#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 3.46 0.41 0.54 0.52 -1.26 -5.13 118.95 117.48 1v1j s ARG 2 Ca 0.00 -0.53 0.08 0.00 -0.52 0.00 0.00 55.73 54.76 1v1j s ARG 2 Cb 0.00 -2.95 -0.01 0.00 0.52 0.00 0.00 34.95 32.51 1v1j s ARG 2 CO 0.00 0.51 0.47 -1.54 0.02 0.00 0.00 175.30 174.76 1v1j s SER 3 N -3.12 5.42 0.64 0.23 1.04 -1.26 -4.75 113.70 111.90 1v1j s SER 3 Ca 0.35 -0.53 0.31 0.00 0.48 0.00 0.00 55.95 56.56 1v1j s SER 3 Cb -0.11 -0.69 1.69 0.00 0.10 0.00 0.00 66.02 67.01 1v1j s SER 3 CO 0.28 -0.66 1.99 -0.07 0.98 0.00 0.00 173.24 175.76 1v1j h LEU 4 N 0.86 0.00 0.00 2.42 4.07 -1.87 -1.36 115.31 119.44 1v1j h LEU 4 Ca -0.41 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.43 1v1j h LEU 4 Cb 1.27 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.99 1v1j h LEU 4 CO 0.51 0.00 -1.09 0.00 -1.08 0.00 0.00 178.44 176.78 1v1j h ALA 5 N 1.49 0.64 0.00 1.53 0.00 -1.93 -3.36 119.26 117.63 1v1j h ALA 5 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1v1j h ALA 5 Cb 0.66 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1v1j h ALA 5 CO -0.00 0.62 -1.05 0.09 0.00 0.00 0.00 179.25 178.90 1v1j n ASN 6 N -2.91 0.64 -3.60 0.00 3.02 -0.54 -4.98 115.26 106.90 1v1j n ASN 6 Ca -0.05 -0.40 -0.14 0.00 -0.03 0.00 0.00 54.58 53.96 1v1j n ASN 6 Cb 0.74 0.90 -0.07 0.00 -0.61 0.00 0.00 39.78 40.75 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 -3.15 -1.83 0.78 5.41 0.00 -1.05 -4.92 121.76 116.99 1v1j s ALA 7 Ca 0.05 1.77 -0.11 0.00 0.00 0.00 0.00 51.96 53.66 1v1j s ALA 7 Cb 0.15 -0.88 0.06 0.00 0.00 0.00 0.00 23.12 22.45 1v1j s ALA 7 CO 0.82 -0.32 1.09 -1.25 0.00 0.00 0.00 175.76 176.09 1v1j s PRO 8 N -0.21 2.20 -0.06 0.00 0.04 -1.26 -4.36 135.00 131.35 1v1j s PRO 8 Ca -0.02 0.77 -0.26 0.00 0.04 0.00 0.00 61.00 61.53 1v1j s PRO 8 Cb -0.03 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 1v1j s PRO 8 CO 0.02 -1.57 0.80 0.42 0.04 0.00 0.00 177.00 176.71 1v1j s ILE 9 N -3.09 4.97 -0.10 0.56 1.01 -0.04 -1.25 121.20 123.26 1v1j s ILE 9 Ca 0.60 1.66 -0.20 0.00 0.00 0.00 0.00 60.65 62.71 1v1j s ILE 9 Cb -0.15 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1v1j s ILE 9 CO 0.55 0.19 0.57 -0.32 0.00 0.00 0.00 174.94 175.93 1v1j s MET 10 N 1.04 4.37 -0.31 2.79 -2.45 -0.83 -1.15 119.30 122.76 1v1j s MET 10 Ca 0.42 0.62 -0.01 0.00 -1.25 0.00 0.00 55.69 55.47 1v1j s MET 10 Cb -0.19 -3.45 0.06 0.00 1.25 0.00 0.00 34.83 32.51 1v1j s MET 10 CO 0.20 0.11 0.01 0.42 1.05 0.00 0.00 175.02 176.81 1v1j s ILE 11 N 0.74 2.91 -0.13 10.11 -1.09 0.11 -1.27 121.20 132.58 1v1j s ILE 11 Ca 0.30 -1.52 -0.06 0.00 -2.23 0.00 0.00 60.65 57.14 1v1j s ILE 11 Cb -0.16 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.95 1v1j s ILE 11 CO 0.13 -0.18 0.09 -0.76 -1.23 0.00 0.00 174.94 172.99 1v1j s LEU 12 N 1.21 4.04 -0.06 2.97 1.43 0.34 -1.21 118.68 127.40 1v1j s LEU 12 Ca -0.03 0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 1v1j s LEU 12 Cb -0.20 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.03 1v1j s LEU 12 CO -0.02 0.32 -0.20 0.20 0.23 0.00 0.00 176.35 176.88 1v1j s ASN 13 N -0.52 2.53 0.17 2.29 0.01 0.15 -0.91 114.94 118.65 1v1j s ASN 13 Ca 0.11 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 51.84 1v1j s ASN 13 Cb -0.12 -0.79 0.00 0.00 0.41 0.00 0.00 41.25 40.75 1v1j s ASN 13 CO 0.02 0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 1v1j n GLY 14 N 3.18 0.65 3.73 0.66 0.00 0.17 -1.61 105.19 111.97 1v1j n GLY 14 Ca -0.18 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 1v1j n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v1j s PRO 15 N 0.10 2.46 0.00 1.61 0.04 -1.03 -3.10 135.00 135.08 1v1j s PRO 15 Ca 0.00 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1v1j s PRO 15 Cb 0.00 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1v1j s PRO 15 CO 0.00 -1.60 0.00 0.09 0.04 0.00 0.00 177.00 175.53 1v1j n ASN 16 N -2.27 0.00 0.18 6.66 3.02 -1.26 -4.59 115.26 117.00 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 -1.46 0.46 0.00 -0.61 0.00 0.00 39.78 38.66 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 -2.50 3.41 3.38 -1.91 -1.98 115.31 115.70 1v1j h LEU 17 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 0.16 -0.55 0.09 0.00 0.00 178.44 178.14 1v1j h ASN 18 N 0.00 0.00 -0.61 -0.43 -1.07 -1.87 -0.08 115.58 111.51 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 0.63 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.88 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 -3.02 3.57 -4.63 6.14 4.77 -0.74 -4.85 117.00 118.24 1v1j n LEU 19 Ca -0.02 -1.73 -0.47 0.00 -0.03 0.00 0.00 56.01 53.75 1v1j n LEU 19 Cb 0.22 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 1v1j n LEU 19 CO 0.17 0.87 0.93 -0.11 -1.33 0.00 0.00 177.39 177.92 1v1j n LEU 20 N 1.47 2.44 0.00 2.23 7.94 -0.04 -1.96 117.00 129.07 1v1j n LEU 20 