#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3juq s THR 10 N 0.00 4.67 0.03 3.41 -4.23 -1.26 -5.00 115.64 113.27 3juq s THR 10 Ca 0.00 -0.81 0.26 0.00 -1.18 0.00 0.00 61.69 59.95 3juq s THR 10 Cb 0.00 -3.66 0.27 0.00 1.34 0.00 0.00 72.50 70.45 3juq s THR 10 CO 0.00 -0.32 1.81 0.77 -0.54 0.00 0.00 174.62 176.33 3juq h SER 11 N 0.88 0.00 0.63 3.99 4.64 -2.05 0.01 113.55 121.65 3juq h SER 11 Ca -0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 3juq h SER 11 Cb 1.24 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3juq h SER 11 CO 0.58 0.17 -0.30 -0.08 -0.87 0.00 0.00 176.83 176.32 3juq h GLU 12 N 0.00 -0.81 -0.77 4.77 4.81 -1.99 0.50 114.58 121.09 3juq h GLU 12 Ca -0.00 0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 3juq h GLU 12 Cb 0.77 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 3juq h GLU 12 CO 0.02 -0.51 0.46 -0.91 -0.73 0.00 0.00 179.01 177.34 3juq h ASN 13 N -0.93 0.70 -0.90 1.04 2.35 -1.94 -1.37 115.58 114.52 3juq h ASN 13 Ca -0.09 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3juq h ASN 13 Cb 0.68 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.88 3juq h ASN 13 CO 0.14 0.45 0.60 0.03 -1.65 0.00 0.00 177.43 177.00 3juq h ARG 14 N 0.84 1.18 -0.67 0.81 3.08 -0.96 -0.71 114.38 117.95 3juq h ARG 14 Ca 0.34 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.28 3juq h ARG 14 Cb 0.17 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3juq h ARG 14 CO -0.17 0.78 0.29 0.00 -1.07 0.00 0.00 179.97 179.79 3juq h ALA 15 N 1.33 0.87 -0.29 0.04 0.00 -0.28 -1.93 119.26 119.01 3juq h ALA 15 Ca 0.33 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 3juq h ALA 15 Cb -0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3juq h ALA 15 CO -0.07 0.47 -0.47 1.96 0.00 0.00 0.00 179.25 181.14 3juq h GLN 16 N 0.95 0.78 -0.52 0.00 1.08 -1.05 -0.44 115.11 115.90 3juq h GLN 16 Ca 0.23 -0.44 -0.07 0.00 -1.45 0.00 0.00 58.65 56.91 3juq h GLN 16 Cb 0.18 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 3juq h GLN 16 CO -0.02 1.07 0.06 0.28 -0.95 0.00 0.00 178.83 179.27 3juq h VAL 17 N 0.62 1.26 -0.53 -0.54 2.07 -0.94 -0.67 116.25 117.51 3juq h VAL 17 Ca 0.03 -1.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.46 3juq h VAL 17 Cb 1.04 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3juq h VAL 17 CO 0.10 0.36 -0.03 0.00 0.02 0.00 0.00 177.57 178.01 3juq h ALA 18 N 0.97 0.72 -0.52 1.67 0.00 -1.20 -0.38 119.26 120.52 3juq h ALA 18 Ca 0.15 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.82 3juq h ALA 18 Cb 0.45 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3juq h ALA 18 CO 0.02 0.57 0.22 0.00 0.00 0.00 0.00 179.25 180.06 3juq h ALA 19 N 0.94 0.66 -0.46 0.00 0.00 -0.68 0.82 119.26 120.55 3juq h ALA 19 Ca 0.15 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3juq h ALA 19 Cb 0.58 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3juq h ALA 19 CO 0.03 -0.16 -0.03 -0.09 0.00 0.00 0.00 179.25 179.00 3juq h ARG 20 N 0.43 0.83 -0.75 0.00 2.43 -0.80 0.28 114.38 116.80 3juq h ARG 20 Ca 0.25 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3juq h ARG 20 Cb 0.23 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3juq h ARG 20 CO -0.22 0.90 0.35 1.96 -1.51 0.00 0.00 179.97 181.45 3juq h GLN 21 N 0.68 1.08 -0.22 0.20 4.20 -0.68 -0.16 115.11 120.21 3juq h GLN 21 Ca 0.13 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3juq h GLN 21 Cb 0.55 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3juq h GLN 21 CO 0.03 0.85 -0.06 1.25 -0.67 0.00 0.00 178.83 180.23 3juq h HIS 22 N 1.05 0.49 -0.43 2.96 2.76 -0.58 -2.81 115.15 118.59 3juq h HIS 22 Ca 0.26 -0.11 -0.08 0.00 -2.20 0.00 0.00 60.37 58.24 3juq h HIS 22 Cb 0.14 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 3juq h HIS 22 CO 0.01 0.68 -0.04 -0.91 -1.30 0.00 0.00 177.93 176.36 3juq h ASN 23 N 0.17 0.71 -0.26 3.26 2.35 -0.72 -2.33 115.58 118.75 3juq h ASN 23 Ca 0.06 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 3juq h ASN 23 Cb 0.52 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 3juq h ASN 23 CO 0.02 0.81 0.09 -0.09 -1.65 0.00 0.00 177.43 176.61 3juq h ARG 24 N 0.68 0.48 -0.18 0.81 2.43 -0.86 0.15 114.38 117.89 3juq h ARG 24 Ca 0.13 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 3juq h ARG 24 Cb 0.49 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3juq h ARG 24 CO 0.02 0.44 -0.43 0.87 -1.51 0.00 0.00 179.97 179.36 3juq h LYS 25 N 0.48 0.42 -0.23 0.20 1.79 -1.18 -0.17 116.57 117.88 3juq h LYS 25 Ca 0.11 -0.22 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 3juq h LYS 25 Cb 0.17 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 3juq h LYS 25 CO -0.01 0.77 0.05 0.82 -1.08 0.00 0.00 179.45 180.01 3juq h ILE 26 N 0.34 1.21 -0.63 1.86 1.08 -1.05 0.73 117.51 121.06 3juq h ILE 26 Ca 0.03 -0.70 0.04 0.00 -0.39 0.00 0.00 64.86 63.84 3juq h ILE 26 Cb 0.90 1.24 -0.04 0.00 -3.07 0.00 0.00 36.82 35.84 3juq h ILE 26 CO 0.08 0.22 0.37 0.58 -0.69 0.00 0.00 178.15 178.71 3juq h VAL 27 N 0.19 1.04 -0.41 1.67 2.07 -0.54 0.29 116.25 120.55 3juq h VAL 27 Ca 0.07 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3juq h VAL 27 Cb 0.29 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 3juq h VAL 27 CO 0.00 0.13 0.17 -0.33 0.02 0.00 0.00 