#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pa7 s ALA 2 N 0.00 2.43 -0.21 3.04 0.00 0.04 -5.01 121.76 122.05 1pa7 s ALA 2 Ca 0.00 0.27 -0.27 0.00 0.00 0.00 0.00 51.96 51.96 1pa7 s ALA 2 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1pa7 s ALA 2 CO 0.00 -1.49 0.95 0.08 0.00 0.00 0.00 175.76 175.31 1pa7 s VAL 3 N -2.82 4.76 0.36 0.00 1.01 -1.26 -4.88 120.40 117.58 1pa7 s VAL 3 Ca 0.61 1.86 -0.16 0.00 0.00 0.00 0.00 61.98 64.30 1pa7 s VAL 3 Cb -0.17 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 31.89 1pa7 s VAL 3 CO 0.52 -0.10 0.79 0.20 0.00 0.00 0.00 175.10 176.51 1pa7 s ASN 4 N 1.22 6.76 -0.11 3.32 0.01 -1.26 -4.84 114.94 120.04 1pa7 s ASN 4 Ca 0.41 1.35 0.02 0.00 -0.71 0.00 0.00 52.86 53.94 1pa7 s ASN 4 Cb -0.16 -2.40 0.01 0.00 0.41 0.00 0.00 41.25 39.11 1pa7 s ASN 4 CO 0.09 -0.28 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.53 1pa7 s VAL 5 N -2.11 1.64 0.38 1.60 1.01 -1.26 -5.06 120.40 116.60 1pa7 s VAL 5 Ca 0.55 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1pa7 s VAL 5 Cb -0.10 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 1pa7 s VAL 5 CO 0.19 0.47 0.07 -0.31 0.00 0.00 0.00 175.10 175.52 1pa7 s TYR 6 N 0.86 2.56 0.56 5.22 2.02 -1.26 -4.94 117.35 122.36 1pa7 s TYR 6 Ca -0.09 -0.55 0.26 0.00 -0.37 0.00 0.00 57.07 56.33 1pa7 s TYR 6 Cb -0.15 -1.74 1.67 0.00 -0.40 0.00 0.00 41.96 41.33 1pa7 s TYR 6 CO -0.00 0.36 2.22 0.77 -1.57 0.00 0.00 175.55 177.33 1pa7 h SER 7 N 1.66 0.00 0.54 2.29 0.02 -2.04 -1.49 113.55 114.52 1pa7 h SER 7 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1pa7 h SER 7 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1pa7 h SER 7 CO 0.72 0.01 -0.28 0.35 -1.14 0.00 0.00 176.83 176.49 1pa7 n THR 8 N -3.99 0.00 -1.98 -2.27 -2.24 -1.26 -4.89 114.28 97.65 1pa7 n THR 8 Ca -0.03 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.33 1pa7 n THR 8 Cb 0.10 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1pa7 n THR 8 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1pa7 s SER 9 N -2.82 6.09 -0.24 3.42 0.01 -0.56 -4.98 113.70 114.62 1pa7 s SER 9 Ca 0.17 2.71 -0.24 0.00 1.31 0.00 0.00 55.95 59.90 1pa7 s SER 9 Cb 0.19 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 1pa7 s SER 9 CO 0.59 -1.01 0.80 -0.69 0.41 0.00 0.00 173.24 173.35 1pa7 s VAL 10 N -1.27 4.86 0.27 3.43 1.01 -1.26 -4.92 120.40 122.52 1pa7 s VAL 10 Ca 0.60 1.51 0.02 0.00 0.00 0.00 0.00 61.98 64.11 1pa7 s VAL 10 Cb -0.39 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 1pa7 s VAL 10 CO 0.50 -0.05 0.10 0.42 0.00 0.00 0.00 175.10 176.06 1pa7 s THR 11 N 2.74 0.63 1.02 3.92 -4.23 -1.26 -5.14 115.64 113.32 1pa7 s THR 11 Ca 0.34 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.74 1pa7 s THR 11 Cb -0.15 -2.65 0.20 0.00 1.34 0.00 0.00 72.50 71.24 1pa7 s THR 11 CO 0.08 0.00 1.08 -1.20 -0.54 0.00 0.00 174.62 174.03 1pa7 n SER 12 N -0.54 -0.49 -4.74 3.99 7.64 -1.26 -4.97 113.62 113.25 1pa7 n SER 12 Ca -0.00 0.20 -0.36 0.00 1.01 0.00 0.00 58.87 59.72 1pa7 n SER 12 Cb 0.66 -1.39 0.06 0.00 -1.01 0.00 0.00 64.21 62.53 1pa7 n SER 12 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1pa7 s ASP 13 N -2.53 4.75 0.60 6.43 -0.00 -1.26 -4.98 116.67 119.68 1pa7 s ASP 13 Ca 0.67 2.42 -0.19 0.00 -0.00 0.00 0.00 52.55 55.45 1pa7 s ASP 13 Cb -0.24 -2.60 -0.04 0.00 -0.00 0.00 0.00 42.92 40.04 1pa7 s ASP 13 CO 0.61 -1.90 1.06 0.59 -0.00 0.00 0.00 175.17 175.53 1pa7 n ASN 14 N -2.04 1.19 -4.89 0.27 4.13 -1.26 -5.01 115.26 107.64 1pa7 n ASN 14 Ca 0.14 0.83 -0.31 0.00 1.68 0.00 0.00 54.58 56.92 1pa7 n ASN 14 Cb 0.50 -1.44 -0.05 0.00 -1.54 0.00 0.00 39.78 37.25 1pa7 n ASN 14 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1pa7 s LEU 15 N -2.55 4.22 0.90 3.41 1.43 -1.26 -5.10 118.68 119.73 1pa7 s LEU 15 Ca 0.77 0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 54.45 1pa7 s LEU 15 Cb -0.41 -3.43 0.13 0.00 0.03 0.00 0.00 46.19 42.51 1pa7 s LEU 15 CO 0.46 -0.01 1.13 -0.94 0.23 0.00 0.00 176.35 177.23 1pa7 s SER 16 N -2.51 3.14 0.18 2.29 1.04 -1.26 -4.80 113.70 111.78 1pa7 s SER 16 Ca 0.43 2.11 -0.14 0.00 0.48 0.00 0.00 55.95 58.83 1pa7 s SER 16 Cb -0.12 -2.55 0.09 0.00 0.10 0.00 0.00 66.02 63.54 1pa7 s SER 16 CO 0.24 -2.95 1.83 -0.09 0.98 0.00 0.00 173.24 173.25 1pa7 h ARG 17 N -1.76 0.66 -0.31 4.02 2.43 -1.98 0.76 114.38 118.18 1pa7 h ARG 17 Ca -0.44 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 58.74 1pa7 h ARG 17 Cb 1.26 