#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyb n ASP 12 N 0.00 -2.50 -2.16 -1.12 2.03 -1.26 -4.58 116.55 106.95 2pyb n ASP 12 Ca 0.00 -0.02 -0.10 0.00 0.52 0.00 0.00 54.79 55.19 2pyb n ASP 12 Cb 0.00 -0.52 0.04 0.00 -0.72 0.00 0.00 41.12 39.92 2pyb n ASP 12 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2pyb n LEU 13 N 2.92 -2.92 -0.07 -2.67 4.77 -1.26 -4.93 117.00 112.84 2pyb n LEU 13 Ca -0.01 -0.30 -0.03 0.00 -0.03 0.00 0.00 56.01 55.65 2pyb n LEU 13 Cb 0.37 -1.80 -0.16 0.00 -2.33 0.00 0.00 43.42 39.49 2pyb n LEU 13 CO 0.21 0.24 -1.02 -0.67 -1.33 0.00 0.00 177.39 174.82 2pyb n ASP 14 N -1.64 0.04 0.00 -1.43 2.03 -1.26 -4.34 116.55 109.95 2pyb n ASP 14 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2pyb n ASP 14 Cb 0.57 1.34 0.00 0.00 -0.72 0.00 0.00 41.12 42.30 2pyb n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pyb n ALA 15 N -2.58 0.00 0.15 -1.67 0.00 -1.26 -0.56 120.51 114.59 2pyb n ALA 15 Ca -0.23 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.25 2pyb n ALA 15 Cb 0.95 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.60 2pyb n ALA 15 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2pyb n ILE 16 N 0.00 1.57 -0.03 0.00 -5.35 -1.26 -2.72 119.36 111.56 2pyb n ILE 16 Ca 0.00 0.48 -0.15 0.00 -0.27 0.00 0.00 62.75 62.82 2pyb n ILE 16 Cb 0.00 -1.43 -0.09 0.00 -1.74 0.00 0.00 39.64 36.37 2pyb n ILE 16 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 2pyb h GLN 17 N 0.00 0.28 0.00 6.28 -0.00 -1.61 -2.78 115.11 117.28 2pyb h GLN 17 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 58.65 58.43 2pyb h GLN 17 Cb 0.07 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.59 2pyb h GLN 17 CO 0.00 0.85 0.00 1.25 0.00 0.00 0.00 178.83 180.93 2pyb h LEU 18 N -0.24 0.00 0.00 -2.39 5.85 -0.62 -1.42 115.31 116.49 2pyb h LEU 18 Ca -0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2pyb h LEU 18 Cb 0.89 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 2pyb h LEU 18 CO 0.05 0.00 -0.52 0.11 -0.34 0.00 0.00 178.44 177.74 2pyb h LYS 19 N 0.00 0.00 -0.93 1.25 1.57 -1.59 -3.25 116.57 113.61 2pyb h LYS 19 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2pyb h LYS 19 Cb 0.24 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 2pyb h LYS 19 CO 0.00 0.07 0.56 -0.07 -0.57 0.00 0.00 179.45 179.44 2pyb h LEU 20 N 0.00 1.12 -2.01 2.94 4.07 -0.98 0.28 115.31 120.74 2pyb h LEU 20 Ca -0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 2pyb h LEU 20 Cb 1.08 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 42.53 2pyb h LEU 20 CO 0.01 0.87 -0.07 0.06 -1.08 0.00 0.00 178.44 178.22 2pyb h GLN 21 N 1.29 0.00 -0.15 1.13 3.07 -1.61 2.32 115.11 121.15 2pyb h GLN 21 Ca 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 59.06 2pyb h GLN 21 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.51 2pyb h GLN 21 CO -0.06 0.07 0.03 0.93 0.09 0.00 0.00 178.83 179.89 2pyb h GLU 22 N 0.00 0.24 0.06 0.06 5.08 -0.52 -0.46 114.58 119.05 2pyb h GLU 22 Ca -0.00 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 2pyb h GLU 22 Cb 0.14 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.37 2pyb h GLU 22 CO 0.01 0.41 -0.34 1.25 -1.00 0.00 0.00 179.01 179.33 2pyb h LEU 23 N 0.03 0.20 -1.77 1.33 5.85 -0.74 -2.99 115.31 117.22 2pyb h LEU 23 Ca 0.05 -0.98 0.40 0.00 0.84 0.00 0.00 57.88 58.18 2pyb h LEU 23 Cb 0.28 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 2pyb h LEU 23 CO 0.00 1.17 0.95 0.25 -0.34 0.00 0.00 178.44 180.46 2pyb h LEU 24 N -0.74 0.12 0.02 2.25 6.46 0.38 0.56 115.31 124.37 2pyb h LEU 24 Ca -0.06 0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.66 2pyb h LEU 24 Cb 1.27 0.03 0.01 0.00 -0.73 0.00 0.00 40.66 41.24 2pyb h LEU 24 CO 0.06 -0.02 -0.32 0.00 -0.62 0.00 0.00 178.44 177.54 2pyb h ALA 25 N 1.39 0.01 0.00 1.25 0.00 -1.10 -3.30 119.26 117.52 2pyb h ALA 25 Ca 0.70 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2pyb h ALA 25 Cb 2.53 0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.35 2pyb h ALA 25 CO -0.14 0.13 0.00 0.43 0.00 0.00 0.00 179.25 179.68 2pyb n SER 26 N -4.44 0.04 0.10 0.00 7.64 -0.04 -3.21 113.62 113.70 2pyb n SER 26 Ca -0.11 0.51 -0.23 0.00 1.01 0.00 0.00 58.87 60.05 2pyb n SER 26 Cb 0.56 -0.52 -0.15 0.00 -1.01 0.00 0.00 64.21 63.10 2pyb n SER 26 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2pyb h LEU 27 N 0.00 0.68 0.00 -3.43 4.07 -1.07 -2.93 115.31 112.63 2pyb h LEU 27 Ca 0.00 -0.92 0.00 0.00 0.08 0.00 0.00 57.88 57.04 2pyb h LEU 27 Cb 0.40 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.92 2pyb h LEU 27 CO 0.00 1.69 0.00 1.41 -1.08 0.00 0.00 178.44 180.46 2pyb n HIS 28 N -3.76 0.00 -0.01 1.13 8.25 -1.20 -0.45 115.22 119.18 2pyb n HIS 28 Ca -0.20 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.08 2pyb n HIS 28 Cb 1.04 -0.40 -0.14 0.00 1.12 0.00 0.00 29.99 31.61 2pyb n HIS 28 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2pyb n ILE 29 N -1.40 1.72 0.17 1.59 5.41 -1.23 -2.97 119.36 122.67 2pyb n ILE 29 Ca 0.08 -0.69 0.05 0.00 1.00 0.00 0.00 62.75 63.20 2pyb n ILE 29 Cb 0.23 -1.54 0.20 0.00 -0.71 0.00 0.00 39.64 37.82 2pyb n ILE 29 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 2pyb h PHE 30 N 0.05 0.00 0.13 1.39 3.57 -1.31 -2.80 116.94 117.98 2pyb h PHE 30 Ca -0.40 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 2pyb h PHE 30 Cb 2.