7m n PRO 17 N 0.12 1.60 -0.36 8.40 -0.04 -1.26 -4.76 135.00 138.69 1a7m n PRO 17 Ca -0.11 -2.15 0.05 0.00 -0.04 0.00 0.00 63.50 61.25 1a7m n PRO 17 Cb 0.55 -3.27 0.12 0.00 -0.04 0.00 0.00 33.50 30.86 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 -5.60 -2.87 0.00 0.00 8.25 -1.26 -5.10 115.22 108.63 1a7m n HIS 19 Ca 0.15 -1.10 0.00 0.00 -0.26 0.00 0.00 57.72 56.51 1a7m n HIS 19 Cb 0.48 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 0.81 0.10 0.33 -1.41 0.00 -1.26 -4.76 105.19 98.99 1a7m n GLY 20 Ca 0.09 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.36 1a7m n GLY 20 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1a7m h ASN 21 N 0.00 0.21 0.00 1.61 -0.26 -1.99 -3.37 115.58 111.78 1a7m h ASN 21 Ca 0.00 0.24 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 1a7m h ASN 21 Cb 0.00 0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1a7m h ASN 21 CO 0.00 -0.30 0.00 -0.11 -1.06 0.00 0.00 177.43 175.96 1a7m n LEU 22 N -5.23 0.00 -0.21 1.61 0.00 -1.26 0.18 117.00 112.09 1a7m n LEU 22 Ca 0.32 0.00 0.02 0.00 0.00 0.00 0.00 56.01 56.34 1a7m n LEU 22 Cb 1.04 0.00 0.12 0.00 0.00 0.00 0.00 43.42 44.57 1a7m n LEU 22 CO 0.03 0.00 0.88 -0.03 0.00 0.00 0.00 177.39 178.27 1a7m h MET 23 N 0.00 0.18 -0.63 1.96 4.05 -1.95 0.39 114.93 118.93 1a7m h MET 23 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1a7m h MET 23 Cb 0.00 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1a7m h MET 23 CO 0.00 0.12 0.00 -1.71 0.23 0.00 0.00 176.91 175.55 1a7m n ASN 24 N -5.21 3.99 -0.08 1.39 5.15 0.13 -3.73 115.26 116.89 1a7m n ASN 24 Ca 0.10 -2.41 -0.09 0.00 -0.60 0.00 0.00 54.58 51.57 1a7m n ASN 24 Cb 0.36 -0.53 -0.04 0.00 -0.53 0.00 0.00 39.78 39.04 1a7m n ASN 24 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1a7m n GLN 25 N 0.79 0.49 -0.20 1.20 0.00 0.13 -2.35 117.38 117.43 1a7m n GLN 25 Ca 0.21 0.50 0.18 0.00 -0.00 0.00 0.00 57.00 57.88 1a7m n GLN 25 Cb 0.77 -1.67 0.52 0.00 0.00 0.00 0.00 30.24 29.86 1a7m n GLN 25 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.06 176.22 1a7m h ILE 26 N -1.00 0.73 0.56 1.69 3.07 -1.42 0.76 117.51 121.90 1a7m h ILE 26 Ca -0.10 -0.13 -0.03 0.00 1.55 0.00 0.00 64.86 66.15 1a7m h ILE 26 Cb 0.76 0.31 0.01 0.00 -0.27 0.00 0.00 36.82 37.62 1a7m h ILE 26 CO -0.06 0.07 -0.27 0.50 -1.05 0.00 0.00 178.15 177.34 1a7m h LYS 27 N 0.39 -0.73 0.00 0.16 1.63 -1.68 0.19 116.57 116.52 1a7m h LYS 27 Ca 0.42 0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 60.20 1a7m h LYS 27 Cb 1.04 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 1a7m h LYS 27 CO -0.14 -0.42 -0.32 -0.97 -3.45 0.00 0.00 179.45 174.15 1a7m h ASN 28 N -1.03 0.00 0.01 4.20 -0.73 -0.95 -1.06 115.58 116.03 1a7m h ASN 28 Ca -0.08 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.01 1a7m h ASN 28 Cb 0.64 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.24 1a7m h ASN 28 CO 0.13 0.32 -0.35 -0.61 -0.37 0.00 0.00 177.43 176.55 1a7m h GLN 29 N 0.00 0.21 -0.34 6.67 5.75 0.55 -3.33 115.11 124.62 1a7m h GLN 29 Ca -0.00 -0.25 -0.07 0.00 -0.15 0.00 0.00 58.65 58.18 1a7m h GLN 29 Cb 0.59 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 1a7m h GLN 29 CO 0.04 0.99 -0.06 1.25 -2.65 0.00 0.00 178.83 178.40 1a7m h LEU 30 N -0.45 0.65 -1.00 -2.39 5.85 -0.50 -3.11 115.31 114.36 1a7m h LEU 30 Ca -0.05 -0.35 0.20 0.00 0.84 0.00 0.00 57.88 58.52 1a7m h LEU 30 Cb 1.12 -0.18 -0.19 0.00 0.37 0.00 0.00 40.66 41.78 1a7m h LEU 30 CO 0.07 0.85 -0.26 0.00 -0.34 0.00 0.00 178.44 178.76 1a7m h ALA 31 N 0.82 0.63 -0.80 1.25 0.00 -1.30 1.00 119.26 120.86 1a7m h ALA 31 Ca 0.09 0.38 0.18 0.00 0.00 0.00 0.00 54.91 55.57 1a7m h ALA 31 Cb 0.55 0.77 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 1a7m h ALA 31 CO 0.03 -0.39 0.25 1.96 0.00 0.00 0.00 179.25 181.10 1a7m h GLN 32 N -0.00 0.30 0.00 0.00 1.08 -1.65 0.25 115.11 115.09 1a7m h GLN 32 Ca 0.47 -0.02 -0.18 0.00 -1.45 0.00 0.00 58.65 57.47 1a7m h GLN 32 Cb 0.72 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.06 1a7m h GLN 32 CO -1.02 0.20 -0.85 -0.07 -0.95 0.00 0.00 178.83 176.13 1a7m h LEU 33 N 0.31 0.00 0.85 1.46 3.38 0.78 -2.90 115.31 119.19 1a7m h LEU 33 Ca 0.47 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.40 1a7m h LEU 33 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1a7m h LEU 33 CO -0.53 0.85 -0.46 -1.13 0.09 0.00 0.00 178.44 177.26 1a7m h ASN 34 N 0.00 -1.13 -0.98 -0.43 -0.00 0.26 1.30 115.58 114.60 1a7m h ASN 34 Ca -0.01 0.05 0.24 0.00 -0.00 0.00 0.00 56.30 56.58 1a7m h ASN 34 Cb 1.55 0.31 -0.18 0.00 -0.00 0.00 0.00 38.32 40.00 1a7m h ASN 34 CO 0.11 -0.74 -0.08 1.23 -0.00 0.00 0.00 177.43 177.95 1a7m h GLY 35 N -1.21 1.02 2.00 1.57 0.00 -0.75 0.81 103.07 106.51 1a7m h GLY 35 Ca -0.12 0.22 -0.15 0.00 0.00 0.00 0.00 47.33 47.28 1a7m h GLY 35 CO 0.16 -0.45 -0.72 1.48 0.00 0.00 0.00 176.54 177.01 1a7m h SER 36 N 0.01 0.00 -1.09 0.19 4.64 -1.22 -2.52 113.55 113.57 1a7m h SER 36 Ca 0.54 0.00 0.32 0.00 -0.47 0.00 0.00 61.79 62.18 1a7m h SER 36 Cb 1.01 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.98 1a7m h SER 36 CO -0.95 0.72 0.67 0.00 -0.87 0.00 0.00 176.83 176.40 1a7m h ALA 37 N 1.28 2.21 0.09 5.18 0.00 0.87 2.76 119.26 131.64 1a7m h ALA 37 Ca -0.01 0.13 -0.35 0.00 0.00 0.00 0.00 54.91 54.68 1a7m h ALA 37 Cb 1.44 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1a7m h ALA 37 CO 0.09 -0.74 -1.96 -1.71 0.00 0.00 0.00 179.25 174.93 