#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pu7 n LEU 2 N nan 2.85 -4.33 0.00 7.94 -1.26 -5.00 117.00 nan 1pu7 n LEU 2 Ca nan 1.03 -0.20 0.00 -1.11 0.00 0.00 56.01 nan 1pu7 n LEU 2 Cb nan -1.25 -0.08 0.00 0.53 0.00 0.00 43.42 nan 1pu7 n LEU 2 CO nan -0.27 -0.14 1.51 -1.11 0.00 0.00 177.39 nan 1pu7 s ASP 3 N 3.71 1.80 0.38 1.96 1.47 -1.26 -5.06 116.67 119.67 1pu7 s ASP 3 Ca 0.96 -1.70 0.26 0.00 1.18 0.00 0.00 52.55 53.24 1pu7 s ASP 3 Cb -0.90 0.53 0.77 0.00 -0.34 0.00 0.00 42.92 42.98 1pu7 s ASP 3 CO 0.59 -1.01 1.75 0.77 0.68 0.00 0.00 175.17 177.95 1pu7 h SER 4 N 2.10 0.00 -0.26 2.11 4.64 -1.86 -2.43 113.55 117.85 1pu7 h SER 4 Ca -0.29 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.96 1pu7 h SER 4 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1pu7 h SER 4 CO 0.43 0.00 -0.11 0.15 -0.87 0.00 0.00 176.83 176.43 1pu7 h PHE 5 N 0.00 0.62 -0.62 4.77 -0.00 -1.89 0.12 116.94 119.94 1pu7 h PHE 5 Ca 0.00 -0.15 0.03 0.00 -0.00 0.00 0.00 57.97 57.85 1pu7 h PHE 5 Cb 0.74 -0.14 -0.04 0.00 -0.00 0.00 0.00 35.95 36.51 1pu7 h PHE 5 CO 0.00 0.78 0.38 0.93 -0.00 0.00 0.00 178.31 180.40 1pu7 h GLU 6 N 0.27 0.73 -0.22 1.11 4.39 -1.86 -1.15 114.58 117.84 1pu7 h GLU 6 Ca 0.06 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1pu7 h GLU 6 Cb 0.62 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1pu7 h GLU 6 CO 0.04 0.48 0.11 0.82 -1.16 0.00 0.00 179.01 179.30 1pu7 h ILE 7 N 0.75 1.12 -0.45 3.13 2.04 -1.35 -2.45 117.51 120.31 1pu7 h ILE 7 Ca 0.25 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 65.83 1pu7 h ILE 7 Cb 0.02 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 1pu7 h ILE 7 CO -0.10 0.12 0.13 0.25 0.00 0.00 0.00 178.15 178.55 1pu7 h LEU 8 N 0.24 0.10 -0.40 1.44 5.85 -0.38 0.04 115.31 122.21 1pu7 h LEU 8 Ca 0.08 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1pu7 h LEU 8 Cb 0.09 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1pu7 h LEU 8 CO -0.01 0.09 0.26 0.11 -0.34 0.00 0.00 178.44 178.55 1pu7 h LYS 9 N 0.29 0.51 -0.66 1.25 1.57 -1.08 0.15 116.57 118.60 1pu7 h LYS 9 Ca 0.22 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 1pu7 h LYS 9 Cb 0.24 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1pu7 h LYS 9 CO -0.25 0.34 0.15 0.00 -0.57 0.00 0.00 179.45 179.12 1pu7 h ALA 10 N 1.15 0.88 -0.31 3.86 0.00 -1.09 -2.60 119.26 121.15 1pu7 h ALA 10 Ca 0.15 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1pu7 h ALA 10 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1pu7 h ALA 10 CO -0.04 0.61 -0.29 -0.07 0.00 0.00 0.00 179.25 179.46 1pu7 h LEU 11 N 1.00 0.79 -0.98 0.00 3.38 -0.65 -3.10 115.31 115.74 1pu7 h LEU 11 Ca 0.21 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.77 1pu7 h LEU 11 Cb 0.39 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1pu7 h LEU 11 CO 0.01 1.09 0.63 0.50 0.09 0.00 0.00 178.44 180.76 1pu7 h LYS 12 N 0.50 1.14 0.00 1.13 3.64 -0.59 -2.31 116.57 120.08 1pu7 h LYS 12 Ca 0.05 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1pu7 h LYS 12 Cb 0.86 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1pu7 h LYS 12 CO 0.07 0.75 0.00 -1.13 -2.27 0.00 0.00 179.45 176.87 1pu7 n SER 13 N -4.50 0.00 -0.25 4.20 3.41 -0.99 -1.90 113.62 113.59 1pu7 n SER 13 Ca 0.14 -0.16 0.15 0.00 -0.26 0.00 0.00 58.87 58.74 1pu7 n SER 13 Cb 0.15 -0.25 0.72 0.00 -0.26 0.00 0.00 64.21 64.57 1pu7 n SER 13 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pu7 n LEU 14 N -1.25 0.78 -4.13 1.04 4.77 -0.87 -4.96 117.00 112.38 1pu7 n LEU 14 Ca 0.13 -0.26 -0.37 0.00 -0.03 0.00 0.00 56.01 55.48 1pu7 n LEU 14 Cb 0.19 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1pu7 n LEU 14 CO 0.19 0.13 -0.30 -0.67 -1.33 0.00 0.00 177.39 175.41 1pu7 n ASP 15 N -0.38 -1.45 0.23 -1.43 2.03 -0.80 -4.86 116.55 109.89 1pu7 n ASP 15 Ca 0.21 -1.20 0.12 0.00 0.52 0.00 0.00 54.79 54.44 1pu7 n ASP 15 Cb 0.24 -1.47 0.39 0.00 -0.72 0.00 0.00 41.12 39.56 1pu7 n ASP 15 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1pu7 h LEU 16 N -1.92 0.00 -3.38 -2.67 3.38 -1.81 -3.22 115.31 105.69 1pu7 h LEU 16 Ca -0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1pu7 h LEU 16 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1pu7 h LEU 16 CO 0.57 0.13 0.00 0.18 0.09 0.00 0.00 178.44 179.41 1pu7 n LEU 17 N -3.20 4.77 -0.35 1.67 4.77 -1.26 -4.76 117.00 118.64 1pu7 n LEU 17 Ca 0.02 -2.91 -0.04 0.00 -0.03 0.00 0.00 56.01 53.05 1pu7 n LEU 17 Cb 0.46 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1pu7 n LEU 17 CO 0.33 0.67 0.48 0.29 -1.33 0.00 0.00 177.39 177.82 1pu7 n LYS 18 N 0.15 -0.27 -0.48 3.23 4.76 -1.22 -1.41 118.16 122.93 1pu7 n LYS 18 Ca 0.24 1.33 0.08 0.00 -2.87 0.00 0.00 58.31 57.09 1pu7 n LYS 18 Cb 1.02 -1.97 0.28 0.00 -1.84 0.00 0.00 35.03 32.52 1pu7 n LYS 18 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1pu7 n ASN 19 N -5.21 4.13 -4.84 4.39 3.02 -1.26 -4.99 115.26 110.50 1pu7 n ASN 19 Ca 0.06 -2.57 -0.32 0.00 -0.03 0.00 0.00 54.58 51.72 1pu7 n ASN 19 Cb 0.30 -0.49 -0.06 0.00 -0.61 0.00 0.00 39.78 38.93 1pu7 n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pu7 s ALA 20 N -2.04 3.14 1.10 5.41 0.00 -0.50 -5.08 121.76 123.79 1pu7 s ALA 20 Ca 0.42 0.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.46 1pu7 s ALA 20 Cb 0.29 -3.01 0.25 0.00 0.00 0.00 0.00 23.12 20.65 1pu7 s ALA 20 CO 0.17 0.07 1.05 -1.25 0.00 0.00 0.00 175.76 175.80 1pu7 s PRO 21 N -3.42 -0.43 0.27 0.00 0.04 -1.26 -4.85 135.00 125.35 1pu7 s PRO 21 Ca 0.58 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1pu7 s PRO 21 Cb -0.10 -1.62 0.63 0.00 0.04 0.00 0.00 34.50 33.45 1pu7 s PRO 21 CO 0.20 -3.36 1.68 0.00 0.04 0.00 0.00 177.00 175.56 1pu7 h ALA 22 N -2.36 1.23 -0.69 8.56 0.00 -1.97 -0.06 119.26 123.98 1pu7 h ALA 22 Ca -0.59 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1pu7 h ALA 22 Cb 1.33 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1pu7 h ALA 22 CO 0.53 -0.36 0.00 0.91 0.00 0.00 0.00 179.25 180.33 1pu7 n TRP 23 N -5.12 1.05 0.00 0.00 7.02 -1.26 -4.84 117.44 114.29 1pu7 n TRP 23 Ca 0.19 -0.52 0.00 0.00 -1.02 0.00 0.00 57.50 56.15 1pu7 n TRP 23 Cb 0.59 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 29.43 1pu7 n TRP 23 CO 0.00 0.00 0.00 1.87 -2.02 0.00 0.00 177.69 177.54 1pu7 n TRP 24 N 1.47 0.00 -1.98 -5.99 -0.00 -0.04 -4.47 117.44 106.43 1pu7 n TRP 24 Ca 0.24 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.32 1pu7 n TRP 24 Cb 0.67 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.95 1pu7 n TRP 24 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 177.69 177.23 1pu7 s TRP 25 N 0.00 2.22 0.27 5.87 -0.11 -1.26 -4.34 118.94 121.59 1pu7 s TRP 25 Ca 0.00 0.28 -0.30 0.00 1.22 0.00 0.00 56.10 57.30 1pu7 s TRP 25 Cb 0.00 -3.93 -0.10 0.00 -1.50 0.00 0.00 33.47 27.94 1pu7 s TRP 25 CO 0.00 -3.80 1.45 -2.14 -4.62 0.00 0.00 176.95 167.83 1pu7 s PRO 26 N 3.28 4.25 -1.28 5.86 0.02 -1.26 -2.56 135.00 143.31 1pu7 s PRO 26 Ca 0.73 2.35 -0.08 0.00 0.02 0.00 0.00 61.00 64.02 1pu7 s PRO 26 Cb -0.36 -3.08 0.01 0.00 0.02 0.00 0.00 34.50 31.08 1pu7 s PRO 26 CO 0.31 -0.43 1.00 0.09 -0.33 0.00 0.00 177.00 177.65 1pu7 n ASN 27 N 1.98 -6.01 -4.71 2.53 5.03 -1.26 -4.69 115.26 108.12 1pu7 n ASN 27 Ca 0.06 -0.46 -0.34 0.00 0.87 0.00 0.00 54.58 54.71 1pu7 n ASN 27 Cb 0.40 -4.67 0.11 0.00 -1.02 0.00 0.00 39.78 34.60 1pu7 n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pu7 s ALA 28 N -3.27 2.02 -0.68 5.41 0.00 -1.06 -3.20 121.76 120.98 1pu7 s ALA 28 Ca 0.50 