#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 0.34 0.54 0.52 -1.26 -5.11 118.95 117.46 1v1j s ARG 2 Ca 0.00 -0.46 0.07 0.00 -0.52 0.00 0.00 55.73 54.82 1v1j s ARG 2 Cb 0.00 -2.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.53 1v1j s ARG 2 CO 0.00 0.47 0.34 -1.54 0.02 0.00 0.00 175.30 174.60 1v1j s SER 3 N -3.13 5.42 0.66 0.23 1.04 -1.26 -4.75 113.70 111.92 1v1j s SER 3 Ca 0.36 -0.45 0.28 0.00 0.48 0.00 0.00 55.95 56.63 1v1j s SER 3 Cb -0.11 -0.99 1.54 0.00 0.10 0.00 0.00 66.02 66.56 1v1j s SER 3 CO 0.29 -0.40 1.86 -0.07 0.98 0.00 0.00 173.24 175.90 1v1j h LEU 4 N 1.14 0.00 0.00 2.42 4.07 -1.87 -0.07 115.31 121.00 1v1j h LEU 4 Ca -0.45 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.35 1v1j h LEU 4 Cb 1.26 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.97 1v1j h LEU 4 CO 0.57 0.00 -1.38 0.00 -1.08 0.00 0.00 178.44 176.55 1v1j h ALA 5 N 1.26 0.66 0.00 1.53 0.00 -1.93 -3.37 119.26 117.41 1v1j h ALA 5 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1v1j h ALA 5 Cb 0.74 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1v1j h ALA 5 CO 0.00 0.92 -1.06 0.09 0.00 0.00 0.00 179.25 179.21 1v1j n ASN 6 N -2.91 0.60 -3.58 0.00 3.02 -0.06 -4.97 115.26 107.36 1v1j n ASN 6 Ca -0.09 -0.16 -0.14 0.00 -0.03 0.00 0.00 54.58 54.16 1v1j n ASN 6 Cb 0.84 0.81 -0.06 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 -3.22 -1.84 0.79 5.41 0.00 -1.08 -4.94 121.76 116.89 1v1j s ALA 7 Ca 0.03 1.68 -0.11 0.00 0.00 0.00 0.00 51.96 53.56 1v1j s ALA 7 Cb 0.14 -0.73 0.07 0.00 0.00 0.00 0.00 23.12 22.59 1v1j s ALA 7 CO 0.80 -0.33 1.09 -1.25 0.00 0.00 0.00 175.76 176.08 1v1j s PRO 8 N -0.45 2.12 -0.15 0.00 0.04 -1.26 -4.36 135.00 130.94 1v1j s PRO 8 Ca -0.04 0.75 -0.20 0.00 0.04 0.00 0.00 61.00 61.55 1v1j s PRO 8 Cb -0.02 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1v1j s PRO 8 CO 0.03 -1.62 0.57 0.42 0.04 0.00 0.00 177.00 176.44 1v1j s ILE 9 N -3.09 5.10 -0.09 0.56 1.01 0.37 -1.24 121.20 123.82 1v1j s ILE 9 Ca 0.61 1.11 -0.26 0.00 0.00 0.00 0.00 60.65 62.11 1v1j s ILE 9 Cb -0.15 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1v1j s ILE 9 CO 0.55 0.22 0.81 -0.32 0.00 0.00 0.00 174.94 176.19 1v1j s MET 10 N 1.24 4.42 -0.29 2.79 -2.45 -0.92 -0.94 119.30 123.15 1v1j s MET 10 Ca 0.28 1.05 -0.03 0.00 -1.25 0.00 0.00 55.69 55.75 1v1j s MET 10 Cb -0.16 -3.49 0.04 0.00 1.25 0.00 0.00 34.83 32.47 1v1j s MET 10 CO 0.11 -0.10 -0.00 0.42 1.05 0.00 0.00 175.02 176.51 1v1j s ILE 11 N 1.32 3.11 -0.13 10.11 -1.09 0.24 -1.06 121.20 133.70 1v1j s ILE 11 Ca 0.41 -1.19 -0.04 0.00 -2.23 0.00 0.00 60.65 57.60 1v1j s ILE 11 Cb -0.18 -2.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.96 1v1j s ILE 11 CO 0.18 -0.00 0.03 -0.76 -1.23 0.00 0.00 174.94 173.16 1v1j s LEU 12 N 1.31 3.70 -0.08 2.97 1.43 0.18 -0.98 118.68 127.21 1v1j s LEU 12 Ca -0.03 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1v1j s LEU 12 Cb -0.19 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.16 1v1j s LEU 12 CO -0.01 0.30 -0.18 0.20 0.23 0.00 0.00 176.35 176.89 1v1j s ASN 13 N -0.39 2.39 0.50 2.29 0.01 0.28 -1.26 114.94 118.75 1v1j s ASN 13 Ca 0.08 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 51.81 1v1j s ASN 13 Cb -0.12 -1.07 0.00 0.00 0.41 0.00 0.00 41.25 40.47 1v1j s ASN 13 CO 0.02 0.10 0.00 0.61 -1.51 0.00 0.00 177.10 176.32 1v1j n GLY 14 N 3.64 -0.20 3.66 0.66 0.00 0.11 -1.26 105.19 111.79 1v1j n GLY 14 Ca -0.21 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 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 0.80 -0.39 1.61 -0.04 -1.00 -3.15 135.00 132.15 1v1j n PRO 15 Ca 0.00 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1v1j n PRO 15 Cb 0.00 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 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 -1.60 0.00 0.21 3.54 3.02 -1.26 -4.58 115.26 114.59 1v1j n ASN 16 Ca 0.14 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.83 1v1j n ASN 16 Cb 0.48 -1.32 0.42 0.00 -0.61 0.00 0.00 39.78 38.75 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 -2.40 3.41 3.38 -1.92 -1.98 115.31 115.81 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 0.19 -0.55 0.09 0.00 0.00 178.44 178.17 1v1j h ASN 18 N 0.00 0.00 -0.68 -0.43 -1.07 -1.88 -1.54 115.58 109.99 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 0.72 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.97 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 -3.22 3.73 -4.62 6.14 4.77 -0.74 -4.81 117.00 118.24 1v1j n LEU 19 Ca -0.01 -1.87 -0.46 0.00 -0.03 0.00 0.00 56.01 53.64 1v1j n LEU 19 Cb 0.27 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 1v1j n LEU 19 CO 0.20 0.90 0.82 -0.11 -1.33 0.00 0.00 177.39 177.87 1v1j n LEU 20 N 1.46 2.29 0.00 2.23 7.94 -0.58 -1.99 