Ca 0.22 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.25 1v1j n LEU 20 Cb 0.58 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.19 1v1j n LEU 20 CO 0.16 -0.79 0.00 0.61 -1.11 0.00 0.00 177.39 176.26 1v1j n GLY 21 N 2.30 0.61 0.00 -3.96 0.00 -0.98 -4.00 105.19 99.16 1v1j n GLY 21 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.73 -0.41 -3.53 1.61 6.02 -0.83 -4.77 117.38 112.74 1v1j n GLN 22 Ca 0.00 -0.40 -0.17 0.00 -0.01 0.00 0.00 57.00 56.42 1v1j n GLN 22 Cb 0.00 -0.82 -0.06 0.00 1.02 0.00 0.00 30.24 30.38 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 -0.06 0.99 -1.30 -1.09 3.03 -1.26 -4.98 118.95 114.29 1v1j s ARG 23 Ca 0.00 0.27 -0.18 0.00 2.03 0.00 0.00 55.73 57.85 1v1j s ARG 23 Cb 0.00 0.47 0.01 0.00 -1.03 0.00 0.00 34.95 34.40 1v1j s ARG 23 CO 0.00 -0.30 0.53 1.04 -1.13 0.00 0.00 175.30 175.44 1v1j n GLN 24 N 0.94 -1.26 -0.32 3.89 6.02 -1.26 -4.68 117.38 120.72 1v1j n GLN 24 Ca -0.18 0.24 -0.04 0.00 -0.01 0.00 0.00 57.00 57.01 1v1j n GLN 24 Cb 0.57 -3.54 0.08 0.00 1.02 0.00 0.00 30.24 28.37 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 -2.13 1.19 -0.07 -1.09 0.13 -1.94 0.17 132.00 128.26 1v1j h PRO 25 Ca -0.68 -0.13 0.02 0.00 -0.87 0.00 0.00 66.00 64.34 1v1j h PRO 25 Cb 1.39 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1v1j h PRO 25 CO 0.57 0.87 0.23 0.93 -0.23 0.00 0.00 178.00 180.36 1v1j h GLU 26 N 1.19 0.00 0.00 0.86 3.07 -1.88 2.28 114.58 120.09 1v1j h GLU 26 Ca 0.30 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.73 1v1j h GLU 26 Cb 0.02 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.86 1v1j h GLU 26 CO -0.05 0.00 -2.47 -0.89 -1.40 0.00 0.00 179.01 174.20 1v1j n ILE 27 N -3.20 1.46 0.57 3.13 5.41 -0.68 -4.73 119.36 121.31 1v1j n ILE 27 Ca -0.01 -0.42 0.06 0.00 1.00 0.00 0.00 62.75 63.38 1v1j n ILE 27 Cb 0.31 -1.73 -0.08 0.00 -0.71 0.00 0.00 39.64 37.43 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 -3.93 0.00 -1.03 1.39 4.02 0.51 -4.41 117.16 113.72 1v1j n TYR 28 Ca -0.50 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.39 1v1j n TYR 28 Cb 0.90 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.20 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 1.34 -2.53 0.35 2.72 0.00 0.77 -4.71 105.19 103.13 1v1j n GLY 29 Ca 0.02 -1.82 0.03 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 0.08 2.52 -4.83 1.61 3.41 -1.26 -4.05 113.62 111.10 1v1j n SER 30 Ca 0.00 -2.03 -0.33 0.00 -0.26 0.00 0.00 58.87 56.25 1v1j n SER 30 Cb 0.00 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.04 6.88 0.55 4.04 1.01 -1.26 -4.70 116.67 122.14 1v1j s ASP 31 Ca 0.13 1.56 0.07 0.00 0.71 0.00 0.00 52.55 55.03 1v1j s ASP 31 Cb 0.07 -2.49 0.07 0.00 1.01 0.00 0.00 42.92 41.58 1v1j s ASP 31 CO 0.08 -0.32 0.75 0.42 0.21 0.00 0.00 175.17 176.31 1v1j s THR 32 N -2.14 2.44 0.25 -1.27 -4.23 -1.26 -2.31 115.64 107.12 1v1j s THR 32 Ca 0.60 -0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 60.17 1v1j s THR 32 Cb -0.09 -2.52 0.10 0.00 1.34 0.00 0.00 72.50 71.32 1v1j s THR 32 CO 0.15 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.21 1v1j h LEU 33 N 0.21 0.75 -1.35 4.79 5.85 -1.84 -0.98 115.31 122.75 1v1j h LEU 33 Ca -0.35 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 1v1j h LEU 33 Cb 1.28 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1v1j h LEU 33 CO 0.43 0.85 0.17 0.00 -0.34 0.00 0.00 178.44 179.55 1v1j h ALA 34 N 1.22 1.49 -0.36 1.25 0.00 -1.94 0.24 119.26 121.17 1v1j h ALA 34 Ca 0.13 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1v1j h ALA 34 Cb 0.52 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1v1j h ALA 34 CO 0.03 0.39 0.01 -0.44 0.00 0.00 0.00 179.25 179.25 1v1j h ASP 35 N 0.61 0.53 -0.07 0.00 3.32 -1.57 -1.95 116.42 117.28 1v1j h ASP 35 Ca 0.15 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1v1j h ASP 35 Cb 0.13 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1v1j h ASP 35 CO -0.01 0.59 -0.32 0.58 -1.72 0.00 0.00 179.24 178.35 1v1j h VAL 36 N 0.54 1.43 -0.88 -1.35 2.07 -0.81 -1.81 116.25 115.44 1v1j h VAL 36 Ca 0.12 -1.73 0.11 0.00 0.82 0.00 0.00 66.70 66.02 1v1j h VAL 36 Cb 0.33 2.33 -0.08 0.00 -1.52 0.00 0.00 31.29 32.35 1v1j h VAL 36 CO 0.01 0.50 0.51 -0.08 0.02 0.00 0.00 177.57 178.53 1v1j h GLU 37 N -0.16 0.80 -0.31 1.57 4.81 -0.74 0.37 114.58 120.92 1v1j h GLU 37 Ca -0.02 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1v1j h GLU 37 Cb 0.97 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1v1j h GLU 37 CO 0.07 0.53 -0.11 0.00 -0.73 0.00 0.00 179.01 178.76 1v1j h ALA 38 N 1.49 1.23 -0.58 2.92 0.00 -1.14 0.11 119.26 123.30 1v1j h ALA 38 Ca 0.43 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1v1j h ALA 38 Cb 0.43 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1v1j h ALA 38 CO -0.27 0.50 -0.03 -0.07 0.00 0.00 0.00 179.25 179.39 1v1j h