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1pu7 s ALA 28 Cb -0.22 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1pu7 s ALA 28 CO 0.62 -2.04 0.00 1.28 0.00 0.00 0.00 175.76 175.61 1pu7 n LEU 29 N -2.91 -0.38 -4.34 0.00 4.77 0.23 -4.97 117.00 109.40 1pu7 n LEU 29 Ca 0.14 0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 56.10 1pu7 n LEU 29 Cb 0.50 -1.40 -0.10 0.00 -2.33 0.00 0.00 43.42 40.09 1pu7 n LEU 29 CO 0.48 -0.42 -0.36 -0.54 -1.33 0.00 0.00 177.39 175.22 1pu7 s LYS 30 N -2.27 1.33 0.37 3.23 1.02 -1.20 -4.94 119.74 117.29 1pu7 s LYS 30 Ca 0.00 -1.65 0.09 0.00 0.02 0.00 0.00 55.97 54.43 1pu7 s LYS 30 Cb 0.00 -0.75 0.83 0.00 -0.52 0.00 0.00 37.83 37.39 1pu7 s LYS 30 CO 0.00 -0.02 1.93 0.35 -0.92 0.00 0.00 175.35 176.69 1pu7 h PHE 31 N 2.50 0.71 -0.84 3.18 3.04 -1.92 -0.17 116.94 123.43 1pu7 h PHE 31 Ca -0.38 0.02 0.14 0.00 3.98 0.00 0.00 57.97 61.72 1pu7 h PHE 31 Cb 1.22 -0.23 -0.06 0.00 2.56 0.00 0.00 35.95 39.44 1pu7 h PHE 31 CO 0.62 0.33 0.55 1.49 -2.02 0.00 0.00 178.31 179.28 1pu7 h GLU 32 N 0.66 0.61 -0.62 1.11 4.81 -1.96 0.15 114.58 119.34 1pu7 h GLU 32 Ca 0.35 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.47 1pu7 h GLU 32 Cb 0.49 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1pu7 h GLU 32 CO -0.13 0.41 0.08 0.00 -0.73 0.00 0.00 179.01 178.63 1pu7 h ALA 33 N 1.61 0.97 -0.56 2.92 0.00 -1.10 -0.07 119.26 123.03 1pu7 h ALA 33 Ca 0.42 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1pu7 h ALA 33 Cb 0.71 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1pu7 h ALA 33 CO -0.17 0.64 0.08 1.25 0.00 0.00 0.00 179.25 181.04 1pu7 h LEU 34 N 0.96 0.90 -0.55 0.00 6.46 -1.12 0.23 115.31 122.19 1pu7 h LEU 34 Ca 0.19 -0.27 0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1pu7 h LEU 34 Cb 0.45 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1pu7 h LEU 34 CO 0.01 0.94 0.34 -0.07 -0.62 0.00 0.00 178.44 179.05 1pu7 h LEU 35 N 0.82 0.57 -1.16 2.25 3.38 -0.85 -2.36 115.31 117.96 1pu7 h LEU 35 Ca 0.17 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1pu7 h LEU 35 Cb 0.43 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1pu7 h LEU 35 CO 0.01 0.40 -0.15 1.23 0.09 0.00 0.00 178.44 180.02 1pu7 h GLY 36 N 0.69 0.43 1.72 0.83 0.00 -0.57 -1.33 103.07 104.83 1pu7 h GLY 36 Ca 0.22 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1pu7 h GLY 36 CO -0.08 0.28 -0.08 0.00 0.00 0.00 0.00 176.54 176.66 1pu7 h ALA 37 N 1.47 1.45 0.12 3.60 0.00 -0.02 -0.27 119.26 125.60 1pu7 h ALA 37 Ca 0.07 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1pu7 h ALA 37 Cb 0.50 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.20 1pu7 h ALA 37 CO 0.03 0.39 -0.76 0.28 0.00 0.00 0.00 179.25 179.19 1pu7 h VAL 38 N 0.34 1.52 0.00 0.00 2.07 -1.20 -3.36 116.25 115.61 1pu7 h VAL 38 Ca 0.07 -2.48 -0.07 0.00 0.82 0.00 0.00 66.70 65.05 1pu7 h VAL 38 Cb 0.36 3.15 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1pu7 h VAL 38 CO 0.02 0.70 -0.31 -0.07 0.02 0.00 0.00 177.57 177.93 1pu7 h LEU 39 N -0.37 0.00 -0.90 2.57 3.38 -1.01 -3.12 115.31 115.86 1pu7 h LEU 39 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1pu7 h LEU 39 Cb 1.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1pu7 h LEU 39 CO 0.14 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.98 1pu7 h THR 40 N 0.00 0.00 -2.07 0.22 1.03 -1.20 -3.44 112.91 107.45 1pu7 h THR 40 Ca -0.00 -0.56 -0.61 0.00 -0.01 0.00 0.00 66.41 65.23 1pu7 h THR 40 Cb 0.78 1.51 0.02 0.00 -1.07 0.00 0.00 68.15 69.39 1pu7 h THR 40 CO 0.04 0.00 1.09 1.67 -0.01 0.00 0.00 175.52 178.31 1pu7 n GLN 41 N -2.87 2.22 -2.62 0.00 7.27 -1.18 -2.34 117.38 117.86 1pu7 n GLN 41 Ca 0.02 0.81 -0.18 0.00 0.07 0.00 0.00 57.00 57.73 1pu7 n GLN 41 Cb 0.35 -2.66 0.01 0.00 2.41 0.00 0.00 30.24 30.35 1pu7 n GLN 41 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1pu7 n ASN 42 N 6.51 -5.13 -3.75 1.69 3.02 -1.26 -4.97 115.26 111.35 1pu7 n ASN 42 Ca 0.22 -0.13 -0.11 0.00 -0.03 0.00 0.00 54.58 54.52 1pu7 n ASN 42 Cb 0.30 -4.09 -0.05 0.00 -0.61 0.00 0.00 39.78 35.32 1pu7 n ASN 42 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1pu7 s THR 43 N -2.96 0.00 0.26 3.41 -1.32 -0.99 -4.99 115.64 109.05 1pu7 s THR 43 Ca 0.13 -1.56 -0.17 0.00 -1.21 0.00 0.00 61.69 58.89 1pu7 s THR 43 Cb -0.06 -2.41 -0.08 0.00 -1.51 0.00 0.00 72.50 68.43 1pu7 s THR 43 CO 0.17 0.00 0.71 -1.59 -2.21 0.00 0.00 174.62 171.70 1pu7 s LYS 44 N -3.68 4.10 0.39 7.08 0.00 -1.26 -4.97 119.74 121.41 1pu7 s LYS 44 Ca 0.28 0.73 0.18 0.00 0.00 0.00 0.00 55.97 57.16 1pu7 s LYS 44 Cb 0.01 -2.67 0.79 0.00 0.00 0.00 0.00 37.83 35.96 1pu7 s LYS 44 CO 0.13 0.29 1.80 0.35 0.00 0.00 0.00 175.35 177.93 1pu7 h PHE 45 N 2.86 0.00 -0.98 1.78 3.04 -1.99 -1.96 116.94 119.70 1pu7 h PHE 45 Ca -0.48 0.00 0.07 0.00 3.98 0.00 0.00 57.97 61.55 1pu7 h PHE 45 Cb 1.18 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.63 1pu7 h PHE 45 CO 0.63 0.35 0.63 1.05 -2.02 0.00 0.00 178.31 178.95 1pu7 h GLU 46 N 0.00 1.07 -0.56 1.11 9.09 -2.00 -1.13 114.58 122.16 1pu7 h GLU 46 Ca -0.00 -0.06 -0.09 0.00 0.05 0.00 0.00 59.36 59.26 1pu7 h GLU 46 Cb 0.75 -0.24 -0.02 0.00 -1.65 0.00 0.00 28.75 27.59 1pu7 h GLU 46 CO 0.05 0.71 0.01 0.00 0.05 0.00 0.00 179.01 179.82 1pu7 h ALA 47 N 1.49 0.95 -0.87 1.06 0.00 -1.67 -2.42 119.26 117.80 1pu7 h ALA 47 Ca 0.43 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1pu7 h ALA 47 Cb 0.23 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1pu7 h ALA 47 CO -0.18 0.63 0.56 0.28 0.00 0.00 0.00 179.25 180.54 1pu7 h VAL 48 N 0.89 1.14 -0.68 0.00 2.07 -1.22 -0.48 116.25 117.96 1pu7 h VAL 48 Ca 0.16 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 1pu7 h VAL 48 Cb 0.51 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1pu7 h VAL 48 CO 0.02 0.20 0.20 -0.07 0.02 0.00 0.00 177.57 177.95 1pu7 h LEU 49 N 1.09 0.98 -0.30 2.57 4.07 -1.03 -0.42 115.31 122.27 1pu7 h LEU 49 Ca 0.35 -0.18 -0.07 0.00 0.08 0.00 0.00 57.88 58.05 1pu7 h LEU 49 Cb 0.01 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.48 1pu7 h LEU 49 CO -0.12 0.92 -0.09 0.50 -1.08 0.00 0.00 178.44 178.58 1pu7 h LYS 50 N 1.01 0.58 -0.34 1.13 1.63 -0.92 -0.83 116.57 118.83 1pu7 h LYS 50 Ca 0.22 -0.23 0.06 0.00 -0.85 0.00 0.00 60.65 59.85 1pu7 h LYS 50 Cb 0.30 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.84 1pu7 h LYS 50 CO -0.01 0.79 -0.03 0.77 -3.45 0.00 0.00 179.45 177.52 1pu7 h SER 51 N 0.35 -0.20 -0.79 4.20 0.02 -0.78 -1.55 113.55 114.79 1pu7 h SER 51 Ca 0.07 0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.17 1pu7 h SER 51 Cb 0.58 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.22 1pu7 h SER 51 CO 0.03 -0.06 0.48 -0.07 -1.14 0.00 0.00 176.83 176.07 1pu7 h LEU 52 N 0.06 0.73 -1.54 5.07 3.38 -0.92 -1.71 115.31 120.38 1pu7 h LEU 52 Ca 0.16 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1pu7 h LEU 52 Cb 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1pu7 h LEU 52 CO -0.30 0.47 0.23 -0.33 0.09 0.00 0.00 178.44 178.59 1pu7 h GLU 53 N 0.87 0.54 -0.41 1.13 4.39 -0.69 -0.89 114.58 119.51 1pu7 h GLU 53 Ca 0.35 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.95 1pu7 h GLU 53 Cb 0.19 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1pu7 h GLU 53 CO -0.18 0.39 0.03 -0.91 -1.16 0.00 0.00 179.01 177.18 1pu7 h ASN 54 N 0.55 0.68 -0.76 1.42 2.35 -0.42 -0.18 115.58 119.22 1pu7 h ASN 54 Ca 0.14 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 1pu7 h ASN 54 Cb -0.00 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 1pu7 h ASN 54 CO -0.03 0.80 0.43 -0.07 -1.65 0.00 0.00 177.43 176.92 1pu7 h LEU 55 N 0.54 0.93 -0.23 1.61 3.38 -0.96 -0.82 115.31 119.76 1pu7 h LEU 55 Ca 0.12 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1pu7 h LEU 55 Cb 0.