117.00 128.35 1v1j n LEU 20 Ca 0.23 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.28 1v1j n LEU 20 Cb 0.60 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.23 1v1j n LEU 20 CO 0.16 -0.96 0.00 0.61 -1.11 0.00 0.00 177.39 176.09 1v1j n GLY 21 N 1.88 0.56 0.00 -3.96 0.00 -1.12 -4.08 105.19 98.47 1v1j n GLY 21 Ca 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.80 -0.21 -3.54 1.61 6.02 -0.84 -4.77 117.38 112.84 1v1j n GLN 22 Ca 0.00 -0.44 -0.16 0.00 -0.01 0.00 0.00 57.00 56.39 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 -0.10 0.93 -1.32 -1.09 3.03 -1.26 -4.98 118.95 114.16 1v1j s ARG 23 Ca 0.00 0.30 -0.13 0.00 2.03 0.00 0.00 55.73 57.94 1v1j s ARG 23 Cb 0.00 0.44 0.01 0.00 -1.03 0.00 0.00 34.95 34.37 1v1j s ARG 23 CO 0.00 -0.28 0.50 1.04 -1.13 0.00 0.00 175.30 175.43 1v1j n GLN 24 N 1.05 -1.74 -0.30 3.89 6.02 -1.26 -4.66 117.38 120.37 1v1j n GLN 24 Ca -0.17 0.30 -0.04 0.00 -0.01 0.00 0.00 57.00 57.07 1v1j n GLN 24 Cb 0.57 -3.85 0.07 0.00 1.02 0.00 0.00 30.24 28.05 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 1.11 -0.14 -1.09 0.13 -1.94 0.22 132.00 128.28 1v1j h PRO 25 Ca -0.66 -0.11 0.04 0.00 -0.87 0.00 0.00 66.00 64.40 1v1j h PRO 25 Cb 1.38 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1v1j h PRO 25 CO 0.58 0.79 0.28 0.93 -0.23 0.00 0.00 178.00 180.35 1v1j h GLU 26 N 1.11 0.00 0.00 0.86 3.07 -1.88 1.79 114.58 119.53 1v1j h GLU 26 Ca 0.29 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.71 1v1j h GLU 26 Cb -0.02 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.82 1v1j h GLU 26 CO -0.05 0.00 -2.40 -0.89 -1.40 0.00 0.00 179.01 174.27 1v1j n ILE 27 N -3.35 1.53 0.72 3.13 5.41 -0.42 -4.72 119.36 121.65 1v1j n ILE 27 Ca 0.01 -0.35 0.07 0.00 1.00 0.00 0.00 62.75 63.48 1v1j n ILE 27 Cb 0.38 -1.89 -0.08 0.00 -0.71 0.00 0.00 39.64 37.34 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 -4.25 0.00 -0.55 1.39 4.02 0.65 -4.47 117.16 113.94 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 0.87 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.19 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 -2.92 0.58 2.72 0.00 0.61 -4.71 105.19 102.81 1v1j n GLY 29 Ca 0.03 -1.79 0.05 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.26 2.74 -4.82 1.61 3.41 -1.26 -3.97 113.62 111.07 1v1j n SER 30 Ca 0.00 -1.92 -0.34 0.00 -0.26 0.00 0.00 58.87 56.35 1v1j n SER 30 Cb 0.00 -0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 63.69 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 -0.98 6.99 0.64 4.04 1.01 -1.26 -4.71 116.67 122.40 1v1j s ASP 31 Ca 0.21 1.59 0.02 0.00 0.71 0.00 0.00 52.55 55.07 1v1j s ASP 31 Cb 0.11 -2.49 0.09 0.00 1.01 0.00 0.00 42.92 41.63 1v1j s ASP 31 CO 0.15 -0.22 0.88 0.42 0.21 0.00 0.00 175.17 176.61 1v1j s THR 32 N -1.95 2.34 0.29 -1.27 -4.23 -1.26 -2.81 115.64 106.74 1v1j s THR 32 Ca 0.56 -0.68 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 1v1j s THR 32 Cb -0.12 -2.65 0.11 0.00 1.34 0.00 0.00 72.50 71.18 1v1j s THR 32 CO 0.17 0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.29 1v1j h LEU 33 N -0.20 0.59 -1.32 4.79 5.85 -1.83 -0.87 115.31 122.32 1v1j h LEU 33 Ca -0.37 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 1v1j h LEU 33 Cb 1.28 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1v1j h LEU 33 CO 0.44 0.71 0.27 0.00 -0.34 0.00 0.00 178.44 179.53 1v1j h ALA 34 N 1.35 1.48 -0.60 1.25 0.00 -1.94 -0.71 119.26 120.10 1v1j h ALA 34 Ca 0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1v1j h ALA 34 Cb 0.47 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1v1j h ALA 34 CO 0.03 0.42 0.09 -0.44 0.00 0.00 0.00 179.25 179.35 1v1j h ASP 35 N 0.74 0.93 -0.07 0.00 3.32 -1.55 -1.83 116.42 117.96 1v1j h ASP 35 Ca 0.19 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1v1j h ASP 35 Cb 0.05 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 1v1j h ASP 35 CO -0.03 0.94 -0.00 0.58 -1.72 0.00 0.00 179.24 179.00 1v1j h VAL 36 N 0.92 1.26 -0.77 -1.35 2.07 -0.84 -1.33 116.25 116.23 1v1j h VAL 36 Ca 0.19 -0.82 0.09 0.00 0.82 0.00 0.00 66.70 66.97 1v1j h VAL 36 Cb 0.41 1.69 -0.07 0.00 -1.52 0.00 0.00 31.29 31.79 1v1j h VAL 36 CO 0.01 0.23 0.42 -0.08 0.02 0.00 0.00 177.57 178.17 1v1j h GLU 37 N -0.18 0.70 -0.43 1.57 4.81 -0.90 -0.10 114.58 120.05 1v1j h GLU 37 Ca 0.02 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1v1j h GLU 37 Cb 0.36 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1v1j h GLU 37 CO 0.00 0.46 0.04 0.00 -0.73 0.00 0.00 179.01 178.79 1v1j h ALA 38 N 1.43 1.28 -0.65 2.92 0.00 -0.99 0.23 119.26 123.48 1v1j h ALA 38 Ca 0.37 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1v1j h ALA 38 Cb 0.33 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1v1j h ALA 38 CO -0.24 0.49 