#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 2.14 -0.08 5.55 2.00 -1.26 -5.13 119.66 122.89 2kiv s GLN 2 Ca 0.00 -0.92 0.05 0.00 -2.00 0.00 0.00 55.36 52.48 2kiv s GLN 2 Cb 0.00 -2.18 -0.01 0.00 0.80 0.00 0.00 33.01 31.62 2kiv s GLN 2 CO 0.00 0.56 -0.22 0.99 -0.50 0.00 0.00 175.29 176.11 2kiv s THR 3 N -0.82 2.25 0.38 -0.34 2.01 -1.26 -4.10 115.64 113.76 2kiv s THR 3 Ca 0.13 -0.98 0.14 0.00 0.31 0.00 0.00 61.69 61.29 2kiv s THR 3 Cb -0.10 -1.85 0.36 0.00 0.01 0.00 0.00 72.50 70.91 2kiv s THR 3 CO 0.03 0.56 1.82 0.58 -0.69 0.00 0.00 174.62 176.92 2kiv h VAL 4 N 5.24 0.68 -0.59 3.82 2.07 -1.93 -0.16 116.25 125.38 2kiv h VAL 4 Ca -0.28 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 2kiv h VAL 4 Cb 1.20 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2kiv h VAL 4 CO 0.48 0.10 0.22 1.23 0.02 0.00 0.00 177.57 179.62 2kiv h GLY 5 N 0.53 0.97 0.69 2.17 0.00 -1.95 0.22 103.07 105.70 2kiv h GLY 5 Ca 0.52 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 2kiv h GLY 5 CO -0.25 0.51 -0.07 -1.61 0.00 0.00 0.00 176.54 175.11 2kiv h GLN 6 N 0.83 0.24 -0.38 4.80 5.75 -1.50 -0.84 115.11 124.01 2kiv h GLN 6 Ca 0.20 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 2kiv h GLN 6 Cb 0.23 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 2kiv h GLN 6 CO -0.01 0.62 0.12 2.35 -2.65 0.00 0.00 178.83 179.25 2kiv h TRP 7 N -0.14 0.61 0.13 3.99 7.01 -1.18 0.20 115.95 126.56 2kiv h TRP 7 Ca 0.02 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 2kiv h TRP 7 Cb 0.56 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 2kiv h TRP 7 CO 0.08 0.58 -0.06 1.25 -2.79 0.00 0.00 178.44 177.49 2kiv h LEU 8 N 0.46 -0.15 -1.59 0.65 5.85 -0.59 -0.69 115.31 119.26 2kiv h LEU 8 Ca 0.12 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2kiv h LEU 8 Cb 0.26 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2kiv h LEU 8 CO -0.00 0.00 -0.22 1.05 -0.34 0.00 0.00 178.44 178.93 2kiv h GLU 9 N -0.30 0.00 -0.18 1.25 4.11 -1.11 0.26 114.58 118.61 2kiv h GLU 9 Ca -0.02 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.29 2kiv h GLU 9 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2kiv h GLU 9 CO 0.03 0.22 -0.36 1.03 0.07 0.00 0.00 179.01 180.01 2kiv h SER 10 N 0.00 0.63 0.80 3.06 0.87 -0.25 -3.26 113.55 115.39 2kiv h SER 10 Ca -0.00 -0.55 -0.24 0.00 -1.23 0.00 0.00 61.79 59.77 2kiv h SER 10 Cb 0.46 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2kiv h SER 10 CO 0.03 1.06 -1.10 0.16 -0.53 0.00 0.00 176.83 176.45 2kiv h ILE 11 N 0.22 1.60 0.00 2.23 3.07 -0.88 -3.49 117.51 120.26 2kiv h ILE 11 Ca 0.01 -3.19 0.00 0.00 1.55 0.00 0.00 64.86 63.22 2kiv h ILE 11 Cb 0.95 2.86 0.00 0.00 -0.27 0.00 0.00 36.82 40.36 2kiv h ILE 11 CO 0.08 0.92 0.00 0.61 -1.05 0.00 0.00 178.15 178.71 2kiv n GLY 12 N 1.39 3.56 3.20 0.16 0.00 0.89 -5.00 105.19 109.38 2kiv n GLY 12 Ca -0.04 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 2.46 -0.91 0.99 2.01 -1.24 -4.47 118.68 117.52 2kiv s LEU 13 Ca 0.00 -0.90 -0.23 0.00 0.01 0.00 0.00 54.13 53.02 2kiv s LEU 13 Cb 0.00 -0.30 -0.14 0.00 0.01 0.00 0.00 46.19 45.76 2kiv s LEU 13 CO 0.00 -0.30 1.92 -0.81 1.01 0.00 0.00 176.35 178.16 2kiv n PRO 14 N 0.26 1.49 0.00 1.29 -0.04 -1.26 -4.23 135.00 132.51 2kiv n PRO 14 Ca -0.14 -2.07 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 2kiv n PRO 14 Cb 0.59 -3.23 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 2kiv n PRO 14 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2kiv n GLN 15 N 7.55 2.17 0.00 0.54 1.13 -1.26 -4.71 117.38 122.81 2kiv n GLN 15 Ca 0.48 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 2kiv n GLN 15 Cb 0.43 -0.62 0.00 0.00 0.11 0.00 0.00 30.24 30.16 2kiv n GLN 15 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2kiv n TYR 16 N -0.36 0.00 0.30 1.08 4.01 -1.26 -4.86 117.16 116.07 2kiv n TYR 16 Ca 0.00 -0.06 -0.15 0.00 -0.16 0.00 0.00 57.90 57.53 2kiv n TYR 16 Cb 0.03 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 38.98 2kiv n TYR 16 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2kiv h GLU 17 N 0.00 -0.86 -0.52 -0.72 4.81 -1.87 0.30 114.58 115.73 2kiv h GLU 17 Ca 0.00 0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.39 2kiv h GLU 17 Cb 0.41 0.20 -0.10 0.00 0.63 0.00 0.00 28.75 29.89 2kiv h GLU 17 CO 0.00 -0.57 -0.14 -0.97 -0.73 0.00 0.00 179.01 176.60 2kiv h ASN 18 N -0.89 -0.51 -0.24 1.04 -1.24 -1.93 -0.74 115.58 111.07 2kiv h ASN 18 Ca -0.07 0.16 0.02 0.00 0.71 0.00 0.00 56.30 57.12 2kiv h ASN 18 Cb 0.73 0.33 -0.02 0.00 0.73 0.00 0.00 38.32 40.09 2kiv h