#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 3.48 0.36 0.54 0.52 -1.26 -5.12 118.95 117.48 1v1j s ARG 2 Ca 0.00 -0.43 0.07 0.00 -0.52 0.00 0.00 55.73 54.85 1v1j s ARG 2 Cb 0.00 -2.93 -0.01 0.00 0.52 0.00 0.00 34.95 32.52 1v1j s ARG 2 CO 0.00 0.50 0.43 -1.54 0.02 0.00 0.00 175.30 174.71 1v1j s SER 3 N -2.96 5.58 0.63 0.23 1.04 -1.26 -4.72 113.70 112.24 1v1j s SER 3 Ca 0.36 -0.40 0.30 0.00 0.48 0.00 0.00 55.95 56.69 1v1j s SER 3 Cb -0.12 -0.94 1.59 0.00 0.10 0.00 0.00 66.02 66.65 1v1j s SER 3 CO 0.28 -0.51 1.95 -0.07 0.98 0.00 0.00 173.24 175.87 1v1j h LEU 4 N 0.96 0.00 0.00 2.42 4.07 -1.87 -1.07 115.31 119.82 1v1j h LEU 4 Ca -0.44 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.45 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 0.53 0.00 -0.80 0.00 -1.08 0.00 0.00 178.44 177.09 1v1j h ALA 5 N 1.46 0.68 0.00 1.53 0.00 -1.93 -3.35 119.26 117.65 1v1j h ALA 5 Ca 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1v1j h ALA 5 Cb 0.82 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1v1j h ALA 5 CO -0.00 0.41 -1.40 0.09 0.00 0.00 0.00 179.25 178.35 1v1j n ASN 6 N -2.95 0.46 -3.59 0.00 3.02 -0.44 -4.98 115.26 106.78 1v1j n ASN 6 Ca -0.01 -0.21 -0.15 0.00 -0.03 0.00 0.00 54.58 54.18 1v1j n ASN 6 Cb 0.67 1.26 -0.07 0.00 -0.61 0.00 0.00 39.78 41.04 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 -3.31 -1.79 0.88 5.41 0.00 -1.00 -4.92 121.76 117.02 1v1j s ALA 7 Ca -0.01 1.76 -0.12 0.00 0.00 0.00 0.00 51.96 53.60 1v1j s ALA 7 Cb 0.14 -0.76 0.12 0.00 0.00 0.00 0.00 23.12 22.62 1v1j s ALA 7 CO 0.85 -0.35 1.10 -1.25 0.00 0.00 0.00 175.76 176.11 1v1j s PRO 8 N -0.23 1.42 -0.10 0.00 0.04 -1.26 -4.37 135.00 130.50 1v1j s PRO 8 Ca -0.04 0.73 -0.21 0.00 0.04 0.00 0.00 61.00 61.52 1v1j s PRO 8 Cb -0.03 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1v1j s PRO 8 CO 0.04 -2.10 0.63 0.42 0.04 0.00 0.00 177.00 176.02 1v1j s ILE 9 N -3.01 5.08 -0.14 0.56 1.01 0.29 -1.13 121.20 123.86 1v1j s ILE 9 Ca 0.63 1.26 -0.22 0.00 0.00 0.00 0.00 60.65 62.32 1v1j s ILE 9 Cb -0.17 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1v1j s ILE 9 CO 0.56 0.25 0.69 -0.32 0.00 0.00 0.00 174.94 176.12 1v1j s MET 10 N 0.93 4.32 -0.31 2.79 -2.45 -0.97 -0.96 119.30 122.65 1v1j s MET 10 Ca 0.33 0.78 -0.02 0.00 -1.25 0.00 0.00 55.69 55.53 1v1j s MET 10 Cb -0.17 -3.52 0.05 0.00 1.25 0.00 0.00 34.83 32.45 1v1j s MET 10 CO 0.15 -0.12 0.03 0.42 1.05 0.00 0.00 175.02 176.54 1v1j s ILE 11 N 1.48 3.09 -0.13 10.11 -1.09 -0.02 -1.25 121.20 133.40 1v1j s ILE 11 Ca 0.34 -1.42 -0.05 0.00 -2.23 0.00 0.00 60.65 57.29 1v1j s ILE 11 Cb -0.17 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 1v1j s ILE 11 CO 0.13 -0.16 0.05 -0.76 -1.23 0.00 0.00 174.94 172.97 1v1j s LEU 12 N 1.26 3.83 -0.06 2.97 1.43 -0.16 -0.75 118.68 127.19 1v1j s LEU 12 Ca -0.04 0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 1v1j s LEU 12 Cb -0.20 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 1v1j s LEU 12 CO -0.01 0.31 -0.19 0.20 0.23 0.00 0.00 176.35 176.89 1v1j s ASN 13 N -0.45 2.42 0.18 2.29 0.01 0.32 -1.09 114.94 118.62 1v1j s ASN 13 Ca 0.09 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 1v1j s ASN 13 Cb -0.12 -0.85 0.00 0.00 0.41 0.00 0.00 41.25 40.69 1v1j s ASN 13 CO 0.02 0.14 0.00 0.61 -1.51 0.00 0.00 177.10 176.36 1v1j n GLY 14 N 3.33 0.52 3.71 0.66 0.00 0.28 -1.49 105.19 112.19 1v1j n GLY 14 Ca -0.19 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 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 0.06 2.12 0.00 1.61 0.04 -0.92 -3.21 135.00 134.70 1v1j s PRO 15 Ca 0.00 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1v1j s PRO 15 Cb 0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1v1j s PRO 15 CO 0.00 -1.90 0.00 0.09 0.04 0.00 0.00 177.00 175.23 1v1j n ASN 16 N -2.54 0.00 0.21 6.66 3.02 -1.26 -4.65 115.26 116.70 1v1j n ASN 16 Ca 0.15 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.84 1v1j n ASN 16 Cb 0.49 -1.95 0.40 0.00 -0.61 0.00 0.00 39.78 38.11 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 -2.27 3.41 3.38 -1.91 -2.05 115.31 115.86 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 0.24 -0.55 0.09 0.00 0.00 178.44 178.22 1v1j h ASN 18 N 0.00 0.00 -0.57 -0.43 -1.07 -1.87 0.69 115.58 112.33 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 0.75 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.00 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 -3.17 3.25 -4.61 6.14 4.77 -0.77 -4.82 117.00 117.78 1v1j n LEU 19 Ca -0.01 -1.59 -0.48 0.00 -0.03 0.00 0.00 56.01 53.90 1v1j n LEU 19 Cb 0.32 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1v1j n LEU 19 CO 0.19 0.80 0.86 -0.11 -1.33 0.00 0.00 177.39 177.79 1v1j n LEU 20 N 1.29 2.12 0.00 2.23 7.94 0.23 -1.83 117.00 128.98 1v1j