#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 2.34 -0.08 7.34 0.74 -1.26 -5.13 119.66 123.60 2kiv s GLN 2 Ca 0.00 -1.32 0.02 0.00 0.05 0.00 0.00 55.36 54.11 2kiv s GLN 2 Cb 0.00 -2.22 0.01 0.00 1.10 0.00 0.00 33.01 31.90 2kiv s GLN 2 CO 0.00 0.39 -0.14 0.99 -0.55 0.00 0.00 175.29 175.98 2kiv s THR 3 N -2.15 1.34 0.17 -0.34 2.01 -1.26 -4.60 115.64 110.82 2kiv s THR 3 Ca 0.30 -0.59 -0.17 0.00 0.31 0.00 0.00 61.69 61.54 2kiv s THR 3 Cb -0.07 -1.21 0.11 0.00 0.01 0.00 0.00 72.50 71.33 2kiv s THR 3 CO 0.20 0.40 1.66 0.58 -0.69 0.00 0.00 174.62 176.76 2kiv h VAL 4 N 5.93 0.53 -0.41 3.82 2.07 -1.92 -1.09 116.25 125.18 2kiv h VAL 4 Ca -0.29 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.30 2kiv h VAL 4 Cb 1.19 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 2kiv h VAL 4 CO 0.47 0.00 0.07 1.23 0.02 0.00 0.00 177.57 179.37 2kiv h GLY 5 N -0.04 0.48 0.84 2.17 0.00 -1.92 0.30 103.07 104.91 2kiv h GLY 5 Ca 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 2kiv h GLY 5 CO -0.45 -0.05 -0.37 -1.61 0.00 0.00 0.00 176.54 174.06 2kiv h GLN 6 N 0.20 -0.88 0.54 4.80 4.15 -1.77 0.12 115.11 122.27 2kiv h GLN 6 Ca 0.20 0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 2kiv h GLN 6 Cb 0.25 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 2kiv h GLN 6 CO -0.27 -0.59 -0.40 2.35 -1.93 0.00 0.00 178.83 178.00 2kiv h TRP 7 N -0.91 -1.06 -0.87 3.99 7.01 -1.01 0.18 115.95 123.27 2kiv h TRP 7 Ca -0.07 -0.00 0.21 0.00 2.11 0.00 0.00 58.89 61.13 2kiv h TRP 7 Cb 0.74 0.39 -0.06 0.00 -2.10 0.00 0.00 29.16 28.14 2kiv h TRP 7 CO -0.10 -0.58 0.59 1.25 -2.79 0.00 0.00 178.44 176.81 2kiv h LEU 8 N -0.91 0.31 -0.28 0.65 6.46 -0.39 0.36 115.31 121.50 2kiv h LEU 8 Ca -0.06 0.03 -0.18 0.00 -0.12 0.00 0.00 57.88 57.55 2kiv h LEU 8 Cb 0.76 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.64 2kiv h LEU 8 CO 0.02 0.12 -0.87 -0.33 -0.62 0.00 0.00 178.44 176.77 2kiv h GLU 9 N 0.31 0.04 0.00 1.25 5.08 -0.05 0.35 114.58 121.55 2kiv h GLU 9 Ca 0.45 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.69 2kiv h GLU 9 Cb 1.25 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2kiv h GLU 9 CO -0.13 0.88 -0.35 1.03 -1.00 0.00 0.00 179.01 179.43 2kiv h SER 10 N 0.02 0.00 0.00 1.42 0.87 0.26 -3.27 113.55 112.85 2kiv h SER 10 Ca -0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2kiv h SER 10 Cb 1.52 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.48 2kiv h SER 10 CO 0.12 0.35 -1.90 2.30 -0.53 0.00 0.00 176.83 177.17 2kiv n ILE 11 N -3.22 0.03 0.00 2.23 -5.35 0.31 -5.04 119.36 108.33 2kiv n ILE 11 Ca 0.02 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 2kiv n ILE 11 Cb 0.64 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.59 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 1.41 5.28 3.54 3.28 0.00 0.12 -4.80 105.19 114.02 2kiv n GLY 12 Ca -0.04 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 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 2.84 0.00 0.99 2.01 -1.25 -4.62 118.68 118.65 2kiv s LEU 13 Ca 0.00 -0.77 0.00 0.00 0.01 0.00 0.00 54.13 53.37 2kiv s LEU 13 Cb 0.00 -1.43 0.00 0.00 0.01 0.00 0.00 46.19 44.77 2kiv s LEU 13 CO 0.00 0.06 0.00 -0.81 1.01 0.00 0.00 176.35 176.61 2kiv n PRO 14 N -0.38 -0.97 -1.17 1.29 -0.04 -1.26 -4.16 135.00 128.31 2kiv n PRO 14 Ca -0.08 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.32 2kiv n PRO 14 Cb 0.58 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.01 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 -1.47 -1.52 -0.03 0.54 6.02 -1.26 -4.76 117.38 114.91 2kiv n GLN 15 Ca 0.00 0.65 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 2kiv n GLN 15 Cb 0.00 -4.90 -0.08 0.00 1.02 0.00 0.00 30.24 26.28 2kiv n GLN 15 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2kiv n TYR 16 N -2.28 0.00 -0.23 1.08 4.02 -1.26 -4.59 117.16 113.91 2kiv n TYR 16 Ca -0.06 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.84 2kiv n TYR 16 Cb 0.47 -0.37 0.13 0.00 -0.02 0.00 0.00 39.34 39.55 2kiv n TYR 16 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 2kiv h GLU 17 N 0.00 0.52 -0.51 -0.72 4.11 -1.87 -1.25 114.58 114.86 2kiv h GLU 17 Ca -0.13 -0.03 0.10 0.00 0.07 0.00 0.00 59.36 59.37 2kiv h GLU 17 Cb 1.05 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 30.10 2kiv h GLU 17 CO 0.01 0.34 0.01 -0.97 0.07 0.00 0.00 179.01 178.47 2kiv h ASN 18 N 0.53 -0.21 0.27 3.06 -0.73 -1.98 0.30 115.58 116.83 2kiv h ASN 18 Ca 0.34 0.12 -0.01 0.00 1.87 0.00 0.00 56.30 58.62 2kiv h ASN 18 Cb 0.38 0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.18 