ASN 18 CO 0.04 -0.18 0.10 0.45 -1.29 0.00 0.00 177.43 176.55 2kiv h HIS 19 N -0.01 0.18 0.19 0.67 3.86 -1.86 0.20 115.15 118.38 2kiv h HIS 19 Ca 0.25 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.47 2kiv h HIS 19 Cb 0.39 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 2kiv h HIS 19 CO -0.44 0.10 -0.27 -0.07 0.86 0.00 0.00 177.93 178.10 2kiv h LEU 20 N 0.22 -0.77 -0.59 2.43 4.07 0.79 0.33 115.31 121.79 2kiv h LEU 20 Ca 0.10 0.07 0.08 0.00 0.08 0.00 0.00 57.88 58.21 2kiv h LEU 20 Cb 0.05 0.27 -0.07 0.00 1.08 0.00 0.00 40.66 41.99 2kiv h LEU 20 CO -0.09 -0.33 0.23 0.00 -1.08 0.00 0.00 178.44 177.18 2kiv h MET 21 N -0.48 0.42 0.00 1.13 -0.00 0.32 0.55 114.93 116.87 2kiv h MET 21 Ca -0.02 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 2kiv h MET 21 Cb 0.44 -0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 31.94 2kiv h MET 21 CO -0.08 0.28 -0.02 0.00 -0.00 0.00 0.00 176.91 177.08 2kiv h ALA 22 N 1.39 1.59 -0.47 -3.00 0.00 -0.33 -0.03 119.26 118.41 2kiv h ALA 22 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2kiv h ALA 22 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kiv h ALA 22 CO -0.28 0.03 0.00 -1.71 0.00 0.00 0.00 179.25 177.30 2kiv n ASN 23 N -3.97 4.76 0.00 0.00 2.85 0.11 -4.88 115.26 114.13 2kiv n ASN 23 Ca -0.03 -2.72 0.00 0.00 -0.11 0.00 0.00 54.58 51.72 2kiv n ASN 23 Cb 0.11 -0.64 0.00 0.00 1.24 0.00 0.00 39.78 40.49 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 0.54 3.17 2.71 8.20 0.00 -0.03 -0.11 105.19 119.67 2kiv n GLY 24 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.43 3.21 -0.04 1.61 3.72 0.17 -4.36 117.46 120.34 2kiv n PHE 25 Ca 0.00 -2.87 0.01 0.00 -0.05 0.00 0.00 57.45 54.54 2kiv n PHE 25 Cb 0.00 -2.46 -0.13 0.00 -0.94 0.00 0.00 39.48 35.96 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 5.89 1.18 -4.23 4.37 5.75 -1.26 -0.98 116.55 127.26 2kiv n ASP 26 Ca 0.55 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.99 2kiv n ASP 26 Cb 0.37 1.36 -0.15 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 -4.37 3.69 0.57 -1.12 3.04 -1.26 -4.27 114.94 111.23 2kiv s ASN 27 Ca -0.07 -0.50 0.30 0.00 0.04 0.00 0.00 52.86 52.63 2kiv s ASN 27 Cb 0.08 -1.59 1.45 0.00 -1.54 0.00 0.00 41.25 39.65 2kiv s ASN 27 CO 0.67 0.03 1.85 0.58 -3.04 0.00 0.00 177.10 177.19 2kiv h VAL 28 N 5.76 0.40 -0.92 -5.21 2.07 -1.91 0.32 116.25 116.76 2kiv h VAL 28 Ca -0.40 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.25 2kiv h VAL 28 Cb 1.16 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 31.40 2kiv h VAL 28 CO 0.60 0.00 0.55 -0.61 0.02 0.00 0.00 177.57 178.13 2kiv h GLN 29 N 0.00 0.82 -0.02 1.57 4.15 -1.94 0.20 115.11 119.89 2kiv h GLN 29 Ca 0.30 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.68 2kiv h GLN 29 Cb 1.47 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.98 2kiv h GLN 29 CO -0.00 0.54 0.04 0.00 -1.93 0.00 0.00 178.83 177.48 2kiv h ALA 30 N 1.53 1.40 0.00 3.38 0.00 -1.33 -0.44 119.26 123.80 2kiv h ALA 30 Ca 0.47 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 2kiv h ALA 30 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kiv h ALA 30 CO -0.29 -0.05 -0.16 0.52 0.00 0.00 0.00 179.25 179.27 2kiv h MET 31 N 0.00 0.00 0.00 0.00 2.86 -0.72 -3.45 114.93 113.62 2kiv h MET 31 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2kiv h MET 31 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2kiv h MET 31 CO -0.00 0.16 0.00 0.41 1.06 0.00 0.00 176.91 178.54 2kiv n GLY 32 N -0.80 1.96 3.06 8.32 0.00 -0.18 -3.13 105.19 114.42 2kiv n GLY 32 Ca -0.02 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 2kiv n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kiv s SER 33 N -4.00 4.86 -1.45 1.61 1.04 -1.26 -4.67 113.70 109.83 2kiv s SER 33 Ca 0.00 -1.97 -0.01 0.00 0.48 0.00 0.00 55.95 54.45 2kiv s SER 33 Cb 0.00 -1.68 0.00 0.00 0.10 0.00 0.00 66.02 64.44 2kiv s SER 33 CO 0.00 -0.39 0.14 0.59 0.98 0.00 0.00 173.24 174.56 2kiv n ASN 34 N 4.39 -5.21 -0.07 7.02 4.13 -1.25 -4.92 115.26 119.35 2kiv n ASN 34 Ca -0.01 -0.08 -0.13 0.00 1.68 0.00 0.00 54.58 56.04 2kiv n ASN 34 Cb 0.42 -4.23 -0.12 0.00 -1.54 0.00 0.00 39.78 34.31 2kiv n ASN 34 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2kiv h VAL 35 N -0.32 1.70 -1.16 2.41 2.07 -1.81 -3.44 116.25 115.69 2kiv h VAL 35 Ca -0.43 -2.27 -0.67 0.00 0.82 0.00 0.00 66.70 64.16 2kiv h VAL 35 Cb 1.31 3.21 -0.02 0.00 -1.52 0.00 0.00 31.29 34.27 2kiv h VAL 35 CO 0.49 0.58 1.42 0.80 0.02 0.00 0.00 177.57 180.87 2kiv n MET 36 N -4.62 1.15 -3.43 1.57 0.00 -1.26 -4.93 117.12 