0.15 -0.07 0.00 0.00 0.00 179.25 179.58 1v1j h LEU 39 N 0.64 0.97 -0.58 0.00 3.38 0.09 -2.48 115.31 117.31 1v1j h LEU 39 Ca 0.14 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1v1j h LEU 39 Cb 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1v1j h LEU 39 CO 0.01 0.93 -0.24 0.00 0.09 0.00 0.00 178.44 179.23 1v1j h VAL 41 N 0.75 1.26 -0.14 0.00 2.07 -0.78 -1.09 116.25 118.32 1v1j h VAL 41 Ca 0.10 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1v1j h VAL 41 Cb 0.79 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1v1j h VAL 41 CO 0.07 0.35 -0.04 0.50 0.02 0.00 0.00 177.57 178.46 1v1j h LYS 42 N 0.92 0.28 -0.87 1.57 3.64 -1.39 -1.63 116.57 119.09 1v1j h LYS 42 Ca 0.19 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1v1j h LYS 42 Cb 0.37 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1v1j h LYS 42 CO 0.00 0.58 0.57 0.00 -2.27 0.00 0.00 179.45 178.33 1v1j h ALA 43 N 0.69 1.12 -0.17 5.00 0.00 -1.15 -2.45 119.26 122.30 1v1j h ALA 43 Ca 0.03 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1v1j h ALA 43 Cb 0.48 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1v1j h ALA 43 CO 0.02 0.45 -0.55 0.00 0.00 0.00 0.00 179.25 179.17 1v1j h ALA 44 N 1.34 0.72 -0.58 0.00 0.00 -1.15 -3.16 119.26 116.43 1v1j h ALA 44 Ca 0.33 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1v1j h ALA 44 Cb -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1v1j h ALA 44 CO -0.09 0.69 0.24 0.00 0.00 0.00 0.00 179.25 180.09 1v1j h ALA 45 N 1.00 1.33 0.00 0.00 0.00 -0.85 0.46 119.26 121.21 1v1j h ALA 45 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1v1j h ALA 45 Cb 1.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1v1j h ALA 45 CO 0.10 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1v1j h ALA 46 N 1.44 1.00 -0.07 0.00 0.00 -1.42 0.15 119.26 120.36 1v1j h ALA 46 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1v1j h ALA 46 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 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 -2.66 0.07 -0.34 0.00 8.25 -0.05 -4.97 115.22 115.52 1v1j n HIS 47 Ca -0.02 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1v1j n HIS 47 Cb 0.06 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 0.88 0.80 2.79 -1.41 0.00 0.52 -4.95 105.19 103.82 1v1j n GLY 48 Ca 0.10 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.34 3.61 3.34 -0.02 0.00 -0.05 -4.57 105.19 105.16 1v1j n GLY 49 Ca 0.00 -2.33 -0.18 0.00 0.00 0.00 0.00 46.02 43.52 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 -2.36 0.66 0.10 2.61 -4.23 -1.26 -3.32 115.64 107.85 1v1j s THR 50 Ca 0.03 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 1v1j s THR 50 Cb -0.00 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 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 -3.66 0.87 -0.28 2.29 -7.23 -1.26 -0.48 120.40 110.65 1v1j s VAL 51 Ca 0.37 -1.75 -0.00 0.00 -1.81 0.00 0.00 61.98 58.79 1v1j s VAL 51 Cb 0.08 -1.48 0.09 0.00 0.56 0.00 0.00 36.38 35.63 1v1j s VAL 51 CO 0.14 -0.67 0.06 -0.62 -0.31 0.00 0.00 175.10 173.70 1v1j s ASP 52 N -2.67 3.87 -0.23 4.85 -1.08 -0.11 -4.86 116.67 116.43 1v1j s ASP 52 Ca 0.08 -1.47 -0.07 0.00 -0.52 0.00 0.00 52.55 50.57 1v1j s ASP 52 Cb -0.00 -0.94 -0.03 0.00 -1.46 0.00 0.00 42.92 40.49 1v1j s ASP 52 CO -0.01 -0.36 0.07 0.12 0.52 0.00 0.00 175.17 175.50 1v1j s PHE 53 N 1.56 3.12 0.06 -5.34 5.36 -1.26 -0.59 117.98 120.89 1v1j s PHE 53 Ca 0.05 -0.29 0.02 0.00 -0.96 0.00 0.00 56.93 55.76 1v1j s PHE 53 Cb -0.18 -2.19 -0.03 0.00 -0.34 0.00 0.00 43.02 40.28 1v1j s PHE 53 CO -0.18 -0.22 -0.07 1.03 -1.46 0.00 0.00 175.22 174.32 1v1j s ARG 54 N 1.28 0.63 -0.00 10.12 0.52 -0.15 -4.97 118.95 126.37 1v1j s ARG 54 Ca 0.05 -0.95 0.02 0.00 -0.52 0.00 0.00 55.73 54.32 1v1j s ARG 54 Cb -0.15 -0.25 -0.00 0.00 0.52 0.00 0.00 34.95 35.07 1v1j s ARG 54 CO 0.03 0.03 -0.05 -1.14 0.02 0.00 0.00 175.30 174.19 1v1j s GLN 55 N -2.34 0.41 0.02 3.54 -0.44 -1.26 -0.56 119.66 119.03 1v1j s GLN 55 Ca -0.03 -0.18 -0.13 0.00 -2.50 0.00 0.00 55.36 52.53 1v1j s GLN 55 Cb -0.05 -0.40 0.02 0.00 -1.64 0.00 0.00 33.01 30.94 1v1j s GLN 55 CO -0.01 0.11 0.28 0.45 0.50 0.00 0.00 175.29 176.61 1v1j s SER 56 N -0.10 -0.11 0.00 6.67 0.15 -0.39 -4.95 113.70 114.97 1v1j s SER 56 Ca 0.02 -0.13 0.25 0.00 0.70 0.00 0.00 55.95 56.79 1v1j s SER 56 Cb -0.02 0.32 0.50 0.00 -1.71 0.00 0.00 66.02 65.11 1v1j s SER 56 CO -0.00 -0.53 1.42 0.59 1.20 0.00 0.00 173.24 175.92 1v1j n ASN 57 N 0.88 2.13 -4.36 5.45 3.02 -1.26 -2.36 115.26 118.75 1v1j n ASN 57 Ca -0.20 -1.63 -0.35 0.00 -0.03 0.00 0.00 54.58 52.37 1v1j n ASN 57 Cb 0.58 0.09 -0.13 0.00 -0.61 0.00 0.00 39.78 39.71 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 -2.14 2.99 0.16 3.10 3.76 -1.26 -4.73 115.29 117.17 1v1j