n LEU 20 Ca 0.20 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.24 1v1j n LEU 20 Cb 0.52 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 43.18 1v1j n LEU 20 CO 0.14 -0.96 0.00 0.61 -1.11 0.00 0.00 177.39 176.07 1v1j n GLY 21 N 2.21 0.62 0.00 -3.96 0.00 -1.03 -4.00 105.19 99.03 1v1j n GLY 21 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -3.55 1.61 6.02 -0.76 -4.76 117.38 113.22 1v1j n GLN 22 Ca 0.00 -0.52 -0.15 0.00 -0.01 0.00 0.00 57.00 56.32 1v1j n GLN 22 Cb 0.00 -0.81 -0.06 0.00 1.02 0.00 0.00 30.24 30.39 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 -0.16 0.88 -1.32 -1.09 3.03 -1.26 -4.98 118.95 114.05 1v1j s ARG 23 Ca 0.00 0.29 -0.12 0.00 2.03 0.00 0.00 55.73 57.93 1v1j s ARG 23 Cb 0.00 0.42 0.01 0.00 -1.03 0.00 0.00 34.95 34.34 1v1j s ARG 23 CO 0.00 -0.26 0.50 1.04 -1.13 0.00 0.00 175.30 175.45 1v1j n GLN 24 N 1.04 -1.77 -0.28 3.89 6.02 -1.26 -4.66 117.38 120.35 1v1j n GLN 24 Ca -0.16 0.30 -0.05 0.00 -0.01 0.00 0.00 57.00 57.08 1v1j n GLN 24 Cb 0.57 -3.87 0.06 0.00 1.02 0.00 0.00 30.24 28.02 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 -2.01 1.06 -0.17 -1.09 0.13 -1.94 0.28 132.00 128.27 1v1j h PRO 25 Ca -0.66 -0.12 0.05 0.00 -0.87 0.00 0.00 66.00 64.40 1v1j h PRO 25 Cb 1.38 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1v1j h PRO 25 CO 0.58 0.78 0.32 0.93 -0.23 0.00 0.00 178.00 180.38 1v1j h GLU 26 N 1.06 0.00 0.00 0.86 3.07 -1.88 2.39 114.58 120.08 1v1j h GLU 26 Ca 0.27 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.68 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 -2.50 -0.89 -1.40 0.00 0.00 179.01 174.18 1v1j n ILE 27 N -3.36 1.53 0.65 3.13 5.41 -0.49 -4.72 119.36 121.52 1v1j n ILE 27 Ca 0.02 -0.41 0.07 0.00 1.00 0.00 0.00 62.75 63.43 1v1j n ILE 27 Cb 0.42 -1.81 -0.08 0.00 -0.71 0.00 0.00 39.64 37.47 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 -4.08 0.00 -0.68 1.39 4.02 0.86 -4.43 117.16 114.24 1v1j n TYR 28 Ca -0.52 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.37 1v1j n TYR 28 Cb 0.90 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.21 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 1.35 -2.85 0.53 2.72 0.00 0.80 -4.73 105.19 103.02 1v1j n GLY 29 Ca 0.03 -1.79 0.05 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.18 2.62 -4.80 1.61 3.41 -1.26 -4.02 113.62 111.00 1v1j n SER 30 Ca 0.00 -1.88 -0.35 0.00 -0.26 0.00 0.00 58.87 56.38 1v1j n SER 30 Cb 0.00 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 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 -0.96 6.94 0.65 4.04 1.01 -1.26 -4.69 116.67 122.39 1v1j s ASP 31 Ca 0.19 1.80 0.02 0.00 0.71 0.00 0.00 52.55 55.27 1v1j s ASP 31 Cb 0.10 -2.56 0.10 0.00 1.01 0.00 0.00 42.92 41.57 1v1j s ASP 31 CO 0.14 -0.36 0.90 0.42 0.21 0.00 0.00 175.17 176.48 1v1j s THR 32 N -1.95 2.27 0.29 -1.27 -4.23 -1.26 -2.45 115.64 107.04 1v1j s THR 32 Ca 0.59 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 60.42 1v1j s THR 32 Cb -0.14 -2.58 0.10 0.00 1.34 0.00 0.00 72.50 71.23 1v1j s THR 32 CO 0.18 0.00 1.77 0.25 -0.54 0.00 0.00 174.62 176.28 1v1j h LEU 33 N -0.23 0.57 -1.01 4.79 5.85 -1.84 -1.84 115.31 121.60 1v1j h LEU 33 Ca -0.36 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 1v1j h LEU 33 Cb 1.28 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1v1j h LEU 33 CO 0.43 0.72 0.29 0.00 -0.34 0.00 0.00 178.44 179.54 1v1j h ALA 34 N 1.34 1.22 -0.53 1.25 0.00 -1.93 -1.20 119.26 119.41 1v1j h ALA 34 Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1v1j h ALA 34 Cb 0.52 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1v1j h ALA 34 CO 0.03 0.58 0.25 -0.44 0.00 0.00 0.00 179.25 179.67 1v1j h ASP 35 N 0.98 0.66 -0.23 0.00 3.32 -1.72 -1.94 116.42 117.49 1v1j h ASP 35 Ca 0.23 -0.06 -0.17 0.00 0.02 0.00 0.00 57.03 57.05 1v1j h ASP 35 Cb 0.16 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1v1j h ASP 35 CO -0.02 0.56 -0.53 0.58 -1.72 0.00 0.00 179.24 178.11 1v1j h VAL 36 N 0.74 1.30 -0.35 -1.35 2.07 -0.88 -2.01 116.25 115.76 1v1j h VAL 36 Ca 0.19 -1.73 0.04 0.00 0.82 0.00 0.00 66.70 66.01 1v1j h VAL 36 Cb 0.08 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1v1j h VAL 36 CO -0.03 0.55 0.13 -0.08 0.02 0.00 0.00 177.57 178.17 1v1j h GLU 37 N 0.49 0.27 -0.44 1.57 4.81 -0.89 0.41 114.58 120.81 1v1j h GLU 37 Ca -0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1v1j h GLU 37 Cb 1.14 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1v1j h GLU 37 CO 0.12 0.18 0.23 0.00 -0.73 0.00 0.00 179.01 178.81 1v1j h ALA 38 N 1.22 1.59 -0.35 2.92 0.00 -1.21 0.32 119.26 123.75 1v1j h ALA 38 Ca 0.16 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1v1j h ALA 38 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1v1j h ALA 38 CO -0.16 0.34 -0.33 -0.07 0.00 