#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v1j s ARG 2 N 0.00 3.47 0.36 0.54 0.52 -1.26 -5.12 118.95 117.46 1v1j s ARG 2 Ca 0.00 -0.50 0.07 0.00 -0.52 0.00 0.00 55.73 54.78 1v1j s ARG 2 Cb 0.00 -2.93 -0.02 0.00 0.52 0.00 0.00 34.95 32.52 1v1j s ARG 2 CO 0.00 0.49 0.39 -1.54 0.02 0.00 0.00 175.30 174.66 1v1j s SER 3 N -3.13 5.46 0.64 0.23 1.04 -1.26 -4.74 113.70 111.93 1v1j s SER 3 Ca 0.36 -0.46 0.28 0.00 0.48 0.00 0.00 55.95 56.61 1v1j s SER 3 Cb -0.11 -0.92 1.51 0.00 0.10 0.00 0.00 66.02 66.59 1v1j s SER 3 CO 0.29 -0.48 1.87 -0.07 0.98 0.00 0.00 173.24 175.83 1v1j h LEU 4 N 1.04 0.00 0.00 2.42 4.07 -1.87 -1.14 115.31 119.84 1v1j h LEU 4 Ca -0.44 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.44 1v1j h LEU 4 Cb 1.26 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 1v1j h LEU 4 CO 0.55 0.00 -1.06 0.00 -1.08 0.00 0.00 178.44 176.85 1v1j h ALA 5 N 1.32 0.62 0.00 1.53 0.00 -1.93 -3.35 119.26 117.45 1v1j h ALA 5 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1v1j h ALA 5 Cb 0.90 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1v1j h ALA 5 CO -0.00 0.48 -1.15 0.09 0.00 0.00 0.00 179.25 178.66 1v1j n ASN 6 N -2.86 0.58 -3.59 0.00 3.02 -0.45 -4.97 115.26 106.98 1v1j n ASN 6 Ca -0.04 -0.14 -0.14 0.00 -0.03 0.00 0.00 54.58 54.23 1v1j n ASN 6 Cb 0.70 0.92 -0.06 0.00 -0.61 0.00 0.00 39.78 40.72 1v1j n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1v1j s ALA 7 N -3.25 -1.84 0.77 5.41 0.00 -1.06 -4.94 121.76 116.85 1v1j s ALA 7 Ca 0.02 1.72 -0.11 0.00 0.00 0.00 0.00 51.96 53.58 1v1j s ALA 7 Cb 0.14 -0.80 0.05 0.00 0.00 0.00 0.00 23.12 22.51 1v1j s ALA 7 CO 0.82 -0.32 1.08 -1.25 0.00 0.00 0.00 175.76 176.08 1v1j s PRO 8 N -0.35 2.33 -0.08 0.00 0.04 -1.26 -4.31 135.00 131.36 1v1j s PRO 8 Ca -0.03 0.90 -0.24 0.00 0.04 0.00 0.00 61.00 61.67 1v1j s PRO 8 Cb -0.03 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1v1j s PRO 8 CO 0.02 -1.51 0.72 0.42 0.04 0.00 0.00 177.00 176.69 1v1j s ILE 9 N -3.03 5.02 -0.13 0.56 1.01 0.07 -1.41 121.20 123.30 1v1j s ILE 9 Ca 0.60 1.46 -0.20 0.00 0.00 0.00 0.00 60.65 62.51 1v1j s ILE 9 Cb -0.15 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1v1j s ILE 9 CO 0.55 0.22 0.58 -0.32 0.00 0.00 0.00 174.94 175.97 1v1j s MET 10 N 1.02 4.33 -0.28 2.79 -2.45 -0.90 -0.81 119.30 123.00 1v1j s MET 10 Ca 0.37 0.61 -0.01 0.00 -1.25 0.00 0.00 55.69 55.42 1v1j s MET 10 Cb -0.18 -3.48 0.05 0.00 1.25 0.00 0.00 34.83 32.47 1v1j s MET 10 CO 0.17 0.02 -0.04 0.42 1.05 0.00 0.00 175.02 176.65 1v1j s ILE 11 N 1.03 2.81 -0.12 10.11 -1.09 0.10 -1.06 121.20 132.98 1v1j s ILE 11 Ca 0.30 -1.33 -0.04 0.00 -2.23 0.00 0.00 60.65 57.34 1v1j s ILE 11 Cb -0.16 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.11 1v1j s ILE 11 CO 0.13 -0.01 0.04 -0.76 -1.23 0.00 0.00 174.94 173.10 1v1j s LEU 12 N 1.25 3.76 -0.07 2.97 1.43 0.50 -0.89 118.68 127.62 1v1j s LEU 12 Ca -0.04 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1v1j s LEU 12 Cb -0.19 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1v1j s LEU 12 CO -0.03 0.32 -0.19 0.20 0.23 0.00 0.00 176.35 176.88 1v1j s ASN 13 N -0.52 2.48 0.40 2.29 0.01 0.44 -0.97 114.94 119.07 1v1j s ASN 13 Ca 0.10 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 1v1j s ASN 13 Cb -0.12 -0.96 0.00 0.00 0.41 0.00 0.00 41.25 40.58 1v1j s ASN 13 CO 0.02 0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.36 1v1j n GLY 14 N 3.43 0.22 3.66 0.66 0.00 0.60 -1.29 105.19 112.47 1v1j n GLY 14 Ca -0.20 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 1v1j n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v1j n PRO 15 N -0.68 0.47 -0.18 1.61 -0.04 -1.05 -3.05 135.00 132.07 1v1j n PRO 15 Ca 0.00 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1v1j n PRO 15 Cb 0.00 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 1v1j n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1v1j n ASN 16 N -2.35 0.00 0.18 3.54 3.02 -1.26 -4.62 115.26 113.77 1v1j n ASN 16 Ca 0.14 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.82 1v1j n ASN 16 Cb 0.50 -1.37 0.48 0.00 -0.61 0.00 0.00 39.78 38.78 1v1j n ASN 16 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1v1j h LEU 17 N 0.00 0.00 -2.47 3.41 3.38 -1.91 -1.42 115.31 116.29 1v1j h LEU 17 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1v1j h LEU 17 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1v1j h LEU 17 CO 0.00 0.00 0.15 -0.55 0.09 0.00 0.00 178.44 178.13 1v1j h ASN 18 N 0.00 0.00 -0.68 -0.43 -1.07 -1.87 -1.18 115.58 110.36 1v1j h ASN 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1v1j h ASN 18 Cb 0.58 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.83 1v1j h ASN 18 CO 0.00 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.68 1v1j n LEU 19 N -3.29 4.08 -4.65 6.14 4.77 -0.54 -4.82 117.00 118.70 1v1j n LEU 19 Ca -0.01 -2.05 -0.46 0.00 -0.03 0.00 0.00 56.01 53.45 1v1j n LEU 19 Cb 0.23 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1v1j n LEU 19 CO 0.21 0.88 0.97 -0.11 -1.33 0.00 0.00 177.39 