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 1pa7 h ARG 17 CO 0.43 0.43 0.06 1.25 -1.51 0.00 0.00 179.97 180.64 1pa7 h HIS 18 N 0.68 0.11 -0.06 2.20 2.76 -1.99 -0.27 115.15 118.57 1pa7 h HIS 18 Ca 0.20 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.26 1pa7 h HIS 18 Cb -0.03 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1pa7 h HIS 18 CO -0.05 0.02 -0.55 -0.44 -1.30 0.00 0.00 177.93 175.61 1pa7 h ASP 19 N 0.18 0.20 -0.26 3.26 3.32 -1.82 -1.20 116.42 120.10 1pa7 h ASP 19 Ca 0.15 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1pa7 h ASP 19 Cb 0.16 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1pa7 h ASP 19 CO -0.19 0.71 -0.01 -0.03 -1.72 0.00 0.00 179.24 177.99 1pa7 h MET 20 N 0.14 0.47 -0.68 3.56 4.05 -0.44 -1.28 114.93 120.74 1pa7 h MET 20 Ca -0.00 -0.16 -0.04 0.00 -0.28 0.00 0.00 59.70 59.23 1pa7 h MET 20 Cb 1.01 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.74 1pa7 h MET 20 CO 0.08 0.64 0.27 -0.07 0.23 0.00 0.00 176.91 178.07 1pa7 h LEU 21 N 0.24 0.91 -0.85 3.39 3.38 -0.91 -1.70 115.31 119.77 1pa7 h LEU 21 Ca 0.07 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1pa7 h LEU 21 Cb 0.44 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1pa7 h LEU 21 CO 0.02 0.82 0.54 0.00 0.09 0.00 0.00 178.44 179.91 1pa7 h ALA 22 N 1.32 1.08 -0.09 1.53 0.00 -1.03 0.73 119.26 122.80 1pa7 h ALA 22 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1pa7 h ALA 22 Cb 0.19 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1pa7 h ALA 22 CO -0.02 0.50 0.03 2.35 0.00 0.00 0.00 179.25 182.11 1pa7 h TRP 23 N 1.15 0.14 0.01 0.00 7.01 -0.75 0.19 115.95 123.70 1pa7 h TRP 23 Ca 0.31 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.31 1pa7 h TRP 23 Cb -0.10 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 1pa7 h TRP 23 CO -0.01 0.30 -0.07 0.82 -2.79 0.00 0.00 178.44 176.69 1pa7 h ILE 24 N -0.06 0.82 -0.43 2.65 2.04 -1.15 -1.57 117.51 119.82 1pa7 h ILE 24 Ca 0.03 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.74 1pa7 h ILE 24 Cb 0.22 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1pa7 h ILE 24 CO -0.00 0.00 -0.32 0.78 0.00 0.00 0.00 178.15 178.61 1pa7 h ASN 25 N -0.13 1.02 0.54 1.72 2.35 -0.74 -1.44 115.58 118.90 1pa7 h ASN 25 Ca 0.03 -0.43 -0.22 0.00 -0.55 0.00 0.00 56.30 55.12 1pa7 h ASN 25 Cb 0.16 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1pa7 h ASN 25 CO -0.07 1.24 -0.96 -0.33 -1.65 0.00 0.00 177.43 175.66 1pa7 h GLU 26 N 0.81 0.26 0.10 0.81 5.08 -0.99 0.25 114.58 120.91 1pa7 h GLU 26 Ca 0.08 -0.31 -0.27 0.00 -1.00 0.00 0.00 59.36 57.87 1pa7 h GLU 26 Cb 0.91 0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.26 1pa7 h GLU 26 CO 0.08 1.04 -1.18 0.77 -1.00 0.00 0.00 179.01 178.73 1pa7 h SER 27 N 0.13 0.47 -0.22 1.42 0.02 -1.20 -3.30 113.55 110.87 1pa7 h SER 27 Ca -0.07 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1pa7 h SER 27 Cb 1.61 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.00 1pa7 h SER 27 CO 0.15 1.34 0.00 0.18 -1.14 0.00 0.00 176.83 177.36 1pa7 n LEU 28 N -3.60 2.71 -3.66 5.07 4.77 -0.55 -4.69 117.00 117.05 1pa7 n LEU 28 Ca -0.08 -1.44 -0.27 0.00 -0.03 0.00 0.00 56.01 54.19 1pa7 n LEU 28 Cb 0.98 -0.14 0.04 0.00 -2.33 0.00 0.00 43.42 41.97 1pa7 n LEU 28 CO 0.54 0.59 -0.08 0.00 -1.33 0.00 0.00 177.39 177.11 1pa7 n GLN 29 N 0.87 -2.27 -4.67 3.23 6.02 -0.04 -4.55 117.38 115.97 1pa7 n GLN 29 Ca 0.12 0.54 -0.31 0.00 -0.01 0.00 0.00 57.00 57.34 1pa7 n GLN 29 Cb 0.43 -4.59 -0.09 0.00 1.02 0.00 0.00 30.24 27.01 1pa7 n GLN 29 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1pa7 s LEU 30 N -6.42 2.56 -0.33 1.08 1.43 -0.53 -4.94 118.68 111.53 1pa7 s LEU 30 Ca 0.33 -1.52 0.17 0.00 -1.03 0.00 0.00 54.13 52.09 1pa7 s LEU 30 Cb -0.11 -0.83 0.46 0.00 0.03 0.00 0.00 46.19 45.74 1pa7 s LEU 30 CO 0.84 -0.69 0.98 -3.20 0.23 0.00 0.00 176.35 174.51 1pa7 n ASN 31 N -1.16 1.82 -4.77 2.29 4.05 -1.26 -4.60 115.26 111.63 1pa7 n ASN 31 Ca -0.13 -2.77 -0.41 0.00 0.45 0.00 0.00 54.58 51.72 1pa7 n ASN 31 Cb 0.67 -0.52 -0.01 0.00 1.23 0.00 0.00 39.78 41.15 1pa7 n ASN 31 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1pa7 s LEU 32 N -3.22 4.37 -0.00 1.20 1.02 -1.26 -4.92 118.68 115.86 1pa7 s LEU 32 Ca 0.29 2.86 0.12 0.00 0.02 0.00 0.00 54.13 57.42 1pa7 s LEU 32 Cb 0.44 -3.65 -0.14 0.00 0.02 0.00 0.00 46.19 42.85 1pa7 s LEU 32 CO 0.01 -0.73 0.43 0.35 0.02 0.00 0.00 176.35 176.43 1pa7 n THR 33 N 0.95 0.00 -3.84 