2kiv h ASN 18 CO -0.28 -0.07 -0.13 0.45 -0.37 0.00 0.00 177.43 177.02 2kiv h HIS 19 N 0.12 -0.34 0.31 0.67 3.86 -1.62 -0.67 115.15 117.48 2kiv h HIS 19 Ca 0.26 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2kiv h HIS 19 Cb 0.40 0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.95 2kiv h HIS 19 CO -0.32 -0.06 -0.46 -0.07 0.86 0.00 0.00 177.93 177.88 2kiv h LEU 20 N -0.59 -1.30 -0.32 2.43 4.07 -0.79 0.25 115.31 119.05 2kiv h LEU 20 Ca -0.04 0.12 0.07 0.00 0.08 0.00 0.00 57.88 58.11 2kiv h LEU 20 Cb 0.43 0.45 -0.08 0.00 1.08 0.00 0.00 40.66 42.54 2kiv h LEU 20 CO 0.06 -0.55 -0.19 0.24 -1.08 0.00 0.00 178.44 176.92 2kiv h MET 21 N -0.80 -0.15 -0.11 1.13 2.86 0.17 0.45 114.93 118.48 2kiv h MET 21 Ca -0.04 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2kiv h MET 21 Cb 0.73 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 2kiv h MET 21 CO -0.13 -0.10 0.10 0.00 1.06 0.00 0.00 176.91 177.84 2kiv h ALA 22 N 1.05 1.92 -0.25 6.32 0.00 -0.85 0.23 119.26 127.68 2kiv h ALA 22 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2kiv h ALA 22 Cb 0.41 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kiv h ALA 22 CO -0.42 -0.16 0.00 0.09 0.00 0.00 0.00 179.25 178.77 2kiv n ASN 23 N -4.20 1.61 0.00 0.00 4.13 0.84 -4.88 115.26 112.77 2kiv n ASN 23 Ca -0.00 -1.87 0.00 0.00 1.68 0.00 0.00 54.58 54.38 2kiv n ASN 23 Cb 0.21 -0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 2kiv n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kiv n GLY 24 N 1.04 2.97 2.40 7.41 0.00 0.80 -0.15 105.19 119.66 2kiv n GLY 24 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.98 2.59 0.26 1.61 3.72 0.13 -4.30 117.46 120.49 2kiv n PHE 25 Ca 0.00 -3.03 0.11 0.00 -0.05 0.00 0.00 57.45 54.47 2kiv n PHE 25 Cb 0.00 -2.48 -0.14 0.00 -0.94 0.00 0.00 39.48 35.92 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 4.09 0.29 -4.15 4.37 5.68 -1.26 -2.06 116.55 123.52 2kiv n ASP 26 Ca 0.73 -0.24 -0.32 0.00 -0.50 0.00 0.00 54.79 54.46 2kiv n ASP 26 Cb 0.26 1.65 -0.17 0.00 -1.14 0.00 0.00 41.12 41.73 2kiv n ASP 26 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2kiv s ASN 27 N -4.16 3.00 0.50 -1.12 3.04 -1.26 -4.49 114.94 110.46 2kiv s ASN 27 Ca -0.03 -0.58 0.26 0.00 0.04 0.00 0.00 52.86 52.55 2kiv s ASN 27 Cb 0.14 -1.39 1.35 0.00 -1.54 0.00 0.00 41.25 39.82 2kiv s ASN 27 CO 0.89 0.06 1.91 0.58 -3.04 0.00 0.00 177.10 177.51 2kiv h VAL 28 N 5.86 0.64 -0.16 -5.21 2.07 -1.90 0.26 116.25 117.80 2kiv h VAL 28 Ca -0.33 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.20 2kiv h VAL 28 Cb 1.18 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2kiv h VAL 28 CO 0.55 0.02 0.19 1.56 0.02 0.00 0.00 177.57 179.91 2kiv h GLN 29 N 0.11 0.00 -0.55 1.57 4.20 -1.94 -0.79 115.11 117.71 2kiv h GLN 29 Ca 0.39 0.00 0.14 0.00 0.06 0.00 0.00 58.65 59.24 2kiv h GLN 29 Cb 1.36 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.12 2kiv h GLN 29 CO -0.05 0.00 0.39 0.00 -0.67 0.00 0.00 178.83 178.50 2kiv h ALA 30 N 1.77 2.39 -0.47 3.87 0.00 -0.87 0.07 119.26 126.02 2kiv h ALA 30 Ca 0.08 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 2kiv h ALA 30 Cb 0.46 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.10 2kiv h ALA 30 CO -0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 179.25 178.64 2kiv n MET 31 N -4.41 2.10 -0.06 0.00 0.00 -0.30 -4.63 117.12 109.82 2kiv n MET 31 Ca 0.10 -3.30 -0.05 0.00 0.00 0.00 0.00 57.70 54.44 2kiv n MET 31 Cb 0.56 -1.92 -0.05 0.00 0.00 0.00 0.00 33.22 31.81 2kiv n MET 31 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2kiv h GLY 32 N 1.20 0.00 0.00 3.17 0.00 -1.02 -3.41 103.07 103.01 2kiv h GLY 32 Ca 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 2kiv h GLY 32 CO 0.55 0.00 -0.07 1.48 0.00 0.00 0.00 176.54 178.50 2kiv h SER 33 N -1.00 0.00 -3.50 0.19 4.64 -1.84 -3.24 113.55 108.80 2kiv h SER 33 Ca -0.00 -0.68 -0.48 0.00 -0.47 0.00 0.00 61.79 60.15 2kiv h SER 33 Cb 0.38 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.51 2kiv h SER 33 CO -0.00 0.88 0.10 0.21 -0.87 0.00 0.00 176.83 177.15 2kiv s ASN 34 N -6.05 6.05 -0.16 4.97 3.84 -1.26 -5.04 114.94 117.28 2kiv s ASN 34 Ca -0.14 0.80 -0.05 0.00 0.21 0.00 0.00 52.86 53.68 2kiv s ASN 34 Cb -0.02 -2.04 -0.04 0.00 -0.55 0.00 0.00 41.25 38.61 2kiv s ASN 34 CO 0.49 -0.71 0.02 0.68 -2.79 0.00 0.00 177.10 174.79 2kiv s VAL 35 N -2.78 4.44 -0.61 -5.21 -7.23 -1.26 -4.59 120.40 103.17 2kiv s VAL 35 Ca 0.49 -0.17 -0.29 0.00 -1.81 0.00 0.00 61.98 60.20 2kiv s VAL 35 Cb -0.10 -2.96 -0.12 