178.01 1v1j n LEU 20 N 1.38 2.68 0.00 2.23 7.94 -0.45 -1.90 117.00 128.88 1v1j n LEU 20 Ca 0.24 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.27 1v1j n LEU 20 Cb 0.70 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.28 1v1j n LEU 20 CO 0.19 -0.67 0.00 0.61 -1.11 0.00 0.00 177.39 176.41 1v1j n GLY 21 N 2.33 0.65 0.00 -3.96 0.00 -1.11 -4.01 105.19 99.09 1v1j n GLY 21 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1v1j n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1v1j n GLN 22 N -2.68 -0.24 -3.55 1.61 6.02 -0.80 -4.77 117.38 112.97 1v1j n GLN 22 Ca 0.00 -0.46 -0.15 0.00 -0.01 0.00 0.00 57.00 56.37 1v1j n GLN 22 Cb 0.00 -0.83 -0.06 0.00 1.02 0.00 0.00 30.24 30.37 1v1j n GLN 22 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1v1j s ARG 23 N -0.11 0.90 -1.32 -1.09 3.03 -1.26 -4.98 118.95 114.13 1v1j s ARG 23 Ca 0.00 0.33 -0.10 0.00 2.03 0.00 0.00 55.73 58.00 1v1j s ARG 23 Cb 0.00 0.43 0.00 0.00 -1.03 0.00 0.00 34.95 34.35 1v1j s ARG 23 CO 0.00 -0.26 0.52 1.04 -1.13 0.00 0.00 175.30 175.47 1v1j n GLN 24 N 1.13 -2.18 -0.34 3.89 6.02 -1.26 -4.68 117.38 119.95 1v1j n GLN 24 Ca -0.16 0.36 -0.03 0.00 -0.01 0.00 0.00 57.00 57.15 1v1j n GLN 24 Cb 0.57 -4.11 0.09 0.00 1.02 0.00 0.00 30.24 27.81 1v1j n GLN 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1v1j h PRO 25 N -1.94 1.27 -0.14 -1.09 0.13 -1.94 0.19 132.00 128.48 1v1j h PRO 25 Ca -0.65 -0.13 0.04 0.00 -0.87 0.00 0.00 66.00 64.39 1v1j h PRO 25 Cb 1.38 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1v1j h PRO 25 CO 0.58 0.90 0.25 0.93 -0.23 0.00 0.00 178.00 180.43 1v1j h GLU 26 N 1.28 0.00 0.00 0.86 3.07 -1.89 1.73 114.58 119.64 1v1j h GLU 26 Ca 0.33 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.76 1v1j h GLU 26 Cb -0.03 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.82 1v1j h GLU 26 CO -0.06 0.00 -2.37 -0.89 -1.40 0.00 0.00 179.01 174.29 1v1j n ILE 27 N -3.40 1.53 0.56 3.13 5.41 -0.33 -4.71 119.36 121.54 1v1j n ILE 27 Ca 0.01 -0.36 0.08 0.00 1.00 0.00 0.00 62.75 63.48 1v1j n ILE 27 Cb 0.35 -1.87 -0.11 0.00 -0.71 0.00 0.00 39.64 37.30 1v1j n ILE 27 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1v1j n TYR 28 N -4.19 0.00 -0.69 1.39 4.02 0.53 -4.47 117.16 113.75 1v1j n TYR 28 Ca -0.51 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.38 1v1j n TYR 28 Cb 0.87 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 40.07 1v1j n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1v1j n GLY 29 N 1.43 -2.84 0.44 2.72 0.00 0.59 -4.72 105.19 102.81 1v1j n GLY 29 Ca 0.01 -1.83 0.04 0.00 0.00 0.00 0.00 46.02 44.25 1v1j n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v1j n SER 30 N -0.10 2.43 -4.79 1.61 3.41 -1.26 -4.02 113.62 110.89 1v1j n SER 30 Ca 0.00 -1.82 -0.36 0.00 -0.26 0.00 0.00 58.87 56.43 1v1j n SER 30 Cb 0.00 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 1v1j n SER 30 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1v1j s ASP 31 N -0.92 7.15 0.71 4.04 1.01 -1.26 -4.68 116.67 122.72 1v1j s ASP 31 Ca 0.15 1.84 -0.01 0.00 0.71 0.00 0.00 52.55 55.24 1v1j s ASP 31 Cb 0.09 -2.57 0.12 0.00 1.01 0.00 0.00 42.92 41.56 1v1j s ASP 31 CO 0.12 -0.20 0.98 0.42 0.21 0.00 0.00 175.17 176.69 1v1j s THR 32 N -1.75 2.20 0.25 -1.27 -4.23 -1.26 -2.75 115.64 106.83 1v1j s THR 32 Ca 0.54 -0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 60.45 1v1j s THR 32 Cb -0.17 -2.63 0.13 0.00 1.34 0.00 0.00 72.50 71.16 1v1j s THR 32 CO 0.22 0.00 1.77 0.25 -0.54 0.00 0.00 174.62 176.32 1v1j h LEU 33 N -0.50 0.87 -1.50 4.79 5.85 -1.83 -1.89 115.31 121.10 1v1j h LEU 33 Ca -0.38 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 1v1j h LEU 33 Cb 1.27 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1v1j h LEU 33 CO 0.42 0.87 0.17 0.00 -0.34 0.00 0.00 178.44 179.56 1v1j h ALA 34 N 1.24 1.61 -0.70 1.25 0.00 -1.93 0.12 119.26 120.84 1v1j h ALA 34 Ca 0.18 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1v1j h ALA 34 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1v1j h ALA 34 CO 0.01 0.31 0.24 -0.44 0.00 0.00 0.00 179.25 179.37 1v1j h ASP 35 N 0.51 0.99 -0.17 0.00 3.32 -1.73 -1.98 116.42 117.36 1v1j h ASP 35 Ca 0.13 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 1v1j h ASP 35 Cb 0.07 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1v1j h ASP 35 CO -0.02 0.91 -0.24 0.58 -1.72 0.00 0.00 179.24 178.76 1v1j h VAL 36 N 1.03 1.35 -0.61 -1.35 2.07 -0.76 -1.61 116.25 116.36 1v1j h VAL 36 Ca 0.23 -1.45 0.09 0.00 0.82 0.00 0.00 66.70 66.40 1v1j h VAL 36 Cb 0.26 1.