177.57 177.56 3juq h GLU 28 N 0.72 0.34 -0.32 1.57 5.08 -0.89 -1.05 114.58 120.02 3juq h GLU 28 Ca 0.26 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 3juq h GLU 28 Cb 0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3juq h GLU 28 CO -0.13 0.22 0.20 1.96 -1.00 0.00 0.00 179.01 180.27 3juq h GLN 29 N 0.35 0.40 0.01 2.33 4.20 -0.32 -1.62 115.11 120.46 3juq h GLN 29 Ca 0.18 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.90 3juq h GLN 29 Cb 0.14 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3juq h GLN 29 CO -0.17 0.27 -0.19 -0.92 -0.67 0.00 0.00 178.83 177.16 3juq h TYR 30 N 0.42 -0.49 0.00 2.96 3.20 -0.65 -2.16 116.97 120.26 3juq h TYR 30 Ca 0.12 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 3juq h TYR 30 Cb -0.03 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3juq h TYR 30 CO -0.06 -0.27 -0.20 0.52 -1.64 0.00 0.00 178.16 176.51 3juq h MET 31 N -0.31 0.00 -0.09 1.82 2.86 -0.90 -2.75 114.93 115.56 3juq h MET 31 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3juq h MET 31 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3juq h MET 31 CO -0.17 0.20 0.00 0.72 1.06 0.00 0.00 176.91 178.72 3juq n HIS 32 N -3.76 0.10 -2.19 -0.22 8.25 -0.64 -4.57 115.22 112.19 3juq n HIS 32 Ca -0.02 -0.05 -0.42 0.00 -0.26 0.00 0.00 57.72 56.97 3juq n HIS 32 Cb 0.31 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 3juq n HIS 32 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3juq s THR 33 N -1.90 3.61 0.15 1.59 2.01 -0.84 -5.00 115.64 115.26 3juq s THR 33 Ca 0.32 1.02 0.02 0.00 0.31 0.00 0.00 61.69 63.35 3juq s THR 33 Cb 0.21 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 3juq s THR 33 CO 0.31 0.00 -0.01 -0.13 -0.69 0.00 0.00 174.62 174.10 3juq s ARG 34 N 2.35 1.02 3.96 4.92 0.52 -1.26 -4.85 118.95 125.60 3juq s ARG 34 Ca 0.65 -1.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 3juq s ARG 34 Cb -0.33 -0.21 0.00 0.00 0.52 0.00 0.00 34.95 34.93 3juq s ARG 34 CO 0.27 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.90 3juq n GLY 35 N -0.17 0.91 0.34 -3.53 0.00 -1.26 -2.95 105.19 98.52 3juq n GLY 35 Ca -0.08 -0.68 0.18 0.00 0.00 0.00 0.00 46.02 45.44 3juq n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3juq h GLU 36 N 0.00 0.00 0.00 1.61 4.39 -2.00 -0.93 114.58 117.65 3juq h GLU 36 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3juq h GLU 36 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3juq h GLU 36 CO 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 177.84 3juq h ALA 37 N 1.73 1.26 -0.08 3.43 0.00 -1.95 -1.49 119.26 122.17 3juq h ALA 37 Ca 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3juq h ALA 37 Cb 0.42 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3juq h ALA 37 CO -0.00 0.01 0.05 0.00 0.00 0.00 0.00 179.25 179.32 3juq h ARG 38 N 0.00 0.00 0.00 0.00 3.08 -1.28 -2.12 114.38 114.06 3juq h ARG 38 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3juq h ARG 38 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3juq h ARG 38 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 178.83 3juq h LEU 39 N 0.00 0.00 -2.27 3.04 3.38 -1.46 -2.82 115.31 115.17 3juq h LEU 39 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3juq h LEU 39 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3juq h LEU 39 CO -0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 3juq n LYS 40 N -2.83 1.70 0.22 1.13 5.02 -0.80 -4.67 118.16 117.92 3juq n LYS 40 Ca -0.02 -1.39 0.08 0.00 -2.02 0.00 0.00 58.31 54.96 3juq n LYS 40 Cb 0.10 -1.12 0.50 0.00 -0.02 0.00 0.00 35.03 34.50 3juq n LYS 40 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3juq h ARG 41 N 0.97 0.00 -0.04 1.97 2.43 -1.44 -1.87 114.38 116.40 3juq h ARG 41 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3juq h ARG 41 Cb 0.46 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3juq h ARG 41 CO 0.00 0.26 0.08 1.12 -1.51 0.00 0.00 179.97 179.92 3juq h HIS 42 N 0.00 0.00 0.00 2.20 2.07 -1.83 0.42 115.15 118.01 3juq h HIS 42 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3juq h HIS 42 Cb 0.60 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.58 3juq h HIS 42 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3juq n LEU 43 N -3.47 0.00 0.01 6.12 4.77 -0.70 -1.92 117.00 121.82 3juq n LEU 43 Ca -0.02 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 3juq n LEU 43 Cb 0.16 -0.49 0.57 0.00 -2.33 0.00 0.00 43.42 41.33 3juq n LEU 43 CO 0.23 -0.30 0.93 0.18 -1.33 0.00 0.00 177.39 177.11 3juq n LEU 44 N -1.49 0.11 -4.94 2.23 4.77 0.14 -4.88 117.00 112.94 3juq n LEU 44 Ca 0.03 0.51 -0.26 0.00 -0.03 0.00 0.00 56.01 56.26 3juq n LEU 44 Cb 0.13 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 3juq n LEU 44 CO 0.11 -0.05 -0.03 -0.36 -1.33 0.00 0.00 177.39 175.73 3juq s PHE 45 N -3.02 3.48 0.83 -1.77 0.08 -0.81 -0.42 117.98 116.37 3juq s PHE 45 Ca 0.13 0.22 -0.12 0.00 0.12 0.00 0.00 56.93 57.28 3juq s PHE 45 Cb 0.17 -1.75 0.10 0.00 -0.57 0.00 0.00 43.02 40.97 3juq s PHE 45 CO 0.52 0.44 1.18 0.95 -0.10 0.00 0.00 175.22 178.21 3juq s THR 46 N -1.82 2.14 0.33 0.64 -4.23 0.13 -4.71 115.64 108.12 3juq s THR 46 Ca 0.36 0.05 0.07 0.00 -1.18 0.00 0.00 61.69 61.00 3juq s THR 46 Cb -0.11 -2.35 0.31 0.00 1.34 0.00 0.00 72.50 71.69 3juq s THR 46 