0.00 0.56 0.00 0.00 36.38 33.75 2kiv s VAL 35 CO 0.44 0.49 2.46 0.80 -0.31 0.00 0.00 175.10 178.98 2kiv n MET 36 N 3.32 0.77 -1.33 4.82 1.56 -1.26 -4.91 117.12 120.08 2kiv n MET 36 Ca -0.17 0.06 -0.30 0.00 -0.27 0.00 0.00 57.70 57.01 2kiv n MET 36 Cb 0.53 -2.71 0.10 0.00 2.15 0.00 0.00 33.22 33.29 2kiv n MET 36 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 2kiv s GLU 37 N 8.10 2.04 0.10 2.12 2.02 -1.26 -4.80 118.70 127.02 2kiv s GLU 37 Ca 1.11 0.96 -0.21 0.00 0.02 0.00 0.00 54.97 56.85 2kiv s GLU 37 Cb -0.61 -1.89 -0.11 0.00 0.10 0.00 0.00 34.13 31.62 2kiv s GLU 37 CO 0.37 -1.74 1.71 0.38 0.02 0.00 0.00 175.26 176.00 2kiv h ASP 38 N -1.19 0.14 -0.89 -0.19 3.04 -1.97 -1.12 116.42 114.24 2kiv h ASP 38 Ca -0.46 -0.06 0.12 0.00 -3.24 0.00 0.00 57.03 53.39 2kiv h ASP 38 Cb 1.25 -0.04 -0.07 0.00 -1.04 0.00 0.00 39.33 39.43 2kiv h ASP 38 CO 0.54 0.16 0.57 1.56 -2.04 0.00 0.00 179.24 180.04 2kiv h GLN 39 N 0.11 0.75 0.39 4.15 1.08 -1.98 0.45 115.11 120.07 2kiv h GLN 39 Ca 0.04 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2kiv h GLN 39 Cb 0.05 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2kiv h GLN 39 CO -0.01 0.50 -0.19 -0.44 -0.95 0.00 0.00 178.83 177.74 2kiv h ASP 40 N 0.78 -0.45 -0.85 1.46 3.32 -1.83 0.21 116.42 119.05 2kiv h ASP 40 Ca 0.44 0.02 0.25 0.00 0.02 0.00 0.00 57.03 57.75 2kiv h ASP 40 Cb 0.59 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 2kiv h ASP 40 CO -0.20 -0.13 0.65 0.17 -1.72 0.00 0.00 179.24 178.01 2kiv h LEU 41 N -0.90 0.00 0.06 1.55 8.10 -1.03 0.33 115.31 123.42 2kiv h LEU 41 Ca -0.05 0.00 -0.28 0.00 0.11 0.00 0.00 57.88 57.66 2kiv h LEU 41 Cb 0.41 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.60 2kiv h LEU 41 CO 0.09 0.00 -1.46 0.25 -4.11 0.00 0.00 178.44 173.21 2kiv h LEU 42 N 0.00 0.20 -0.99 0.17 7.12 -0.89 -3.33 115.31 117.59 2kiv h LEU 42 Ca 0.40 -0.29 -0.09 0.00 0.13 0.00 0.00 57.88 58.04 2kiv h LEU 42 Cb 1.70 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.75 2kiv h LEU 42 CO -0.00 1.24 -0.21 -0.33 -0.13 0.00 0.00 178.44 179.01 2kiv h GLU 43 N 0.04 0.48 0.00 1.25 5.08 0.29 -3.32 114.58 118.41 2kiv h GLU 43 Ca -0.20 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2kiv h GLU 43 Cb 1.96 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.17 2kiv h GLU 43 CO 0.13 0.67 0.00 -0.89 -1.00 0.00 0.00 179.01 177.92 2kiv n ILE 44 N -4.15 0.00 0.00 3.13 2.08 -0.35 -4.87 119.36 115.21 2kiv n ILE 44 Ca -0.00 1.30 0.00 0.00 0.56 0.00 0.00 62.75 64.61 2kiv n ILE 44 Cb 0.38 -2.07 0.00 0.00 -0.75 0.00 0.00 39.64 37.20 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 -0.89 0.00 3.43 7.39 0.00 -1.25 -4.96 105.19 108.91 2kiv n GLY 45 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 4.49 0.01 -0.61 -1.09 -1.26 -4.93 121.20 117.81 2kiv s ILE 46 Ca 0.00 -0.62 -0.08 0.00 -2.23 0.00 0.00 60.65 57.72 2kiv s ILE 46 Cb 0.00 -4.63 -0.04 0.00 -1.58 0.00 0.00 42.46 36.20 2kiv s ILE 46 CO 0.00 -1.36 0.96 -0.07 -1.23 0.00 0.00 174.94 173.24 2kiv h LEU 47 N 10.89 -0.24 -8.46 2.97 4.07 -1.94 -3.41 115.31 119.18 2kiv h LEU 47 Ca -0.27 0.01 -0.55 0.00 0.08 0.00 0.00 57.88 57.15 2kiv h LEU 47 Cb 1.07 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.85 2kiv h LEU 47 CO 1.15 -0.15 1.59 -0.46 -1.08 0.00 0.00 178.44 179.49 2kiv n ASN 48 N -2.88 1.82 0.31 -0.43 0.23 -1.26 -4.76 115.26 108.29 2kiv n ASN 48 Ca -0.04 -0.00 0.17 0.00 -0.53 0.00 0.00 54.58 54.19 2kiv n ASN 48 Cb 0.11 -1.32 1.01 0.00 -2.08 0.00 0.00 39.78 37.50 2kiv n ASN 48 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2kiv h SER 49 N 15.18 0.00 0.21 0.53 4.64 -2.04 -1.12 113.55 130.95 2kiv h SER 49 Ca -0.21 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2kiv h SER 49 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2kiv h SER 49 CO 1.16 0.00 -0.02 1.23 -0.87 0.00 0.00 176.83 178.33 2kiv h GLY 50 N 0.00 0.00 2.00 -0.77 0.00 -1.96 -0.93 103.07 101.41 2kiv h GLY 50 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2kiv h GLY 50 CO -0.00 0.00 -0.21 0.84 0.00 0.00 0.00 176.54 177.17 2kiv h HIS 51 N 0.00 0.00 0.02 5.60 6.17 -1.58 -3.33 115.15 122.03 2kiv h HIS 51 Ca -0.00 0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.10 2kiv h HIS 51 Cb 0.13 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 30.00 2kiv h HIS 51 CO 0.00 0.21 -0.49 0.00 0.71 0.00 0.00 177.93 178.35 2kiv h ARG 52 N 0.00 -0.63 -0.97 5.26 3.08 -1.30 -0.92 114.38 118.89 2kiv h ARG 52 Ca -0.00 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.23 2kiv h ARG 52 Cb 1.03 0.14 -0.08 