105.60 2kiv n MET 36 Ca -0.09 0.31 -0.21 0.00 0.00 0.00 0.00 57.70 57.71 2kiv n MET 36 Cb 0.45 -2.51 -0.01 0.00 0.00 0.00 0.00 33.22 31.15 2kiv n MET 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2kiv s GLU 37 N 6.19 2.52 0.27 2.12 2.12 -1.26 -4.95 118.70 125.72 2kiv s GLU 37 Ca 1.09 -1.56 -0.03 0.00 0.36 0.00 0.00 54.97 54.83 2kiv s GLU 37 Cb -0.82 -2.45 0.39 0.00 0.26 0.00 0.00 34.13 31.51 2kiv s GLU 37 CO 0.48 -0.36 1.91 0.38 -0.54 0.00 0.00 175.26 177.13 2kiv h ASP 38 N 0.80 1.04 -0.72 -1.70 2.03 -1.98 -1.16 116.42 114.73 2kiv h ASP 38 Ca -0.39 -0.01 0.07 0.00 -0.73 0.00 0.00 57.03 55.97 2kiv h ASP 38 Cb 1.28 -0.23 -0.06 0.00 -0.83 0.00 0.00 39.33 39.48 2kiv h ASP 38 CO 0.53 0.70 0.41 1.56 -1.03 0.00 0.00 179.24 181.40 2kiv h GLN 39 N 1.20 0.71 0.30 4.15 4.20 -1.97 0.27 115.11 123.97 2kiv h GLN 39 Ca 0.39 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.04 2kiv h GLN 39 Cb 0.04 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.66 2kiv h GLN 39 CO -0.13 0.47 -0.14 -0.44 -0.67 0.00 0.00 178.83 177.92 2kiv h ASP 40 N 0.74 -0.34 -0.11 1.46 3.32 -1.78 0.29 116.42 119.98 2kiv h ASP 40 Ca 0.32 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.22 2kiv h ASP 40 Cb 0.21 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2kiv h ASP 40 CO -0.19 0.12 0.19 0.17 -1.72 0.00 0.00 179.24 177.81 2kiv h LEU 41 N -0.93 0.00 0.00 1.55 8.10 -1.10 0.10 115.31 123.03 2kiv h LEU 41 Ca -0.04 0.00 -0.28 0.00 0.11 0.00 0.00 57.88 57.67 2kiv h LEU 41 Cb 0.51 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.68 2kiv h LEU 41 CO 0.07 0.00 -1.82 -0.11 -4.11 0.00 0.00 178.44 172.47 2kiv n LEU 42 N -3.47 0.65 0.05 0.17 7.94 0.93 -3.61 117.00 119.65 2kiv n LEU 42 Ca 0.00 0.30 -0.13 0.00 -1.11 0.00 0.00 56.01 55.07 2kiv n LEU 42 Cb 0.29 0.23 -0.03 0.00 0.53 0.00 0.00 43.42 44.44 2kiv n LEU 42 CO 0.23 0.36 0.24 -0.08 -1.11 0.00 0.00 177.39 177.03 2kiv h GLU 43 N 0.00 0.45 0.00 1.96 4.81 0.16 -3.37 114.58 118.60 2kiv h GLU 43 Ca -0.32 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.48 2kiv h GLU 43 Cb 1.97 0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.46 2kiv h GLU 43 CO 0.06 1.08 0.00 -0.89 -0.73 0.00 0.00 179.01 178.53 2kiv n ILE 44 N -3.79 0.00 0.00 2.32 5.41 0.14 -4.94 119.36 118.50 2kiv n ILE 44 Ca -0.06 1.28 0.00 0.00 1.00 0.00 0.00 62.75 64.96 2kiv n ILE 44 Cb 0.79 -2.18 0.00 0.00 -0.71 0.00 0.00 39.64 37.53 2kiv n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kiv n GLY 45 N -0.82 0.00 0.18 7.39 0.00 -1.26 -5.02 105.19 105.67 2kiv n GLY 45 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2kiv n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kiv n ILE 46 N 0.00 0.02 0.32 -0.61 2.08 -1.24 -3.81 119.36 116.11 2kiv n ILE 46 Ca 0.00 -0.10 0.20 0.00 0.56 0.00 0.00 62.75 63.41 2kiv n ILE 46 Cb 0.00 -0.12 1.07 0.00 -0.75 0.00 0.00 39.64 39.84 2kiv n ILE 46 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2kiv h LEU 47 N 0.84 0.00 -1.35 1.39 3.38 -1.88 -1.98 115.31 115.71 2kiv h LEU 47 Ca 0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.18 2kiv h LEU 47 Cb 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 2kiv h LEU 47 CO 0.00 0.00 0.62 0.78 0.09 0.00 0.00 178.44 179.93 2kiv h ASN 48 N 0.00 0.52 -5.47 -0.43 -0.26 -2.01 -3.43 115.58 104.50 2kiv h ASN 48 Ca 0.01 0.06 -0.20 0.00 -0.56 0.00 0.00 56.30 55.62 2kiv h ASN 48 Cb 0.17 -0.03 -0.15 0.00 -1.06 0.00 0.00 38.32 37.26 2kiv h ASN 48 CO -0.00 0.18 -0.63 -0.44 -1.06 0.00 0.00 177.43 175.48 2kiv s SER 49 N -5.50 0.25 -1.20 5.81 0.01 -0.75 -5.08 113.70 107.25 2kiv s SER 49 Ca -0.09 -1.25 -0.10 0.00 1.31 0.00 0.00 55.95 55.82 2kiv s SER 49 Cb 0.24 0.33 0.21 0.00 0.21 0.00 0.00 66.02 67.01 2kiv s SER 49 CO 0.79 -0.77 1.56 0.61 0.41 0.00 0.00 173.24 175.84 2kiv n GLY 50 N -0.15 4.36 0.25 3.44 0.00 -1.26 -4.61 105.19 107.22 2kiv n GLY 50 Ca -0.03 -2.26 0.07 0.00 0.00 0.00 0.00 46.02 43.80 2kiv n GLY 50 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kiv n HIS 51 N 3.70 0.21 0.17 1.61 8.25 -1.26 -4.77 115.22 123.12 2kiv n HIS 51 Ca 0.34 -0.84 -0.15 0.00 -0.26 0.00 0.00 57.72 56.80 2kiv n HIS 51 Cb 0.38 -0.15 -0.08 0.00 1.12 0.00 0.00 29.99 31.26 2kiv n HIS 51 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kiv h ARG 52 N 0.48 -0.72 -0.52 -0.41 3.08 -1.90 -0.19 114.38 114.21 2kiv h ARG 52 Ca 0.00 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 2kiv h ARG 52 Cb 0.97 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 2kiv h ARG 52 CO 0.04 -0.48 0.30 0.37 -1.07 0.00 0.00 179.97 179.13 2kiv h