s HIS 58 Ca 0.29 -0.75 -0.17 0.00 -0.15 0.00 0.00 55.06 54.28 1v1j s HIS 58 Cb 0.20 -2.12 0.08 0.00 1.11 0.00 0.00 32.58 31.86 1v1j s HIS 58 CO 0.38 -0.45 1.69 1.49 -0.85 0.00 0.00 174.74 177.00 1v1j h GLU 59 N 7.98 0.05 0.00 1.40 4.81 -2.00 -1.95 114.58 124.86 1v1j h GLU 59 Ca -0.39 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1v1j h GLU 59 Cb 1.17 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1v1j h GLU 59 CO 0.60 0.03 -0.19 0.78 -0.73 0.00 0.00 179.01 179.50 1v1j h GLY 60 N 0.05 0.00 1.57 1.92 0.00 -1.99 -0.59 103.07 104.03 1v1j h GLY 60 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.32 1v1j h GLY 60 CO -0.34 0.00 -0.73 -2.09 0.00 0.00 0.00 176.54 173.38 1v1j h GLU 61 N 0.00 0.42 -0.55 4.80 4.81 -1.81 -1.16 114.58 121.09 1v1j h GLU 61 Ca -0.00 -0.34 -0.06 0.00 -0.13 0.00 0.00 59.36 58.83 1v1j h GLU 61 Cb 0.35 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1v1j h GLU 61 CO 0.02 0.98 0.10 -0.07 -0.73 0.00 0.00 179.01 179.31 1v1j h LEU 62 N 0.29 0.82 -0.51 1.64 3.38 -0.56 -0.98 115.31 119.38 1v1j h LEU 62 Ca -0.03 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1v1j h LEU 62 Cb 1.31 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1v1j h LEU 62 CO 0.13 0.83 0.10 0.58 0.09 0.00 0.00 178.44 180.16 1v1j h VAL 63 N 0.83 1.25 -0.67 1.22 2.07 -0.76 -1.56 116.25 118.62 1v1j h VAL 63 Ca 0.17 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1v1j h VAL 63 Cb 0.35 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1v1j h VAL 63 CO 0.01 0.33 0.39 0.44 0.02 0.00 0.00 177.57 178.75 1v1j h ASP 64 N 0.72 0.83 0.39 0.57 3.32 -0.94 -2.02 116.42 119.30 1v1j h ASP 64 Ca 0.16 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1v1j h ASP 64 Cb 0.38 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1v1j h ASP 64 CO 0.01 0.67 -0.39 -0.50 -1.72 0.00 0.00 179.24 177.31 1v1j h TRP 65 N 0.92 0.00 -0.40 4.55 6.55 -0.96 -1.79 115.95 124.82 1v1j h TRP 65 Ca 0.24 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.96 1v1j h TRP 65 Cb 0.01 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.30 1v1j h TRP 65 CO -0.01 0.39 -0.24 0.82 -1.05 0.00 0.00 178.44 178.35 1v1j h ILE 66 N 0.00 1.27 -0.39 1.49 2.04 -0.85 -1.31 117.51 119.76 1v1j h ILE 66 Ca -0.00 -1.37 -0.07 0.00 1.00 0.00 0.00 64.86 64.41 1v1j h ILE 66 Cb 0.69 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1v1j h ILE 66 CO 0.05 0.46 -0.05 0.45 0.00 0.00 0.00 178.15 179.06 1v1j h HIS 67 N 0.71 0.69 -0.52 1.37 3.86 -0.79 -1.72 115.15 118.76 1v1j h HIS 67 Ca 0.09 -0.10 -0.12 0.00 -1.16 0.00 0.00 60.37 59.08 1v1j h HIS 67 Cb 0.77 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 1v1j h HIS 67 CO 0.04 0.69 -0.15 1.49 0.86 0.00 0.00 177.93 180.86 1v1j h GLU 68 N 0.61 1.01 -0.06 2.45 4.81 -0.90 -2.79 114.58 119.71 1v1j h GLU 68 Ca 0.12 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1v1j h GLU 68 Cb 0.46 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1v1j h GLU 68 CO 0.02 1.08 -0.10 0.00 -0.73 0.00 0.00 179.01 179.28 1v1j h ALA 69 N 0.93 1.72 0.00 2.92 0.00 -0.37 -0.59 119.26 123.86 1v1j h ALA 69 Ca 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1v1j h ALA 69 Cb 0.72 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1v1j h ALA 69 CO 0.06 0.21 -0.02 0.00 0.00 0.00 0.00 179.25 179.49 1v1j h ARG 70 N 0.08 0.00 0.00 0.00 3.08 -1.12 -1.44 114.38 114.98 1v1j h ARG 70 Ca 0.02 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.71 1v1j h ARG 70 Cb 0.24 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 1v1j h ARG 70 CO 0.01 0.02 -2.28 1.28 -1.07 0.00 0.00 179.97 177.94 1v1j n LEU 71 N -4.34 0.24 -0.04 3.04 4.77 -0.33 -4.74 117.00 115.62 1v1j n LEU 71 Ca -0.03 0.06 0.01 0.00 -0.03 0.00 0.00 56.01 56.02 1v1j n LEU 71 Cb 0.11 0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1v1j n LEU 71 CO 0.33 0.50 0.24 0.59 -1.33 0.00 0.00 177.39 177.71 1v1j n ASN 72 N -2.82 0.98 -4.41 -1.43 3.02 -0.62 -5.07 115.26 104.91 1v1j n ASN 72 Ca -0.31 -0.99 -0.20 0.00 -0.03 0.00 0.00 54.58 53.05 1v1j n ASN 72 Cb 1.14 0.11 -0.10 0.00 -0.61 0.00 0.00 39.78 40.31 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 -0.19 1.87 -1.56 3.10 3.76 -0.56 -4.39 115.29 117.31 1v1j s HIS 73 Ca 0.01 -0.78 0.22 0.00 -0.15 0.00 0.00 55.06 54.36 1v1j s HIS 73 Cb 0.01 -1.10 -0.09 0.00 1.11 0.00 0.00 32.58 32.51 1v1j s HIS 73 CO 0.02 0.17 1.01 0.00 -0.85 0.00 0.00 174.74 175.09 1v1j n GLY 75 N 1.46 0.56 3.03 0.00 0.00 -1.26 -4.48 105.19 104.50 1v1j n GLY 75 Ca 0.07 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 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 1.04 -0.22 -0.61 1.01 -0.27 -2.17 121.20 117.99 1v1j s ILE 76 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 1v1j s ILE 76 Cb 0.00 