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.77 2pyb h PHE 30 CO 0.06 0.40 -0.06 -0.92 -2.23 0.00 0.00 178.31 175.55 2pyb h TYR 31 N 0.00 -0.17 0.00 0.41 3.20 -0.80 -1.24 116.97 118.36 2pyb h TYR 31 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2pyb h TYR 31 Cb 1.11 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2pyb h TYR 31 CO 0.00 -0.10 0.00 0.43 -1.64 0.00 0.00 178.16 176.85 2pyb n SER 32 N -2.49 0.28 0.05 -2.11 7.64 -1.16 -1.29 113.62 114.55 2pyb n SER 32 Ca -0.02 0.58 -0.20 0.00 1.01 0.00 0.00 58.87 60.23 2pyb n SER 32 Cb 0.07 -0.64 -0.12 0.00 -1.01 0.00 0.00 64.21 62.51 2pyb n SER 32 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2pyb h ASN 33 N 0.00 0.77 -0.31 6.43 2.35 -1.43 -2.46 115.58 120.93 2pyb h ASN 33 Ca 0.00 -0.80 0.06 0.00 -0.55 0.00 0.00 56.30 55.01 2pyb h ASN 33 Cb 0.25 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.33 2pyb h ASN 33 CO 0.00 1.48 -0.05 -0.07 -1.65 0.00 0.00 177.43 177.14 2pyb h LEU 34 N 0.15 -0.24 0.00 1.61 3.38 0.06 0.79 115.31 121.07 2pyb h LEU 34 Ca -0.14 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2pyb h LEU 34 Cb 1.69 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.61 2pyb h LEU 34 CO 0.19 -0.08 0.00 0.54 0.09 0.00 0.00 178.44 179.18 2pyb n ARG 35 N -5.23 0.60 -0.06 1.13 1.74 -0.87 -0.02 116.66 113.96 2pyb n ARG 35 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 2pyb n ARG 35 Cb 0.17 -1.07 -0.05 0.00 -1.02 0.00 0.00 32.46 30.50 2pyb n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pyb n GLY 36 N 0.11 -0.16 0.11 -0.13 0.00 0.22 -3.56 105.19 101.78 2pyb n GLY 36 Ca 0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 2pyb n GLY 36 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2pyb h ILE 37 N -0.04 1.12 -0.21 -0.61 2.04 0.12 -2.46 117.51 117.47 2pyb h ILE 37 Ca -0.25 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.29 2pyb h ILE 37 Cb 1.37 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 2pyb h ILE 37 CO -0.05 0.12 0.15 -0.74 0.00 0.00 0.00 178.15 177.62 2pyb h HIS 38 N 0.16 0.13 0.06 1.37 2.76 -0.65 -1.57 115.15 117.40 2pyb h HIS 38 Ca 0.06 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 57.88 2pyb h HIS 38 Cb 0.11 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 28.99 2pyb h HIS 38 CO -0.03 0.07 -2.06 0.91 -1.30 0.00 0.00 177.93 175.52 2pyb n TRP 39 N -4.50 0.86 -0.01 5.26 8.01 -1.09 -4.60 117.44 121.36 2pyb n TRP 39 Ca 0.01 0.21 -0.03 0.00 -1.31 0.00 0.00 57.50 56.39 2pyb n TRP 39 Cb 0.20 -1.12 -0.12 0.00 -2.01 0.00 0.00 31.31 28.25 2pyb n TRP 39 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 2pyb n ASN 40 N -3.28 0.55 -1.24 -0.99 3.02 -0.95 -5.01 115.26 107.38 2pyb n ASN 40 Ca -0.31 0.25 -0.14 0.00 -0.03 0.00 0.00 54.58 54.35 2pyb n ASN 40 Cb 1.05 0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 40.74 2pyb n ASN 40 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2pyb n ILE 41 N -2.81 0.44 -3.02 2.41 -5.35 -0.59 -4.94 119.36 105.50 2pyb n ILE 41 Ca -0.16 -0.11 -0.07 0.00 -0.27 0.00 0.00 62.75 62.14 2pyb n ILE 41 Cb 0.92 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.81 2pyb n ILE 41 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2pyb s LYS 42 N -0.22 0.95 0.29 6.28 1.02 -1.26 -5.07 119.74 121.72 2pyb s LYS 42 Ca 0.19 -0.98 0.04 0.00 0.02 0.00 0.00 55.97 55.25 2pyb s LYS 42 Cb -0.28 -0.26 -0.03 0.00 -0.52 0.00 0.00 37.83 36.74 2pyb s LYS 42 CO 0.16 -1.29 0.21 0.34 -0.92 0.00 0.00 175.35 173.85 2pyb s ASP 43 N 1.07 1.29 -0.02 2.83 2.15 -1.26 -4.59 116.67 118.14 2pyb s ASP 43 Ca 0.25 -1.62 -0.25 0.00 0.43 0.00 0.00 52.55 51.36 2pyb s ASP 43 Cb -0.02 0.48 -0.19 0.00 -0.30 0.00 0.00 42.92 42.88 2pyb s ASP 43 CO -0.07 -0.97 1.22 0.74 -0.17 0.00 0.00 175.17 175.92 2pyb h THR 44 N 2.27 1.23 -0.92 1.71 2.02 -2.06 -2.99 112.91 114.18 2pyb h THR 44 Ca -0.30 -1.07 0.16 0.00 0.77 0.00 0.00 66.41 65.97 2pyb h THR 44 Cb 1.24 1.92 -0.08 0.00 -1.74 0.00 0.00 68.15 69.50 2pyb h THR 44 CO 0.44 0.26 0.59 0.78 0.37 0.00 0.00 175.52 177.96 2pyb h ASN 45 N -0.57 0.65 0.00 4.18 4.21 -2.03 -3.42 115.58 118.62 2pyb h ASN 45 Ca -0.01 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.55 2pyb h ASN 45 Cb 0.49 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 2pyb h ASN 45 CO 0.01 0.31 0.00 0.33 -1.29 0.00 0.00 177.43 176.79 2pyb n PHE 46 N -4.58 0.00 -0.19 1.19 7.35 -1.13 -2.47 117.46 117.62 2pyb n PHE 46 Ca 0.19 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.93 2pyb n PHE 46 Cb 0.51 0.00 0.11 0.00 0.35 0.00 0.00 39.48 40.44 2pyb n PHE 46 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2pyb n PHE 47 N 0.00 0.25 0.14 -5.13 0.99 -1.26 0.10 117.46 112.55 2pyb n PHE 47 Ca 0.00 0.65 -0.06 0.00 -0.00 0.00 0.00 57.45 58.04 2pyb n PHE 47 Cb 0.00 -0.85 -0.03 0.00 -1.00 0.00 0.00 39.48 37.60 2pyb n PHE 47 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2pyb h VAL 48 N 0.00 0.00 0.00 -4.37 2.07 -1.86 -2.96 116.25 109.13 2pyb h VAL 48 Ca 0.28 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2pyb h VAL 48 Cb 0.50 