#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kiv s GLN 2 N 0.00 2.79 -0.11 1.45 0.74 -1.26 -5.12 119.66 118.15 2kiv s GLN 2 Ca 0.00 -0.66 0.00 0.00 0.05 0.00 0.00 55.36 54.75 2kiv s GLN 2 Cb 0.00 -2.68 -0.02 0.00 1.10 0.00 0.00 33.01 31.41 2kiv s GLN 2 CO 0.00 0.60 -0.11 0.99 -0.55 0.00 0.00 175.29 176.21 2kiv s THR 3 N -1.21 3.25 0.47 -0.34 2.01 -1.26 -3.88 115.64 114.68 2kiv s THR 3 Ca 0.23 -0.61 0.20 0.00 0.31 0.00 0.00 61.69 61.82 2kiv s THR 3 Cb -0.12 -2.35 0.38 0.00 0.01 0.00 0.00 72.50 70.42 2kiv s THR 3 CO 0.15 0.54 1.95 0.58 -0.69 0.00 0.00 174.62 177.14 2kiv h VAL 4 N 5.03 0.76 0.67 3.82 2.07 -1.89 -1.18 116.25 125.54 2kiv h VAL 4 Ca -0.33 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 2kiv h VAL 4 Cb 1.19 0.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2kiv h VAL 4 CO 0.55 0.05 -0.32 1.23 0.02 0.00 0.00 177.57 179.09 2kiv h GLY 5 N 0.25 -0.95 1.00 2.17 0.00 -1.91 0.25 103.07 103.88 2kiv h GLY 5 Ca 0.33 0.35 0.01 0.00 0.00 0.00 0.00 47.33 48.02 2kiv h GLY 5 CO -0.07 -0.34 0.38 -1.61 0.00 0.00 0.00 176.54 174.89 2kiv h GLN 6 N -1.07 0.75 0.51 4.80 -0.00 -1.88 0.78 115.11 119.00 2kiv h GLN 6 Ca -0.09 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.49 2kiv h GLN 6 Cb 0.73 -0.17 0.01 0.00 0.00 0.00 0.00 27.48 28.04 2kiv h GLN 6 CO 0.15 0.50 -0.25 2.35 0.00 0.00 0.00 178.83 181.58 2kiv h TRP 7 N 0.77 -0.64 -0.25 3.99 7.01 -1.24 0.26 115.95 125.85 2kiv h TRP 7 Ca 0.21 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.25 2kiv h TRP 7 Cb -0.08 0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 2kiv h TRP 7 CO -0.04 -0.34 0.18 1.25 -2.79 0.00 0.00 178.44 176.70 2kiv h LEU 8 N -0.82 0.10 -0.04 0.65 5.85 -0.40 0.89 115.31 121.54 2kiv h LEU 8 Ca -0.07 -0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.48 2kiv h LEU 8 Cb 0.58 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2kiv h LEU 8 CO 0.12 0.07 -0.82 -0.33 -0.34 0.00 0.00 178.44 177.14 2kiv h GLU 9 N 0.12 0.00 0.00 1.25 5.08 -0.56 0.27 114.58 120.73 2kiv h GLU 9 Ca 0.11 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 2kiv h GLU 9 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2kiv h GLU 9 CO -0.01 0.82 -0.77 1.03 -1.00 0.00 0.00 179.01 179.07 2kiv h SER 10 N 0.00 0.00 0.13 1.42 0.87 0.12 -3.33 113.55 112.75 2kiv h SER 10 Ca -0.01 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.20 2kiv h SER 10 Cb 1.61 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.51 2kiv h SER 10 CO 0.11 0.71 -2.22 2.30 -0.53 0.00 0.00 176.83 177.21 2kiv n ILE 11 N -3.26 1.46 0.00 2.23 -5.35 0.14 -5.01 119.36 109.57 2kiv n ILE 11 Ca 0.00 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 2kiv n ILE 11 Cb 0.83 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 2kiv n ILE 11 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kiv n GLY 12 N 1.75 2.90 3.30 3.28 0.00 0.90 -4.79 105.19 112.53 2kiv n GLY 12 Ca -0.30 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 2kiv n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kiv s LEU 13 N 0.00 0.51 0.00 0.99 1.43 -0.95 -4.72 118.68 115.95 2kiv s LEU 13 Ca 0.00 -0.33 0.15 0.00 -1.03 0.00 0.00 54.13 52.91 2kiv s LEU 13 Cb 0.00 1.74 0.70 0.00 0.03 0.00 0.00 46.19 48.67 2kiv s LEU 13 CO 0.00 -0.83 1.42 -0.81 0.23 0.00 0.00 176.35 176.36 2kiv n PRO 14 N -0.16 0.15 0.20 1.29 -0.04 -1.26 -2.88 135.00 132.30 2kiv n PRO 14 Ca -0.16 0.18 0.14 0.00 -0.04 0.00 0.00 63.50 63.61 2kiv n PRO 14 Cb 0.63 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 33.28 2kiv n PRO 14 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2kiv h GLN 15 N 0.00 0.00 -0.00 0.54 1.08 -1.96 -1.53 115.11 113.24 2kiv h GLN 15 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2kiv h GLN 15 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2kiv h GLN 15 CO 0.00 0.00 -0.27 0.66 -0.95 0.00 0.00 178.83 178.27 2kiv n TYR 16 N -2.47 0.00 0.09 2.96 4.01 -1.14 -4.70 117.16 115.91 2kiv n TYR 16 Ca -0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 2kiv n TYR 16 Cb 0.11 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.06 2kiv n TYR 16 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2kiv h GLU 17 N 0.15 -0.62 -0.99 -0.72 5.08 -1.40 0.69 114.58 116.77 2kiv h GLU 17 Ca 0.00 0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.59 2kiv h GLU 17 Cb 0.17 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 29.45 2kiv h GLU 17 CO 0.00 -0.42 0.59 -0.91 -1.00 0.00 0.00 179.01 177.28 2kiv h ASN 18 N -0.65 0.76 0.68 1.42 2.35 -1.84 -0.75 115.58 117.55 2kiv h ASN 18 Ca 0.03 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 2kiv h ASN 18 Cb 0.69 