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 1v1j h VAL 36 CO -0.01 0.43 0.24 -0.08 0.02 0.00 0.00 177.57 178.17 1v1j h GLU 37 N 0.09 0.41 -0.50 1.57 4.81 -0.85 0.74 114.58 120.85 1v1j h GLU 37 Ca 0.02 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1v1j h GLU 37 Cb 0.80 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1v1j h GLU 37 CO 0.05 0.27 0.10 0.00 -0.73 0.00 0.00 179.01 178.70 1v1j h ALA 38 N 1.41 1.24 -0.62 2.92 0.00 -1.15 0.27 119.26 123.34 1v1j h ALA 38 Ca 0.31 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1v1j h ALA 38 Cb 0.37 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1v1j h ALA 38 CO -0.30 0.52 0.09 -0.07 0.00 0.00 0.00 179.25 179.49 1v1j h LEU 39 N 0.73 0.97 -0.71 0.00 3.38 -0.02 -2.49 115.31 117.17 1v1j h LEU 39 Ca 0.16 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1v1j h LEU 39 Cb 0.31 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1v1j h LEU 39 CO 0.00 0.98 -0.35 0.00 0.09 0.00 0.00 178.44 179.16 1v1j h VAL 41 N 0.50 1.17 -0.23 0.00 2.07 -0.62 -1.92 116.25 117.22 1v1j h VAL 41 Ca 0.05 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1v1j h VAL 41 Cb 0.84 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1v1j h VAL 41 CO 0.07 0.18 0.03 0.50 0.02 0.00 0.00 177.57 178.37 1v1j h LYS 42 N 0.41 0.38 -0.95 1.57 3.64 -1.39 -1.03 116.57 119.21 1v1j h LYS 42 Ca 0.12 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1v1j h LYS 42 Cb 0.14 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 1v1j h LYS 42 CO -0.01 0.54 0.59 0.00 -2.27 0.00 0.00 179.45 178.30 1v1j h ALA 43 N 0.83 1.21 -0.27 5.00 0.00 -1.22 -2.62 119.26 122.19 1v1j h ALA 43 Ca 0.07 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1v1j h ALA 43 Cb 0.35 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1v1j h ALA 43 CO 0.01 0.65 -0.50 0.00 0.00 0.00 0.00 179.25 179.40 1v1j h ALA 44 N 1.33 0.60 -0.57 0.00 0.00 -1.12 -3.16 119.26 116.34 1v1j h ALA 44 Ca 0.34 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1v1j h ALA 44 Cb -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1v1j h ALA 44 CO -0.07 0.68 0.21 0.00 0.00 0.00 0.00 179.25 180.07 1v1j h ALA 45 N 0.84 1.30 0.00 0.00 0.00 -0.93 0.11 119.26 120.57 1v1j h ALA 45 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1v1j h ALA 45 Cb 1.07 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1v1j h ALA 45 CO 0.11 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1v1j h ALA 46 N 1.41 1.00 -0.16 0.00 0.00 -1.44 0.12 119.26 120.20 1v1j h ALA 46 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1v1j h ALA 46 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1v1j h ALA 46 CO -0.02 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.95 1v1j n HIS 47 N -2.55 0.20 -0.52 0.00 8.25 0.23 -4.97 115.22 115.85 1v1j n HIS 47 Ca -0.02 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1v1j n HIS 47 Cb 0.06 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1v1j n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1v1j n GLY 48 N 0.86 0.69 2.61 -1.41 0.00 0.43 -4.95 105.19 103.41 1v1j n GLY 48 Ca 0.11 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 1v1j n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v1j n GLY 49 N -2.52 3.71 3.36 -0.02 0.00 -0.34 -4.52 105.19 104.85 1v1j n GLY 49 Ca 0.00 -2.29 -0.18 0.00 0.00 0.00 0.00 46.02 43.54 1v1j n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v1j s THR 50 N -2.37 0.61 0.13 2.61 -4.23 -1.26 -3.27 115.64 107.86 1v1j s THR 50 Ca 0.02 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.57 1v1j s THR 50 Cb 0.00 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1v1j s THR 50 CO 0.01 0.00 -0.11 0.68 -0.54 0.00 0.00 174.62 174.67 1v1j s VAL 51 N -3.61 1.15 -0.24 2.29 -7.23 -1.26 -0.75 120.40 110.75 1v1j s VAL 51 Ca 0.36 -1.94 -0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1v1j s VAL 51 Cb 0.07 -1.72 0.07 0.00 0.56 0.00 0.00 36.38 35.36 1v1j s VAL 51 CO 0.15 -0.67 0.01 -0.62 -0.31 0.00 0.00 175.10 173.65 1v1j s ASP 52 N -2.95 3.58 -0.23 4.85 -1.08 0.01 -4.86 116.67 115.99 1v1j s ASP 52 Ca 0.14 -1.17 -0.05 0.00 -0.52 0.00 0.00 52.55 50.94 1v1j s ASP 52 Cb 0.01 -0.93 -0.02 0.00 -1.46 0.00 0.00 42.92 40.51 1v1j s ASP 52 CO 0.01 -0.30 0.01 0.12 0.52 0.00 0.00 175.17 175.53 1v1j s PHE 53 N 1.58 3.02 0.05 -5.34 5.36 -1.26 0.02 117.98 121.41 1v1j s PHE 53 Ca -0.01 -0.64 0.02 0.00 -0.96 0.00 0.00 56.93 55.34 1v1j s PHE 53 Cb -0.18 -2.15 -0.03 0.00 -0.34 0.00 0.00 43.02 40.32 1v1j s PHE 53 CO -0.10 -0.41 -0.07 1.03 -1.46 0.00 0.00 175.22 174.21 1v1j s ARG 54 N 1.43 0.58 -0.01 10.12 0.52 -0.07 -4.97 118.95 126.55 1v1j s ARG 54 Ca 0.05 -0.90 0.01 0.00 -0.52 0.00 0.00 55.73 54.36 1v1j s ARG 54 Cb -0.15 -0.21 0.01 0.00 0.52 0.00 0.00 34.95 35.13 1v1j s ARG 54 CO 0.00 0.02 -0.01 -1.14 0.02 0.00 0.00 175.30 174.19 1v1j s GLN 55 N -2.22 0.23 0.03 3.54 -0.44 -1.26 -0.42 119.66 119.12 1v1j s GLN 55 Ca -0.05 -0.01 -0.08 0.00 -2.50 0.00 0.00 55.36 52.73 1v1j s GLN 55 Cb -0.05 -0.32 0.00 0.00 -1.64 0.00 0.00 33.01 30.99 1v1j s GLN 55 CO -0.01 -0.04 0.17 0.45 0.50 0.00 0.00 175.29 176.35 1v1j s SER 56 N 0.46 0.05 0.00 6.67 0.15 -0.41 -4.96 113.70 115.67 1v1j s SER 56 Ca -0.04 -0.35 0.24 0.00 0.70 0.00 0.00 55.95 56.50 1v1j s SER 56 Cb -0.07 0.26 0.33 0.00 -1.71 0.00 0.00 66.02 64.83 1v1j s SER 56 CO -0.01 -0.50 1.31 0.59 1.20 0.00 0.00 173.24 175.83 1v1j n ASN 57 N 0.88 2.10 -4.48 5.45 3.02 -1.26 -2.54 115.26 118.43 1v1j n ASN 57 Ca -0.20 -1.56 -0.35 0.00 -0.03 0.00 0.00 