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2pyb h VAL 48 CO -0.54 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.06 2pyb n ILE 49 N -4.57 0.39 -0.05 4.57 0.13 0.04 -0.17 119.36 119.69 2pyb n ILE 49 Ca -0.05 0.11 -0.04 0.00 -1.10 0.00 0.00 62.75 61.66 2pyb n ILE 49 Cb 0.16 -1.11 -0.15 0.00 -0.84 0.00 0.00 39.64 37.71 2pyb n ILE 49 CO 0.00 0.00 0.00 1.57 2.80 0.00 0.00 176.55 180.92 2pyb n HIS 50 N -1.06 0.29 -0.04 9.51 -0.00 0.28 -3.82 115.22 120.38 2pyb n HIS 50 Ca 0.00 0.10 -0.19 0.00 0.46 0.00 0.00 57.72 58.09 2pyb n HIS 50 Cb 0.01 -0.95 -0.13 0.00 -0.12 0.00 0.00 29.99 28.80 2pyb n HIS 50 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 2pyb h LYS 51 N 0.00 0.11 0.00 1.57 1.57 -0.39 -3.33 116.57 116.09 2pyb h LYS 51 Ca -0.35 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.20 2pyb h LYS 51 Cb 1.89 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 34.26 2pyb h LYS 51 CO 0.03 1.09 -0.15 -0.22 -0.57 0.00 0.00 179.45 179.64 2pyb h LYS 52 N -0.70 0.00 0.07 3.15 1.63 -1.08 0.10 116.57 119.74 2pyb h LYS 52 Ca -0.21 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.30 2pyb h LYS 52 Cb 1.41 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 33.06 2pyb h LYS 52 CO -0.02 0.15 -1.16 1.15 -3.45 0.00 0.00 179.45 176.12 2pyb h THR 53 N 0.00 1.29 -0.81 1.00 2.02 -1.75 -2.72 112.91 111.94 2pyb h THR 53 Ca -0.00 -2.39 -0.04 0.00 0.77 0.00 0.00 66.41 64.75 2pyb h THR 53 Cb 0.41 2.57 -0.04 0.00 -1.74 0.00 0.00 68.15 69.34 2pyb h THR 53 CO 0.02 0.73 0.36 -0.61 0.37 0.00 0.00 175.52 176.39 2pyb h GLN 54 N 0.32 1.19 0.00 6.66 4.15 -1.52 -0.76 115.11 125.15 2pyb h GLN 54 Ca -0.16 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.07 2pyb h GLN 54 Cb 1.82 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.30 2pyb h GLN 54 CO 0.22 0.94 0.00 1.17 -1.93 0.00 0.00 178.83 179.23 2pyb n LYS 55 N -4.31 0.00 -0.09 1.69 4.81 0.30 -1.54 118.16 119.01 2pyb n LYS 55 Ca 0.08 0.32 -0.11 0.00 -0.87 0.00 0.00 58.31 57.72 2pyb n LYS 55 Cb 0.16 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 33.67 2pyb n LYS 55 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2pyb n LEU 56 N -1.50 1.90 0.12 3.14 0.00 -0.35 -3.77 117.00 116.54 2pyb n LEU 56 Ca 0.03 0.43 0.10 0.00 0.00 0.00 0.00 56.01 56.57 2pyb n LEU 56 Cb 0.13 -0.80 0.48 0.00 0.00 0.00 0.00 43.42 43.22 2pyb n LEU 56 CO 0.10 -0.19 0.81 0.00 0.00 0.00 0.00 177.39 178.10 2pyb n TYR 57 N -4.48 0.65 0.02 1.96 0.18 -0.86 0.41 117.16 115.05 2pyb n TYR 57 Ca -0.18 0.30 -0.08 0.00 1.88 0.00 0.00 57.90 59.81 2pyb n TYR 57 Cb 0.50 -0.98 -0.13 0.00 -0.38 0.00 0.00 39.34 38.35 2pyb n TYR 57 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 2pyb h GLU 58 N 0.00 0.01 0.00 -3.48 4.81 -1.47 -2.80 114.58 111.65 2pyb h GLU 58 Ca 0.00 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.03 2pyb h GLU 58 Cb 0.17 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2pyb h GLU 58 CO 0.00 0.79 -1.41 1.88 -0.73 0.00 0.00 179.01 179.54 2pyb h TYR 59 N 0.00 0.00 -0.07 0.92 -1.99 -1.05 -3.20 116.97 111.58 2pyb h TYR 59 Ca -0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.59 2pyb h TYR 59 Cb 1.89 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.62 2pyb h TYR 59 CO 0.00 0.61 0.00 0.44 -0.00 0.00 0.00 178.16 179.21 2pyb n ILE 60 N -2.91 0.07 0.01 -2.88 -6.64 0.17 -3.31 119.36 103.86 2pyb n ILE 60 Ca -0.10 -0.38 -0.18 0.00 -1.77 0.00 0.00 62.75 60.32 2pyb n ILE 60 Cb 0.85 0.83 -0.11 0.00 -1.44 0.00 0.00 39.64 39.77 2pyb n ILE 60 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 2pyb h GLU 61 N 3.23 0.48 0.00 6.28 4.81 -1.49 -2.38 114.58 125.51 2pyb h GLU 61 Ca 0.00 -0.51 -0.06 0.00 -0.13 0.00 0.00 59.36 58.66 2pyb h GLU 61 Cb 0.69 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2pyb h GLU 61 CO 0.00 1.15 -0.27 0.87 -0.73 0.00 0.00 179.01 180.03 2pyb h LYS 62 N 0.02 0.00 0.00 1.92 1.57 -1.60 -2.76 116.57 115.72 2pyb h LYS 62 Ca -0.09 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.53 2pyb h LYS 62 Cb 1.40 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.68 2pyb h LYS 62 CO 0.14 0.27 -0.76 0.82 -0.57 0.00 0.00 179.45 179.35 2pyb h ILE 63 N 0.00 1.44 -0.24 1.86 1.08 -1.54 -3.06 117.51 117.05 2pyb h ILE 63 Ca -0.00 -2.72 -0.19 0.00 -0.39 0.00 0.00 64.86 61.56 2pyb h ILE 63 Cb 0.80 2.51 0.00 0.00 -3.07 0.00 0.00 36.82 37.06 2pyb h ILE 63 CO 0.04 0.75 -0.59 0.40 -0.69 0.00 0.00 178.15 178.05 2pyb h ILE 64 N 0.00 1.29 -0.04 -0.67 2.04 -1.15 -1.43 117.51 117.55 2pyb h ILE 64 Ca -0.01 -1.80 -0.03 0.00 1.00 0.00 0.00 64.86 64.02 2pyb h ILE 64 Cb 1.45 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 2pyb h ILE 64 CO 0.10 0.58 -0.09 -0.78 0.00 0.00 0.00 178.15 177.96 2pyb h ASP 65 N 0.59 0.14 -0.41 1.72 3.58 -1.56 -2.61 116.42 117.88 2pyb h ASP 65 Ca 0.00 -0.58 -0.03 0.00 0.42 0.00 0.00 57.03 56.84 2pyb h ASP 65 Cb 1.19 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.18 2pyb h ASP 65 CO 0.13 0.70 0.13 0.16 -2.88 0.00 0.00 179.24 177.47 2pyb h ILE 66 N -0.41 1.22 -0.78 2.25 3.07 -1.62 0.33 117.51 121.57 2pyb h ILE 66 Ca 0.00 -0.71 0.16 0.00 1.55 0.00 0.00 64.86 65.87 2pyb h ILE 66 Cb 0.68 0.91 -0.05 0.00 -0.27 0.00 0.00 36.82 38.08 2pyb h ILE 66 CO 0.02 0.25 0.52 