CO 0.29 -0.05 1.84 -0.08 -0.54 0.00 0.00 174.62 176.08 3juq h GLU 47 N -1.17 0.76 -0.63 3.99 4.57 -1.96 -0.33 114.58 119.81 3juq h GLU 47 Ca -0.45 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3juq h GLU 47 Cb 1.28 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3juq h GLU 47 CO 0.45 0.50 0.00 -0.40 -1.18 0.00 0.00 179.01 178.38 3juq n ASP 48 N -4.61 3.66 -4.72 1.04 3.85 -1.26 -1.04 116.55 113.47 3juq n ASP 48 Ca 0.19 -2.16 -0.37 0.00 -0.71 0.00 0.00 54.79 51.74 3juq n ASP 48 Cb 0.47 -0.46 0.07 0.00 -1.35 0.00 0.00 41.12 39.84 3juq n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3juq n GLY 49 N 1.29 0.50 3.27 6.12 0.00 -0.13 -4.27 105.19 111.97 3juq n GLY 49 Ca 0.21 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3juq n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3juq s VAL 50 N -1.41 2.08 0.19 1.61 1.01 -0.28 -0.19 120.40 123.40 3juq s VAL 50 Ca 0.82 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3juq s VAL 50 Cb -0.38 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3juq s VAL 50 CO 0.41 0.57 -0.05 -0.83 0.00 0.00 0.00 175.10 175.19 3juq s GLY 51 N -0.18 1.32 0.00 4.51 0.00 -0.66 -0.65 107.32 111.66 3juq s GLY 51 Ca -0.03 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.06 3juq s GLY 51 CO 0.03 -1.63 0.00 0.61 0.00 0.00 0.00 173.10 172.11 3juq n GLY 52 N -0.31 0.00 3.37 0.20 0.00 -1.07 0.21 105.19 107.59 3juq n GLY 52 Ca -0.08 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 3juq n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3juq s LEU 53 N 0.00 3.78 0.00 0.99 2.96 -0.36 -1.39 118.68 124.66 3juq s LEU 53 Ca 0.00 -0.61 0.24 0.00 -0.22 0.00 0.00 54.13 53.54 3juq s LEU 53 Cb 0.00 -1.89 0.32 0.00 0.50 0.00 0.00 46.19 45.12 3juq s LEU 53 CO 0.00 -0.16 1.29 0.79 -1.32 0.00 0.00 176.35 176.94 3juq n TRP 54 N 4.88 0.02 -3.99 5.38 8.01 0.67 -0.63 117.44 131.77 3juq n TRP 54 Ca -0.15 0.00 -0.31 0.00 -1.31 0.00 0.00 57.50 55.74 3juq n TRP 54 Cb 0.49 -0.20 -0.15 0.00 -2.01 0.00 0.00 31.31 29.43 3juq n TRP 54 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3juq s THR 55 N -3.01 2.19 0.28 -0.99 -4.23 -1.23 -4.53 115.64 104.11 3juq s THR 55 Ca 0.10 -2.35 0.04 0.00 -1.18 0.00 0.00 61.69 58.30 3juq s THR 55 Cb 0.17 -2.61 -0.06 0.00 1.34 0.00 0.00 72.50 71.34 3juq s THR 55 CO 0.74 -0.62 0.02 0.42 -0.54 0.00 0.00 174.62 174.64 3juq s THR 56 N 0.87 1.14 0.30 3.99 -4.23 -1.26 -4.69 115.64 111.75 3juq s THR 56 Ca 0.11 -2.03 0.19 0.00 -1.18 0.00 0.00 61.69 58.79 3juq s THR 56 Cb -0.19 -2.57 0.17 0.00 1.34 0.00 0.00 72.50 71.24 3juq s THR 56 CO -0.09 -0.16 1.86 -2.24 -0.54 0.00 0.00 174.62 173.45 3juq h ASP 57 N 2.29 0.00 1.72 3.99 3.04 -1.97 -2.72 116.42 122.77 3juq h ASP 57 Ca -0.40 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.39 3juq h ASP 57 Cb 1.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 3juq h ASP 57 CO 0.67 0.30 0.00 0.77 -2.04 0.00 0.00 179.24 178.93 3juq h SER 58 N 0.00 0.00 0.00 4.15 4.64 -2.01 -3.46 113.55 116.86 3juq h SER 58 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3juq h SER 58 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3juq h SER 58 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3juq n GLY 59 N 1.09 2.31 3.88 -0.77 0.00 -1.03 -5.04 105.19 105.63 3juq n GLY 59 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3juq n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3juq s GLN 60 N -0.44 3.52 0.63 1.61 -1.52 -1.26 -4.85 119.66 117.36 3juq s GLN 60 Ca 0.00 -0.05 -0.18 0.00 -1.95 0.00 0.00 55.36 53.18 3juq s GLN 60 Cb 0.00 -3.18 -0.02 0.00 -0.22 0.00 0.00 33.01 29.59 3juq s GLN 60 CO 0.00 0.75 1.26 -2.14 -0.25 0.00 0.00 175.29 174.91 3juq s PRO 61 N -1.15 2.68 -0.64 2.91 0.02 -1.26 -4.58 135.00 132.97 3juq s PRO 61 Ca 0.18 1.96 -0.19 0.00 0.02 0.00 0.00 61.00 62.98 3juq s PRO 61 Cb -0.13 -1.87 0.11 0.00 0.02 0.00 0.00 34.50 32.63 3juq s PRO 61 CO 0.07 -1.47 0.76 0.42 -0.33 0.00 0.00 177.00 176.45 3juq s ILE 62 N -1.50 4.83 -0.20 2.83 1.01 0.19 -4.98 121.20 123.37 3juq s ILE 62 Ca 0.80 -1.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 3juq s ILE 62 Cb -0.35 -4.53 -0.05 0.00 0.01 0.00 0.00 42.46 37.55 3juq s ILE 62 CO 0.38 -1.18 0.11 0.00 0.00 0.00 0.00 174.94 174.25 3juq s ALA 63 N 2.63 3.56 -0.39 9.38 0.00 -1.26 -1.22 121.76 134.46 3juq s ALA 63 Ca 0.14 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 3juq s ALA 63 Cb -0.21 -2.11 0.05 0.00 0.00 0.00 0.00 23.12 20.84 3juq s ALA 63 CO 0.04 0.07 0.22 0.42 0.00 0.00 0.00 175.76 176.52 3juq s ILE 64 N 0.55 4.43 -0.28 0.00 1.01 0.13 -4.98 121.20 122.05 3juq s ILE 64 Ca 0.06 -1.06 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 3juq s ILE 64 Cb -0.12 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 3juq s ILE 64 CO 0.00 -0.33 0.12 -0.13 0.00 0.00 0.00 174.94 174.60 3juq s ARG 65 N 1.50 3.48 0.00 2.79 0.52 -1.26 -1.66 118.95 124.33 3juq s ARG 65 Ca 0.02 -0.61 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 3juq s ARG 65 Cb -0.21 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 31.80 3juq s ARG 65 CO 0.05 -0.32 0.00 0.41 0.02 0.00 0.00 175.30 175.46 3juq n GLY 66 N 4.95 2.85 0.20 -3.53 0.00 0.73 -4.57 105.19 105.82 3juq n GLY 66 Ca -0.15 -1.69 -0.05 0.00 0.00 0.00 0.00 46.02 44.13 3juq n