GLN 53 N -0.75 0.70 0.11 0.04 4.15 -1.98 -0.05 115.11 117.32 2kiv h GLN 53 Ca -0.01 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 2kiv h GLN 53 Cb 0.72 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.26 2kiv h GLN 53 CO -0.17 0.50 -0.05 -0.09 -1.93 0.00 0.00 178.83 177.08 2kiv h ARG 54 N 0.71 -0.14 -0.99 1.69 9.65 -1.69 0.79 114.38 124.40 2kiv h ARG 54 Ca 0.19 0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.18 2kiv h ARG 54 Cb -0.01 0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 28.52 2kiv h ARG 54 CO -0.03 -0.09 0.62 0.82 2.80 0.00 0.00 179.97 184.09 2kiv h ILE 55 N -0.14 0.95 -0.17 1.20 2.04 -1.05 -0.81 117.51 119.52 2kiv h ILE 55 Ca -0.01 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.51 2kiv h ILE 55 Cb 0.11 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 2kiv h ILE 55 CO 0.02 0.18 0.06 -0.07 0.00 0.00 0.00 178.15 178.35 2kiv h LEU 56 N 1.01 0.06 -0.60 1.44 3.38 -0.97 0.20 115.31 119.83 2kiv h LEU 56 Ca 0.48 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.43 2kiv h LEU 56 Cb 0.42 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2kiv h LEU 56 CO -0.25 0.06 0.24 -0.61 0.09 0.00 0.00 178.44 177.98 2kiv h GLN 57 N 0.14 0.90 0.38 1.13 5.75 -0.06 0.14 115.11 123.48 2kiv h GLN 57 Ca 0.07 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 2kiv h GLN 57 Cb 0.04 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.45 2kiv h GLN 57 CO -0.08 0.77 -0.18 0.00 -2.65 0.00 0.00 178.83 176.69 2kiv h ALA 58 N 1.09 -0.51 0.00 3.38 0.00 -0.84 0.09 119.26 122.47 2kiv h ALA 58 Ca 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2kiv h ALA 58 Cb 0.20 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kiv h ALA 58 CO -0.02 -0.70 -0.15 0.97 0.00 0.00 0.00 179.25 179.35 2kiv h ILE 59 N -0.67 0.92 -0.07 0.00 6.09 -0.58 0.47 117.51 123.68 2kiv h ILE 59 Ca -0.05 -0.55 -0.22 0.00 -1.37 0.00 0.00 64.86 62.67 2kiv h ILE 59 Cb 0.48 1.31 0.01 0.00 0.47 0.00 0.00 36.82 39.09 2kiv h ILE 59 CO 0.08 0.15 -0.85 -0.61 -3.07 0.00 0.00 178.15 173.86 2kiv h GLN 60 N 0.00 0.58 0.00 2.19 5.75 -0.50 -3.19 115.11 119.94 2kiv h GLN 60 Ca -0.00 -0.52 0.00 0.00 -0.15 0.00 0.00 58.65 57.97 2kiv h GLN 60 Cb 0.30 0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.98 2kiv h GLN 60 CO 0.02 1.15 -0.61 1.47 -2.65 0.00 0.00 178.83 178.21 2kiv n LEU 61 N -3.85 0.58 0.01 -2.39 -0.00 -0.00 -4.30 117.00 107.04 2kiv n LEU 61 Ca -0.07 0.07 -0.15 0.00 -0.00 0.00 0.00 56.01 55.86 2kiv n LEU 61 Cb 0.78 -0.21 -0.10 0.00 -0.00 0.00 0.00 43.42 43.89 2kiv n LEU 61 CO 0.52 0.06 0.51 -0.07 -0.00 0.00 0.00 177.39 178.40 2kiv h LEU 62 N 0.00 -1.71 -0.19 1.47 3.38 -0.05 0.58 115.31 118.79 2kiv h LEU 62 Ca 0.00 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2kiv h LEU 62 Cb 0.61 0.66 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2kiv h LEU 62 CO 0.00 -0.49 0.00 -0.81 0.09 0.00 0.00 178.44 177.23 2kiv n PRO 63 N -5.42 0.05 0.20 1.13 -0.04 -1.26 -2.53 135.00 127.13 2kiv n PRO 63 Ca -0.06 0.30 0.15 0.00 -0.04 0.00 0.00 63.50 63.84 2kiv n PRO 63 Cb 0.38 -1.60 0.62 0.00 -0.04 0.00 0.00 33.50 32.87 2kiv n PRO 63 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2kiv h LYS 64 N 0.00 0.00 -4.78 0.54 1.63 -1.06 -3.29 116.57 109.60 2kiv h LYS 64 Ca 0.00 0.00 -0.68 0.00 -0.85 0.00 0.00 60.65 59.12 2kiv h LYS 64 Cb 0.28 0.00 -0.31 0.00 -0.60 0.00 0.00 32.23 31.60 2kiv h LYS 64 CO 0.00 0.00 -0.68 1.41 -3.45 0.00 0.00 179.45 176.73 2kiv s MET 65 N -3.53 2.66 -0.72 1.90 1.75 -1.05 -4.77 119.30 115.54 2kiv s MET 65 Ca 0.02 -1.12 -0.04 0.00 -1.25 0.00 0.00 55.69 53.29 2kiv s MET 65 Cb 0.09 -3.23 0.01 0.00 2.84 0.00 0.00 34.83 34.54 2kiv s MET 65 CO 0.44 -0.56 0.66 -2.13 -0.65 0.00 0.00 175.02 172.78 2kiv n ARG 66 N 4.71 -1.54 -2.04 4.11 0.63 -1.26 -4.80 116.66 116.46 2kiv n ARG 66 Ca -0.14 1.33 -0.30 0.00 -0.92 0.00 0.00 57.85 57.82 2kiv n ARG 66 Cb 0.45 -4.44 -0.04 0.00 0.45 0.00 0.00 32.46 28.87 2kiv n ARG 66 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2kiv s PRO 67 N -3.54 2.57 0.06 -0.14 0.04 -1.24 -4.79 135.00 127.97 2kiv s PRO 67 Ca 0.05 -0.01 0.16 0.00 0.04 0.00 0.00 61.00 61.24 2kiv s PRO 67 Cb -0.01 -4.86 0.68 0.00 0.04 0.00 0.00 34.50 30.35 2kiv s PRO 67 CO 0.81 -3.19 1.50 0.44 0.04 0.00 0.00 177.00 176.60 2kiv n ILE 68 N 7.68 1.01 0.00 0.56 -0.00 -1.26 -4.90 119.36 122.45 2kiv n ILE 68 Ca 0.34 0.26 0.00 0.00 -0.00 0.00 0.00 62.75 63.36 2kiv n ILE 68 Cb 0.48 -1.07 0.00 0.00 -0.00 0.00 0.00 39.64 39.06 2kiv n ILE 68 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2kiv