0.58 -1.05 0.00 0.00 178.15 178.47 2pyb h VAL 67 N 0.51 0.76 -0.10 0.16 2.07 -1.32 0.41 116.25 118.75 2pyb h VAL 67 Ca 0.13 -0.13 -0.16 0.00 0.82 0.00 0.00 66.70 67.35 2pyb h VAL 67 Cb 0.26 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2pyb h VAL 67 CO -0.00 0.07 -0.64 0.00 0.02 0.00 0.00 177.57 177.02 2pyb h ALA 68 N 1.64 0.71 0.00 1.67 0.00 -0.71 -3.11 119.26 119.45 2pyb h ALA 68 Ca 0.39 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2pyb h ALA 68 Cb 0.94 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2pyb h ALA 68 CO -0.12 0.73 0.00 0.39 0.00 0.00 0.00 179.25 180.25 2pyb n GLU 69 N -3.88 0.22 -0.14 0.00 1.02 0.13 -2.34 120.64 115.66 2pyb n GLU 69 Ca -0.03 0.32 -0.12 0.00 -0.02 0.00 0.00 57.16 57.30 2pyb n GLU 69 Cb 0.65 -1.83 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 2pyb n GLU 69 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2pyb h ARG 70 N 0.00 0.88 0.07 3.49 9.65 -1.09 -1.20 114.38 126.19 2pyb h ARG 70 Ca 0.00 -0.40 -0.00 0.00 -1.10 0.00 0.00 59.98 58.48 2pyb h ARG 70 Cb 0.54 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 2pyb h ARG 70 CO 0.00 1.05 -0.12 1.03 2.80 0.00 0.00 179.97 184.72 2pyb h SER 71 N 0.70 -0.36 -0.55 -3.80 0.87 -1.56 -1.24 113.55 107.62 2pyb h SER 71 Ca 0.09 0.03 0.16 0.00 -1.23 0.00 0.00 61.79 60.84 2pyb h SER 71 Cb 0.80 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 2pyb h SER 71 CO 0.07 -0.15 0.62 0.03 -0.53 0.00 0.00 176.83 176.87 2pyb h ARG 72 N -0.21 0.00 -0.17 2.24 2.47 -1.46 -1.63 114.38 115.62 2pyb h ARG 72 Ca -0.01 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.76 2pyb h ARG 72 Cb 0.19 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.46 2pyb h ARG 72 CO -0.04 0.00 -0.18 0.52 0.56 0.00 0.00 179.97 180.83 2pyb h MET 73 N 0.00 -0.19 0.00 0.04 2.86 0.04 -3.34 114.93 114.33 2pyb h MET 73 Ca 0.26 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2pyb h MET 73 Cb 1.50 0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.21 2pyb h MET 73 CO -0.00 -0.13 0.00 1.28 1.06 0.00 0.00 176.91 179.12 2pyb n LEU 74 N -5.32 1.26 0.00 1.22 4.77 -0.62 -4.98 117.00 113.33 2pyb n LEU 74 Ca -0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2pyb n LEU 74 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2pyb n LEU 74 CO 0.20 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2pyb n GLY 75 N 1.09 0.00 3.72 -0.72 0.00 -1.19 -5.14 105.19 102.95 2pyb n GLY 75 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2pyb n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pyb s TYR 76 N -0.04 1.96 -0.38 1.61 1.51 -1.21 -4.88 117.35 115.92 2pyb s TYR 76 Ca 0.00 1.55 -0.04 0.00 -1.01 0.00 0.00 57.07 57.57 2pyb s TYR 76 Cb 0.00 -3.64 0.08 0.00 -0.11 0.00 0.00 41.96 38.30 2pyb s TYR 76 CO 0.00 -2.94 0.15 -0.51 -1.11 0.00 0.00 175.55 171.14 2pyb s ASP 77 N -1.64 5.22 0.85 2.29 1.01 -1.26 -2.75 116.67 120.39 2pyb s ASP 77 Ca 0.80 -1.67 -0.15 0.00 0.71 0.00 0.00 52.55 52.24 2pyb s ASP 77 Cb -0.35 -1.83 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 2pyb s ASP 77 CO 0.44 -0.45 0.34 -0.24 0.21 0.00 0.00 175.17 175.47 2pyb n SER 78 N 4.67 -2.09 -4.85 0.27 2.88 -1.26 -5.04 113.62 108.20 2pyb n SER 78 Ca -0.07 0.44 -0.21 0.00 -1.33 0.00 0.00 58.87 57.69 2pyb n SER 78 Cb 0.42 -1.16 -0.04 0.00 -0.75 0.00 0.00 64.21 62.69 2pyb n SER 78 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2pyb s GLU 79 N -3.05 2.62 0.00 -1.46 2.56 -1.26 -5.02 118.70 113.09 2pyb s GLU 79 Ca 0.59 -1.41 0.00 0.00 0.00 0.00 0.00 54.97 54.15 2pyb s GLU 79 Cb -0.27 -2.42 0.00 0.00 2.00 0.00 0.00 34.13 33.44 2pyb s GLU 79 CO 0.65 -0.02 0.01 1.97 -0.56 0.00 0.00 175.26 177.31 2pyb n PHE 80 N -1.43 0.00 -2.09 5.30 1.16 -1.26 -5.11 117.46 114.03 2pyb n PHE 80 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.24 2pyb n PHE 80 Cb 0.61 0.03 0.02 0.00 -1.61 0.00 0.00 39.48 38.53 2pyb n PHE 80 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 2pyb s ARG 81 N 0.00 3.17 -0.02 3.97 0.52 -1.26 -4.97 118.95 120.36 2pyb s ARG 81 Ca 0.00 1.54 0.05 0.00 -0.52 0.00 0.00 55.73 56.80 2pyb s ARG 81 Cb 0.00 -1.99 -0.24 0.00 0.52 0.00 0.00 34.95 33.24 2pyb s ARG 81 CO 0.00 -0.98 0.75 1.88 0.02 0.00 0.00 175.30 176.97 2pyb h TYR 82 N 0.81 0.19 -0.92 -0.53 0.05 -2.00 -3.30 116.97 111.27 2pyb h TYR 82 Ca -0.49 -0.14 0.15 0.00 0.05 0.00 0.00 58.73 58.30 2pyb h TYR 82 Cb 1.26 -0.01 -0.08 0.00 1.01 0.00 0.00 36.73 38.91 2pyb h TYR 82 CO 0.52 1.22 0.59 1.03 -1.05 0.00 0.00 178.16 180.47 2pyb h SER 83 N 0.03 0.68 -0.32 3.88 0.87 -1.97 0.12 113.55 116.85 2pyb h SER 83 Ca -0.26 0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.27 2pyb h SER 83 Cb 1.99 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 63.81 2pyb h SER 83 CO 0.11 0.33 0.10 1.21 -0.53 0.00 0.00 176.83 178.05 2pyb n GLU 84 N -4.59 2.36 0.02 2.24 2.13 -1.24 -3.83 120.64 117.74 2pyb n GLU 84 Ca 0.18 -1.39 0.00 0.00 0.66 0.00 0.00 57.16 56.61 2pyb n GLU 84 Cb 0.49 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.46 2pyb n GLU 84 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2pyb n PHE 85 N 0.11 -0.00 0.58 4.31 3.72 0.39 -4.11 117.46 122.46 2pyb n PHE 85 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 