#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1py1 s THR 9 N 0.00 3.70 0.15 2.62 -4.23 -1.26 -4.90 115.64 111.72 1py1 s THR 9 Ca 0.00 0.55 -0.17 0.00 -1.18 0.00 0.00 61.69 60.89 1py1 s THR 9 Cb 0.00 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 70.44 1py1 s THR 9 CO 0.00 -0.72 1.73 -0.07 -0.54 0.00 0.00 174.62 175.02 1py1 h LEU 10 N -0.74 0.02 -0.57 4.79 4.07 -1.97 -1.86 115.31 119.05 1py1 h LEU 10 Ca -0.45 0.05 0.08 0.00 0.08 0.00 0.00 57.88 57.64 1py1 h LEU 10 Cb 1.24 0.06 -0.07 0.00 1.08 0.00 0.00 40.66 42.97 1py1 h LEU 10 CO 0.61 0.05 0.20 -0.33 -1.08 0.00 0.00 178.44 177.88 1py1 h GLU 11 N 0.18 0.36 -0.89 1.13 3.07 -1.98 0.16 114.58 116.62 1py1 h GLU 11 Ca 0.14 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1py1 h GLU 11 Cb 0.15 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 27.94 1py1 h GLU 11 CO -0.19 0.24 0.52 0.00 -1.40 0.00 0.00 179.01 178.18 1py1 h ALA 12 N 1.39 1.14 0.15 3.43 0.00 -1.86 -1.91 119.26 121.60 1py1 h ALA 12 Ca 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1py1 h ALA 12 Cb 0.34 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1py1 h ALA 12 CO -0.29 0.62 -0.07 0.00 0.00 0.00 0.00 179.25 179.51 1py1 h ARG 13 N 1.24 -0.19 -0.99 0.00 3.08 -0.46 -3.09 114.38 113.96 1py1 h ARG 13 Ca 0.32 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.42 1py1 h ARG 13 Cb -0.02 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 1py1 h ARG 13 CO -0.06 0.16 0.65 0.97 -1.07 0.00 0.00 179.97 180.63 1py1 h ILE 14 N -0.58 1.17 -0.47 2.04 6.09 -0.97 0.65 117.51 125.45 1py1 h ILE 14 Ca -0.02 -0.43 -0.03 0.00 -1.37 0.00 0.00 64.86 63.01 1py1 h ILE 14 Cb 0.44 -0.19 -0.02 0.00 0.47 0.00 0.00 36.82 37.52 1py1 h ILE 14 CO 0.03 0.23 0.15 0.78 -3.07 0.00 0.00 178.15 176.28 1py1 h ASN 15 N 1.26 0.62 0.13 2.19 2.35 -1.39 -0.35 115.58 120.38 1py1 h ASN 15 Ca 0.39 -0.08 -0.29 0.00 -0.55 0.00 0.00 56.30 55.78 1py1 h ASN 15 Cb -0.00 -0.16 0.02 0.00 0.05 0.00 0.00 38.32 38.23 1py1 h ASN 15 CO -0.12 0.59 -1.17 -0.09 -1.65 0.00 0.00 177.43 174.98 1py1 h ARG 16 N 0.67 0.62 -0.03 0.81 2.43 -1.31 -0.88 114.38 116.68 1py1 h ARG 16 Ca 0.16 -0.77 -0.07 0.00 -0.81 0.00 0.00 59.98 58.49 1py1 h ARG 16 Cb 0.19 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1py1 h ARG 16 CO -0.01 1.34 -0.29 0.00 -1.51 0.00 0.00 179.97 179.50 1py1 h ALA 17 N 0.37 1.47 -0.21 2.80 0.00 -0.55 -3.12 119.26 120.01 1py1 h ALA 17 Ca -0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1py1 h ALA 17 Cb 1.84 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1py1 h ALA 17 CO 0.22 0.39 0.00 0.25 0.00 0.00 0.00 179.25 180.12 1py1 n THR 18 N -4.18 1.39 -1.67 0.00 -2.24 -0.17 -4.61 114.28 102.80 1py1 n THR 18 Ca -0.02 -1.33 -0.50 0.00 -2.27 0.00 0.00 64.05 59.93 1py1 n THR 18 Cb 0.35 0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.77 1py1 n THR 18 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1py1 n ASN 19 N -0.15 3.17 0.26 3.42 2.85 -0.34 -4.47 115.26 119.99 1py1 n ASN 19 Ca 0.12 0.93 0.18 0.00 -0.11 0.00 0.00 54.58 55.70 1py1 n ASN 19 Cb 0.52 -1.33 0.91 0.00 1.24 0.00 0.00 39.78 41.12 1py1 n ASN 19 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1py1 h PRO 20 N 9.27 0.00 -0.26 1.20 0.11 -1.89 -2.15 132.00 138.29 1py1 h PRO 20 Ca -0.46 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 1py1 h PRO 20 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1py1 h PRO 20 CO 0.96 0.00 -0.43 -0.07 -0.21 0.00 0.00 178.00 178.25 1py1 h LEU 21 N 0.00 0.67 -8.77 2.35 3.38 -1.97 -3.46 115.31 107.51 1py1 h LEU 21 Ca 0.05 -0.31 -0.82 0.00 0.09 0.00 0.00 57.88 56.90 1py1 h LEU 21 Cb 0.42 -0.19 0.03 0.00 0.09 0.00 0.00 40.66 41.01 1py1 h LEU 21 CO -0.00 1.01 0.38 0.59 0.09 0.00 0.00 178.44 180.51 1py1 n ASN 22 N -4.02 0.62 0.13 -0.43 3.02 -0.81 -4.85 115.26 108.91 1py1 n ASN 22 Ca -0.02 1.15 -0.00 0.00 -0.03 0.00 0.00 54.58 55.67 1py1 n ASN 22 Cb 0.54 -0.88 0.10 0.00 -0.61 0.00 0.00 39.78 38.93 1py1 n ASN 22 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1py1 h LYS 23 N 3.95 0.00 -3.96 3.52 1.79 -1.90 -3.47 116.57 116.50 1py1 h LYS 23 Ca -0.46 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 57.89 1py1 h LYS 23 Cb 1.36 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.90 1py1 h LYS 23 CO 0.80 0.64 -0.31 -1.83 -1.08 0.00 0.00 179.45 177.67 1py1 s GLU 24 N -3.23 1.33 0.23 3.15 1.03 -1.26 -5.14 118.70 114.81 1py1 s GLU 24 Ca 0.01 -1.32 -0.32 0.00 0.03 0.00 0.00 54.97 53.37 1py1 s GLU 24 Cb 0.10 0.39 -0.13 0.00 -0.80 0.00 0.00 34.13 33.69 1py1 s GLU 24 CO 0.76 -0.51 1.46 1.28 -1.33 0.00 0.00 175.26 176.91 1py1 n LEU 25 N -0.30 3.24 -3.92 1.83 4.77 -1.26 -4.90 117.00 116.45 1py1 n LEU 25 Ca -0.03 1.13 -0.43 0.00 -0.03 0.00 0.00 56.01 56.66 1py1 n LEU 25 Cb 0.63 -1.