5.49 -2.24 -1.26 -4.99 114.28 108.39 1pa7 n THR 33 Ca 0.02 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 1pa7 n THR 33 Cb 0.40 0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 69.27 1pa7 n THR 33 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1pa7 s LYS 34 N -2.32 -0.00 0.43 -0.78 1.02 -1.26 -5.04 119.74 111.79 1pa7 s LYS 34 Ca 0.02 0.07 0.14 0.00 0.02 0.00 0.00 55.97 56.21 1pa7 s LYS 34 Cb 0.09 -0.07 1.02 0.00 -0.52 0.00 0.00 37.83 38.35 1pa7 s LYS 34 CO 0.49 -0.05 1.96 0.82 -0.92 0.00 0.00 175.35 177.65 1pa7 h ILE 35 N 5.46 0.87 0.00 2.17 1.08 -1.95 -1.83 117.51 123.31 1pa7 h ILE 35 Ca -0.30 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1pa7 h ILE 35 Cb 1.18 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 1pa7 h ILE 35 CO 0.50 0.08 0.00 -1.84 -0.69 0.00 0.00 178.15 176.20 1pa7 n GLU 36 N -4.47 0.16 0.16 2.37 0.00 -1.26 -1.50 120.64 116.10 1pa7 n GLU 36 Ca 0.11 0.45 0.12 0.00 0.00 0.00 0.00 57.16 57.85 1pa7 n GLU 36 Cb 0.42 -1.84 0.58 0.00 0.00 0.00 0.00 31.44 30.59 1pa7 n GLU 36 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1pa7 h GLN 37 N 0.00 0.00 0.00 3.44 4.20 -1.67 -1.66 115.11 119.42 1pa7 h GLN 37 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pa7 h GLN 37 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1pa7 h GLN 37 CO 0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 1pa7 n LEU 38 N -2.34 0.10 0.33 1.46 4.77 -0.56 -3.10 117.00 117.66 1pa7 n LEU 38 Ca 0.00 0.54 0.19 0.00 -0.03 0.00 0.00 56.01 56.71 1pa7 n LEU 38 Cb 0.15 -0.53 1.02 0.00 -2.33 0.00 0.00 43.42 41.73 1pa7 n LEU 38 CO 0.16 -0.43 1.16 0.00 -1.33 0.00 0.00 177.39 176.95 1pa7 h SER 40 N 0.00 0.00 0.00 0.00 4.64 -1.81 -3.39 113.55 112.99 1pa7 h SER 40 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1pa7 h SER 40 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1pa7 h SER 40 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1pa7 n GLY 41 N 0.65 2.49 0.24 -0.77 0.00 -0.82 -4.49 105.19 102.49 1pa7 n GLY 41 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1pa7 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pa7 h ALA 42 N 0.00 0.48 -0.55 4.61 0.00 -1.87 -2.01 119.26 119.93 1pa7 h ALA 42 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1pa7 h ALA 42 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1pa7 h ALA 42 CO 0.00 0.58 0.26 0.00 0.00 0.00 0.00 179.25 180.09 1pa7 h ALA 43 N 0.72 0.71 -0.86 0.00 0.00 -1.90 -1.56 119.26 116.37 1pa7 h ALA 43 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pa7 h ALA 43 Cb 0.98 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1pa7 h ALA 43 CO 0.09 0.28 0.54 1.88 0.00 0.00 0.00 179.25 182.04 1pa7 h TYR 44 N 0.74 1.11 -0.76 0.00 0.05 -1.88 0.11 116.97 116.34 1pa7 h TYR 44 Ca 0.19 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.98 1pa7 h TYR 44 Cb 0.12 -0.37 -0.04 0.00 1.01 0.00 0.00 36.73 37.46 1pa7 h TYR 44 CO -0.00 0.72 0.50 0.00 -1.05 0.00 0.00 178.16 178.33 1pa7 h GLN 46 N 1.03 0.85 -0.54 0.00 4.20 -0.69 -2.41 115.11 117.56 1pa7 h GLN 46 Ca 0.28 -0.42 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 1pa7 h GLN 46 Cb -0.11 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1pa7 h GLN 46 CO -0.06 1.06 0.21 0.74 -0.67 0.00 0.00 178.83 180.11 1pa7 h PHE 47 N 0.70 0.78 -0.76 2.96 0.05 -0.65 -0.44 116.94 119.59 1pa7 h PHE 47 Ca 0.07 -0.04 -0.04 0.00 3.82 0.00 0.00 57.97 61.78 1pa7 h PHE 47 Cb 0.91 -0.24 -0.03 0.00 2.00 0.00 0.00 35.95 38.58 1pa7 h PHE 47 CO 0.05 0.61 0.31 0.52 -0.18 0.00 0.00 178.31 179.62 1pa7 h MET 48 N 0.77 1.13 -0.61 1.51 2.86 -0.94 -0.67 114.93 118.97 1pa7 h MET 48 Ca 0.18 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1pa7 h MET 48 Cb 0.16 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1pa7 h MET 48 CO -0.02 0.92 0.11 0.22 1.06 0.00 0.00 176.91 179.20 1pa7 h ASP 49 N 1.09 0.94 -0.61 1.22 3.58 -0.92 0.13 116.42 121.85 1pa7 h ASP 49 Ca 0.25 -0.20 -0.09 0.00 0.42 0.00 0.00 57.03 57.41 1pa7 h ASP 49 Cb 0.20 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1pa7 h ASP 49 CO -0.02 0.93 0.03 -0.03 -2.88 0.00 0.00 179.24 177.27 1pa7 h MET 50 N 0.93 1.05 -0.14 0.28 4.05 -0.74 -1.11 114.93 119.26 1pa7 h MET 50 Ca 0.19 -0.32 -0.03 0.00 -0.28 0.00 0.00 59.70 59.26 1pa7 h MET 50 Cb 0.39 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1pa7 h MET 50 CO 0.01 1.02 -0.03 -0.07 0.23 0.00 0.00 176.91 178.07 1pa7 h LEU 51 N 0.96 0.26 -6.44 3.39 