0.00 0.08 0.00 0.00 29.97 31.14 2kiv h ARG 52 CO 0.03 -0.42 0.61 1.96 -1.07 0.00 0.00 179.97 181.08 2kiv h GLN 53 N -0.66 0.86 0.66 0.04 4.20 -1.73 -0.16 115.11 118.33 2kiv h GLN 53 Ca 0.02 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2kiv h GLN 53 Cb 0.71 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2kiv h GLN 53 CO -0.33 0.57 -0.45 -0.09 -0.67 0.00 0.00 178.83 177.86 2kiv h ARG 54 N 0.88 -1.01 -0.31 1.46 9.65 -1.36 0.89 114.38 124.58 2kiv h ARG 54 Ca 0.49 0.07 0.04 0.00 -1.10 0.00 0.00 59.98 59.48 2kiv h ARG 54 Cb 0.60 0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 29.39 2kiv h ARG 54 CO -0.26 -0.67 0.21 0.82 2.80 0.00 0.00 179.97 182.87 2kiv h ILE 55 N -1.05 0.99 0.00 1.20 2.04 -0.86 -0.02 117.51 119.81 2kiv h ILE 55 Ca -0.09 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2kiv h ILE 55 Cb 0.85 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2kiv h ILE 55 CO 0.07 0.05 0.00 0.18 0.00 0.00 0.00 178.15 178.45 2kiv n LEU 56 N -4.49 0.16 -0.23 1.44 4.77 -0.10 -0.01 117.00 118.53 2kiv n LEU 56 Ca 0.03 0.75 0.24 0.00 -0.03 0.00 0.00 56.01 57.00 2kiv n LEU 56 Cb 0.19 -0.42 0.60 0.00 -2.33 0.00 0.00 43.42 41.45 2kiv n LEU 56 CO 0.35 -0.42 1.24 0.06 -1.33 0.00 0.00 177.39 177.28 2kiv h GLN 57 N 0.00 0.23 0.30 3.23 -0.00 -0.82 0.37 115.11 118.42 2kiv h GLN 57 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 2kiv h GLN 57 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 27.43 2kiv h GLN 57 CO 0.00 0.16 -0.14 0.00 -0.00 0.00 0.00 178.83 178.84 2kiv h ALA 58 N 1.59 -0.41 0.00 0.06 0.00 -1.02 0.27 119.26 119.75 2kiv h ALA 58 Ca 0.47 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2kiv h ALA 58 Cb 1.45 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2kiv h ALA 58 CO -0.13 -0.44 0.00 1.51 0.00 0.00 0.00 179.25 180.19 2kiv n ILE 59 N -5.06 1.17 -0.07 0.00 0.13 0.98 -0.10 119.36 116.41 2kiv n ILE 59 Ca -0.08 0.36 -0.04 0.00 -1.10 0.00 0.00 62.75 61.89 2kiv n ILE 59 Cb 0.25 -1.24 -0.16 0.00 -0.84 0.00 0.00 39.64 37.65 2kiv n ILE 59 CO 0.00 0.00 0.00 1.67 2.80 0.00 0.00 176.55 181.02 2kiv n GLN 60 N -1.79 0.68 -0.07 9.51 7.27 0.12 -4.56 117.38 128.54 2kiv n GLN 60 Ca 0.02 -0.06 -0.22 0.00 0.07 0.00 0.00 57.00 56.81 2kiv n GLN 60 Cb 0.13 -1.52 -0.12 0.00 2.41 0.00 0.00 30.24 31.14 2kiv n GLN 60 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2kiv h LEU 61 N 0.00 0.13 -9.49 1.69 5.85 0.20 -3.48 115.31 110.21 2kiv h LEU 61 Ca -0.39 -0.65 -0.55 0.00 0.84 0.00 0.00 57.88 57.13 2kiv h LEU 61 Cb 1.90 -0.04 0.21 0.00 0.37 0.00 0.00 40.66 43.09 2kiv h LEU 61 CO 0.02 1.61 -0.90 0.00 -0.34 0.00 0.00 178.44 178.83 2kiv n LEU 62 N -4.14 -1.68 -4.77 2.25 -0.00 0.86 -4.93 117.00 104.59 2kiv n LEU 62 Ca -0.32 0.39 -0.32 0.00 -0.00 0.00 0.00 56.01 55.75 2kiv n LEU 62 Cb 0.80 -1.07 0.06 0.00 -0.00 0.00 0.00 43.42 43.21 2kiv n LEU 62 CO 0.26 -4.20 0.73 -2.16 -0.00 0.00 0.00 177.39 172.02 2kiv s PRO 63 N -2.79 2.61 0.60 1.47 0.04 -1.26 -4.96 135.00 130.71 2kiv s PRO 63 Ca 0.55 1.31 -0.06 0.00 0.04 0.00 0.00 61.00 62.84 2kiv s PRO 63 Cb -0.26 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.36 2kiv s PRO 63 CO 0.69 -1.39 0.92 0.15 0.04 0.00 0.00 177.00 177.41 2kiv s LYS 64 N -4.38 2.89 -0.39 4.56 -0.14 -1.26 -5.01 119.74 116.00 2kiv s LYS 64 Ca 0.65 0.01 -0.29 0.00 -1.36 0.00 0.00 55.97 54.98 2kiv s LYS 64 Cb -0.19 -2.25 0.01 0.00 -1.68 0.00 0.00 37.83 33.72 2kiv s LYS 64 CO 0.47 -0.74 1.29 1.41 -0.76 0.00 0.00 175.35 177.02 2kiv s MET 65 N -5.02 3.73 0.48 1.68 1.75 -1.22 -4.78 119.30 115.92 2kiv s MET 65 Ca 0.54 0.93 0.00 0.00 -1.25 0.00 0.00 55.69 55.91 2kiv s MET 65 Cb -0.11 -3.94 0.00 0.00 2.84 0.00 0.00 34.83 33.63 2kiv s MET 65 CO 0.45 -1.36 0.00 0.54 -0.65 0.00 0.00 175.02 174.00 2kiv n ARG 66 N 7.74 -3.07 0.05 4.11 1.74 -1.26 -4.67 116.66 121.30 2kiv n ARG 66 Ca 0.15 2.43 -0.05 0.00 -0.77 0.00 0.00 57.85 59.60 2kiv n ARG 66 Cb 0.48 -3.17 0.15 0.00 -1.02 0.00 0.00 32.46 28.90 2kiv n ARG 66 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2kiv h PRO 67 N -0.31 0.39 -6.55 5.56 0.13 -2.03 -3.43 132.00 125.75 2kiv h PRO 67 Ca -0.06 -0.20 -0.52 0.00 -0.87 0.00 0.00 66.00 64.35 2kiv h PRO 67 Cb 0.89 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 2kiv h PRO 67 CO 0.02 0.76 0.21 -1.50 -0.23 0.00 0.00 178.00 177.26 2kiv s ILE 68 N -4.12 4.34 -0.09 -3.56 2.07 -1.26 -4.93 121.20 113.66 2kiv s ILE 68 Ca -0.06 1.77 0.03 0.00 -1.41 0.00 0.00 60.65 60.98 2kiv s ILE 68 Cb 0.13 -4.17 0.10 0.00 0.13 0.00 0.00 42.46 38.65 2kiv s ILE 68 CO 0.80 0.51 