1a7m n ASN 38 N -4.82 2.07 -0.01 0.00 4.05 -0.96 -3.67 115.26 111.93 1a7m n ASN 38 Ca 0.31 0.21 -0.00 0.00 0.45 0.00 0.00 54.58 55.54 1a7m n ASN 38 Cb 1.03 -0.83 -0.00 0.00 1.23 0.00 0.00 39.78 41.21 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 -0.05 -0.06 -0.78 5.20 0.00 0.02 -3.25 119.26 120.34 1a7m h ALA 39 Ca -0.44 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.56 1a7m h ALA 39 Cb 1.90 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.59 1a7m h ALA 39 CO 0.01 -0.06 -0.38 -0.11 0.00 0.00 0.00 179.25 178.71 1a7m n LEU 40 N -3.15 -0.66 -0.28 0.00 -0.00 0.89 0.46 117.00 114.25 1a7m n LEU 40 Ca -0.00 1.37 -0.07 0.00 -0.00 0.00 0.00 56.01 57.30 1a7m n LEU 40 Cb 0.01 -0.24 -0.07 0.00 -0.00 0.00 0.00 43.42 43.12 1a7m n LEU 40 CO 0.01 -1.17 0.37 0.33 -0.00 0.00 0.00 177.39 176.92 1a7m n PHE 41 N -5.06 -0.29 -0.17 1.96 7.35 -0.95 0.20 117.46 120.49 1a7m n PHE 41 Ca 0.05 0.84 -0.09 0.00 -0.76 0.00 0.00 57.45 57.48 1a7m n PHE 41 Cb 0.26 -0.54 0.01 0.00 0.35 0.00 0.00 39.48 39.55 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 1.26 0.00 -2.13 5.03 -0.02 0.08 117.51 121.73 1a7m h ILE 42 Ca 0.11 -0.99 0.00 0.00 -0.12 0.00 0.00 64.86 63.86 1a7m h ILE 42 Cb 0.27 0.92 0.00 0.00 -3.03 0.00 0.00 36.82 34.98 1a7m h ILE 42 CO -0.63 0.35 0.00 0.28 -0.68 0.00 0.00 178.15 177.47 1a7m h SER 43 N 0.72 0.00 0.00 1.72 0.02 0.18 -2.54 113.55 113.65 1a7m h SER 43 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1a7m h SER 43 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1a7m h SER 43 CO 0.02 0.00 -0.48 0.00 -1.14 0.00 0.00 176.83 175.22 1a7m n TYR 44 N -2.30 0.73 0.28 3.45 4.19 0.52 -4.30 117.16 119.73 1a7m n TYR 44 Ca 0.01 0.32 0.15 0.00 3.31 0.00 0.00 57.90 61.69 1a7m n TYR 44 Cb 0.19 -0.68 0.84 0.00 0.49 0.00 0.00 39.34 40.19 1a7m n TYR 44 CO 0.00 0.00 0.00 0.10 0.91 0.00 0.00 176.86 177.87 1a7m h TYR 45 N -0.87 0.00 -1.00 2.98 -0.00 -1.01 -1.55 116.97 115.53 1a7m h TYR 45 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 58.73 58.75 1a7m h TYR 45 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.16 1a7m h TYR 45 CO -0.21 0.07 0.66 1.79 -0.00 0.00 0.00 178.16 180.47 1a7m h THR 46 N 0.00 1.22 -0.07 -0.90 1.35 -1.67 0.20 112.91 113.05 1a7m h THR 46 Ca -0.00 -0.45 0.02 0.00 -0.55 0.00 0.00 66.41 65.43 1a7m h THR 46 Cb 0.24 -0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 66.44 1a7m h THR 46 CO 0.01 0.24 0.18 0.00 -0.25 0.00 0.00 175.52 175.70 1a7m h ALA 47 N 1.40 1.40 -0.00 6.62 0.00 -1.46 0.52 119.26 127.73 1a7m h ALA 47 Ca 0.38 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.08 1a7m h ALA 47 Cb -0.08 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1a7m h ALA 47 CO -0.10 -0.22 -0.90 1.96 0.00 0.00 0.00 179.25 179.99 1a7m h GLN 48 N 0.00 0.32 0.00 0.00 1.08 -0.70 -3.41 115.11 112.40 1a7m h GLN 48 Ca 0.03 -0.34 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 1a7m h GLN 48 Cb 0.40 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1a7m h GLN 48 CO -0.00 1.03 0.00 0.41 -0.95 0.00 0.00 178.83 179.32 1a7m n GLY 49 N 0.89 0.97 3.48 3.46 0.00 0.18 -4.98 105.19 109.18 1a7m n GLY 49 Ca -0.05 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 1.73 -0.61 1.61 -1.05 -1.26 -4.18 118.70 114.94 1a7m s GLU 50 Ca 0.00 -1.99 -0.02 0.00 -0.15 0.00 0.00 54.97 52.81 1a7m s GLU 50 Cb 0.00 -0.83 0.33 0.00 -0.44 0.00 0.00 34.13 33.20 1a7m s GLU 50 CO 0.00 -0.26 2.12 -0.35 0.95 0.00 0.00 175.26 177.72 1a7m n PRO 51 N -0.76 2.48 -0.01 -4.83 -0.04 -1.26 -4.98 135.00 125.59 1a7m n PRO 51 Ca -0.04 -2.86 -0.10 0.00 -0.04 0.00 0.00 63.50 60.46 1a7m n PRO 51 Cb 0.66 -2.12 -0.08 0.00 -0.04 0.00 0.00 33.50 31.92 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 2.21 -0.08 -1.00 0.54 0.04 -1.91 -2.97 116.94 113.78 1a7m h PHE 52 Ca 0.51 -0.00 0.29 0.00 2.80 0.00 0.00 57.97 61.56 1a7m h PHE 52 Cb 0.66 0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.79 1a7m h PHE 52 CO 1.25 0.48 0.89 -0.35 -0.60 0.00 0.00 178.31 179.98 1a7m n PRO 53 N -4.78 0.01 0.00 1.51 -0.04 -1.26 0.11 135.00 130.55 1a7m n PRO 53 Ca -0.07 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1a7m n PRO 53 Cb 0.29 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1a7m n PRO 53 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a7m n ASN 54 N -2.92 0.47 -0.05 3.54 5.03 -1.26 -4.75 115.26 115.32 1a7m n ASN 54 Ca 0.22 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.93 1a7m n ASN 54 Cb 1.19 0.39 0.00 0.00 -1.02 0.00 0.00 39.78 40.34 1a7m n ASN 54 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1a7m n ASN 55 N -0.39 0.37 -0.30 6.41 3.02 0.13 -4.77 115.26 119.72 1a7m n ASN 55 Ca 0.00 -1.31 0.31 0.00 -0.03 0.00 0.00 54.58 53.56 1a7m n ASN 55 Cb 0.02 -0.03 0.69 0.00 -0.61 0.00 0.00 39.78 39.85 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 0.00 0.11 -0.57 3.41 8.10 0.62 0.25 115.31 127.22 1a7m h LEU 56 Ca 0.00 0.02 0.05 0.00 0.11 0.00 0.00 57.88 58.06 1a7m h LEU 56 Cb 0.96 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.14 1a7m h LEU 56 CO 0.00 0.02 0.30 0.44 -4.11 0.00 0.00 178.44 175.08 1a7m h ASP 57 N 0.09 0.42 -0.12 0.17 5.19 -1.84 1.25 116.42 121.60 1a7m h ASP 57 Ca 0.55 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.99 1a7m h ASP 57 Cb 2.01 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.47 1a7m h ASP 57 CO -0.08 0.28 0.00 0.29 -3.12 0.00 0.00 179.24 176.62 1a7m n LYS 58 N -4.86 