GLY 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3juq h ARG 67 N 0.00 0.49 -0.53 1.61 2.43 -1.22 0.12 114.38 117.29 3juq h ARG 67 Ca 0.00 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 3juq h ARG 67 Cb 0.00 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3juq h ARG 67 CO 0.00 0.32 -0.14 1.49 -1.51 0.00 0.00 179.97 180.14 3juq h GLU 68 N 0.50 1.01 -0.75 0.20 4.81 -1.91 -0.83 114.58 117.63 3juq h GLU 68 Ca 0.20 -0.39 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 3juq h GLU 68 Cb 0.08 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3juq h GLU 68 CO -0.13 1.07 0.32 0.87 -0.73 0.00 0.00 179.01 180.41 3juq h LYS 69 N 0.89 1.10 -0.89 1.92 1.79 -1.67 -1.57 116.57 118.15 3juq h LYS 69 Ca 0.13 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 3juq h LYS 69 Cb 0.71 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 31.13 3juq h LYS 69 CO 0.05 0.89 0.54 -0.07 -1.08 0.00 0.00 179.45 179.78 3juq h LEU 70 N 1.06 1.07 -0.64 2.94 3.38 -0.28 0.36 115.31 123.20 3juq h LEU 70 Ca 0.25 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 3juq h LEU 70 Cb 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3juq h LEU 70 CO -0.02 0.82 -0.29 1.23 0.09 0.00 0.00 178.44 180.27 3juq h GLY 71 N 1.24 0.81 1.07 0.83 0.00 -0.61 -1.14 103.07 105.27 3juq h GLY 71 Ca 0.32 -0.74 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 3juq h GLY 71 CO -0.06 0.67 0.00 0.83 0.00 0.00 0.00 176.54 177.98 3juq h GLU 72 N 0.64 1.05 -0.11 4.80 5.08 -0.80 -2.72 114.58 122.53 3juq h GLU 72 Ca 0.08 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 58.00 3juq h GLU 72 Cb 0.81 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3juq h GLU 72 CO 0.07 1.03 -0.38 1.25 -1.00 0.00 0.00 179.01 179.97 3juq h HIS 73 N 0.95 0.27 -0.11 4.33 2.76 -0.61 -2.72 115.15 120.01 3juq h HIS 73 Ca 0.17 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 3juq h HIS 73 Cb 0.55 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 3juq h HIS 73 CO 0.04 0.59 -0.01 0.00 -1.30 0.00 0.00 177.93 177.24 3juq h ALA 74 N 1.41 1.77 -0.26 5.26 0.00 -0.89 -1.72 119.26 124.84 3juq h ALA 74 Ca 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3juq h ALA 74 Cb 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3juq h ALA 74 CO 0.06 0.18 0.09 0.28 0.00 0.00 0.00 179.25 179.86 3juq h VAL 75 N 0.16 1.18 -0.14 0.00 2.07 -1.42 -0.69 116.25 117.41 3juq h VAL 75 Ca 0.04 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.03 3juq h VAL 75 Cb 0.14 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 3juq h VAL 75 CO 0.00 0.19 -0.33 -0.25 0.02 0.00 0.00 177.57 177.20 3juq h TRP 76 N 0.26 -0.91 0.00 1.57 7.01 -1.43 -2.85 115.95 119.60 3juq h TRP 76 Ca 0.08 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 61.08 3juq h TRP 76 Cb 0.21 0.42 -0.01 0.00 -2.10 0.00 0.00 29.16 27.69 3juq h TRP 76 CO -0.00 -0.41 -0.22 0.77 -2.79 0.00 0.00 178.44 175.79 3juq h SER 77 N -0.40 0.00 1.05 2.65 0.02 -1.25 -0.98 113.55 114.65 3juq h SER 77 Ca 0.10 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 3juq h SER 77 Cb 0.55 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3juq h SER 77 CO -0.36 0.22 -0.34 0.25 -1.14 0.00 0.00 176.83 175.46 3juq h LEU 78 N 0.00 0.00 -0.07 5.07 5.85 -0.89 0.59 115.31 125.86 3juq h LEU 78 Ca -0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 3juq h LEU 78 Cb 0.69 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.73 3juq h LEU 78 CO 0.03 0.34 -0.62 1.56 -0.34 0.00 0.00 178.44 179.41 3juq h GLN 79 N 0.00 0.55 0.00 1.25 1.08 -1.15 -3.21 115.11 113.62 3juq h GLN 79 Ca -0.00 -0.49 -0.18 0.00 -1.45 0.00 0.00 58.65 56.53 3juq h GLN 79 Cb 0.95 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.48 3juq h GLN 79 CO 0.04 1.12 -0.84 0.00 -0.95 0.00 0.00 178.83 178.21 3juq n PHE 81 N -3.61 0.49 0.25 0.00 3.01 0.19 -0.12 117.46 117.67 3juq n PHE 81 Ca -0.02 -3.65 0.14 0.00 1.01 0.00 0.00 57.45 54.94 3juq n PHE 81 Cb 0.79 -0.09 0.50 0.00 -0.01 0.00 0.00 39.48 40.67 3juq n PHE 81 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3juq h PRO 82 N 5.27 0.00 0.00 -1.08 0.13 -1.72 -3.25 132.00 131.35 3juq h PRO 82 Ca 0.21 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.30 3juq h PRO 82 Cb 0.85 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.90 3juq h PRO 82 CO 0.50 0.05 -0.48 -0.40 -0.23 0.00 0.00 178.00 177.44 3juq n ASP 83 N -3.14 1.16 -4.66 1.44 5.68 -1.26 -4.87 116.55 110.90 3juq n ASP 83 Ca 0.01 -2.64 -0.45 0.00 -0.50 0.00 0.00 54.79 51.21 3juq n ASP 83 Cb 0.39 -0.34 -0.03 0.00 -1.14 0.00 0.00 41.12 40.00 3juq n ASP 83 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 3juq n TRP 84 N -0.49 2.05 -4.10 2.11 -0.00 -1.23 -4.81 117.44 110.99 3juq n TRP 84 Ca 0.09 0.46 -0.15 0.00 -0.00 0.00 0.00 57.50 57.90 3juq n TRP 84 Cb 0.78 -2.44 -0.15 0.00 -0.00 0.00 0.00 31.31 29.50 3juq n TRP 84 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 3juq s VAL 85 N -0.04 0.33 -0.04 5.87 -7.23 -0.94 -4.68 120.40 113.68 3juq s VAL 85 Ca 0.69 -0.16 -0.17 0.00 -1.81 0.00 0.00 61.98 60.54 3juq s VAL 85 Cb -0.68 -0.