#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 3.23 -0.16 5.55 2.00 -1.26 -5.09 119.66 123.93 2kiv s GLN 2 Ca 0.00 -0.19 -0.00 0.00 -2.00 0.00 0.00 55.36 53.17 2kiv s GLN 2 Cb 0.00 -2.47 -0.00 0.00 0.80 0.00 0.00 33.01 31.33 2kiv s GLN 2 CO 0.00 -0.26 -0.14 0.99 -0.50 0.00 0.00 175.29 175.38 2kiv s THR 3 N -2.65 2.77 0.26 -0.34 2.01 -1.26 -4.17 115.64 112.26 2kiv s THR 3 Ca 0.48 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 2kiv s THR 3 Cb -0.10 -2.18 0.23 0.00 0.01 0.00 0.00 72.50 70.46 2kiv s THR 3 CO 0.41 0.51 1.74 0.58 -0.69 0.00 0.00 174.62 177.17 2kiv h VAL 4 N 5.66 0.68 0.01 3.82 2.07 -1.93 -1.07 116.25 125.49 2kiv h VAL 4 Ca -0.34 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2kiv h VAL 4 Cb 1.18 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2kiv h VAL 4 CO 0.58 0.10 -0.01 1.23 0.02 0.00 0.00 177.57 179.48 2kiv h GLY 5 N 0.52 -0.02 0.83 2.17 0.00 -1.92 0.26 103.07 104.91 2kiv h GLY 5 Ca 0.45 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.79 2kiv h GLY 5 CO -0.39 -0.02 -0.16 -1.61 0.00 0.00 0.00 176.54 174.37 2kiv h GLN 6 N -0.03 -0.34 0.61 4.80 4.15 -1.77 0.24 115.11 122.77 2kiv h GLN 6 Ca 0.00 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 2kiv h GLN 6 Cb 0.03 0.08 0.01 0.00 0.21 0.00 0.00 27.48 27.80 2kiv h GLN 6 CO -0.01 -0.22 -0.29 2.35 -1.93 0.00 0.00 178.83 178.73 2kiv h TRP 7 N -0.35 -0.76 -0.24 3.99 7.01 -1.15 0.02 115.95 124.48 2kiv h TRP 7 Ca -0.00 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.05 2kiv h TRP 7 Cb 0.32 0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 2kiv h TRP 7 CO -0.13 -0.47 0.21 1.25 -2.79 0.00 0.00 178.44 176.51 2kiv h LEU 8 N -0.83 0.00 0.01 0.65 5.85 -0.42 -0.68 115.31 119.89 2kiv h LEU 8 Ca -0.08 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.36 2kiv h LEU 8 Cb 0.63 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.68 2kiv h LEU 8 CO 0.14 0.00 -1.08 -0.08 -0.34 0.00 0.00 178.44 177.08 2kiv h GLU 9 N 0.00 0.68 -0.36 1.25 4.22 0.05 0.30 114.58 120.73 2kiv h GLU 9 Ca 0.11 -0.76 -0.08 0.00 0.08 0.00 0.00 59.36 58.71 2kiv h GLU 9 Cb 0.53 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2kiv h GLU 9 CO -0.00 1.33 -0.09 1.03 -2.18 0.00 0.00 179.01 179.10 2kiv h SER 10 N 0.37 0.71 0.91 1.04 0.87 0.40 -3.16 113.55 114.69 2kiv h SER 10 Ca -0.14 -0.37 -0.23 0.00 -1.23 0.00 0.00 61.79 59.83 2kiv h SER 10 Cb 1.73 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 63.47 2kiv h SER 10 CO 0.21 0.91 -1.10 0.16 -0.53 0.00 0.00 176.83 176.48 2kiv h ILE 11 N 0.50 1.60 0.00 2.23 3.07 -1.30 -3.48 117.51 120.14 2kiv h ILE 11 Ca 0.09 -3.31 0.00 0.00 1.55 0.00 0.00 64.86 63.19 2kiv h ILE 11 Cb 0.61 2.81 0.00 0.00 -0.27 0.00 0.00 36.82 39.97 2kiv h ILE 11 CO 0.04 0.92 0.00 0.61 -1.05 0.00 0.00 178.15 178.67 2kiv n GLY 12 N 1.39 2.36 3.31 0.16 0.00 0.90 -4.89 