1.27 -0.01 3.56 5.02 0.64 -3.53 118.16 120.25 1a7m n LYS 58 Ca 0.06 -1.45 -0.00 0.00 -2.02 0.00 0.00 58.31 54.90 1a7m n LYS 58 Cb 0.16 -1.23 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 1a7m n LYS 58 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a7m n LEU 59 N 0.61 0.00 -2.58 -0.35 4.77 0.21 -4.77 117.00 114.88 1a7m n LEU 59 Ca 0.08 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.98 1a7m n LEU 59 Cb 0.33 0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1a7m n LEU 59 CO 0.07 0.06 0.04 0.00 -1.33 0.00 0.00 177.39 176.24 1a7m n GLY 61 N -0.59 1.48 3.76 0.00 0.00 -1.02 -2.94 105.19 105.88 1a7m n GLY 61 Ca 0.19 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.18 0.30 0.10 1.61 0.04 -1.26 -4.70 135.00 128.91 1a7m s PRO 62 Ca 0.28 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1a7m s PRO 62 Cb 0.34 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 33.12 1a7m s PRO 62 CO -0.09 -2.71 0.00 0.09 0.04 0.00 0.00 177.00 174.33 1a7m n ASN 63 N -4.07 -0.03 -3.15 6.66 4.13 -1.26 -1.88 115.26 115.66 1a7m n ASN 63 Ca 0.10 0.16 -0.26 0.00 1.68 0.00 0.00 54.58 56.26 1a7m n ASN 63 Cb 0.59 0.13 -0.06 0.00 -1.54 0.00 0.00 39.78 38.90 1a7m n ASN 63 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1a7m n VAL 64 N -2.86 2.52 0.00 2.41 0.31 -1.26 -4.82 118.33 114.63 1a7m n VAL 64 Ca 0.00 -5.34 0.00 0.00 -0.01 0.00 0.00 64.34 58.99 1a7m n VAL 64 Cb 0.03 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 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 0.27 0.00 -1.44 2.52 5.66 -1.26 -4.93 114.28 115.10 1a7m n THR 65 Ca 0.30 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.37 1a7m n THR 65 Cb 0.42 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 69.37 1a7m n THR 65 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1a7m n ASP 66 N 0.00 1.89 -4.94 1.09 8.00 -1.26 -4.99 116.55 116.35 1a7m n ASP 66 Ca 0.00 -3.54 -0.27 0.00 0.71 0.00 0.00 54.79 51.69 1a7m n ASP 66 Cb 0.00 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.58 1a7m n ASP 66 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1a7m s PHE 67 N -2.98 3.48 -0.38 1.24 -0.71 -1.26 -4.91 117.98 112.46 1a7m s PHE 67 Ca 0.35 0.13 -0.28 0.00 -1.04 0.00 0.00 56.93 56.09 1a7m s PHE 67 Cb 0.33 -1.67 -0.08 0.00 -1.21 0.00 0.00 43.02 40.39 1a7m s PHE 67 CO -0.04 0.53 2.32 -0.35 -1.34 0.00 0.00 175.22 176.34 1a7m n PRO 68 N -0.42 1.39 -1.05 1.99 -0.04 -1.26 -4.83 135.00 130.78 1a7m n PRO 68 Ca -0.07 0.27 -0.35 0.00 -0.04 0.00 0.00 63.50 63.31 1a7m n PRO 68 Cb 0.54 -3.13 -0.10 0.00 -0.04 0.00 0.00 33.50 30.77 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 8.77 0.42 -1.53 0.54 -0.04 -1.26 -4.90 135.00 137.00 1a7m n PRO 69 Ca 0.36 -1.47 -0.49 0.00 -0.04 0.00 0.00 63.50 61.86 1a7m n PRO 69 Cb 0.43 -3.08 -0.04 0.00 -0.04 0.00 0.00 33.50 30.77 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 12.29 0.78 -3.63 0.54 -0.00 -1.26 -4.98 117.46 121.19 1a7m n PHE 70 Ca 0.46 0.80 -0.23 0.00 -0.00 0.00 0.00 57.45 58.47 1a7m n PHE 70 Cb 0.44 -2.17 -0.17 0.00 -0.00 0.00 0.00 39.48 37.57 1a7m n PHE 70 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.76 173.38 1a7m s HIS 71 N -0.52 0.12 -1.20 -5.13 -3.43 -1.26 -5.03 115.29 98.83 1a7m s HIS 71 Ca 0.70 -0.07 -0.21 0.00 -0.80 0.00 0.00 55.06 54.68 1a7m s HIS 71 Cb -0.89 -0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 29.61 1a7m s HIS 71 CO 0.55 -0.39 1.88 0.00 -2.00 0.00 0.00 174.74 174.79 1a7m n ALA 72 N 5.29 2.49 -2.34 -1.38 0.00 -1.26 -4.64 120.51 118.68 1a7m n ALA 72 Ca -0.05 -3.30 -0.40 0.00 0.00 0.00 0.00 53.44 49.69 1a7m n ALA 72 Cb 0.49 -3.53 0.02 0.00 0.00 0.00 0.00 19.45 16.44 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 12.08 7.43 -3.61 0.00 5.15 -1.26 -4.80 115.26 130.26 1a7m n ASN 73 Ca 0.47 -3.69 -0.19 0.00 -0.60 0.00 0.00 54.58 50.57 1a7m n ASN 73 Cb 0.46 -1.15 -0.06 0.00 -0.53 0.00 0.00 39.78 38.50 1a7m n ASN 73 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1a7m n GLY 74 N -0.08 -0.07 2.79 8.20 0.00 -1.26 -4.92 105.19 109.84 1a7m n GLY 74 Ca 0.50 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.84 0.91 0.22 2.61 2.01 -1.26 -4.99 115.64 111.30 1a7m s THR 75 Ca 0.00 -1.04 -0.16 0.00 0.31 0.00 0.00 61.69 60.80 1a7m s THR 75 Cb -0.00 -1.46 0.25 0.00 0.01 0.00 0.00 72.50 71.29 1a7m s THR 75 CO 0.61 -0.36 1.58 -0.33 -0.69 0.00 0.00 174.62 175.43 1a7m h GLU 76 N 8.11 -0.05 -0.69 4.92 4.39 -1.96 0.70 114.58 129.99 1a7m h GLU 76 Ca -0.15 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.70 1a7m h GLU 76 Cb 1.07 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.63 1a7m h GLU 76 CO 0.40 -0.04 0.14 -0.22 -1.16 0.00 0.00 179.01 178.14 1a7m h LYS 77 N -0.06 0.24 0.04 2.33 3.11 -1.94 0.33 116.57 120.63 1a7m h LYS 77 Ca 0.33 -0.01 -0.23 0.00 -2.81 0.00 0.00 60.65 57.93 1a7m h LYS 77 Cb 0.59 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.76 1a7m h LYS 77 CO -0.84 0.16 -1.02 0.00 -2.81 0.00 0.00 179.45 174.94 1a7m h ALA 78 N 1.58 0.34 -0.58 5.00 0.00 -0.25 0.23 119.26 125.58 1a7m h ALA 78 Ca 0.38 -0.80 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1a7m h ALA 78 Cb 0.63 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1a7m h ALA 78 CO -0.49 0.97 0.09 0.87 0.00 0.00 0.00 179.25 180.69 1a7m h LYS 79 N 0.09 0.96 0.08 0.00 1.57 0.12 0.27 116.57 119.65 1a7m h LYS 79 Ca -0.07 -0.26 -0.22 0.00 -1.87 0.00 0.00 60.65 58.23 1a7m h LYS 79 