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 39.03 2kiv h ASN 18 CO -0.29 0.28 -0.33 0.45 -1.65 0.00 0.00 177.43 175.89 2kiv h HIS 19 N 0.76 -0.84 0.08 1.19 3.86 -1.54 -0.59 115.15 118.05 2kiv h HIS 19 Ca 0.56 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.77 2kiv h HIS 19 Cb 0.86 0.28 -0.05 0.00 1.06 0.00 0.00 27.41 29.56 2kiv h HIS 19 CO -0.02 -0.49 -0.49 -0.07 0.86 0.00 0.00 177.93 177.72 2kiv h LEU 20 N -1.08 -1.50 -0.36 2.43 4.07 -0.30 0.32 115.31 118.90 2kiv h LEU 20 Ca -0.09 0.16 0.08 0.00 0.08 0.00 0.00 57.88 58.11 2kiv h LEU 20 Cb 0.73 0.56 -0.08 0.00 1.08 0.00 0.00 40.66 42.94 2kiv h LEU 20 CO 0.15 -0.51 -0.23 0.24 -1.08 0.00 0.00 178.44 177.02 2kiv h MET 21 N -0.68 -0.17 0.00 1.13 2.86 -0.03 0.49 114.93 118.54 2kiv h MET 21 Ca -0.00 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2kiv h MET 21 Cb 0.69 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 2kiv h MET 21 CO -0.29 -0.11 -0.01 0.00 1.06 0.00 0.00 176.91 177.56 2kiv h ALA 22 N 1.01 1.43 -0.40 6.32 0.00 -0.63 0.44 119.26 127.43 2kiv h ALA 22 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2kiv h ALA 22 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kiv h ALA 22 CO -0.47 0.01 0.00 -1.71 0.00 0.00 0.00 179.25 177.08 2kiv n ASN 23 N -3.72 3.85 0.00 0.00 2.85 0.11 -4.87 115.26 113.48 2kiv n ASN 23 Ca -0.03 -2.50 0.00 0.00 -0.11 0.00 0.00 54.58 51.94 2kiv n ASN 23 Cb 0.09 -0.57 0.00 0.00 1.24 0.00 0.00 39.78 40.54 2kiv n ASN 23 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kiv n GLY 24 N 0.57 3.22 3.08 8.20 0.00 0.14 -0.31 105.19 120.10 2kiv n GLY 24 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2kiv n GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kiv n PHE 25 N -1.68 3.22 -0.02 1.61 3.72 0.13 -4.37 117.46 120.06 2kiv n PHE 25 Ca 0.00 -2.48 0.03 0.00 -0.05 0.00 0.00 57.45 54.95 2kiv n PHE 25 Cb 0.00 -2.35 -0.10 0.00 -0.94 0.00 0.00 39.48 36.09 2kiv n PHE 25 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2kiv n ASP 26 N 7.76 2.13 -4.11 4.37 5.75 -1.26 -1.48 116.55 129.70 2kiv n ASP 26 Ca 0.50 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.98 2kiv n ASP 26 Cb 0.41 1.33 -0.17 0.00 -1.03 0.00 0.00 41.12 41.67 2kiv n ASP 26 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2kiv s ASN 27 N -3.75 2.78 0.56 -1.12 2.47 -1.26 -3.72 114.94 110.90 2kiv s ASN 27 Ca -0.05 -0.52 0.25 0.00 0.42 0.00 0.00 52.86 52.96 2kiv s ASN 27 Cb 0.07 -1.27 1.55 0.00 -1.45 0.00 0.00 41.25 40.15 2kiv s ASN 27 CO 0.51 0.04 2.13 0.58 -3.72 0.00 0.00 177.10 176.64 2kiv h VAL 28 N 5.90 0.66 -0.11 -5.21 2.07 -1.88 -0.51 116.25 117.17 2kiv h VAL 28 Ca -0.32 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.23 2kiv h VAL 28 Cb 1.18 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2kiv h VAL 28 CO 0.52 0.00 0.10 1.56 0.02 0.00 0.00 177.57 179.78 2kiv h GLN 29 N 0.00 0.00 -0.21 1.57 1.08 -1.95 -0.86 115.11 114.74 2kiv h GLN 29 Ca 0.07 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.33 2kiv h GLN 29 Cb 0.34 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 2kiv h GLN 29 CO -0.00 0.00 0.24 0.00 -0.95 0.00 0.00 178.83 178.12 2kiv h ALA 30 N 1.89 1.82 -0.79 3.87 0.00 -1.49 0.15 119.26 124.71 2kiv h ALA 30 Ca 0.05 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.56 2kiv h ALA 30 Cb 0.26 0.02 -0.24 0.00 0.00 0.00 0.00 17.79 17.83 2kiv h ALA 30 CO -0.00 -0.35 0.42 -1.33 0.00 0.00 0.00 179.25 177.99 2kiv n MET 31 N -3.75 2.27 0.00 0.00 2.81 -0.33 -4.53 117.12 113.60 2kiv n MET 31 Ca 0.02 -3.07 0.00 0.00 -1.81 0.00 0.00 57.70 52.85 2kiv n MET 31 Cb 0.37 -2.08 0.00 0.00 -0.71 0.00 0.00 33.22 30.80 2kiv n MET 31 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kiv n GLY 32 N -1.05 -2.36 0.08 3.03 0.00 0.51 -4.35 105.19 101.05 2kiv n GLY 32 Ca 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.41 2kiv n GLY 32 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kiv h SER 33 N 0.00 -0.06 -1.83 1.61 0.02 -1.85 -3.47 113.55 107.97 2kiv h SER 33 Ca 0.00 -0.60 -0.06 0.00 -0.84 0.00 0.00 61.79 60.29 2kiv h SER 33 Cb 0.00 0.01 0.03 0.00 0.14 0.00 0.00 62.40 62.58 2kiv h SER 33 CO 0.00 0.66 0.02 -0.46 -1.14 0.00 0.00 176.83 175.91 2kiv n ASN 34 N -4.77 -1.01 -3.66 3.07 6.94 -1.26 -5.09 115.26 109.48 2kiv n ASN 34 Ca -0.08 -0.66 -0.06 0.00 -0.02 0.00 0.00 54.58 53.77 2kiv n ASN 34 Cb 0.32 -0.15 -0.07 0.00 -2.36 0.00 0.00 39.78 37.52 2kiv n ASN 34 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2kiv s VAL 35 N -1.31 -0.54 -0.57 3.53 0.11 -1.26 -4.80 120.40 115.57 2kiv s VAL 35 Ca 0.10 0.06 -0.30 0.00 -2.93 0.00 0.00 61.98 58.91 2kiv s VAL 35 Cb -0.01 -0.85 -0.12 0.00 -1.53 0.00 0.00 36.38 33.86 