n GLY 69 N -0.09 2.21 3.50 3.28 0.00 -1.26 -4.85 105.19 107.98 2kiv n GLY 69 Ca 0.03 0.40 -0.19 0.00 0.00 0.00 0.00 46.02 46.26 2kiv n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kiv n HIS 70 N 4.91 -2.14 -4.34 1.61 8.25 -1.26 -4.95 115.22 117.30 2kiv n HIS 70 Ca 0.00 0.85 -0.33 0.00 -0.26 0.00 0.00 57.72 57.98 2kiv n HIS 70 Cb 0.00 -4.53 -0.16 0.00 1.12 0.00 0.00 29.99 26.42 2kiv n HIS 70 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2kiv s ASP 71 N -4.08 3.27 -0.20 0.41 1.47 -1.26 -4.91 116.67 111.38 2kiv s ASP 71 Ca 0.14 -0.59 -0.05 0.00 1.18 0.00 0.00 52.55 53.22 2kiv s ASP 71 Cb -0.03 -1.50 0.02 0.00 -0.34 0.00 0.00 42.92 41.08 2kiv s ASP 71 CO 0.77 0.04 0.11 0.61 0.68 0.00 0.00 175.17 177.37 2kiv n GLY 72 N 4.38 -4.47 3.73 2.12 0.00 -1.26 -5.08 105.19 104.62 2kiv n GLY 72 Ca -0.20 0.89 -0.01 0.00 0.00 0.00 0.00 46.02 46.70 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 -0.90 -1.94 -0.64 4.61 0.00 -1.26 -5.06 121.76 116.56 2kiv s ALA 73 Ca -0.12 0.29 -0.05 0.00 0.00 0.00 0.00 51.96 52.07 2kiv s ALA 73 Cb 0.01 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.69 2kiv s ALA 73 CO 0.64 -1.06 0.67 0.72 0.00 0.00 0.00 175.76 176.72 2kiv n HIS 74 N -0.54 -3.15 -2.18 0.00 8.25 -1.26 -4.91 115.22 111.43 2kiv n HIS 74 Ca -0.06 1.23 -0.42 0.00 -0.26 0.00 0.00 57.72 58.20 2kiv n HIS 74 Cb 0.61 -4.11 -0.03 0.00 1.12 0.00 0.00 29.99 27.59 2kiv n HIS 74 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2kiv s PRO 75 N -2.88 4.27 0.36 -0.41 0.04 -1.26 -4.90 135.00 130.22 2kiv s PRO 75 Ca 0.08 2.02 -0.09 0.00 0.04 0.00 0.00 61.00 63.05 2kiv s PRO 75 Cb -0.02 -3.59 0.03 0.00 0.04 0.00 0.00 34.50 30.95 2kiv s PRO 75 CO 0.76 -0.61 0.62 0.95 0.04 0.00 0.00 177.00 178.76 2kiv s THR 76 N 2.50 0.00 1.14 1.26 -4.23 -1.26 -5.07 115.64 109.97 2kiv s THR 76 Ca 0.65 -1.32 -0.18 0.00 -1.18 0.00 0.00 61.69 59.67 2kiv s THR 76 Cb -0.32 -2.75 0.15 0.00 1.34 0.00 0.00 72.50 70.92 2kiv s THR 76 CO 0.27 0.00 0.18 -1.20 -0.54 0.00 0.00 174.62 173.34 2kiv n SER 77 N -1.41 -2.58 -0.12 3.99 7.64 -1.26 -4.46 113.62 115.43 2kiv n SER 77 Ca -0.03 -0.24 -0.08 0.00 1.01 0.00 0.00 58.87 59.53 2kiv n SER 77 Cb 0.61 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2kiv n SER 77 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2kiv h VAL 78 N -2.35 1.06 0.79 0.44 2.07 -1.86 0.30 116.25 116.69 2kiv h VAL 78 Ca -0.49 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 2kiv h VAL 78 Cb 1.25 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2kiv h VAL 78 CO 0.34 0.09 -0.38 0.00 0.02 0.00 0.00 177.57 177.64 2kiv h ALA 79 N 1.16 -1.25 -0.87 1.67 0.00 -1.93 -1.28 119.26 116.76 2kiv h ALA 79 Ca 0.15 -0.23 0.17 0.00 0.00 0.00 0.00 54.91 54.99 2kiv h ALA 79 Cb -0.01 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 2kiv h ALA 79 CO -0.06 -1.17 0.43 0.93 0.00 0.00 0.00 179.25 179.38 2kiv h GLU 80 N -1.10 0.55 0.58 0.00 4.39 -1.89 0.21 114.58 117.32 2kiv h GLU 80 Ca -0.11 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 2kiv h GLU 80 Cb 0.82 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2kiv h GLU 80 CO 0.18 0.37 -0.36 2.35 -1.16 0.00 0.00 179.01 180.39 2kiv h TRP 81 N 0.57 -0.96 -0.00 4.33 7.01 -0.81 -2.22 115.95 123.87 2kiv h TRP 81 Ca 0.49 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.48 2kiv h TRP 81 Cb 0.77 0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 28.17 2kiv h TRP 81 CO -0.10 -0.54 0.00 -0.07 -2.79 0.00 0.00 178.44 174.95 2kiv h LEU 82 N -0.88 0.00 -1.49 0.65 3.38 -0.79 -1.59 115.31 114.58 2kiv h LEU 82 Ca -0.08 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2kiv h LEU 82 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2kiv h LEU 82 CO 0.08 0.00 0.37 -0.78 0.09 0.00 0.00 178.44 178.20 2kiv h ASP 83 N 0.00 0.58 0.32 -0.43 1.82 0.05 0.12 116.42 118.87 2kiv h ASP 83 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2kiv h ASP 83 Cb 0.00 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 39.87 2kiv h ASP 83 CO -0.00 0.41 -0.06 -1.20 -1.61 0.00 0.00 179.24 176.78 2kiv n SER 84 N -4.46 0.34 -0.47 2.28 7.64 -0.60 -3.37 113.62 114.97 2kiv n SER 84 Ca 0.06 -0.61 0.07 0.00 1.01 0.00 0.00 58.87 59.40 2kiv n SER 84 Cb 0.11 -0.10 0.18 0.00 -1.01 0.00 0.00 64.21 63.39 2kiv n SER 84 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2kiv n ILE 85 N -0.97 2.02 -4.51 0.44 5.41 0.27 -4.97 119.36 117.06 2kiv n ILE 85 Ca 0.17 -2.85 -0.41 0.00 1.00 0.00 0.00 62.75 60.65 2kiv n ILE 85 Cb 0.24 -0.19 -0.08 0.00 -0.71 0.00 0.00 39.64 38.90 2kiv n ILE 85 