54.58 52.44 1v1j n ASN 57 Cb 0.58 0.20 -0.12 0.00 -0.61 0.00 0.00 39.78 39.83 1v1j n ASN 57 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1v1j s HIS 58 N -2.26 3.08 0.15 3.10 3.76 -1.26 -4.72 115.29 117.13 1v1j s HIS 58 Ca 0.25 -0.35 -0.17 0.00 -0.15 0.00 0.00 55.06 54.64 1v1j s HIS 58 Cb 0.19 -2.10 0.04 0.00 1.11 0.00 0.00 32.58 31.83 1v1j s HIS 58 CO 0.44 -0.18 1.76 1.49 -0.85 0.00 0.00 174.74 177.40 1v1j h GLU 59 N 7.44 0.28 -0.05 1.40 4.81 -2.00 -2.30 114.58 124.16 1v1j h GLU 59 Ca -0.36 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.79 1v1j h GLU 59 Cb 1.18 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1v1j h GLU 59 CO 0.62 0.18 -0.26 0.78 -0.73 0.00 0.00 179.01 179.60 1v1j h GLY 60 N 0.28 0.09 1.42 1.92 0.00 -1.99 -1.61 103.07 103.17 1v1j h GLY 60 Ca 0.15 -0.06 -0.18 0.00 0.00 0.00 0.00 47.33 47.25 1v1j h GLY 60 CO -0.15 0.06 -0.61 -2.09 0.00 0.00 0.00 176.54 173.75 1v1j h GLU 61 N 0.07 0.60 -0.84 4.80 4.81 -1.92 -1.63 114.58 120.48 1v1j h GLU 61 Ca 0.01 -0.41 -0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1v1j h GLU 61 Cb 0.51 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 1v1j h GLU 61 CO 0.04 1.03 0.37 -0.07 -0.73 0.00 0.00 179.01 179.65 1v1j h LEU 62 N 0.45 1.12 -0.41 1.64 3.38 -0.81 -0.64 115.31 120.04 1v1j h LEU 62 Ca -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1v1j h LEU 62 Cb 1.18 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1v1j h LEU 62 CO 0.12 0.96 0.18 0.58 0.09 0.00 0.00 178.44 180.37 1v1j h VAL 63 N 1.20 1.18 -0.72 1.22 2.07 -1.04 -1.05 116.25 119.13 1v1j h VAL 63 Ca 0.28 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.30 1v1j h VAL 63 Cb 0.16 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1v1j h VAL 63 CO -0.03 0.20 0.44 0.44 0.02 0.00 0.00 177.57 178.64 1v1j h ASP 64 N 0.52 0.71 0.17 0.57 3.32 -0.89 -1.43 116.42 119.38 1v1j h ASP 64 Ca 0.14 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 1v1j h ASP 64 Cb 0.15 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1v1j h ASP 64 CO -0.02 0.48 -0.31 -0.50 -1.72 0.00 0.00 179.24 177.17 1v1j h TRP 65 N 0.84 0.26 -0.61 4.55 6.55 -0.69 -1.74 115.95 125.12 1v1j h TRP 65 Ca 0.30 -0.05 -0.08 0.00 0.95 0.00 0.00 58.89 60.01 1v1j h TRP 65 Cb 0.07 -0.06 -0.02 0.00 -0.86 0.00 0.00 29.16 28.28 1v1j h TRP 65 CO -0.05 0.52 0.08 0.82 -1.05 0.00 0.00 178.44 178.77 1v1j h ILE 66 N 0.20 1.26 -0.28 1.49 2.04 -0.18 -1.04 117.51 120.99 1v1j h ILE 66 Ca 0.03 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 1v1j h ILE 66 Cb 0.66 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1v1j h ILE 66 CO 0.05 0.37 -0.05 0.45 0.00 0.00 0.00 178.15 178.97 1v1j h HIS 67 N 0.94 0.47 -0.40 1.37 3.86 -0.82 -1.25 115.15 119.32 1v1j h HIS 67 Ca 0.19 -0.05 -0.16 0.00 -1.16 0.00 0.00 60.37 59.19 1v1j h HIS 67 Cb 0.43 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1v1j h HIS 67 CO 0.03 0.50 -0.37 1.49 0.86 0.00 0.00 177.93 180.45 1v1j h GLU 68 N 0.43 0.95 -0.16 2.45 4.81 -0.81 -2.85 114.58 119.39 1v1j h GLU 68 Ca 0.09 -0.49 -0.03 0.00 -0.13 0.00 0.00 59.36 58.80 1v1j h GLU 68 Cb 0.36 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1v1j h GLU 68 CO 0.02 1.15 -0.06 0.00 -0.73 0.00 0.00 179.01 179.39 1v1j h ALA 69 N 0.79 1.62 -0.02 2.92 0.00 -0.06 -0.99 119.26 123.52 1v1j h ALA 69 Ca 0.07 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1v1j h ALA 69 Cb 0.96 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1v1j h ALA 69 CO 0.09 0.28 0.02 0.00 0.00 0.00 0.00 179.25 179.64 1v1j h ARG 70 N 0.22 0.00 0.00 0.00 3.08 -1.11 -1.73 114.38 114.84 1v1j h ARG 70 Ca 0.05 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.77 1v1j h ARG 70 Cb 0.25 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 1v1j h ARG 70 CO 0.01 0.00 -2.31 1.28 -1.07 0.00 0.00 179.97 177.89 1v1j n LEU 71 N -3.97 0.00 0.00 3.04 4.77 -0.46 -4.77 117.00 115.61 1v1j n LEU 71 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1v1j n LEU 71 Cb 0.11 0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1v1j n LEU 71 CO 0.29 0.44 0.26 0.59 -1.33 0.00 0.00 177.39 177.64 1v1j n ASN 72 N -2.68 1.03 -4.42 -1.43 3.02 -0.70 -5.07 115.26 105.00 1v1j n ASN 72 Ca -0.30 -1.05 -0.21 0.00 -0.03 0.00 0.00 54.58 53.00 1v1j n ASN 72 Cb 1.09 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 40.15 1v1j n ASN 72 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1v1j s HIS 73 N -0.05 1.89 -1.25 3.10 3.76 -0.67 -4.37 115.29 117.69 1v1j s HIS 73 Ca 0.00 -0.95 0.20 0.00 -0.15 0.00 0.00 55.06 54.16 1v1j s HIS 73 Cb 0.00 -1.19 -0.14 0.00 1.11 0.00 0.00 32.58 32.36 1v1j s HIS 73 CO 0.00 0.00 0.89 0.00 -0.85 0.00 0.00 174.74 174.78 1v1j n GLY 75 N 1.41 -0.02 2.90 0.00 0.00 -1.26 -4.39 105.19 103.82 1v1j n GLY 75 Ca 0.05 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.96 1v1j n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1v1j s ILE 76 N -2.00 0.49 -0.22 -0.61 1.01 -0.07 -2.11 121.20 117.69 1v1j s ILE 76 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 1v1j s