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.29 1py1 n LEU 25 CO 0.26 -0.39 1.30 -0.67 -1.33 0.00 0.00 177.39 176.56 1py1 n ASP 26 N 2.36 6.46 -0.32 -1.43 4.64 -1.26 -4.84 116.55 122.17 1py1 n ASP 26 Ca 0.12 -3.42 0.25 0.00 -1.38 0.00 0.00 54.79 50.36 1py1 n ASP 26 Cb 0.32 -1.28 0.56 0.00 -1.04 0.00 0.00 41.12 39.67 1py1 n ASP 26 CO 0.00 0.00 0.00 -0.50 -0.82 0.00 0.00 177.20 175.88 1py1 h TRP 27 N 5.27 0.53 -0.29 -0.67 4.06 -1.95 0.29 115.95 123.19 1py1 h TRP 27 Ca 0.28 0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.28 1py1 h TRP 27 Cb 0.56 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.54 1py1 h TRP 27 CO 1.10 0.05 0.09 0.00 -3.56 0.00 0.00 178.44 176.12 1py1 h ALA 28 N 1.59 0.32 0.03 1.49 0.00 -2.00 -0.27 119.26 120.41 1py1 h ALA 28 Ca 0.58 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 55.31 1py1 h ALA 28 Cb 1.64 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1py1 h ALA 28 CO -0.24 -0.32 -1.02 0.77 0.00 0.00 0.00 179.25 178.45 1py1 h SER 29 N 0.21 0.13 0.68 0.00 0.02 -1.16 -2.97 113.55 110.47 1py1 h SER 29 Ca 0.13 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1py1 h SER 29 Cb 0.11 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.61 1py1 h SER 29 CO -0.14 1.06 -0.33 0.40 -1.14 0.00 0.00 176.83 176.68 1py1 h ILE 30 N 0.03 0.12 -0.05 3.27 2.04 -0.34 -2.64 117.51 119.94 1py1 h ILE 30 Ca -0.04 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1py1 h ILE 30 Cb 1.74 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1py1 h ILE 30 CO 0.14 0.02 0.01 0.78 0.00 0.00 0.00 178.15 179.10 1py1 h ASN 31 N -1.18 0.06 0.32 1.72 2.35 -1.19 -1.11 115.58 116.55 1py1 h ASN 31 Ca -0.09 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 1py1 h ASN 31 Cb 0.73 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 1py1 h ASN 31 CO 0.15 0.07 -0.28 1.23 -1.65 0.00 0.00 177.43 176.95 1py1 h GLY 32 N 0.14 0.00 0.36 2.83 0.00 -1.50 -1.51 103.07 103.40 1py1 h GLY 32 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1py1 h GLY 32 CO -0.00 0.00 -0.02 -2.75 0.00 0.00 0.00 176.54 173.77 1py1 h PHE 33 N 0.00 -0.04 -0.50 5.60 3.04 -0.82 -2.66 116.94 121.56 1py1 h PHE 33 Ca -0.00 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 61.98 1py1 h PHE 33 Cb 0.51 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.00 1py1 h PHE 33 CO 0.00 0.55 0.26 0.00 -2.02 0.00 0.00 178.31 177.10 1py1 h GLU 35 N 0.52 0.00 0.07 0.00 4.22 -1.36 -3.19 114.58 114.84 1py1 h GLU 35 Ca 0.21 0.00 -0.37 0.00 0.08 0.00 0.00 59.36 59.28 1py1 h GLU 35 Cb 0.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1py1 h GLU 35 CO -0.13 0.10 -2.15 0.94 -2.18 0.00 0.00 179.01 175.59 1py1 n GLN 36 N -3.83 0.71 0.25 1.92 -0.06 -0.75 -4.23 117.38 111.39 1py1 n GLN 36 Ca -0.02 0.22 0.09 0.00 -2.00 0.00 0.00 57.00 55.29 1py1 n GLN 36 Cb 0.20 -1.65 0.50 0.00 -4.06 0.00 0.00 30.24 25.23 1py1 n GLN 36 CO 0.00 0.00 0.00 1.37 -0.20 0.00 0.00 177.06 178.23 1py1 h LEU 37 N 0.04 0.00 0.11 1.69 8.10 -0.96 -0.32 115.31 123.98 1py1 h LEU 37 Ca -0.47 0.00 -0.35 0.00 0.11 0.00 0.00 57.88 57.17 1py1 h LEU 37 Cb 2.00 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 42.20 1py1 h LEU 37 CO 0.03 0.00 -1.91 -0.55 -4.11 0.00 0.00 178.44 171.90 1py1 h ASN 38 N 0.00 0.37 0.00 0.17 7.08 -1.74 -2.77 115.58 118.69 1py1 h ASN 38 Ca 0.00 -0.80 0.00 0.00 -3.08 0.00 0.00 56.30 52.42 1py1 h ASN 38 Cb 0.82 -0.12 0.00 0.00 -2.08 0.00 0.00 38.32 36.93 1py1 h ASN 38 CO 0.00 1.71 0.00 -0.62 -2.08 0.00 0.00 177.43 176.44 1py1 n GLU 39 N -3.43 0.00 -0.75 4.14 -0.58 -0.13 -4.58 120.64 115.32 1py1 n GLU 39 Ca -0.28 0.77 -0.32 0.00 -0.42 0.00 0.00 57.16 56.91 1py1 n GLU 39 Cb 1.05 -1.33 0.14 0.00 -0.57 0.00 0.00 31.44 30.73 1py1 n GLU 39 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1py1 n ASP 40 N -2.23 -2.01 0.07 1.62 8.00 -1.26 -4.92 116.55 115.82 1py1 n ASP 40 Ca 0.00 0.20 -0.01 0.00 0.71 0.00 0.00 54.79 55.69 1py1 n ASP 40 Cb 0.00 -1.16 -0.05 0.00 -0.02 0.00 0.00 41.12 39.88 1py1 n ASP 40 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1py1 h PHE 41 N -1.75 0.00 -0.37 1.24 -5.15 -1.93 -3.33 116.94 105.65 1py1 h PHE 41 Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 1py1 h PHE 41 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.47 1py1 h PHE 41 CO 0.33 0.65 0.00 -0.85 -2.00 0.00 0.00 178.31 176.44 1py1 n GLU 42 N -3.09 3.01 -0.13 6.09 0.00 -1.26 -4.66 120.64 120.59 1py1 n GLU 42 Ca -0.05 -2.43 -0.11 0.00 0.00 0.00 0.00 57.16 54.57 1py1 n GLU 42 Cb 0.84 -1.54 -0.02 0.00 0.00 0.00 0.00 31.44 30.71 1py1 n GLU 42 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1py1 h GLY 43 N 2.28 0.80 0.60 -1.84 0.00 -1.74 -3.11 103.07 100.07 1py1 h GLY 43 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 47.33 46.67 1py1 h GLY 43 CO 0.10 0.61 -0.29 -2.55 0.00 0.00 0.00 176.54 174.41 1py1 h PRO 44 N 0.54 -0.54 -0.72 4.80 0.11 -1.76 0.31 132.00 134.74 1py1 h PRO 44 Ca 0.10 0.04 0.16 0.00 0.11 0.00 0.00 66.00 66.40 1py1 h PRO 44 Cb 0.61 