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 1v1j s ILE 76 CO 0.00 0.32 -0.00 -0.69 0.00 0.00 0.00 174.94 174.57 1v1j s VAL 77 N 0.41 3.81 -0.06 2.92 1.01 -0.22 -1.30 120.40 126.97 1v1j s VAL 77 Ca -0.09 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1v1j s VAL 77 Cb -0.13 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1v1j s VAL 77 CO 0.02 0.41 -0.11 -0.51 0.00 0.00 0.00 175.10 174.90 1v1j s ILE 78 N 1.29 1.06 -0.51 2.22 2.07 0.38 -0.64 121.20 127.06 1v1j s ILE 78 Ca 0.04 -0.45 -0.04 0.00 -1.41 0.00 0.00 60.65 58.79 1v1j s ILE 78 Cb -0.15 -0.97 0.13 0.00 0.13 0.00 0.00 42.46 41.60 1v1j s ILE 78 CO 0.01 0.34 0.33 0.21 -1.91 0.00 0.00 174.94 173.91 1v1j s ASN 79 N 0.61 5.33 0.00 4.50 3.84 -0.39 0.01 114.94 128.85 1v1j s ASN 79 Ca -0.13 -2.37 0.31 0.00 0.21 0.00 0.00 52.86 50.88 1v1j s ASN 79 Cb -0.15 -1.87 1.63 0.00 -0.55 0.00 0.00 41.25 40.31 1v1j s ASN 79 CO 0.03 -0.49 2.09 -2.65 -2.79 0.00 0.00 177.10 173.29 1v1j n PRO 80 N 4.16 0.86 0.00 0.43 -0.02 -1.26 0.09 135.00 139.25 1v1j n PRO 80 Ca 0.02 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1v1j n PRO 80 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 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 -0.97 0.00 -0.09 3.55 0.00 -1.26 -1.81 120.51 119.93 1v1j n ALA 81 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.72 1v1j n ALA 81 Cb 0.19 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.52 1.85 0.00 0.00 0.00 -1.93 0.08 119.26 118.74 1v1j h ALA 82 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1v1j h ALA 82 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 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 0.54 0.00 -0.95 0.00 0.99 -1.75 -1.71 116.97 114.09 1v1j h TYR 83 Ca 0.25 0.00 0.20 0.00 2.00 0.00 0.00 58.73 61.18 1v1j h TYR 83 Cb 0.31 0.00 -0.11 0.00 1.00 0.00 0.00 36.73 37.93 1v1j h TYR 83 CO -0.00 0.00 0.52 0.77 -0.00 0.00 0.00 178.16 179.45 1v1j h SER 84 N 0.00 0.61 0.42 3.88 0.02 -0.97 -0.23 113.55 117.27 1v1j h SER 84 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1v1j h SER 84 Cb 0.14 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1v1j h SER 84 CO 0.00 0.16 -0.56 1.41 -1.14 0.00 0.00 176.83 176.70 1v1j n HIS 85 N -4.88 0.00 0.00 3.45 8.25 -0.65 -1.27 115.22 120.13 1v1j n HIS 85 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1v1j n HIS 85 Cb 0.60 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 -1.46 0.00 -3.37 1.59 -2.24 -0.98 -4.85 114.28 102.97 1v1j n THR 86 Ca 0.06 -0.18 -0.45 0.00 -2.27 0.00 0.00 64.05 61.21 1v1j n THR 86 Cb 0.34 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.76 6.08 0.45 3.42 0.15 -0.13 -4.79 113.70 118.11 1v1j s SER 87 Ca 0.00 -1.84 0.23 0.00 0.70 0.00 0.00 55.95 55.04 1v1j s SER 87 Cb 0.00 -2.16 1.03 0.00 -1.71 0.00 0.00 66.02 63.18 1v1j s SER 87 CO 0.00 -0.81 1.89 0.58 1.20 0.00 0.00 173.24 176.10 1v1j h VAL 88 N 5.93 0.67 -0.38 4.45 2.07 -1.95 -3.14 116.25 123.90 1v1j h VAL 88 Ca -0.27 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.15 1v1j h VAL 88 Cb 1.09 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1v1j h VAL 88 CO 0.99 0.23 -0.10 0.00 0.02 0.00 0.00 177.57 178.71 1v1j h ALA 89 N 1.77 1.11 -0.08 1.67 0.00 -1.97 -1.55 119.26 120.21 1v1j h ALA 89 Ca -0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 1v1j h ALA 89 Cb 0.64 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1v1j h ALA 89 CO 0.03 0.56 -0.76 0.82 0.00 0.00 0.00 179.25 179.90 1v1j h ILE 90 N 0.61 1.36 -0.07 0.00 2.04 -1.92 -1.53 117.51 118.00 1v1j h ILE 90 Ca 0.11 -2.14 0.03 0.00 1.00 0.00 0.00 64.86 63.85 1v1j h ILE 90 Cb 0.53 2.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 1v1j h ILE 90 CO 0.03 0.65 -0.08 0.25 0.00 0.00 0.00 178.15 179.00 1v1j h LEU 91 N 0.32 -0.26 -1.08 1.44 5.85 -1.43 0.28 115.31 120.43 1v1j h LEU 91 Ca -0.04 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1v1j h LEU 91 Cb 1.35 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1v1j h LEU 91 CO 0.14 -0.12 -0.34 0.44 -0.34 0.00 0.00 178.44 178.22 1v1j h ASP 92 N -0.11 0.23 -0.35 1.25 3.32 -1.24 -0.32 116.42 119.20 1v1j h ASP 92 Ca 0.06 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1v1j h ASP 92 Cb 0.20 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1v1j h ASP 92 CO -0.14 0.56 0.02 0.00 -1.72 0.00 0.00 179.24 177.96 1v1j h ALA 93 N 1.46 0.47 0.00 3.45 0.00 -0.75 -2.36 119.26 121.53 1v1j h ALA 93 Ca 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1v1j h ALA 93 Cb 0.69 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1v1j h ALA 93 CO 0.05 0.22 -0.17 -0.07 0.00 0.00 0.00 179.25 179.28 1v1j h LEU 94 N 0.43 0.00 -1.07 0.00 3.38 -0.36 -1.67 115.31 116.02 1v1j h LEU 94 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1v1j h LEU 94 