0.00 0.00 179.25 179.04 1v1j h LEU 39 N 0.60 0.81 -0.66 0.00 3.38 -0.55 -2.18 115.31 116.71 1v1j h LEU 39 Ca 0.16 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 1v1j h LEU 39 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1v1j h LEU 39 CO -0.03 1.07 -0.52 0.00 0.09 0.00 0.00 178.44 179.05 1v1j h VAL 41 N 0.31 1.20 -0.30 0.00 2.07 -0.25 -1.43 116.25 117.85 1v1j h VAL 41 Ca 0.01 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1v1j h VAL 41 Cb 1.02 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1v1j h VAL 41 CO 0.09 0.20 0.16 0.50 0.02 0.00 0.00 177.57 178.55 1v1j h LYS 42 N 0.20 0.42 -0.67 1.57 3.64 -1.35 -1.18 116.57 119.19 1v1j h LYS 42 Ca 0.07 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1v1j h LYS 42 Cb 0.25 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1v1j h LYS 42 CO -0.00 0.36 0.38 0.00 -2.27 0.00 0.00 179.45 177.92 1v1j h ALA 43 N 1.03 0.86 -0.13 5.00 0.00 -1.26 -2.61 119.26 122.15 1v1j h ALA 43 Ca 0.10 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1v1j h ALA 43 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1v1j h ALA 43 CO -0.02 0.36 -0.46 0.00 0.00 0.00 0.00 179.25 179.14 1v1j h ALA 44 N 1.19 0.97 -0.15 0.00 0.00 -0.97 -2.91 119.26 117.38 1v1j h ALA 44 Ca 0.24 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1v1j h ALA 44 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1v1j h ALA 44 CO -0.04 0.64 -0.39 0.00 0.00 0.00 0.00 179.25 179.46 1v1j h ALA 45 N 1.25 1.06 -0.01 0.00 0.00 -0.96 0.93 119.26 121.54 1v1j h ALA 45 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.52 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 0.59 0.03 0.00 0.00 0.00 0.00 179.25 179.95 1v1j h ALA 46 N 1.31 1.18 -0.02 0.00 0.00 -1.26 -0.95 119.26 119.52 1v1j h ALA 46 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1v1j h ALA 46 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1v1j h ALA 46 CO 0.06 -0.03 -0.00 0.72 0.00 0.00 0.00 179.25 180.00 1v1j n HIS 47 N -3.28 0.00 -0.15 0.00 8.25 -0.39 -4.96 115.22 114.69 1v1j n HIS 47 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1v1j n HIS 47 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 0.96 0.91 2.46 -1.41 0.00 -0.36 -4.95 105.19 102.80 1v1j n GLY 48 Ca 0.10 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.15 3.65 3.31 -0.02 0.00 0.19 -4.55 105.19 105.61 1v1j n GLY 49 Ca 0.00 -2.31 -0.16 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.18 0.49 0.12 2.61 -4.23 -1.26 -3.49 115.64 107.70 1v1j s THR 50 Ca 0.03 -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 0.02 0.00 -0.09 0.68 -0.54 0.00 0.00 174.62 174.69 1v1j s VAL 51 N -3.77 0.99 -0.27 2.29 -7.23 -1.26 -0.55 120.40 110.59 1v1j s VAL 51 Ca 0.38 -1.94 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 1v1j s VAL 51 Cb 0.07 -1.70 0.09 0.00 0.56 0.00 0.00 36.38 35.40 1v1j s VAL 51 CO 0.14 -0.75 0.08 -0.62 -0.31 0.00 0.00 175.10 173.64 1v1j s ASP 52 N -2.99 3.64 -0.23 4.85 -1.08 -0.14 -4.87 116.67 115.86 1v1j s ASP 52 Ca 0.13 -1.34 -0.08 0.00 -0.52 0.00 0.00 52.55 50.74 1v1j s ASP 52 Cb 0.02 -0.74 -0.04 0.00 -1.46 0.00 0.00 42.92 40.70 1v1j s ASP 52 CO -0.01 -0.38 0.10 0.12 0.52 0.00 0.00 175.17 175.52 1v1j s PHE 53 N 1.73 3.20 0.05 -5.34 5.36 -1.26 -0.84 117.98 120.88 1v1j s PHE 53 Ca 0.06 -0.06 0.02 0.00 -0.96 0.00 0.00 56.93 56.00 1v1j s PHE 53 Cb -0.17 -2.20 -0.03 0.00 -0.34 0.00 0.00 43.02 40.28 1v1j s PHE 53 CO -0.21 -0.07 -0.08 1.03 -1.46 0.00 0.00 175.22 174.43 1v1j s ARG 54 N 1.07 0.59 -0.03 10.12 0.52 0.07 -4.96 118.95 126.34 1v1j s ARG 54 Ca 0.05 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.43 1v1j s ARG 54 Cb -0.14 -0.33 0.00 0.00 0.52 0.00 0.00 34.95 35.01 1v1j s ARG 54 CO 0.04 0.05 -0.09 -1.14 0.02 0.00 0.00 175.30 174.18 1v1j s GLN 55 N -1.89 0.99 0.04 3.54 -0.44 -1.26 -0.52 119.66 120.12 1v1j s GLN 55 Ca -0.06 -0.30 -0.08 0.00 -2.50 0.00 0.00 55.36 52.42 1v1j s GLN 55 Cb -0.08 -0.92 -0.00 0.00 -1.64 0.00 0.00 33.01 30.36 1v1j s GLN 55 CO -0.00 0.10 0.15 0.45 0.50 0.00 0.00 175.29 176.48 1v1j s SER 56 N 0.26 0.11 0.00 6.67 0.15 -0.56 -4.96 113.70 115.38 1v1j s SER 56 Ca -0.04 -0.48 0.23 0.00 0.70 0.00 0.00 55.95 56.36 1v1j s SER 56 Cb -0.09 0.27 0.42 0.00 -1.71 0.00 0.00 66.02 64.90 1v1j s SER 56 CO 0.01 -0.56 1.40 0.59 1.20 0.00 0.00 173.24 175.87 1v1j n ASN 57 N 0.61 3.28 -4.24 5.45 3.02 -1.26 -2.16 115.26 119.96 1v1j n ASN 57 Ca -0.18 -1.98 -0.34 0.00 -0.03 0.00 0.00 54.58 52.05 1v1j n ASN 57 Cb 0.59 -0.20 -0.15 0.00 -0.61 0.00 0.00 39.78 39.42 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 -1.60 2.93 0.25 3.10 3.76 -1.26 -4.77 115.29 117.71 1v1j s HIS 58 Ca 0.37 -1.24 -0.03 0.00 -0.15 0.00 0.00 55.06 54.01 1v1j s HIS 58 Cb 0.22 -2.05 0.47 0.00 1.11 0.00 0.00 32.58 32.33 1v1j s HIS 58 CO 0.31 -0.65 1.79 1.49 -0.85 0.00 0.00 174.74 176.83 1v1j h GLU 59 N 8.05 0.71 0.00 1.40 4.81 -2.00 -1.32 114.58 126.23 1v1j h GLU 59 Ca -0.41 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.67 1v1j h GLU 59 Cb 1.14 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 1v1j h GLU 59 CO 0.61 0.47 -0.53 0.78 -0.73 0.00 0.00 179.01 179.60 1v1j h GLY 60 N 0.73 0.00 1.35 1.92 0.00 -1.99 -1.51 103.07 103.57 1v1j h GLY 60 Ca 0.43 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.55 1v1j h GLY 60 CO -0.30 0.00 -0.79 -2.09 0.00 0.00 0.00 176.54 173.37 1v1j h GLU 61 N 0.00 0.63 -0.87 4.80 4.81 -1.71 -1.37 114.58 120.87 1v1j h GLU 61 Ca -0.01 -0.53 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1v1j h GLU 61 Cb 1.02 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 1v1j h GLU 61 CO 0.07 1.15 0.46 -0.07 -0.73 0.00 0.00 179.01 179.89 1v1j h LEU 62 N 0.42 1.09 -0.61 1.64 3.38 -0.91 -0.42 115.31 119.91 1v1j h LEU 62 Ca -0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1v1j h LEU 62 Cb 1.40 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1v1j h LEU 62 CO 0.15 0.88 0.35 0.58 0.09 0.00 0.00 178.44 180.49 1v1j h VAL 63 N 1.22 1.19 -0.35 1.22 2.07 -0.91 -0.52 116.25 120.16 1v1j h VAL 63 Ca 0.30 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1v1j h VAL 63 Cb 0.04 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1v1j h VAL 63 CO -0.05 0.20 0.22 0.44 0.02 0.00 0.00 177.57 178.41 1v1j h ASP 64 N 0.82 0.42 -0.14 0.57 3.32 -0.78 -1.68 116.42 118.96 1v1j h ASP 64 Ca 0.22 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 1v1j h ASP 64 Cb 0.02 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1v1j h ASP 64 CO -0.04 0.32 -0.06 -0.50 -1.72 0.00 0.00 179.24 177.24 1v1j h TRP 65 N 0.47 0.45 -0.76 4.55 6.55 -0.62 -1.85 115.95 124.75 1v1j h TRP 65 Ca 0.13 -0.05 -0.04 0.00 0.95 0.00 0.00 58.89 59.88 1v1j h TRP 65 Cb -0.03 -0.13 -0.03 0.00 -0.86 0.00 0.00 29.16 28.11 1v1j h TRP 65 CO -0.05 0.50 0.33 0.82 -1.05 0.00 0.00 178.44 178.99 1v1j h ILE 66 N 0.41 1.25 -0.39 1.49 2.04 -0.24 -0.21 117.51 121.86 1v1j h ILE 66 Ca 0.09 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 1v1j h ILE 66 Cb 0.37 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1v1j h ILE 66 CO 0.02 0.31 0.06 0.45 0.00 0.00 0.00 178.15 178.99 1v1j h HIS 67 N 1.10 0.60 -0.36 1.37 3.86 -0.58 -2.20 115.15 118.95 1v1j h HIS 67 Ca 0.26 -0.05 -0.14 0.00 -1.16 0.00 0.00 60.37 59.28 1v1j h HIS 67 Cb 0.17 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1v1j h HIS 67 CO 0.02 0.55 -0.32 1.49 0.86 0.00 0.00 177.93 180.52 1v1j h GLU 68 N 0.57 0.80 -0.49 2.45 4.81 -0.52 -2.66 114.58 119.54 1v1j h GLU 68 Ca 0.13 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1v1j h GLU 68 Cb 0.27 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1v1j h GLU 68 CO 0.00 1.00 0.24 0.00 -0.73 0.00 0.00 179.01 179.53 1v1j h ALA 69 N 0.96 1.50 -0.19 2.92 0.00 -0.47 -0.97 119.26 123.01 1v1j h ALA 69 Ca 0.07 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1v1j h ALA 69 Cb 0.86 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1v1j h ALA 69 CO 0.08 0.41 0.14 0.00 0.00 0.00 0.00 179.25 179.87 1v1j h ARG 70 N 0.69 0.00 0.00 0.00 3.08 -1.09 -1.38 114.38 115.68 1v1j h ARG 70 Ca 0.17 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.88 1v1j h ARG 70 Cb 0.07 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 1v1j h ARG 70 CO -0.02 0.00 -2.17 1.28 -1.07 0.00 0.00 179.97 177.98 1v1j n LEU 71 N -4.43 0.58 0.00 3.04 4.77 -0.43 -4.72 117.00 115.82 1v1j n LEU 71 Ca 0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1v1j n LEU 71 Cb 0.28 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1v1j n LEU 71 CO 0.34 0.51 0.23 0.59 -1.33 0.00 0.00 177.39 177.74 1v1j n ASN 72 N -2.90 0.94 -4.41 -1.43 3.02 -0.86 -5.07 115.26 104.54 1v1j n ASN 72 Ca -0.29 -0.97 -0.20 0.00 -0.03 0.00 0.00 54.58 53.09 1v1j n ASN 72 Cb 1.11 0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 40.23 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 1.84 -1.05 3.10 3.76 -0.56 -4.40 115.29 117.93 1v1j s HIS 73 Ca 0.00 -0.95 0.19 0.00 -0.15 0.00 0.00 55.06 54.15 1v1j s HIS 73 Cb 0.00 -1.15 -0.17 0.00 1.11 0.00 0.00 32.58 32.37 1v1j s HIS 73 CO 0.00 -0.01 0.83 0.00 -0.85 0.00 0.00 174.74 174.71 1v1j s GLY 75 N -2.68 -0.35 -0.04 0.00 0.00 -1.26 -4.44 107.32 98.54 1v1j s GLY 75 Ca 0.09 0.54 0.01 0.00 0.00 0.00 0.00 44.72 45.36 1v1j s GLY 75 CO 0.72 3.45 -0.05 -0.42 0.00 0.00 0.00 173.10 176.80 1v1j s ILE 76 N -2.03 0.57 -0.20 0.90 1.01 0.13 -2.29 121.20 119.29 1v1j s ILE 76 Ca 0.23 -0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.68 1v1j s ILE 76 Cb 0.04 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 1v1j s ILE 76 CO -0.05 0.23 0.01 -0.69 0.00 0.00 0.00 174.94 174.44 