0.82 0.61 -1.91 0.00 0.00 174.94 175.77 2kiv n GLY 69 N 1.63 0.40 3.70 1.50 0.00 -1.26 -4.98 105.19 106.17 2kiv n GLY 69 Ca -0.05 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2kiv n GLY 69 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kiv s HIS 70 N 0.03 3.01 0.73 1.61 5.04 -1.26 -5.09 115.29 119.36 2kiv s HIS 70 Ca 0.02 -0.02 -0.14 0.00 -1.54 0.00 0.00 55.06 53.38 2kiv s HIS 70 Cb 0.11 -1.54 0.04 0.00 0.04 0.00 0.00 32.58 31.23 2kiv s HIS 70 CO -0.03 0.49 1.17 0.16 -2.34 0.00 0.00 174.74 174.18 2kiv s ASP 71 N -2.34 4.31 0.00 9.88 -4.77 -1.26 -4.77 116.67 117.72 2kiv s ASP 71 Ca 0.26 2.23 0.00 0.00 -3.30 0.00 0.00 52.55 51.74 2kiv s ASP 71 Cb -0.12 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.14 2kiv s ASP 71 CO 0.19 -2.18 0.00 0.61 0.70 0.00 0.00 175.17 174.49 2kiv n GLY 72 N 0.08 0.33 3.90 2.12 0.00 -1.26 -5.16 105.19 105.21 2kiv n GLY 72 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.63 3.35 -0.67 4.61 0.00 -1.26 -5.04 121.76 122.12 2kiv s ALA 73 Ca 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 51.96 51.58 2kiv s ALA 73 Cb 0.00 -2.68 0.27 0.00 0.00 0.00 0.00 23.12 20.72 2kiv s ALA 73 CO 0.00 -0.40 0.86 0.72 0.00 0.00 0.00 175.76 176.94 2kiv n HIS 74 N -2.33 3.61 -1.23 0.00 8.25 -1.26 -5.08 115.22 117.18 2kiv n HIS 74 Ca 0.02 -3.98 -0.30 0.00 -0.26 0.00 0.00 57.72 53.20 2kiv n HIS 74 Cb 0.55 -0.61 0.12 0.00 1.12 0.00 0.00 29.99 31.16 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 -2.73 1.73 -0.07 -0.41 0.04 -1.26 -5.01 135.00 127.30 2kiv s PRO 75 Ca 0.41 0.99 0.01 0.00 0.04 0.00 0.00 61.00 62.45 2kiv s PRO 75 Cb 0.17 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.81 2kiv s PRO 75 CO -0.03 -1.96 -0.05 2.41 0.04 0.00 0.00 177.00 177.42 2kiv n THR 76 N -3.71 0.39 -3.82 1.26 -1.04 -1.26 -5.01 114.28 101.09 2kiv n THR 76 Ca 0.08 -0.16 -0.05 0.00 -2.04 0.00 0.00 64.05 61.88 2kiv n THR 76 Cb 0.54 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 2kiv n THR 76 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kiv s SER 77 N -4.51 -0.09 0.30 8.00 0.01 -1.26 -4.69 113.70 111.45 2kiv s SER 77 Ca -0.08 -0.68 0.06 0.00 1.31 0.00 0.00 55.95 56.56 2kiv s SER 77 Cb 0.02 0.60 0.73 0.00 0.21 0.00 0.00 66.02 67.58 2kiv s SER 77 CO 0.17 -1.16 1.78 0.58 0.41 0.00 0.00 173.24 175.02 2kiv h VAL 78 N 2.00 0.71 0.60 3.43 2.07 -1.82 -0.23 116.25 123.01 2kiv h VAL 78 Ca -0.26 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 2kiv h VAL 78 Cb 1.23 -0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2kiv h VAL 78 CO 0.32 0.14 -0.29 0.00 0.02 0.00 0.00 177.57 177.76 2kiv h ALA 79 N 1.64 -1.12 -0.89 1.67 0.00 -1.94 0.25 119.26 118.88 2kiv h ALA 79 Ca 0.58 -0.18 0.24 0.00 0.00 0.00 0.00 54.91 55.55 2kiv h ALA 79 Cb 0.88 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2kiv h ALA 79 CO -0.38 -1.06 0.62 0.93 0.00 0.00 0.00 179.25 179.36 2kiv h GLU 80 N -0.87 0.15 0.45 0.00 4.39 -1.86 0.97 114.58 117.81 2kiv h GLU 80 Ca -0.08 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2kiv h GLU 80 Cb 0.62 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2kiv h GLU 80 CO 0.13 0.10 -0.22 2.35 -1.16 0.00 0.00 179.01 180.22 2kiv h TRP 81 N 0.15 -0.56 -0.05 4.33 7.01 -0.84 -3.18 115.95 122.82 2kiv h TRP 81 Ca 0.44 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.44 2kiv h TRP 81 Cb 1.49 0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 28.74 2kiv h TRP 81 CO -0.00 -0.35 0.11 -0.07 -2.79 0.00 0.00 178.44 175.34 2kiv h LEU 82 N -1.09 0.00 -2.10 0.65 3.38 -0.33 -1.08 115.31 114.75 2kiv h LEU 82 Ca -0.06 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.00 2kiv h LEU 82 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2kiv h LEU 82 CO 0.10 0.00 0.31 -0.78 0.09 0.00 0.00 178.44 178.16 2kiv h ASP 83 N 0.00 0.00 0.23 -0.43 3.58 -0.80 0.26 116.42 119.25 2kiv h ASP 83 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2kiv h ASP 83 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2kiv h ASP 83 CO -0.00 0.00 -1.27 -0.24 -2.88 0.00 0.00 179.24 174.85 2kiv n SER 84 N -3.87 0.55 -0.64 2.28 2.88 -0.41 -4.04 113.62 110.37 2kiv n SER 84 Ca 0.05 -0.34 0.05 0.00 -1.33 0.00 0.00 58.87 57.30 2kiv n SER 84 Cb 0.47 1.15 0.15 0.00 -0.75 0.00 0.00 64.21 65.22 2kiv n SER 84 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2kiv n ILE 85 N -1.94 0.50 -2.24 2.46 2.08 0.87 -4.88 119.36 116.20 2kiv n ILE 85 Ca 0.01 -0.45 -0.20 0.00 0.56 0.00 0.00 62.75 62.66 2kiv n ILE 85 Cb 0.45 0.18 -0.02 0.00 -0.75 0.00 0.00 39.64 39.49 2kiv n ILE 85 