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1pu7 h LEU 55 CO 0.02 0.75 -0.11 0.11 0.09 0.00 0.00 178.44 179.29 1pu7 h LYS 56 N 1.05 0.48 0.00 1.13 1.57 -1.01 -0.08 116.57 119.71 1pu7 h LYS 56 Ca 0.27 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1pu7 h LYS 56 Cb 0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1pu7 h LYS 56 CO -0.05 0.75 -0.08 -0.91 -0.57 0.00 0.00 179.45 178.60 1pu7 h ASN 57 N 0.20 0.00 -0.23 0.86 2.35 -0.87 -1.95 115.58 115.94 1pu7 h ASN 57 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1pu7 h ASN 57 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1pu7 h ASN 57 CO 0.03 0.08 0.00 0.00 -1.65 0.00 0.00 177.43 175.89 1pu7 n ALA 58 N -2.22 2.49 -1.02 -0.83 0.00 -0.33 -4.92 120.51 113.69 1pu7 n ALA 58 Ca -0.02 -0.63 -0.01 0.00 0.00 0.00 0.00 53.44 52.79 1pu7 n ALA 58 Cb 0.22 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.63 1pu7 n ALA 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pu7 n PHE 59 N 0.59 0.00 0.11 0.00 3.01 -0.73 -4.87 117.46 115.56 1pu7 n PHE 59 Ca 0.16 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.43 1pu7 n PHE 59 Cb 0.39 -0.96 -0.13 0.00 -0.01 0.00 0.00 39.48 38.77 1pu7 n PHE 59 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1pu7 h ILE 60 N 0.00 1.37 -3.66 4.37 2.04 -1.24 -3.43 117.51 116.96 1pu7 h ILE 60 Ca -0.01 -2.74 -0.67 0.00 1.00 0.00 0.00 64.86 62.44 1pu7 h ILE 60 Cb 0.46 2.84 -0.34 0.00 -0.74 0.00 0.00 36.82 39.04 1pu7 h ILE 60 CO 0.02 0.81 -0.76 -0.22 0.00 0.00 0.00 178.15 178.00 1pu7 s LEU 61 N -7.52 3.37 0.00 1.44 2.96 -0.99 -4.71 118.68 113.23 1pu7 s LEU 61 Ca -0.07 -1.14 0.00 0.00 -0.22 0.00 0.00 54.13 52.70 1pu7 s LEU 61 Cb 0.06 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 45.13 1pu7 s LEU 61 CO 0.91 -0.17 0.00 -0.62 -1.32 0.00 0.00 176.35 175.15 1pu7 n GLU 62 N 4.57 2.80 0.08 1.98 1.02 -1.26 -4.22 120.64 125.62 1pu7 n GLU 62 Ca -0.15 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.11 1pu7 n GLU 62 Cb 0.45 0.00 0.32 0.00 -0.02 0.00 0.00 31.44 32.18 1pu7 n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pu7 n ASN 63 N 0.00 0.74 -4.34 1.62 3.02 -1.26 -4.73 115.26 110.31 1pu7 n ASN 63 Ca 0.00 0.38 -0.40 0.00 -0.03 0.00 0.00 54.58 54.53 1pu7 n ASN 63 Cb 0.00 -0.39 -0.12 0.00 -0.61 0.00 0.00 39.78 38.67 1pu7 n ASN 63 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pu7 s ASP 64 N -4.33 5.60 0.53 6.41 3.68 -1.26 -4.98 116.67 122.32 1pu7 s ASP 64 Ca 0.09 -1.06 0.24 0.00 2.13 0.00 0.00 52.55 53.95 1pu7 s ASP 64 Cb 0.13 -1.97 1.48 0.00 -1.45 0.00 0.00 42.92 41.11 1pu7 s ASP 64 CO 0.65 -0.37 2.14 0.44 0.13 0.00 0.00 175.17 178.15 1pu7 h ASP 65 N 8.37 0.00 0.09 -0.34 3.45 -1.99 0.85 116.42 126.84 1pu7 h ASP 65 Ca -0.24 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.04 1pu7 h ASP 65 Cb 1.10 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.86 1pu7 h ASP 65 CO 0.65 0.07 -0.65 -0.33 -1.57 0.00 0.00 179.24 177.41 1pu7 h GLU 66 N 0.00 0.53 -0.37 3.56 4.39 -1.99 -1.27 114.58 119.43 1pu7 h GLU 66 Ca -0.00 -0.39 -0.14 0.00 0.34 0.00 0.00 59.36 59.17 1pu7 h GLU 66 Cb 0.17 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1pu7 h GLU 66 CO 0.01 1.01 -0.33 0.82 -1.16 0.00 0.00 179.01 179.36 1pu7 h ILE 67 N 0.39 1.28 -0.79 3.13 2.04 -1.73 -2.98 117.51 118.84 1pu7 h ILE 67 Ca -0.02 -1.50 0.04 0.00 1.00 0.00 0.00 64.86 64.38 1pu7 h ILE 67 Cb 1.22 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 38.65 1pu7 h ILE 67 CO 0.12 0.50 0.50 0.78 0.00 0.00 0.00 178.15 180.05 1pu7 h ASN 68 N 0.69 0.82 -0.27 1.72 -0.26 -0.70 0.48 115.58 118.06 1pu7 h ASN 68 Ca 0.06 -0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.78 1pu7 h ASN 68 Cb 0.92 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 1pu7 h ASN 68 CO 0.08 0.56 0.10 0.25 -1.06 0.00 0.00 177.43 177.36 1pu7 h LEU 69 N 0.97 0.39 -0.82 1.61 5.85 -1.19 -2.17 115.31 119.95 1pu7 h LEU 69 Ca 0.32 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1pu7 h LEU 69 Cb 0.03 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1pu7 h LEU 69 CO -0.12 0.47 0.08 0.11 -0.34 0.00 0.00 178.44 178.65 1pu7 h LYS 70 N 0.29 0.97 -0.66 1.25 1.57 -1.31 -0.72 116.57 117.95 1pu7 h LYS 70 Ca 0.09 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1pu7 h LYS 70 Cb 0.21 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1pu7 h LYS 70 CO -0.00 0.90 0.40 0.87 -0.57 0.00 0.00 179.45 181.05 1pu7 h LYS 71 N 0.91 0.89 0.04 3.15 1.57 -0.62 0.45 116.57 122.95 1pu7 h LYS 71 Ca 0.18 -0.07 -0.25 0.00 -1.87 0.00 0.00 60.65 58.64 1pu7 h LYS 71 Cb 0.42 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.55 1pu7 h LYS 71 CO 0.01 0.62 -1.05 0.82 -0.57 0.00 0.00 179.45 179.28 1pu7 h ILE 72 N 0.90 1.38 -0.64 1.86 1.08 -1.22 -0.54 117.51 120.34 1pu7 h ILE 72 Ca 0.24 -2.52 -0.03 0.00 -0.39 0.00 0.00 64.86 62.16 1pu7 h ILE 72 Cb -0.04 2.54 -0.03 0.00 -3.07 0.00 0.00 36.82 36.22 1pu7 h ILE 72 CO -0.05 0.75 0.28 0.00 -0.69 0.00 0.00 178.15 178.45 1pu7 h ALA 73 N 0.60 1.28 -0.01 1.87 0.00 -0.39 -3.26 119.26 119.35 1pu7 h ALA 73 Ca -0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1pu7 h ALA 73 Cb 1.71 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1pu7 h ALA 73 CO 0.19 0.54 -0.31 0.66 0.00 0.00 0.00 179.25 180.32 1pu7 n TYR 74 N -4.33 0.00 -1.68 0.00 4.01 0.08 -4.75 117.16 110.49 1pu7 n TYR 74 Ca 0.06 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.40 1pu7 n TYR 74 Cb 0.15 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.22 1pu7 n TYR 74 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 1pu7 n ILE 75 N 0.06 3.30 -2.04 -0.72 3.06 -0.21 -4.95 119.36 117.86 1pu7 n ILE 75 Ca 0.08 -0.50 -0.42 0.00 -2.50 0.00 0.00 62.75 59.41 1pu7 n ILE 75 Cb 0.38 -1.45 -0.03 0.00 0.54 0.00 0.00 39.64 39.08 1pu7 n ILE 75 CO 0.00 0.00 0.00 -1.83 -2.50 0.00 0.00 176.55 172.22 1pu7 s GLU 76 N -2.57 4.25 0.22 9.51 -1.05 -1.26 -4.91 118.70 122.89 1pu7 s GLU 76 Ca 0.69 2.22 -0.12 0.00 -0.15 0.00 0.00 54.97 57.61 1pu7 s GLU 76 Cb -0.46 -3.30 0.28 0.00 -0.44 0.00 0.00 34.13 30.21 1pu7 s GLU 76 CO 0.52 -0.57 1.63 0.35 0.95 0.00 0.00 175.26 178.14 1pu7 h PHE 77 N 7.16 -0.29 -0.86 4.83 3.04 -1.97 -2.02 116.94 126.83 1pu7 h PHE 77 Ca -0.42 0.06 -0.02 0.00 3.98 0.00 0.00 57.97 61.57 1pu7 h PHE 77 Cb 1.20 0.23 -0.04 0.00 2.56 0.00 0.00 35.95 39.91 1pu7 h PHE 77 CO 0.68 -0.27 0.46 0.66 -2.02 0.00 0.00 178.31 177.82 1pu7 h SER 78 N 0.02 1.09 -0.53 0.41 4.64 -2.00 -0.41 113.55 116.77 1pu7 h SER 78 Ca 0.33 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 1pu7 h SER 78 Cb 0.51 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1pu7 h SER 78 CO -0.67 0.88 0.26 0.50 -0.87 0.00 0.00 176.83 176.94 1pu7 h LYS 79 N 1.21 0.75 -0.34 4.77 3.64 -1.78 -2.28 116.57 122.55 1pu7 h LYS 79 Ca 0.30 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.44 1pu7 h LYS 79 Cb 0.04 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1pu7 h LYS 79 CO -0.05 0.61 -0.32 1.25 -2.27 0.00 0.00 179.45 178.68 1pu7 h LEU 80 N 0.70 0.87 -0.42 5.20 5.85 -0.87 -1.72 115.31 124.91 1pu7 h LEU 80 Ca 0.18 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 58.51 1pu7 h LEU 80 Cb 0.10 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 1pu7 h LEU 80 CO -0.02 1.15 0.05 0.00 -0.34 0.00 0.00 178.44 179.28 