2pyb n PHE 85 Cb 0.79 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.33 2pyb n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2pyb n MET 86 N -3.19 0.79 0.00 -1.08 0.00 -0.94 -1.74 117.12 110.97 2pyb n MET 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2pyb n MET 86 Cb 0.31 -1.10 0.00 0.00 0.00 0.00 0.00 33.22 32.43 2pyb n MET 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2pyb n LYS 87 N 0.78 0.00 0.02 3.17 4.81 -1.25 -4.92 118.16 120.77 2pyb n LYS 87 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.26 2pyb n LYS 87 Cb 0.40 -0.09 -0.08 0.00 0.02 0.00 0.00 35.03 35.28 2pyb n LYS 87 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2pyb h LYS 88 N 0.00 0.69 -6.75 1.64 1.79 -1.66 -3.47 116.57 108.82 2pyb h LYS 88 Ca 0.00 -0.67 -0.57 0.00 -2.18 0.00 0.00 60.65 57.23 2pyb h LYS 88 Cb 0.00 0.17 0.15 0.00 -1.58 0.00 0.00 32.23 30.97 2pyb h LYS 88 CO 0.00 1.26 0.15 0.45 -1.08 0.00 0.00 179.45 180.24 2pyb n SER 89 N -3.87 1.06 -1.72 0.86 2.88 -0.71 -4.88 113.62 107.24 2pyb n SER 89 Ca -0.09 0.92 -0.14 0.00 -1.33 0.00 0.00 58.87 58.23 2pyb n SER 89 Cb 0.82 -1.38 0.19 0.00 -0.75 0.00 0.00 64.21 63.10 2pyb n SER 89 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2pyb n PHE 90 N -1.10 2.12 -3.75 0.66 -0.00 -1.26 -4.88 117.46 109.25 2pyb n PHE 90 Ca 0.11 -1.72 -0.13 0.00 -0.00 0.00 0.00 57.45 55.71 2pyb n PHE 90 Cb 0.43 -0.73 -0.13 0.00 -0.00 0.00 0.00 39.48 39.06 2pyb n PHE 90 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 2pyb s ILE 91 N -3.27 -0.03 0.31 -2.13 1.01 -1.26 -5.01 121.20 110.82 2pyb s ILE 91 Ca 0.51 0.10 0.08 0.00 0.00 0.00 0.00 60.65 61.34 2pyb s ILE 91 Cb 0.44 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 42.54 2pyb s ILE 91 CO 0.06 0.04 0.22 -0.54 0.00 0.00 0.00 174.94 174.71 2pyb s LYS 92 N 0.87 2.68 0.83 2.79 1.02 -1.26 -4.95 119.74 121.72 2pyb s LYS 92 Ca -0.06 -1.29 -0.11 0.00 0.02 0.00 0.00 55.97 54.53 2pyb s LYS 92 Cb -0.08 -2.42 0.09 0.00 -0.52 0.00 0.00 37.83 34.91 2pyb s LYS 92 CO -0.05 0.20 1.10 -1.21 -0.92 0.00 0.00 175.35 174.47 2pyb s GLU 93 N -3.90 1.74 -0.07 1.68 2.02 -1.26 -4.98 118.70 113.93 2pyb s GLU 93 Ca 0.37 1.18 -0.04 0.00 0.02 0.00 0.00 54.97 56.51 2pyb s GLU 93 Cb -0.06 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 2pyb s GLU 93 CO 0.25 -2.01 0.10 -0.51 0.02 0.00 0.00 175.26 173.11 2pyb s LEU 94 N -6.15 4.08 0.00 1.80 1.43 -1.26 -5.10 118.68 113.48 2pyb s LEU 94 Ca 0.63 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 2pyb s LEU 94 Cb -0.19 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.91 2pyb s LEU 94 CO 0.57 0.35 0.00 -0.67 0.23 0.00 0.00 176.35 176.83 2pyb n ASP 95 N 1.71 -0.77 -1.77 2.29 2.03 -1.26 -4.78 116.55 114.00 2pyb n ASP 95 Ca -0.17 -0.18 -0.15 0.00 0.52 0.00 0.00 54.79 54.81 2pyb n ASP 95 Cb 0.54 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.01 2pyb n ASP 95 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2pyb n ILE 96 N -1.81 2.45 -0.80 5.18 2.08 -1.26 -4.99 119.36 120.20 2pyb n ILE 96 Ca 0.00 -1.32 0.00 0.00 0.56 0.00 0.00 62.75 61.99 2pyb n ILE 96 Cb 0.00 -0.96 0.00 0.00 -0.75 0.00 0.00 39.64 37.93 2pyb n ILE 96 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 2pyb n GLU 97 N -0.13 0.00 0.00 0.38 0.28 -1.26 -4.89 120.64 115.02 2pyb n GLU 97 Ca 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 2pyb n GLU 97 Cb 0.91 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.78 2pyb n GLU 97 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2pyb n SER 98 N -3.84 0.00 -1.30 -1.84 2.88 -1.26 -5.16 113.62 103.11 2pyb n SER 98 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2pyb n SER 98 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2pyb n SER 98 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2pyb n THR 99 N -0.60 0.00 0.02 2.46 -1.04 -1.26 -5.07 114.28 108.79 2pyb n THR 99 Ca 0.00 -0.09 -0.07 0.00 -2.04 0.00 0.00 64.05 61.86 2pyb n THR 99 Cb 0.00 0.11 -0.05 0.00 -1.82 0.00 0.00 70.33 68.57 2pyb n THR 99 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2pyb h SER 100 N 0.27 -0.14 -2.71 8.00 0.02 -1.98 -3.47 113.55 113.54 2pyb h SER 100 Ca -0.04 -0.24 -0.46 0.00 -0.84 0.00 0.00 61.79 60.21 2pyb h SER 100 Cb 0.16 0.04 0.09 0.00 0.14 0.00 0.00 62.40 62.83 2pyb h SER 100 CO 0.05 0.43 0.16 0.54 -1.14 0.00 0.00 176.83 176.87 2pyb s ASN 101 N -5.50 4.32 -0.29 3.07 4.22 -1.26 -4.95 114.94 114.55 2pyb s ASN 101 Ca -0.08 -0.11 0.04 0.00 -2.14 0.00 0.00 52.86 50.57 2pyb s ASN 101 Cb -0.00 -0.31 0.19 0.00 1.28 0.00 0.00 41.25 42.41 2pyb s ASN 101 CO 0.28 -1.88 0.54 -0.36 -2.04 0.00 0.00 177.10 173.63 2pyb s PHE 102 N -3.23 -1.59 0.51 1.54 0.08 -1.26 -5.00 117.98 109.03 2pyb s PHE 102 Ca 0.66 0.94 0.20 0.00 0.12 0.00 0.00 56.93 58.85 2pyb s PHE 102 Cb -0.06 0.21 1.30 0.00 -0.57 0.00 0.00 43.02 43.89 2pyb s PHE 102 CO 0.45 -1.03 2.05 1.25 -0.10 0.00 0.00 175.22 177.84 2pyb h LEU 103 N 8.05 0.05-10.48 -0.37 6.46 -1.99 -3.43 115.31 113.60 2pyb h LEU 103 Ca -0.06 0.00 -0.46 0.00 -0.12 0.00 0.00 57.88 57.25 2pyb h LEU 103 Cb 1.17 -0.01 0.13 0.00 -0.73 0.00 0.00 40.66 41.22 2pyb h LEU 103 CO 0.19 0.03 0.29 -2.16 -0.62 0.00 0.00 178.44 176.17 2pyb s PRO 104 N -5.09 1.03 0.00 5.25 