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.91 3juq s VAL 85 CO 0.50 0.10 0.45 0.26 -0.31 0.00 0.00 175.10 176.10 3juq s TRP 86 N 0.03 3.66 0.26 2.82 0.52 -1.26 -1.61 118.94 123.35 3juq s TRP 86 Ca 0.00 0.99 0.02 0.00 0.02 0.00 0.00 56.10 57.13 3juq s TRP 86 Cb -0.03 -2.42 -0.04 0.00 -1.15 0.00 0.00 33.47 29.83 3juq s TRP 86 CO -0.00 0.45 0.16 0.95 0.02 0.00 0.00 176.95 178.53 3juq s THR 87 N -0.42 0.14 -1.53 2.01 -4.23 -0.36 -4.89 115.64 106.36 3juq s THR 87 Ca 0.25 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.62 3juq s THR 87 Cb -0.16 -2.52 0.10 0.00 1.34 0.00 0.00 72.50 71.26 3juq s THR 87 CO 0.13 0.00 0.82 -0.67 -0.54 0.00 0.00 174.62 174.36 3juq n ASP 88 N -0.71 -4.28 -4.70 3.99 4.64 -1.26 -0.91 116.55 113.31 3juq n ASP 88 Ca 0.03 -0.74 -0.42 0.00 -1.38 0.00 0.00 54.79 52.27 3juq n ASP 88 Cb 0.65 -3.45 -0.03 0.00 -1.04 0.00 0.00 41.12 37.25 3juq n ASP 88 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3juq s ILE 89 N -3.21 3.73 -0.16 5.18 1.01 -1.26 -4.46 121.20 122.03 3juq s ILE 89 Ca 0.63 1.19 0.00 0.00 0.00 0.00 0.00 60.65 62.47 3juq s ILE 89 Cb -0.32 -3.76 0.03 0.00 0.01 0.00 0.00 42.46 38.42 3juq s ILE 89 CO 0.77 0.05 -0.10 -1.10 0.00 0.00 0.00 174.94 174.56 3juq s GLN 90 N 1.64 1.89 -0.15 2.79 -0.21 0.09 -5.01 119.66 120.70 3juq s GLN 90 Ca 0.62 -0.57 -0.12 0.00 0.02 0.00 0.00 55.36 55.31 3juq s GLN 90 Cb -0.32 -2.07 -0.05 0.00 1.00 0.00 0.00 33.01 31.58 3juq s GLN 90 CO 0.28 -0.34 0.25 0.42 -2.12 0.00 0.00 175.29 173.78 3juq s ILE 91 N 1.54 5.33 -0.21 1.08 1.01 -1.26 -1.35 121.20 127.34 3juq s ILE 91 Ca 0.02 0.45 -0.02 0.00 0.00 0.00 0.00 60.65 61.11 3juq s ILE 91 Cb -0.14 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.77 3juq s ILE 91 CO -0.09 0.45 -0.10 -0.36 0.00 0.00 0.00 174.94 174.85 3juq s PHE 92 N 0.07 2.93 0.62 3.97 0.40 0.94 -5.02 117.98 121.89 3juq s PHE 92 Ca 0.15 -1.33 -0.13 0.00 -0.60 0.00 0.00 56.93 55.03 3juq s PHE 92 Cb -0.13 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 3juq s PHE 92 CO 0.04 -0.68 1.03 -1.21 0.70 0.00 0.00 175.22 175.10 3juq s GLU 93 N 1.38 3.45 0.42 0.44 2.02 -1.26 -1.59 118.70 123.56 3juq s GLU 93 Ca 0.04 0.90 0.04 0.00 0.02 0.00 0.00 54.97 55.97 3juq s GLU 93 Cb -0.14 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.01 3juq s GLU 93 CO -0.07 -0.69 0.14 0.25 0.02 0.00 0.00 175.26 174.91 3juq n THR 94 N -2.54 0.00 0.31 3.63 -2.24 -1.22 -4.86 114.28 107.35 3juq n THR 94 Ca 0.07 -2.39 0.20 0.00 -2.27 0.00 0.00 64.05 59.66 3juq n THR 94 Cb 0.54 0.83 0.96 0.00 -2.10 0.00 0.00 70.33 70.56 3juq n THR 94 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 3juq h GLN 95 N 0.00 0.00 -5.27 -0.78 -0.00 -1.98 -3.39 115.11 103.69 3juq h GLN 95 Ca -0.33 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 57.71 3juq h GLN 95 Cb 1.22 0.00 -0.13 0.00 -0.00 0.00 0.00 27.48 28.57 3juq h GLN 95 CO 0.52 0.01 -0.20 0.34 -0.00 0.00 0.00 178.83 179.50 3juq s ASP 96 N -5.48 6.33 0.42 0.06 -1.08 -1.26 -4.96 116.67 110.71 3juq s ASP 96 Ca -0.02 0.39 0.30 0.00 -0.52 0.00 0.00 52.55 52.69 3juq s ASP 96 Cb 0.11 -2.23 1.34 0.00 -1.46 0.00 0.00 42.92 40.69 3juq s ASP 96 CO 0.48 -0.16 1.89 1.55 0.52 0.00 0.00 175.17 179.45 3juq h PRO 97 N 7.88 0.00 -0.58 4.34 0.13 -1.90 -1.53 132.00 140.34 3juq h PRO 97 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3juq h PRO 97 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3juq h PRO 97 CO 0.68 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.54 3juq n ASN 98 N -2.65 4.67 -3.84 1.44 3.02 -1.26 -4.20 115.26 112.44 3juq n ASN 98 Ca 0.00 -2.52 -0.22 0.00 -0.03 0.00 0.00 54.58 51.81 3juq n ASN 98 Cb 0.21 -0.56 -0.17 0.00 -0.61 0.00 0.00 39.78 38.64 3juq n ASN 98 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3juq s TRP 99 N -1.98 0.80 0.10 3.10 -0.11 -0.58 -0.29 118.94 119.99 3juq s TRP 99 Ca 0.49 -0.25 0.06 0.00 1.22 0.00 0.00 56.10 57.62 3juq s TRP 99 Cb 0.33 -0.79 -0.03 0.00 -1.50 0.00 0.00 33.47 31.47 3juq s TRP 99 CO 0.22 -0.29 -0.15 -0.06 -4.62 0.00 0.00 176.95 172.05 3juq s PHE 100 N 1.48 1.37 0.08 5.86 0.40 -0.05 -3.40 117.98 123.72 3juq s PHE 100 Ca -0.02 -0.51 0.10 0.00 -0.60 0.00 0.00 56.93 55.89 3juq s PHE 100 Cb -0.13 -0.74 -0.03 0.00 0.51 0.00 0.00 43.02 42.63 3juq s PHE 100 CO -0.03 0.12 -0.26 -1.58 0.70 0.00 0.00 175.22 174.17 3juq s TRP 101 N -1.78 2.26 -0.05 0.36 0.52 -0.62 -0.74 118.94 118.90 3juq s TRP 101 Ca 0.05 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 55.81 3juq s TRP 101 Cb -0.07 -1.30 0.00 0.00 -1.15 0.00 0.00 33.47 30.95 3juq s TRP 101 CO 0.03 0.20 -0.15 0.08 0.02 0.00 0.00 176.95 177.13 3juq s VAL 102 N -0.90 1.25 -0.12 4.03 1.01 -0.31 -0.04 120.40 125.31 3juq s VAL 102 Ca 0.12 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3juq s VAL 102 Cb -0.10 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3juq s VAL 102 CO 0.03 0.37 -0.09 -0.70 0.00 0.00 0.00 175.10 174.71 3juq s GLU 103 N 0.23 3.31 0.32 2.72 2.12 -0.45 -0.52 118.70 126.43 3juq s GLU 103 Ca -0.07 -0.62 -0.18 0.00 0.36 0.00 0.00 54.97 54.47 3juq s GLU 103 Cb -0.12 -2.69 0.03 0.00 0.26 0.00 0.00 34.13 31.61 3juq s GLU 103 CO 0.02 0.32 0.71 0.00 -0.54 0.00 0.00 175.26 175.78 3juq s ARG 105 N -3.32 2.56 -0.04 0.00 1.81 -0.09 -0.98 118.95 118.89 3juq s ARG 105 Ca 0.14 -1.50 -0.25 0.00 -1.72 0.00 0.00 55.73 52.41 3juq s ARG 105 Cb -0.05 -2.37 0.05 0.00 -0.45 0.00 0.00 34.95 32.13 3juq s ARG 105 CO 0.09 -0.11 0.55 0.20 -0.68 0.00 