1pu7 h ALA 81 N 0.74 0.44 -0.19 1.25 0.00 -1.05 -1.84 119.26 118.61 1pu7 h ALA 81 Ca 0.06 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1pu7 h ALA 81 Cb 0.90 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1pu7 h ALA 81 CO 0.08 -0.35 -0.23 0.93 0.00 0.00 0.00 179.25 179.68 1pu7 h GLU 82 N 0.17 -0.26 -0.65 0.00 4.39 -1.20 -2.64 114.58 114.40 1pu7 h GLU 82 Ca 0.21 0.02 0.09 0.00 0.34 0.00 0.00 59.36 60.02 1pu7 h GLU 82 Cb 0.27 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 1pu7 h GLU 82 CO -0.30 -0.17 0.43 0.00 -1.16 0.00 0.00 179.01 177.81 1pu7 n VAL 84 N -4.48 1.17 -0.33 0.00 0.24 -0.76 -4.50 118.33 109.68 1pu7 n VAL 84 Ca 0.10 -1.01 0.12 0.00 -2.04 0.00 0.00 64.34 61.51 1pu7 n VAL 84 Cb 0.34 0.39 0.25 0.00 -1.47 0.00 0.00 33.84 33.36 1pu7 n VAL 84 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1pu7 h ARG 85 N 4.19 0.03 -0.75 7.34 2.43 -1.03 -2.35 114.38 124.23 1pu7 h ARG 85 Ca 0.00 -0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.32 1pu7 h ARG 85 Cb 1.08 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.58 1pu7 h ARG 85 CO 0.06 0.02 0.50 -1.35 -1.51 0.00 0.00 179.97 177.69 1pu7 h PRO 86 N 0.03 0.41 -0.67 0.20 0.11 -1.84 -1.99 132.00 128.24 1pu7 h PRO 86 Ca 0.56 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1pu7 h PRO 86 Cb 1.09 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1pu7 h PRO 86 CO -0.89 0.27 0.00 -1.13 -0.21 0.00 0.00 178.00 176.04 1pu7 n SER 87 N -4.48 4.45 -0.23 -2.05 3.41 -0.88 -4.81 113.62 109.03 1pu7 n SER 87 Ca 0.14 -2.33 0.03 0.00 -0.26 0.00 0.00 58.87 56.45 1pu7 n SER 87 Cb 0.52 -0.55 -0.01 0.00 -0.26 0.00 0.00 64.21 63.91 1pu7 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pu7 n GLY 88 N 1.26 -2.38 3.97 5.00 0.00 -0.75 -4.71 105.19 107.58 1pu7 n GLY 88 Ca 0.25 -1.41 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 1pu7 n GLY 88 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pu7 n PHE 89 N -2.59 -1.83 0.11 1.61 3.01 -1.26 -4.81 117.46 111.70 1pu7 n PHE 89 Ca -0.01 0.80 -0.02 0.00 1.01 0.00 0.00 57.45 59.23 1pu7 n PHE 89 Cb 0.11 -3.69 0.04 0.00 -0.01 0.00 0.00 39.48 35.93 1pu7 n PHE 89 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 1pu7 h TYR 90 N -1.81 0.00 -0.10 1.38 -0.00 -1.88 -0.68 116.97 113.89 1pu7 h TYR 90 Ca -0.61 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 57.98 1pu7 h TYR 90 Cb 1.37 0.00 0.01 0.00 0.00 0.00 0.00 36.73 38.11 1pu7 h TYR 90 CO 0.53 0.73 -0.51 -0.91 -0.00 0.00 0.00 178.16 178.01 1pu7 h ASN 91 N 0.00 0.62 -0.43 0.10 2.35 -1.87 -1.05 115.58 115.29 1pu7 h ASN 91 Ca -0.01 -0.64 -0.01 0.00 -0.55 0.00 0.00 56.30 55.09 1pu7 h ASN 91 Cb 1.41 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.58 1pu7 h ASN 91 CO 0.09 1.16 0.22 1.56 -1.65 0.00 0.00 177.43 178.82 1pu7 h GLN 92 N 0.11 0.61 -0.43 0.81 4.20 -1.90 -1.92 115.11 116.60 1pu7 h GLN 92 Ca -0.03 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.46 1pu7 h GLN 92 Cb 1.15 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1pu7 h GLN 92 CO 0.10 0.51 -0.26 0.87 -0.67 0.00 0.00 178.83 179.39 1pu7 h LYS 93 N 0.56 0.94 -0.24 1.46 1.57 -1.15 0.33 116.57 120.03 1pu7 h LYS 93 Ca 0.15 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1pu7 h LYS 93 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1pu7 h LYS 93 CO -0.02 1.09 0.13 0.00 -0.57 0.00 0.00 179.45 180.08 1pu7 h ALA 94 N 0.82 0.31 -0.75 3.86 0.00 -1.17 -0.55 119.26 121.78 1pu7 h ALA 94 Ca 0.09 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1pu7 h ALA 94 Cb 0.84 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1pu7 h ALA 94 CO 0.07 -0.15 0.48 -0.22 0.00 0.00 0.00 179.25 179.43 1pu7 h LYS 95 N 0.28 0.92 -0.71 0.00 1.63 -1.11 -1.02 116.57 116.55 1pu7 h LYS 95 Ca 0.08 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1pu7 h LYS 95 Cb 0.07 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 31.46 1pu7 h LYS 95 CO -0.01 0.61 0.45 0.00 -3.45 0.00 0.00 179.45 177.05 1pu7 h ARG 96 N 0.95 0.95 -0.31 1.90 3.08 -0.61 0.29 114.38 120.62 1pu7 h ARG 96 Ca 0.30 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 60.11 1pu7 h ARG 96 Cb -0.01 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 1pu7 h ARG 96 CO -0.10 0.65 -0.47 -0.07 -1.07 0.00 0.00 179.97 178.91 1pu7 h LEU 97 N 0.97 0.92 -0.12 3.04 3.38 -0.84 -0.54 115.31 122.11 1pu7 h LEU 97 Ca 0.26 -0.46 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 1pu7 h LEU 97 Cb -0.07 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.42 1pu7 h LEU 97 CO -0.05 1.24 -0.40 0.40 0.09 0.00 0.00 178.44 179.71 1pu7 h ILE 98 N 0.67 1.37 -0.22 1.22 2.04 -0.85 -0.80 117.51 120.93 1pu7 h ILE 98 Ca 0.04 -1.71 0.01 0.00 1.00 0.00 0.00 64.86 64.20 1pu7 h ILE 98 Cb 1.06 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 39.24 1pu7 h ILE 98 CO 0.11 0.51 0.11 0.44 0.00 0.00 0.00 178.15 179.32 1pu7 h ASP 99 N 0.09 0.18 0.22 1.72 3.32 -0.98 -1.79 116.42 119.18 1pu7 h ASP 99 Ca -0.02 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1pu7 h ASP 99 Cb 1.03 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1pu7 h ASP 99 CO 0.09 0.13 -0.11 0.25 -1.72 0.00 0.00 179.24 177.88 1pu7 h LEU 100 N 0.24 -0.25 -0.86 1.55 5.85 -1.04 -0.95 115.31 119.85 1pu7 h LEU 100 Ca 0.09 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1pu7 h LEU 100 Cb 0.01 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1pu7 h LEU 100 CO -0.06 -0.17 0.56 0.28 -0.34 0.00 0.00 178.44 178.72 1pu7 h SER 101 N -0.31 1.00 -0.14 1.25 0.02 -1.11 0.28 113.55 114.55 1pu7 h SER 101 Ca -0.03 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 1pu7 h SER 101 Cb 0.24 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1pu7 h SER 101 CO 0.05 0.73 -0.22 1.23 -1.14 0.00 0.00 176.83 177.48 1pu7 h GLY 102 N 1.17 0.62 1.75 -3.77 0.00 -1.18 -2.04 103.07 99.63 1pu7 h GLY 102 Ca 0.32 -0.51 -0.17 0.00 0.00 0.00 0.00 47.33 46.97 1pu7 h GLY 102 CO -0.07 0.46 -0.70 3.43 0.00 0.00 0.00 176.54 179.67 1pu7 h ASN 103 N 0.51 0.29 -0.33 0.19 2.35 -0.66 -1.60 115.58 116.34 1pu7 h ASN 103 Ca 0.08 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1pu7 h ASN 103 Cb 0.66 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1pu7 h ASN 103 CO 0.05 0.90 0.19 0.40 -1.65 0.00 0.00 177.43 177.31 1pu7 h ILE 104 N 0.17 1.13 -0.53 2.81 2.04 -0.83 0.58 117.51 122.89 1pu7 h ILE 104 Ca -0.02 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1pu7 h ILE 104 Cb 1.25 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1pu7 h ILE 104 CO 0.11 0.13 0.31 -0.07 0.00 0.00 0.00 178.15 178.63 1pu7 h LEU 105 N 0.42 0.64 -0.27 1.44 3.38 -1.29 0.12 115.31 119.75 1pu7 h LEU 105 Ca 0.12 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1pu7 h LEU 105 Cb 0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1pu7 h LEU 105 CO -0.02 0.52 0.16 0.50 0.09 0.00 0.00 178.44 179.68 1pu7 h LYS 106 N 0.70 0.37 0.00 1.13 3.64 -1.08 -0.81 116.57 120.51 1pu7 h LYS 106 Ca 0.19 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.36 1pu7 h LYS 106 Cb 0.00 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1pu7 h LYS 106 CO -0.03 0.30 -1.63 -0.25 -2.27 0.00 0.00 179.45 175.57 1pu7 n ASP 107 N -4.86 0.61 0.00 4.20 10.43 0.18 -4.56 116.55 122.55 1pu7 n ASP 107 Ca -0.02 0.27 0.00 0.00 2.57 0.00 0.00 54.79 57.61 1pu7 n ASP 107 Cb 0.06 0.54 0.00 0.00 1.84 0.00 0.00 41.12 43.57 1pu7 n ASP 107 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1pu7 n PHE 108 N -2.77 0.00 0.00 1.24 3.72 0.40 -5.03 117.46 115.02 1pu7 n PHE 108 