0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.80 1py1 h PRO 44 CO 0.04 -0.36 0.49 -1.35 -0.21 0.00 0.00 178.00 176.61 1py1 h PRO 45 N -0.56 0.31 0.05 1.05 0.11 -1.91 -0.88 132.00 130.16 1py1 h PRO 45 Ca 0.01 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.85 1py1 h PRO 45 Cb 0.55 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.59 1py1 h PRO 45 CO -0.10 0.20 -1.06 1.25 -0.21 0.00 0.00 178.00 178.08 1py1 h LEU 46 N 0.32 0.57 -0.56 2.35 5.85 -1.33 -3.08 115.31 119.43 1py1 h LEU 46 Ca 0.35 -0.50 -0.12 0.00 0.84 0.00 0.00 57.88 58.46 1py1 h LEU 46 Cb 0.93 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1py1 h LEU 46 CO -0.09 1.32 -0.12 0.00 -0.34 0.00 0.00 178.44 179.21 1py1 h ALA 47 N 0.63 0.77 -0.10 1.25 0.00 0.92 -1.27 119.26 121.45 1py1 h ALA 47 Ca -0.11 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1py1 h ALA 47 Cb 1.72 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1py1 h ALA 47 CO 0.18 0.67 -0.27 1.79 0.00 0.00 0.00 179.25 181.63 1py1 h THR 48 N 0.91 1.24 0.07 0.00 1.35 -1.36 -1.81 112.91 113.31 1py1 h THR 48 Ca 0.14 -1.11 -0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1py1 h THR 48 Cb 0.69 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1py1 h THR 48 CO 0.05 0.33 -0.03 0.03 -0.25 0.00 0.00 175.52 175.65 1py1 h ARG 49 N 0.17 -0.09 -0.94 4.72 3.08 -1.39 -0.65 114.38 119.28 1py1 h ARG 49 Ca 0.03 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.15 1py1 h ARG 49 Cb 0.57 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 1py1 h ARG 49 CO 0.04 0.33 0.60 -0.07 -1.07 0.00 0.00 179.97 179.80 1py1 h LEU 50 N -0.53 0.95 -0.33 3.04 3.38 -1.15 -2.35 115.31 118.31 1py1 h LEU 50 Ca -0.01 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1py1 h LEU 50 Cb 0.46 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1py1 h LEU 50 CO 0.02 0.61 -0.06 -0.07 0.09 0.00 0.00 178.44 179.02 1py1 h LEU 51 N 1.09 0.63 -1.32 1.67 3.38 -1.26 -1.99 115.31 117.51 1py1 h LEU 51 Ca 0.41 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1py1 h LEU 51 Cb 0.17 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1py1 h LEU 51 CO -0.17 0.84 0.38 0.00 0.09 0.00 0.00 178.44 179.57 1py1 h ALA 52 N 0.82 1.49 -0.15 1.53 0.00 -0.87 0.37 119.26 122.44 1py1 h ALA 52 Ca 0.09 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1py1 h ALA 52 Cb 0.55 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1py1 h ALA 52 CO 0.03 0.45 -0.09 1.25 0.00 0.00 0.00 179.25 180.89 1py1 h HIS 53 N 0.86 0.38 -0.38 0.00 -0.00 -1.30 -2.72 115.15 111.98 1py1 h HIS 53 Ca 0.23 -0.10 -0.04 0.00 -0.00 0.00 0.00 60.37 60.46 1py1 h HIS 53 Cb -0.04 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.26 1py1 h HIS 53 CO 0.00 0.66 0.07 0.87 -0.00 0.00 0.00 177.93 179.54 1py1 h LYS 54 N -0.02 0.56 0.00 5.26 6.56 -0.73 -2.84 116.57 125.36 1py1 h LYS 54 Ca 0.03 -0.10 -0.09 0.00 -1.06 0.00 0.00 60.65 59.43 1py1 h LYS 54 Cb 0.57 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 1py1 h LYS 54 CO 0.02 0.53 -0.43 0.82 -2.06 0.00 0.00 179.45 178.33 1py1 h ILE 55 N 0.55 1.20 -0.30 1.86 2.04 -0.21 -2.90 117.51 119.76 1py1 h ILE 55 Ca 0.13 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1py1 h ILE 55 Cb 0.24 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1py1 h ILE 55 CO -0.00 0.43 0.00 0.00 0.00 0.00 0.00 178.15 178.58 1py1 n GLN 56 N -3.87 1.82 -1.82 2.37 6.02 -1.03 -4.72 117.38 116.15 1py1 n GLN 56 Ca -0.01 -1.26 -0.42 0.00 -0.01 0.00 0.00 57.00 55.30 1py1 n GLN 56 Cb 0.48 -1.33 -0.02 0.00 1.02 0.00 0.00 30.24 30.38 1py1 n GLN 56 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1py1 s SER 57 N -1.22 6.45 0.57 1.08 0.15 -1.10 -4.89 113.70 114.74 1py1 s SER 57 Ca 0.28 2.82 0.26 0.00 0.70 0.00 0.00 55.95 60.02 1py1 s SER 57 Cb 0.15 -2.61 1.60 0.00 -1.71 0.00 0.00 66.02 63.44 1py1 s SER 57 CO 0.21 -0.90 2.13 -0.65 1.20 0.00 0.00 173.24 175.23 1py1 h PRO 58 N 5.98 0.00 -6.01 5.44 0.11 -1.92 -3.39 132.00 132.21 1py1 h PRO 58 Ca -0.45 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.07 1py1 h PRO 58 Cb 1.21 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 1py1 h PRO 58 CO 0.88 0.00 0.67 -0.65 -0.21 0.00 0.00 178.00 178.69 1py1 s GLN 59 N -4.75 3.35 0.15 1.05 -0.21 -1.26 -4.97 119.66 113.02 1py1 s GLN 59 Ca -0.05 -0.19 -0.28 0.00 0.02 0.00 0.00 55.36 54.87 1py1 s GLN 59 Cb 0.16 -4.06 -0.02 0.00 1.00 0.00 0.00 33.01 30.09 1py1 s GLN 59 CO 0.59 -1.57 1.57 1.49 -2.12 0.00 0.00 175.29 175.25 1py1 h GLU 60 N 9.41 -0.34 -0.64 2.91 4.81 -1.99 -0.76 114.58 127.97 1py1 h GLU 60 Ca -0.26 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.18 1py1 h GLU 60 Cb 1.07 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 1py1 h GLU 60 CO 1.12 -0.22 0.51 2.35 -0.73 0.00 0.00 179.01 182.04 1py1 h TRP 61 N -0.35 0.00 -0.05 0.92 -0.00 -1.95 0.14 115.95 114.66 1py1 h TRP 61 Ca 0.13 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.87 1py1 h TRP 61 Cb 0.59 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.76 1py1 h TRP 61 CO -0.62 0.00 -0.52 1.49 -0.00 0.00 0.00 178.44 178.78 1py1 h GLU 62 N 0.00 0.44 -0.23 2.65 4.81 -1.37 -2.62 114.58 118.27 1py1 h GLU 62 Ca 0.31 -0.41 -0.13 0.00 -0.13 0.00 0.00 59.36 58.99 1py1 h GLU 62 Cb 1.32 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.80 1py1 h GLU 62 CO -0.00 1.06 -0.38 0.00 -0.73 0.00 0.00 179.01 178.95 1py1 h ALA 63 N 0.39 0.36 -0.07 2.92 0.00 -0.87 -1.77 119.26 120.22 1py1 h ALA 63 Ca -0.05 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1py1 h ALA 63 Cb 1.