ILE 76 Cb 0.00 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.95 1v1j s ILE 76 CO 0.00 0.20 -0.01 -0.69 0.00 0.00 0.00 174.94 174.44 1v1j s VAL 77 N 0.75 3.76 -0.05 2.92 1.01 -0.23 -1.30 120.40 127.26 1v1j s VAL 77 Ca -0.10 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1v1j s VAL 77 Cb -0.13 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.55 1v1j s VAL 77 CO 0.00 0.41 -0.09 -0.51 0.00 0.00 0.00 175.10 174.91 1v1j s ILE 78 N 1.29 0.86 -0.53 2.22 2.07 -0.14 -0.37 121.20 126.60 1v1j s ILE 78 Ca 0.04 -0.33 -0.02 0.00 -1.41 0.00 0.00 60.65 58.93 1v1j s ILE 78 Cb -0.15 -0.82 0.14 0.00 0.13 0.00 0.00 42.46 41.77 1v1j s ILE 78 CO 0.00 0.29 0.34 0.21 -1.91 0.00 0.00 174.94 173.87 1v1j s ASN 79 N 0.71 5.20 0.00 4.50 3.84 -0.14 -0.99 114.94 128.06 1v1j s ASN 79 Ca -0.13 -2.54 0.26 0.00 0.21 0.00 0.00 52.86 50.66 1v1j s ASN 79 Cb -0.15 -1.83 1.36 0.00 -0.55 0.00 0.00 41.25 40.08 1v1j s ASN 79 CO 0.02 -0.43 1.88 -2.65 -2.79 0.00 0.00 177.10 173.13 1v1j n PRO 80 N 3.90 0.48 0.00 0.43 -0.02 -1.26 -0.29 135.00 138.24 1v1j n PRO 80 Ca 0.04 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1v1j n PRO 80 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1v1j n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1v1j n ALA 81 N -1.21 0.00 -0.18 3.55 0.00 -1.26 -2.26 120.51 119.15 1v1j n ALA 81 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.67 1v1j n ALA 81 Cb 0.17 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.01 1v1j n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v1j h ALA 82 N -0.50 1.79 0.00 0.00 0.00 -1.93 0.13 119.26 118.75 1v1j h ALA 82 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1v1j h ALA 82 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1v1j h ALA 82 CO 0.00 0.07 0.00 1.88 0.00 0.00 0.00 179.25 181.20 1v1j h TYR 83 N 0.68 0.00 -0.98 0.00 0.99 -1.86 -1.54 116.97 114.26 1v1j h TYR 83 Ca 0.33 0.00 0.24 0.00 2.00 0.00 0.00 58.73 61.30 1v1j h TYR 83 Cb 0.40 0.00 -0.13 0.00 1.00 0.00 0.00 36.73 38.00 1v1j h TYR 83 CO -0.00 0.00 0.54 0.77 -0.00 0.00 0.00 178.16 179.47 1v1j h SER 84 N 0.00 0.58 0.40 3.88 0.02 -0.76 0.18 113.55 117.85 1v1j h SER 84 Ca 0.00 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1v1j h SER 84 Cb 0.18 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1v1j h SER 84 CO 0.00 0.06 -0.76 1.41 -1.14 0.00 0.00 176.83 176.40 1v1j n HIS 85 N -4.94 0.11 0.00 3.45 8.25 -0.58 -1.34 115.22 120.17 1v1j n HIS 85 Ca 0.26 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 1v1j n HIS 85 Cb 0.74 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1v1j n HIS 85 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1v1j n THR 86 N -1.67 0.00 -3.12 1.59 -2.24 -0.99 -4.82 114.28 103.04 1v1j n THR 86 Ca 0.04 -0.13 -0.45 0.00 -2.27 0.00 0.00 64.05 61.24 1v1j n THR 86 Cb 0.37 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.16 1v1j n THR 86 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1v1j s SER 87 N -0.89 6.42 0.49 3.42 0.15 0.59 -4.79 113.70 119.09 1v1j s SER 87 Ca 0.00 -1.86 0.26 0.00 0.70 0.00 0.00 55.95 55.05 1v1j s SER 87 Cb 0.00 -2.30 1.27 0.00 -1.71 0.00 0.00 66.02 63.27 1v1j s SER 87 CO 0.00 -0.98 1.99 0.58 1.20 0.00 0.00 173.24 176.03 1v1j h VAL 88 N 5.64 0.57 -0.59 4.45 2.07 -1.95 -3.09 116.25 123.34 1v1j h VAL 88 Ca -0.10 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 1v1j h VAL 88 Cb 1.06 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1v1j h VAL 88 CO 1.02 0.16 0.14 0.00 0.02 0.00 0.00 177.57 178.91 1v1j h ALA 89 N 1.84 0.78 -0.22 1.67 0.00 -1.96 -1.40 119.26 119.96 1v1j h ALA 89 Ca -0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1v1j h ALA 89 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1v1j h ALA 89 CO 0.02 0.50 -0.39 0.82 0.00 0.00 0.00 179.25 180.20 1v1j h ILE 90 N 0.86 1.30 -0.05 0.00 2.04 -1.90 -1.53 117.51 118.22 1v1j h ILE 90 Ca 0.19 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.51 1v1j h ILE 90 Cb 0.36 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1v1j h ILE 90 CO 0.00 0.48 0.01 0.25 0.00 0.00 0.00 178.15 178.89 1v1j h LEU 91 N 0.43 0.00 -1.25 1.44 5.85 -1.44 -1.02 115.31 119.32 1v1j h LEU 91 Ca 0.04 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1v1j h LEU 91 Cb 0.87 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1v1j h LEU 91 CO 0.07 0.01 -0.10 0.44 -0.34 0.00 0.00 178.44 178.53 1v1j h ASP 92 N 0.03 0.37 -0.30 1.25 3.32 -1.13 -0.96 116.42 119.00 1v1j h ASP 92 Ca 0.02 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1v1j h ASP 92 Cb 0.02 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1v1j h ASP 92 CO -0.03 0.51 -0.03 0.00 -1.72 0.00 0.00 179.24 177.97 1v1j h ALA 93 N 1.53 0.41 0.00 3.45 0.00 -0.88 -2.64 119.26 121.13 1v1j h ALA 93 Ca 0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1v1j h ALA 93 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1v1j h ALA 93 CO 0.02 0.18 -0.18 -0.07 0.00 0.00 0.00 179.25 179.21 1v1j h LEU 94 N 0.33 0.00 -1.20 0.00 3.38 -0.76 -1.39 115.31 115.68 