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1pu7 n PHE 108 Cb 0.84 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.38 1pu7 n PHE 108 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1pu7 n GLN 109 N -0.88 0.00 -3.84 -1.08 3.00 -0.31 -4.40 117.38 109.87 1pu7 n GLN 109 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 1pu7 n GLN 109 Cb 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 30.24 29.68 1pu7 n GLN 109 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1pu7 s SER 110 N 0.00 0.04 0.21 1.08 1.04 -1.26 -4.83 113.70 109.98 1pu7 s SER 110 Ca 0.00 -0.64 -0.01 0.00 0.48 0.00 0.00 55.95 55.77 1pu7 s SER 110 Cb 0.00 0.39 0.19 0.00 0.10 0.00 0.00 66.02 66.69 1pu7 s SER 110 CO 0.00 -0.79 1.56 0.15 0.98 0.00 0.00 173.24 175.14 1pu7 h PHE 111 N 2.63 0.64 -0.18 5.02 3.57 -1.89 -0.43 116.94 126.30 1pu7 h PHE 111 Ca -0.33 -0.21 -0.00 0.00 3.53 0.00 0.00 57.97 60.96 1pu7 h PHE 111 Cb 1.22 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1pu7 h PHE 111 CO 0.40 0.90 0.10 1.49 -2.23 0.00 0.00 178.31 178.97 1pu7 h GLU 112 N 0.42 0.26 -0.04 1.11 4.81 -1.95 0.05 114.58 119.23 1pu7 h GLU 112 Ca 0.02 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1pu7 h GLU 112 Cb 0.98 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 1pu7 h GLU 112 CO 0.09 0.26 0.02 -0.97 -0.73 0.00 0.00 179.01 177.68 1pu7 h ASN 113 N 0.19 0.06 -0.80 1.04 -1.24 -1.81 -2.86 115.58 110.15 1pu7 h ASN 113 Ca 0.06 -0.10 0.13 0.00 0.71 0.00 0.00 56.30 57.10 1pu7 h ASN 113 Cb 0.08 -0.01 -0.14 0.00 0.73 0.00 0.00 38.32 38.98 1pu7 h ASN 113 CO -0.01 0.14 -0.37 0.15 -1.29 0.00 0.00 177.43 176.05 1pu7 h PHE 114 N -0.03 -1.05 -0.66 0.67 3.57 -0.97 0.59 116.94 119.06 1pu7 h PHE 114 Ca 0.02 0.09 0.13 0.00 3.53 0.00 0.00 57.97 61.74 1pu7 h PHE 114 Cb 0.10 0.58 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 1pu7 h PHE 114 CO -0.04 -0.40 0.45 0.87 -2.23 0.00 0.00 178.31 176.96 1pu7 h LYS 115 N -0.08 0.33 0.18 1.11 1.57 -0.76 0.97 116.57 119.89 1pu7 h LYS 115 Ca 0.28 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.73 1pu7 h LYS 115 Cb 0.57 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.82 1pu7 h LYS 115 CO -0.84 0.22 -1.44 0.37 -0.57 0.00 0.00 179.45 177.19 1pu7 h GLN 116 N 0.34 0.39 0.00 3.15 4.15 -1.14 -3.41 115.11 118.59 1pu7 h GLN 116 Ca 0.32 -0.66 0.00 0.00 0.77 0.00 0.00 58.65 59.08 1pu7 h GLN 116 Cb 0.76 0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.70 1pu7 h GLN 116 CO -0.08 1.30 -1.22 0.39 -1.93 0.00 0.00 178.83 177.29 1pu7 n GLU 117 N -3.60 1.30 -1.81 1.69 -0.58 0.10 -5.02 120.64 112.73 1pu7 n GLU 117 Ca -0.15 -0.07 -0.39 0.00 -0.42 0.00 0.00 57.16 56.13 1pu7 n GLU 117 Cb 1.07 -1.26 0.03 0.00 -0.57 0.00 0.00 31.44 30.71 1pu7 n GLU 117 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pu7 s VAL 118 N -2.69 2.12 0.27 2.62 0.11 0.28 -5.03 120.40 118.09 1pu7 s VAL 118 Ca -0.01 0.09 0.10 0.00 -2.93 0.00 0.00 61.98 59.24 1pu7 s VAL 118 Cb 0.10 -3.05 -0.05 0.00 -1.53 0.00 0.00 36.38 31.85 1pu7 s VAL 118 CO 0.58 0.00 -0.16 0.42 -3.33 0.00 0.00 175.10 172.61 1pu7 s THR 119 N -1.29 2.22 0.26 5.04 -4.23 -1.26 -5.03 115.64 111.35 1pu7 s THR 119 Ca 0.69 -2.31 -0.03 0.00 -1.18 0.00 0.00 61.69 58.86 1pu7 s THR 119 Cb -0.41 -2.32 0.24 0.00 1.34 0.00 0.00 72.50 71.36 1pu7 s THR 119 CO 0.49 -0.40 1.83 -0.09 -0.54 0.00 0.00 174.62 175.91 1pu7 h ARG 120 N 2.29 0.90 -0.35 3.99 2.43 -1.95 -2.41 114.38 119.28 1pu7 h ARG 120 Ca -0.40 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 58.62 1pu7 h ARG 120 Cb 1.25 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 1pu7 h ARG 120 CO 0.63 0.59 -0.18 0.93 -1.51 0.00 0.00 179.97 180.44 1pu7 h GLU 121 N 0.93 0.65 -0.35 0.20 3.07 -1.98 0.68 114.58 117.77 1pu7 h GLU 121 Ca 0.43 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1pu7 h GLU 121 Cb 0.35 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1pu7 h GLU 121 CO -0.23 0.79 0.22 2.35 -1.40 0.00 0.00 179.01 180.73 1pu7 h TRP 122 N 0.58 0.45 -0.56 4.33 7.01 -1.85 -1.76 115.95 124.15 1pu7 h TRP 122 Ca 0.09 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.07 1pu7 h TRP 122 Cb 0.63 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.51 1pu7 h TRP 122 CO 0.03 0.31 0.25 -0.07 -2.79 0.00 0.00 178.44 176.17 1pu7 h LEU 123 N 0.46 0.76 -2.31 0.65 3.38 -1.09 -2.18 115.31 114.97 1pu7 h LEU 123 Ca 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1pu7 h LEU 123 Cb -0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1pu7 h LEU 123 CO -0.02 0.70 -0.04 -0.07 0.09 0.00 0.00 178.44 179.10 1pu7 h LEU 124 N 0.76 0.00 -0.46 1.67 3.38 -0.64 -0.98 115.31 119.04 1pu7 h LEU 124 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1pu7 h LEU 124 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1pu7 h LEU 124 CO -0.02 0.04 -0.04 0.47 0.09 0.00 0.00 178.44 178.97 1pu7 n ASP 125 N -3.34 0.77 -4.66 -0.43 10.43 -0.68 -4.78 116.55 113.86 1pu7 n ASP 125 Ca -0.02 -1.08 -0.40 0.00 2.57 0.00 0.00 54.79 55.86 1pu7 n ASP 125 Cb 0.17 -0.01 -0.06 0.00 1.84 0.00 0.00 41.12 43.06 1pu7 n ASP 125 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1pu7 s GLN 126 N -2.15 4.21 0.01 -1.24 -1.52 -0.37 -5.00 119.66 113.60 1pu7 s GLN 126 Ca 0.38 0.68 -0.36 0.00 -1.95 0.00 0.00 55.36 54.11 1pu7 s GLN 126 Cb 0.21 -3.59 -0.14 0.00 -0.22 0.00 0.00 33.01 29.27 1pu7 s GLN 126 CO 0.39 -0.28 1.61 1.17 -0.25 0.00 0.00 175.29 177.93 1pu7 n LYS 127 N 5.19 1.72 -0.67 2.91 3.00 -1.26 -1.64 118.16 127.40 1pu7 n LYS 127 Ca -0.00 0.63 0.00 0.00 -0.00 0.00 0.00 58.31 58.93 1pu7 n LYS 127 Cb 0.49 -2.36 0.00 0.00 0.00 0.00 0.00 35.03 33.16 1pu7 n LYS 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pu7 n GLY 128 N 3.52 1.14 3.46 3.14 0.00 -1.26 -4.79 105.19 110.40 1pu7 n GLY 128 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1pu7 n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pu7 s ILE 129 N -3.47 5.20 0.31 -0.61 -1.09 -0.65 -5.06 121.20 115.82 1pu7 s ILE 129 Ca 0.00 -0.62 0.02 0.00 -2.23 0.00 0.00 60.65 57.82 1pu7 s ILE 129 Cb 0.00 -3.86 0.06 0.00 -1.58 0.00 0.00 42.46 37.07 1pu7 s ILE 129 CO 0.00 -0.26 0.42 0.61 -1.23 0.00 0.00 174.94 174.48 1pu7 n GLY 130 N 5.14 1.19 0.20 6.18 0.00 -1.26 -4.48 105.19 112.15 1pu7 n GLY 130 Ca -0.11 -2.06 -0.06 0.00 0.00 0.00 0.00 46.02 43.79 1pu7 n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pu7 h LYS 131 N 0.00 0.58 -0.06 1.61 1.57 -1.98 0.76 116.57 119.05 1pu7 h LYS 131 Ca -0.14 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1pu7 h LYS 131 Cb 0.57 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1pu7 h LYS 131 CO 0.17 0.38 0.04 1.49 -0.57 0.00 0.00 179.45 180.96 1pu7 h GLU 132 N 0.60 0.08 -0.27 3.15 4.81 -1.96 0.06 114.58 121.06 1pu7 h GLU 132 Ca 0.20 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.27 1pu7 h GLU 132 Cb 0.