0.04 -1.26 -4.99 135.00 129.99 2pyb s PRO 104 Ca -0.05 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.28 2pyb s PRO 104 Cb 0.19 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.90 2pyb s PRO 104 CO 0.71 -2.27 0.14 0.45 0.04 0.00 0.00 177.00 176.07 2pyb n SER 105 N -3.82 0.00 -4.63 6.66 2.88 -1.26 -4.11 113.62 109.33 2pyb n SER 105 Ca 0.06 0.14 -0.43 0.00 -1.33 0.00 0.00 58.87 57.32 2pyb n SER 105 Cb 0.59 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.02 2pyb n SER 105 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pyb s MET 106 N -0.71 3.78 -0.24 -1.46 0.23 -1.26 -4.86 119.30 114.78 2pyb s MET 106 Ca 0.00 2.04 0.10 0.00 -1.03 0.00 0.00 55.69 56.80 2pyb s MET 106 Cb 0.00 -4.14 0.44 0.00 -1.53 0.00 0.00 34.83 29.60 2pyb s MET 106 CO 0.00 -1.34 1.21 0.39 -2.03 0.00 0.00 175.02 173.25 2pyb n GLU 107 N 7.81 2.38 0.00 3.16 1.02 -1.26 -4.93 120.64 128.82 2pyb n GLU 107 Ca 0.21 -3.64 0.00 0.00 -0.02 0.00 0.00 57.16 53.72 2pyb n GLU 107 Cb 0.44 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 2pyb n GLU 107 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2pyb n SER 108 N -0.93 0.00 0.11 1.62 3.41 -1.26 0.24 113.62 116.80 2pyb n SER 108 Ca 0.29 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 59.08 2pyb n SER 108 Cb 0.81 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.38 2pyb n SER 108 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2pyb h ILE 109 N 0.00 0.16 0.00 -1.33 3.07 -1.94 -2.72 117.51 114.75 2pyb h ILE 109 Ca 0.00 0.00 -0.14 0.00 1.55 0.00 0.00 64.86 66.27 2pyb h ILE 109 Cb 0.00 0.44 -0.02 0.00 -0.27 0.00 0.00 36.82 36.97 2pyb h ILE 109 CO 0.00 0.00 -1.40 0.52 -1.05 0.00 0.00 178.15 176.22 2pyb n VAL 110 N -3.29 0.57 -1.67 0.16 0.31 0.65 -4.82 118.33 110.23 2pyb n VAL 110 Ca 0.08 -0.08 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 2pyb n VAL 110 Cb 0.81 -1.64 -0.02 0.00 -0.91 0.00 0.00 33.84 32.08 2pyb n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pyb n SER 112 N 2.70 0.00 0.10 0.00 7.64 -1.14 -4.32 113.62 118.59 2pyb n SER 112 Ca 0.70 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 60.54 2pyb n SER 112 Cb 0.24 0.05 0.06 0.00 -1.01 0.00 0.00 64.21 63.54 2pyb n SER 112 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2pyb h LEU 113 N 0.00 0.05 -0.93 -3.43 3.38 -1.81 -3.29 115.31 109.27 2pyb h LEU 113 Ca 0.00 -0.04 0.21 0.00 0.09 0.00 0.00 57.88 58.14 2pyb h LEU 113 Cb 0.00 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 40.62 2pyb h LEU 113 CO 0.00 0.80 0.50 0.74 0.09 0.00 0.00 178.44 180.56 2pyb h THR 114 N 0.02 0.59 0.21 0.22 2.02 -1.87 -2.57 112.91 111.53 2pyb h THR 114 Ca -0.01 -0.19 -0.33 0.00 0.77 0.00 0.00 66.41 66.64 2pyb h THR 114 Cb 1.35 -0.02 0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2pyb h THR 114 CO 0.10 0.10 -1.53 -0.08 0.37 0.00 0.00 175.52 174.49 2pyb h GLU 115 N 0.56 0.44 -0.04 6.66 4.81 -1.90 -3.30 114.58 121.82 2pyb h GLU 115 Ca 0.57 -0.76 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 2pyb h GLU 115 Cb 0.99 0.28 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 2pyb h GLU 115 CO -0.45 1.35 -0.10 -0.84 -0.73 0.00 0.00 179.01 178.24 2pyb h ILE 116 N 0.12 1.10 -0.37 2.32 -0.00 -1.63 0.33 117.51 119.38 2pyb h ILE 116 Ca -0.26 -0.45 -0.03 0.00 -0.00 0.00 0.00 64.86 64.12 2pyb h ILE 116 Cb 2.12 1.19 -0.02 0.00 -0.00 0.00 0.00 36.82 40.10 2pyb h ILE 116 CO 0.23 0.13 0.11 -0.07 -0.00 0.00 0.00 178.15 178.56 2pyb h LEU 117 N 0.06 0.48 0.37 0.16 3.38 -1.54 -0.17 115.31 118.05 2pyb h LEU 117 Ca 0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2pyb h LEU 117 Cb 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2pyb h LEU 117 CO 0.01 0.47 -0.18 0.11 0.09 0.00 0.00 178.44 178.94 2pyb h LYS 118 N 0.52 -0.48 -0.47 1.13 1.79 -0.52 0.19 116.57 118.73 2pyb h LYS 118 Ca 0.13 0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.67 2pyb h LYS 118 Cb 0.16 0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 30.86 2pyb h LYS 118 CO -0.01 -0.19 -0.30 -0.91 -1.08 0.00 0.00 179.45 176.95 2pyb h ASN 119 N -1.01 -1.10 -0.61 0.86 -0.26 -0.70 1.20 115.58 113.95 2pyb h ASN 119 Ca -0.05 0.16 0.04 0.00 -0.56 0.00 0.00 56.30 55.90 2pyb h ASN 119 Cb 0.52 0.48 -0.05 0.00 -1.06 0.00 0.00 38.32 38.21 2pyb h ASN 119 CO 0.08 -0.13 0.35 -0.29 -1.06 0.00 0.00 177.43 176.38 2pyb h ILE 120 N -0.03 1.01 -0.52 2.81 6.09 -1.13 0.46 117.51 126.19 2pyb h ILE 120 Ca 0.08 -0.23 0.06 0.00 -1.37 0.00 0.00 64.86 63.39 2pyb h ILE 120 Cb 0.23 0.28 -0.09 0.00 0.47 0.00 0.00 36.82 37.71 2pyb h ILE 120 CO -0.46 0.12 -0.54 0.15 -3.07 0.00 0.00 178.15 174.36 2pyb h PHE 121 N 0.67 -1.67 -0.19 2.19 3.57 0.24 0.28 116.94 122.03 2pyb h PHE 121 Ca 0.26 0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.89 2pyb h PHE 121 Cb 0.10 0.80 -0.07 0.00 2.79 0.00 0.00 35.95 39.57 2pyb h PHE 121 CO -0.07 -0.44 -0.51 0.78 -2.23 0.00 0.00 178.31 175.84 2pyb h GLY 122 N -0.29 -0.93 0.00 2.40 0.00 0.34 -3.07 103.07 101.51 2pyb h GLY 122 Ca 0.09 0.64 0.00 0.00 0.00 0.00 0.00 47.33 48.05 2pyb h GLY 122 CO -0.65 -0.19 0.00 -0.13 0.00 0.00 0.00 176.54 175.57 2pyb n MET 123 N -5.43 0.00 0.00 4.80 0.00 0.14 -2.57 117.12 114.06 2pyb n MET 123 Ca -0.05 0.61 