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1py1 h ALA 63 CO 0.11 0.44 0.04 0.82 0.00 0.00 0.00 179.25 180.66 1py1 h ILE 64 N 0.37 1.05 -0.52 0.00 2.04 -0.89 0.77 117.51 120.32 1py1 h ILE 64 Ca 0.02 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1py1 h ILE 64 Cb 0.97 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1py1 h ILE 64 CO 0.09 0.04 0.29 1.56 0.00 0.00 0.00 178.15 180.13 1py1 h GLN 65 N 0.07 0.55 -0.61 2.37 4.20 -1.50 0.03 115.11 120.22 1py1 h GLN 65 Ca 0.03 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.80 1py1 h GLN 65 Cb 0.03 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 1py1 h GLN 65 CO -0.01 0.36 0.41 0.00 -0.67 0.00 0.00 178.83 178.92 1py1 h ALA 66 N 1.26 2.02 -0.19 3.87 0.00 -0.68 0.12 119.26 125.66 1py1 h ALA 66 Ca 0.22 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1py1 h ALA 66 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1py1 h ALA 66 CO -0.13 -0.16 -0.30 -0.07 0.00 0.00 0.00 179.25 178.59 1py1 h LEU 67 N 0.41 0.59 -1.41 0.00 3.38 0.64 -1.42 115.31 117.50 1py1 h LEU 67 Ca 0.28 -0.53 0.09 0.00 0.09 0.00 0.00 57.88 57.81 1py1 h LEU 67 Cb 0.56 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1py1 h LEU 67 CO -0.08 1.00 0.49 0.74 0.09 0.00 0.00 178.44 180.68 1py1 h THR 68 N 0.19 0.96 -0.02 0.22 2.02 0.73 0.67 112.91 117.68 1py1 h THR 68 Ca 0.02 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 1py1 h THR 68 Cb 0.88 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1py1 h THR 68 CO 0.07 0.12 -0.41 0.58 0.37 0.00 0.00 175.52 176.25 1py1 h VAL 69 N 0.68 1.30 0.07 3.16 2.07 -0.51 -0.34 116.25 122.69 1py1 h VAL 69 Ca 0.34 -1.44 -0.17 0.00 0.82 0.00 0.00 66.70 66.24 1py1 h VAL 69 Cb 0.41 1.75 0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1py1 h VAL 69 CO -0.12 0.42 -0.72 0.25 0.02 0.00 0.00 177.57 177.42 1py1 h LEU 70 N 0.04 0.51 0.38 2.57 5.85 0.49 -2.27 115.31 122.88 1py1 h LEU 70 Ca 0.00 -0.86 -0.01 0.00 0.84 0.00 0.00 57.88 57.86 1py1 h LEU 70 Cb 0.75 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1py1 h LEU 70 CO 0.06 1.31 -0.32 -0.08 -0.34 0.00 0.00 178.44 179.07 1py1 h GLU 71 N -0.23 -0.68 -0.47 1.25 4.81 0.27 -1.96 114.58 117.56 1py1 h GLU 71 Ca -0.11 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1py1 h GLU 71 Cb 1.49 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.98 1py1 h GLU 71 CO 0.14 -0.46 0.19 1.15 -0.73 0.00 0.00 179.01 179.31 1py1 h THR 72 N -0.71 0.89 -0.11 0.32 2.02 -1.16 -2.34 112.91 111.82 1py1 h THR 72 Ca -0.03 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 1py1 h THR 72 Cb 0.62 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1py1 h THR 72 CO -0.02 0.07 -0.23 0.00 0.37 0.00 0.00 175.52 175.71 1py1 h MET 74 N 0.17 0.93 -0.06 0.00 2.07 -0.81 -1.28 114.93 115.96 1py1 h MET 74 Ca 0.03 -0.19 -0.06 0.00 -2.07 0.00 0.00 59.70 57.40 1py1 h MET 74 Cb 0.50 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 30.10 1py1 h MET 74 CO 0.03 0.82 -0.22 0.87 1.07 0.00 0.00 176.91 179.49 1py1 h LYS 75 N 0.89 0.25 0.37 1.72 1.57 -1.25 -3.38 116.57 116.73 1py1 h LYS 75 Ca 0.20 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1py1 h LYS 75 Cb 0.30 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1py1 h LYS 75 CO -0.00 0.83 -0.18 0.77 -0.57 0.00 0.00 179.45 180.29 1py1 h SER 76 N -0.28 -0.42 -3.53 0.86 0.02 -1.33 -3.47 113.55 105.40 1py1 h SER 76 Ca -0.01 -0.13 -0.42 0.00 -0.84 0.00 0.00 61.79 60.39 1py1 h SER 76 Cb 0.86 0.11 0.19 0.00 0.14 0.00 0.00 62.40 63.69 1py1 h SER 76 CO 0.05 0.01 0.10 0.00 -1.14 0.00 0.00 176.83 175.85 1py1 n GLY 78 N -0.48 5.73 0.65 0.00 0.00 -1.26 -4.90 105.19 104.93 1py1 n GLY 78 Ca 0.09 -1.92 0.45 0.00 0.00 0.00 0.00 46.02 44.64 1py1 n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1py1 h LYS 79 N 0.00 0.00 0.00 1.61 1.63 -1.98 -2.20 116.57 115.64 1py1 h LYS 79 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1py1 h LYS 79 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1py1 h LYS 79 CO 0.00 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 176.54 1py1 n ARG 80 N -3.74 0.00 0.06 1.90 5.12 -1.26 -1.80 116.66 116.95 1py1 n ARG 80 Ca 0.37 0.37 -0.12 0.00 -1.93 0.00 0.00 57.85 56.54 1py1 n ARG 80 Cb 1.83 -1.22 -0.06 0.00 -1.16 0.00 0.00 32.46 31.84 1py1 n ARG 