1v1j h LEU 94 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1v1j h LEU 94 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1v1j h LEU 94 CO 0.02 0.18 0.00 0.78 0.09 0.00 0.00 178.44 179.51 1v1j h ASN 95 N 0.00 0.00 1.11 -0.43 -0.26 -0.82 -1.31 115.58 113.87 1v1j h ASN 95 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1v1j h ASN 95 Cb 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1v1j h ASN 95 CO 0.02 0.00 -0.28 0.35 -1.06 0.00 0.00 177.43 176.46 1v1j n THR 96 N -2.79 0.39 -1.53 2.81 -2.24 -0.52 -4.30 114.28 106.10 1v1j n THR 96 Ca 0.01 -0.23 -0.40 0.00 -2.27 0.00 0.00 64.05 61.16 1v1j n THR 96 Cb 0.28 -0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.16 1v1j n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1v1j n ASP 98 N 4.33 3.93 0.00 0.00 8.00 -1.26 -1.47 116.55 130.09 1v1j n ASP 98 Ca 0.67 0.87 0.00 0.00 0.71 0.00 0.00 54.79 57.05 1v1j n ASP 98 Cb 0.29 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 39.90 1v1j n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1v1j n GLY 99 N 4.61 1.95 3.72 0.44 0.00 -1.26 -4.96 105.19 109.69 1v1j n GLY 99 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1v1j n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1v1j s LEU 100 N 0.00 4.39 0.06 0.99 2.96 -0.54 -4.97 118.68 121.57 1v1j s LEU 100 Ca 0.00 1.57 -0.31 0.00 -0.22 0.00 0.00 54.13 55.18 1v1j s LEU 100 Cb 0.00 -3.45 -0.06 0.00 0.50 0.00 0.00 46.19 43.19 1v1j s LEU 100 CO 0.00 -0.17 1.21 -2.84 -1.32 0.00 0.00 176.35 173.23 1v1j s PRO 101 N 0.69 4.42 -0.09 0.98 0.02 -1.26 -4.92 135.00 134.85 1v1j s PRO 101 Ca 0.47 1.79 0.03 0.00 0.02 0.00 0.00 61.00 63.31 1v1j s PRO 101 Cb -0.21 -3.35 0.01 0.00 0.02 0.00 0.00 34.50 30.98 1v1j s PRO 101 CO 0.26 -0.27 -0.17 0.08 -0.33 0.00 0.00 177.00 176.57 1v1j s VAL 102 N 1.09 1.53 -0.08 3.83 1.01 -1.26 -0.89 120.40 125.62 1v1j s VAL 102 Ca 0.59 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1v1j s VAL 102 Cb -0.30 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1v1j s VAL 102 CO 0.29 0.44 -0.19 -0.69 0.00 0.00 0.00 175.10 174.95 1v1j s VAL 103 N 0.63 1.65 -0.14 2.92 1.01 -0.42 -0.46 120.40 125.59 1v1j s VAL 103 Ca -0.14 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 60.89 1v1j s VAL 103 Cb -0.16 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1v1j s VAL 103 CO 0.04 0.47 0.37 -0.70 0.00 0.00 0.00 175.10 175.28 1v1j s GLU 104 N 0.44 4.27 -0.02 2.72 2.12 -0.28 -0.96 118.70 126.97 1v1j s GLU 104 Ca -0.16 0.25 0.06 0.00 0.36 0.00 0.00 54.97 55.49 1v1j s GLU 104 Cb -0.17 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 1v1j s GLU 104 CO 0.06 0.23 -0.21 0.08 -0.54 0.00 0.00 175.26 174.88 1v1j s VAL 105 N 0.45 1.67 -0.04 3.70 1.01 -0.16 -0.53 120.40 126.49 1v1j s VAL 105 Ca 0.21 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1v1j s VAL 105 Cb -0.14 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1v1j s VAL 105 CO 0.07 0.47 -0.10 -1.00 0.00 0.00 0.00 175.10 174.54 1v1j s HIS 106 N -0.38 1.17 -0.00 5.22 3.76 0.05 -4.08 115.29 121.03 1v1j s HIS 106 Ca 0.05 -0.35 -0.23 0.00 -0.15 0.00 0.00 55.06 54.38 1v1j s HIS 106 Cb -0.09 -0.85 -0.19 0.00 1.11 0.00 0.00 32.58 32.56 1v1j s HIS 106 CO 0.00 -0.17 1.23 0.82 -0.85 0.00 0.00 174.74 175.77 1v1j h ILE 107 N 5.63 1.42 -3.58 0.60 2.04 -1.86 -1.53 117.51 120.22 1v1j h ILE 107 Ca -0.33 -1.45 -0.48 0.00 1.00 0.00 0.00 64.86 63.60 1v1j h ILE 107 Cb 1.17 2.22 0.05 0.00 -0.74 0.00 0.00 36.82 39.52 1v1j h ILE 107 CO 0.48 0.40 0.14 -0.94 0.00 0.00 0.00 178.15 178.24 1v1j s SER 108 N -6.06 5.81 -0.77 1.72 1.04 -1.26 -2.37 113.70 111.80 1v1j s SER 108 Ca -0.15 0.76 -0.19 0.00 0.48 0.00 0.00 55.95 56.85 1v1j s SER 108 Cb 0.03 -1.86 0.12 0.00 0.10 0.00 0.00 66.02 64.41 1v1j s SER 108 CO 0.73 -0.90 0.95 0.21 0.98 0.00 0.00 173.24 175.20 1v1j s ASN 109 N -4.24 6.43 0.66 7.02 3.84 -1.26 -2.22 114.94 125.16 1v1j s ASN 109 Ca 0.52 -1.73 0.38 0.00 0.21 0.00 0.00 52.86 52.24 1v1j s ASN 109 Cb -0.10 -2.36 2.09 0.00 -0.55 0.00 0.00 41.25 40.33 1v1j s ASN 109 CO 0.45 -1.11 2.21 0.16 -2.79 0.00 0.00 177.10 176.02 1v1j h ILE 110 N 5.77 0.07 0.00 -5.21 3.07 -1.92 -1.71 117.51 117.59 1v1j h ILE 110 Ca -0.06 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.35 1v1j h ILE 110 Cb 1.05 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.48 1v1j h ILE 110 CO 1.08 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.59 1v1j n HIS 111 N -3.13 0.00 0.32 0.16 8.25 -1.26 -1.98 115.22 117.58 1v1j n HIS 111 Ca -0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.53 1v1j n HIS 111 Cb 0.19 -0.44 0.15 0.00 1.12 0.00 0.00 29.99 31.02 1v1j n HIS 111 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1v1j n GLN 112 N -1.44 2.11 -0.02 -0.41 6.02 -0.64 -4.98 117.38 118.01 1v1j n GLN 112 Ca 0.09 -1.96 0.00 0.00 -0.01 0.00 0.00 57.00 55.11 1v1j n GLN 112 Cb 0.30 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1v1j n GLN 112 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1v1j n ARG 113 N 1.12 3.36 -1.68 -1.09 1.74 -0.84 -5.06 116.66 114.21 1v1j n ARG 113 Ca 0.15 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.83 1v1j n ARG 113 Cb 0.50 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.98 1v1j n ARG 113 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1v1j n GLU 114 N -0.01 1.48 -0.20 5.56 4.71 -1.26 -4.86 120.64 126.06 1v1j n GLU 114 Ca 0.00 0.54 0.17 0.00 -0.01 0.00 0.00 57.16 57.86 1v1j n GLU 114 Cb 0.00 -2.35 0.51 0.00 -1.01 0.00 0.00 31.44 28.58 1v1j n GLU 114 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1v1j h PRO 115 N 1.33 0.40 0.00 3.49 0.11 -1.97 0.17 132.00 135.54 1v1j h PRO 115 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1v1j h PRO 115 Cb 1.32 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1v1j h PRO 115 CO 0.56 0.27 0.00 0.27 -0.21 0.00 0.00 178.00 178.89 1v1j h PHE 116 N 0.42 0.00 -0.01 0.65 -5.15 -1.97 -1.45 116.94 109.43 1v1j h PHE 116 Ca 0.41 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.18 1v1j h PHE 116 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.15 1v1j h PHE 116 CO -0.00 0.00 -0.18 0.54 -2.00 0.00 0.00 178.31 176.67 1v1j n ARG 117 N -2.36 0.73 0.21 6.09 1.74 0.61 -4.14 116.66 119.54 1v1j n ARG 117 Ca 0.02 -0.34 0.07 0.00 -0.77 0.00 0.00 57.85 56.83 1v1j n ARG 117 Cb 0.24 -1.49 0.47 0.00 -1.02 0.00 0.00 32.46 30.65 1v1j n ARG 117 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1v1j h HIS 118 N 0.83 0.00 -3.06 -1.55 3.86 -1.29 -3.44 115.15 110.51 1v1j h HIS 118 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 1v1j h HIS 118 Cb 0.43 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.78 1v1j h HIS 118 CO 0.00 0.29 -0.56 -1.58 0.86 0.00 0.00 177.93 176.94 1v1j s HIS 119 N -3.94 3.35 -0.08 2.45 5.65 -1.26 -4.94 115.29 116.52 1v1j s HIS 119 Ca -0.01 0.30 0.00 0.00 0.25 0.00 0.00 55.06 55.60 1v1j s HIS 119 Cb 0.12 -1.90 0.02 0.00 -1.18 0.00 0.00 32.58 29.64 1v1j s HIS 119 CO 0.66 0.51 -0.06 0.45 -0.65 0.00 0.00 174.74 175.65 1v1j s SER 120 N -0.69 1.63 0.33 9.88 0.15 -1.26 -4.27 113.70 119.47 1v1j s SER 120 Ca 0.12 -0.21 0.08 0.00 0.70 0.00 0.00 55.95 56.64 1v1j s SER 120 Cb -0.12 -0.65 0.60 0.00 -1.71 0.00 0.00 66.02 64.14 1v1j s SER 120 CO 0.02 -0.08 1.79 1.88 1.20 0.00 0.00 173.24 178.05 1v1j h TYR 121 N 7.66 0.24 -0.03 3.44 -1.99 -1.53 -2.83 116.97 121.92 1v1j h TYR 121 Ca -0.30 -0.05 -0.07 0.00 2.00 0.00 0.00 58.73 60.30 1v1j h TYR 121 Cb 1.15 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.81 1v1j h TYR 121 CO 0.48 0.51 -0.33 0.28 -0.00 0.00 0.00 178.16 179.10 1v1j h VAL 122 N 0.19 1.25 0.00 -2.88 2.07 -1.88 -3.07 116.25 111.92 1v1j h VAL 122 Ca 0.03 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1v1j h VAL 122 Cb 0.65 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1v1j h VAL 122 CO 0.05 0.34 -0.04 0.28 0.02 0.00 0.00 177.57 178.22 1v1j h SER 123 N 0.05 0.00 0.40 0.57 0.02 -1.86 -1.01 113.55 111.72 1v1j h SER 123 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1v1j h SER 123 Cb 0.61 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1v1j h SER 123 CO 0.04 0.04 -0.26 1.56 -1.14 0.00 0.00 176.83 177.08 1v1j h GLN 124 N 0.00 0.00 0.00 3.45 4.20 -1.70 -3.29 115.11 117.78 1v1j h GLN 124 Ca -0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 1v1j h GLN 124 Cb 0.14 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 1v1j h GLN 124 CO 0.01 0.26 -2.17 -2.13 -0.67 0.00 0.00 178.83 174.12 1v1j n ARG 125 N -3.91 1.09 -1.76 1.46 3.00 -0.71 -5.02 116.66 110.80 1v1j n ARG 125 Ca -0.02 0.02 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 1v1j n ARG 125 Cb 0.34 -1.43 -0.00 0.00 0.00 0.00 0.00 32.46 31.36 1v1j n ARG 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1v1j n ALA 126 N -2.74 2.28 -0.12 5.13 0.00 -0.47 -4.89 120.51 119.70 1v1j n ALA 126 Ca -0.30 0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 1v1j n ALA 126 Cb 1.02 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.04 1v1j n ALA 126 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1v1j h ASP 127 N 3.08 0.67 -4.51 0.00 3.32 -1.11 -3.45 116.42 114.41 1v1j h ASP 127 Ca -0.50 -0.34 -0.28 0.00 0.02 0.00 0.00 57.03 55.92 1v1j h ASP 127 Cb 1.25 -0.18 -0.18 0.00 0.22 0.00 0.00 39.33 40.44 1v1j h ASP 127 CO 0.65 0.85 -0.72 -0.83 -1.72 0.00 0.00 179.24 177.47 1v1j s GLY 128 N -3.37 0.76 -0.06 2.75 0.00 -1.20 -5.06 107.32 101.16 1v1j s GLY 128 Ca -0.13 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.43 1v1j s GLY 128 CO 0.79 -1.24 -0.04 0.14 0.00 0.00 0.00 173.10 172.76 1v1j s VAL 129 N -2.60 0.55 -0.14 1.40 1.01 -1.26 -1.13 120.40 118.24 1v1j s VAL 129 Ca 0.05 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1v1j s VAL 129 Cb -0.02 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1v1j s VAL 129 CO -0.01 0.25 -0.19 -0.69 0.00 0.00 0.00 175.10 174.45 1v1j s VAL 130 N 1.21 1.86 -0.02 2.92 1.01 0.31 -4.97 120.40 122.72 1v1j s VAL 130 Ca -0.06 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1v1j s VAL 130 Cb -0.14 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1v1j