2kiv s VAL 35 CO 0.08 0.02 2.41 0.80 -3.33 0.00 0.00 175.10 175.09 2kiv n MET 36 N 5.00 0.81 -2.28 1.54 1.56 -1.26 -4.92 117.12 117.57 2kiv n MET 36 Ca -0.15 0.11 -0.24 0.00 -0.27 0.00 0.00 57.70 57.15 2kiv n MET 36 Cb 0.52 -2.62 0.14 0.00 2.15 0.00 0.00 33.22 33.42 2kiv n MET 36 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2kiv n GLU 37 N 8.61 -0.48 -0.35 2.12 -0.58 -1.26 -4.81 120.64 123.90 2kiv n GLU 37 Ca 0.46 -2.42 0.04 0.00 -0.42 0.00 0.00 57.16 54.82 2kiv n GLU 37 Cb 0.31 -0.87 0.20 0.00 -0.57 0.00 0.00 31.44 30.51 2kiv n GLU 37 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2kiv h ASP 38 N -0.94 0.91 0.19 1.62 2.03 -1.99 -1.07 116.42 117.16 2kiv h ASP 38 Ca -0.35 0.03 0.01 0.00 -0.73 0.00 0.00 57.03 55.99 2kiv h ASP 38 Cb 1.17 -0.15 -0.04 0.00 -0.83 0.00 0.00 39.33 39.48 2kiv h ASP 38 CO 0.33 0.53 -0.51 1.56 -1.03 0.00 0.00 179.24 180.11 2kiv h GLN 39 N 1.01 -0.75 -0.63 4.15 4.20 -1.99 -0.63 115.11 120.47 2kiv h GLN 39 Ca 0.45 0.05 0.02 0.00 0.06 0.00 0.00 58.65 59.23 2kiv h GLN 39 Cb 0.34 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 2kiv h GLN 39 CO -0.23 -0.50 0.41 -0.44 -0.67 0.00 0.00 178.83 177.40 2kiv h ASP 40 N -0.78 0.69 -0.77 1.46 3.32 -1.86 0.54 116.42 119.01 2kiv h ASP 40 Ca -0.02 -0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.18 2kiv h ASP 40 Cb 0.76 -0.16 -0.10 0.00 0.22 0.00 0.00 39.33 40.05 2kiv h ASP 40 CO -0.24 0.49 0.29 0.25 -1.72 0.00 0.00 179.24 178.31 2kiv h LEU 41 N 0.82 0.23 -0.13 1.55 5.85 -0.71 0.67 115.31 123.60 2kiv h LEU 41 Ca 0.24 0.12 -0.19 0.00 0.84 0.00 0.00 57.88 58.89 2kiv h LEU 41 Cb -0.05 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2kiv h LEU 41 CO -0.07 0.07 -0.90 0.25 -0.34 0.00 0.00 178.44 177.45 2kiv h LEU 42 N 0.41 0.00 -1.07 2.25 5.85 -0.64 -3.25 115.31 118.85 2kiv h LEU 42 Ca 0.43 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.11 2kiv h LEU 42 Cb 0.69 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 2kiv h LEU 42 CO -0.44 0.90 0.21 -0.33 -0.34 0.00 0.00 178.44 178.43 2kiv h GLU 43 N 0.00 0.87 0.00 1.25 5.08 0.13 -3.30 114.58 118.61 2kiv h GLU 43 Ca -0.01 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2kiv h GLU 43 Cb 1.63 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.73 2kiv h GLU 43 CO 0.12 0.73 0.00 -0.89 -1.00 0.00 0.00 179.01 177.97 2kiv n ILE 44 N -4.31 0.00 0.00 3.13 2.08 -0.18 -4.98 119.36 115.11 2kiv n ILE 44 Ca 0.05 1.23 0.00 0.00 0.56 0.00 0.00 62.75 64.58 2kiv n ILE 44 Cb 0.19 -2.20 0.00 0.00 -0.75 0.00 0.00 39.64 36.88 2kiv n ILE 44 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2kiv n GLY 45 N -0.58 0.00 3.18 7.39 0.00 -1.24 -5.01 105.19 108.93 2kiv n GLY 45 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2kiv n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kiv s ILE 46 N 0.00 3.31 -0.33 -0.61 1.09 -1.25 -5.06 121.20 118.35 2kiv s ILE 46 Ca 0.00 -1.57 0.02 0.00 -1.10 0.00 0.00 60.65 57.99 2kiv s ILE 46 Cb 0.00 -3.03 0.08 0.00 -1.06 0.00 0.00 42.46 38.45 2kiv s ILE 46 CO 0.00 -0.35 0.03 -0.76 -0.10 0.00 0.00 174.94 173.76 2kiv s LEU 47 N 1.25 4.39 0.00 2.97 1.43 -1.26 -4.85 118.68 122.61 2kiv s LEU 47 Ca 0.01 -1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 51.20 2kiv s LEU 47 Cb -0.21 -1.66 0.04 0.00 0.03 0.00 0.00 46.19 44.39 2kiv s LEU 47 CO -0.01 -0.34 0.55 -3.20 0.23 0.00 0.00 176.35 173.57 2kiv n ASN 48 N 4.42 -1.42 -3.89 2.29 4.05 -1.26 -5.12 115.26 114.34 2kiv n ASN 48 Ca -0.04 -1.94 -0.30 0.00 0.45 0.00 0.00 54.58 52.75 2kiv n ASN 48 Cb 0.42 2.35 -0.14 0.00 1.23 0.00 0.00 39.78 43.64 2kiv n ASN 48 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2kiv s SER 49 N -2.39 4.14 0.00 1.20 0.15 -1.26 -4.66 113.70 110.88 2kiv s SER 49 Ca 0.11 -2.90 0.00 0.00 0.70 0.00 0.00 55.95 53.86 2kiv s SER 49 Cb -0.03 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 2kiv s SER 49 CO 0.07 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2kiv n GLY 50 N 3.24 1.30 0.13 9.45 0.00 -1.26 -4.98 105.19 113.06 2kiv n GLY 50 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 2kiv n GLY 50 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2kiv h HIS 51 N 0.00 0.74 -0.25 1.61 6.17 -1.99 -3.16 115.15 118.26 2kiv h HIS 51 Ca 0.00 -0.54 0.06 0.00 0.71 0.00 0.00 60.37 60.60 2kiv h HIS 51 Cb 0.00 -0.03 -0.07 0.00 2.52 0.00 0.00 27.41 29.83 2kiv h HIS 51 CO 0.00 1.47 -0.22 0.00 0.71 0.00 0.00 177.93 179.89 2kiv h ARG 52 N 0.11 -0.21 -0.12 5.26 -0.00 -1.92 -0.23 114.38 117.27 2kiv h ARG 52 Ca -0.23 0.01 -0.06 0.00 -0.50 0.00 0.00 59.98 59.21 2kiv h ARG 52 Cb 2.08 0.05 -0.01 0.00 0.00 0.00 0.00 29.97 32.09 2kiv h ARG 52 CO 0.23 -0.14 -0.18 