105.19 108.42 2kiv n GLY 12 Ca -0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 0.48 0.00 0.99 1.43 -0.22 -4.60 118.68 116.77 2kiv s LEU 13 Ca 0.00 -0.30 0.15 0.00 -1.03 0.00 0.00 54.13 52.95 2kiv s LEU 13 Cb 0.00 1.76 0.67 0.00 0.03 0.00 0.00 46.19 48.65 2kiv s LEU 13 CO 0.00 -0.82 1.44 -0.81 0.23 0.00 0.00 176.35 176.39 2kiv n PRO 14 N -0.11 0.09 0.07 1.29 -0.04 -1.26 -3.16 135.00 131.88 2kiv n PRO 14 Ca -0.16 0.21 0.20 0.00 -0.04 0.00 0.00 63.50 63.71 2kiv n PRO 14 Cb 0.63 -1.50 0.74 0.00 -0.04 0.00 0.00 33.50 33.33 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 -1.95 0.18 115.11 114.95 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 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2kiv h GLN 15 CO 0.00 0.00 -1.27 0.66 -0.95 0.00 0.00 178.83 177.27 2kiv n TYR 16 N -3.95 0.00 -0.01 2.96 4.01 -1.19 -4.52 117.16 114.46 2kiv n TYR 16 Ca 0.07 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.72 2kiv n TYR 16 Cb 0.58 -0.17 -0.03 0.00 -0.31 0.00 0.00 39.34 39.41 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 -0.33 -0.44 -0.72 4.81 -0.80 0.15 114.58 117.25 2kiv h GLU 17 Ca 0.00 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.34 2kiv h GLU 17 Cb 0.61 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.98 2kiv h GLU 17 CO 0.00 -0.22 -0.08 -0.97 -0.73 0.00 0.00 179.01 177.02 2kiv h ASN 18 N -0.34 -0.34 0.17 1.04 -1.24 -1.79 -1.07 115.58 112.01 2kiv h ASN 18 Ca 0.11 0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.25 2kiv h ASN 18 Cb 0.51 0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.79 2kiv h ASN 18 CO -0.36 -0.12 -0.20 0.45 -1.29 0.00 0.00 177.43 175.91 2kiv h HIS 19 N 0.03 -0.54 -0.07 0.67 3.86 -1.63 -0.88 115.15 116.60 2kiv h HIS 19 Ca 0.22 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.46 2kiv h HIS 19 Cb 0.33 0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.95 2kiv h HIS 19 CO -0.35 -0.30 -0.50 -0.07 0.86 0.00 0.00 177.93 177.56 2kiv h LEU 20 N -0.42 -1.56 -0.09 2.43 4.07 -0.39 0.34 115.31 119.69 2kiv h LEU 20 Ca 0.01 0.19 0.04 0.00 0.08 0.00 0.00 57.88 58.19 2kiv h LEU 20 Cb 0.41 0.61 -0.06 0.00 1.08 0.00 0.00 40.66 42.70 2kiv h LEU 20 CO -0.07 -0.49 -0.38 -0.03 -1.08 0.00 0.00 178.44 176.39 2kiv h MET 21 N -0.60 -0.47 -0.05 1.13 4.05 0.07 0.49 114.93 119.56 2kiv h MET 21 Ca 0.04 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 2kiv h MET 21 Cb 0.69 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.59 2kiv h MET 21 CO -0.39 -0.31 0.10 0.00 0.23 0.00 0.00 176.91 176.54 2kiv h ALA 22 N 0.18 1.40 -0.39 0.39 0.00 -0.72 0.15 119.26 120.28 2kiv h ALA 22 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kiv h ALA 22 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kiv h ALA 22 CO -0.36 -0.13 0.00 0.09 0.00 0.00 0.00 179.25 178.86 2kiv n ASN 23 N -3.45 4.14 0.00 0.00 4.13 