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2kiv n GLU 86 N 0.46 -1.68 -4.50 0.38 1.02 -1.06 -4.96 120.64 110.29 2kiv n GLU 86 Ca 0.11 1.01 -0.23 0.00 -0.02 0.00 0.00 57.16 58.04 2kiv n GLU 86 Cb 0.30 -5.62 -0.14 0.00 -0.02 0.00 0.00 31.44 25.97 2kiv n GLU 86 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kiv s LEU 87 N -5.73 2.17 0.00 -4.62 1.43 -1.05 -5.03 118.68 105.84 2kiv s LEU 87 Ca 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 2kiv s LEU 87 Cb 0.00 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.44 2kiv s LEU 87 CO 0.00 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.29 2kiv n GLY 88 N 1.90 0.00 0.35 -3.19 0.00 -1.26 -4.03 105.19 98.95 2kiv n GLY 88 Ca -0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.93 2kiv n GLY 88 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kiv h ASP 89 N 0.00 0.80 -0.83 1.61 3.32 -2.00 0.89 116.42 120.20 2kiv h ASP 89 Ca 0.00 0.07 0.23 0.00 0.02 0.00 0.00 57.03 57.35 2kiv h ASP 89 Cb 0.18 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 2kiv h ASP 89 CO 0.00 0.37 0.59 1.88 -1.72 0.00 0.00 179.24 180.35 2kiv h TYR 90 N 0.84 0.13 -1.02 4.55 0.05 -2.01 -0.17 116.97 119.35 2kiv h TYR 90 Ca 0.51 0.00 0.25 0.00 0.05 0.00 0.00 58.73 59.54 2kiv h TYR 90 Cb 0.65 -0.04 -0.11 0.00 1.01 0.00 0.00 36.73 38.24 2kiv h TYR 90 CO -0.02 0.03 0.63 1.15 -1.05 0.00 0.00 178.16 178.90 2kiv h THR 91 N 0.10 0.56 0.54 -2.88 2.02 -1.15 0.15 112.91 112.25 2kiv h THR 91 Ca 0.41 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.38 2kiv h THR 91 Cb 1.46 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2kiv h THR 91 CO -0.05 0.09 -0.26 0.50 0.37 0.00 0.00 175.52 176.18 2kiv h LYS 92 N 0.52 -0.71 -0.24 6.66 3.64 -1.18 -0.06 116.57 125.20 2kiv h LYS 92 Ca 0.61 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 60.04 2kiv h LYS 92 Cb 1.31 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 2kiv h LYS 92 CO -0.38 -0.44 0.15 0.00 -2.27 0.00 0.00 179.45 176.51 2kiv h ALA 93 N -0.37 0.31 -0.60 5.00 0.00 -1.36 -0.99 119.26 121.25 2kiv h ALA 93 Ca -0.07 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2kiv h ALA 93 Cb 0.59 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2kiv h ALA 93 CO 0.12 -0.19 0.29 0.74 0.00 0.00 0.00 179.25 180.21 2kiv h PHE 94 N 0.30 0.52 0.54 0.00 0.04 -0.71 0.26 116.94 117.89 2kiv h PHE 94 Ca 0.09 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.86 2kiv h PHE 94 Cb 0.02 -0.14 0.01 0.00 2.20 0.00 0.00 35.95 38.03 2kiv h PHE 94 CO -0.05 0.21 -0.26 -0.07 -0.60 0.00 0.00 178.31 177.54 2kiv h LEU 95 N 0.53 -0.62 -1.99 1.54 3.38 -0.73 0.68 115.31 118.10 2kiv h LEU 95 Ca 0.28 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.47 2kiv h LEU 95 Cb 0.25 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2kiv h LEU 95 CO -0.22 -0.38 0.52 0.16 0.09 0.00 0.00 178.44 178.60 2kiv h ILE 96 N -0.86 0.57 -0.25 1.22 3.07 -1.10 0.24 117.51 120.40 2kiv h ILE 96 Ca -0.07 0.00 -0.11 0.00 1.55 0.00 0.00 64.86 66.22 2kiv h ILE 96 Cb 0.56 0.63 -0.01 0.00 -0.27 0.00 0.00 36.82 37.73 2kiv h ILE 96 CO 0.12 0.00 -0.31 0.78 -1.05 0.00 0.00 178.15 177.69 2kiv h ASN 97 N 0.00 0.53 0.00 2.16 -0.26 -0.31 -3.47 115.58 114.23 2kiv h ASN 97 Ca 0.32 -0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 2kiv h ASN 97 Cb 1.34 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 2kiv h ASN 97 CO -0.00 0.82 0.00 0.61 -1.06 0.00 0.00 177.43 177.79 2kiv n GLY 98 N -0.22 1.35 3.48 2.83 0.00 0.83 -5.08 105.19 108.38 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 -1.78 2.67 -0.08 1.61 2.02 0.19 -4.74 117.35 117.22 2kiv s TYR 99 Ca 0.00 -0.62 0.02 0.00 -0.37 0.00 0.00 57.07 56.09 2kiv s TYR 99 Cb 0.00 -4.38 -0.06 0.00 -0.40 0.00 0.00 41.96 37.12 2kiv s TYR 99 CO 0.00 -1.72 -0.06 0.25 -1.57 0.00 0.00 175.55 172.45 2kiv n THR 100 N 6.01 0.50 -4.21 -0.71 -2.24 -1.26 -4.36 114.28 108.01 2kiv n THR 100 Ca 0.05 -0.22 -0.35 0.00 -2.27 0.00 0.00 64.05 61.26 2kiv n THR 100 Cb 0.47 -0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 67.79 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 -4.66 5.49 0.17 3.42 0.01 -1.26 -4.37 113.70 112.50 2kiv s SER 101 Ca -0.10 0.17 -0.14 0.00 1.31 0.00 0.00 55.95 57.18 2kiv s SER 101 Cb 0.03 -1.71 0.14 0.00 0.21 0.00 0.00 66.02 64.68 2kiv s SER 101 CO 0.22 0.32 1.72 -0.03 0.41 0.00 0.00 173.24 175.89 2kiv h MET 102 N 5.58 0.22 -1.16 12.44 4.05 -1.92 -0.66 114.93 133.48 2kiv h MET 102 Ca -0.47 -0.01 0.33 0.00 -0.28 0.00 0.00 59.70 59.26 2kiv h MET 102 Cb 1.19 -0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 