0.37 0.00 0.00 0.00 179.97 180.25 2kiv h GLN 53 N -0.22 0.20 0.79 0.04 5.75 -1.98 -0.71 115.11 118.98 2kiv h GLN 53 Ca 0.14 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 2kiv h GLN 53 Cb 0.43 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 28.96 2kiv h GLN 53 CO -0.37 0.38 -0.38 -0.09 -2.65 0.00 0.00 178.83 175.72 2kiv h ARG 54 N 0.19 -1.02 -0.47 1.69 9.65 -1.06 -0.51 114.38 122.84 2kiv h ARG 54 Ca 0.04 0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 2kiv h ARG 54 Cb 0.43 0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 29.22 2kiv h ARG 54 CO 0.03 -0.68 0.23 0.82 2.80 0.00 0.00 179.97 183.17 2kiv h ILE 55 N -1.12 1.18 0.17 1.20 2.04 -1.18 0.05 117.51 119.86 2kiv h ILE 55 Ca -0.11 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 2kiv h ILE 55 Cb 0.81 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2kiv h ILE 55 CO 0.18 0.20 -0.22 -0.07 0.00 0.00 0.00 178.15 178.24 2kiv h LEU 56 N 0.61 -0.63 -1.26 1.44 3.38 -1.14 0.25 115.31 117.96 2kiv h LEU 56 Ca 0.16 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.28 2kiv h LEU 56 Cb 0.11 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 2kiv h LEU 56 CO -0.02 -0.28 0.55 -0.61 0.09 0.00 0.00 178.44 178.17 2kiv h GLN 57 N -0.41 0.81 0.00 1.13 4.15 -1.11 0.69 115.11 120.37 2kiv h GLN 57 Ca -0.02 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2kiv h GLN 57 Cb 0.37 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.87 2kiv h GLN 57 CO -0.06 0.53 0.00 0.00 -1.93 0.00 0.00 178.83 177.38 2kiv n ALA 58 N -2.42 -0.41 0.01 3.38 0.00 0.00 -0.24 120.51 120.82 2kiv n ALA 58 Ca 0.14 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.80 2kiv n ALA 58 Cb 0.30 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.48 2kiv n ALA 58 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2kiv h ILE 59 N 0.00 0.53 -0.03 0.00 6.09 -0.45 0.44 117.51 124.09 2kiv h ILE 59 Ca 0.00 0.00 -0.19 0.00 -1.37 0.00 0.00 64.86 63.30 2kiv h ILE 59 Cb 0.00 0.66 -0.01 0.00 0.47 0.00 0.00 36.82 37.94 2kiv h ILE 59 CO 0.00 0.00 -0.81 -0.61 -3.07 0.00 0.00 178.15 173.66 2kiv h GLN 60 N 0.00 0.29 0.00 2.19 4.15 -0.73 -3.14 115.11 117.87 2kiv h GLN 60 Ca 0.26 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2kiv h GLN 60 Cb 1.17 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.93 2kiv h GLN 60 CO -0.00 0.95 -0.63 1.28 -1.93 0.00 0.00 178.83 178.50 2kiv n LEU 61 N -3.75 0.58 0.07 -2.39 4.77 0.79 -4.21 117.00 112.86 2kiv n LEU 61 Ca -0.04 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.78 2kiv n LEU 61 Cb 0.75 -0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 41.55 2kiv n LEU 61 CO 0.48 0.09 0.51 -0.07 -1.33 0.00 0.00 177.39 177.07 2kiv h LEU 62 N 0.00 -1.64 -1.45 2.23 3.38 -0.26 -1.28 115.31 116.28 2kiv h LEU 62 Ca 0.00 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2kiv h LEU 62 Cb 0.57 0.62 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2kiv h LEU 62 CO 0.00 -0.53 -0.08 1.55 0.09 0.00 0.00 178.44 179.47 2kiv h PRO 63 N -0.69 0.00 0.00 1.13 0.13 -1.74 0.50 132.00 131.33 2kiv h PRO 63 Ca 0.01 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.08 2kiv h PRO 63 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 2kiv h PRO 63 CO -0.34 0.08 -0.26 -0.22 -0.23 0.00 0.00 178.00 177.02 2kiv h LYS 64 N 0.00 0.00 0.00 0.86 3.64 -1.43 -1.70 116.57 117.94 2kiv h LYS 64 Ca -0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 2kiv h LYS 64 Cb 0.55 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2kiv h LYS 64 CO 0.01 0.26 -1.69 -0.12 -2.27 0.00 0.00 179.45 175.64 2kiv n MET 65 N -3.99 1.43 -3.27 1.90 1.56 -0.85 -4.80 117.12 109.10 2kiv n MET 65 Ca -0.02 -0.05 -0.25 0.00 -0.27 0.00 0.00 57.70 57.11 2kiv n MET 65 Cb 0.34 -1.29 -0.08 0.00 2.15 0.00 0.00 33.22 34.33 2kiv n MET 65 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2kiv n ARG 66 N -2.22 0.60 -0.05 2.12 5.12 0.14 -4.97 116.66 117.40 2kiv n ARG 66 Ca -0.12 -3.26 -0.13 0.00 -1.93 0.00 0.00 57.85 52.41 2kiv n ARG 66 Cb 0.65 -1.40 -0.08 0.00 -1.16 0.00 0.00 32.46 30.48 2kiv n ARG 66 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2kiv h PRO 67 N 4.55 0.28 -6.79 5.56 0.13 -1.52 -3.38 132.00 130.83 2kiv h PRO 67 Ca 0.14 -0.14 -0.52 0.00 -0.87 0.00 0.00 66.00 64.60 2kiv h PRO 67 Cb 0.88 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.70 2kiv h PRO 67 CO 0.44 0.68 -0.75 1.51 -0.23 0.00 0.00 178.00 179.65 2kiv n ILE 68 N -4.62 0.00 -2.10 -3.56 3.06 -1.26 -4.84 119.36 106.03 2kiv n ILE 68 Ca -0.07 0.00 -0.35 0.00 -2.50 0.00 0.00 62.75 59.83 2kiv n ILE 68 Cb 0.33 -0.41 0.02 0.00 0.54 0.00 0.00 39.64 40.12 2kiv n ILE 68 