0.00 175.30 175.35 3juq s GLY 106 N -4.08 -0.43 0.14 -3.53 0.00 -0.74 -1.23 107.32 97.46 3juq s GLY 106 Ca 0.46 0.98 -0.22 0.00 0.00 0.00 0.00 44.72 45.94 3juq s GLY 106 CO 0.27 0.68 0.57 -1.83 0.00 0.00 0.00 173.10 172.79 3juq s GLU 107 N -1.21 1.23 0.00 2.90 -1.05 -0.63 -1.52 118.70 118.41 3juq s GLU 107 Ca -0.12 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 3juq s GLU 107 Cb -0.02 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.23 3juq s GLU 107 CO 0.08 -0.52 0.00 0.41 0.95 0.00 0.00 175.26 176.18 3juq n GLY 108 N -0.27 1.09 3.77 -3.83 0.00 -0.32 -2.21 105.19 103.42 3juq n GLY 108 Ca -0.17 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 3juq n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juq s ALA 109 N -2.00 3.28 -0.16 4.61 0.00 -1.26 -0.26 121.76 125.97 3juq s ALA 109 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.40 3juq s ALA 109 Cb 0.00 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.54 3juq s ALA 109 CO 0.00 -1.12 -0.15 -1.50 0.00 0.00 0.00 175.76 173.00 3juq s ILE 110 N -1.20 2.71 -0.51 0.00 2.07 -0.44 -4.20 121.20 119.62 3juq s ILE 110 Ca 0.59 -0.75 0.06 0.00 -1.41 0.00 0.00 60.65 59.13 3juq s ILE 110 Cb -0.43 -2.15 0.20 0.00 0.13 0.00 0.00 42.46 40.22 3juq s ILE 110 CO 0.56 0.51 0.49 0.52 -1.91 0.00 0.00 174.94 175.11 3juq n VAL 111 N 4.08 0.13 -3.72 4.00 0.31 0.82 -1.34 118.33 122.62 3juq n VAL 111 Ca -0.19 -4.19 -0.35 0.00 -0.01 0.00 0.00 64.34 59.60 3juq n VAL 111 Cb 0.52 -1.92 -0.05 0.00 -0.91 0.00 0.00 33.84 31.47 3juq n VAL 111 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3juq s PHE 112 N -1.02 3.58 0.02 3.52 2.99 -1.26 -4.26 117.98 121.55 3juq s PHE 112 Ca 0.33 0.62 -0.35 0.00 0.00 0.00 0.00 56.93 57.53 3juq s PHE 112 Cb 0.07 -2.03 -0.14 0.00 0.00 0.00 0.00 43.02 40.93 3juq s PHE 112 CO -0.14 0.59 1.64 -2.30 -0.00 0.00 0.00 175.22 175.02 3juq n PRO 113 N 1.08 1.85 -0.71 0.24 -0.02 -1.26 -2.62 135.00 133.57 3juq n PRO 113 Ca -0.11 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3juq n PRO 113 Cb 0.53 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3juq n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3juq n GLY 114 N 3.63 0.71 3.15 -1.23 0.00 -1.26 -5.03 105.19 105.17 3juq n GLY 114 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 3juq n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3juq s TYR 115 N -2.46 1.21 0.28 1.61 1.51 -1.08 -5.12 117.35 113.31 3juq s TYR 115 Ca 0.00 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.39 3juq s TYR 115 Cb 0.00 -0.71 -0.13 0.00 -0.11 0.00 0.00 41.96 41.00 3juq s TYR 115 CO 0.00 0.04 1.24 -0.35 -1.11 0.00 0.00 175.55 175.37 3juq n PRO 116 N 1.78 1.83 -1.68 -1.71 -0.05 -1.26 -4.53 135.00 129.39 3juq n PRO 116 Ca -0.19 0.65 -0.44 0.00 -0.05 0.00 0.00 63.50 63.47 3juq n PRO 116 Cb 0.55 -2.19 -0.02 0.00 -0.05 0.00 0.00 33.50 31.79 3juq n PRO 116 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 175.50 173.32 3juq n ARG 117 N 1.13 2.08 -3.65 0.54 0.63 -1.26 -4.78 116.66 111.35 3juq n ARG 117 Ca 0.09 0.74 -0.15 0.00 -0.92 0.00 0.00 57.85 57.60 3juq n ARG 117 Cb 0.33 -2.37 -0.05 0.00 0.45 0.00 0.00 32.46 30.81 3juq n ARG 117 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3juq n GLY 118 N 1.76 3.30 3.18 5.14 0.00 -0.45 -4.99 105.19 113.13 3juq n GLY 118 Ca 0.09 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 3juq n GLY 118 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3juq s GLN 119 N -3.02 3.09 -0.16 1.61 2.00 -1.26 -1.33 119.66 120.59 3juq s GLN 119 Ca 0.25 -0.79 -0.04 0.00 -2.00 0.00 0.00 55.36 52.78 3juq s GLN 119 Cb 0.01 -2.63 -0.03 0.00 0.80 0.00 0.00 33.01 31.17 3juq s GLN 119 CO 0.17 -0.15 -0.04 -0.47 -0.50 0.00 0.00 175.29 174.31 3juq s TYR 120 N 1.18 3.02 0.01 1.67 5.04 0.64 -4.67 117.35 124.25 3juq s TYR 120 Ca 0.02 -0.33 0.02 0.00 -2.44 0.00 0.00 57.07 54.34 3juq s TYR 120 Cb -0.14 -1.97 -0.01 0.00 0.35 0.00 0.00 41.96 40.19 3juq s TYR 120 CO -0.08 -0.06 -0.08 -0.98 -1.34 0.00 0.00 175.55 173.01 3juq s ARG 121 N 0.44 0.58 0.30 4.97 1.70 -1.26 -1.17 118.95 124.50 3juq s ARG 121 Ca -0.04 -0.41 -0.12 0.00 -0.47 0.00 0.00 55.73 54.70 3juq s ARG 121 Cb -0.14 -0.51 0.01 0.00 -0.57 0.00 0.00 34.95 33.74 3juq s ARG 121 CO 0.03 0.13 0.57 1.21 -1.08 0.00 0.00 175.30 176.15 3juq s ASN 122 N -0.59 0.17 -0.15 -2.89 3.04 -0.58 -4.80 114.94 109.15 3juq s ASN 122 Ca -0.00 -1.08 -0.05 0.00 0.04 0.00 0.00 52.86 51.76 3juq s ASN 122 Cb -0.05 0.68 -0.04 0.00 -1.54 0.00 0.00 41.25 40.30 3juq s ASN 122 CO 0.00 -1.31 0.02 -2.28 -3.04 0.00 0.00 177.10 170.49 3juq s HIS 123 N -3.42 3.18 0.06 0.43 5.65 -1.26 -1.79 115.29 118.14 3juq s HIS 123 Ca 0.22 -0.01 0.05 0.00 0.25 0.00 0.00 55.06 55.57 3juq s HIS 123 Cb -0.02 -1.98 -0.03 0.00 -1.18 0.00 0.00 32.58 29.37 3juq s HIS 123 CO 0.12 0.17 -0.13 -0.06 -0.65 0.00 0.00 174.74 174.19 3juq s PHE 124 N 0.09 1.15 -0.07 3.88 0.40 -0.15 -4.21 117.98 119.07 3juq s PHE 124 Ca 0.03 -0.43 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 3juq s PHE 124 Cb -0.13 -0.66 -0.00 0.00 0.51 0.00 0.00 43.02 42.74 3juq s PHE 124 CO 0.01 0.04 -0.21 -0.51 0.70 0.00 0.00 175.22 175.25 3juq s LEU 125 N -1.55 1.99 -0.07 -0.37 1.43 -0.21 -1.41 118.68 118.49 3juq s LEU 125 Ca -0.02 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 