LEU 39 N 0.49 1.01 -0.61 0.00 3.38 -0.13 -2.15 115.31 117.30 1v1j h LEU 39 Ca 0.09 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 1v1j h LEU 39 Cb 0.49 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1v1j h LEU 39 CO 0.03 1.07 -0.23 0.00 0.09 0.00 0.00 178.44 179.40 1v1j h VAL 41 N 0.74 1.25 -0.21 0.00 2.07 -0.31 -0.54 116.25 119.24 1v1j h VAL 41 Ca 0.10 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 1v1j h VAL 41 Cb 0.77 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1v1j h VAL 41 CO 0.06 0.31 -0.03 0.50 0.02 0.00 0.00 177.57 178.43 1v1j h LYS 42 N 1.04 0.40 -0.53 1.57 3.64 -1.31 -1.18 116.57 120.19 1v1j h LYS 42 Ca 0.24 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1v1j h LYS 42 Cb 0.20 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1v1j h LYS 42 CO -0.02 0.63 0.35 0.00 -2.27 0.00 0.00 179.45 178.13 1v1j h ALA 43 N 0.76 0.67 -0.16 5.00 0.00 -1.15 -2.50 119.26 121.88 1v1j h ALA 43 Ca 0.06 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1v1j h ALA 43 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1v1j h ALA 43 CO 0.02 0.12 -0.45 0.00 0.00 0.00 0.00 179.25 178.94 1v1j h ALA 44 N 1.19 0.94 -0.18 0.00 0.00 -0.90 -2.76 119.26 117.54 1v1j h ALA 44 Ca 0.19 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1v1j h ALA 44 Cb -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1v1j h ALA 44 CO -0.04 0.64 -0.24 0.00 0.00 0.00 0.00 179.25 179.61 1v1j h ALA 45 N 1.21 1.26 0.00 0.00 0.00 -0.92 0.86 119.26 121.68 1v1j h ALA 45 Ca 0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1v1j h ALA 45 Cb 0.92 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1v1j h ALA 45 CO 0.08 0.49 -0.00 0.00 0.00 0.00 0.00 179.25 179.82 1v1j h ALA 46 N 1.46 1.00 -0.07 0.00 0.00 -1.15 -0.19 119.26 120.32 1v1j h ALA 46 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1v1j h ALA 46 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1v1j h ALA 46 CO 0.04 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.01 1v1j n HIS 47 N -3.09 0.08 -0.16 0.00 8.25 0.09 -4.95 115.22 115.44 1v1j n HIS 47 Ca -0.03 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1v1j n HIS 47 Cb 0.08 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 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 0.89 0.91 2.47 -1.41 0.00 -0.08 -4.95 105.19 103.01 1v1j n GLY 48 Ca 0.10 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.16 3.69 3.35 -0.02 0.00 -0.02 -4.55 105.19 105.48 1v1j n GLY 49 Ca 0.00 -2.31 -0.18 0.00 0.00 0.00 0.00 46.02 43.53 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 -2.20 0.72 0.08 2.61 -4.23 -1.26 -3.43 115.64 107.92 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 -2.68 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 1v1j s THR 50 CO 0.01 0.00 -0.11 0.68 -0.54 0.00 0.00 174.62 174.66 1v1j s VAL 51 N -3.64 0.96 -0.28 2.29 -7.23 -1.26 -0.86 120.40 110.39 1v1j s VAL 51 Ca 0.38 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 59.10 1v1j s VAL 51 Cb 0.08 -1.18 0.08 0.00 0.56 0.00 0.00 36.38 35.92 1v1j s VAL 51 CO 0.14 -0.42 -0.00 -0.62 -0.31 0.00 0.00 175.10 173.89 1v1j s ASP 52 N -2.11 4.17 -0.24 4.85 -1.08 -0.30 -4.90 116.67 117.05 1v1j s ASP 52 Ca 0.01 -1.54 -0.07 0.00 -0.52 0.00 0.00 52.55 50.43 1v1j s ASP 52 Cb -0.06 -1.26 -0.03 0.00 -1.46 0.00 0.00 42.92 40.11 1v1j s ASP 52 CO 0.01 -0.31 0.06 0.12 0.52 0.00 0.00 175.17 175.57 1v1j s PHE 53 N 1.29 3.08 0.07 -5.34 5.36 -1.26 -0.71 117.98 120.47 1v1j s PHE 53 Ca 0.01 -0.45 0.02 0.00 -0.96 0.00 0.00 56.93 55.56 1v1j s PHE 53 Cb -0.19 -2.22 -0.03 0.00 -0.34 0.00 0.00 43.02 40.24 1v1j s PHE 53 CO -0.10 -0.36 -0.08 1.03 -1.46 0.00 0.00 175.22 174.25 1v1j s ARG 54 N 1.55 0.70 -0.01 10.12 0.52 -0.35 -4.98 118.95 126.50 1v1j s ARG 54 Ca 0.06 -1.05 -0.00 0.00 -0.52 0.00 0.00 55.73 54.22 1v1j s ARG 54 Cb -0.15 -0.31 0.02 0.00 0.52 0.00 0.00 34.95 35.03 1v1j s ARG 54 CO 0.03 0.03 0.02 -1.14 0.02 0.00 0.00 175.30 174.27 1v1j s GLN 55 N -2.65 -0.01 -0.00 3.54 -0.44 -1.26 -0.68 119.66 118.16 1v1j s GLN 55 Ca 0.01 0.11 -0.10 0.00 -2.50 0.00 0.00 55.36 52.88 1v1j s GLN 55 Cb -0.03 -0.13 0.01 0.00 -1.64 0.00 0.00 33.01 31.22 1v1j s GLN 55 CO -0.02 -0.09 0.20 0.45 0.50 0.00 0.00 175.29 176.33 1v1j s SER 56 N 0.57 -0.05 0.00 6.67 0.15 -0.64 -4.96 113.70 115.45 1v1j s SER 56 Ca -0.05 -0.11 0.25 0.00 0.70 0.00 0.00 55.95 56.74 1v1j s SER 56 Cb -0.07 0.24 0.52 0.00 -1.71 0.00 0.00 66.02 65.01 1v1j s SER 56 CO -0.02 -0.41 1.44 0.59 1.20 0.00 0.00 173.24 176.05 1v1j n ASN 57 N 1.35 2.48 -4.43 5.45 3.02 -1.26 -2.45 115.26 119.42 1v1j n ASN 57 Ca -0.22 -1.82 -0.35 0.00 -0.03 0.00 0.00 54.58 52.16 1v1j n ASN 57 Cb 0.56 -0.03 -0.13 0.00 -0.61 0.00 0.00 39.78 39.57 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 -1.95 3.04 0.15 3.10 3.76 -1.26 -4.76 115.29 117.37 1v1j s HIS 58 Ca 0.32 -0.50 -0.17 0.00 -0.15 0.00 0.00 55.06 54.57 1v1j s HIS 58 Cb 0.20 -2.10 0.06 0.00 1.11 0.00 0.00 32.58 31.85 1v1j s HIS 58 CO 0.31 -0.28 1.72 1.49 -0.85 0.00 0.00 174.74 177.13 1v1j h GLU 59 N 7.61 0.14 0.00 1.40 4.81 -2.00 -2.16 114.58 124.38 1v1j h GLU 59 Ca -0.37 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.79 1v1j h GLU 59 Cb 1.18 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1v1j h GLU 59 CO 0.61 0.09 -0.30 0.78 -0.73 0.00 0.00 179.01 179.46 1v1j h GLY 60 N 0.14 0.00 1.58 1.92 0.00 -1.99 -1.19 103.07 103.53 1v1j h GLY 60 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.29 1v1j h GLY 60 CO -0.23 0.00 -0.83 -2.09 0.00 0.00 0.00 176.54 173.39 1v1j h GLU 61 N 0.00 0.40 -0.50 4.80 4.81 -1.90 -0.10 114.58 122.09 1v1j h GLU 61 Ca -0.00 -0.37 -0.07 0.00 -0.13 0.00 0.00 59.36 58.79 1v1j h GLU 61 Cb 0.54 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1v1j h GLU 61 CO 0.04 1.03 0.04 -0.07 -0.73 0.00 0.00 179.01 179.31 1v1j h LEU 62 N 0.25 0.77 -0.21 1.64 3.38 -0.70 -0.22 115.31 120.22 1v1j h LEU 62 Ca -0.05 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1v1j h LEU 62 Cb 1.43 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1v1j h LEU 62 CO 0.14 0.81 0.02 0.58 0.09 0.00 0.00 178.44 180.08 1v1j h VAL 63 N 0.76 1.24 -0.65 1.22 2.07 -0.85 -1.07 116.25 118.97 1v1j h VAL 63 Ca 0.15 -0.82 0.09 0.00 0.82 0.00 0.00 66.70 66.95 1v1j h VAL 63 Cb 0.41 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 1v1j h VAL 63 CO 0.01 0.25 0.29 0.44 0.02 0.00 0.00 177.57 178.58 1v1j h ASP 64 N 0.14 0.34 0.44 0.57 3.32 -0.57 -0.94 116.42 119.73 1v1j h ASP 64 Ca 0.06 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 1v1j h ASP 64 Cb 0.36 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1v1j h ASP 64 CO 0.01 0.20 -0.35 -0.50 -1.72 0.00 0.00 179.24 176.87 1v1j h TRP 65 N 0.50 0.00 -0.47 4.55 6.55 -0.63 -1.95 115.95 124.50 1v1j h TRP 65 Ca 0.32 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 60.06 1v1j h TRP 65 Cb 0.37 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.65 1v1j h TRP 65 CO -0.14 0.35 -0.10 0.82 -1.05 0.00 0.00 178.44 178.33 1v1j h ILE 66 N 0.00 1.27 -0.37 1.49 2.04 0.11 -1.20 117.51 120.85 1v1j h ILE 66 Ca -0.00 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.62 1v1j h ILE 66 Cb 0.67 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1v1j h ILE 66 CO 0.05 0.42 0.17 0.45 0.00 0.00 0.00 178.15 179.23 1v1j h HIS 67 N 0.73 0.51 -0.30 1.37 3.86 -0.64 -0.87 115.15 119.82 1v1j h HIS 67 Ca 0.12 -0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.15 1v1j h HIS 67 Cb 0.65 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.95 1v1j h HIS 67 CO 0.05 0.39 -0.47 1.49 0.86 0.00 0.00 177.93 180.25 1v1j h GLU 68 N 0.52 0.81 -0.14 2.45 4.81 -0.97 -2.80 114.58 119.26 1v1j h GLU 68 Ca 0.13 -0.46 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 1v1j h GLU 68 Cb 0.08 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1v1j h GLU 68 CO -0.02 1.10 0.04 0.00 -0.73 0.00 0.00 179.01 179.40 1v1j h ALA 69 N 0.83 1.82 -0.08 2.92 0.00 0.05 -1.19 119.26 123.61 1v1j h ALA 69 Ca 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1v1j h ALA 69 Cb 1.04 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1v1j h ALA 69 CO 0.10 0.15 0.06 0.00 0.00 0.00 0.00 179.25 179.56 1v1j h ARG 70 N 0.19 0.09 0.00 0.00 3.08 -1.11 -1.87 114.38 114.76 1v1j h ARG 70 Ca 0.05 -0.01 -0.33 0.00 0.07 0.00 0.00 59.98 59.77 1v1j h ARG 70 Cb 0.06 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 1v1j h ARG 70 CO -0.00 0.06 -2.16 1.28 -1.07 0.00 0.00 179.97 178.07 1v1j n LEU 71 N -4.52 0.26 0.00 3.04 4.77 -0.53 -4.73 117.00 115.28 1v1j n LEU 71 Ca -0.02 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1v1j n LEU 71 Cb 0.10 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1v1j n LEU 71 CO 0.34 0.44 0.24 0.59 -1.33 0.00 0.00 177.39 177.67 1v1j n ASN 72 N -2.81 0.96 -4.42 -1.43 3.02 -0.70 -5.08 115.26 104.80 1v1j n ASN 72 Ca -0.27 -1.01 -0.21 0.00 -0.03 0.00 0.00 54.58 53.06 1v1j n ASN 72 Cb 1.10 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 40.16 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 -0.01 1.90 -1.26 3.10 3.76 -0.72 -4.31 115.29 117.74 1v1j s HIS 73 Ca 0.00 -1.00 0.17 0.00 -0.15 0.00 0.00 55.06 54.09 1v1j s HIS 73 Cb 0.00 -1.22 -0.09 0.00 1.11 0.00 0.00 32.58 32.38 1v1j s HIS 73 CO 0.00 -0.05 0.83 0.00 -0.85 0.00 0.00 174.74 174.67 1v1j n GLY 75 N 1.31 0.29 2.89 0.00 0.00 -1.26 -4.46 105.19 103.96 1v1j n GLY 75 Ca 0.05 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 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 0.52 -0.23 -0.61 1.01 -0.48 -1.96 121.20 117.45 1v1j s ILE 76 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 1v1j s ILE 76 Cb 0.00 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 1v1j s ILE 76 CO 0.00 