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 2kiv s GLY 69 N -3.02 2.68 0.03 4.50 0.00 -1.26 -5.05 107.32 105.21 2kiv s GLY 69 Ca 0.69 0.92 -0.13 0.00 0.00 0.00 0.00 44.72 46.21 2kiv s GLY 69 CO 0.85 1.30 0.27 -1.58 0.00 0.00 0.00 173.10 173.94 2kiv s HIS 70 N -1.69 -0.07 0.38 1.90 5.04 -1.26 -5.18 115.29 114.41 2kiv s HIS 70 Ca 0.75 -0.05 0.06 0.00 -1.54 0.00 0.00 55.06 54.28 2kiv s HIS 70 Cb -0.27 0.06 -0.07 0.00 0.04 0.00 0.00 32.58 32.33 2kiv s HIS 70 CO 0.31 -0.46 0.03 0.16 -2.34 0.00 0.00 174.74 172.44 2kiv s ASP 71 N -1.94 3.27 0.00 9.88 -4.77 -1.26 -5.16 116.67 116.70 2kiv s ASP 71 Ca -0.07 -1.38 0.00 0.00 -3.30 0.00 0.00 52.55 47.81 2kiv s ASP 71 Cb -0.02 -0.26 0.00 0.00 -1.09 0.00 0.00 42.92 41.55 2kiv s ASP 71 CO -0.02 -0.52 0.00 0.61 0.70 0.00 0.00 175.17 175.94 2kiv n GLY 72 N -0.86 1.91 2.78 2.12 0.00 -1.26 -5.13 105.19 104.76 2kiv n GLY 72 Ca -0.04 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 2kiv n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kiv s ALA 73 N -1.71 -0.53 0.18 4.61 0.00 -1.26 -5.14 121.76 117.91 2kiv s ALA 73 Ca 0.00 -0.67 0.07 0.00 0.00 0.00 0.00 51.96 51.36 2kiv s ALA 73 Cb 0.00 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 2kiv s ALA 73 CO 0.00 -1.98 -0.14 -1.01 0.00 0.00 0.00 175.76 172.63 2kiv s HIS 74 N 1.80 1.60 -0.16 0.00 3.76 -1.26 -5.11 115.29 115.93 2kiv s HIS 74 Ca 0.14 -0.61 -0.29 0.00 -0.15 0.00 0.00 55.06 54.15 2kiv s HIS 74 Cb -0.14 -0.76 -0.03 0.00 1.11 0.00 0.00 32.58 32.75 2kiv s HIS 74 CO -0.14 0.28 1.57 -1.25 -0.85 0.00 0.00 174.74 174.34 2kiv s PRO 75 N -3.55 3.99 0.15 8.40 0.04 -1.26 -4.99 135.00 137.79 2kiv s PRO 75 Ca 0.20 1.83 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 2kiv s PRO 75 Cb -0.01 -3.97 0.01 0.00 0.04 0.00 0.00 34.50 30.57 2kiv s PRO 75 CO 0.05 -1.05 0.33 0.95 0.04 0.00 0.00 177.00 177.32 2kiv s THR 76 N 4.54 0.07 0.54 1.26 -4.23 -1.26 -5.12 115.64 111.45 2kiv s THR 76 Ca 0.69 -1.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.14 2kiv s THR 76 Cb -0.27 -1.59 0.03 0.00 1.34 0.00 0.00 72.50 72.01 2kiv s THR 76 CO 0.27 -0.33 0.31 -0.44 -0.54 0.00 0.00 174.62 173.89 2kiv s SER 77 N -2.90 4.50 0.38 3.99 0.01 -1.26 -4.92 113.70 113.50 2kiv s SER 77 Ca 0.11 -1.37 0.12 0.00 1.31 0.00 0.00 55.95 56.12 2kiv s SER 77 Cb 0.02 0.49 0.91 0.00 0.21 0.00 0.00 66.02 67.66 2kiv s SER 77 CO -0.04 -1.07 1.87 0.58 0.41 0.00 0.00 173.24 174.99 2kiv h VAL 78 N 0.88 0.79 0.00 3.43 2.07 -1.86 0.21 116.25 121.77 2kiv h VAL 78 Ca -0.38 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 2kiv h VAL 78 Cb 1.31 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2kiv h VAL 78 CO 0.61 0.11 -0.00 0.00 0.02 0.00 0.00 177.57 178.31 2kiv h ALA 79 N 1.61 -0.71 -0.90 1.67 0.00 -1.95 -1.14 119.26 117.84 2kiv h ALA 79 Ca 0.45 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.57 2kiv h ALA 79 Cb 0.84 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2kiv h ALA 79 CO -0.19 -0.71 0.61 0.93 0.00 0.00 0.00 179.25 179.88 2kiv h GLU 80 N -0.01 0.31 0.78 0.00 5.08 -1.92 0.12 114.58 118.93 2kiv h GLU 80 Ca -0.00 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2kiv h GLU 80 Cb 0.00 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.19 2kiv h GLU 80 CO 0.00 0.21 -0.37 2.35 -1.00 0.00 0.00 179.01 180.19 2kiv h TRP 81 N 0.32 -0.97 -0.39 4.33 7.01 -0.58 -2.90 115.95 122.76 2kiv h TRP 81 Ca 0.47 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.44 2kiv h TRP 81 Cb 1.29 0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 28.65 2kiv h TRP 81 CO -0.00 -0.59 0.22 -0.07 -2.79 0.00 0.00 178.44 175.21 2kiv h LEU 82 N -1.22 0.47 -0.72 0.65 3.38 -0.48 -2.39 115.31 115.00 2kiv h LEU 82 Ca -0.11 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 57.96 2kiv h LEU 82 Cb 0.81 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.36 2kiv h LEU 82 CO 0.18 0.37 0.31 -0.78 0.09 0.00 0.00 178.44 178.61 2kiv h ASP 83 N 0.54 0.35 0.43 -0.43 3.58 0.11 0.28 116.42 121.27 2kiv h ASP 83 Ca 0.14 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 2kiv h ASP 83 Cb 0.00 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 2kiv h ASP 83 CO -0.02 0.17 -0.07 -1.28 -2.88 0.00 0.00 179.24 175.16 2kiv h SER 84 N 0.50 0.00 -0.77 2.28 0.87 -1.22 -2.10 113.55 113.10 2kiv h SER 84 Ca 0.38 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.53 2kiv h SER 84 Cb 0.50 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.22 2kiv h SER 84 CO -0.34 0.07 0.52 -0.38 -0.53 0.00 0.00 176.83 176.16 2kiv n ILE 85 N -3.40 2.73 -2.52 2.23 5.41 0.85 -4.86 119.36 119.80 2kiv n ILE 85 Ca -0.02 -1.52 -0.13 0.00 1.00 0.00 0.00 62.75 62.09 2kiv n ILE 85 Cb 0.22 -0.61 -0.00 0.00 -0.71 0.00 0.00 39.64 38.53 2kiv n ILE 85 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2kiv n GLU 86 N -0.77 -2.37 -4.41 0.38 2.13 -0.79 -4.93 120.64 109.88 2kiv n GLU 86 Ca 0.47 0.58 -0.24 0.00 0.66 0.00 0.00 57.16 58.63 2kiv n GLU 86 Cb 1.39 -5.19 -0.17 0.00 0.27 0.00 0.00 31.44 27.74 2kiv n GLU 86 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kiv s LEU 87 N -5.68 1.51 0.00 4.31 1.43 -0.48 -5.01 118.68 114.76 2kiv s LEU 87 Ca 0.03 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2kiv s LEU 87 Cb -0.02 -0.73 0.00 0.00 0.03 0.00 0.00 46.19 45.48 2kiv s LEU 87 CO 0.04 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.23 2kiv n GLY 88 N 3.99 0.00 0.37 -3.19 0.00 -1.26 -1.69 105.19 103.40 2kiv n GLY 88 Ca -0.22 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.90 2kiv n GLY 88 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kiv h ASP 89 N 0.00 0.81 -0.95 1.61 3.58 -1.98 0.32 116.42 119.81 2kiv h ASP 89 Ca 0.00 0.05 0.26 0.00 0.42 0.00 0.00 57.03 57.77 2kiv h ASP 89 Cb 0.53 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.43 2kiv h ASP 89 CO 0.00 0.40 0.67 1.88 -2.88 0.00 0.00 179.24 179.31 2kiv h TYR 90 N 0.86 0.13 -0.95 0.28 0.05 -2.00 0.27 116.97 115.61 2kiv h TYR 90 Ca 0.50 0.00 0.20 0.00 0.05 0.00 0.00 58.73 59.48 2kiv h TYR 90 Cb 0.64 -0.04 -0.11 0.00 1.01 0.00 0.00 36.73 38.23 2kiv h TYR 90 CO -0.00 0.02 0.53 1.15 -1.05 0.00 0.00 178.16 178.81 2kiv h THR 91 N 0.09 0.64 0.06 -2.88 2.02 -1.25 -0.84 112.91 110.75 2kiv h THR 91 Ca 0.47 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.43 2kiv h THR 91 Cb 1.70 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2kiv h THR 91 CO -0.05 0.12 -0.07 0.50 0.37 0.00 0.00 175.52 176.39 2kiv h LYS 92 N 0.64 -0.14 -0.19 6.66 3.11 -1.10 -0.93 116.57 124.62 2kiv h LYS 92 Ca 0.56 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 58.44 2kiv h LYS 92 Cb 0.94 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.17 2kiv h LYS 92 CO -0.42 -0.09 0.04 0.00 -2.81 0.00 0.00 179.45 176.16 2kiv h ALA 93 N 0.79 0.19 -0.49 5.00 0.00 -1.31 -1.22 119.26 122.22 2kiv h ALA 93 Ca 0.01 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2kiv h ALA 93 Cb 0.14 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2kiv h ALA 93 CO -0.02 -0.39 0.18 0.74 0.00 0.00 0.00 179.25 179.75 2kiv h PHE 94 N 0.12 0.31 0.92 0.00 -1.00 -1.05 0.21 116.94 116.44 2kiv h PHE 94 Ca 0.09 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.85 2kiv h PHE 94 Cb 0.08 -0.07 0.01 0.00 3.61 0.00 0.00 35.95 39.58 2kiv h PHE 94 CO -0.14 0.10 -0.48 -0.07 -1.61 0.00 0.00 178.31 176.11 2kiv h LEU 95 N 0.35 -1.17 -2.32 1.54 3.38 -0.80 0.34 115.31 116.63 2kiv h LEU 95 Ca 0.23 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.29 2kiv h LEU 95 Cb 0.24 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2kiv h LEU 95 CO -0.23 -0.79 0.14 0.16 0.09 0.00 0.00 178.44 177.81 2kiv h ILE 96 N -1.29 0.45 0.00 1.22 3.07 -1.06 0.25 117.51 120.16 2kiv h ILE 96 Ca -0.13 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.28 2kiv h ILE 96 Cb 1.00 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 2kiv h ILE 96 CO 0.18 0.00 -0.12 0.78 -1.05 0.00 0.00 178.15 177.94 2kiv h ASN 97 N 0.00 0.00 -0.25 2.16 2.35 -0.03 -3.48 115.58 116.33 2kiv h ASN 97 Ca 0.06 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2kiv h ASN 97 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2kiv h ASN 97 CO -0.00 0.01 0.00 0.61 -1.65 0.00 0.00 177.43 176.40 2kiv n GLY 98 N 1.20 1.10 2.07 2.83 0.00 0.87 -4.99 105.19 108.27 2kiv n GLY 98 Ca 0.04 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 2kiv n GLY 98 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kiv n TYR 99 N -1.14 2.54 0.03 1.61 4.01 0.10 -4.69 117.16 119.62 2kiv n TYR 99 Ca 0.00 -2.06 -0.04 0.00 -0.16 0.00 0.00 57.90 55.63 2kiv n TYR 99 Cb 0.17 -1.02 -0.03 0.00 -0.31 0.00 0.00 39.34 38.15 2kiv n TYR 99 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2kiv h THR 100 N 0.89 0.00 -4.25 -0.72 1.35 -1.86 -3.43 112.91 104.89 2kiv h THR 100 Ca 0.50 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.84 2kiv h THR 100 Cb 1.76 0.00 0.20 0.00 -1.73 0.00 0.00 68.15 68.37 2kiv h THR 100 CO 1.07 0.00 0.24 -0.24 -0.25 0.00 0.00 175.52 176.34 2kiv n SER 101 N -3.19 0.48 -0.11 5.36 2.88 -1.26 -4.70 113.62 113.07 2kiv n SER 101 Ca -0.02 0.46 -0.16 0.00 -1.33 0.00 0.00 58.87 57.81 2kiv n SER 101 Cb 0.11 -1.49 -0.13 0.00 -0.75 0.00 0.00 64.21 61.95 2kiv n SER 101 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2kiv n MET 102 N -4.04 0.67 -0.12 -1.46 1.56 -1.26 -4.36 117.12 108.10 2kiv n MET 102 Ca 