3.38 -0.94 -3.41 115.31 112.51 1pa7 h LEU 51 Ca 0.18 -0.36 -0.59 0.00 0.09 0.00 0.00 57.88 57.19 1pa7 h LEU 51 Cb 0.53 -0.07 -0.39 0.00 0.09 0.00 0.00 40.66 40.82 1pa7 h LEU 51 CO 0.03 0.56 -0.92 0.49 0.09 0.00 0.00 178.44 178.69 1pa7 n PHE 52 N -4.72 -0.13 -1.67 1.13 3.01 0.02 -4.84 117.46 110.25 1pa7 n PHE 52 Ca -0.06 -3.50 -0.46 0.00 1.01 0.00 0.00 57.45 54.44 1pa7 n PHE 52 Cb 0.25 0.06 -0.04 0.00 -0.01 0.00 0.00 39.48 39.73 1pa7 n PHE 52 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1pa7 n PRO 53 N 2.53 2.16 -0.22 -1.08 -0.02 -0.43 -0.98 135.00 136.97 1pa7 n PRO 53 Ca 0.28 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 1pa7 n PRO 53 Cb 0.46 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1pa7 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pa7 n GLY 54 N 3.59 0.72 0.22 -1.23 0.00 -1.26 -4.95 105.19 102.28 1pa7 n GLY 54 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1pa7 n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pa7 h SER 55 N 0.00 0.00 -4.38 1.61 4.64 -1.36 -3.45 113.55 110.61 1pa7 h SER 55 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 1pa7 h SER 55 Cb 0.00 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 61.82 1pa7 h SER 55 CO 0.00 0.00 -0.88 -0.63 -0.87 0.00 0.00 176.83 174.45 1pa7 s ILE 56 N -3.40 2.06 -1.31 0.95 -1.09 -1.26 -4.21 121.20 112.93 1pa7 s ILE 56 Ca 0.05 -1.29 -0.18 0.00 -2.23 0.00 0.00 60.65 57.00 1pa7 s ILE 56 Cb 0.08 -1.75 0.04 0.00 -1.58 0.00 0.00 42.46 39.25 1pa7 s ILE 56 CO 0.58 0.41 1.88 0.00 -1.23 0.00 0.00 174.94 176.58 1pa7 n ALA 57 N 1.98 3.87 -0.29 9.38 0.00 -1.26 -4.84 120.51 129.34 1pa7 n ALA 57 Ca -0.17 -3.77 -0.06 0.00 0.00 0.00 0.00 53.44 49.45 1pa7 n ALA 57 Cb 0.52 -3.58 0.06 0.00 0.00 0.00 0.00 19.45 16.45 1pa7 n ALA 57 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pa7 h LEU 58 N 12.45 1.10 -2.35 0.00 3.38 -1.96 -1.51 115.31 126.42 1pa7 h LEU 58 Ca 0.46 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1pa7 h LEU 58 Cb 0.81 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1pa7 h LEU 58 CO 1.56 0.98 0.15 0.07 0.09 0.00 0.00 178.44 181.29 1pa7 h LYS 59 N 1.15 0.00 0.00 1.13 2.10 -1.92 0.39 116.57 119.42 1pa7 h LYS 59 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1pa7 h LYS 59 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1pa7 h LYS 59 CO -0.02 0.00 -0.94 1.63 -2.00 0.00 0.00 179.45 178.12 1pa7 n LYS 60 N -2.88 0.23 -2.29 0.07 5.02 -0.57 -4.94 118.16 112.80 1pa7 n LYS 60 Ca -0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.86 1pa7 n LYS 60 Cb 0.21 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 1pa7 n LYS 60 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1pa7 s VAL 61 N -3.16 3.32 -0.74 -0.18 1.01 0.12 -4.93 120.40 115.85 1pa7 s VAL 61 Ca 0.05 1.14 -0.17 0.00 0.00 0.00 0.00 61.98 63.00 1pa7 s VAL 61 Cb 0.15 -3.73 0.15 0.00 0.00 0.00 0.00 36.38 32.95 1pa7 s VAL 61 CO 0.79 0.20 0.79 -0.54 0.00 0.00 0.00 175.10 176.33 1pa7 s LYS 62 N -0.48 3.35 0.48 2.72 1.02 -1.26 -4.90 119.74 120.67 1pa7 s LYS 62 Ca 0.53 -1.86 0.27 0.00 0.02 0.00 0.00 55.97 54.93 1pa7 s LYS 62 Cb -0.35 -4.46 1.01 0.00 -0.52 0.00 0.00 37.83 33.51 1pa7 s LYS 62 CO 0.39 -1.47 1.86 0.74 -0.92 0.00 0.00 175.35 175.95 1pa7 h PHE 63 N 8.58 0.00 -0.54 3.18 0.04 -1.94 -2.94 116.94 123.32 1pa7 h PHE 63 Ca -0.06 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.43 1pa7 h PHE 63 Cb 1.06 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 39.05 1pa7 h PHE 63 CO 0.96 0.13 0.12 1.04 -0.60 0.00 0.00 178.31 179.96 1pa7 n GLN 64 N -3.25 1.98 -1.77 1.51 1.13 -1.26 -5.01 117.38 110.72 1pa7 n GLN 64 Ca 0.01 -3.14 -0.41 0.00 -1.94 0.00 0.00 57.00 51.51 1pa7 n GLN 64 Cb 0.40 -1.92 -0.00 0.00 0.11 0.00 0.00 30.24 28.82 1pa7 n GLN 64 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pa7 n ALA 65 N -1.11 2.43 -0.42 -1.58 0.00 -1.11 -4.93 120.51 113.79 1pa7 n ALA 65 Ca 0.41 0.35 0.00 0.00 0.00 0.00 0.00 53.44 54.19 1pa7 n ALA 65 Cb 1.22 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1pa7 n ALA 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pa7 n LYS 66 N 0.84 0.42 -4.98 0.00 5.02 -1.26 -4.99 118.16 113.20 1pa7 n LYS 66 Ca 0.03 -0.17 -0.30 0.00 -2.02 0.00 0.00 58.31 55.85 1pa7 n LYS 66 Cb 0.38 -0.60 -0.15 0.00 -0.02 0.00 0.00 35.03 34.65 1pa7 n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pa7 s LEU 67 N -0.22 2.17 0.33 -0.35 1.43 -1.26 -5.03 118.68 115.76 1pa7 s LEU 