s VAL 130 CO -0.02 0.51 -0.08 0.00 0.00 0.00 0.00 175.10 175.51 1v1j s ALA 131 N 0.97 0.76 -0.05 5.51 0.00 -1.26 -0.77 121.76 126.93 1v1j s ALA 131 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1v1j s ALA 131 Cb -0.15 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1v1j s ALA 131 CO -0.04 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1v1j n GLY 132 N 3.15 0.47 1.67 0.00 0.00 -0.58 -4.75 105.19 105.15 1v1j n GLY 132 Ca -0.16 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 1v1j n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v1j n GLY 134 N -0.05 0.40 0.19 0.00 0.00 -1.00 -2.74 105.19 102.00 1v1j n GLY 134 Ca 0.30 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.58 1v1j n GLY 134 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1v1j h VAL 135 N 0.00 0.00 0.00 1.61 -1.51 -1.88 -1.38 116.25 113.09 1v1j h VAL 135 Ca 0.00 -0.16 -0.02 0.00 -1.23 0.00 0.00 66.70 65.29 1v1j h VAL 135 Cb 0.00 0.87 -0.00 0.00 -2.13 0.00 0.00 31.29 30.03 1v1j h VAL 135 CO 0.00 0.00 -0.11 -0.61 -1.23 0.00 0.00 177.57 175.62 1v1j h GLN 136 N 0.00 0.00 -0.70 5.19 4.15 -1.94 -1.46 115.11 120.34 1v1j h GLN 136 Ca 0.00 0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.58 1v1j h GLN 136 Cb 0.21 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 1v1j h GLN 136 CO 0.00 0.11 0.48 0.78 -1.93 0.00 0.00 178.83 178.27 1v1j h GLY 137 N 0.40 0.42 1.22 2.39 0.00 -1.05 0.47 103.07 106.93 1v1j h GLY 137 Ca -0.00 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.25 1v1j h GLY 137 CO 0.01 0.03 0.48 -0.97 0.00 0.00 0.00 176.54 176.09 1v1j h TYR 138 N 0.24 0.88 -0.30 5.60 -1.99 -1.46 -0.76 116.97 119.18 1v1j h TYR 138 Ca 0.34 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.99 1v1j h TYR 138 Cb 1.00 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 39.43 1v1j h TYR 138 CO -0.00 0.53 -0.20 0.28 -0.00 0.00 0.00 178.16 178.76 1v1j h VAL 139 N 0.92 1.30 -0.72 -2.88 2.07 -1.06 -1.24 116.25 114.64 1v1j h VAL 139 Ca 0.28 -1.34 0.06 0.00 0.82 0.00 0.00 66.70 66.52 1v1j h VAL 139 Cb -0.01 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 1v1j h VAL 139 CO -0.07 0.43 0.42 -0.26 0.02 0.00 0.00 177.57 178.10 1v1j h PHE 140 N 0.42 0.77 -0.26 1.57 0.05 -1.19 0.11 116.94 118.41 1v1j h PHE 140 Ca 0.06 0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.89 1v1j h PHE 140 Cb 0.75 -0.24 -0.02 0.00 2.00 0.00 0.00 35.95 38.43 1v1j h PHE 140 CO 0.07 0.38 0.12 0.78 -0.18 0.00 0.00 178.31 179.48 1v1j h GLY 141 N 0.77 0.34 1.00 -1.45 0.00 -0.76 -0.57 103.07 102.41 1v1j h GLY 141 Ca 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1v1j h GLY 141 CO -0.17 0.07 0.40 -2.08 0.00 0.00 0.00 176.54 174.76 1v1j h VAL 142 N 0.26 1.21 -0.81 4.60 2.07 -0.69 -1.30 116.25 121.59 1v1j h VAL 142 Ca 0.11 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1v1j h VAL 142 Cb 0.04 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 1v1j h VAL 142 CO -0.08 0.22 0.33 -0.08 0.02 0.00 0.00 177.57 177.98 1v1j h GLU 143 N 0.95 1.20 -0.35 1.57 4.57 -0.78 0.66 114.58 122.39 1v1j h GLU 143 Ca 0.25 -0.21 -0.12 0.00 -1.18 0.00 0.00 59.36 58.10 1v1j h GLU 143 Cb 0.00 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 1v1j h GLU 143 CO -0.04 0.96 -0.27 -0.09 -1.18 0.00 0.00 179.01 178.38 1v1j h ARG 144 N 1.17 0.72 -0.56 1.92 9.65 -0.68 -2.17 114.38 124.43 1v1j h ARG 144 Ca 0.27 -0.31 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 1v1j h ARG 144 Cb 0.20 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 1v1j h ARG 144 CO -0.02 0.91 0.25 0.82 2.80 0.00 0.00 179.97 184.73 1v1j h ILE 145 N 0.62 1.21 -0.85 1.20 1.08 -0.65 -1.44 117.51 118.68 1v1j h ILE 145 Ca 0.08 -0.61 0.09 0.00 -0.39 0.00 0.00 64.86 64.02 1v1j h ILE 145 Cb 0.77 0.58 -0.06 0.00 -3.07 0.00 0.00 36.82 35.05 1v1j h ILE 145 CO 0.06 0.24 0.55 0.00 -0.69 0.00 0.00 178.15 178.32 1v1j h ALA 146 N 1.09 1.65 0.01 1.87 0.00 -0.61 0.30 119.26 123.57 1v1j h ALA 146 Ca 0.19 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 1v1j h ALA 146 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1v1j h ALA 146 CO -0.02 0.19 -0.91 0.00 0.00 0.00 0.00 179.25 178.51 1v1j h ALA 147 N 1.56 0.50 0.13 0.00 0.00 -0.82 -2.13 119.26 118.50 1v1j h ALA 147 Ca 0.38 -0.81 -0.30 0.00 0.00 0.00 0.00 54.91 54.18 1v1j h ALA 147 Cb 0.35 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1v1j h ALA 147 CO -0.15 1.08 -1.50 -0.07 0.00 0.00 0.00 179.25 178.61 1v1j h LEU 148 N 0.02 0.42 -0.47 0.00 3.38 -0.40 -3.29 115.31 114.97 1v1j h LEU 148 Ca -0.02 -0.56 -0.16 0.00 0.09 0.00 0.00 57.88 57.23 1v1j h LEU 148 Cb 1.60 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 1v1j h LEU 148 CO 0.12 1.46 -0.52 0.00 0.09 0.00 0.00 178.44 179.59 1v1j h ALA 149 N 0.48 0.65 0.00 1.53 0.00 -0.51 -3.50 119.26 117.91 1v1j h ALA 149 Ca -0.23 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1v1j h ALA 149 Cb 2.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1v1j h ALA 149 CO 0.17 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.51