80 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1py1 h PHE 81 N 0.00 -0.12 -0.97 -1.55 -0.00 -1.83 -3.06 116.94 109.42 1py1 h PHE 81 Ca 0.00 0.00 0.24 0.00 -0.00 0.00 0.00 57.97 58.21 1py1 h PHE 81 Cb 0.00 0.05 -0.18 0.00 -0.00 0.00 0.00 35.95 35.82 1py1 h PHE 81 CO -0.05 -0.08 -0.07 0.45 -0.00 0.00 0.00 178.31 178.56 1py1 h HIS 82 N -0.11 -0.22 -0.57 0.41 3.86 -1.47 0.32 115.15 117.37 1py1 h HIS 82 Ca 0.01 0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1py1 h HIS 82 Cb 0.11 0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 1py1 h HIS 82 CO -0.10 -0.42 0.22 -0.44 0.86 0.00 0.00 177.93 178.05 1py1 h ASP 83 N 0.01 0.80 -0.42 2.45 5.19 -1.25 -0.77 116.42 122.43 1py1 h ASP 83 Ca 0.54 -0.18 -0.03 0.00 -0.62 0.00 0.00 57.03 56.74 1py1 h ASP 83 Cb 1.01 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.29 1py1 h ASP 83 CO -0.94 0.76 0.14 -0.33 -3.12 0.00 0.00 179.24 175.75 1py1 h GLU 84 N 0.79 0.64 0.00 3.56 4.39 -0.41 -2.22 114.58 121.34 1py1 h GLU 84 Ca 0.19 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 1py1 h GLU 84 Cb 0.22 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1py1 h GLU 84 CO -0.01 0.63 -0.26 0.28 -1.16 0.00 0.00 179.01 178.48 1py1 h VAL 85 N 0.53 0.78 -0.07 3.13 2.07 -1.08 -2.57 116.25 119.04 1py1 h VAL 85 Ca 0.13 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1py1 h VAL 85 Cb 0.25 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1py1 h VAL 85 CO -0.01 0.25 0.00 0.61 0.02 0.00 0.00 177.57 178.45 1py1 n GLY 86 N -0.22 1.01 3.67 2.17 0.00 -0.30 -4.37 105.19 107.15 1py1 n GLY 86 Ca -0.01 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1py1 n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1py1 s LYS 87 N -1.41 2.48 0.57 1.61 1.02 -0.97 -4.49 119.74 118.56 1py1 s LYS 87 Ca 0.06 -0.90 0.34 0.00 0.02 0.00 0.00 55.97 55.49 1py1 s LYS 87 Cb 0.04 -2.49 1.71 0.00 -0.52 0.00 0.00 37.83 36.58 1py1 s LYS 87 CO 0.03 0.52 2.13 0.74 -0.92 0.00 0.00 175.35 177.85 1py1 h PHE 88 N 3.32 0.00 -0.44 3.18 0.04 -1.88 0.34 116.94 121.50 1py1 h PHE 88 Ca -0.48 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.37 1py1 h PHE 88 Cb 1.17 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.30 1py1 h PHE 88 CO 0.61 0.05 0.30 -0.09 -0.60 0.00 0.00 178.31 178.57 1py1 h ARG 89 N 0.00 0.25 0.00 1.51 2.43 -1.94 0.20 114.38 116.84 1py1 h ARG 89 Ca -0.00 -0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 58.90 1py1 h ARG 89 Cb 0.30 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 1py1 h ARG 89 CO 0.01 0.17 -1.99 0.34 -1.51 0.00 0.00 179.97 176.98 1py1 n PHE 90 N -4.47 0.00 -0.21 2.20 7.35 -0.61 -4.42 117.46 117.30 1py1 n PHE 90 Ca 0.06 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.66 1py1 n PHE 90 Cb 0.32 -0.70 0.02 0.00 0.35 0.00 0.00 39.48 39.47 1py1 n PHE 90 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1py1 h LEU 91 N 0.00 1.05 -1.58 -2.13 3.38 -0.01 -2.60 115.31 113.42 1py1 h LEU 91 Ca -0.38 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.35 1py1 h LEU 91 Cb 1.84 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 42.27 1py1 h LEU 91 CO 0.02 1.11 0.39 0.78 0.09 0.00 0.00 178.44 180.83 1py1 h ASN 92 N 0.96 0.44 0.15 -0.43 2.35 -0.84 0.35 115.58 118.55 1py1 h ASN 92 Ca 0.17 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1py1 h ASN 92 Cb 0.58 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1py1 h ASN 92 CO 0.03 0.28 -0.23 -0.33 -1.65 0.00 0.00 177.43 175.53 1py1 h GLU 93 N 0.50 0.16 0.13 0.81 4.39 -1.67 0.41 114.58 119.30 1py1 h GLU 93 Ca 0.26 -0.05 -0.30 0.00 0.34 0.00 0.00 59.36 59.61 1py1 h GLU 93 Cb 0.38 -0.02 0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1py1 h GLU 93 CO -0.08 0.39 -1.27 -0.07 -1.16 0.00 0.00 179.01 176.83 1py1 h LEU 94 N 0.15 0.88 -0.53 1.33 3.38 -0.93 -3.06 115.31 116.53 1py1 h LEU 94 Ca 0.03 -0.82 -0.01 0.00 0.09 0.00 0.00 57.88 57.17 1py1 h LEU 94 Cb 0.50 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1py1 h LEU 94 CO 0.03 1.62 0.30 0.40 0.09 0.00 0.00 178.44 180.88 1py1 h ILE 95 N 0.27 1.17 -0.54 1.22 2.04 -0.77 -2.04 117.51 118.86 1py1 h ILE 95 Ca -0.19 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.30 1py1 h ILE 95 Cb 1.94 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 1py1 h ILE 95 CO 0.24 0.18 0.36 0.11 0.00 0.00 0.00 178.15 179.05 1py1 h LYS 96 N 0.70 0.47 -0.18 2.37 1.57 -0.97 -0.40 116.57 120.12 1py1 h LYS 96 Ca 0.19 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.74 1py1 h LYS 96 Cb 0.03 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1py1 h LYS 96 CO -0.03 0.31 -0.66 0.28 -0.57 0.00 0.00 179.45 178.78 1py1 h VAL 97 N 0.48 1.30 -0.02 0.50 2.07 -1.27 -2.02 116.25 117.29 1py1 h VAL 97 Ca 0.24 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1py1 h VAL 97 Cb 0.32 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1py1 h VAL 97 CO -0.07 0.60 -0.16 1.33 