1v1j s VAL 77 N 0.86 4.03 -0.03 2.92 1.01 -0.38 -0.97 120.40 127.84 1v1j s VAL 77 Ca -0.12 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1v1j s VAL 77 Cb -0.14 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.42 1v1j s VAL 77 CO 0.01 0.42 -0.06 -0.51 0.00 0.00 0.00 175.10 174.96 1v1j s ILE 78 N 1.01 0.56 -0.58 2.22 2.07 0.04 -0.99 121.20 125.54 1v1j s ILE 78 Ca 0.02 -0.19 -0.01 0.00 -1.41 0.00 0.00 60.65 59.06 1v1j s ILE 78 Cb -0.14 -0.54 0.15 0.00 0.13 0.00 0.00 42.46 42.05 1v1j s ILE 78 CO 0.02 0.21 0.38 0.21 -1.91 0.00 0.00 174.94 173.84 1v1j s ASN 79 N 0.54 5.00 0.00 4.50 3.84 -0.25 -0.31 114.94 128.26 1v1j s ASN 79 Ca -0.07 -2.85 0.22 0.00 0.21 0.00 0.00 52.86 50.38 1v1j s ASN 79 Cb -0.11 -1.80 1.24 0.00 -0.55 0.00 0.00 41.25 40.04 1v1j s ASN 79 CO 0.00 -0.34 1.73 -2.65 -2.79 0.00 0.00 177.10 173.05 1v1j n PRO 80 N 3.45 0.52 0.00 0.43 -0.02 -1.26 -0.56 135.00 137.56 1v1j n PRO 80 Ca 0.07 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1v1j n PRO 80 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 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 -1.14 0.00 -0.20 3.55 0.00 -1.26 -2.13 120.51 119.34 1v1j n ALA 81 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.71 1v1j n ALA 81 Cb 0.13 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.33 1.96 0.00 0.00 0.00 -1.93 0.17 119.26 119.13 1v1j h ALA 82 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1v1j h ALA 82 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1v1j h ALA 82 CO 0.00 -0.16 -0.00 1.88 0.00 0.00 0.00 179.25 180.97 1v1j h TYR 83 N 0.55 0.00 -1.01 0.00 0.99 -1.83 -1.34 116.97 114.34 1v1j h TYR 83 Ca 0.38 0.00 0.24 0.00 2.00 0.00 0.00 58.73 61.35 1v1j h TYR 83 Cb 0.71 0.00 -0.12 0.00 1.00 0.00 0.00 36.73 38.32 1v1j h TYR 83 CO -0.00 0.00 0.61 0.77 -0.00 0.00 0.00 178.16 179.54 1v1j h SER 84 N 0.00 0.67 0.32 3.88 0.02 -0.70 -0.38 113.55 117.37 1v1j h SER 84 Ca -0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1v1j h SER 84 Cb 0.16 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1v1j h SER 84 CO 0.00 0.13 -0.53 1.41 -1.14 0.00 0.00 176.83 176.70 1v1j n HIS 85 N -4.84 0.00 0.00 3.45 8.25 -0.51 -1.39 115.22 120.19 1v1j n HIS 85 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1v1j n HIS 85 Cb 0.73 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.68 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 -1.21 0.00 -3.21 1.59 -2.24 -0.94 -4.85 114.28 103.42 1v1j n THR 86 Ca 0.07 -0.09 -0.46 0.00 -2.27 0.00 0.00 64.05 61.30 1v1j n THR 86 Cb 0.35 0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.83 6.36 0.52 3.42 0.15 -0.19 -4.77 113.70 118.36 1v1j s SER 87 Ca 0.00 -1.90 0.31 0.00 0.70 0.00 0.00 55.95 55.06 1v1j s SER 87 Cb 0.00 -2.26 1.30 0.00 -1.71 0.00 0.00 66.02 63.35 1v1j s SER 87 CO 0.00 -0.90 1.97 0.58 1.20 0.00 0.00 173.24 176.09 1v1j h VAL 88 N 5.63 0.23 -0.46 4.45 2.07 -1.95 -3.14 116.25 123.09 1v1j h VAL 88 Ca -0.16 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 1v1j h VAL 88 Cb 1.07 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1v1j h VAL 88 CO 1.00 0.08 0.01 0.00 0.02 0.00 0.00 177.57 178.68 1v1j h ALA 89 N 1.92 1.16 0.01 1.67 0.00 -1.97 -1.24 119.26 120.81 1v1j h ALA 89 Ca -0.00 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.45 1v1j h ALA 89 Cb 0.53 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1v1j h ALA 89 CO 0.01 0.55 -0.90 0.82 0.00 0.00 0.00 179.25 179.72 1v1j h ILE 90 N 0.70 1.47 -0.13 0.00 2.04 -1.90 -2.03 117.51 117.65 1v1j h ILE 90 Ca 0.14 -2.58 -0.00 0.00 1.00 0.00 0.00 64.86 63.42 1v1j h ILE 90 Cb 0.42 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 1v1j h ILE 90 CO 0.02 0.76 0.07 0.25 0.00 0.00 0.00 178.15 179.24 1v1j h LEU 91 N 0.14 0.16 -1.50 1.44 5.85 -1.42 -0.92 115.31 119.07 1v1j h LEU 91 Ca -0.06 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1v1j h LEU 91 Cb 1.54 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 1v1j h LEU 91 CO 0.14 0.20 -0.26 0.44 -0.34 0.00 0.00 178.44 178.63 1v1j h ASP 92 N 0.11 0.00 -0.16 1.25 3.32 -1.15 0.14 116.42 119.93 1v1j h ASP 92 Ca 0.05 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1v1j h ASP 92 Cb 0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1v1j h ASP 92 CO -0.01 0.26 -0.24 0.00 -1.72 0.00 0.00 179.24 177.53 1v1j h ALA 93 N 1.74 0.24 0.00 3.45 0.00 -0.93 -2.71 119.26 121.06 1v1j h ALA 93 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1v1j h ALA 93 Cb 0.51 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1v1j h ALA 93 CO 0.03 0.21 -0.09 -0.07 0.00 0.00 0.00 179.25 179.34 1v1j h LEU 94 N 0.07 0.00 -1.46 0.00 3.38 -0.75 -0.33 115.31 116.22 1v1j h LEU 94 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1v1j h LEU 94 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1v1j