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2kiv n GLU 86 N -1.15 -0.74 -1.19 0.38 0.28 -0.91 -4.77 120.64 112.55 2kiv n GLU 86 Ca 0.17 0.13 0.03 0.00 -0.16 0.00 0.00 57.16 57.34 2kiv n GLU 86 Cb 0.69 -4.57 0.11 0.00 1.43 0.00 0.00 31.44 29.09 2kiv n GLU 86 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2kiv n LEU 87 N -4.09 1.98 -0.04 -1.84 4.77 -0.35 -4.84 117.00 112.59 2kiv n LEU 87 Ca 0.07 -3.04 0.17 0.00 -0.03 0.00 0.00 56.01 53.18 2kiv n LEU 87 Cb 0.47 -0.23 0.60 0.00 -2.33 0.00 0.00 43.42 41.93 2kiv n LEU 87 CO 0.95 1.01 1.18 1.23 -1.33 0.00 0.00 177.39 180.44 2kiv h GLY 88 N 1.13 0.29 0.51 -0.72 0.00 -1.86 -1.26 103.07 101.17 2kiv h GLY 88 Ca -0.09 -0.08 0.10 0.00 0.00 0.00 0.00 47.33 47.26 2kiv h GLY 88 CO 0.09 0.04 0.50 -0.55 0.00 0.00 0.00 176.54 176.62 2kiv h ASP 89 N 0.19 0.72 -0.34 0.19 5.19 -1.93 0.57 116.42 121.01 2kiv h ASP 89 Ca 0.27 0.05 0.10 0.00 -0.62 0.00 0.00 57.03 56.83 2kiv h ASP 89 Cb 0.81 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.22 2kiv h ASP 89 CO -0.05 0.40 0.34 1.88 -3.12 0.00 0.00 179.24 178.70 2kiv h TYR 90 N 0.83 0.00 -1.05 4.55 0.05 -1.63 -1.01 116.97 118.71 2kiv h TYR 90 Ca 0.42 0.00 0.29 0.00 0.05 0.00 0.00 58.73 59.49 2kiv h TYR 90 Cb 0.39 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.07 2kiv h TYR 90 CO -0.05 0.00 0.73 1.15 -1.05 0.00 0.00 178.16 178.94 2kiv h THR 91 N 0.00 0.49 0.62 -2.88 2.02 -0.98 -0.84 112.91 111.35 2kiv h THR 91 Ca 0.16 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 2kiv h THR 91 Cb 0.83 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2kiv h THR 91 CO -0.00 0.02 -0.30 0.50 0.37 0.00 0.00 175.52 176.11 2kiv h LYS 92 N 0.13 -0.81 -0.19 6.66 3.64 -1.35 -0.13 116.57 124.52 2kiv h LYS 92 Ca 0.53 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.97 2kiv h LYS 92 Cb 1.85 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.84 2kiv h LYS 92 CO -0.09 -0.50 0.11 0.00 -2.27 0.00 0.00 179.45 176.70 2kiv h ALA 93 N -0.66 0.24 -0.55 5.00 0.00 -1.39 -1.16 119.26 120.74 2kiv h ALA 93 Ca -0.09 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2kiv h ALA 93 Cb 0.68 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 2kiv h ALA 93 CO 0.14 -0.30 0.24 0.74 0.00 0.00 0.00 179.25 180.07 2kiv h PHE 94 N 0.23 0.43 0.80 0.00 -1.00 -1.23 0.16 116.94 116.34 2kiv h PHE 94 Ca 0.08 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.84 2kiv h PHE 94 Cb -0.00 -0.11 0.01 0.00 3.61 0.00 0.00 35.95 39.45 2kiv h PHE 94 CO -0.08 0.17 -0.38 -0.07 -1.61 0.00 0.00 178.31 176.33 2kiv h LEU 95 N 0.45 -0.91 -2.05 1.54 3.38 -0.71 0.32 115.31 117.32 2kiv h LEU 95 Ca 0.26 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.37 2kiv h LEU 95 Cb 0.24 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2kiv h LEU 95 CO -0.22 -0.62 0.36 0.16 0.09 0.00 0.00 178.44 178.21 2kiv h ILE 96 N -1.14 0.49 0.00 1.22 3.07 -1.09 0.25 117.51 120.32 2kiv h ILE 96 Ca -0.11 0.00 -0.16 0.00 1.55 0.00 0.00 64.86 66.14 2kiv h ILE 96 Cb 0.82 0.72 -0.02 0.00 -0.27 0.00 0.00 36.82 38.07 2kiv h ILE 96 CO 0.18 0.00 -0.75 0.78 -1.05 0.00 0.00 178.15 177.31 2kiv h ASN 97 N 0.00 0.00 0.00 2.16 2.35 -0.33 -3.47 115.58 116.29 2kiv h ASN 97 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2kiv h ASN 97 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 2kiv h ASN 97 CO -0.00 0.75 0.00 0.61 -1.65 0.00 0.00 177.43 177.14 2kiv n GLY 98 N 0.68 1.67 3.47 2.83 0.00 0.89 -5.06 105.19 109.67 2kiv n GLY 98 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2kiv n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kiv s TYR 99 N -2.00 3.05 -0.24 1.61 2.02 0.10 -4.75 117.35 117.14 2kiv s TYR 99 Ca 0.00 -1.38 -0.06 0.00 -0.37 0.00 0.00 57.07 55.26 2kiv s TYR 99 Cb 0.00 -4.36 -0.17 0.00 -0.40 0.00 0.00 41.96 37.03 2kiv s TYR 99 CO 0.00 -1.56 -0.15 0.25 -1.57 0.00 0.00 175.55 172.53 2kiv n THR 100 N 5.66 1.55 -2.29 -0.71 -2.24 -1.26 -4.46 114.28 110.51 2kiv n THR 100 Ca 0.27 -0.48 -0.25 0.00 -2.27 0.00 0.00 64.05 61.32 2kiv n THR 100 Cb 0.49 -1.66 0.06 0.00 -2.10 0.00 0.00 70.33 67.12 2kiv n THR 100 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kiv s SER 101 N -6.92 4.93 -0.25 3.42 0.01 -1.26 -4.55 113.70 109.08 2kiv s SER 101 Ca -0.34 0.37 -0.06 0.00 1.31 0.00 0.00 55.95 57.24 2kiv s SER 101 Cb 0.10 -1.08 -0.14 0.00 0.21 0.00 0.00 66.02 65.11 2kiv s SER 101 CO 0.59 -1.49 -0.27 0.80 0.41 0.00 0.00 173.24 173.28 2kiv n MET 102 N -2.80 0.58 -0.34 12.44 1.56 -1.26 -4.41 117.12 122.89 2kiv n MET 102 Ca 0.08 0.19 0.10 0.00 -0.27 0.00 0.00 57.70 57.80 