31.86 2kiv h MET 102 CO 0.59 0.15 0.78 -0.44 0.23 0.00 0.00 176.91 178.22 2kiv h ASP 103 N 0.23 0.25 -0.68 1.39 3.32 -1.99 0.22 116.42 119.16 2kiv h ASP 103 Ca 0.21 0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.41 2kiv h ASP 103 Cb 0.26 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 2kiv h ASP 103 CO -0.27 0.01 0.34 0.25 -1.72 0.00 0.00 179.24 177.85 2kiv h LEU 104 N 0.20 0.44 -2.56 1.55 7.12 -1.53 0.14 115.31 120.67 2kiv h LEU 104 Ca 0.63 0.06 -0.00 0.00 0.13 0.00 0.00 57.88 58.69 2kiv h LEU 104 Cb 1.98 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 42.09 2kiv h LEU 104 CO -0.21 0.26 -0.02 -0.07 -0.13 0.00 0.00 178.44 178.27 2kiv h LEU 105 N 0.58 0.00 -1.65 2.25 3.38 -0.64 -0.78 115.31 118.45 2kiv h LEU 105 Ca 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 2kiv h LEU 105 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kiv h LEU 105 CO -0.26 0.02 -0.09 0.50 0.09 0.00 0.00 178.44 178.70 2kiv h LYS 106 N 0.00 0.00 -0.60 1.13 3.64 -0.72 -2.14 116.57 117.88 2kiv h LYS 106 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2kiv h LYS 106 Cb 0.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2kiv h LYS 106 CO 0.00 0.09 0.01 1.63 -2.27 0.00 0.00 179.45 178.91 2kiv n LYS 107 N -3.30 4.81 -5.10 1.90 5.02 -0.30 -4.92 118.16 116.28 2kiv n LYS 107 Ca -0.00 -3.10 -0.32 0.00 -2.02 0.00 0.00 58.31 52.86 2kiv n LYS 107 Cb 0.30 -2.26 -0.15 0.00 -0.02 0.00 0.00 35.03 32.90 2kiv n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kiv s ILE 108 N -2.75 2.55 0.14 -0.18 1.09 -0.81 -5.09 121.20 116.15 2kiv s ILE 108 Ca 0.54 -0.92 0.01 0.00 -1.10 0.00 0.00 60.65 59.18 2kiv s ILE 108 Cb 0.41 -1.95 0.01 0.00 -1.06 0.00 0.00 42.46 39.87 2kiv s ILE 108 CO 0.16 0.58 0.04 0.00 -0.10 0.00 0.00 174.94 175.62 2kiv n ALA 109 N 2.43 0.16 0.26 9.38 0.00 -1.26 -4.96 120.51 126.52 2kiv n ALA 109 Ca -0.17 -0.62 -0.16 0.00 0.00 0.00 0.00 53.44 52.49 2kiv n ALA 109 Cb 0.52 0.31 -0.08 0.00 0.00 0.00 0.00 19.45 20.20 2kiv n ALA 109 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2kiv h GLU 110 N 0.00 -0.74 -0.65 0.00 4.81 -2.00 0.41 114.58 116.40 2kiv h GLU 110 Ca -0.11 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.25 2kiv h GLU 110 Cb 0.35 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 2kiv h GLU 110 CO 0.18 -0.49 0.31 -0.24 -0.73 0.00 0.00 179.01 178.04 2kiv h VAL 111 N -0.77 0.86 -0.50 0.32 3.04 -1.98 -0.46 116.25 116.77 2kiv h VAL 111 Ca -0.04 -0.19 -0.02 0.00 -1.01 0.00 0.00 66.70 65.44 2kiv h VAL 111 Cb 0.66 0.26 -0.02 0.00 -2.01 0.00 0.00 31.29 30.18 2kiv h VAL 111 CO -0.01 0.10 0.22 -0.33 -1.01 0.00 0.00 177.57 176.55 2kiv h GLU 112 N 0.56 0.70 -0.22 4.17 4.39 -1.88 0.41 114.58 122.71 2kiv h GLU 112 Ca 0.31 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.84 2kiv h GLU 112 Cb 0.31 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2kiv h GLU 112 CO -0.25 0.56 -0.19 1.25 -1.16 0.00 0.00 179.01 179.22 2kiv h LEU 113 N 0.70 0.54 -0.13 1.33 5.85 0.44 0.36 115.31 124.40 2kiv h LEU 113 Ca 0.17 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2kiv h LEU 113 Cb 0.10 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2kiv h LEU 113 CO -0.02 0.89 0.00 0.40 -0.34 0.00 0.00 178.44 179.37 2kiv h ILE 114 N 0.20 0.00 0.00 4.05 2.04 -0.82 0.46 117.51 123.44 2kiv h ILE 114 Ca 0.04 -0.48 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 2kiv h ILE 114 Cb 0.73 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 2kiv h ILE 114 CO 0.05 0.00 -1.78 0.59 0.00 0.00 0.00 178.15 177.01 2kiv n ASN 115 N -2.34 0.27 -0.05 1.72 4.13 0.14 -3.36 115.26 115.77 2kiv n ASN 115 Ca 0.05 0.11 -0.10 0.00 1.68 0.00 0.00 54.58 56.32 2kiv n ASN 115 Cb 0.41 1.35 -0.03 0.00 -1.54 0.00 0.00 39.78 39.96 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 -2.48 1.25 0.17 2.41 0.31 0.12 -4.69 118.33 115.43 2kiv n VAL 116 Ca -0.07 0.09 0.11 0.00 -0.01 0.00 0.00 64.34 64.45 2kiv n VAL 116 Cb 0.67 -1.95 0.10 0.00 -0.91 0.00 0.00 33.84 31.75 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 -0.61 0.00 -1.43 7.52 -0.00 -0.39 -3.48 115.31 116.92 2kiv h LEU 117 Ca -0.14 0.00 -0.37 0.00 -0.00 0.00 0.00 57.88 57.37 2kiv h LEU 117 Cb 0.87 0.00 0.13 0.00 -0.00 0.00 0.00 40.66 41.66 2kiv h LEU 117 CO -0.09 0.03 -0.76 0.29 -0.00 0.00 0.00 178.44 177.92 2kiv n LYS 118 N -2.94 -6.66 -3.20 1.13 4.76 0.62 -4.95 118.16 106.92 2kiv n LYS 118 Ca 0.02 0.80 -0.41 0.00 -2.87 0.00 0.00 58.31 55.85 2kiv n LYS 118 Cb 0.55 -5.75 -0.07 0.00 -1.84 0.00 0.00 35.03 27.92 