h LEU 94 CO 0.06 0.09 0.00 0.78 0.09 0.00 0.00 178.44 179.45 1v1j h ASN 95 N 0.00 0.00 1.85 -0.43 -0.26 -0.41 -1.82 115.58 114.51 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 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 1v1j h ASN 95 CO 0.01 0.00 -0.00 0.71 -1.06 0.00 0.00 177.43 177.09 1v1j h THR 96 N 0.00 0.00 0.00 2.81 1.35 -0.85 -3.37 112.91 112.85 1v1j h THR 96 Ca 0.00 -0.85 -0.64 0.00 -0.55 0.00 0.00 66.41 64.37 1v1j h THR 96 Cb 0.43 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1v1j h THR 96 CO 0.00 0.00 3.12 0.00 -0.25 0.00 0.00 175.52 178.39 1v1j s ASP 98 N 3.27 6.46 0.00 0.00 1.01 -1.26 -2.24 116.67 123.90 1v1j s ASP 98 Ca 0.54 2.69 0.00 0.00 0.71 0.00 0.00 52.55 56.49 1v1j s ASP 98 Cb 0.15 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.52 1v1j s ASP 98 CO -0.04 -1.01 0.00 0.61 0.21 0.00 0.00 175.17 174.95 1v1j n GLY 99 N 4.31 2.12 3.70 0.21 0.00 -1.26 -4.97 105.19 109.29 1v1j n GLY 99 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 4.29 0.14 0.99 2.96 -0.95 -4.97 118.68 121.14 1v1j s LEU 100 Ca 0.00 1.49 -0.31 0.00 -0.22 0.00 0.00 54.13 55.10 1v1j s LEU 100 Cb 0.00 -3.47 -0.08 0.00 0.50 0.00 0.00 46.19 43.14 1v1j s LEU 100 CO 0.00 -0.34 1.39 -2.84 -1.32 0.00 0.00 176.35 173.24 1v1j s PRO 101 N 1.54 4.32 -0.08 0.98 0.02 -1.26 -4.92 135.00 135.60 1v1j s PRO 101 Ca 0.47 2.10 0.03 0.00 0.02 0.00 0.00 61.00 63.63 1v1j s PRO 101 Cb -0.19 -3.22 0.01 0.00 0.02 0.00 0.00 34.50 31.12 1v1j s PRO 101 CO 0.21 -0.41 -0.18 0.08 -0.33 0.00 0.00 177.00 176.37 1v1j s VAL 102 N 0.82 1.58 -0.10 3.83 1.01 -1.26 -0.69 120.40 125.60 1v1j s VAL 102 Ca 0.63 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1v1j s VAL 102 Cb -0.38 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1v1j s VAL 102 CO 0.33 0.45 -0.20 -0.69 0.00 0.00 0.00 175.10 174.99 1v1j s VAL 103 N 0.46 1.80 -0.09 2.92 1.01 -0.14 -0.85 120.40 125.51 1v1j s VAL 103 Ca -0.16 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 1v1j s VAL 103 Cb -0.16 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1v1j s VAL 103 CO 0.06 0.50 0.53 -0.70 0.00 0.00 0.00 175.10 175.49 1v1j s GLU 104 N 0.54 4.33 -0.03 2.72 2.12 -0.22 -0.78 118.70 127.38 1v1j s GLU 104 Ca -0.15 0.56 0.06 0.00 0.36 0.00 0.00 54.97 55.80 1v1j s GLU 104 Cb -0.17 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.80 1v1j s GLU 104 CO 0.05 0.21 -0.22 0.08 -0.54 0.00 0.00 175.26 174.84 1v1j s VAL 105 N 0.43 1.73 -0.06 3.70 1.01 0.57 -0.64 120.40 127.15 1v1j s VAL 105 Ca 0.28 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1v1j s VAL 105 Cb -0.16 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1v1j s VAL 105 CO 0.13 0.49 -0.11 -1.00 0.00 0.00 0.00 175.10 174.61 1v1j s HIS 106 N -0.36 1.30 0.00 5.22 3.76 0.34 -4.07 115.29 121.48 1v1j s HIS 106 Ca 0.04 -0.45 -0.25 0.00 -0.15 0.00 0.00 55.06 54.26 1v1j s HIS 106 Cb -0.10 -0.97 -0.19 0.00 1.11 0.00 0.00 32.58 32.44 1v1j s HIS 106 CO 0.00 -0.24 1.36 0.82 -0.85 0.00 0.00 174.74 175.83 1v1j h ILE 107 N 5.91 1.32 -3.66 0.60 2.04 -1.85 -1.13 117.51 120.74 1v1j h ILE 107 Ca -0.32 -0.95 -0.48 0.00 1.00 0.00 0.00 64.86 64.10 1v1j h ILE 107 Cb 1.18 1.93 0.05 0.00 -0.74 0.00 0.00 36.82 39.24 1v1j h ILE 107 CO 0.48 0.25 0.17 -0.94 0.00 0.00 0.00 178.15 178.11 1v1j s SER 108 N -5.64 5.74 -0.73 1.72 1.04 -1.26 -2.37 113.70 112.19 1v1j s SER 108 Ca -0.15 0.78 -0.18 0.00 0.48 0.00 0.00 55.95 56.88 1v1j s SER 108 Cb 0.03 -1.83 0.14 0.00 0.10 0.00 0.00 66.02 64.45 1v1j s SER 108 CO 0.68 -0.97 0.83 0.21 0.98 0.00 0.00 173.24 174.97 1v1j s ASN 109 N -4.26 6.43 0.67 7.02 3.84 -1.26 -2.21 114.94 125.16 1v1j s ASN 109 Ca 0.53 -1.87 0.45 0.00 0.21 0.00 0.00 52.86 52.18 1v1j s ASN 109 Cb -0.10 -2.31 2.41 0.00 -0.55 0.00 0.00 41.25 40.70 1v1j s ASN 109 CO 0.45 -0.99 2.36 0.16 -2.79 0.00 0.00 177.10 176.30 1v1j h ILE 110 N 5.64 0.00 0.00 -5.21 3.07 -1.92 -1.96 117.51 117.13 1v1j h ILE 110 Ca -0.09 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.30 1v1j h ILE 110 Cb 1.06 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.63 1v1j h ILE 110 CO 1.03 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.54 1v1j n HIS 111 N -3.08 0.00 0.10 0.16 8.25 -1.26 -2.03 115.22 117.36 1v1j n HIS 111 Ca -0.03 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.52 1v1j n HIS 111 Cb 0.08 -0.48 0.19 0.00 1.12 0.00 0.00 29.99 30.90 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 -1.48 2.33 0.00 -0.41 6.02 -0.74 -4.97 117.38 118.14 1v1j n GLN 112 Ca 0.06 -2.10 0.00 0.00 -0.01 0.00 0.00 57.00 54.95 1v1j n GLN 112 Cb 0.27 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.12 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 1.11 3.59 -1.67 -1.09 1.74 -0.86 -5.06 116.66 114.42 1v1j n ARG 113 Ca 0.16 