0.00 0.00 -0.00 0.00 0.00 57.70 58.27 2pyb n MET 123 Cb 0.37 -1.24 0.00 0.00 0.00 0.00 0.00 33.22 32.35 2pyb n MET 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2pyb n ARG 124 N -1.77 0.00 -0.01 2.12 1.74 0.72 0.99 116.66 120.45 2pyb n ARG 124 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 2pyb n ARG 124 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2pyb n ARG 124 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2pyb h LYS 125 N 0.00 -0.14 -0.04 5.56 3.64 -1.56 3.32 116.57 127.35 2pyb h LYS 125 Ca 0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2pyb h LYS 125 Cb 0.00 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2pyb h LYS 125 CO 0.00 -0.09 0.03 1.25 -2.27 0.00 0.00 179.45 178.37 2pyb h LEU 126 N -0.14 0.00 0.05 5.20 5.85 0.51 0.51 115.31 127.29 2pyb h LEU 126 Ca 0.10 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.55 2pyb h LEU 126 Cb 0.29 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2pyb h LEU 126 CO -0.24 0.00 -1.40 0.40 -0.34 0.00 0.00 178.44 176.86 2pyb h ILE 127 N 0.00 1.27 0.00 4.05 2.04 -0.92 0.31 117.51 124.26 2pyb h ILE 127 Ca 0.02 -2.99 0.00 0.00 1.00 0.00 0.00 64.86 62.89 2pyb h ILE 127 Cb 0.09 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 2pyb h ILE 127 CO -0.00 0.79 0.00 -0.67 0.00 0.00 0.00 178.15 178.27 2pyb n ASP 128 N -3.31 1.18 0.12 1.72 2.03 1.09 -3.42 116.55 115.96 2pyb n ASP 128 Ca -0.11 -1.73 0.00 0.00 0.52 0.00 0.00 54.79 53.47 2pyb n ASP 128 Cb 1.01 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 2pyb n ASP 128 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2pyb n THR 129 N 0.16 0.00 0.00 5.18 -2.24 -0.42 -4.88 114.28 112.07 2pyb n THR 129 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2pyb n THR 129 Cb 0.26 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 2pyb n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pyb n ALA 130 N -3.23 0.91 -2.36 6.98 0.00 0.09 -4.79 120.51 118.11 2pyb n ALA 130 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2pyb n ALA 130 Cb 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 19.45 18.73 2pyb n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pyb n GLY 131 N -1.16 0.17 2.49 0.00 0.00 -1.23 -5.00 105.19 100.47 2pyb n GLY 131 Ca 0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 2pyb n GLY 131 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pyb n ASP 132 N -1.88 2.84 0.22 1.61 -0.08 -1.22 -4.90 116.55 113.14 2pyb n ASP 132 Ca -0.07 -3.31 0.16 0.00 -1.51 0.00 0.00 54.79 50.06 2pyb n ASP 132 Cb 0.55 -0.62 0.83 0.00 2.34 0.00 0.00 41.12 44.22 2pyb n ASP 132 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2pyb h TYR 133 N 3.61 0.00 -0.20 -0.67 -1.99 -1.95 -0.81 116.97 114.96 2pyb h TYR 133 Ca 0.14 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.73 2pyb h TYR 133 Cb 0.70 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.42 2pyb h TYR 133 CO 0.65 0.00 -0.45 0.78 -0.00 0.00 0.00 178.16 179.14 2pyb h GLY 134 N 0.00 0.56 0.50 3.88 0.00 -1.97 -0.80 103.07 105.24 2pyb h GLY 134 Ca 0.07 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 2pyb h GLY 134 CO -0.00 0.53 -0.12 -0.84 0.00 0.00 0.00 176.54 176.11 2pyb h THR 135 N 0.41 0.71 -0.41 4.70 2.02 -1.58 -3.22 112.91 115.55 2pyb h THR 135 Ca 0.03 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 66.36 2pyb h THR 135 Cb 0.95 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 2pyb h THR 135 CO 0.08 0.16 0.27 0.00 0.37 0.00 0.00 175.52 176.40 2pyb h ALA 136 N -0.34 1.72 -0.49 6.16 0.00 -1.51 0.48 119.26 125.28 2pyb h ALA 136 Ca -0.03 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2pyb h ALA 136 Cb 0.51 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2pyb h ALA 136 CO 0.06 0.25 0.33 -0.97 0.00 0.00 0.00 179.25 178.92 2pyb h ASN 137 N 0.54 0.26 0.00 0.00 -1.24 -1.15 0.30 115.58 114.30 2pyb h ASN 137 Ca 0.15 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.85 2pyb h ASN 137 Cb -0.04 -0.05 -0.06 0.00 0.73 0.00 0.00 38.32 38.90 2pyb h ASN 137 CO -0.03 0.16 -2.18 2.30 -1.29 0.00 0.00 177.43 176.39 2pyb n ILE 138 N -4.46 1.18 0.43 2.57 -6.64 -0.86 -3.50 119.36 108.08 2pyb n ILE 138 Ca 0.08 -0.61 -0.19 0.00 -1.77 0.00 0.00 62.75 60.25 2pyb n ILE 138 Cb 0.35 -0.85 -0.09 0.00 -1.44 0.00 0.00 39.64 37.61 2pyb n ILE 138 CO 0.00 0.00 0.00 0.24 -1.77 0.00 0.00 176.55 175.02 2pyb h MET 139 N 0.00 -1.06 0.00 6.28 2.86 0.22 0.93 114.93 124.16 2pyb h MET 139 Ca -0.47 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2pyb h MET 139 Cb 1.91 0.24 0.00 0.00 0.06 0.00 0.00 31.60 33.82 2pyb h MET 139 CO -0.02 -0.71 0.00 -3.47 1.06 0.00 0.00 176.91 173.78 2pyb n ASP 140 N -5.57 0.00 0.02 1.22 2.03 0.10 -0.29 116.55 114.06 2pyb n ASP 140 Ca -0.15 -0.52 -0.07 0.00 0.52 0.00 0.00 54.79 54.57 2pyb n ASP 140 Cb 0.45 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.72 2pyb n ASP 140 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2pyb h ASP 141 N 0.00 0.00 0.79 1.67 -0.00 -0.90 -3.34 116.42 114.64 2pyb h ASP 141 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.03 56.84 2pyb h ASP 141 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.31 2pyb h ASP 141 CO 0.00 0.97 -0.91 0.40 -0.00 0.00 0.00 