0.02 0.00 0.00 177.57 179.30 1py1 n VAL 98 N -3.94 0.00 -4.10 2.57 0.24 -0.96 -2.98 118.33 109.15 1py1 n VAL 98 Ca -0.05 -0.35 -0.34 0.00 -2.04 0.00 0.00 64.34 61.55 1py1 n VAL 98 Cb 0.68 1.14 -0.10 0.00 -1.47 0.00 0.00 33.84 34.09 1py1 n VAL 98 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1py1 s SER 99 N -2.18 5.45 0.30 -1.34 0.15 -0.20 -4.75 113.70 111.13 1py1 s SER 99 Ca 0.27 0.04 0.05 0.00 0.70 0.00 0.00 55.95 57.01 1py1 s SER 99 Cb 0.20 -1.92 0.71 0.00 -1.71 0.00 0.00 66.02 63.30 1py1 s SER 99 CO 0.40 0.18 1.77 -0.65 1.20 0.00 0.00 173.24 176.14 1py1 h PRO 100 N 6.65 0.71 0.00 5.44 0.11 -1.90 0.56 132.00 143.56 1py1 h PRO 100 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1py1 h PRO 100 Cb 1.17 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1py1 h PRO 100 CO 0.69 0.47 0.03 1.63 -0.21 0.00 0.00 178.00 180.60 1py1 n LYS 101 N -4.80 0.00 0.00 1.05 5.02 -1.26 -4.41 118.16 113.76 1py1 n LYS 101 Ca 0.22 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1py1 n LYS 101 Cb 0.56 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1py1 n LYS 101 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1py1 n TYR 102 N -1.14 0.00 1.12 2.13 4.01 0.08 -5.00 117.16 118.36 1py1 n TYR 102 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 1py1 n TYR 102 Cb 0.03 0.00 0.47 0.00 -0.31 0.00 0.00 39.34 39.53 1py1 n TYR 102 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1py1 n LEU 103 N 0.00 0.36 -0.27 7.72 4.77 -0.77 -4.42 117.00 124.39 1py1 n LEU 103 Ca 0.00 0.14 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 1py1 n LEU 103 Cb 0.00 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 40.70 1py1 n LEU 103 CO 0.00 0.08 0.49 1.23 -1.33 0.00 0.00 177.39 177.86 1py1 h GLY 104 N 4.99 -1.05 1.48 -0.72 0.00 -1.16 0.15 103.07 106.76 1py1 h GLY 104 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 47.33 48.12 1py1 h GLY 104 CO 0.00 -0.10 0.23 1.76 0.00 0.00 0.00 176.54 178.43 1py1 h SER 105 N -0.16 0.00 -0.10 0.19 0.02 -1.77 -1.28 113.55 110.45 1py1 h SER 105 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1py1 h SER 105 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1py1 h SER 105 CO -0.72 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 175.51 1py1 n ARG 106 N -2.60 1.19 -3.99 3.45 1.74 0.42 -5.01 116.66 111.87 1py1 n ARG 106 Ca -0.02 -1.34 -0.34 0.00 -0.77 0.00 0.00 57.85 55.38 1py1 n ARG 106 Cb 0.27 -1.18 -0.06 0.00 -1.02 0.00 0.00 32.46 30.48 1py1 n ARG 106 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1py1 s THR 107 N -0.81 5.15 0.31 0.55 2.01 -0.48 -5.07 115.64 117.30 1py1 s THR 107 Ca 0.13 -0.20 -0.29 0.00 0.31 0.00 0.00 61.69 61.64 1py1 s THR 107 Cb 0.08 -3.36 -0.10 0.00 0.01 0.00 0.00 72.50 69.13 1py1 s THR 107 CO 0.11 0.39 1.34 -0.94 -0.69 0.00 0.00 174.62 174.83 1py1 s SER 108 N -1.70 6.74 0.34 3.53 1.04 -1.26 -4.86 113.70 117.53 1py1 s SER 108 Ca 0.23 2.68 0.10 0.00 0.48 0.00 0.00 55.95 59.44 1py1 s SER 108 Cb -0.12 -2.64 0.85 0.00 0.10 0.00 0.00 66.02 64.20 1py1 s SER 108 CO 0.14 -0.58 1.81 -0.08 0.98 0.00 0.00 173.24 175.51 1py1 h GLU 109 N 3.87 0.64 0.26 4.02 4.81 -1.98 -1.05 114.58 125.15 1py1 h GLU 109 Ca -0.48 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 1py1 h GLU 109 Cb 1.22 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1py1 h GLU 109 CO 0.69 0.42 -0.14 -0.22 -0.73 0.00 0.00 179.01 179.04 1py1 h LYS 110 N 0.66 -0.36 -0.18 1.92 3.64 -1.99 0.57 116.57 120.84 1py1 h LYS 110 Ca 0.54 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.95 1py1 h LYS 110 Cb 0.97 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1py1 h LYS 110 CO -0.30 -0.24 0.08 0.28 -2.27 0.00 0.00 179.45 177.00 1py1 h VAL 111 N -0.37 0.99 -0.23 2.00 2.07 -1.67 -0.99 116.25 118.05 1py1 h VAL 111 Ca -0.03 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1py1 h VAL 111 Cb 0.29 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1py1 h VAL 111 CO 0.05 0.03 0.15 0.11 0.02 0.00 0.00 177.57 177.93 1py1 h LYS 112 N 0.18 0.30 -0.71 1.57 1.57 -1.10 -1.78 116.57 116.59 1py1 h LYS 112 Ca 0.07 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1py1 h LYS 112 Cb 0.02 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1py1 h LYS 112 CO -0.06 0.22 0.31 -0.91 -0.57 0.00 0.00 179.45 178.44 1py1 h ASN 113 N 0.30 0.95 -0.71 0.86 2.35 -0.77 -1.62 115.58 116.94 1py1 h ASN 113 Ca 0.08 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1py1 h ASN 113 Cb -0.01 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.07 1py1 h ASN 113 CO -0.02 0.83 0.46 0.50 -1.65 0.00 0.00 177.43 177.55 1py1 h LYS 114 N 1.03 0.87 -0.73 0.81 1.63 -0.77 -1.19 116.57 118.22 1py1 h LYS 114 Ca 0.24 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.96 1py1 h LYS 114 Cb 0.16 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 1py1 h LYS 114 CO -0.02 0.58 0.32 0.82 -3.45 0.00 0.00 179.45 177.69 1py1 h ILE 115 N 0.90 1.25 0.00 2.00 2.04 -0.83 -2.05 117.51 120.81 1py1 h ILE 115 Ca 0.28 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1py1 h ILE 115 Cb -0.01 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1py1 h ILE 115 CO -0.10 0.30 -0.19 -0.07 0.00 0.00 0.00 178.15 178.09 1py1 h LEU 116 N 1.04 0.00 -0.04 1.44 3.38 -0.64 -0.73 115.31 119.76 1py1 h LEU 116 Ca 0.25 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.11 1py1 h LEU 116 Cb 0.