0.12 0.12 0.08 0.00 -0.27 0.00 0.00 57.70 57.75 2kiv n MET 102 Cb 0.52 -1.54 0.42 0.00 2.15 0.00 0.00 33.22 34.77 2kiv n MET 102 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 2kiv h ASP 103 N 0.00 0.52 0.00 6.12 3.32 -1.97 0.18 116.42 124.60 2kiv h ASP 103 Ca -0.56 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.50 2kiv h ASP 103 Cb 2.00 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 41.45 2kiv h ASP 103 CO -0.04 0.33 -0.00 0.17 -1.72 0.00 0.00 179.24 177.98 2kiv h LEU 104 N 0.59 0.00 -2.23 1.55 8.10 -1.98 -0.60 115.31 120.74 2kiv h LEU 104 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.27 2kiv h LEU 104 Cb 0.33 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.55 2kiv h LEU 104 CO -0.08 0.00 0.00 -0.07 -4.11 0.00 0.00 178.44 174.18 2kiv h LEU 105 N 0.00 0.00 -3.57 0.17 3.38 -1.18 0.44 115.31 114.55 2kiv h LEU 105 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2kiv h LEU 105 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2kiv h LEU 105 CO 0.00 0.00 0.03 1.17 0.09 0.00 0.00 178.44 179.73 2kiv n LYS 106 N -2.76 4.59 -0.01 1.13 4.81 -0.23 -4.20 118.16 121.48 2kiv n LYS 106 Ca -0.02 -3.14 -0.01 0.00 -0.87 0.00 0.00 58.31 54.27 2kiv n LYS 106 Cb 0.09 -2.23 -0.03 0.00 0.02 0.00 0.00 35.03 32.88 2kiv n LYS 106 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kiv n LYS 107 N 0.41 2.87 -2.68 1.64 4.01 0.14 -5.04 118.16 119.51 2kiv n LYS 107 Ca 0.29 -0.01 -0.32 0.00 -0.51 0.00 0.00 58.31 57.76 2kiv n LYS 107 Cb 1.20 -1.08 -0.05 0.00 -0.51 0.00 0.00 35.03 34.59 2kiv n LYS 107 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 2kiv s ILE 108 N -2.11 4.54 0.55 -0.18 -4.36 -1.21 -5.09 121.20 113.35 2kiv s ILE 108 Ca -0.01 1.20 0.06 0.00 -0.26 0.00 0.00 60.65 61.63 2kiv s ILE 108 Cb 0.01 -3.67 0.05 0.00 1.25 0.00 0.00 42.46 40.10 2kiv s ILE 108 CO 0.13 -0.49 0.45 0.00 0.24 0.00 0.00 174.94 175.28 2kiv s ALA 109 N -2.37 4.49 0.07 2.27 0.00 -1.26 -4.95 121.76 120.01 2kiv s ALA 109 Ca 0.58 -1.34 -0.26 0.00 0.00 0.00 0.00 51.96 50.94 2kiv s ALA 109 Cb -0.10 -0.81 -0.12 0.00 0.00 0.00 0.00 23.12 22.09 2kiv s ALA 109 CO 0.24 -0.51 1.42 0.93 0.00 0.00 0.00 175.76 177.84 2kiv h GLU 110 N 0.66 -0.60 -0.71 0.00 5.08 -1.99 -0.53 114.58 116.49 2kiv h GLU 110 Ca -0.36 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.19 2kiv h GLU 110 Cb 1.30 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 30.59 2kiv h GLU 110 CO 0.55 -0.40 0.21 -0.24 -1.00 0.00 0.00 179.01 178.13 2kiv h VAL 111 N -0.62 0.59 -0.72 3.13 3.04 -1.97 0.15 116.25 119.85 2kiv h VAL 111 Ca -0.02 -0.11 0.08 0.00 -1.01 0.00 0.00 66.70 65.65 2kiv h VAL 111 Cb 0.60 0.23 -0.07 0.00 -2.01 0.00 0.00 31.29 30.04 2kiv h VAL 111 CO -0.18 0.06 0.37 -0.33 -1.01 0.00 0.00 177.57 176.49 2kiv h GLU 112 N 0.33 0.63 -0.32 4.17 4.39 -1.82 0.39 114.58 122.35 2kiv h GLU 112 Ca 0.40 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.95 2kiv h GLU 112 Cb 0.63 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2kiv h GLU 112 CO -0.45 0.42 -0.27 1.25 -1.16 0.00 0.00 179.01 178.80 2kiv h LEU 113 N 0.65 0.66 -0.30 1.33 5.85 0.59 0.36 115.31 124.44 2kiv h LEU 113 Ca 0.34 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2kiv h LEU 113 Cb 0.32 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2kiv h LEU 113 CO -0.24 0.90 0.00 0.40 -0.34 0.00 0.00 178.44 179.15 2kiv h ILE 114 N 0.56 0.00 0.00 4.05 2.04 0.04 0.28 117.51 124.47 2kiv h ILE 114 Ca 0.07 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.26 2kiv h ILE 114 Cb 0.74 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 2kiv h ILE 114 CO 0.06 0.00 -1.93 0.59 0.00 0.00 0.00 178.15 176.87 2kiv n ASN 115 N -2.74 0.07 -0.08 1.72 4.13 0.13 -3.34 115.26 115.14 2kiv n ASN 115 Ca 0.04 -0.05 -0.13 0.00 1.68 0.00 0.00 54.58 56.12 2kiv n ASN 115 Cb 0.43 1.92 -0.04 0.00 -1.54 0.00 0.00 39.78 40.55 2kiv n ASN 115 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2kiv n VAL 116 N -2.22 1.39 0.23 2.41 0.31 0.12 -4.64 118.33 115.93 2kiv n VAL 116 Ca -0.03 0.02 0.12 0.00 -0.01 0.00 0.00 64.34 64.44 2kiv n VAL 116 Cb 0.56 -2.08 0.13 0.00 -0.91 0.00 0.00 33.84 31.53 2kiv n VAL 116 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2kiv h LEU 117 N -0.82 0.00 1.16 7.52 -0.00 -0.69 -3.48 115.31 119.01 2kiv h LEU 117 Ca -0.19 -0.02 -0.33 0.00 -0.00 0.00 0.00 57.88 57.34 2kiv h LEU 117 Cb 1.04 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.74 2kiv h LEU 117 CO -0.11 0.01 -0.48 0.29 -0.00 0.00 0.00 178.44 178.15 2kiv n LYS 118 N -2.81 -3.28 -2.64 1.13 4.76 -0.41 -4.92 118.16 109.99 2kiv n LYS 118 Ca 0.03 0.76 -0.42 0.00 -2.87 0.00 0.00 58.31 55.81 2kiv n LYS 