0.22 0.04 -0.69 0.00 0.00 0.00 174.94 174.52 1v1j s VAL 77 N 0.94 4.20 -0.05 2.92 1.01 -0.40 -0.49 120.40 128.54 1v1j s VAL 77 Ca -0.11 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1v1j s VAL 77 Cb -0.14 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1v1j s VAL 77 CO -0.00 0.38 -0.12 -0.51 0.00 0.00 0.00 175.10 174.85 1v1j s ILE 78 N 1.33 1.07 -0.53 2.22 2.07 0.47 -0.51 121.20 127.32 1v1j s ILE 78 Ca 0.05 -0.46 -0.03 0.00 -1.41 0.00 0.00 60.65 58.80 1v1j s ILE 78 Cb -0.15 -0.97 0.14 0.00 0.13 0.00 0.00 42.46 41.62 1v1j s ILE 78 CO 0.03 0.33 0.33 0.21 -1.91 0.00 0.00 174.94 173.93 1v1j s ASN 79 N 0.51 5.21 0.00 4.50 3.84 -0.09 -0.29 114.94 128.61 1v1j s ASN 79 Ca -0.11 -2.52 0.26 0.00 0.21 0.00 0.00 52.86 50.71 1v1j s ASN 79 Cb -0.14 -1.83 1.45 0.00 -0.55 0.00 0.00 41.25 40.18 1v1j s ASN 79 CO 0.03 -0.44 1.91 -2.65 -2.79 0.00 0.00 177.10 173.16 1v1j n PRO 80 N 3.93 0.60 0.00 0.43 -0.02 -1.26 -0.66 135.00 138.02 1v1j n PRO 80 Ca 0.03 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 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 -1.15 0.00 0.26 3.55 0.00 -1.26 -2.26 120.51 119.66 1v1j n ALA 81 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.70 1v1j n ALA 81 Cb 0.15 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.44 1.76 0.00 0.00 0.00 -1.93 0.49 119.26 119.14 1v1j h ALA 82 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1v1j h ALA 82 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1v1j h ALA 82 CO 0.00 0.05 0.00 1.88 0.00 0.00 0.00 179.25 181.18 1v1j h TYR 83 N 0.00 0.00 -0.94 0.00 0.99 -1.85 -2.75 116.97 112.41 1v1j h TYR 83 Ca -0.00 0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.91 1v1j h TYR 83 Cb 0.08 0.00 -0.08 0.00 1.00 0.00 0.00 36.73 37.73 1v1j h TYR 83 CO 0.00 0.00 0.60 0.77 -0.00 0.00 0.00 178.16 179.53 1v1j h SER 84 N 0.00 0.61 0.28 3.88 0.02 -0.94 -0.57 113.55 116.84 1v1j h SER 84 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1v1j h SER 84 Cb 0.49 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1v1j h SER 84 CO 0.00 0.25 -0.68 1.41 -1.14 0.00 0.00 176.83 176.68 1v1j n HIS 85 N -4.61 0.00 0.00 3.45 8.25 -1.04 -1.26 115.22 120.01 1v1j n HIS 85 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1v1j n HIS 85 Cb 0.60 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.56 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 -1.42 0.00 -3.26 1.59 -2.24 -1.04 -4.84 114.28 103.08 1v1j n THR 86 Ca 0.05 -0.13 -0.46 0.00 -2.27 0.00 0.00 64.05 61.24 1v1j n THR 86 Cb 0.34 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 69.13 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 -0.98 6.31 0.52 3.42 0.15 -0.25 -4.79 113.70 118.08 1v1j s SER 87 Ca 0.00 -1.89 0.27 0.00 0.70 0.00 0.00 55.95 55.02 1v1j s SER 87 Cb 0.00 -2.24 1.41 0.00 -1.71 0.00 0.00 66.02 63.48 1v1j s SER 87 CO 0.00 -0.87 2.06 0.58 1.20 0.00 0.00 173.24 176.21 1v1j h VAL 88 N 5.68 0.58 -0.51 4.45 2.07 -1.95 -3.14 116.25 123.44 1v1j h VAL 88 Ca -0.21 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 1v1j h VAL 88 Cb 1.08 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1v1j h VAL 88 CO 1.00 0.12 -0.06 0.00 0.02 0.00 0.00 177.57 178.65 1v1j h ALA 89 N 1.87 0.93 -0.17 1.67 0.00 -1.97 -0.58 119.26 121.02 1v1j h ALA 89 Ca -0.00 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 1v1j h ALA 89 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1v1j h ALA 89 CO 0.02 0.63 -0.52 0.82 0.00 0.00 0.00 179.25 180.20 1v1j h ILE 90 N 0.82 1.33 -0.08 0.00 2.04 -1.91 -1.61 117.51 118.09 1v1j h ILE 90 Ca 0.14 -1.76 -0.00 0.00 1.00 0.00 0.00 64.86 64.24 1v1j h ILE 90 Cb 0.58 1.75 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1v1j h ILE 90 CO 0.03 0.54 0.05 0.25 0.00 0.00 0.00 178.15 179.03 1v1j h LEU 91 N 0.38 0.10 -1.40 1.44 5.85 -1.33 -0.85 115.31 119.50 1v1j h LEU 91 Ca 0.01 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1v1j h LEU 91 Cb 1.04 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1v1j h LEU 91 CO 0.09 0.13 -0.24 0.44 -0.34 0.00 0.00 178.44 178.52 1v1j h ASP 92 N 0.07 0.08 -0.27 1.25 3.32 -0.99 -0.19 116.42 119.69 1v1j h ASP 92 Ca 0.03 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1v1j h ASP 92 Cb 0.04 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1v1j h ASP 92 CO -0.01 0.33 -0.17 0.00 -1.72 0.00 0.00 179.24 177.67 1v1j h ALA 93 N 1.68 0.38 0.00 3.45 0.00 -0.65 -2.21 119.26 121.91 1v1j h ALA 93 Ca 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1v1j h ALA 93 Cb 0.47 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1v1j h ALA 93 CO 0.03 0.29 -0.11 -0.07 0.00 0.00 0.00 179.25 179.40 1v1j h LEU 94 N 0.31 0.00 -0.38 0.00 3.38 -0.66 -1.98 115.31 115.98 1v1j h LEU 94 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1v1j h LEU 94 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1v1j