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.85 1v1j n ARG 113 Cb 0.51 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.99 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 1.37 -0.24 5.56 4.71 -1.26 -4.86 120.64 125.91 1v1j n GLU 114 Ca 0.00 0.51 0.17 0.00 -0.01 0.00 0.00 57.16 57.83 1v1j n GLU 114 Cb 0.00 -2.31 0.48 0.00 -1.01 0.00 0.00 31.44 28.59 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 1.18 0.46 0.00 3.49 0.11 -1.96 -0.88 132.00 134.40 1v1j h PRO 115 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1v1j h PRO 115 Cb 1.33 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1v1j h PRO 115 CO 0.55 0.31 0.00 0.27 -0.21 0.00 0.00 178.00 178.92 1v1j h PHE 116 N 0.48 0.00 0.00 0.65 -5.15 -1.97 -1.77 116.94 109.18 1v1j h PHE 116 Ca 0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.23 1v1j h PHE 116 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.21 1v1j h PHE 116 CO -0.00 0.00 -0.25 0.54 -2.00 0.00 0.00 178.31 176.60 1v1j n ARG 117 N -2.82 0.05 0.25 6.09 1.74 -0.34 -3.93 116.66 117.71 1v1j n ARG 117 Ca 0.01 0.03 0.10 0.00 -0.77 0.00 0.00 57.85 57.22 1v1j n ARG 117 Cb 0.27 -1.55 0.67 0.00 -1.02 0.00 0.00 32.46 30.83 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 0.00 0.00 -3.34 -1.55 3.86 -1.34 -3.44 115.15 109.34 1v1j h HIS 118 Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 1v1j h HIS 118 Cb 0.55 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 28.86 1v1j h HIS 118 CO 0.00 0.12 -0.63 -1.58 0.86 0.00 0.00 177.93 176.70 1v1j s HIS 119 N -4.50 3.14 -0.07 2.45 5.65 -1.25 -4.94 115.29 115.76 1v1j s HIS 119 Ca -0.04 0.13 0.02 0.00 0.25 0.00 0.00 55.06 55.42 1v1j s HIS 119 Cb 0.15 -1.81 0.01 0.00 -1.18 0.00 0.00 32.58 29.75 1v1j s HIS 119 CO 0.63 0.40 -0.12 0.45 -0.65 0.00 0.00 174.74 175.45 1v1j s SER 120 N -0.71 1.83 0.22 9.88 0.15 -1.26 -4.20 113.70 119.61 1v1j s SER 120 Ca 0.11 -0.30 -0.03 0.00 0.70 0.00 0.00 55.95 56.43 1v1j s SER 120 Cb -0.12 -0.83 0.20 0.00 -1.71 0.00 0.00 66.02 63.56 1v1j s SER 120 CO 0.02 0.01 1.61 1.88 1.20 0.00 0.00 173.24 177.96 1v1j h TYR 121 N 7.13 0.78 -0.08 3.44 -1.99 -1.55 -2.69 116.97 122.00 1v1j h TYR 121 Ca -0.31 -0.20 -0.03 0.00 2.00 0.00 0.00 58.73 60.19 1v1j h TYR 121 Cb 1.18 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.73 1v1j h TYR 121 CO 0.49 0.91 -0.07 0.28 -0.00 0.00 0.00 178.16 179.76 1v1j h VAL 122 N 0.57 1.11 0.00 -2.88 2.07 -1.88 -2.70 116.25 112.53 1v1j h VAL 122 Ca 0.06 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1v1j h VAL 122 Cb 0.82 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1v1j h VAL 122 CO 0.07 0.14 -0.03 0.28 0.02 0.00 0.00 177.57 178.05 1v1j h SER 123 N 0.12 0.00 0.18 0.57 0.02 -1.85 -0.03 113.55 112.57 1v1j h SER 123 Ca 0.03 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1v1j h SER 123 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1v1j h SER 123 CO 0.01 0.03 -0.24 1.56 -1.14 0.00 0.00 176.83 177.05 1v1j h GLN 124 N 0.00 0.12 0.00 3.45 4.20 -1.62 -3.29 115.11 117.96 1v1j h GLN 124 Ca -0.00 -0.03 -0.38 0.00 0.06 0.00 0.00 58.65 58.30 1v1j h GLN 124 Cb 0.13 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.82 1v1j h GLN 124 CO 0.00 0.36 -2.41 -2.13 -0.67 0.00 0.00 178.83 173.98 1v1j n ARG 125 N -4.21 0.67 -1.66 1.46 3.00 -0.55 -5.01 116.66 110.36 1v1j n ARG 125 Ca -0.02 0.09 -0.42 0.00 -0.00 0.00 0.00 57.85 57.50 1v1j n ARG 125 Cb 0.32 -1.53 0.00 0.00 0.00 0.00 0.00 32.46 31.26 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 -3.02 0.80 -0.12 5.13 0.00 -0.13 -4.89 120.51 118.28 1v1j n ALA 126 Ca -0.39 0.29 -0.12 0.00 0.00 0.00 0.00 53.44 53.22 1v1j n ALA 126 Cb 1.07 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 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 2.01 0.75 -4.77 0.00 3.32 -1.35 -3.46 116.42 112.93 1v1j h ASP 127 Ca -0.46 -0.40 -0.26 0.00 0.02 0.00 0.00 57.03 55.94 1v1j h ASP 127 Cb 1.31 -0.21 -0.20 0.00 0.22 0.00 0.00 39.33 40.45 1v1j h ASP 127 CO 0.60 0.98 -0.73 -0.83 -1.72 0.00 0.00 179.24 177.54 1v1j s GLY 128 N -3.53 0.52 -0.05 2.75 0.00 -1.18 -5.05 107.32 100.77 1v1j s GLY 128 Ca -0.12 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 43.78 1v1j s GLY 128 CO 0.82 -0.89 -0.08 0.14 0.00 0.00 0.00 173.10 173.08 1v1j s VAL 129 N -1.69 0.82 -0.12 1.40 1.01 -1.26 -1.06 120.40 119.50 1v1j s VAL 129 Ca -0.08 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1v1j s VAL 129 Cb -0.08 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.53 1v1j s VAL 129 CO -0.00 0.28 -0.17 -0.69 0.00 0.00 0.00 175.10 174.52 1v1j s VAL 130 N 0.74 1.63 -0.02 2.92 1.01 0.19 -4.97 120.40 121.89 1v1j s VAL 130 Ca -0.13 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1v1j s VAL 130 Cb -0.15 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1v1j