118 Cb 0.52 -5.24 -0.03 0.00 -1.84 0.00 0.00 35.03 28.44 2kiv n LYS 118 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2kiv s ILE 119 N -3.00 4.04 -0.17 -0.18 1.01 -1.23 -4.74 121.20 116.92 2kiv s ILE 119 Ca 0.18 -0.59 0.17 0.00 0.00 0.00 0.00 60.65 60.41 2kiv s ILE 119 Cb -0.08 -4.95 -0.25 0.00 0.01 0.00 0.00 42.46 37.19 2kiv s ILE 119 CO 0.22 -1.81 0.19 0.59 0.00 0.00 0.00 174.94 174.13 2kiv n ASN 120 N 8.53 0.16 -4.63 3.58 3.02 -1.26 -4.66 115.26 120.00 2kiv n ASN 120 Ca 0.22 0.08 -0.49 0.00 -0.03 0.00 0.00 54.58 54.35 2kiv n ASN 120 Cb 0.50 0.82 -0.05 0.00 -0.61 0.00 0.00 39.78 40.44 2kiv n ASN 120 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2kiv n LEU 121 N -2.79 2.44 0.27 3.41 7.94 -1.26 -4.84 117.00 122.16 2kiv n LEU 121 Ca -0.29 1.10 -0.16 0.00 -1.11 0.00 0.00 56.01 55.54 2kiv n LEU 121 Cb 1.13 -1.31 -0.08 0.00 0.53 0.00 0.00 43.42 43.68 2kiv n LEU 121 CO 0.43 -0.63 0.69 0.40 -1.11 0.00 0.00 177.39 177.18 2kiv h ILE 122 N 3.57 0.47 -0.06 1.96 1.08 -1.88 0.25 117.51 122.89 2kiv h ILE 122 Ca -0.46 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.04 2kiv h ILE 122 Cb 1.29 0.47 -0.06 0.00 -3.07 0.00 0.00 36.82 35.45 2kiv h ILE 122 CO 0.84 0.00 -0.48 1.23 -0.69 0.00 0.00 178.15 179.06 2kiv h GLY 123 N -0.68 -0.91 0.96 5.37 0.00 -0.88 0.29 103.07 107.22 2kiv h GLY 123 Ca -0.06 0.59 0.01 0.00 0.00 0.00 0.00 47.33 47.87 2kiv h GLY 123 CO 0.08 -0.23 0.27 0.45 0.00 0.00 0.00 176.54 177.10 2kiv h HIS 124 N -0.58 0.50 0.16 5.60 3.86 -1.78 0.84 115.15 123.74 2kiv h HIS 124 Ca 0.04 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2kiv h HIS 124 Cb 0.68 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 2kiv h HIS 124 CO -0.50 0.31 -0.12 -0.09 0.86 0.00 0.00 177.93 178.39 2kiv h ARG 125 N 0.54 -0.26 -0.85 2.45 2.43 0.06 -1.27 114.38 117.48 2kiv h ARG 125 Ca 0.16 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.51 2kiv h ARG 125 Cb -0.04 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 29.47 2kiv h ARG 125 CO -0.05 -0.17 0.42 -0.22 -1.51 0.00 0.00 179.97 178.43 2kiv h LYS 126 N -0.27 0.55 0.15 0.20 1.63 -0.47 0.17 116.57 118.53 2kiv h LYS 126 Ca -0.02 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2kiv h LYS 126 Cb 0.22 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.69 2kiv h LYS 126 CO 0.01 0.36 -0.44 0.00 -3.45 0.00 0.00 179.45 175.93 2kiv h ARG 127 N 0.56 -0.64 -0.50 1.90 3.08 -0.65 0.79 114.38 118.93 2kiv h ARG 127 Ca 0.48 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.56 2kiv h ARG 127 Cb 0.72 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 2kiv h ARG 127 CO -0.40 -0.42 0.27 0.82 -1.07 0.00 0.00 179.97 179.17 2kiv h ILE 128 N -0.66 1.18 -0.95 2.04 2.04 -0.71 0.10 117.51 120.54 2kiv h ILE 128 Ca -0.01 -0.47 0.17 0.00 1.00 0.00 0.00 64.86 65.55 2kiv h ILE 128 Cb 0.65 0.57 -0.10 0.00 -0.74 0.00 0.00 36.82 37.19 2kiv h ILE 128 CO -0.21 0.19 0.54 0.25 0.00 0.00 0.00 178.15 178.92 2kiv h LEU 129 N 0.67 0.69 0.03 1.44 6.46 -0.34 0.85 115.31 125.12 2kiv h LEU 129 Ca 0.18 0.09 -0.24 0.00 -0.12 0.00 0.00 57.88 57.79 2kiv h LEU 129 Cb 0.07 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 2kiv h LEU 129 CO -0.03 0.26 -1.12 0.00 -0.62 0.00 0.00 178.44 176.94 2kiv h ALA 130 N 1.61 0.23 -0.10 1.25 0.00 -0.46 0.17 119.26 121.96 2kiv h ALA 130 Ca 0.53 -0.87 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2kiv h ALA 130 Cb 0.79 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2kiv h ALA 130 CO -0.37 1.05 -0.20 1.03 0.00 0.00 0.00 179.25 180.76 2kiv h SER 131 N 0.06 0.16 0.03 0.00 0.87 0.78 -3.22 113.55 112.24 2kiv h SER 131 Ca -0.08 -0.04 -0.39 0.00 -1.23 0.00 0.00 61.79 60.05 2kiv h SER 131 Cb 1.85 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 63.71 2kiv h SER 131 CO 0.17 0.38 -2.32 0.18 -0.53 0.00 0.00 176.83 174.71 2kiv n LEU 132 N -4.23 2.76 0.00 2.23 4.77 0.12 -5.08 117.00 117.57 2kiv n LEU 132 Ca -0.01 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2kiv n LEU 132 Cb 0.30 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 2kiv n LEU 132 CO 0.38 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 2kiv n GLY 133 N 2.07 4.56 0.09 -0.72 0.00 0.58 -5.01 105.19 106.75 2kiv n GLY 133 Ca -0.43 -0.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.79 2kiv n GLY 133 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kiv n ASP 134 N 0.00 0.62 0.00 1.61 2.03 -1.19 -4.72 116.55 114.90 2kiv n ASP 134 Ca 0.00 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.58 2kiv n ASP 134 Cb 0.00 0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2kiv n ASP 134 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14