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1pu7 h GLU 132 CO -0.08 0.09 -0.44 0.77 -0.73 0.00 0.00 179.01 178.62 1pu7 h SER 133 N 0.05 0.72 -0.39 1.04 0.02 -1.80 -0.64 113.55 112.55 1pu7 h SER 133 Ca 0.02 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.65 1pu7 h SER 133 Cb 0.03 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1pu7 h SER 133 CO -0.00 1.06 0.23 0.00 -1.14 0.00 0.00 176.83 176.97 1pu7 h ALA 134 N 0.97 0.49 -0.26 3.77 0.00 -0.71 -0.91 119.26 122.60 1pu7 h ALA 134 Ca 0.04 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1pu7 h ALA 134 Cb 0.98 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1pu7 h ALA 134 CO 0.09 -0.11 -0.41 -0.44 0.00 0.00 0.00 179.25 178.39 1pu7 h ASP 135 N 0.46 0.66 -0.79 0.00 3.45 -0.81 -0.81 116.42 118.58 1pu7 h ASP 135 Ca 0.16 -0.30 -0.04 0.00 0.43 0.00 0.00 57.03 57.27 1pu7 h ASP 135 Cb 0.01 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 38.56 1pu7 h ASP 135 CO -0.07 0.99 0.32 0.00 -1.57 0.00 0.00 179.24 178.91 1pu7 h ALA 136 N 1.04 1.03 -0.13 3.45 0.00 -0.85 0.18 119.26 123.98 1pu7 h ALA 136 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1pu7 h ALA 136 Cb 0.92 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1pu7 h ALA 136 CO 0.08 0.65 0.08 0.82 0.00 0.00 0.00 179.25 180.89 1pu7 h ILE 137 N 1.15 1.03 -0.02 0.00 2.04 -0.84 0.18 117.51 121.05 1pu7 h ILE 137 Ca 0.27 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 66.09 1pu7 h ILE 137 Cb 0.21 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1pu7 h ILE 137 CO -0.02 0.03 -0.13 -0.07 0.00 0.00 0.00 178.15 177.96 1pu7 h LEU 138 N 0.17 -0.38 0.02 1.44 3.38 -0.82 -0.17 115.31 118.95 1pu7 h LEU 138 Ca 0.05 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1pu7 h LEU 138 Cb -0.02 0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1pu7 h LEU 138 CO -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 178.44 178.33 1pu7 h TYR 140 N -0.93 0.00 0.05 0.00 0.05 -0.72 -1.90 116.97 113.52 1pu7 h TYR 140 Ca -0.00 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.42 1pu7 h TYR 140 Cb 0.76 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.46 1pu7 h TYR 140 CO 0.20 0.66 -2.13 0.00 -1.05 0.00 0.00 178.16 175.85 1pu7 n ALA 141 N -2.37 1.25 0.73 3.88 0.00 -0.56 0.76 120.51 124.21 1pu7 n ALA 141 Ca -0.06 -0.88 0.08 0.00 0.00 0.00 0.00 53.44 52.58 1pu7 n ALA 141 Cb 0.85 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1pu7 n ALA 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pu7 n ALA 143 N -0.06 -0.98 -2.14 0.00 0.00 -0.69 -4.91 120.51 111.72 1pu7 n ALA 143 Ca 0.07 0.27 -0.31 0.00 0.00 0.00 0.00 53.44 53.47 1pu7 n ALA 143 Cb 0.35 -3.81 -0.04 0.00 0.00 0.00 0.00 19.45 15.95 1pu7 n ALA 143 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pu7 s LYS 144 N -5.73 3.84 -1.23 0.00 -0.14 -0.00 -4.81 119.74 111.67 1pu7 s LYS 144 Ca 0.31 0.55 -0.17 0.00 -1.36 0.00 0.00 55.97 55.31 1pu7 s LYS 144 Cb -0.14 -2.38 0.11 0.00 -1.68 0.00 0.00 37.83 33.74 1pu7 s LYS 144 CO 0.38 -0.01 1.59 -1.21 -0.76 0.00 0.00 175.35 175.34 1pu7 s GLU 145 N -3.68 3.98 -0.03 1.68 2.02 -1.26 -4.32 118.70 117.09 1pu7 s GLU 145 Ca 0.53 -2.13 -0.00 0.00 0.02 0.00 0.00 54.97 53.38 1pu7 s GLU 145 Cb -0.10 -5.33 0.03 0.00 0.10 0.00 0.00 34.13 28.83 1pu7 s GLU 145 CO 0.28 -2.06 0.04 0.08 0.02 0.00 0.00 175.26 173.62 1pu7 s VAL 146 N 3.29 -0.07 -0.33 2.63 1.01 -1.26 -5.00 120.40 120.67 1pu7 s VAL 146 Ca 0.49 0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.56 1pu7 s VAL 146 Cb 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 1pu7 s VAL 146 CO 0.03 0.10 0.34 -0.32 0.00 0.00 0.00 175.10 175.25 1pu7 s MET 147 N 1.20 3.62 0.16 2.72 1.75 -1.26 -4.65 119.30 122.85 1pu7 s MET 147 Ca -0.08 -0.39 -0.31 0.00 -1.25 0.00 0.00 55.69 53.67 1pu7 s MET 147 Cb -0.13 -3.78 -0.08 0.00 2.84 0.00 0.00 34.83 33.68 1pu7 s MET 147 CO -0.03 -0.47 1.37 0.08 -0.65 0.00 0.00 175.02 175.32 1pu7 s VAL 148 N 1.97 3.18 0.49 10.11 1.01 -1.26 -4.88 120.40 131.03 1pu7 s VAL 148 Ca 0.11 0.91 0.02 0.00 0.00 0.00 0.00 61.98 63.02 1pu7 s VAL 148 Cb -0.17 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1pu7 s VAL 148 CO 0.11 0.10 0.01 0.68 0.00 0.00 0.00 175.10 176.00 1pu7 s VAL 149 N 0.62 1.34 -0.03 2.92 -7.23 -1.26 -4.79 120.40 111.97 1pu7 s VAL 149 Ca 0.61 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.51 1pu7 s VAL 149 Cb -0.37 -2.33 0.09 0.00 0.56 0.00 0.00 36.38 34.32 1pu7 s VAL 149 CO 0.34 0.00 1.26 -0.90 -0.31 0.00 0.00 175.10 175.50 1pu7 n ASP 150 N -1.21 -1.16 -0.24 4.85 3.85 -1.26 -4.70 116.55 116.69 1pu7 n ASP 150 Ca -0.16 -1.22 -0.03 0.00 -0.71 0.00 0.00 54.79 52.67 1pu7 n ASP 150 Cb 0.67 1.79 0.08 0.00 -1.35 0.00 0.00 41.12 42.31 1pu7 n ASP 150 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 1pu7 h LYS 151 N 0.00 0.76 -0.43 0.11 3.64 -2.01 -2.03 116.57 116.61 1pu7 h LYS 151 Ca -0.21 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1pu7 h LYS 151 Cb 1.15 -0.17 -0.09 0.00 -0.41 0.00 0.00 32.23 32.70 1pu7 h LYS 151 CO 0.30 0.50 -0.27 1.88 -2.27 0.00 0.00 179.45 179.59 1pu7 h TYR 152 N 0.78 -0.71 -0.61 1.91 0.99 -1.97 -1.29 116.97 116.06 1pu7 h TYR 152 Ca 0.28 0.05 -0.03 0.00 2.00 0.00 0.00 58.73 61.04 1pu7 h TYR 152 Cb 0.08 0.38 -0.03 0.00 1.00 0.00 0.00 36.73 38.16 1pu7 h TYR 152 CO -0.06 -0.34 0.28 0.77 -0.00 0.00 0.00 178.16 178.81 1pu7 h SER 153 N -0.18 0.82 -0.28 3.88 0.02 -1.83 -0.35 113.55 115.62 1pu7 h SER 153 Ca 0.20 -0.15 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1pu7 h SER 153 Cb 0.50 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 1pu7 h SER 153 CO -0.54 0.74 0.04 0.22 -1.14 0.00 0.00 176.83 176.15 1pu7 h TYR 154 N 0.84 0.07 -0.16 3.45 3.20 -1.07 -1.69 116.97 121.61 1pu7 h TYR 154 Ca 0.21 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.95 1pu7 h TYR 154 Cb 0.15 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1pu7 h TYR 154 CO 0.00 0.01 -0.52 -0.07 -1.64 0.00 0.00 178.16 175.94 1pu7 h LEU 155 N 0.14 0.49 0.32 2.82 3.38 -0.92 -1.67 115.31 119.88 1pu7 h LEU 155 Ca 0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1pu7 h LEU 155 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1pu7 h LEU 155 CO -0.19 0.92 -0.23 0.15 0.09 0.00 0.00 178.44 179.19 1pu7 h PHE 156 N 0.35 -0.60 -0.77 1.13 3.04 -0.96 -1.94 116.94 117.20 1pu7 h PHE 156 Ca 0.01 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.90 1pu7 h PHE 156 Cb 1.03 0.22 -0.03 0.00 2.56 0.00 0.00 35.95 39.72 1pu7 h PHE 156 CO 0.03 -0.35 0.27 -0.07 -2.02 0.00 0.00 178.31 176.18 1pu7 h LEU 157 N -0.54 1.10 -1.28 0.59 3.38 -1.29 -3.02 115.31 114.25 1pu7 h LEU 157 Ca -0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1pu7 h LEU 157 Cb 0.46 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1pu7 h LEU 157 CO 0.01 1.00 0.42 0.50 0.09 0.00 0.00 178.44 180.46 1pu7 h LYS 158 N 1.14 0.91 -0.45 1.13 3.64 -0.90 0.29 116.57 122.33 1pu7 h LYS 158 Ca 0.25 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1pu7 h LYS 158 Cb 0.27 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1pu7 h LYS 158 CO -0.01 0.63 0.30 -0.22 -2.27 0.00 0.00 179.45 177.87 1pu7 h LYS 159 N 0.93 0.54 -0.14 1.90 1.63 -1.22 -2.62 116.57 117.58 1pu7 h LYS 159 Ca 0.25 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1pu7 h LYS 159 Cb -0.06 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.45 1pu7 h LYS 159 CO -0.05 0.35 0.00 1.28 -3.45 0.00 0.00 179.45 177.59 1pu7 n LEU 160 N -4.47 1.75 0.00 5.20 4.77 0.03 -4.91 117.00 119.37 1pu7 n LEU 160 Ca 0.04 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1pu7 n LEU 160 Cb 0.10 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1pu7 n LEU 160 CO 0.35 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1pu7 n GLY 161 N 1.16 1.00 3.11 -0.72 0.00 -0.92 -5.08 105.19 103.75 1pu7 n GLY 161 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1pu7 n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pu7 s ILE 162 N -2.00 2.16 -0.36 -0.61 1.01 -0.84 -5.00 121.20 115.56 1pu7 s ILE 162 Ca 0.00 -1.15 -0.09 0.00 0.00 0.00 0.00 60.65 59.42 1pu7 s ILE 162 Cb 0.00 -2.03 0.04 0.00 0.01 0.00 0.00 42.46 40.48 1pu7 s ILE 162 CO 0.00 0.35 0.16 -1.61 0.00 