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1py1 h LEU 116 CO -0.03 0.19 -0.40 -0.33 0.09 0.00 0.00 178.44 177.96 1py1 h GLU 117 N 0.00 0.33 -0.40 1.13 5.08 -0.76 -2.99 114.58 116.98 1py1 h GLU 117 Ca -0.00 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1py1 h GLU 117 Cb 0.41 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1py1 h GLU 117 CO 0.03 0.98 0.23 -0.07 -1.00 0.00 0.00 179.01 179.17 1py1 h LEU 118 N -0.20 0.50 -0.73 1.33 3.38 -1.03 0.10 115.31 118.65 1py1 h LEU 118 Ca -0.04 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 57.95 1py1 h LEU 118 Cb 1.09 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1py1 h LEU 118 CO 0.08 0.43 0.37 -0.07 0.09 0.00 0.00 178.44 179.34 1py1 h LEU 119 N 0.52 0.47 0.26 1.67 3.38 -1.24 -0.82 115.31 119.56 1py1 h LEU 119 Ca 0.14 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1py1 h LEU 119 Cb 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1py1 h LEU 119 CO -0.02 0.26 -0.13 0.22 0.09 0.00 0.00 178.44 178.86 1py1 h TYR 120 N 0.61 -0.33 -0.88 1.13 3.20 -1.26 -2.36 116.97 117.08 1py1 h TYR 120 Ca 0.37 -0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.47 1py1 h TYR 120 Cb 0.40 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 1py1 h TYR 120 CO -0.11 -0.04 0.62 0.66 -1.64 0.00 0.00 178.16 177.65 1py1 h SER 121 N -0.60 0.12 -0.01 -2.11 4.64 -0.47 -0.96 113.55 114.17 1py1 h SER 121 Ca -0.04 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.14 1py1 h SER 121 Cb 0.43 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1py1 h SER 121 CO 0.06 0.04 -0.62 -0.50 -0.87 0.00 0.00 176.83 174.94 1py1 h TRP 122 N 0.12 0.65 0.00 4.77 6.55 -0.95 0.14 115.95 127.23 1py1 h TRP 122 Ca 0.43 -0.35 0.00 0.00 0.95 0.00 0.00 58.89 59.93 1py1 h TRP 122 Cb 1.53 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 29.75 1py1 h TRP 122 CO -0.00 1.16 0.00 1.79 -1.05 0.00 0.00 178.44 180.34 1py1 h THR 123 N -0.05 0.00 0.00 1.49 1.35 -0.65 0.64 112.91 115.69 1py1 h THR 123 Ca -0.08 -0.00 -0.42 0.00 -0.55 0.00 0.00 66.41 65.37 1py1 h THR 123 Cb 1.33 0.77 -0.07 0.00 -1.73 0.00 0.00 68.15 68.45 1py1 h THR 123 CO 0.12 0.00 -2.46 0.52 -0.25 0.00 0.00 175.52 173.45 1py1 n VAL 124 N -2.71 1.52 0.11 6.82 0.31 -0.92 -3.94 118.33 119.52 1py1 n VAL 124 Ca -0.02 -0.48 0.04 0.00 -0.01 0.00 0.00 64.34 63.86 1py1 n VAL 124 Cb 0.05 -1.64 0.01 0.00 -0.91 0.00 0.00 33.84 31.35 1py1 n VAL 124 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1py1 h GLY 125 N 0.63 0.00 -5.12 2.92 0.00 -0.67 -3.38 103.07 97.45 1py1 h GLY 125 Ca -0.62 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.20 1py1 h GLY 125 CO -0.23 0.00 -0.92 1.04 0.00 0.00 0.00 176.54 176.43 1py1 n LEU 126 N -3.06 3.08 0.31 3.11 4.77 0.22 -4.91 117.00 120.51 1py1 n LEU 126 Ca -0.01 -4.92 0.16 0.00 -0.03 0.00 0.00 56.01 51.21 1py1 n LEU 126 Cb 0.73 -0.03 0.88 0.00 -2.33 0.00 0.00 43.42 42.67 1py1 n LEU 126 CO 0.41 2.11 1.09 1.55 -1.33 0.00 0.00 177.39 181.21 1py1 h PRO 127 N 2.87 0.00 -0.11 3.23 0.13 -1.68 -1.82 132.00 134.62 1py1 h PRO 127 Ca 0.12 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.28 1py1 h PRO 127 Cb 0.89 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 1py1 h PRO 127 CO 0.69 0.00 0.09 0.93 -0.23 0.00 0.00 178.00 179.48 1py1 h GLU 128 N 0.00 0.00 -4.92 0.86 3.07 -1.91 -3.30 114.58 108.38 1py1 h GLU 128 Ca 0.00 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 58.14 1py1 h GLU 128 Cb 0.40 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.16 1py1 h GLU 128 CO 0.00 0.00 1.71 0.39 -1.40 0.00 0.00 179.01 179.71 1py1 n GLU 129 N -4.15 3.33 -0.28 2.33 -0.58 -0.69 -4.85 120.64 115.76 1py1 n GLU 129 Ca -0.00 -3.63 0.09 0.00 -0.42 0.00 0.00 57.16 53.19 1py1 n GLU 129 Cb 0.21 -3.16 0.23 0.00 -0.57 0.00 0.00 31.44 28.14 1py1 n GLU 129 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1py1 h VAL 130 N 4.79 0.53 -0.88 2.62 -1.51 -1.85 -1.35 116.25 118.60 1py1 h VAL 130 Ca 0.37 -0.12 0.14 0.00 -1.23 0.00 0.00 66.70 65.86 1py1 h VAL 130 Cb 0.84 0.13 -0.09 0.00 -2.13 0.00 0.00 31.29 30.04 1py1 h VAL 130 CO 1.36 0.07 0.48 0.11 -1.23 0.00 0.00 177.57 178.36 1py1 h LYS 131 N 0.36 0.69 -0.37 5.19 1.57 -1.89 0.98 116.57 123.10 1py1 h LYS 131 Ca 0.47 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.23 1py1 h LYS 131 Cb 0.83 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1py1 h LYS 131 CO -0.50 0.45 0.22 0.82 -0.57 0.00 0.00 