h LEU 94 CO 0.05 0.11 0.00 0.59 0.09 0.00 0.00 178.44 179.27 1v1j n ASN 95 N -4.07 0.53 0.09 -0.43 5.03 -0.13 -1.81 115.26 114.48 1v1j n ASN 95 Ca -0.02 0.61 0.12 0.00 0.87 0.00 0.00 54.58 56.15 1v1j n ASN 95 Cb 0.19 -0.73 0.18 0.00 -1.02 0.00 0.00 39.78 38.40 1v1j n ASN 95 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1v1j h THR 96 N 0.00 0.00 0.00 3.41 1.35 -1.11 -3.39 112.91 113.17 1v1j h THR 96 Ca 0.00 -0.64 -0.69 0.00 -0.55 0.00 0.00 66.41 64.52 1v1j h THR 96 Cb 0.43 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 68.16 1v1j h THR 96 CO 0.00 0.00 3.18 0.00 -0.25 0.00 0.00 175.52 178.45 1v1j s ASP 98 N 3.18 6.62 0.00 0.00 1.01 -1.26 -2.01 116.67 124.21 1v1j s ASP 98 Ca 0.52 2.48 0.00 0.00 0.71 0.00 0.00 52.55 56.25 1v1j s ASP 98 Cb 0.15 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1v1j s ASP 98 CO -0.07 -0.86 0.00 0.61 0.21 0.00 0.00 175.17 175.06 1v1j n GLY 99 N 3.93 2.32 3.72 0.21 0.00 -1.26 -4.96 105.19 109.15 1v1j n GLY 99 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 0.14 0.99 2.96 -0.85 -4.98 118.68 121.33 1v1j s LEU 100 Ca 0.00 1.52 -0.30 0.00 -0.22 0.00 0.00 54.13 55.13 1v1j s LEU 100 Cb 0.00 -3.38 -0.07 0.00 0.50 0.00 0.00 46.19 43.24 1v1j s LEU 100 CO 0.00 -0.14 1.20 -2.84 -1.32 0.00 0.00 176.35 173.25 1v1j s PRO 101 N 0.60 4.47 -0.08 0.98 0.02 -1.26 -4.93 135.00 134.80 1v1j s PRO 101 Ca 0.45 1.83 0.02 0.00 0.02 0.00 0.00 61.00 63.32 1v1j s PRO 101 Cb -0.20 -3.28 0.01 0.00 0.02 0.00 0.00 34.50 31.05 1v1j s PRO 101 CO 0.25 -0.15 -0.13 0.08 -0.33 0.00 0.00 177.00 176.72 1v1j s VAL 102 N 0.36 1.26 -0.09 3.83 1.01 -1.26 -1.38 120.40 124.14 1v1j s VAL 102 Ca 0.55 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1v1j s VAL 102 Cb -0.31 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1v1j s VAL 102 CO 0.34 0.39 -0.21 -0.69 0.00 0.00 0.00 175.10 174.92 1v1j s VAL 103 N 0.78 1.83 -0.12 2.92 1.01 0.35 -0.98 120.40 126.20 1v1j s VAL 103 Ca -0.12 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.82 1v1j s VAL 103 Cb -0.16 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 1v1j s VAL 103 CO 0.02 0.51 0.36 -0.70 0.00 0.00 0.00 175.10 175.29 1v1j s GLU 104 N 0.34 4.17 -0.01 2.72 2.12 -0.25 -0.39 118.70 127.39 1v1j s GLU 104 Ca -0.16 0.24 0.05 0.00 0.36 0.00 0.00 54.97 55.46 1v1j s GLU 104 Cb -0.17 -3.37 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 1v1j s GLU 104 CO 0.07 0.34 -0.16 0.08 -0.54 0.00 0.00 175.26 175.05 1v1j s VAL 105 N 0.12 1.24 -0.04 3.70 1.01 0.60 -0.57 120.40 126.46 1v1j s VAL 105 Ca 0.20 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1v1j s VAL 105 Cb -0.14 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1v1j s VAL 105 CO 0.07 0.33 -0.09 -1.00 0.00 0.00 0.00 175.10 174.42 1v1j s HIS 106 N -0.40 1.04 0.01 5.22 3.76 0.07 -4.06 115.29 120.94 1v1j s HIS 106 Ca 0.06 -0.30 -0.23 0.00 -0.15 0.00 0.00 55.06 54.44 1v1j s HIS 106 Cb -0.06 -0.78 -0.17 0.00 1.11 0.00 0.00 32.58 32.68 1v1j s HIS 106 CO -0.00 -0.16 1.32 0.82 -0.85 0.00 0.00 174.74 175.86 1v1j h ILE 107 N 5.69 1.36 -3.55 0.60 2.04 -1.86 -2.16 117.51 119.62 1v1j h ILE 107 Ca -0.34 -1.20 -0.47 0.00 1.00 0.00 0.00 64.86 63.85 1v1j h ILE 107 Cb 1.17 2.00 0.05 0.00 -0.74 0.00 0.00 36.82 39.30 1v1j h ILE 107 CO 0.48 0.33 0.14 -0.94 0.00 0.00 0.00 178.15 178.17 1v1j s SER 108 N -5.89 5.67 -0.74 1.72 1.04 -1.26 -2.23 113.70 112.01 1v1j s SER 108 Ca -0.15 0.69 -0.20 0.00 0.48 0.00 0.00 55.95 56.76 1v1j s SER 108 Cb 0.03 -1.73 0.10 0.00 0.10 0.00 0.00 66.02 64.53 1v1j s SER 108 CO 0.71 -0.99 0.96 0.21 0.98 0.00 0.00 173.24 175.11 1v1j s ASN 109 N -4.28 6.34 0.57 7.02 3.84 -1.26 -2.65 114.94 124.52 1v1j s ASN 109 Ca 0.53 -1.47 0.37 0.00 0.21 0.00 0.00 52.86 52.50 1v1j s ASN 109 Cb -0.10 -2.38 2.00 0.00 -0.55 0.00 0.00 41.25 40.22 1v1j s ASN 109 CO 0.44 -1.23 2.13 0.16 -2.79 0.00 0.00 177.10 175.81 1v1j h ILE 110 N 5.89 0.00 -0.00 -5.21 3.07 -1.92 -1.77 117.51 117.57 1v1j h ILE 110 Ca -0.14 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.27 1v1j h ILE 110 Cb 1.06 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 38.43 1v1j h ILE 110 CO 1.13 0.00 -0.01 1.41 -1.05 0.00 0.00 178.15 179.63 1v1j n HIS 111 N -2.83 0.00 0.13 0.16 8.25 -1.26 -1.93 115.22 117.74 1v1j n HIS 111 Ca -0.02 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.54 1v1j n HIS 111 Cb 0.10 -0.47 0.20 0.00 1.12 0.00 0.00 29.99 30.94 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 -1.47 2.39 0.00 -0.41 6.02 -0.67 -4.98 117.38 118.26 1v1j n GLN 112 Ca 0.08 -2.19 0.00 0.00 -0.01 0.00 0.00 57.00 54.88 1v1j n GLN 112 Cb 0.33 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.14 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 1.26 3.63 -1.72 -1.09 1.74 -0.82 -5.06 116.66 114.60 1v1j n ARG 113 Ca 0.17 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.85 