0.00 0.00 174.94 173.84 1pu7 s GLU 163 N 1.24 2.70 -0.39 2.79 2.02 -1.26 -2.34 118.70 123.46 1pu7 s GLU 163 Ca 0.01 -1.17 0.01 0.00 0.02 0.00 0.00 54.97 53.84 1pu7 s GLU 163 Cb -0.15 -3.61 0.12 0.00 0.10 0.00 0.00 34.13 30.58 1pu7 s GLU 163 CO -0.10 -0.71 0.16 0.42 0.02 0.00 0.00 175.26 175.05 1pu7 s ILE 164 N 1.47 1.42 0.15 -1.63 1.01 -1.26 -5.00 121.20 117.35 1pu7 s ILE 164 Ca 0.00 -2.17 -0.09 0.00 0.00 0.00 0.00 60.65 58.39 1pu7 s ILE 164 Cb -0.20 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 1pu7 s ILE 164 CO 0.04 -0.77 1.47 -0.33 0.00 0.00 0.00 174.94 175.35 1pu7 h GLU 165 N 7.31 0.84 -6.39 2.79 5.08 -1.97 -3.43 114.58 118.81 1pu7 h GLU 165 Ca -0.06 -0.48 -0.54 0.00 -1.00 0.00 0.00 59.36 57.28 1pu7 h GLU 165 Cb 0.97 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1pu7 h GLU 165 CO 0.50 1.11 0.81 0.34 -1.00 0.00 0.00 179.01 180.77 1pu7 s ASP 166 N -6.89 6.87 0.16 1.42 2.15 -1.26 -4.93 116.67 114.19 1pu7 s ASP 166 Ca -0.10 2.11 -0.23 0.00 0.43 0.00 0.00 52.55 54.75 1pu7 s ASP 166 Cb 0.11 -2.56 0.04 0.00 -0.30 0.00 0.00 42.92 40.21 1pu7 s ASP 166 CO 0.87 -0.70 1.60 0.22 -0.17 0.00 0.00 175.17 177.00 1pu7 h TYR 167 N 7.70 -0.87 -0.54 -5.34 3.20 -2.00 -0.74 116.97 118.38 1pu7 h TYR 167 Ca -0.38 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.51 1pu7 h TYR 167 Cb 1.18 0.43 -0.02 0.00 1.54 0.00 0.00 36.73 39.86 1pu7 h TYR 167 CO 0.74 -0.38 0.19 -0.44 -1.64 0.00 0.00 178.16 176.64 1pu7 h ASP 168 N -0.28 0.76 -0.84 -2.11 3.45 -1.98 -0.14 116.42 115.28 1pu7 h ASP 168 Ca 0.15 -0.19 -0.02 0.00 0.43 0.00 0.00 57.03 57.41 1pu7 h ASP 168 Cb 0.53 -0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 39.06 1pu7 h ASP 168 CO -0.49 0.74 0.47 -0.33 -1.57 0.00 0.00 179.24 178.06 1pu7 h GLU 169 N 0.73 1.18 -0.03 3.56 5.08 -1.92 -0.75 114.58 122.43 1pu7 h GLU 169 Ca 0.18 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1pu7 h GLU 169 Cb 0.23 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1pu7 h GLU 169 CO -0.01 0.86 0.01 1.25 -1.00 0.00 0.00 179.01 180.12 1pu7 h LEU 170 N 1.18 0.04 -0.56 1.33 6.46 -0.53 -0.22 115.31 123.02 1pu7 h LEU 170 Ca 0.30 -0.16 0.04 0.00 -0.12 0.00 0.00 57.88 57.94 1pu7 h LEU 170 Cb 0.02 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 39.89 1pu7 h LEU 170 CO -0.05 0.19 0.30 -0.61 -0.62 0.00 0.00 178.44 177.65 1pu7 h GLN 171 N -0.11 0.56 -0.91 1.25 4.15 -0.96 -2.16 115.11 116.93 1pu7 h GLN 171 Ca 0.01 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.44 1pu7 h GLN 171 Cb 0.16 -0.13 -0.06 0.00 0.21 0.00 0.00 27.48 27.67 1pu7 h GLN 171 CO -0.00 0.37 0.58 1.25 -1.93 0.00 0.00 178.83 179.10 1pu7 h HIS 172 N 0.58 1.08 -0.64 3.99 2.76 -0.85 0.41 115.15 122.47 1pu7 h HIS 172 Ca 0.24 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.48 1pu7 h HIS 172 Cb 0.12 -0.36 -0.05 0.00 1.55 0.00 0.00 27.41 28.68 1pu7 h HIS 172 CO -0.09 0.60 0.38 0.35 -1.30 0.00 0.00 177.93 177.87 1pu7 h PHE 173 N 1.10 0.71 -0.22 5.26 3.04 -0.43 1.00 116.94 127.39 1pu7 h PHE 173 Ca 0.37 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.26 1pu7 h PHE 173 Cb 0.07 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.35 1pu7 h PHE 173 CO -0.02 0.38 -0.19 0.74 -2.02 0.00 0.00 178.31 177.20 1pu7 h PHE 174 N 0.73 0.62 -0.59 0.41 0.04 -0.82 -3.17 116.94 114.17 1pu7 h PHE 174 Ca 0.27 -0.18 -0.07 0.00 2.80 0.00 0.00 57.97 60.80 1pu7 h PHE 174 Cb 0.09 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 1pu7 h PHE 174 CO -0.06 0.85 0.11 0.93 -0.60 0.00 0.00 178.31 179.53 1pu7 h GLU 175 N 0.21 0.96 -0.33 1.51 5.08 -0.80 -3.26 114.58 117.96 1pu7 h GLU 175 Ca 0.04 -0.25 0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1pu7 h GLU 175 Cb 0.73 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 1pu7 h GLU 175 CO 0.05 0.91 0.03 -0.22 -1.00 0.00 0.00 179.01 178.78 1pu7 h LYS 176 N 0.86 0.13 -0.68 2.33 3.64 -0.82 0.13 116.57 122.18 1pu7 h LYS 176 Ca 0.18 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1pu7 h LYS 176 Cb 0.40 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1pu7 h LYS 176 CO 0.01 0.09 0.17 0.78 -2.27 0.00 0.00 179.45 178.23 1pu7 h GLY 177 N 0.14 1.15 0.71 5.01 0.00 -1.59 0.13 103.07 108.62 1pu7 h GLY 177 Ca 0.16 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 1pu7 h GLY 177 CO -0.23 0.65 -0.08 -2.08 0.00 0.00 0.00 176.54 174.79 1pu7 h VAL 178 N 1.02 1.34 -0.88 4.60 2.07 -1.51 -2.84 116.25 120.04 1pu7 h VAL 178 Ca 0.22 -1.18 0.07 0.00 0.82 0.00 0.00 66.70 66.63 1pu7 h VAL 178 Cb 0.34 1.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 1pu7 h VAL 178 CO -0.00 0.34 0.55 1.56 0.02 0.00 0.00 177.57 180.04 1pu7 h GLN 179 N -0.10 0.96 0.00 1.57 4.20 -0.48 -0.50 115.11 120.76 1pu7 h GLN 179 Ca 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1pu7 h GLN 179 Cb 0.57 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1pu7 h GLN 179 CO 0.02 0.64 0.00 0.39 -0.67 0.00 0.00 178.83 179.21 1pu7 n GLU 180 N -4.61 0.13 -2.35 1.46 1.02 0.01 -3.14 120.64 113.17 1pu7 n GLU 180 Ca 0.13 0.06 -0.04 0.00 -0.02 0.00 0.00 57.16 57.30 1pu7 n GLU 180 Cb 0.19 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.15 1pu7 n GLU 180 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pu7 n ASN 181 N -1.42 2.12 0.00 1.62 3.02 -0.72 -4.97 115.26 114.91 1pu7 n ASN 181 Ca 0.08 -2.44 -0.09 0.00 -0.03 0.00 0.00 54.58 52.10 1pu7 n ASN 181 Cb 0.26 -0.43 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 1pu7 n ASN 181 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1pu7 h LEU 182 N 2.18 -0.54 -0.53 3.41 5.85 -1.07 0.52 115.31 125.13 1pu7 h LEU 182 Ca -0.05 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1pu7 h LEU 182 Cb 1.41 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.67 1pu7 h LEU 182 CO 0.27 -0.22 0.23 0.78 -0.34 0.00 0.00 178.44 179.16 1pu7 h ASN 183 N -0.22 0.72 -0.09 1.25 2.35 -1.89 -0.30 115.58 117.40 1pu7 h ASN 183 Ca 0.10 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 1pu7 h ASN 183 Cb 0.36 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1pu7 h ASN 183 CO -0.26 0.68 -0.31 0.28 -1.65 0.00 0.00 177.43 176.17 1pu7 h SER 184 N 0.72 0.59 -0.06 5.81 0.02 -1.87 0.41 113.55 119.17 1pu7 h SER 184 Ca 0.18 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1pu7 h SER 184 Cb 0.17 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1pu7 h SER 184 CO -0.02 0.86 0.03 0.00 -1.14 0.00 0.00 176.83 176.56 1pu7 h ALA 185 N 1.17 0.07 0.00 3.77 0.00 -0.57 -2.12 119.26 121.58 1pu7 h ALA 185 Ca 0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1pu7 h ALA 185 Cb 0.78 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1pu7 h ALA 185 CO 0.06 -0.36 -0.31 -0.07 0.00 0.00 0.00 179.25 178.57 1pu7 h LEU 186 N -0.04 0.00 -1.59 0.00 3.38 -0.87 -2.14 115.31 114.04 1pu7 h LEU 186 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1pu7 h LEU 186 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1pu7 h LEU 186 CO -0.00 0.31 -0.05 0.00 0.09 0.00 0.00 178.44 178.78 1pu7 h ALA 187 N 1.69 1.03 -0.04 1.53 0.00 -0.57 -2.18 119.26 120.72 1pu7 h ALA 187 Ca -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1pu7 h ALA 187 Cb 0.