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1v1j h LEU 94 CO 0.01 0.17 0.00 0.78 0.09 0.00 0.00 178.44 179.49 1v1j h ASN 95 N 0.00 0.00 1.06 -0.43 -0.26 -0.54 -1.45 115.58 113.96 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 0.32 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.58 1v1j h ASN 95 CO 0.02 0.00 -0.25 0.35 -1.06 0.00 0.00 177.43 176.49 1v1j n THR 96 N -2.65 0.31 -1.60 2.81 -2.24 -0.63 -4.25 114.28 106.03 1v1j n THR 96 Ca 0.01 -0.18 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 1v1j n THR 96 Cb 0.27 -0.32 -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 3.86 3.89 0.00 0.00 8.00 -1.26 -1.67 116.55 129.38 1v1j n ASP 98 Ca 0.67 0.98 0.00 0.00 0.71 0.00 0.00 54.79 57.16 1v1j n ASP 98 Cb 0.28 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 39.87 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 4.21 2.54 3.72 0.44 0.00 -1.26 -4.97 105.19 109.87 1v1j n GLY 99 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 4.44 0.14 0.99 2.96 -0.67 -4.98 118.68 121.56 1v1j s LEU 100 Ca 0.00 1.68 -0.30 0.00 -0.22 0.00 0.00 54.13 55.29 1v1j s LEU 100 Cb 0.00 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 43.09 1v1j s LEU 100 CO 0.00 -0.14 1.24 -2.84 -1.32 0.00 0.00 176.35 173.29 1v1j s PRO 101 N 0.42 4.44 -0.06 0.98 0.02 -1.26 -4.93 135.00 134.60 1v1j s PRO 101 Ca 0.48 1.90 0.02 0.00 0.02 0.00 0.00 61.00 63.41 1v1j s PRO 101 Cb -0.22 -3.26 0.02 0.00 0.02 0.00 0.00 34.50 31.05 1v1j s PRO 101 CO 0.28 -0.20 -0.10 0.08 -0.33 0.00 0.00 177.00 176.72 1v1j s VAL 102 N 0.44 1.01 -0.10 3.83 1.01 -1.26 -1.11 120.40 124.21 1v1j s VAL 102 Ca 0.57 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1v1j s VAL 102 Cb -0.33 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1v1j s VAL 102 CO 0.34 0.33 -0.21 -0.69 0.00 0.00 0.00 175.10 174.87 1v1j s VAL 103 N 0.77 1.82 -0.11 2.92 1.01 -0.42 -0.43 120.40 125.96 1v1j s VAL 103 Ca -0.13 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 1v1j s VAL 103 Cb -0.15 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1v1j s VAL 103 CO 0.02 0.51 0.46 -0.70 0.00 0.00 0.00 175.10 175.39 1v1j s GLU 104 N 0.49 4.31 -0.02 2.72 2.12 -0.11 -0.47 118.70 127.74 1v1j s GLU 104 Ca -0.16 0.43 0.08 0.00 0.36 0.00 0.00 54.97 55.67 1v1j s GLU 104 Cb -0.17 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 1v1j s GLU 104 CO 0.06 0.20 -0.24 0.08 -0.54 0.00 0.00 175.26 174.82 1v1j s VAL 105 N 0.49 1.93 -0.04 3.70 1.01 0.10 -1.24 120.40 126.36 1v1j s VAL 105 Ca 0.25 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1v1j s VAL 105 Cb -0.15 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1v1j s VAL 105 CO 0.10 0.54 -0.13 -1.00 0.00 0.00 0.00 175.10 174.61 1v1j s HIS 106 N -0.58 1.30 0.00 5.22 3.76 0.78 -4.12 115.29 121.65 1v1j s HIS 106 Ca 0.09 -0.36 -0.24 0.00 -0.15 0.00 0.00 55.06 54.41 1v1j s HIS 106 Cb -0.09 -0.90 -0.18 0.00 1.11 0.00 0.00 32.58 32.51 1v1j s HIS 106 CO -0.01 -0.14 1.30 0.82 -0.85 0.00 0.00 174.74 175.86 1v1j h ILE 107 N 5.38 1.37 -3.63 0.60 2.04 -1.85 -1.91 117.51 119.51 1v1j h ILE 107 Ca -0.33 -1.20 -0.47 0.00 1.00 0.00 0.00 64.86 63.86 1v1j h ILE 107 Cb 1.17 2.05 0.06 0.00 -0.74 0.00 0.00 36.82 39.36 1v1j h ILE 107 CO 0.48 0.33 0.17 -0.94 0.00 0.00 0.00 178.15 178.19 1v1j s SER 108 N -5.85 5.53 -0.72 1.72 1.04 -1.26 -2.23 113.70 111.93 1v1j s SER 108 Ca -0.15 0.67 -0.19 0.00 0.48 0.00 0.00 55.95 56.77 1v1j s SER 108 Cb 0.03 -1.64 0.12 0.00 0.10 0.00 0.00 66.02 64.63 1v1j s SER 108 CO 0.70 -1.10 0.86 0.21 0.98 0.00 0.00 173.24 174.89 1v1j s ASN 109 N -4.32 6.39 0.63 7.02 3.84 -1.26 -2.05 114.94 125.18 1v1j s ASN 109 Ca 0.54 -1.73 0.42 0.00 0.21 0.00 0.00 52.86 52.30 1v1j s ASN 109 Cb -0.11 -2.33 2.28 0.00 -0.55 0.00 0.00 41.25 40.55 1v1j s ASN 109 CO 0.45 -1.06 2.29 0.16 -2.79 0.00 0.00 177.10 176.15 1v1j h ILE 110 N 5.73 0.00 0.00 -5.21 3.07 -1.91 -1.89 117.51 117.30 1v1j h ILE 110 Ca -0.11 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.29 1v1j h ILE 110 Cb 1.06 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.56 1v1j h ILE 110 CO 1.06 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.57 1v1j n HIS 111 N -2.98 0.00 0.25 0.16 8.25 -1.26 -2.36 115.22 117.28 1v1j n HIS 111 Ca -0.03 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.53 1v1j n HIS 111 Cb 0.07 -0.41 0.16 0.00 1.12 0.00 0.00 29.99 30.93 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 -1.41 2.17 -0.16 -0.41 6.02 -0.71 -4.98 117.38 117.90 1v1j n GLN 112 Ca 0.10 -2.01 0.00 0.00 -0.01 0.00 0.00 57.00 55.08 1v1j n GLN 112 Cb 0.29 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.15 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 3.21 -1.64 -1.09 1.74 -0.99 -5.06 116.66 113.94 1v1j n ARG 113 Ca 0.15 