Cb 1.71 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.90 1a7m h LYS 79 CO 0.16 0.92 -1.14 -0.07 -0.57 0.00 0.00 179.45 178.75 1a7m h LEU 80 N 0.86 0.25 -0.64 2.94 4.07 -0.43 -2.38 115.31 119.97 1a7m h LEU 80 Ca 0.17 -0.81 -0.11 0.00 0.08 0.00 0.00 57.88 57.21 1a7m h LEU 80 Cb 0.42 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 1a7m h LEU 80 CO 0.01 1.49 -0.14 0.58 -1.08 0.00 0.00 178.44 179.30 1a7m h VAL 81 N -0.55 1.27 -0.35 1.22 2.07 -0.57 0.54 116.25 119.87 1a7m h VAL 81 Ca -0.26 -1.27 -0.15 0.00 0.82 0.00 0.00 66.70 65.84 1a7m h VAL 81 Cb 1.55 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1a7m h VAL 81 CO -0.00 0.44 -0.39 -0.33 0.02 0.00 0.00 177.57 177.31 1a7m h GLU 82 N 0.82 0.85 0.52 1.57 4.39 -0.61 -0.18 114.58 121.94 1a7m h GLU 82 Ca 0.13 -0.44 -0.03 0.00 0.34 0.00 0.00 59.36 59.36 1a7m h GLU 82 Cb 0.68 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1a7m h GLU 82 CO 0.05 1.09 -0.25 1.25 -1.16 0.00 0.00 179.01 179.98 1a7m h LEU 83 N 0.70 -0.59 0.00 1.33 7.12 -1.11 0.23 115.31 122.99 1a7m h LEU 83 Ca 0.06 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.04 1a7m h LEU 83 Cb 0.96 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 1a7m h LEU 83 CO 0.09 -0.34 0.00 0.00 -0.13 0.00 0.00 178.44 178.06 1a7m n TYR 84 N -5.35 0.00 -0.29 1.25 4.19 0.19 0.23 117.16 117.38 1a7m n TYR 84 Ca -0.12 0.00 -0.07 0.00 3.31 0.00 0.00 57.90 61.02 1a7m n TYR 84 Cb 0.31 -0.30 -0.03 0.00 0.49 0.00 0.00 39.34 39.81 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 -0.12 -0.95 2.98 2.43 -1.02 1.37 114.38 119.07 1a7m h ARG 85 Ca 0.00 0.01 0.25 0.00 -0.81 0.00 0.00 59.98 59.43 1a7m h ARG 85 Cb 0.00 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 29.45 1a7m h ARG 85 CO 0.00 -0.08 0.47 1.98 -1.51 0.00 0.00 179.97 180.83 1a7m h MET 86 N -0.13 0.40 0.00 0.20 4.05 0.15 0.53 114.93 120.12 1a7m h MET 86 Ca 0.21 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 1a7m h MET 86 Cb 0.54 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 1a7m h MET 86 CO -0.81 0.26 -0.66 0.28 0.23 0.00 0.00 176.91 176.22 1a7m h VAL 87 N 0.41 0.00 0.00 -5.77 2.07 0.35 -2.25 116.25 111.06 1a7m h VAL 87 Ca 0.63 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1a7m h VAL 87 Cb 1.27 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1a7m h VAL 87 CO -0.55 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 176.96 1a7m h ALA 88 N 2.04 0.00 -0.53 1.67 0.00 0.54 0.49 119.26 123.48 1a7m h ALA 88 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1a7m h ALA 88 Cb 0.98 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1a7m h ALA 88 CO 0.00 0.08 0.24 0.10 0.00 0.00 0.00 179.25 179.67 1a7m h TYR 89 N -0.94 0.42 0.53 0.00 -0.00 -0.32 -2.35 116.97 114.31 1a7m h TYR 89 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 58.73 58.73 1a7m h TYR 89 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 36.73 36.69 1a7m h TYR 89 CO -0.03 0.18 -0.42 1.25 -0.00 0.00 0.00 178.16 179.13 1a7m h LEU 90 N 0.45 -1.11 -0.61 0.10 5.85 -1.49 -1.14 115.31 117.35 1a7m h LEU 90 Ca 0.25 0.08 0.16 0.00 0.84 0.00 0.00 57.88 59.20 1a7m h LEU 90 Cb 0.21 0.35 -0.11 0.00 0.37 0.00 0.00 40.66 41.48 1a7m h LEU 90 CO -0.21 -0.59 -0.03 -1.20 -0.34 0.00 0.00 178.44 176.07 1a7m n SER 91 N -5.00 -0.11 0.01 1.25 7.64 0.17 0.14 113.62 117.72 1a7m n SER 91 Ca -0.11 1.05 -0.13 0.00 1.01 0.00 0.00 58.87 60.69 1a7m n SER 91 Cb 0.40 -0.36 -0.09 0.00 -1.01 0.00 0.00 64.21 63.14 1a7m n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a7m h ALA 92 N 1.23 -0.05 -0.94 -0.43 0.00 -1.16 0.13 119.26 118.04 1a7m h ALA 92 Ca 0.35 -0.22 0.20 0.00 0.00 0.00 0.00 54.91 55.23 1a7m h ALA 92 Cb 0.68 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1a7m h ALA 92 CO -0.59 -0.30 0.61 1.03 0.00 0.00 0.00 179.25 180.00 1a7m h SER 93 N -0.50 0.55 0.02 0.00 0.87 0.24 0.13 113.55 114.86 1a7m h SER 93 Ca -0.00 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1a7m h SER 93 Cb 0.46 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1a7m h SER 93 CO 0.01 0.22 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.44 1a7m h LEU 94 N 0.55 -0.03 -0.30 2.23 4.07 -0.44 -3.16 115.31 118.23 1a7m h LEU 94 Ca 0.50 -0.72 0.07 0.00 0.08 0.00 0.00 57.88 57.81 1a7m h LEU 94 Cb 1.06 0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.73 1a7m h LEU 94 CO -0.24 0.76 -0.15 0.74 -1.08 0.00 0.00 178.44 178.47 1a7m h THR 95 N -0.87 0.54 -0.04 0.22 2.02 0.47 -1.68 112.91 113.57 1a7m h THR 95 Ca -0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1a7m h THR 95 Cb 0.75 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 1a7m h THR 95 CO 0.01 0.00 -0.47 0.78 0.37 0.00 0.00 175.52 176.21 1a7m h ASN 96 N -0.11 -1.46 -0.47 4.18 2.35 -1.14 -1.87 115.58 117.06 1a7m h ASN 96 Ca 0.16 0.17 0.09 0.00 -0.55 0.00 0.00 56.30 56.16 1a7m h ASN 96 Cb 0.34 0.56 -0.08 0.00 0.05 0.00 0.00 38.32 39.20 1a7m h ASN 96 CO -0.37 -0.44 0.02 -0.29 -1.65 0.00 0.00 177.43 174.69 1a7m h ILE 97 N -0.56 0.65 -0.67 2.81 2.10 -1.48 -1.01 117.51 119.35 1a7m h ILE 97 Ca 0.02 -0.05 0.12 0.00 1.08 0.00 0.00 64.86 66.03 1a7m h ILE 97 Cb 0.62 0.51 -0.12 0.00 -1.09 0.00 0.00 36.82 36.73 1a7m h ILE 97 CO -0.33 0.02 -0.20 0.41 -1.08 0.00 0.00 178.15 176.97 1a7m n THR 98 N -5.20 -0.31 0.26 2.19 -1.04 -0.65 0.11 114.28 109.65 1a7m n THR 98 Ca 0.05 1.55 -0.11 0.00 -2.04 0.00 0.00 64.05 63.49 1a7m n THR 98 Cb 0.25 -2.11 -0.05 0.00 -1.82 0.00 0.00 70.33 66.60 1a7m n THR 98 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1a7m h ARG 99 N 0.00 -0.68 0.00 -2.82 9.65 -0.93 -0.72 114.38 118.88 1a7m h ARG 99 Ca 0.29 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.22 1a7m h ARG 99 Cb 0.46 0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1a7m h ARG 99 CO -0.68 -0.45 0.08 -0.44 2.80 0.00 0.00 179.97 181.28 1a7m h ASP 100 N -0.70 0.00 0.02 -3.80 5.19 0.13 -2.26 116.42 114.99 1a7m h ASP 100 Ca -0.07 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1a7m h ASP 100 Cb 0.55 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1a7m h ASP 100 CO 0.09 0.00 -0.01 1.56 -3.12 0.00 0.00 179.24 177.76 1a7m h GLN 101 N 0.00 -0.02 -0.29 3.56 1.08 0.14 0.48 115.11 120.05 1a7m h GLN 101 Ca 0.00 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.29 1a7m h GLN 101 Cb 0.17 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1a7m h GLN 101 CO 0.00 0.63 0.26 1.57 -0.95 0.00 0.00 178.83 180.35 1a7m h LYS 102 N -0.97 0.00 0.13 1.46 2.10 -0.76 0.17 116.57 118.70 1a7m h LYS 102 Ca -0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.30 1a7m h LYS 102 Cb 0.66 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.98 1a7m h LYS 102 CO 0.00 0.00 -1.83 0.28 -2.00 0.00 0.00 179.45 175.91 1a7m h VAL 103 N 0.00 0.77 -0.54 0.07 2.07 -1.43 -3.39 116.25 113.79 1a7m h VAL 103 Ca 0.14 -2.38 -0.03 0.00 0.82 0.00 0.00 66.70 65.25 1a7m h VAL 103 Cb 0.67 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 1a7m h VAL 103 CO -0.00 0.84 0.24 0.25 0.02 0.00 0.00 177.57 178.92 1a7m h LEU 104 N -0.03 0.73 -7.93 2.57 5.85 0.19 -3.46 115.31 113.24 1a7m h LEU 104 Ca -0.39 -0.15 -0.16 0.00 0.84 0.00 0.00 57.88 58.02 1a7m h LEU 104 Cb 1.98 -0.19 -0.21 0.00 0.37 0.00 0.00 40.66 42.61 1a7m h LEU 104 CO 0.09 0.68 -0.65 0.20 -0.34 0.00 0.00 178.44 178.41 1a7m s ASN 105 N -5.98 0.19 0.58 1.25 0.01 0.41 -5.00 114.94 106.40 1a7m s ASN 105 Ca -0.13 -0.43 0.28 0.00 -0.71 0.00 0.00 52.86 51.87 1a7m s ASN 105 Cb 0.12 0.12 1.69 0.00 0.41 0.00 0.00 41.25 43.60 1a7m s ASN 105 CO 0.78 -0.31 2.18 1.55 -1.51 0.00 0.00 177.10 179.78 1a7m h PRO 106 N 4.57 0.00 0.00 -0.60 0.13 -1.87 -0.52 132.00 133.72 1a7m h PRO 106 Ca -0.32 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.42 1a7m h PRO 106 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1a7m h PRO 106 CO 0.41 0.00 -2.47 -1.13 -0.23 0.00 0.00 178.00 174.58 1a7m n SER 107 N -3.92 1.94 -0.31 1.44 3.41 -1.26 -4.21 113.62 110.71 1a7m n SER 107 Ca -0.01 -0.13 0.20 0.00 -0.26 0.00 0.00 58.87 58.66 1a7m n SER 107 Cb 0.19 -0.39 0.47 0.00 -0.26 0.00 0.00 64.21 64.22 1a7m n SER 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a7m h ALA 108 N 0.02 2.10 -1.06 7.33 0.00 -1.60 0.52 119.26 126.58 1a7m h ALA 108 Ca -0.58 0.06 0.42 0.00 0.00 0.00 0.00 54.91 54.80 1a7m h ALA 108 Cb 1.91 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 19.52 1a7m h ALA 108 CO -0.09 -0.47 0.59 -0.24 0.00 0.00 0.00 179.25 179.05 1a7m h VAL 109 N 0.48 0.04 0.00 0.00 3.04 -1.27 1.53 116.25 120.08 1a7m h VAL 109 Ca 0.56 -0.01 -0.12 0.00 -1.01 0.00 0.00 66.70 66.11 1a7m h VAL 109 Cb 1.29 -0.01 0.01 0.00 -2.01 0.00 0.00 31.29 30.58 1a7m h VAL 109 CO -0.29 0.01 -0.48 0.28 -1.01 0.00 0.00 177.57 176.07 1a7m h SER 110 N 0.04 0.42 -0.48 3.17 0.02 -0.22 -2.70 113.55 113.81 1a7m h SER 110 Ca 0.84 -0.77 0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1a7m h SER 110 Cb 2.26 -0.13 -0.09 0.00 0.14 0.00 0.00 62.40 64.58 1a7m h SER 110 CO -0.70 1.14 -0.56 0.25 -1.14 0.00 0.00 176.83 175.82 1a7m h LEU 111 N -0.26 -1.89 -0.66 5.07 6.46 0.23 0.14 115.31 124.40 1a7m h LEU 111 Ca -0.06 0.25 0.14 0.00 -0.12 0.00 0.00 57.88 58.09 1a7m h LEU 111 Cb 1.22 0.78 -0.11 0.00 -0.73 0.00 0.00 40.66 41.82 1a7m h LEU 111 CO 0.09 -0.38 0.07 1.12 -0.62 0.00 0.00 178.44 178.73 1a7m h HIS 112 N -0.35 0.08 -0.86 1.25 2.07 -0.84 -0.74 115.15 115.76 1a7m h HIS 112 Ca 0.08 0.04 0.18 0.00 -2.85 0.00 0.00 60.37 57.82 1a7m h HIS 112 Cb 0.57 0.07 -0.16 0.00 2.57 0.00 0.00 27.41 30.45 1a7m h HIS 112 CO -0.77 -0.13 -0.20 0.77 -3.07 0.00 0.00 177.93 174.53 1a7m h SER 113 N 0.18 -0.78 0.70 3.10 0.02 -0.38 0.16 113.55 116.55 1a7m h SER 113 Ca 0.36 0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 61.53 1a7m h SER 113 Cb 0.59 0.53 0.01 0.00 0.14 0.00 0.00 62.40 63.66 1a7m h SER 113 CO -0.52 -0.28 -0.34 0.11 -1.14 0.00 0.00 176.83 174.66 1a7m h LYS 114 N 0.00 -0.91 -1.00 3.45 1.57 -0.82 -2.62 116.57 116.25 1a7m h LYS 114 Ca 0.42 0.06 0.20 0.00 -1.87 0.00 0.00 60.65 59.46 1a7m h LYS 114 Cb 0.65 0.21 -0.19 0.00 0.08 0.00 0.00 32.23 32.98 1a7m h LYS 114 CO -0.88 -0.60 -0.26 -0.07 -0.57 0.00 0.00 179.45 177.08 1a7m h LEU 115 N -0.99 -0.95 -0.41 2.94 -0.00 -0.38 0.45 115.31 115.97 1a7m h LEU 115 Ca -0.10 0.30 0.07 0.00 -0.00 0.00 0.00 57.88 58.15 1a7m h LEU 115 Cb 0.74 0.63 -0.09 0.00 -0.00 0.00 0.00 40.66 41.93 1a7m h LEU 115 CO 0.16 -0.33 -0.44 0.78 -0.00 0.00 0.00 178.44 178.62 1a7m h ASN 116 N -0.00 -1.45 0.48 -0.43 4.21 -0.44 0.18 115.58 118.13 1a7m h ASN 116 Ca 0.47 0.22 -0.01 0.00 1.21 0.00 0.00 56.30 58.19 1a7m h ASN 116 Cb 0.72 0.63 -0.01 0.00 -1.12 0.00 0.00 38.32 38.54 1a7m h ASN 116 CO -1.02 -0.37 -0.38 0.00 -1.29 0.00 0.00 177.43 174.37 1a7m h ALA 117 N 0.40 -0.88 -1.01 -0.83 0.00 0.07 -2.52 119.26 114.49 1a7m h ALA 117 Ca 0.13 -0.16 0.27 0.00 0.00 0.00 0.00 54.91 55.16 1a7m h ALA 