67 Ca 0.00 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.62 1pa7 s LEU 67 Cb 0.00 -1.32 0.76 0.00 0.03 0.00 0.00 46.19 45.67 1pa7 s LEU 67 CO 0.00 0.27 1.84 -0.08 0.23 0.00 0.00 176.35 178.61 1pa7 h GLU 68 N 4.94 0.73 -0.21 1.70 4.81 -1.98 -1.28 114.58 123.29 1pa7 h GLU 68 Ca -0.46 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 58.65 1pa7 h GLU 68 Cb 1.14 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1pa7 h GLU 68 CO 0.45 0.49 -0.20 1.12 -0.73 0.00 0.00 179.01 180.13 1pa7 h HIS 69 N 0.76 0.40 -0.43 0.92 2.07 -1.97 -1.61 115.15 115.29 1pa7 h HIS 69 Ca 0.49 -0.07 -0.12 0.00 -2.85 0.00 0.00 60.37 57.82 1pa7 h HIS 69 Cb 0.74 -0.10 -0.01 0.00 2.57 0.00 0.00 27.41 30.60 1pa7 h HIS 69 CO -0.00 0.55 -0.23 0.93 -3.07 0.00 0.00 177.93 176.10 1pa7 h GLU 70 N 0.33 0.87 -0.76 5.12 5.08 -1.67 -2.23 114.58 121.32 1pa7 h GLU 70 Ca 0.06 -0.37 0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1pa7 h GLU 70 Cb 0.54 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1pa7 h GLU 70 CO 0.04 1.01 0.48 1.88 -1.00 0.00 0.00 179.01 181.42 1pa7 h TYR 71 N 0.75 0.91 -0.72 4.33 0.05 -0.85 -1.44 116.97 120.00 1pa7 h TYR 71 Ca 0.10 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.87 1pa7 h TYR 71 Cb 0.78 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 38.18 1pa7 h TYR 71 CO 0.04 0.53 0.31 0.82 -1.05 0.00 0.00 178.16 178.81 1pa7 h ILE 72 N 0.95 1.24 -0.63 -2.88 2.04 -1.06 -0.73 117.51 116.45 1pa7 h ILE 72 Ca 0.30 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1pa7 h ILE 72 Cb -0.01 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 1pa7 h ILE 72 CO -0.10 0.30 0.38 1.56 0.00 0.00 0.00 178.15 180.29 1pa7 h GLN 73 N 1.02 0.73 -0.58 2.37 4.20 -0.86 -0.92 115.11 121.06 1pa7 h GLN 73 Ca 0.24 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 1pa7 h GLN 73 Cb 0.18 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1pa7 h GLN 73 CO -0.02 0.48 0.26 -0.91 -0.67 0.00 0.00 178.83 177.96 1pa7 h ASN 74 N 0.75 0.79 0.15 1.46 2.35 -0.73 -2.21 115.58 118.13 1pa7 h ASN 74 Ca 0.26 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 1pa7 h ASN 74 Cb 0.04 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1pa7 h ASN 74 CO -0.11 0.72 -0.25 -0.26 -1.65 0.00 0.00 177.43 175.88 1pa7 h PHE 75 N 0.80 0.20 -0.39 1.19 0.04 -0.78 -1.08 116.94 116.91 1pa7 h PHE 75 Ca 0.20 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.82 1pa7 h PHE 75 Cb 0.16 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1pa7 h PHE 75 CO 0.00 0.42 -0.20 0.87 -0.60 0.00 0.00 178.31 178.80 1pa7 h LYS 76 N 0.17 0.77 -0.64 1.51 1.57 -0.84 0.30 116.57 119.39 1pa7 h LYS 76 Ca 0.03 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1pa7 h LYS 76 Cb 0.54 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1pa7 h LYS 76 CO 0.04 0.91 0.40 0.82 -0.57 0.00 0.00 179.45 181.04 1pa7 h ILE 77 N 0.67 1.18 -0.60 1.86 2.04 -0.83 -1.51 117.51 120.33 1pa7 h ILE 77 Ca 0.10 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.59 1pa7 h ILE 77 Cb 0.71 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1pa7 h ILE 77 CO 0.05 0.18 0.38 0.25 0.00 0.00 0.00 178.15 179.02 1pa7 h LEU 78 N 0.87 0.65 -0.91 1.44 5.85 -0.86 -2.20 115.31 120.14 1pa7 h LEU 78 Ca 0.23 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1pa7 h LEU 78 Cb -0.05 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1pa7 h LEU 78 CO -0.05 0.46 0.54 1.56 -0.34 0.00 0.00 178.44 180.61 1pa7 h GLN 79 N 0.77 1.24 -0.48 1.25 4.20 -0.62 -0.13 115.11 121.35 1pa7 h GLN 79 Ca 0.23 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1pa7 h GLN 79 Cb -0.04 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.46 1pa7 h GLN 79 CO -0.07 0.88 0.07 0.00 -0.67 0.00 0.00 178.83 179.04 1pa7 h ALA 80 N 1.29 1.24 -0.48 3.87 0.00 -1.02 -0.18 119.26 123.97 1pa7 h ALA 80 Ca 0.33 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1pa7 h ALA 80 Cb -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1pa7 h ALA 80 CO -0.06 0.52 0.04 0.78 0.00 0.00 0.00 179.25 180.53 1pa7 h GLY 81 N 0.93 0.89 0.92 0.00 0.00 -0.67 -1.45 103.07 103.69 1pa7 h GLY 81 Ca 0.15 -0.62 0.02 0.00 0.00 0.00 0.00 47.33 46.88 1pa7 h GLY 81 CO 0.01 0.58 0.41 0.74 0.00 0.00 0.00 176.54 178.28 1pa7 h PHE 82 N 0.69 0.78 -0.39 5.60 0.05 -0.61 -1.87 116.94 121.19 1pa7 h PHE 82 Ca 0.14 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.91 1pa7 h PHE 82 Cb 0.45 -0.26 -0.02 0.00 2.00 0.00 0.00 35.95 