2kiv n MET 102 Cb 0.60 -1.46 0.30 0.00 2.15 0.00 0.00 33.22 34.82 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 -0.46 0.82 -0.06 6.12 5.19 -1.96 0.17 116.42 126.23 2kiv h ASP 103 Ca -0.60 0.06 0.02 0.00 -0.62 0.00 0.00 57.03 55.88 2kiv h ASP 103 Cb 1.71 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 41.12 2kiv h ASP 103 CO -0.24 0.39 0.04 0.17 -3.12 0.00 0.00 179.24 176.48 2kiv h LEU 104 N 0.85 0.00 -2.51 1.55 8.10 -2.00 -0.67 115.31 120.63 2kiv h LEU 104 Ca 0.51 0.00 0.02 0.00 0.11 0.00 0.00 57.88 58.51 2kiv h LEU 104 Cb 0.67 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.89 2kiv h LEU 104 CO -0.28 0.00 0.11 -0.07 -4.11 0.00 0.00 178.44 174.09 2kiv h LEU 105 N 0.00 0.00 -3.31 0.17 3.38 -0.87 0.15 115.31 114.83 2kiv h LEU 105 Ca 0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 2kiv h LEU 105 Cb 0.11 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 2kiv h LEU 105 CO -0.00 0.00 0.20 1.17 0.09 0.00 0.00 178.44 179.90 2kiv n LYS 106 N -3.44 3.42 0.00 1.13 4.81 -0.26 -3.90 118.16 119.92 2kiv n LYS 106 Ca -0.02 -2.56 0.02 0.00 -0.87 0.00 0.00 58.31 54.89 2kiv n LYS 106 Cb 0.19 -2.08 0.01 0.00 0.02 0.00 0.00 35.03 33.18 2kiv n LYS 106 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2kiv n LYS 107 N 0.01 0.17 -4.11 1.64 4.81 0.52 -5.03 118.16 116.17 2kiv n LYS 107 Ca 0.33 -0.67 -0.22 0.00 -0.87 0.00 0.00 58.31 56.88 2kiv n LYS 107 Cb 1.20 -1.04 -0.05 0.00 0.02 0.00 0.00 35.03 35.16 2kiv n LYS 107 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 2kiv s ILE 108 N -0.43 4.16 0.53 3.15 -4.36 -1.25 -5.14 121.20 117.85 2kiv s ILE 108 Ca 0.04 -1.49 0.05 0.00 -0.26 0.00 0.00 60.65 58.99 2kiv s ILE 108 Cb 0.03 -3.28 0.03 0.00 1.25 0.00 0.00 42.46 40.49 2kiv s ILE 108 CO 0.06 -0.33 0.34 0.00 0.24 0.00 0.00 174.94 175.25 2kiv s ALA 109 N -2.19 4.34 0.08 2.27 0.00 -1.26 -4.96 121.76 120.03 2kiv s ALA 109 Ca 0.34 -1.20 -0.26 0.00 0.00 0.00 0.00 51.96 50.84 2kiv s ALA 109 Cb -0.07 -0.63 -0.11 0.00 0.00 0.00 0.00 23.12 22.31 2kiv s ALA 109 CO 0.24 -0.37 1.41 0.93 0.00 0.00 0.00 175.76 177.97 2kiv h GLU 110 N 0.87 -0.54 -0.73 0.00 4.39 -2.00 -0.35 114.58 116.22 2kiv h GLU 110 Ca -0.38 0.04 0.15 0.00 0.34 0.00 0.00 59.36 59.50 2kiv h GLU 110 Cb 1.30 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.97 2kiv h GLU 110 CO 0.60 -0.36 0.22 -0.24 -1.16 0.00 0.00 179.01 178.08 2kiv h VAL 111 N -0.56 0.59 -0.83 3.13 3.04 -1.97 0.49 116.25 120.14 2kiv h VAL 111 Ca -0.01 -0.12 0.09 0.00 -1.01 0.00 0.00 66.70 65.65 2kiv h VAL 111 Cb 0.56 0.22 -0.07 0.00 -2.01 0.00 0.00 31.29 29.99 2kiv h VAL 111 CO -0.21 0.06 0.49 -0.33 -1.01 0.00 0.00 177.57 176.57 2kiv h GLU 112 N 0.34 0.81 -0.24 4.17 4.39 -1.79 0.38 114.58 122.64 2kiv h GLU 112 Ca 0.40 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.92 2kiv h GLU 112 Cb 0.65 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2kiv h GLU 112 CO -0.45 0.54 -0.40 1.25 -1.16 0.00 0.00 179.01 178.79 2kiv h LEU 113 N 0.84 0.59 -0.21 1.33 5.85 0.75 0.32 115.31 124.77 2kiv h LEU 113 Ca 0.39 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2kiv h LEU 113 Cb 0.31 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2kiv h LEU 113 CO -0.23 0.92 0.00 0.40 -0.34 0.00 0.00 178.44 179.19 2kiv h ILE 114 N 0.46 0.00 0.00 4.05 2.04 0.05 0.41 117.51 124.52 2kiv h ILE 114 Ca 0.04 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 2kiv h ILE 114 Cb 0.89 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2kiv h ILE 114 CO 0.08 0.00 -2.03 -3.20 0.00 0.00 0.00 178.15 173.00 2kiv n ASN 115 N -2.70 0.00 -0.08 1.72 5.15 0.12 -3.37 115.26 116.10 2kiv n ASN 115 Ca 0.04 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.88 2kiv n ASN 115 Cb 0.44 1.92 -0.05 0.00 -0.53 0.00 0.00 39.78 41.57 2kiv n ASN 115 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2kiv n VAL 116 N -2.30 1.34 0.08 3.44 0.31 0.11 -4.69 118.33 116.62 2kiv n VAL 116 Ca -0.06 -0.03 0.03 0.00 -0.01 0.00 0.00 64.34 64.27 2kiv n VAL 116 Cb 0.61 -2.01 -0.04 0.00 -0.91 0.00 0.00 33.84 31.50 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 -0.78 0.00 -1.18 7.52 -0.00 -0.57 -3.49 115.31 116.81 2kiv h LEU 117 Ca -0.25 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.34 2kiv h LEU 117 Cb 1.10 0.00 0.12 0.00 -0.00 0.00 0.00 40.66 41.88 2kiv h LEU 117 CO -0.15 0.45 -0.56 0.29 -0.00 0.00 0.00 178.44 178.46 2kiv n LYS 118 N -2.94 -5.95 -3.03 1.13 5.02 0.11 -4.96 118.16 107.54 2kiv n LYS 118 Ca -0.05 0.66 -0.43 0.00 -2.02 0.00 0.00 58.31 56.47 2kiv n LYS 118 Cb 0.76 -5.17 -0.05 