117 Cb 0.58 0.51 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 1a7m h ALA 117 CO -0.58 -1.02 0.60 1.79 0.00 0.00 0.00 179.25 180.04 1a7m h THR 118 N -0.85 0.47 0.15 0.00 1.35 -0.39 -0.30 112.91 113.34 1a7m h THR 118 Ca -0.05 -0.17 -0.01 0.00 -0.55 0.00 0.00 66.41 65.63 1a7m h THR 118 Cb 0.72 -0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1a7m h THR 118 CO -0.00 0.09 -0.07 0.40 -0.25 0.00 0.00 175.52 175.69 1a7m h ILE 119 N 0.50 0.00 -0.45 6.82 2.04 -0.39 -2.25 117.51 123.78 1a7m h ILE 119 Ca 0.67 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 66.55 1a7m h ILE 119 Cb 1.38 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1a7m h ILE 119 CO -0.50 0.00 0.13 0.44 0.00 0.00 0.00 178.15 178.21 1a7m h ASP 120 N -0.24 0.09 -0.88 1.72 3.32 -1.17 0.22 116.42 119.48 1a7m h ASP 120 Ca -0.02 0.07 0.19 0.00 0.02 0.00 0.00 57.03 57.28 1a7m h ASP 120 Cb 0.15 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.71 1a7m h ASP 120 CO 0.03 0.08 0.58 1.62 -1.72 0.00 0.00 179.24 179.83 1a7m h VAL 121 N 0.28 0.72 0.00 -1.35 3.04 -1.15 0.32 116.25 118.09 1a7m h VAL 121 Ca 0.22 -0.16 -0.03 0.00 -1.01 0.00 0.00 66.70 65.72 1a7m h VAL 121 Cb 0.25 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 29.76 1a7m h VAL 121 CO -0.26 0.08 -0.13 0.24 -1.01 0.00 0.00 177.57 176.49 1a7m h MET 122 N 0.45 0.09 -1.05 4.17 2.86 -0.15 -2.77 114.93 118.54 1a7m h MET 122 Ca 0.45 -0.10 0.28 0.00 -2.06 0.00 0.00 59.70 58.27 1a7m h MET 122 Cb 1.05 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.66 1a7m h MET 122 CO -0.18 0.86 0.69 0.00 1.06 0.00 0.00 176.91 179.35 1a7m h ARG 123 N -0.64 0.30 0.20 1.72 3.08 0.94 0.49 114.38 120.46 1a7m h ARG 123 Ca -0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1a7m h ARG 123 Cb 0.91 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1a7m h ARG 123 CO 0.03 0.20 -0.10 0.78 -1.07 0.00 0.00 179.97 179.81 1a7m h GLY 124 N 0.31 -0.28 0.25 0.04 0.00 -0.97 0.61 103.07 103.02 1a7m h GLY 124 Ca 0.58 0.11 0.06 0.00 0.00 0.00 0.00 47.33 48.07 1a7m h GLY 124 CO -0.23 -0.10 -0.16 0.17 0.00 0.00 0.00 176.54 176.22 1a7m h LEU 125 N -0.56 -0.53 -0.24 3.11 8.10 0.09 0.16 115.31 125.43 1a7m h LEU 125 Ca -0.03 0.12 0.05 0.00 0.11 0.00 0.00 57.88 58.13 1a7m h LEU 125 Cb 0.42 0.28 -0.08 0.00 -0.44 0.00 0.00 40.66 40.84 1a7m h LEU 125 CO 0.05 -0.20 -0.43 -0.07 -4.11 0.00 0.00 178.44 173.68 1a7m h LEU 126 N -0.13 -1.38 -0.59 0.17 3.38 -0.40 0.50 115.31 116.87 1a7m h LEU 126 Ca 0.15 0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.43 1a7m h LEU 126 Cb 0.36 0.58 -0.12 0.00 0.09 0.00 0.00 40.66 41.57 1a7m h LEU 126 CO -0.36 -0.40 -0.26 0.28 0.09 0.00 0.00 178.44 177.79 1a7m h SER 127 N -0.43 -0.89 -0.76 -0.43 0.02 0.36 0.90 113.55 112.32 1a7m h SER 127 Ca 0.10 0.21 0.11 0.00 -0.84 0.00 0.00 61.79 61.37 1a7m h SER 127 Cb 0.61 0.49 -0.08 0.00 0.14 0.00 0.00 62.40 63.56 1a7m h SER 127 CO -0.47 -0.27 0.38 0.78 -1.14 0.00 0.00 176.83 176.11 1a7m h ASN 128 N -0.10 0.48 0.79 3.07 2.35 0.18 0.70 115.58 123.05 1a7m h ASN 128 Ca 0.26 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 56.05 1a7m h ASN 128 Cb 0.52 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.89 1a7m h ASN 128 CO -0.66 0.25 -0.38 0.58 -1.65 0.00 0.00 177.43 175.57 1a7m h VAL 129 N 0.61 0.00 0.00 2.81 2.07 0.53 -1.89 116.25 120.37 1a7m h VAL 129 Ca 0.39 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1a7m h VAL 129 Cb 0.47 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1a7m h VAL 129 CO -0.31 0.00 0.23 -0.07 0.02 0.00 0.00 177.57 177.44 1a7m h LEU 130 N -1.20 0.00 0.20 2.57 -0.00 0.37 0.60 115.31 117.85 1a7m h LEU 130 Ca -0.11 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.50 1a7m h LEU 130 Cb 0.82 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.50 1a7m h LEU 130 CO 0.18 0.00 -1.21 0.00 -0.00 0.00 0.00 178.44 177.41 1a7m h ARG 132 N -0.11 0.00 -5.57 0.00 9.65 0.25 -3.29 114.38 115.31 1a7m h ARG 132 Ca -0.22 0.00 -0.58 0.00 -1.10 0.00 0.00 59.98 58.08 1a7m h ARG 132 Cb 1.92 0.00 -0.31 0.00 -1.39 0.00 0.00 29.97 30.19 1a7m h ARG 132 CO 0.20 0.33 -0.85 -0.48 2.80 0.00 0.00 179.97 181.98 1a7m s LEU 133 N -8.44 1.97 0.00 3.80 0.05 0.17 -4.71 118.68 111.53 1a7m s LEU 133 Ca -0.06 -0.37 0.00 0.00 0.05 0.00 0.00 54.13 53.74 1a7m s LEU 133 Cb -0.01 -1.03 0.00 0.00 -2.05 0.00 0.00 46.19 43.10 1a7m s LEU 133 CO 0.23 0.19 0.00 0.00 -0.55 0.00 0.00 176.35 176.22 1a7m n ASN 135 N -0.31 1.63 -2.74 0.00 2.85 -1.22 -4.22 115.26 111.26 1a7m n ASN 135 Ca 0.00 0.28 -0.05 0.00 -0.11 0.00 0.00 54.58 54.70 1a7m n ASN 135 Cb 0.00 -0.68 0.04 0.00 1.24 0.00 0.00 39.78 40.38 1a7m n ASN 135 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1a7m n LYS 136 N -4.05 1.39 0.00 1.20 5.02 -1.26 -4.87 118.16 115.59 1a7m n LYS 136 Ca -0.44 -3.35 0.00 0.00 -2.02 0.00 0.00 58.31 52.50 1a7m n LYS 136 Cb 0.81 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 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 -0.29 0.00 -2.60 2.13 4.01 -1.26 -4.46 117.16 114.69 1a7m n TYR 137 Ca 0.08 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.51 1a7m n TYR 137 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.84 1a7m n TYR 137 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1a7m n ARG 138 N 0.00 3.60 0.00 -0.72 1.85 -1.26 -4.43 116.66 115.70 1a7m n ARG 138 Ca 0.00 -4.53 0.00 0.00 -1.00 0.00 0.00 57.85 52.32 1a7m n ARG 138 Cb 0.00 -2.29 