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 -3.39 5.00 -0.02 -0.18 1.01 -1.23 -4.87 121.20 117.52 2kiv s ILE 119 Ca 0.19 0.65 0.02 0.00 0.00 0.00 0.00 60.65 61.50 2kiv s ILE 119 Cb -0.08 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 2kiv s ILE 119 CO 0.75 -0.12 0.02 0.59 0.00 0.00 0.00 174.94 176.18 2kiv n ASN 120 N 5.74 4.49 -4.63 3.58 3.02 -1.26 -4.60 115.26 121.61 2kiv n ASN 120 Ca -0.03 0.00 -0.48 0.00 -0.03 0.00 0.00 54.58 54.03 2kiv n ASN 120 Cb 0.49 0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 40.27 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 -1.98 2.35 0.13 3.41 7.94 -1.26 -4.83 117.00 122.76 2kiv n LEU 121 Ca -0.03 1.11 -0.08 0.00 -1.11 0.00 0.00 56.01 55.90 2kiv n LEU 121 Cb 0.47 -1.31 -0.05 0.00 0.53 0.00 0.00 43.42 43.06 2kiv n LEU 121 CO 0.04 -0.75 0.51 0.40 -1.11 0.00 0.00 177.39 176.49 2kiv h ILE 122 N 3.27 0.00 -0.32 1.96 1.08 -1.90 0.27 117.51 121.86 2kiv h ILE 122 Ca -0.46 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.05 2kiv h ILE 122 Cb 1.30 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.99 2kiv h ILE 122 CO 0.80 0.00 -0.38 1.23 -0.69 0.00 0.00 178.15 179.11 2kiv h GLY 123 N -0.47 -1.34 0.20 5.37 0.00 -0.79 0.29 103.07 106.33 2kiv h GLY 123 Ca -0.03 0.78 0.16 0.00 0.00 0.00 0.00 47.33 48.24 2kiv h GLY 123 CO -0.04 -0.32 0.53 0.45 0.00 0.00 0.00 176.54 177.16 2kiv h HIS 124 N -0.24 0.93 0.03 5.60 3.86 -1.77 0.31 115.15 123.87 2kiv h HIS 124 Ca 0.06 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2kiv h HIS 124 Cb 0.38 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.58 2kiv h HIS 124 CO -0.72 0.23 -0.01 -0.09 0.86 0.00 0.00 177.93 178.19 2kiv h ARG 125 N 0.71 -0.04 -0.76 2.45 2.43 0.14 -0.72 114.38 118.59 2kiv h ARG 125 Ca 0.52 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.85 2kiv h ARG 125 Cb 0.75 0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 30.20 2kiv h ARG 125 CO -0.37 -0.03 0.24 -0.22 -1.51 0.00 0.00 179.97 178.08 2kiv h LYS 126 N -0.05 0.32 0.02 0.20 1.63 -0.36 0.29 116.57 118.62 2kiv h LYS 126 Ca -0.00 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2kiv h LYS 126 Cb 0.03 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2kiv h LYS 126 CO 0.01 0.21 -0.02 0.00 -3.45 0.00 0.00 179.45 176.20 2kiv h ARG 127 N 0.33 -0.03 -0.16 1.90 3.08 -0.39 0.26 114.38 119.37 2kiv h ARG 127 Ca 0.43 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.53 2kiv h ARG 127 Cb 0.73 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.72 2kiv h ARG 127 CO -0.48 -0.02 -0.26 0.82 -1.07 0.00 0.00 179.97 178.95 2kiv h ILE 128 N -0.03 0.37 -0.94 2.04 2.04 -0.86 -0.04 117.51 120.10 2kiv h ILE 128 Ca -0.00 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.07 2kiv h ILE 128 Cb 0.03 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 36.41 2kiv h ILE 128 CO -0.00 0.00 0.61 0.25 0.00 0.00 0.00 178.15 179.01 2kiv h LEU 129 N -0.32 0.44 -0.03 1.44 7.12 -0.42 -0.84 115.31 122.70 2kiv h LEU 129 Ca 0.11 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.16 2kiv h LEU 129 Cb 0.48 -0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.59 2kiv h LEU 129 CO -0.34 0.16 -0.03 0.00 -0.13 0.00 0.00 178.44 178.10 2kiv h ALA 130 N 1.61 0.04 -0.72 1.25 0.00 0.13 0.17 119.26 121.75 2kiv h ALA 130 Ca 0.50 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2kiv h ALA 130 Cb 1.21 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 2kiv h ALA 130 CO -0.21 -0.19 0.40 0.66 0.00 0.00 0.00 179.25 179.92 2kiv h SER 131 N -0.38 0.59 0.39 0.00 4.64 0.12 -1.83 113.55 117.07 2kiv h SER 131 Ca 0.01 0.04 -0.20 0.00 -0.47 0.00 0.00 61.79 61.16 2kiv h SER 131 Cb 0.52 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2kiv h SER 131 CO 0.01 0.36 -0.86 -0.07 -0.87 0.00 0.00 176.83 175.40 2kiv h LEU 132 N 0.72 0.43 -6.00 5.97 3.38 -1.22 -3.44 115.31 115.14 2kiv h LEU 132 Ca 0.33 -0.32 0.14 0.00 0.09 0.00 0.00 57.88 58.12 2kiv h LEU 132 Cb 0.24 -0.13 -0.21 0.00 0.09 0.00 0.00 40.66 40.65 2kiv h LEU 132 CO -0.20 1.10 -0.13 -0.83 0.09 0.00 0.00 178.44 178.47 2kiv s GLY 133 N -4.41 -0.82 0.29 0.83 0.00 0.61 -5.02 107.32 98.79 2kiv s GLY 133 Ca -0.05 2.05 0.14 0.00 0.00 0.00 0.00 44.72 46.87 2kiv s GLY 133 CO 0.85 3.65 1.56 -0.55 0.00 0.00 0.00 173.10 178.61 2kiv h ASP 134 N 7.92 0.00 -0.03 1.64 3.32 -1.56 -3.34 116.42 124.37 2kiv h ASP 134 Ca -0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2kiv h ASP 134 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2kiv h ASP 134 CO 0.09 0.56 0.00 -1.14 -1.72 0.00 0.00 179.24 177.03