s VAL 130 CO 0.02 0.47 -0.07 0.00 0.00 0.00 0.00 175.10 175.52 1v1j s ALA 131 N 0.99 0.66 -0.26 5.51 0.00 -1.26 -0.51 121.76 126.89 1v1j s ALA 131 Ca -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1v1j s ALA 131 Cb -0.15 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1v1j s ALA 131 CO -0.02 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.26 1v1j n GLY 132 N 3.19 0.58 1.70 0.00 0.00 -0.43 -4.77 105.19 105.46 1v1j n GLY 132 Ca -0.17 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 0.09 0.94 0.25 0.00 0.00 -1.00 -2.80 105.19 102.67 1v1j n GLY 134 Ca 0.29 -0.76 0.17 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.29 116.25 112.17 1v1j h VAL 135 Ca 0.00 -0.29 -0.00 0.00 -1.23 0.00 0.00 66.70 65.18 1v1j h VAL 135 Cb 0.00 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1v1j h VAL 135 CO 0.00 0.00 -0.01 -0.61 -1.23 0.00 0.00 177.57 175.72 1v1j h GLN 136 N 0.00 0.00 -0.24 5.19 4.15 -1.94 -1.06 115.11 121.21 1v1j h GLN 136 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1v1j h GLN 136 Cb 0.31 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 1v1j h GLN 136 CO 0.00 0.01 0.16 0.78 -1.93 0.00 0.00 178.83 177.84 1v1j h GLY 137 N 0.04 0.30 1.58 2.39 0.00 -1.30 0.55 103.07 106.63 1v1j h GLY 137 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1v1j h GLY 137 CO 0.00 0.10 0.27 -0.97 0.00 0.00 0.00 176.54 175.94 1v1j h TYR 138 N 0.28 0.54 -0.23 5.60 -1.99 -1.40 -0.43 116.97 119.34 1v1j h TYR 138 Ca 0.09 0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.74 1v1j h TYR 138 Cb 0.02 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 38.56 1v1j h TYR 138 CO -0.00 0.35 -0.20 0.28 -0.00 0.00 0.00 178.16 178.59 1v1j h VAL 139 N 0.58 1.32 -0.69 -2.88 2.07 -1.01 -1.45 116.25 114.19 1v1j h VAL 139 Ca 0.16 -1.35 0.04 0.00 0.82 0.00 0.00 66.70 66.37 1v1j h VAL 139 Cb -0.04 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1v1j h VAL 139 CO -0.03 0.42 0.42 -0.26 0.02 0.00 0.00 177.57 178.13 1v1j h PHE 140 N 0.25 0.77 -0.38 1.57 0.05 -1.22 0.21 116.94 118.19 1v1j h PHE 140 Ca 0.04 0.02 0.05 0.00 3.82 0.00 0.00 57.97 61.90 1v1j h PHE 140 Cb 0.75 -0.25 -0.05 0.00 2.00 0.00 0.00 35.95 38.41 1v1j h PHE 140 CO 0.07 0.41 0.11 0.78 -0.18 0.00 0.00 178.31 179.51 1v1j h GLY 141 N 0.79 0.47 1.06 -1.45 0.00 -0.89 -0.34 103.07 102.71 1v1j h GLY 141 Ca 0.29 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.48 1v1j h GLY 141 CO -0.14 0.00 0.06 -2.08 0.00 0.00 0.00 176.54 174.39 1v1j h VAL 142 N 0.26 1.26 -0.71 4.60 2.07 -0.09 -1.99 116.25 121.64 1v1j h VAL 142 Ca 0.18 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1v1j h VAL 142 Cb 0.18 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1v1j h VAL 142 CO -0.20 0.39 0.35 -0.08 0.02 0.00 0.00 177.57 178.05 1v1j h GLU 143 N 0.94 1.00 -0.23 1.57 4.57 -0.36 -0.91 114.58 121.16 1v1j h GLU 143 Ca 0.18 -0.13 -0.16 0.00 -1.18 0.00 0.00 59.36 58.07 1v1j h GLU 143 Cb 0.48 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1v1j h GLU 143 CO 0.02 0.76 -0.52 -0.09 -1.18 0.00 0.00 179.01 178.00 1v1j h ARG 144 N 1.00 0.66 -0.72 1.92 9.65 -0.62 -2.58 114.38 123.70 1v1j h ARG 144 Ca 0.25 -0.40 -0.04 0.00 -1.10 0.00 0.00 59.98 58.69 1v1j h ARG 144 Cb 0.08 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.67 1v1j h ARG 144 CO -0.03 1.02 0.30 0.82 2.80 0.00 0.00 179.97 184.87 1v1j h ILE 145 N 0.52 1.24 -0.72 1.20 1.08 -0.97 -0.56 117.51 119.30 1v1j h ILE 145 Ca 0.02 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 1v1j h ILE 145 Cb 1.08 0.37 -0.04 0.00 -3.07 0.00 0.00 36.82 35.16 1v1j h ILE 145 CO 0.10 0.30 0.45 0.00 -0.69 0.00 0.00 178.15 178.32 1v1j h ALA 146 N 1.30 1.45 0.00 1.87 0.00 -1.05 0.34 119.26 123.17 1v1j h ALA 146 Ca 0.24 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1v1j h ALA 146 Cb 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1v1j h ALA 146 CO -0.02 0.50 -0.70 0.00 0.00 0.00 0.00 179.25 179.02 1v1j h ALA 147 N 1.52 0.59 0.10 0.00 0.00 -0.90 -1.85 119.26 118.71 1v1j h ALA 147 Ca 0.26 -0.61 -0.31 0.00 0.00 0.00 0.00 54.91 54.25 1v1j h ALA 147 Cb -0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1v1j h ALA 147 CO -0.05 0.81 -1.66 -0.07 0.00 0.00 0.00 179.25 178.28 1v1j h LEU 148 N 0.00 0.32 -0.47 0.00 3.38 -0.63 -3.32 115.31 114.60 1v1j h LEU 148 Ca -0.02 -0.52 -0.16 0.00 0.09 0.00 0.00 57.88 57.26 1v1j h LEU 148 Cb 1.50 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1v1j h LEU 148 CO 0.08 1.45 -0.52 0.00 0.09 0.00 0.00 178.44 179.54 1v1j h ALA 149 N 0.50 0.64 0.00 1.53 0.00 -0.41 -3.50 119.26 118.03 1v1j h ALA 149 Ca -0.29 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.12 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 0.13 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.47