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1pu7 h ALA 187 CO 0.04 0.07 0.09 -0.07 0.00 0.00 0.00 179.25 179.38 1pu7 h LEU 188 N 0.00 0.00 0.00 0.00 3.38 -0.71 -3.29 115.31 114.68 1pu7 h LEU 188 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pu7 h LEU 188 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1pu7 h LEU 188 CO 0.01 0.00 -0.30 -1.22 0.09 0.00 0.00 178.44 177.02 1pu7 n TYR 189 N -3.41 0.00 0.00 1.13 4.02 -0.96 -5.12 117.16 112.81 1pu7 n TYR 189 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1pu7 n TYR 189 Cb 0.17 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 1pu7 n TYR 189 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1pu7 n GLU 190 N -3.16 0.00 -2.39 -0.72 -0.00 -0.86 -4.78 120.64 108.74 1pu7 n GLU 190 Ca -0.04 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.13 1pu7 n GLU 190 Cb 0.16 0.00 0.04 0.00 -0.00 0.00 0.00 31.44 31.64 1pu7 n GLU 190 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1pu7 n ASN 191 N 0.00 1.31 0.10 -1.84 3.02 -1.26 -3.82 115.26 112.76 1pu7 n ASN 191 Ca 0.00 -2.02 0.12 0.00 -0.03 0.00 0.00 54.58 52.65 1pu7 n ASN 191 Cb 0.00 -0.39 0.15 0.00 -0.61 0.00 0.00 39.78 38.93 1pu7 n ASN 191 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1pu7 h THR 192 N 6.02 0.00 -3.68 3.41 1.35 -1.86 -3.47 112.91 114.68 1pu7 h THR 192 Ca -0.18 -0.69 -0.34 0.00 -0.55 0.00 0.00 66.41 64.65 1pu7 h THR 192 Cb 1.47 1.36 -0.18 0.00 -1.73 0.00 0.00 68.15 69.08 1pu7 h THR 192 CO 0.14 0.00 -0.74 0.27 -0.25 0.00 0.00 175.52 174.95 1pu7 s ILE 193 N -3.22 1.02 0.67 6.82 -4.36 -1.26 -5.15 121.20 115.72 1pu7 s ILE 193 Ca 0.05 -1.68 -0.09 0.00 -0.26 0.00 0.00 60.65 58.67 1pu7 s ILE 193 Cb 0.11 -1.42 0.02 0.00 1.25 0.00 0.00 42.46 42.42 1pu7 s ILE 193 CO 0.72 -0.55 1.03 -0.94 0.24 0.00 0.00 174.94 175.44 1pu7 s SER 194 N -2.49 5.34 0.26 4.36 1.04 -1.26 -4.87 113.70 116.08 1pu7 s SER 194 Ca 0.07 0.87 -0.04 0.00 0.48 0.00 0.00 55.95 57.33 1pu7 s SER 194 Cb -0.03 -1.70 0.32 0.00 0.10 0.00 0.00 66.02 64.71 1pu7 s SER 194 CO 0.01 -1.32 1.86 0.25 0.98 0.00 0.00 173.24 175.02 1pu7 h LEU 195 N -0.52 0.98 -0.30 2.42 5.85 -1.99 0.59 115.31 122.34 1pu7 h LEU 195 Ca -0.45 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.18 1pu7 h LEU 195 Cb 1.27 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1pu7 h LEU 195 CO 0.63 0.82 0.16 0.00 -0.34 0.00 0.00 178.44 179.71 1pu7 h ALA 196 N 1.33 0.37 -0.54 1.25 0.00 -1.87 0.98 119.26 120.78 1pu7 h ALA 196 Ca 0.27 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1pu7 h ALA 196 Cb 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1pu7 h ALA 196 CO -0.04 -0.22 0.06 0.37 0.00 0.00 0.00 179.25 179.42 1pu7 h GLN 197 N 0.33 0.87 0.16 0.00 4.15 -1.83 -0.38 115.11 118.40 1pu7 h GLN 197 Ca 0.12 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1pu7 h GLN 197 Cb 0.03 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 1pu7 h GLN 197 CO -0.08 0.83 -0.13 1.25 -1.93 0.00 0.00 178.83 178.77 1pu7 h LEU 198 N 0.82 -0.34 -1.13 -2.39 6.46 -0.31 -0.65 115.31 117.77 1pu7 h LEU 198 Ca 0.17 0.03 0.09 0.00 -0.12 0.00 0.00 57.88 58.04 1pu7 h LEU 198 Cb 0.40 0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.38 1pu7 h LEU 198 CO 0.01 -0.20 0.60 1.88 -0.62 0.00 0.00 178.44 180.11 1pu7 h TYR 199 N -0.30 1.04 -0.27 1.25 0.99 -0.45 0.27 116.97 119.51 1pu7 h TYR 199 Ca -0.00 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.77 1pu7 h TYR 199 Cb 0.27 -0.34 -0.02 0.00 1.00 0.00 0.00 36.73 37.64 1pu7 h TYR 199 CO -0.11 0.50 0.13 0.00 -0.00 0.00 0.00 178.16 178.67 1pu7 h ALA 200 N 1.53 0.32 -0.33 3.88 0.00 -0.62 -0.15 119.26 123.88 1pu7 h ALA 200 Ca 0.42 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.19 1pu7 h ALA 200 Cb 0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pu7 h ALA 200 CO -0.18 -0.27 -0.39 0.00 0.00 0.00 0.00 179.25 178.41 1pu7 h ARG 201 N 0.27 0.85 0.02 0.00 3.08 -0.68 -2.09 114.38 115.83 1pu7 h ARG 201 Ca 0.11 -0.47 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 1pu7 h ARG 201 Cb 0.04 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1pu7 h ARG 201 CO -0.08 1.11 -0.01 0.35 -1.07 0.00 0.00 179.97 180.27 1pu7 h PHE 202 N 0.63 -0.02 -0.84 3.04 -0.00 -0.72 -0.85 116.94 118.19 1pu7 h PHE 202 Ca 0.05 -0.00 0.02 0.00 -0.00 0.00 0.00 57.97 58.03 1pu7 h PHE 202 Cb 0.98 0.01 -0.04 0.00 -0.00 0.00 0.00 35.95 36.89 1pu7 h PHE 202 CO 0.07 0.07 0.55 1.25 -0.00 0.00 0.00 178.31 180.26 1pu7 h HIS 203 N -0.11 1.04 0.00 0.41 2.76 -1.06 -2.39 115.15 115.80 1pu7 h HIS 203 Ca -0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1pu7 h HIS 203 Cb 0.10 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 28.71 1pu7 h HIS 203 CO -0.05 0.64 0.00 0.41 -1.30 0.00 0.00 177.93 177.63 1pu7 n GLY 204 N -1.41 0.00 0.33 5.26 0.00 -0.32 -1.65 105.19 107.40 1pu7 n GLY 204 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1pu7 n GLY 204 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pu7 n ILE 206 N 0.75 0.00 0.02 -0.61 5.41 -0.90 -1.09 119.36 122.94 1pu7 n ILE 206 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 1pu7 n ILE 206 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 1pu7 n ILE 206 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1pu7 h VAL 207 N 0.00 0.91 -0.74 1.39 2.07 -1.59 -0.54 116.25 117.75 1pu7 h VAL 207 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1pu7 h VAL 207 Cb 0.00 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1pu7 h VAL 207 CO 0.00 0.00 0.23 -0.33 0.02 0.00 0.00 177.57 177.49 1pu7 h GLU 208 N -0.03 1.16 -0.37 1.57 4.39 -1.38 0.28 114.58 120.20 1pu7 h GLU 208 Ca 0.03 -0.25 0.03 0.00 0.34 0.00 0.00 59.36 59.51 1pu7 h GLU 208 Cb 0.07 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1pu7 h GLU 208 CO -0.06 0.99 0.17 0.35 -1.16 0.00 0.00 179.01 179.29 1pu7 h PHE 209 N 1.11 0.31 -0.45 4.33 3.04 -1.76 -1.04 116.94 122.48 1pu7 h PHE 209 Ca 0.24 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.12 1pu7 h PHE 209 Cb 0.32 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 1pu7 h PHE 209 CO 0.03 0.16 -0.07 0.77 -2.02 0.00 0.00 178.31 177.17 1pu7 h SER 210 N 0.35 0.84 -0.56 0.41 0.02 -0.74 -2.32 113.55 111.55 1pu7 h SER 210 Ca 0.16 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1pu7 h SER 210 Cb 0.09 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 1pu7 h SER 210 CO -0.13 0.99 0.27 0.11 -1.14 0.00 0.00 176.83 176.93 1pu7 h LYS 211 N 0.68 0.84 0.00 3.45 1.57 -0.72 -1.93 116.57 120.46 1pu7 h LYS 211 Ca 0.12 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1pu7 h LYS 211 Cb 0.60 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1pu7 h LYS 211 CO 0.04 0.66 0.00 1.04 -0.57 0.00 0.00 179.45 180.62 1pu7 n GLN 212 N -4.35 0.43 -3.49 3.15 6.02 -0.42 -4.94 117.38 113.78 1pu7 n GLN 212 Ca 0.05 0.02 -0.19 0.00 -0.01 0.00 0.00 57.00 56.87 1pu7 n GLN 212 Cb 0.14 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 29.98 1pu7 n GLN 212 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1pu7 n LYS 213 N -1.27 -6.86 -2.57 -1.09 4.01 -0.73 -5.00 118.16 104.66 1pu7 n LYS 213 Ca 0.14 0.83 -0.23 0.00 -0.51 0.00 0.00 58.31 58.54 1pu7 n LYS 213 Cb 0.22 -5.83 0.08 0.00 -0.51 0.00 0.00 35.03 28.98 1pu7 n LYS 213 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1pu7 s LEU 214 N -6.62 3.08 -0.04 -0.35 1.43 -0.95 -5.05 118.68 110.17 1pu7 s LEU 214 Ca 0.15 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1pu7 s LEU 214 Cb -0.07 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.73 1pu7 s LEU 214 CO 0.74 -1.55 -0.04 -1.61 0.23 0.00 0.00 176.35 174.12 1pu7 s GLU 215 N -5.00 0.66 0.00 1.70 0.41 -1.26 -4.95 118.70 110.26 1pu7 s GLU 215 Ca 0.62 -0.08 0.25 0.00 -0.41 0.00 0.00 54.97 55.35 1pu7 s GLU 215 Cb -0.08 -0.70 0.37 0.00 -1.78 0.00 0.00 34.13 31.94 1pu7 s GLU 215 CO 0.42 -0.07 1.36 -0.11 -0.49 0.00 0.00 175.26 176.37