179.24 179.70 2pyb h ILE 142 N 0.00 1.59 -0.64 2.25 1.08 0.48 -2.84 117.51 119.43 2pyb h ILE 142 Ca -0.16 -2.92 -0.08 0.00 -0.39 0.00 0.00 64.86 61.30 2pyb h ILE 142 Cb 1.88 2.61 -0.02 0.00 -3.07 0.00 0.00 36.82 38.21 2pyb h ILE 142 CO 0.10 0.84 0.07 0.24 -0.69 0.00 0.00 178.15 178.71 2pyb h MET 143 N 0.03 1.08 -0.10 2.37 2.86 -1.66 0.95 114.93 120.47 2pyb h MET 143 Ca -0.03 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 2pyb h MET 143 Cb 1.58 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 33.12 2pyb h MET 143 CO 0.13 1.01 0.06 0.77 1.06 0.00 0.00 176.91 179.94 2pyb h SER 144 N 0.99 0.11 0.00 1.22 0.02 -1.68 1.63 113.55 115.85 2pyb h SER 144 Ca 0.19 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2pyb h SER 144 Cb 0.48 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2pyb h SER 144 CO 0.02 0.11 0.00 -0.67 -1.14 0.00 0.00 176.83 175.15 2pyb n ASP 145 N -5.01 0.00 0.12 3.07 -0.08 -0.69 -2.10 116.55 111.87 2pyb n ASP 145 Ca -0.05 0.46 0.17 0.00 -1.51 0.00 0.00 54.79 53.85 2pyb n ASP 145 Cb 0.04 0.00 0.72 0.00 2.34 0.00 0.00 41.12 44.22 2pyb n ASP 145 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2pyb h LEU 146 N 0.00 0.00 -0.68 -2.67 3.38 0.95 -2.69 115.31 113.60 2pyb h LEU 146 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2pyb h LEU 146 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2pyb h LEU 146 CO 0.00 0.00 0.42 -0.33 0.09 0.00 0.00 178.44 178.62 2pyb h GLU 147 N 0.00 0.79 -0.23 1.13 5.08 0.30 -2.30 114.58 119.34 2pyb h GLU 147 Ca 0.15 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2pyb h GLU 147 Cb 0.64 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2pyb h GLU 147 CO -0.00 0.52 -0.02 0.87 -1.00 0.00 0.00 179.01 179.38 2pyb h LYS 148 N 0.81 0.34 0.00 2.33 1.57 -1.24 -1.24 116.57 119.14 2pyb h LYS 148 Ca 0.27 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2pyb h LYS 148 Cb 0.04 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2pyb h LYS 148 CO -0.11 0.38 0.00 0.72 -0.57 0.00 0.00 179.45 179.87 2pyb n HIS 149 N -4.33 0.73 -0.05 -1.35 8.25 -0.90 -0.45 115.22 117.12 2pyb n HIS 149 Ca 0.00 0.26 -0.01 0.00 -0.26 0.00 0.00 57.72 57.71 2pyb n HIS 149 Cb 0.21 -0.92 -0.00 0.00 1.12 0.00 0.00 29.99 30.39 2pyb n HIS 149 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2pyb h LEU 150 N 0.00 0.00 -0.66 2.41 6.46 -0.87 -3.16 115.31 119.49 2pyb h LEU 150 Ca 0.00 0.00 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 2pyb h LEU 150 Cb 0.47 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.29 2pyb h LEU 150 CO 0.00 0.48 -0.51 -0.25 -0.62 0.00 0.00 178.44 177.54 2pyb h TRP 151 N -0.82 -1.56 -0.51 1.25 7.01 -1.21 -0.14 115.95 119.97 2pyb h TRP 151 Ca 0.00 0.10 0.10 0.00 2.11 0.00 0.00 58.89 61.20 2pyb h TRP 151 Cb 0.15 0.77 -0.10 0.00 -2.10 0.00 0.00 29.16 27.88 2pyb h TRP 151 CO -0.06 -0.43 -0.16 0.52 -2.79 0.00 0.00 178.44 175.51 2pyb h MET 152 N -0.21 -0.04 0.44 2.65 2.86 -0.93 -2.92 114.93 116.78 2pyb h MET 152 Ca 0.15 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2pyb h MET 152 Cb 0.54 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2pyb h MET 152 CO -0.74 -0.03 -0.21 0.45 1.06 0.00 0.00 176.91 177.44 2pyb h HIS 153 N -0.04 -0.55 0.00 -0.22 3.86 -1.03 -2.21 115.15 114.96 2pyb h HIS 153 Ca 0.24 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2pyb h HIS 153 Cb 0.42 0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.07 2pyb h HIS 153 CO -0.46 -0.25 0.00 1.63 0.86 0.00 0.00 177.93 179.70 2pyb n LYS 154 N -5.27 0.11 0.00 2.45 5.02 -0.58 0.16 118.16 120.05 2pyb n LYS 154 Ca -0.11 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.22 2pyb n LYS 154 Cb 0.29 -1.02 -0.04 0.00 -0.02 0.00 0.00 35.03 34.23 2pyb n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pyb n ALA 155 N -0.15 3.06 0.38 7.82 0.00 -0.84 -2.45 120.51 128.33 2pyb n ALA 155 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.30 2pyb n ALA 155 Cb 0.01 -0.30 0.22 0.00 0.00 0.00 0.00 19.45 19.37 2pyb n ALA 155 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2pyb h LEU 156 N 0.12 0.00 0.00 0.00 3.38 0.16 -3.42 115.31 115.55 2pyb h LEU 156 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2pyb h LEU 156 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2pyb h LEU 156 CO 0.00 0.02 0.00 0.18 0.09 0.00 0.00 178.44 178.73 2pyb n LEU 157 N -2.63 0.00 -3.56 1.67 4.77 -1.23 -5.15 117.00 110.87 2pyb n LEU 157 Ca 0.04 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 2pyb n LEU 157 Cb 0.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 2pyb n LEU 157 CO 0.34 0.00 0.67 -0.70 -1.33 0.00 0.00 177.39 176.37 2pyb s GLU 158 N 0.00 0.74 0.00 3.23 2.56 -1.03 -5.11 118.70 119.09 2pyb s GLU 158 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.97 55.15 2pyb s GLU 158 Cb 0.00 0.35 0.00 0.00 2.00 0.00 0.00 34.13 36.48 2pyb s GLU 158 CO 0.00 -0.23 0.00 0.27 -0.56 0.00 0.00 175.26 174.74 2pyb n ASN 159 N 0.79 0.00 0.00 -1.70 0.23 -1.19 -4.58 115.26 108.81 2pyb n ASN 159 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.92 2pyb n ASN 159 Cb 0.58 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 2pyb n ASN 159 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33