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.84 1v1j n ARG 113 Cb 0.50 0.00 0.04 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 -0.06 1.22 -0.24 5.56 4.71 -1.26 -4.86 120.64 125.70 1v1j n GLU 114 Ca 0.00 0.45 0.13 0.00 -0.01 0.00 0.00 57.16 57.74 1v1j n GLU 114 Cb 0.00 -2.23 0.42 0.00 -1.01 0.00 0.00 31.44 28.62 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 1.02 0.59 0.00 3.49 0.11 -1.97 0.47 132.00 135.71 1v1j h PRO 115 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1v1j h PRO 115 Cb 1.34 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1v1j h PRO 115 CO 0.54 0.39 0.00 0.27 -0.21 0.00 0.00 178.00 178.99 1v1j h PHE 116 N 0.61 0.00 -0.00 0.65 -5.15 -1.97 -0.76 116.94 110.31 1v1j h PHE 116 Ca 0.43 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.20 1v1j h PHE 116 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.94 1v1j h PHE 116 CO -0.00 0.00 -0.12 0.54 -2.00 0.00 0.00 178.31 176.73 1v1j n ARG 117 N -2.96 0.24 0.25 6.09 1.74 0.15 -3.94 116.66 118.23 1v1j n ARG 117 Ca 0.00 -0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.14 1v1j n ARG 117 Cb 0.24 -1.50 0.63 0.00 -1.02 0.00 0.00 32.46 30.82 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 0.14 0.00 -3.12 -1.55 3.86 -1.16 -3.44 115.15 109.89 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 0.43 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.78 1v1j h HIS 118 CO 0.00 0.15 -0.58 -1.58 0.86 0.00 0.00 177.93 176.78 1v1j s HIS 119 N -3.93 3.29 -0.05 2.45 5.65 -1.25 -4.96 115.29 116.49 1v1j s HIS 119 Ca -0.01 0.29 0.01 0.00 0.25 0.00 0.00 55.06 55.61 1v1j s HIS 119 Cb 0.12 -1.84 0.02 0.00 -1.18 0.00 0.00 32.58 29.70 1v1j s HIS 119 CO 0.60 0.55 -0.07 0.45 -0.65 0.00 0.00 174.74 175.61 1v1j s SER 120 N -0.92 1.29 0.22 9.88 0.15 -1.26 -4.29 113.70 118.77 1v1j s SER 120 Ca 0.14 -0.20 -0.03 0.00 0.70 0.00 0.00 55.95 56.56 1v1j s SER 120 Cb -0.12 -0.60 0.21 0.00 -1.71 0.00 0.00 66.02 63.80 1v1j s SER 120 CO 0.03 -0.02 1.61 1.88 1.20 0.00 0.00 173.24 177.94 1v1j h TYR 121 N 7.13 0.76 -0.00 3.44 -1.99 -1.51 -2.87 116.97 121.92 1v1j h TYR 121 Ca -0.35 -0.20 -0.04 0.00 2.00 0.00 0.00 58.73 60.14 1v1j h TYR 121 Cb 1.17 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.72 1v1j h TYR 121 CO 0.49 0.89 -0.20 0.28 -0.00 0.00 0.00 178.16 179.62 1v1j h VAL 122 N 0.55 1.15 0.00 -2.88 2.07 -1.87 -2.75 116.25 112.51 1v1j h VAL 122 Ca 0.06 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1v1j h VAL 122 Cb 0.83 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1v1j h VAL 122 CO 0.07 0.20 -0.02 0.28 0.02 0.00 0.00 177.57 178.13 1v1j h SER 123 N 0.00 0.00 0.52 0.57 0.02 -1.87 -1.14 113.55 111.66 1v1j h SER 123 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1v1j h SER 123 Cb 0.36 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1v1j h SER 123 CO 0.03 0.02 -0.41 1.56 -1.14 0.00 0.00 176.83 176.88 1v1j h GLN 124 N 0.00 0.00 0.00 3.45 4.20 -1.65 -3.31 115.11 117.80 1v1j h GLN 124 Ca -0.00 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.37 1v1j h GLN 124 Cb 0.09 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 1v1j h GLN 124 CO 0.00 0.41 -2.28 -2.13 -0.67 0.00 0.00 178.83 174.16 1v1j n ARG 125 N -3.87 0.93 -1.77 1.46 3.00 -0.68 -5.01 116.66 110.71 1v1j n ARG 125 Ca -0.01 0.01 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 1v1j n ARG 125 Cb 0.46 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.45 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 -2.76 2.29 -0.11 5.13 0.00 -0.52 -4.89 120.51 119.65 1v1j n ALA 126 Ca -0.32 0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1v1j n ALA 126 Cb 1.08 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 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 2.83 0.74 -4.70 0.00 3.32 -1.09 -3.45 116.42 114.06 1v1j h ASP 127 Ca -0.51 -0.42 -0.25 0.00 0.02 0.00 0.00 57.03 55.87 1v1j h ASP 127 Cb 1.25 -0.21 -0.18 0.00 0.22 0.00 0.00 39.33 40.41 1v1j h ASP 127 CO 0.63 1.00 -0.72 -0.83 -1.72 0.00 0.00 179.24 177.61 1v1j s GLY 128 N -3.57 0.63 -0.06 2.75 0.00 -1.18 -5.05 107.32 100.84 1v1j s GLY 128 Ca -0.12 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.57 1v1j s GLY 128 CO 0.82 -1.11 -0.05 0.14 0.00 0.00 0.00 173.10 172.90 1v1j s VAL 129 N -2.42 0.63 -0.13 1.40 1.01 -1.26 -0.94 120.40 118.69 1v1j s VAL 129 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1v1j s VAL 129 Cb -0.03 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.71 1v1j s VAL 129 CO -0.02 0.26 -0.19 -0.69 0.00 0.00 0.00 175.10 174.45 1v1j s VAL 130 N 1.10 1.85 -0.02 2.92 1.01 -0.37 -4.98 120.40 121.92 1v1j s VAL 130 Ca -0.08 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1v1j s VAL 130 Cb -0.14 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.59 1v1j s VAL 