0.00 0.00 -1.05 0.00 0.00 32.46 29.12 1a7m n ARG 138 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1a7m n VAL 139 N -0.33 0.00 0.00 8.89 3.14 -1.26 -5.06 118.33 123.70 1a7m n VAL 139 Ca 0.39 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.77 1a7m n VAL 139 Cb 0.43 -1.18 0.00 0.00 -1.06 0.00 0.00 33.84 32.03 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 2.79 3.58 3.04 7.55 0.00 -1.26 -5.04 105.19 115.85 1a7m n GLY 140 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 1a7m n GLY 140 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1a7m s HIS 141 N 0.00 0.59 -0.20 1.61 -3.43 -1.26 -3.77 115.29 108.82 1a7m s HIS 141 Ca 0.00 -0.48 -0.16 0.00 -0.80 0.00 0.00 55.06 53.63 1a7m s HIS 141 Cb 0.00 -0.36 -0.19 0.00 -1.43 0.00 0.00 32.58 30.60 1a7m s HIS 141 CO 0.00 -0.10 0.12 1.55 -2.00 0.00 0.00 174.74 174.32 1a7m n VAL 142 N 1.58 1.59 -0.33 -5.38 3.14 -1.26 -3.39 118.33 114.28 1a7m n VAL 142 Ca -0.22 -0.26 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 1a7m n VAL 142 Cb 0.55 -1.91 0.00 0.00 -1.06 0.00 0.00 33.84 31.42 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 -4.13 -2.60 -3.25 6.55 8.00 -1.26 -4.74 116.55 115.13 1a7m n ASP 143 Ca -0.37 0.11 -0.25 0.00 0.71 0.00 0.00 54.79 55.00 1a7m n ASP 143 Cb 0.82 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.67 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 -0.21 0.89 -1.86 2.53 0.31 -1.26 -4.93 118.33 113.81 1a7m n VAL 144 Ca 0.00 -4.69 -0.42 0.00 -0.01 0.00 0.00 64.34 59.22 1a7m n VAL 144 Cb 0.00 -1.76 -0.03 0.00 -0.91 0.00 0.00 33.84 31.15 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 -2.05 3.12 0.37 5.55 0.04 -1.26 -4.95 135.00 135.83 1a7m s PRO 145 Ca 0.39 1.53 -0.22 0.00 0.04 0.00 0.00 61.00 62.74 1a7m s PRO 145 Cb 0.19 -4.29 -0.10 0.00 0.04 0.00 0.00 34.50 30.34 1a7m s PRO 145 CO -0.07 -2.11 0.91 -1.25 0.04 0.00 0.00 177.00 174.52 1a7m s PRO 146 N 6.17 4.31 -0.50 0.56 0.04 -1.26 -5.05 135.00 139.27 1a7m s PRO 146 Ca 0.86 1.11 0.05 0.00 0.04 0.00 0.00 61.00 63.06 1a7m s PRO 146 Cb -0.24 -2.44 0.19 0.00 0.04 0.00 0.00 34.50 32.05 1a7m s PRO 146 CO 0.32 0.11 0.44 0.28 0.04 0.00 0.00 177.00 178.19 1a7m n VAL 147 N -0.17 -0.17 -2.33 -0.36 0.31 -1.26 -5.04 118.33 109.31 1a7m n VAL 147 Ca 0.05 -4.01 -0.42 0.00 -0.01 0.00 0.00 64.34 59.95 1a7m n VAL 147 Cb 0.53 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 1a7m n VAL 147 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1a7m n PRO 148 N 2.25 3.78 -3.37 5.55 -0.04 -1.26 -4.83 135.00 137.08 1a7m n PRO 148 Ca 0.26 -3.57 -0.35 0.00 -0.04 0.00 0.00 63.50 59.80 1a7m n PRO 148 Cb 0.45 -2.87 -0.05 0.00 -0.04 0.00 0.00 33.50 31.00 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 3.46 4.75 -2.31 3.54 8.00 -1.26 -4.85 116.55 127.87 1a7m n ASP 149 Ca 0.42 -3.33 -0.34 0.00 0.71 0.00 0.00 54.79 52.25 1a7m n ASP 149 Cb 0.35 -0.99 0.08 0.00 -0.02 0.00 0.00 41.12 40.54 1a7m n ASP 149 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1a7m n HIS 150 N 1.51 3.22 -0.55 1.24 8.25 -1.26 -4.72 115.22 122.91 1a7m n HIS 150 Ca 0.26 -2.97 -0.16 0.00 -0.26 0.00 0.00 57.72 54.59 1a7m n HIS 150 Cb 0.37 -1.41 0.07 0.00 1.12 0.00 0.00 29.99 30.15 1a7m n HIS 150 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1a7m n SER 151 N -0.92 4.92 0.04 0.41 3.41 -1.26 -4.27 113.62 115.95 1a7m n SER 151 Ca 0.62 -3.00 0.01 0.00 -0.26 0.00 0.00 58.87 56.25 1a7m n SER 151 Cb 0.71 -0.86 -0.07 0.00 -0.26 0.00 0.00 64.21 63.73 1a7m n SER 151 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1a7m h ASP 152 N 1.01 0.00 -3.65 4.04 3.04 -2.03 -3.45 116.42 115.38 1a7m h ASP 152 Ca 0.33 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.88 1a7m h ASP 152 Cb 1.48 0.00 -0.30 0.00 -1.04 0.00 0.00 39.33 39.47 1a7m h ASP 152 CO 0.72 0.52 -0.69 -0.54 -2.04 0.00 0.00 179.24 177.21 1a7m s LYS 153 N -2.97 0.02 -0.08 4.15 1.02 -1.26 -5.09 119.74 115.53 1a7m s LYS 153 Ca -0.02 0.12 -0.06 0.00 0.02 0.00 0.00 55.97 56.03 1a7m s LYS 153 Cb 0.09 -0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.30 1a7m s LYS 153 CO 0.81 -0.07 -0.11 -0.85 -0.92 0.00 0.00 175.35 174.20 1a7m n GLU 154 N 3.50 0.26 0.17 1.68 -0.00 -1.26 -2.31 120.64 122.69 1a7m n GLU 154 Ca -0.18 0.37 0.12 0.00 -0.00 0.00 0.00 57.16 57.47 1a7m n GLU 154 Cb 0.56 -1.26 0.61 0.00 -0.00 0.00 0.00 31.44 31.36 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 -0.57 0.00 0.00 3.84 -1.51 -2.00 -2.02 116.25 113.99 1a7m h VAL 155 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1a7m h VAL 155 Cb 0.33 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 1a7m h VAL 155 CO 0.00 0.00 -0.02 -0.26 -1.23 0.00 0.00 177.57 176.06 1a7m h PHE 156 N 0.00 0.00 -1.10 5.19 -1.00 -1.95 -3.40 116.94 114.68 1a7m h PHE 156 Ca 0.00 0.00 0.35 0.00 2.81 0.00 0.00 57.97 61.13 1a7m h PHE 156 Cb 0.13 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 39.56 1a7m h PHE 156 CO 0.00 0.00 0.66 -0.56 -1.61 0.00 0.00 178.31 176.80 1a7m h GLN 157 N -0.06 0.25 0.00 1.51 -0.00 -1.16 0.37 115.11 116.01 1a7m h GLN 157 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1a7m h GLN 157 Cb 0.02 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.45 1a7m h GLN 157 CO 0.00 0.16 0.03 1.17 -0.00 0.00 0.00 178.83 180.20 1a7m n LYS 158 N -4.89 0.05 0.00 0.06 4.81 -0.78 0.16 118.16 117.56 1a7m n LYS 158 Ca 0.32 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 1a7m n LYS 