179.45 179.87 1py1 h ILE 132 N 0.71 1.04 -0.36 1.86 2.04 -1.47 -1.47 117.51 119.86 1py1 h ILE 132 Ca 0.47 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 66.16 1py1 h ILE 132 Cb 0.62 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1py1 h ILE 132 CO -0.34 0.08 0.13 0.00 0.00 0.00 0.00 178.15 178.03 1py1 h ALA 133 N 1.16 0.47 -0.16 1.87 0.00 -1.16 -1.47 119.26 119.98 1py1 h ALA 133 Ca 0.14 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1py1 h ALA 133 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1py1 h ALA 133 CO -0.07 0.09 -0.09 1.49 0.00 0.00 0.00 179.25 180.67 1py1 h GLU 134 N 0.44 -0.08 -0.32 0.00 4.81 -0.62 0.37 114.58 119.17 1py1 h GLU 134 Ca 0.12 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1py1 h GLU 134 Cb 0.22 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1py1 h GLU 134 CO -0.01 -0.05 0.20 0.00 -0.73 0.00 0.00 179.01 178.42 1py1 h ALA 135 N 1.05 0.40 -0.26 2.92 0.00 -1.19 0.04 119.26 122.22 1py1 h ALA 135 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1py1 h ALA 135 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1py1 h ALA 135 CO -0.21 -0.16 0.16 -0.92 0.00 0.00 0.00 179.25 178.12 1py1 h TYR 136 N 0.40 0.29 -0.91 0.00 3.20 -0.90 -1.18 116.97 117.88 1py1 h TYR 136 Ca 0.12 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.04 1py1 h TYR 136 Cb -0.02 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.10 1py1 h TYR 136 CO -0.07 0.18 0.58 0.37 -1.64 0.00 0.00 178.16 177.58 1py1 h GLN 137 N 0.32 1.08 -0.30 1.82 5.75 0.08 -0.94 115.11 122.92 1py1 h GLN 137 Ca 0.10 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1py1 h GLN 137 Cb -0.01 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.28 1py1 h GLN 137 CO -0.04 0.71 0.11 1.98 -2.65 0.00 0.00 178.83 178.94 1py1 h MET 138 N 1.11 0.46 -0.72 1.69 4.05 -0.54 0.63 114.93 121.61 1py1 h MET 138 Ca 0.37 -0.09 0.11 0.00 -0.28 0.00 0.00 59.70 59.80 1py1 h MET 138 Cb 0.05 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 30.73 1py1 h MET 138 CO -0.13 0.49 0.48 -0.07 0.23 0.00 0.00 176.91 177.91 1py1 h LEU 139 N 0.34 0.51 -0.22 3.39 3.38 -0.51 -0.18 115.31 122.02 1py1 h LEU 139 Ca 0.10 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 1py1 h LEU 139 Cb 0.21 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1py1 h LEU 139 CO -0.01 0.30 -0.60 0.50 0.09 0.00 0.00 178.44 178.72 1py1 h LYS 140 N 0.57 0.80 0.00 1.13 3.64 -0.70 -0.84 116.57 121.16 1py1 h LYS 140 Ca 0.34 -0.56 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 1py1 h LYS 140 Cb 0.55 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1py1 h LYS 140 CO -0.12 1.18 -0.14 -0.22 -2.27 0.00 0.00 179.45 177.88 1py1 h LYS 141 N 0.54 0.00 -0.05 1.90 3.64 0.77 -1.60 116.57 121.78 1py1 h LYS 141 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1py1 h LYS 141 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1py1 h LYS 141 CO 0.13 0.14 0.00 1.04 -2.27 0.00 0.00 179.45 178.49 1py1 n GLN 142 N -3.99 1.86 0.00 1.90 6.02 -0.29 -4.94 117.38 117.95 1py1 n GLN 142 Ca -0.02 -1.26 0.00 0.00 -0.01 0.00 0.00 57.00 55.71 1py1 n GLN 142 Cb 0.23 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1py1 n GLN 142 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1py1 n GLY 143 N 1.23 2.62 0.41 1.08 0.00 -0.60 -4.85 105.19 105.07 1py1 n GLY 143 Ca 0.18 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.42 1py1 n GLY 143 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1py1 h ILE 144 N 0.00 0.66 -3.44 -0.61 2.04 -1.41 -3.33 117.51 111.42 1py1 h ILE 144 Ca 0.00 0.00 -0.66 0.00 1.00 0.00 0.00 64.86 65.20 1py1 h ILE 144 Cb 0.00 0.68 -0.29 0.00 -0.74 0.00 0.00 36.82 36.47 1py1 h ILE 144 CO 0.00 0.00 -0.72 -0.69 0.00 0.00 0.00 178.15 176.74 1py1 s VAL 145 N -4.98 3.27 -0.08 1.67 1.01 -0.97 -4.98 120.40 115.34 1py1 s VAL 145 Ca -0.05 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1py1 s VAL 145 Cb 0.20 -2.56 -0.28 0.00 0.00 0.00 0.00 36.38 33.74 1py1 s VAL 145 CO 0.73 0.32 0.51 0.11 0.00 0.00 0.00 175.10 176.77 1py1 h LYS 146 N 8.10 0.30 -3.23 2.72 1.79 -1.91 -3.41 116.57 120.92 1py1 h LYS 146 Ca -0.38 -0.51 -0.01 0.00 -2.18 0.00 0.00 60.65 57.57 1py1 h LYS 146 Cb 1.14 0.19 -0.09 0.00 -1.58 0.00 0.00 32.23 31.89 1py1 h LYS 146 CO 0.60 1.22 0.08 -1.54 -1.08 0.00 0.00 179.45 178.72 1py1 s SER 147 N -7.09 -0.29 -0.04 0.86 1.04 -1.26 -5.11 113.70 101.81 1py1 s SER 147 Ca -0.19 -0.48 -0.30 0.00 0.48 0.00 0.00 55.95 55.47 1py1 s SER 147 Cb 0.06 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 1py1 s SER 147 CO 0.81 -1.11 1.21 -1.81 0.98 0.00 0.00 173.24 173.32 1py1 s ASP 148 N -2.88 7.04 0.00 7.02 1.01 -1.26 -5.14 116.67 122.47 1py1 s ASP 148 Ca 0.09 1.85 0.00 0.00 0.71 0.00 0.00 52.55 55.21 1py1 s ASP 148 Cb -0.02 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1py1 s ASP 148 CO -0.01 -0.58 0.48 -2.65 0.21 0.00 0.00 175.17 172.62