1v1j n ARG 113 Cb 0.54 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.00 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 0.00 1.97 -0.23 5.56 4.71 -1.26 -4.87 120.64 126.53 1v1j n GLU 114 Ca 0.00 0.71 0.19 0.00 -0.01 0.00 0.00 57.16 58.04 1v1j n GLU 114 Cb 0.00 -2.48 0.52 0.00 -1.01 0.00 0.00 31.44 28.46 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 2.02 0.38 0.00 3.49 0.11 -1.96 0.99 132.00 137.03 1v1j h PRO 115 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1v1j h PRO 115 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1v1j h PRO 115 CO 0.60 0.25 0.00 0.27 -0.21 0.00 0.00 178.00 178.91 1v1j h PHE 116 N 0.39 0.00 -0.00 0.65 -5.15 -1.97 -0.67 116.94 110.19 1v1j h PHE 116 Ca 0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.22 1v1j h PHE 116 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.30 1v1j h PHE 116 CO -0.00 0.00 -0.27 0.54 -2.00 0.00 0.00 178.31 176.57 1v1j n ARG 117 N -2.55 0.09 0.28 6.09 1.74 0.34 -4.01 116.66 118.65 1v1j n ARG 117 Ca 0.01 -0.04 0.18 0.00 -0.77 0.00 0.00 57.85 57.23 1v1j n ARG 117 Cb 0.22 -1.50 0.76 0.00 -1.02 0.00 0.00 32.46 30.92 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 0.09 0.00 -3.62 -1.55 3.86 -1.16 -3.43 115.15 109.34 1v1j h HIS 118 Ca 0.00 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.53 1v1j h HIS 118 Cb 0.49 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 28.78 1v1j h HIS 118 CO 0.00 0.02 -0.70 -1.58 0.86 0.00 0.00 177.93 176.54 1v1j s HIS 119 N -3.78 2.92 -0.07 2.45 5.65 -1.26 -4.95 115.29 116.25 1v1j s HIS 119 Ca -0.00 -0.01 0.01 0.00 0.25 0.00 0.00 55.06 55.30 1v1j s HIS 119 Cb 0.10 -1.65 0.02 0.00 -1.18 0.00 0.00 32.58 29.87 1v1j s HIS 119 CO 0.53 0.36 -0.06 0.45 -0.65 0.00 0.00 174.74 175.38 1v1j s SER 120 N -1.20 1.45 0.29 9.88 0.15 -1.26 -4.22 113.70 118.79 1v1j s SER 120 Ca 0.15 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.64 1v1j s SER 120 Cb -0.11 -0.59 0.44 0.00 -1.71 0.00 0.00 66.02 64.05 1v1j s SER 120 CO 0.05 -0.08 1.78 1.88 1.20 0.00 0.00 173.24 178.08 1v1j h TYR 121 N 7.54 0.65 0.00 3.44 -1.99 -1.51 -2.88 116.97 122.23 1v1j h TYR 121 Ca -0.32 -0.10 -0.04 0.00 2.00 0.00 0.00 58.73 60.28 1v1j h TYR 121 Cb 1.15 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.70 1v1j h TYR 121 CO 0.49 0.68 -0.19 0.28 -0.00 0.00 0.00 178.16 179.41 1v1j h VAL 122 N 0.57 0.99 0.00 -2.88 2.07 -1.88 -2.79 116.25 112.32 1v1j h VAL 122 Ca 0.11 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1v1j h VAL 122 Cb 0.48 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1v1j h VAL 122 CO 0.03 0.19 -0.04 0.28 0.02 0.00 0.00 177.57 178.05 1v1j h SER 123 N 0.00 0.00 0.24 0.57 0.02 -1.87 -0.16 113.55 112.35 1v1j h SER 123 Ca -0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1v1j h SER 123 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1v1j h SER 123 CO 0.03 0.04 -0.30 1.56 -1.14 0.00 0.00 176.83 177.02 1v1j h GLN 124 N 0.00 0.09 0.00 3.45 4.20 -1.66 -3.28 115.11 117.91 1v1j h GLN 124 Ca -0.00 -0.03 -0.36 0.00 0.06 0.00 0.00 58.65 58.32 1v1j h GLN 124 Cb 0.12 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 1v1j h GLN 124 CO 0.01 0.38 -2.34 -2.13 -0.67 0.00 0.00 178.83 174.08 1v1j n ARG 125 N -4.16 0.81 -1.76 1.46 3.00 -0.40 -5.01 116.66 110.61 1v1j n ARG 125 Ca -0.02 0.01 -0.40 0.00 -0.00 0.00 0.00 57.85 57.45 1v1j n ARG 125 Cb 0.36 -1.49 0.01 0.00 0.00 0.00 0.00 32.46 31.34 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 -2.79 2.08 -0.10 5.13 0.00 -0.21 -4.89 120.51 119.73 1v1j n ALA 126 Ca -0.33 0.27 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1v1j n ALA 126 Cb 1.10 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 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 2.41 0.48 -4.74 0.00 3.32 -1.41 -3.45 116.42 113.03 1v1j h ASP 127 Ca -0.51 -0.29 -0.24 0.00 0.02 0.00 0.00 57.03 56.01 1v1j h ASP 127 Cb 1.26 -0.13 -0.18 0.00 0.22 0.00 0.00 39.33 40.50 1v1j h ASP 127 CO 0.61 0.66 -0.71 -0.83 -1.72 0.00 0.00 179.24 177.25 1v1j s GLY 128 N -3.13 0.59 -0.05 2.75 0.00 -1.22 -5.07 107.32 101.19 1v1j s GLY 128 Ca -0.13 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.59 1v1j s GLY 128 CO 0.75 -1.08 -0.07 0.14 0.00 0.00 0.00 173.10 172.85 1v1j s VAL 129 N -2.39 0.70 -0.09 1.40 1.01 -1.26 -1.09 120.40 118.68 1v1j s VAL 129 Ca -0.01 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1v1j s VAL 129 Cb -0.03 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1v1j s VAL 129 CO -0.02 0.26 -0.19 -0.69 0.00 0.00 0.00 175.10 174.46 1v1j s VAL 130 N 0.83 1.67 -0.00 2.92 1.01 0.26 -4.97 120.40 122.12 1v1j s VAL 130 Ca -0.12 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1v1j s VAL 130 Cb -0.15 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1v1j s VAL 130 CO 0.01 0.47 0.00 0.00 0.00 0.00 0.00 175.10 175.59 1v1j s ALA 131 N 