158 Cb 1.10 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 34.47 1a7m n LYS 158 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1a7m n LYS 159 N -1.75 0.70 0.00 1.64 5.02 0.95 -4.67 118.16 120.05 1a7m n LYS 159 Ca -0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 1a7m n LYS 159 Cb 0.04 -0.94 0.64 0.00 -0.02 0.00 0.00 35.03 34.76 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 -2.26 0.25 -0.57 1.97 4.81 0.82 -4.12 118.16 119.06 1a7m n LYS 160 Ca 0.00 -0.03 0.45 0.00 -0.87 0.00 0.00 58.31 57.86 1a7m n LYS 160 Cb 0.44 -1.50 0.71 0.00 0.02 0.00 0.00 35.03 34.70 1a7m n LYS 160 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1a7m n LEU 161 N -1.35 0.09 -0.03 3.14 0.00 0.42 0.18 117.00 119.44 1a7m n LEU 161 Ca 0.11 1.10 0.04 0.00 0.00 0.00 0.00 56.01 57.26 1a7m n LEU 161 Cb 0.30 -0.55 -0.15 0.00 0.00 0.00 0.00 43.42 43.02 1a7m n LEU 161 CO 0.26 -1.16 -0.84 0.61 0.00 0.00 0.00 177.39 176.26 1a7m n GLY 162 N -1.69 -0.88 0.08 -3.96 0.00 -1.26 -4.35 105.19 93.12 1a7m n GLY 162 Ca 0.40 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.27 0.00 0.00 0.00 4.20 -1.32 0.66 115.11 118.37 1a7m h GLN 164 Ca 0.01 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.47 1a7m h GLN 164 Cb 0.44 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.24 1a7m h GLN 164 CO 0.01 0.00 -1.02 -0.07 -0.67 0.00 0.00 178.83 177.08 1a7m h LEU 165 N 0.00 0.80 -0.76 1.46 3.38 -1.59 -2.51 115.31 116.08 1a7m h LEU 165 Ca 0.05 -0.64 -0.08 0.00 0.09 0.00 0.00 57.88 57.30 1a7m h LEU 165 Cb 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1a7m h LEU 165 CO -0.00 1.44 0.02 -0.07 0.09 0.00 0.00 178.44 179.92 1a7m h LEU 166 N 0.34 0.93 -0.11 1.67 -0.00 0.63 0.67 115.31 119.45 1a7m h LEU 166 Ca -0.12 -0.24 0.04 0.00 -0.00 0.00 0.00 57.88 57.56 1a7m h LEU 166 Cb 1.67 -0.25 -0.06 0.00 -0.00 0.00 0.00 40.66 42.01 1a7m h LEU 166 CO 0.19 0.98 -0.42 1.23 -0.00 0.00 0.00 178.44 180.43 1a7m h GLY 167 N 1.00 -0.71 0.18 0.83 0.00 -0.31 0.41 103.07 104.47 1a7m h GLY 167 Ca 0.17 0.51 -0.01 0.00 0.00 0.00 0.00 47.33 48.00 1a7m h GLY 167 CO 0.02 -0.23 -0.09 -0.91 0.00 0.00 0.00 176.54 175.34 1a7m h THR 168 N -0.50 0.00 -0.53 4.70 1.35 -0.92 -3.07 112.91 113.93 1a7m h THR 168 Ca 0.07 -0.01 0.05 0.00 -0.55 0.00 0.00 66.41 65.97 1a7m h THR 168 Cb 0.63 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 66.98 1a7m h THR 168 CO -0.38 0.00 -0.31 0.00 -0.25 0.00 0.00 175.52 174.58 1a7m n TYR 169 N -2.68 -0.23 -0.33 4.73 9.36 0.23 0.14 117.16 128.38 1a7m n TYR 169 Ca -0.03 0.66 0.11 0.00 3.32 0.00 0.00 57.90 61.96 1a7m n TYR 169 Cb 0.10 -0.52 0.29 0.00 -0.63 0.00 0.00 39.34 38.58 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 0.67 0.03 2.98 3.11 -0.21 0.71 116.57 123.87 1a7m h LYS 170 Ca 0.08 -0.04 -0.25 0.00 -2.81 0.00 0.00 60.65 57.63 1a7m h LYS 170 Cb 0.22 -0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 31.27 1a7m h LYS 170 CO -0.50 0.45 -1.29 0.37 -2.81 0.00 0.00 179.45 175.67 1a7m h GLN 171 N 0.69 0.06 0.09 1.90 5.75 0.13 -2.52 115.11 121.23 1a7m h GLN 171 Ca 0.55 -0.11 -0.14 0.00 -0.15 0.00 0.00 58.65 58.80 1a7m h GLN 171 Cb 0.84 0.04 0.02 0.00 1.07 0.00 0.00 27.48 29.45 1a7m h GLN 171 CO -0.39 0.91 -0.61 -0.39 -2.65 0.00 0.00 178.83 175.70 1a7m h VAL 172 N 0.02 1.56 -0.34 2.39 -1.51 0.18 -3.25 116.25 115.29 1a7m h VAL 172 Ca -0.13 -2.42 0.07 0.00 -1.23 0.00 0.00 66.70 62.99 1a7m h VAL 172 Cb 1.89 3.16 -0.08 0.00 -2.13 0.00 0.00 31.29 34.13 1a7m h VAL 172 CO 0.13 0.68 -0.16 0.40 -1.23 0.00 0.00 177.57 177.38 1a7m h ILE 173 N -0.47 0.51 0.00 7.19 1.08 0.30 0.45 117.51 126.57 1a7m h ILE 173 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1a7m h ILE 173 Cb 1.45 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 1a7m h ILE 173 CO 0.12 0.00 0.09 -1.54 -0.69 0.00 0.00 178.15 176.12 1a7m n SER 174 N -5.34 0.00 -0.06 1.72 3.41 -0.95 0.18 113.62 112.59 1a7m n SER 174 Ca 0.01 0.37 -0.06 0.00 -0.26 0.00 0.00 58.87 58.93 1a7m n SER 174 Cb 0.25 -0.37 -0.09 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.36 0.81 -0.00 -3.33 0.31 0.12 -4.21 118.33 110.67 1a7m n VAL 175 Ca 0.00 -0.50 -0.16 0.00 -0.01 0.00 0.00 64.34 63.67 1a7m n VAL 175 Cb 0.09 -0.67 -0.14 0.00 -0.91 0.00 0.00 33.84 32.20 1a7m n VAL 175 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1a7m n VAL 176 N -2.44 1.71 0.28 2.52 0.24 0.85 -2.38 118.33 119.12 1a7m n VAL 176 Ca -0.19 -0.72 0.14 0.00 -2.04 0.00 0.00 64.34 61.52 1a7m n VAL 176 Cb 0.88 -1.43 0.83 0.00 -1.47 0.00 0.00 33.84 32.65 1a7m n VAL 176 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 1a7m h VAL 177 N 0.04 0.56 -0.34 3.34 3.04 -0.49 0.39 116.25 122.78 1a7m h VAL 177 Ca -0.36 -0.24 -0.14 0.00 -1.01 0.00 0.00 66.70 64.95 1a7m h VAL 177 Cb 2.03 1.15 -0.08 0.00 -2.01 0.00 0.00 31.29 32.38 1a7m h VAL 177 CO 0.09 0.05 -0.02 0.00 -1.01 0.00 0.00 177.57 176.68 1a7m n GLN 178 N -3.78 2.16 -0.09 4.17 1.13 -1.23 -4.31 117.38 115.42 1a7m n GLN 178 Ca -0.02 -3.06 -0.14 0.00 -1.94 0.00 0.00 57.00 51.83 1a7m n GLN 178 Cb 0.15 -1.83 -0.08 0.00 0.11 0.00 0.00 30.24 28.58 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 -0.96 1.62 -0.52 -1.58 0.00 0.13 -4.95 120.51 114.26 1a7m n ALA 179 Ca 0.30 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1a7m n ALA 179 Cb 1.01 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.57 1a7m n ALA 179 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47