38.13 1pa7 h PHE 82 CO 0.03 0.46 0.07 -0.22 -0.18 0.00 0.00 178.31 178.48 1pa7 h LYS 83 N 0.82 0.64 -0.70 1.51 3.64 -0.87 0.30 116.57 121.92 1pa7 h LYS 83 Ca 0.25 -0.17 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1pa7 h LYS 83 Cb -0.02 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 1pa7 h LYS 83 CO -0.09 0.69 0.46 -0.09 -2.27 0.00 0.00 179.45 178.15 1pa7 h ARG 84 N 0.49 0.72 -0.26 1.90 2.43 -0.99 -2.65 114.38 116.01 1pa7 h ARG 84 Ca 0.12 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1pa7 h ARG 84 Cb 0.35 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1pa7 h ARG 84 CO 0.01 0.47 0.00 -1.33 -1.51 0.00 0.00 179.97 177.61 1pa7 n MET 85 N -4.47 2.31 -1.54 0.20 2.81 -0.73 -4.94 117.12 110.76 1pa7 n MET 85 Ca 0.10 -1.97 -0.05 0.00 -1.81 0.00 0.00 57.70 53.98 1pa7 n MET 85 Cb 0.21 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.22 1pa7 n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pa7 n GLY 86 N 1.40 0.50 3.66 3.03 0.00 -0.57 -0.78 105.19 112.43 1pa7 n GLY 86 Ca 0.18 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1pa7 n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pa7 s VAL 87 N -2.20 4.84 -2.32 1.61 1.01 -0.01 -4.72 120.40 118.62 1pa7 s VAL 87 Ca 0.00 1.68 0.23 0.00 0.00 0.00 0.00 61.98 63.89 1pa7 s VAL 87 Cb 0.00 -4.16 0.50 0.00 0.00 0.00 0.00 36.38 32.72 1pa7 s VAL 87 CO 0.00 -0.03 1.45 -0.90 0.00 0.00 0.00 175.10 175.62 1pa7 n ASP 88 N 5.61 3.57 -4.72 3.32 5.68 -1.26 -4.53 116.55 124.21 1pa7 n ASP 88 Ca 0.06 -1.99 -0.42 0.00 -0.50 0.00 0.00 54.79 51.94 1pa7 n ASP 88 Cb 0.48 -0.33 -0.03 0.00 -1.14 0.00 0.00 41.12 40.10 1pa7 n ASP 88 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1pa7 s LYS 89 N -1.35 4.29 -0.15 0.11 2.47 -1.26 -4.98 119.74 118.87 1pa7 s LYS 89 Ca 0.42 2.18 -0.25 0.00 -1.56 0.00 0.00 55.97 56.77 1pa7 s LYS 89 Cb 0.24 -3.20 -0.02 0.00 -1.46 0.00 0.00 37.83 33.38 1pa7 s LYS 89 CO 0.32 -0.48 0.79 0.42 0.16 0.00 0.00 175.35 176.57 1pa7 s ILE 90 N 0.94 4.92 -0.18 5.43 1.01 -1.26 -5.03 121.20 127.04 1pa7 s ILE 90 Ca 0.65 1.57 -0.21 0.00 0.00 0.00 0.00 60.65 62.66 1pa7 s ILE 90 Cb -0.39 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 1pa7 s ILE 90 CO 0.32 0.08 0.63 -0.63 0.00 0.00 0.00 174.94 175.34 1pa7 s ILE 91 N 1.84 5.03 -1.48 2.92 1.01 -1.26 -4.97 121.20 124.30 1pa7 s ILE 91 Ca 0.38 1.21 -0.13 0.00 0.00 0.00 0.00 60.65 62.10 1pa7 s ILE 91 Cb -0.17 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.37 1pa7 s ILE 91 CO 0.14 0.13 2.33 -0.81 0.00 0.00 0.00 174.94 176.73 1pa7 n PRO 92 N 4.86 2.96 -0.05 2.79 -0.04 -1.26 -4.78 135.00 139.48 1pa7 n PRO 92 Ca -0.02 -2.54 -0.08 0.00 -0.04 0.00 0.00 63.50 60.83 1pa7 n PRO 92 Cb 0.50 -3.22 -0.02 0.00 -0.04 0.00 0.00 33.50 30.72 1pa7 n PRO 92 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1pa7 h VAL 93 N 3.87 0.76 -0.96 0.52 2.07 -1.99 -1.55 116.25 118.96 1pa7 h VAL 93 Ca 0.61 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.28 1pa7 h VAL 93 Cb 0.59 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 1pa7 h VAL 93 CO 1.88 0.00 0.61 -2.24 0.02 0.00 0.00 177.57 177.83 1pa7 h ASP 94 N -0.01 0.76 -0.02 0.57 -0.00 -2.01 -1.60 116.42 114.11 1pa7 h ASP 94 Ca 0.11 0.06 -0.04 0.00 -0.00 0.00 0.00 57.03 57.16 1pa7 h ASP 94 Cb 0.18 -0.09 0.00 0.00 -0.00 0.00 0.00 39.33 39.42 1pa7 h ASP 94 CO -0.24 0.36 -0.15 0.11 -0.00 0.00 0.00 179.24 179.32 1pa7 h LYS 95 N 0.79 0.14 -0.86 4.15 1.57 -1.78 -3.35 116.57 117.23 1pa7 h LYS 95 Ca 0.50 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 59.13 1pa7 h LYS 95 Cb 0.72 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 1pa7 h LYS 95 CO -0.26 0.80 0.44 -0.07 -0.57 0.00 0.00 179.45 179.78 1pa7 h LEU 96 N -0.48 1.10 -0.60 2.94 3.38 -0.57 -2.49 115.31 118.59 1pa7 h LEU 96 Ca -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1pa7 h LEU 96 Cb 0.83 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1pa7 h LEU 96 CO 0.03 0.91 0.00 1.33 0.09 0.00 0.00 178.44 180.80 1pa7 n VAL 97 N -4.32 0.99 0.41 1.22 0.24 -0.67 -2.09 118.33 114.11 1pa7 n VAL 97 Ca 0.09 0.34 0.13 0.00 -2.04 0.00 0.00 64.34 62.85 1pa7 n VAL 97 Cb 0.12 -1.24 0.50 0.00 -1.47 0.00 0.00 33.84 31.75 1pa7 n VAL 97 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1pa7 h LYS 98 N 0.00 0.00 -0.99 7.34 1.79 -1.59 -3.46 116.57 119.66 1pa7 h LYS 98 Ca 0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 1pa7 h LYS 98 Cb 0.25 