0.54 0.05 0.00 5.51 0.00 -1.26 -0.75 121.76 125.85 1v1j s ALA 131 Ca -0.16 0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1v1j s ALA 131 Cb -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1v1j s ALA 131 CO 0.06 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1v1j n GLY 132 N 3.30 0.49 1.93 0.00 0.00 -0.81 -4.76 105.19 105.34 1v1j n GLY 132 Ca -0.15 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.39 0.58 0.10 0.00 0.00 -0.95 -2.55 105.19 101.99 1v1j n GLY 134 Ca 0.41 -0.84 0.10 0.00 0.00 0.00 0.00 46.02 45.69 1v1j n GLY 134 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1v1j n VAL 135 N -0.32 0.94 0.29 1.61 0.24 -1.26 -1.60 118.33 118.23 1v1j n VAL 135 Ca 0.00 0.31 0.15 0.00 -2.04 0.00 0.00 64.34 62.76 1v1j n VAL 135 Cb 0.00 -1.21 0.89 0.00 -1.47 0.00 0.00 33.84 32.05 1v1j n VAL 135 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1v1j h GLN 136 N 0.00 0.00 -0.35 7.34 4.15 -1.91 -2.20 115.11 122.14 1v1j h GLN 136 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.44 1v1j h GLN 136 Cb 0.28 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 1v1j h GLN 136 CO 0.00 0.04 0.23 0.78 -1.93 0.00 0.00 178.83 177.95 1v1j h GLY 137 N 0.31 0.44 1.18 2.39 0.00 -1.02 0.21 103.07 106.59 1v1j h GLY 137 Ca -0.00 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.21 1v1j h GLY 137 CO 0.00 0.15 0.45 -0.97 0.00 0.00 0.00 176.54 176.17 1v1j h TYR 138 N 0.41 0.77 -0.23 5.60 -1.99 -1.59 -0.09 116.97 119.85 1v1j h TYR 138 Ca 0.14 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.79 1v1j h TYR 138 Cb 0.05 -0.26 -0.00 0.00 2.00 0.00 0.00 36.73 38.52 1v1j h TYR 138 CO -0.00 0.44 -0.22 0.28 -0.00 0.00 0.00 178.16 178.66 1v1j h VAL 139 N 0.79 1.32 -0.68 -2.88 2.07 -1.10 -1.18 116.25 114.60 1v1j h VAL 139 Ca 0.28 -1.39 0.09 0.00 0.82 0.00 0.00 66.70 66.51 1v1j h VAL 139 Cb 0.11 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 1v1j h VAL 139 CO -0.08 0.43 0.31 -0.26 0.02 0.00 0.00 177.57 177.99 1v1j h PHE 140 N 0.26 0.55 -0.53 1.57 0.05 -1.12 -0.14 116.94 117.58 1v1j h PHE 140 Ca 0.04 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.86 1v1j h PHE 140 Cb 0.78 -0.15 -0.03 0.00 2.00 0.00 0.00 35.95 38.55 1v1j h PHE 140 CO 0.08 0.18 0.34 0.78 -0.18 0.00 0.00 178.31 179.51 1v1j h GLY 141 N 0.53 0.75 1.12 -1.45 0.00 -0.68 -0.19 103.07 103.15 1v1j h GLY 141 Ca 0.34 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1v1j h GLY 141 CO -0.28 0.28 0.30 -2.08 0.00 0.00 0.00 176.54 174.75 1v1j h VAL 142 N 0.71 1.25 -0.26 4.60 2.07 -0.37 -1.76 116.25 122.50 1v1j h VAL 142 Ca 0.19 -0.80 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 1v1j h VAL 142 Cb -0.07 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1v1j h VAL 142 CO -0.04 0.32 -0.28 -0.08 0.02 0.00 0.00 177.57 177.51 1v1j h GLU 143 N 1.09 0.51 -0.21 1.57 4.57 -0.64 -1.01 114.58 120.47 1v1j h GLU 143 Ca 0.25 -0.21 -0.20 0.00 -1.18 0.00 0.00 59.36 58.03 1v1j h GLU 143 Cb 0.21 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1v1j h GLU 143 CO -0.02 0.75 -0.65 -0.09 -1.18 0.00 0.00 179.01 177.81 1v1j h ARG 144 N 0.45 0.77 -0.83 1.92 9.65 -0.61 -2.75 114.38 122.99 1v1j h ARG 144 Ca 0.06 -0.55 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1v1j h ARG 144 Cb 0.72 0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 29.35 1v1j h ARG 144 CO 0.06 1.17 0.53 0.82 2.80 0.00 0.00 179.97 185.35 1v1j h ILE 145 N 0.56 1.22 -0.55 1.20 1.08 -1.04 -0.99 117.51 118.99 1v1j h ILE 145 Ca -0.02 -0.43 -0.02 0.00 -0.39 0.00 0.00 64.86 64.00 1v1j h ILE 145 Cb 1.26 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.00 1v1j h ILE 145 CO 0.14 0.22 0.24 0.00 -0.69 0.00 0.00 178.15 178.06 1v1j h ALA 146 N 1.46 1.40 0.00 1.87 0.00 -1.05 0.28 119.26 123.22 1v1j h ALA 146 Ca 0.30 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1v1j h ALA 146 Cb -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1v1j h ALA 146 CO -0.06 0.47 -0.70 0.00 0.00 0.00 0.00 179.25 178.95 1v1j h ALA 147 N 1.49 0.60 0.13 0.00 0.00 -0.99 -2.19 119.26 118.30 1v1j h ALA 147 Ca 0.19 -0.64 -0.33 0.00 0.00 0.00 0.00 54.91 54.14 1v1j h ALA 147 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1v1j h ALA 147 CO -0.02 0.88 -1.67 -0.07 0.00 0.00 0.00 179.25 178.37 1v1j h LEU 148 N 0.00 0.45 -0.58 0.00 3.38 -0.79 -3.33 115.31 114.44 1v1j h LEU 148 Ca -0.01 -0.68 -0.15 0.00 0.09 0.00 0.00 57.88 57.13 1v1j h LEU 148 Cb 1.47 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1v1j h LEU 148 CO 0.09 1.58 -0.53 0.00 0.09 0.00 0.00 178.44 179.67 1v1j h ALA 149 N 0.35 0.76 0.00 1.53 0.00 -0.53 -3.50 119.26 117.87 1v1j h ALA 149 Ca -0.30 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1v1j h ALA 149 Cb 2.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1v1j h ALA 149 CO 0.15 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.50