3juq s LEU 125 Cb -0.09 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 3juq s LEU 125 CO 0.02 0.18 -0.24 -1.00 0.23 0.00 0.00 176.35 175.53 3juq s HIS 126 N 0.10 2.46 -0.18 0.29 3.76 0.32 -0.25 115.29 121.79 3juq s HIS 126 Ca -0.09 -0.84 -0.07 0.00 -0.15 0.00 0.00 55.06 53.91 3juq s HIS 126 Cb -0.14 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.88 3juq s HIS 126 CO 0.05 -0.29 0.07 0.45 -0.85 0.00 0.00 174.74 174.16 3juq s SER 127 N 0.04 5.67 -0.16 1.40 0.15 -0.04 -1.16 113.70 119.59 3juq s SER 127 Ca -0.10 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.66 3juq s SER 127 Cb -0.15 -1.96 0.03 0.00 -1.71 0.00 0.00 66.02 62.23 3juq s SER 127 CO 0.06 0.18 -0.11 -0.36 1.20 0.00 0.00 173.24 174.21 3juq s PHE 128 N 0.31 2.12 -0.12 3.44 0.08 0.09 -1.01 117.98 122.88 3juq s PHE 128 Ca 0.04 -1.28 -0.02 0.00 0.12 0.00 0.00 56.93 55.79 3juq s PHE 128 Cb -0.12 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.77 3juq s PHE 128 CO 0.00 -0.67 -0.06 1.03 -0.10 0.00 0.00 175.22 175.42 3juq s ARG 129 N 1.50 3.32 0.17 0.44 0.52 -0.16 -0.87 118.95 123.87 3juq s ARG 129 Ca 0.02 -0.54 0.06 0.00 -0.52 0.00 0.00 55.73 54.74 3juq s ARG 129 Cb -0.14 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.52 3juq s ARG 129 CO -0.09 0.39 0.09 -0.06 0.02 0.00 0.00 175.30 175.66 3juq s PHE 130 N -0.07 3.05 -0.15 -0.53 0.08 0.61 -0.16 117.98 120.82 3juq s PHE 130 Ca 0.01 -0.05 -0.05 0.00 0.12 0.00 0.00 56.93 56.96 3juq s PHE 130 Cb -0.13 -1.47 0.07 0.00 -0.57 0.00 0.00 43.02 40.92 3juq s PHE 130 CO 0.03 0.52 0.29 -2.00 -0.10 0.00 0.00 175.22 173.95 3juq s GLU 131 N -3.05 0.18 -1.35 0.44 2.12 -0.38 -4.77 118.70 111.88 3juq s GLU 131 Ca 0.30 0.76 -0.01 0.00 0.36 0.00 0.00 54.97 56.38 3juq s GLU 131 Cb -0.10 -0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.25 3juq s GLU 131 CO 0.22 -0.30 0.17 0.09 -0.54 0.00 0.00 175.26 174.90 3juq n ASN 132 N 5.36 -5.00 -0.01 -1.70 3.02 -1.26 -2.20 115.26 113.47 3juq n ASN 132 Ca -0.06 -0.09 -0.00 0.00 -0.03 0.00 0.00 54.58 54.40 3juq n ASN 132 Cb 0.50 -4.01 -0.00 0.00 -0.61 0.00 0.00 39.78 35.65 3juq n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3juq n GLY 133 N -1.14 0.47 3.45 7.41 0.00 -1.26 -5.01 105.19 109.12 3juq n GLY 133 Ca -0.16 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 3juq n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3juq s LEU 134 N -0.02 2.43 -0.15 0.99 1.43 -0.93 -4.92 118.68 117.51 3juq s LEU 134 Ca 0.00 -1.26 -0.29 0.00 -1.03 0.00 0.00 54.13 51.55 3juq s LEU 134 Cb 0.00 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.63 3juq s LEU 134 CO 0.00 -0.43 1.06 -0.63 0.23 0.00 0.00 176.35 176.58 3juq s ILE 135 N -3.07 4.65 -0.12 -0.59 1.01 0.44 -1.25 121.20 122.28 3juq s ILE 135 Ca 0.32 1.95 0.15 0.00 0.00 0.00 0.00 60.65 63.07 3juq s ILE 135 Cb 0.06 -4.26 -0.24 0.00 0.01 0.00 0.00 42.46 38.03 3juq s ILE 135 CO 0.13 -0.08 0.39 1.17 0.00 0.00 0.00 174.94 176.56 3juq n LYS 136 N 5.65 0.66 -3.67 2.79 3.00 0.78 -0.69 118.16 126.68 3juq n LYS 136 Ca 0.11 0.15 -0.08 0.00 -0.00 0.00 0.00 58.31 58.48 3juq n LYS 136 Cb 0.47 -1.67 -0.09 0.00 0.00 0.00 0.00 35.03 33.74 3juq n LYS 136 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3juq s GLU 137 N -2.57 0.38 -0.10 1.64 2.12 -0.82 -1.13 118.70 118.23 3juq s GLU 137 Ca -0.07 1.02 0.03 0.00 0.36 0.00 0.00 54.97 56.31 3juq s GLU 137 Cb 0.07 0.28 -0.01 0.00 0.26 0.00 0.00 34.13 34.73 3juq s GLU 137 CO 0.83 -0.22 -0.18 -1.14 -0.54 0.00 0.00 175.26 174.01 3juq s GLN 138 N 2.30 3.00 -0.05 4.30 -0.44 0.18 -0.98 119.66 127.97 3juq s GLN 138 Ca -0.04 -0.77 0.01 0.00 -2.50 0.00 0.00 55.36 52.06 3juq s GLN 138 Cb -0.11 -2.43 0.02 0.00 -1.64 0.00 0.00 33.01 28.86 3juq s GLN 138 CO -0.14 0.32 -0.03 1.03 0.50 0.00 0.00 175.29 176.97 3juq s ARG 139 N 0.05 0.69 -0.16 1.67 0.52 -0.18 -2.58 118.95 118.96 3juq s ARG 139 Ca -0.07 -0.04 -0.11 0.00 -0.52 0.00 0.00 55.73 55.00 3juq s ARG 139 Cb -0.15 -0.79 -0.05 0.00 0.52 0.00 0.00 34.95 34.49 3juq s ARG 139 CO 0.05 -0.13 0.19 -2.00 0.02 0.00 0.00 175.30 173.43 3juq s GLU 140 N 1.09 4.04 -0.13 3.54 2.12 -0.49 -0.86 118.70 128.01 3juq s GLU 140 Ca -0.08 -0.09 0.02 0.00 0.36 0.00 0.00 54.97 55.18 3juq s GLU 140 Cb -0.14 -3.36 0.01 0.00 0.26 0.00 0.00 34.13 30.90 3juq s GLU 140 CO -0.01 0.40 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.85 3juq s PHE 141 N 0.02 2.48 0.32 5.30 0.40 0.65 -0.24 117.98 126.92 3juq s PHE 141 Ca 0.12 -1.23 0.02 0.00 -0.60 0.00 0.00 56.93 55.24 3juq s PHE 141 Cb -0.12 -1.71 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 3juq s PHE 141 CO 0.02 -0.58 0.38 0.00 0.70 0.00 0.00 175.22 175.74 3juq n MET 142 N 4.10 0.54 -3.18 0.44 0.00 -1.26 -1.04 117.12 116.72 3juq n MET 142 Ca -0.20 -2.82 -0.44 0.00 0.00 0.00 0.00 57.70 54.24 3juq n MET 142 Cb 0.51 2.53 -0.06 0.00 0.00 0.00 0.00 33.22 36.21 3juq n MET 142 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3juq s ASN 143 N -3.09 6.20 0.63 3.17 3.84 -1.26 -4.82 114.94 119.61 3juq s ASN 143 Ca 0.31 -1.21 0.33 0.00 0.21 0.00 0.00 52.86 52.51 3juq s ASN 143 Cb 0.00 -2.28 1.86 0.00 -0.55 0.00 0.00 41.25 40.29 3juq s ASN 143 CO 0.22 -0.94 2.14 -0.65 -2.79 0.00 0.00 177.10 175.08 3juq h PRO 144 N 9.03 0.00 -0.53 0.43 0.11 -1.95 -2.32 132.00 136.76 3juq h PRO 144 Ca -0.28 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.87 3juq h PRO 144 Cb 1.09 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3juq h PRO 144 CO 1.01 0.00 0.35 0.00 -0.21 0.00 0.00 178.00 179.15 3juq h GLU 146 N 0.54 0.14 -0.17 0.00 4.39 -1.76 -1.86 114.58 115.86 3juq h GLU 146 Ca 0.22 -0.06 -0.22 0.00 0.34 0.00 0.00 59.36 59.65 3juq h GLU 146 Cb 0.20 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3juq h GLU 146 CO -0.06 0.49 -0.74 0.37 -1.16 0.00 0.00 179.01 177.91 3juq h GLN 147 N 0.12 0.80 -0.43 2.33 4.15 -1.44 -2.56 115.11 118.08 3juq h GLN 147 Ca 0.01 -0.64 0.09 0.00 0.77 0.00 0.00 58.65 58.88 3juq h GLN 147 Cb 0.70 0.13 -0.08 0.00 0.21 0.00 0.00 27.48 28.44 3juq h GLN 147 CO 0.05 1.25 -0.11 0.74 -1.93 0.00 0.00 178.83 178.83 3juq h PHE 148 N 0.54 -0.24 -0.96 3.99 0.04 -0.94 -2.13 116.94 117.25 3juq h PHE 148 Ca -0.04 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.78 3juq h PHE 148 Cb 1.37 0.17 -0.05 0.00 2.20 0.00 0.00 35.95 39.64 3juq h PHE 148 CO 0.09 -0.19 0.64 0.00 -0.60 0.00 0.00 178.31 178.24 3juq h ARG 149 N -0.00 1.25 0.00 1.51 3.08 -1.25 -0.39 114.38 118.58 3juq h ARG 149 Ca 0.21 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3juq h ARG 149 Cb 0.32 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3juq h ARG 149 CO -0.45 0.83 -0.24 0.66 -1.07 0.00 0.00 179.97 179.70 3juq h SER 150 N 1.29 0.00 -0.14 7.04 4.64 -0.97 -2.24 113.55 123.16 3juq h SER 150 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3juq h SER 150 Cb -0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3juq h SER 150 CO -0.08 0.24 0.00 0.18 -0.87 0.00 0.00 176.83 176.30 3juq n LEU 151 N -4.21 2.00 0.00 5.97 4.77 -0.81 -4.21 117.00 120.51 3juq n LEU 151 Ca -0.02 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 3juq n LEU 151 Cb 0.30 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3juq n LEU 151 CO 0.37 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 3juq n GLY 152 N 1.22 0.49 3.72 -0.72 0.00 -0.84 -4.50 105.19 104.56 3juq n GLY 152 Ca 0.17 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 3juq n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3juq s ILE 153 N -2.00 4.99 0.28 -0.61 1.01 -0.22 -5.00 121.20 119.65 3juq s ILE 153 Ca 0.00 1.56 -0.30 0.00 0.00 0.00 0.00 60.65 61.91 3juq s ILE 153 Cb 0.00 -4.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.28 3juq s ILE 153 CO 0.00 0.25 1.42 -0.70 0.00 0.00 0.00 174.94 175.91 3juq s GLU 154 N 0.74 4.26 -0.18 2.79 2.56 -1.26 -4.06 118.70 123.55 3juq s GLU 154 Ca 0.40 2.32 -0.03 0.00 0.00 0.00 0.00 54.97 57.66 3juq s GLU 154 Cb -0.18 -3.08 -0.02 0.00 2.00 0.00 0.00 34.13 32.85 3juq s GLU 154 CO 0.20 -0.39 -0.06 0.08 -0.56 0.00 0.00 175.26 174.53 3juq s VAL 155 N -0.34 3.44 0.75 3.70 1.01 -1.26 -5.02 120.40 122.68 3juq s VAL 155 Ca 0.57 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 3juq s VAL 155 Cb -0.42 -2.52 0.05 0.00 0.00 0.00 0.00 36.38 33.48 3juq s VAL 155 CO 0.47 0.46 1.10 -2.16 0.00 0.00 0.00 175.10 174.98 3juq s PRO 156 N 0.92 2.31 -0.25 2.72 0.04 -1.26 -5.01 135.00 134.47 3juq s PRO 156 Ca -0.01 1.27 -0.03 0.00 0.04 0.00 0.00 61.00 62.27 3juq s PRO 156 Cb -0.15 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.51 3juq s PRO 156 CO 0.01 -1.61 -0.03 -1.21 0.04 0.00 0.00 177.00 174.19 3juq s GLU 157 N -4.65 3.03 -0.12 4.56 2.02 -1.26 -5.08 118.70 117.20 3juq s GLU 157 Ca 0.63 -0.86 -0.29 0.00 0.02 0.00 0.00 54.97 54.47 3juq s GLU 157 Cb -0.19 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 30.97 3juq s GLU 157 CO 0.52 -0.35 1.01 0.08 0.02 0.00 0.00 175.26 176.54 3juq s VAL 158 N 1.40 4.77 -0.12 2.63 1.01 -1.26 -5.00 120.40 123.83 3juq s VAL 158 Ca 0.02 2.04 -0.27 0.00 0.00 0.00 0.00 61.98 63.78 3juq s VAL 158 Cb -0.16 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 3juq s VAL 158 CO -0.03 -0.02 0.88 -0.13 0.00 0.00 0.00 175.10 175.80 3juq s ARG 159 N 2.17 4.38 -0.94 2.72 0.52 -1.26 -5.01 118.95 121.53 3juq s ARG 159 Ca 0.48 1.15 -0.04 0.00 -0.52 0.00 0.00 55.73 56.80 3juq s ARG 159 Cb -0.18 -3.54 0.23 0.00 0.52 0.00 0.00 34.95 31.99 3juq s ARG 159 CO 0.16 -0.25 0.86 1.03 0.02 0.00 0.00 175.30 177.12 3juq s ARG 160 N 1.85 3.52 0.32 3.54 0.52 -1.26 -5.07 118.95 122.37 3juq s ARG 160 Ca 0.43 -3.19 -0.27 0.00 -0.52 0.00 0.00 55.73 52.18 3juq s ARG 160 Cb -0.18 -4.14 -0.09 0.00 0.52 0.00 0.00 34.95 31.06 3juq s ARG 160 CO 0.16 -1.25 1.00 -0.51 0.02 0.00 0.00 175.30 174.72 3juq s ASP 161 N 0.41 7.21 0.00 0.23 1.01 -1.26 -2.69 116.67 121.59 3juq s ASP 161 Ca 0.27 1.99 0.00 0.00 0.71 0.00 0.00 52.55 55.52 3juq s ASP 161 Cb -0.09 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.25 3juq s ASP 161 CO -0.11 -0.17 0.00 0.61 0.21 0.00 0.00 175.17 175.72 3juq n GLY 162 N 0.75 3.11 3.67 0.21 0.00 -1.26 -5.00 105.19 106.67 3juq n GLY 162 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 3juq n GLY 162 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3juq n LEU 163 N 0.00 3.90 -0.03 0.99 7.94 -1.09 -5.36 117.00 123.35 3juq n LEU 163 Ca 0.00 0.95 0.16 0.00 -1.11 0.00 0.00 56.01 56.01 3juq n LEU 163 Cb 0.00 -1.48 0.93 0.00 0.53 0.00 0.00 43.42 43.39 3juq n LEU 163 CO 0.00 0.11 1.10 -0.81 -1.11 0.00 0.00 177.39 176.67