130 CO -0.01 0.51 -0.03 0.00 0.00 0.00 0.00 175.10 175.57 1v1j s ALA 131 N 0.94 0.36 -0.02 5.51 0.00 -1.26 -0.15 121.76 127.13 1v1j s ALA 131 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1v1j s ALA 131 Cb -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1v1j s ALA 131 CO -0.03 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.16 1v1j n GLY 132 N 3.46 0.46 1.82 0.00 0.00 -0.72 -4.76 105.19 105.46 1v1j n GLY 132 Ca -0.19 -0.42 -0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.19 0.69 0.25 0.00 0.00 -0.95 -2.68 105.19 102.70 1v1j n GLY 134 Ca 0.31 -0.87 0.17 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.89 -2.09 116.25 112.37 1v1j h VAL 135 Ca 0.00 -0.31 -0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1v1j h VAL 135 Cb 0.00 1.22 -0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1v1j h VAL 135 CO 0.00 0.00 -0.00 -0.61 -1.23 0.00 0.00 177.57 175.73 1v1j h GLN 136 N 0.00 0.00 -0.13 5.19 4.15 -1.93 -1.34 115.11 121.04 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 0.34 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1v1j h GLN 136 CO 0.00 0.00 0.09 0.78 -1.93 0.00 0.00 178.83 177.77 1v1j h GLY 137 N 0.02 0.14 1.17 2.39 0.00 -1.19 -0.94 103.07 104.66 1v1j h GLY 137 Ca -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.30 1v1j h GLY 137 CO 0.00 0.05 0.52 -0.97 0.00 0.00 0.00 176.54 176.14 1v1j h TYR 138 N 0.14 0.97 -0.32 5.60 -1.99 -1.44 -0.53 116.97 119.39 1v1j h TYR 138 Ca 0.05 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.73 1v1j h TYR 138 Cb 0.05 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.44 1v1j h TYR 138 CO -0.00 0.59 -0.11 0.28 -0.00 0.00 0.00 178.16 178.93 1v1j h VAL 139 N 1.03 1.28 -0.81 -2.88 2.07 -1.30 0.23 116.25 115.87 1v1j h VAL 139 Ca 0.30 -1.18 0.07 0.00 0.82 0.00 0.00 66.70 66.71 1v1j h VAL 139 Cb -0.05 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1v1j h VAL 139 CO -0.08 0.38 0.49 -0.26 0.02 0.00 0.00 177.57 178.13 1v1j h PHE 140 N 0.41 0.90 -0.24 1.57 0.05 -1.15 -0.26 116.94 118.22 1v1j h PHE 140 Ca 0.08 0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.91 1v1j h PHE 140 Cb 0.62 -0.29 -0.02 0.00 2.00 0.00 0.00 35.95 38.26 1v1j h PHE 140 CO 0.05 0.44 0.12 0.78 -0.18 0.00 0.00 178.31 179.52 1v1j h GLY 141 N 0.88 0.32 1.00 -1.45 0.00 -0.31 -1.16 103.07 102.35 1v1j h GLY 141 Ca 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1v1j h GLY 141 CO -0.19 0.07 0.37 -2.08 0.00 0.00 0.00 176.54 174.72 1v1j h VAL 142 N 0.25 1.19 -0.76 4.60 2.07 -0.36 -1.78 116.25 121.46 1v1j h VAL 142 Ca 0.10 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1v1j h VAL 142 Cb 0.03 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 1v1j h VAL 142 CO -0.07 0.20 0.37 -0.08 0.02 0.00 0.00 177.57 178.01 1v1j h GLU 143 N 0.87 1.09 -0.11 1.57 4.57 -0.88 0.07 114.58 121.77 1v1j h GLU 143 Ca 0.23 -0.15 -0.17 0.00 -1.18 0.00 0.00 59.36 58.09 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 0.84 -0.63 -0.09 -1.18 0.00 0.00 179.01 177.90 1v1j h ARG 144 N 1.08 0.41 -0.67 1.92 9.65 -0.73 -2.31 114.38 123.73 1v1j h ARG 144 Ca 0.26 -0.29 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 1v1j h ARG 144 Cb 0.11 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.70 1v1j h ARG 144 CO -0.03 0.91 0.28 0.82 2.80 0.00 0.00 179.97 184.75 1v1j h ILE 145 N 0.30 1.24 -0.97 1.20 1.08 -0.85 -1.28 117.51 118.22 1v1j h ILE 145 Ca -0.01 -0.72 0.06 0.00 -0.39 0.00 0.00 64.86 63.79 1v1j h ILE 145 Cb 1.18 0.47 -0.06 0.00 -3.07 0.00 0.00 36.82 35.33 1v1j h ILE 145 CO 0.11 0.29 0.63 0.00 -0.69 0.00 0.00 178.15 178.49 1v1j h ALA 146 N 1.12 1.43 -0.01 1.87 0.00 -0.76 0.30 119.26 123.22 1v1j h ALA 146 Ca 0.22 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 1v1j h ALA 146 Cb 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1v1j h ALA 146 CO -0.02 0.44 -0.79 0.00 0.00 0.00 0.00 179.25 178.87 1v1j h ALA 147 N 1.47 0.67 0.13 0.00 0.00 -0.97 -1.50 119.26 119.05 1v1j h ALA 147 Ca 0.41 -0.69 -0.30 0.00 0.00 0.00 0.00 54.91 54.33 1v1j h ALA 147 Cb 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1v1j h ALA 147 CO -0.15 0.91 -1.50 -0.07 0.00 0.00 0.00 179.25 178.44 1v1j h LEU 148 N 0.06 0.42 -0.42 0.00 3.38 -0.44 -3.28 115.31 115.03 1v1j h LEU 148 Ca -0.02 -0.55 -0.17 0.00 0.09 0.00 0.00 57.88 57.22 1v1j h LEU 148 Cb 1.38 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1v1j h LEU 148 CO 0.11 1.46 -0.57 0.00 0.09 0.00 0.00 178.44 179.53 1v1j h ALA 149 N 0.48 0.59 0.00 1.53 0.00 -0.49 -3.50 119.26 117.87 1v1j h ALA 149 Ca -0.23 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1v1j h ALA 149 Cb 2.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1v1j h ALA 149 CO 0.17 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.52