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1pa7 h LYS 98 CO 0.00 0.00 -0.11 0.41 -1.08 0.00 0.00 179.45 178.67 1pa7 n GLY 99 N 0.27 0.37 3.92 3.86 0.00 -0.89 -5.04 105.19 107.68 1pa7 n GLY 99 Ca 0.02 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 1pa7 n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pa7 s LYS 100 N -4.54 3.37 0.00 1.61 -0.14 -1.26 -4.84 119.74 113.93 1pa7 s LYS 100 Ca 0.04 -0.58 -0.25 0.00 -1.36 0.00 0.00 55.97 53.81 1pa7 s LYS 100 Cb -0.02 -2.95 -0.19 0.00 -1.68 0.00 0.00 37.83 33.00 1pa7 s LYS 100 CO 0.04 0.54 1.33 0.35 -0.76 0.00 0.00 175.35 176.86 1pa7 h PHE 101 N 2.47 -0.08 -0.11 3.18 3.04 -1.96 -3.06 116.94 120.43 1pa7 h PHE 101 Ca -0.47 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.46 1pa7 h PHE 101 Cb 1.18 0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.72 1pa7 h PHE 101 CO 0.56 0.30 0.01 1.96 -2.02 0.00 0.00 178.31 179.12 1pa7 h GLN 102 N -0.47 0.19 -0.69 1.11 1.08 -1.99 0.13 115.11 114.47 1pa7 h GLN 102 Ca -0.01 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1pa7 h GLN 102 Cb 0.41 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 1pa7 h GLN 102 CO 0.01 0.39 0.38 -0.44 -0.95 0.00 0.00 178.83 178.23 1pa7 h ASP 103 N -0.05 0.87 -0.52 1.46 3.32 -1.96 -0.95 116.42 118.59 1pa7 h ASP 103 Ca 0.03 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 1pa7 h ASP 103 Cb 0.30 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1pa7 h ASP 103 CO 0.00 0.71 -0.08 0.78 -1.72 0.00 0.00 179.24 178.93 1pa7 h ASN 104 N 0.95 0.99 -0.44 6.45 2.35 -1.37 -2.40 115.58 122.12 1pa7 h ASN 104 Ca 0.24 -0.31 -0.12 0.00 -0.55 0.00 0.00 56.30 55.56 1pa7 h ASN 104 Cb 0.04 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1pa7 h ASN 104 CO -0.04 1.09 -0.20 0.15 -1.65 0.00 0.00 177.43 176.78 1pa7 h PHE 105 N 0.90 1.05 -0.37 1.19 -0.00 -0.51 -1.87 116.94 117.33 1pa7 h PHE 105 Ca 0.15 -0.26 0.04 0.00 -0.00 0.00 0.00 57.97 57.90 1pa7 h PHE 105 Cb 0.64 -0.24 -0.04 0.00 -0.00 0.00 0.00 35.95 36.31 1pa7 h PHE 105 CO 0.04 1.05 0.13 1.49 -0.00 0.00 0.00 178.31 181.02 1pa7 h GLU 106 N 0.74 0.27 -0.47 1.11 4.81 -1.10 -1.61 114.58 118.33 1pa7 h GLU 106 Ca 0.10 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 1pa7 h GLU 106 Cb 0.77 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1pa7 h GLU 106 CO 0.06 0.18 -0.23 0.35 -0.73 0.00 0.00 179.01 178.64 1pa7 h PHE 107 N 0.28 1.14 -0.05 0.92 3.57 -1.35 -2.85 116.94 118.60 1pa7 h PHE 107 Ca 0.17 -0.28 -0.08 0.00 3.53 0.00 0.00 57.97 61.30 1pa7 h PHE 107 Cb 0.14 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1pa7 h PHE 107 CO -0.14 1.11 -0.34 -0.24 -2.23 0.00 0.00 178.31 176.46 1pa7 h VAL 108 N 0.84 1.27 -0.71 1.41 3.04 -1.15 0.75 116.25 121.69 1pa7 h VAL 108 Ca 0.10 -1.27 -0.03 0.00 -1.01 0.00 0.00 66.70 64.50 1pa7 h VAL 108 Cb 0.81 1.61 -0.03 0.00 -2.01 0.00 0.00 31.29 31.67 1pa7 h VAL 108 CO 0.07 0.37 0.33 1.56 -1.01 0.00 0.00 177.57 178.89 1pa7 h GLN 109 N 0.09 1.03 -0.31 4.17 1.08 -1.07 0.01 115.11 120.11 1pa7 h GLN 109 Ca 0.01 -0.16 -0.03 0.00 -1.45 0.00 0.00 58.65 57.02 1pa7 h GLN 109 Cb 0.66 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1pa7 h GLN 109 CO 0.05 0.82 0.09 2.35 -0.95 0.00 0.00 178.83 181.19 1pa7 h TRP 110 N 1.00 0.51 -0.88 2.96 7.01 -1.22 -2.94 115.95 122.38 1pa7 h TRP 110 Ca 0.24 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.19 1pa7 h TRP 110 Cb 0.14 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.01 1pa7 h TRP 110 CO 0.01 0.52 0.56 0.35 -2.79 0.00 0.00 178.44 177.08 1pa7 h PHE 111 N 0.35 1.13 -0.82 2.65 3.04 -0.44 -0.55 116.94 122.30 1pa7 h PHE 111 Ca 0.10 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.02 1pa7 h PHE 111 Cb 0.25 -0.38 -0.04 0.00 2.56 0.00 0.00 35.95 38.35 1pa7 h PHE 111 CO 0.01 0.74 0.36 -0.22 -2.02 0.00 0.00 178.31 177.17 1pa7 h LYS 112 N 1.20 1.20 -0.60 1.11 1.63 -1.01 0.24 116.57 120.33 1pa7 h LYS 112 Ca 0.32 -0.20 -0.07 0.00 -0.85 0.00 0.00 60.65 59.85 1pa7 h LYS 112 Cb -0.09 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.31 1pa7 h LYS 112 CO -0.06 0.95 0.10 0.87 -3.45 0.00 0.00 179.45 177.86 1pa7 h LYS 113 N 1.18 1.00 -0.20 1.90 1.57 -1.15 0.67 116.57 121.54 1pa7 h LYS 113 Ca 0.28 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1pa7 h LYS 113 Cb 0.17 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1pa7 h LYS 113 CO -0.03 0.94 0.11 0.35 -0.57 0.00 0.00 179.45 180.25 1pa7 h PHE 114 N 0.90 0.26 -0.08 -1.35 3.04 -0.64 -1.39 116.94 117.69 1pa7 h PHE 114 Ca 0.18 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.16 1pa7 h PHE 114 Cb 0.42 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.81 1pa7 h PHE 114 CO 0.03 0.22 -0.09 0.35 -2.02 0.00 0.00 178.31 176.80 1pa7 h PHE 115 N 0.23 -0.23 -0.39 0.41 3.04 -0.34 -2.57 116.94 117.09 1pa7 h PHE 115 Ca 0.07 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1pa7 h PHE 115 Cb 0.04 0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 1pa7 h PHE 115 CO -0.05 -0.14 0.18 -0.44 -2.02 0.00 0.00 178.31 175.84 1pa7 h ASP 116 N -0.12 0.48 1.03 0.41 3.32 -0.67 0.96 116.42 121.82 1pa7 h ASP 116 Ca 0.06 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1pa7 h ASP 116 Cb 0.21 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1pa7 h ASP 116 CO -0.15 0.42 0.00 0.00 -1.72 0.00 0.00 179.24 177.79 1pa7 h ALA 117 N 1.66 1.00 0.00 3.45 0.00 -0.88 -3.33 119.26 121.16 1pa7 h ALA 117 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pa7 h ALA 117 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1pa7 h ALA 117 CO -0.02 0.00 -0.91 0.09 0.00 0.00 0.00 179.25 178.41 1pa7 n ASN 118 N -2.98 3.12 -4.72 0.00 4.13 -0.57 -4.82 115.26 109.41 1pa7 n ASN 118 Ca 0.01 -0.15 -0.42 0.00 1.68 0.00 0.00 54.58 55.70 1pa7 n ASN 118 Cb 0.31 1.13 -0.03 0.00 -1.54 0.00 0.00 39.78 39.64 1pa7 n ASN 118 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1pa7 s TYR 119 N -2.02 3.26 -2.60 3.10 5.04 0.23 -4.93 117.35 119.43 1pa7 s TYR 119 Ca -0.01 1.05 0.24 0.00 -2.44 0.00 0.00 57.07 55.92 1pa7 s TYR 119 Cb 0.02 -3.64 0.32 0.00 0.35 0.00 0.00 41.96 39.01 1pa7 s TYR 119 CO 0.15 -2.17 1.32 -0.40 -1.34 0.00 0.00 175.55 173.11 1pa7 n ASP 120 N 3.58 2.39 0.00 4.32 5.75 -1.26 -4.96 116.55 126.36 1pa7 n ASP 120 Ca 0.10 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 1pa7 n ASP 120 Cb 0.43 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1pa7 n ASP 120 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pa7 n GLY 121 N 1.34 0.75 3.75 6.12 0.00 -1.26 -5.03 105.19 110.86 1pa7 n GLY 121 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1pa7 n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pa7 s LYS 122 N -0.48 3.27 0.50 1.61 -2.85 -1.26 -4.97 119.74 115.55 1pa7 s LYS 122 Ca 0.00 2.10 -0.22 0.00 -1.00 0.00 0.00 55.97 56.85 1pa7 s LYS 122 Cb 0.00 -2.27 -0.06 0.00 -2.06 0.00 0.00 37.83 33.44 1pa7 s LYS 122 CO 0.00 -1.05 1.24 -0.51 0.10 0.00 0.00 175.35 175.13 1pa7 s ASP 123 N -1.10 5.78 -0.17 0.03 -0.00 -1.26 -5.04 116.67 114.92 1pa7 s ASP 123 Ca 0.70 2.49 -0.09 0.00 -0.00 0.00 0.00 52.55 55.65 1pa7 s ASP 123 Cb -0.37 -2.62 0.06 0.00 -0.00 0.00 0.00 42.92 40.00 1pa7 s ASP 123 CO 0.44 -1.20 0.40 -0.47 -0.00 0.00 0.00 175.17 174.34 1pa7 s TYR 124 N -1.45 -0.60 -0.56 4.23 5.04 -1.26 -5.10 117.35 117.65 1pa7 s TYR 124 Ca 0.67 1.27 -0.15 0.00 -2.44 0.00 0.00 57.07 56.42 1pa7 s TYR 124 Cb -0.33 0.25 0.14 0.00 0.35 0.00 0.00 41.96 42.37 1pa7 s TYR 124 CO 0.40 -0.35 0.51 0.34 -1.34 0.00 0.00 175.55 175.11 1pa7 s ASP 125 N 1.51 6.19 0.39 4.32 -1.08 -1.26 -4.92 116.67 121.81 1pa7 s ASP 125 Ca -0.09 -1.87 0.20 0.00 -0.52 0.00 0.00 52.55 50.27 1pa7 s ASP 125 Cb -0.09 -2.19 0.69 0.00 -1.46 0.00 0.00 42.92 39.86 1pa7 s ASP 125 CO -0.12 -0.82 1.73 1.55 0.52 0.00 0.00 175.17 178.02 1pa7 h PRO 126 N 8.77 0.00 -0.02 4.34 0.13 -1.85 -2.48 132.00 140.88 1pa7 h PRO 126 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1pa7 h PRO 126 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1pa7 h PRO 126 CO 1.00 0.33 -0.06 0.28 -0.23 0.00 0.00 178.00 179.32 1pa7 h VAL 127 N 0.00 1.49 0.00 1.56 2.07 -1.92 -3.08 116.25 116.37 1pa7 h VAL 127 Ca -0.00 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 1pa7 h VAL 127 Cb 0.90 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1pa7 h VAL 127 CO 0.04 0.41 -0.01 0.00 0.02 0.00 0.00 177.57 178.03 1pa7 h ALA 128 N 0.38 1.92 0.00 1.67 0.00 -1.97 -0.85 119.26 120.41 1pa7 h ALA 128 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pa7 h ALA 128 Cb 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1pa7 h ALA 128 CO 0.01 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1pa7 h ALA 129 N 1.99 1.00 -0.01 0.00 0.00 -1.43 -3.52 119.26 117.29 1pa7 h ALA 129 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pa7 h ALA 129 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pa7 h ALA 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79