0.00 -0.02 0.00 0.00 35.03 30.54 2kiv n LYS 118 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kiv s ILE 119 N -3.26 4.68 -0.18 -0.18 1.01 -1.22 -4.85 121.20 117.20 2kiv s ILE 119 Ca 0.30 -0.13 0.16 0.00 0.00 0.00 0.00 60.65 60.98 2kiv s ILE 119 Cb -0.13 -4.38 -0.22 0.00 0.01 0.00 0.00 42.46 37.73 2kiv s ILE 119 CO 0.58 -0.90 0.06 -3.20 0.00 0.00 0.00 174.94 171.48 2kiv n ASN 120 N 6.67 0.57 -4.68 3.58 2.85 -1.26 -4.67 115.26 118.33 2kiv n ASN 120 Ca -0.03 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 54.00 2kiv n ASN 120 Cb 0.46 0.94 -0.02 0.00 1.24 0.00 0.00 39.78 42.41 2kiv n ASN 120 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2kiv n LEU 121 N -2.66 3.22 0.05 1.20 7.94 -1.26 -4.88 117.00 120.60 2kiv n LEU 121 Ca -0.29 1.16 -0.13 0.00 -1.11 0.00 0.00 56.01 55.64 2kiv n LEU 121 Cb 1.08 -1.44 -0.09 0.00 0.53 0.00 0.00 43.42 43.50 2kiv n LEU 121 CO 0.38 -0.48 0.57 0.40 -1.11 0.00 0.00 177.39 177.15 2kiv h ILE 122 N 2.94 1.07 -0.67 1.96 2.04 -1.87 -0.45 117.51 122.53 2kiv h ILE 122 Ca -0.45 -0.95 0.12 0.00 1.00 0.00 0.00 64.86 64.58 2kiv h ILE 122 Cb 1.28 1.65 -0.09 0.00 -0.74 0.00 0.00 36.82 38.92 2kiv h ILE 122 CO 0.73 0.22 0.23 1.23 0.00 0.00 0.00 178.15 180.56 2kiv h GLY 123 N -0.62 0.96 0.44 5.37 0.00 -0.76 0.48 103.07 108.93 2kiv h GLY 123 Ca -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2kiv h GLY 123 CO 0.03 -0.08 -0.21 0.45 0.00 0.00 0.00 176.54 176.72 2kiv h HIS 124 N 0.38 -0.54 -0.88 5.60 3.86 -1.78 -1.44 115.15 120.34 2kiv h HIS 124 Ca 0.36 -0.01 0.24 0.00 -1.16 0.00 0.00 60.37 59.80 2kiv h HIS 124 Cb 0.51 0.18 -0.04 0.00 1.06 0.00 0.00 27.41 29.12 2kiv h HIS 124 CO -0.19 -0.34 0.62 0.07 0.86 0.00 0.00 177.93 178.95 2kiv h ARG 125 N -1.10 0.08 0.30 2.45 -0.00 -0.95 -0.08 114.38 115.09 2kiv h ARG 125 Ca -0.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.90 2kiv h ARG 125 Cb 0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.40 2kiv h ARG 125 CO 0.10 0.06 -0.14 -0.22 -0.00 0.00 0.00 179.97 179.76 2kiv h LYS 126 N 0.09 -0.39 -0.76 0.08 1.63 -0.04 -0.65 116.57 116.53 2kiv h LYS 126 Ca 0.43 0.03 0.16 0.00 -0.85 0.00 0.00 60.65 60.42 2kiv h LYS 126 Cb 1.57 0.09 -0.11 0.00 -0.60 0.00 0.00 32.23 33.18 2kiv h LYS 126 CO -0.05 -0.26 0.25 0.00 -3.45 0.00 0.00 179.45 175.95 2kiv h ARG 127 N -1.03 0.34 0.12 1.90 3.08 -0.67 0.23 114.38 118.35 2kiv h ARG 127 Ca -0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2kiv h ARG 127 Cb 0.31 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2kiv h ARG 127 CO 0.07 0.22 -0.06 0.82 -1.07 0.00 0.00 179.97 179.96 2kiv h ILE 128 N 0.35 1.06 -0.65 2.04 2.04 -1.13 -0.24 117.51 120.98 2kiv h ILE 128 Ca 0.43 -0.79 0.13 0.00 1.00 0.00 0.00 64.86 65.63 2kiv h ILE 128 Cb 0.72 1.56 -0.10 0.00 -0.74 0.00 0.00 36.82 38.26 2kiv h ILE 128 CO -0.47 0.19 0.10 0.25 0.00 0.00 0.00 178.15 178.22 2kiv h LEU 129 N -0.53 -0.08 -0.51 1.44 5.85 -0.33 -0.16 115.31 120.98 2kiv h LEU 129 Ca -0.02 0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.69 2kiv h LEU 129 Cb 0.43 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2kiv h LEU 129 CO 0.03 -0.05 -0.43 0.00 -0.34 0.00 0.00 178.44 177.65 2kiv h ALA 130 N 1.55 0.69 -0.46 1.25 0.00 -0.97 0.25 119.26 121.57 2kiv h ALA 130 Ca 0.35 -0.46 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2kiv h ALA 130 Cb 0.57 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2kiv h ALA 130 CO -0.48 0.67 0.17 0.77 0.00 0.00 0.00 179.25 180.38 2kiv h SER 131 N 0.60 0.19 1.07 0.00 0.02 0.69 -2.38 113.55 113.74 2kiv h SER 131 Ca 0.04 0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.90 2kiv h SER 131 Cb 0.98 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 2kiv h SER 131 CO 0.09 0.14 -0.99 -0.07 -1.14 0.00 0.00 176.83 174.87 2kiv h LEU 132 N 0.35 0.00 -8.04 5.07 3.38 -1.19 -3.42 115.31 111.46 2kiv h LEU 132 Ca 0.22 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.55 2kiv h LEU 132 Cb 0.21 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.83 2kiv h LEU 132 CO -0.21 0.58 1.30 -0.83 0.09 0.00 0.00 178.44 179.37 2kiv s GLY 133 N -4.64 1.54 -0.53 0.83 0.00 0.87 -4.88 107.32 100.50 2kiv s GLY 133 Ca 0.00 -2.50 -0.19 0.00 0.00 0.00 0.00 44.72 42.04 2kiv s GLY 133 CO 0.78 2.44 0.64 0.99 0.00 0.00 0.00 173.10 177.95 2kiv s ASP 134 N 4.42 6.21 0.00 1.64 1.01 -1.26 -4.74 116.67 123.94 2kiv s ASP 134 Ca 0.42 -1.09 0.27 0.00 0.71 0.00 0.00 52.55 52.86 2kiv s ASP 134 Cb -0.02 -2.29 0.86 0.00 1.01 0.00 0.00 42.92 42.49 2kiv s ASP 134 CO -0.09 -0.95 1.64 0.54 0.21 0.00 0.00 175.17 176.52