0.12 -4.87 115.26 115.33 2kiv n ASN 23 Ca -0.02 -2.61 0.00 0.00 1.68 0.00 0.00 54.58 53.64 2kiv n ASN 23 Cb 0.19 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 37.81 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 0.45 3.08 2.80 7.41 0.00 0.54 -0.03 105.19 119.44 2kiv n GLY 24 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.09 3.24 -0.05 1.61 3.72 0.14 -4.40 117.46 120.64 2kiv n PHE 25 Ca 0.00 -2.77 0.01 0.00 -0.05 0.00 0.00 57.45 54.64 2kiv n PHE 25 Cb 0.00 -2.41 -0.14 0.00 -0.94 0.00 0.00 39.48 35.99 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 6.36 0.64 -4.24 4.37 5.68 -1.26 -1.33 116.55 126.76 2kiv n ASP 26 Ca 0.52 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 54.48 2kiv n ASP 26 Cb 0.39 1.41 -0.16 0.00 -1.14 0.00 0.00 41.12 41.62 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 -4.68 3.47 0.64 -1.12 2.47 -1.26 -4.46 114.94 110.00 2kiv s ASN 27 Ca -0.08 -0.50 0.35 0.00 0.42 0.00 0.00 52.86 53.05 2kiv s ASN 27 Cb 0.09 -1.52 1.97 0.00 -1.45 0.00 0.00 41.25 40.34 2kiv s ASN 27 CO 0.76 0.10 2.18 0.58 -3.72 0.00 0.00 177.10 177.00 2kiv h VAL 28 N 5.69 0.18 -0.24 -5.21 2.07 -1.92 -0.87 116.25 115.94 2kiv h VAL 28 Ca -0.30 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.29 2kiv h VAL 28 Cb 1.20 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2kiv h VAL 28 CO 0.55 0.00 0.17 1.56 0.02 0.00 0.00 177.57 179.87 2kiv h GLN 29 N 0.00 0.01 -0.32 1.57 1.08 -1.94 -0.65 115.11 114.86 2kiv h GLN 29 Ca 0.03 -0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.32 2kiv h GLN 29 Cb 0.30 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2kiv h GLN 29 CO -0.00 0.01 0.34 0.00 -0.95 0.00 0.00 178.83 178.23 2kiv h ALA 30 N 1.88 2.02 0.00 3.87 0.00 -1.55 0.24 119.26 125.71 2kiv h ALA 30 Ca 0.11 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 2kiv h ALA 30 Cb 0.44 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2kiv h ALA 30 CO -0.00 -0.51 -0.87 0.52 0.00 0.00 0.00 179.25 178.39 2kiv h MET 31 N 0.00 0.00 0.16 0.00 2.86 -1.32 -3.30 114.93 113.33 2kiv h MET 31 Ca 0.15 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2kiv h MET 31 Cb 0.84 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 2kiv h MET 31 CO -0.00 0.87 -0.48 0.78 1.06 0.00 0.00 176.91 179.13 2kiv h GLY 32 N 2.64 -1.18 0.35 8.32 0.00 -0.61 -0.99 103.07 111.60 2kiv h GLY 32 Ca -0.01 0.63 0.08 0.00 0.00 0.00 0.00 47.33 48.03 2kiv h GLY 32 CO 0.11 -0.30 0.07 1.48 0.00 0.00 0.00 176.54 177.90 2kiv h SER 33 N -0.72 -0.05 -1.78 0.19 4.64 -1.69 -3.40 113.55 110.73 2kiv h SER 33 Ca -0.01 0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.27 2kiv h SER 33 Cb 0.71 0.14 -0.29 0.00 -0.31 0.00 0.00 62.40 62.65 2kiv h SER 33 CO -0.24 0.00 -0.46 0.20 -0.87 0.00 0.00 176.83 175.46 2kiv s ASN 34 N -5.29 0.09 0.56 4.97 -0.87 -0.99 -4.95 114.94 108.46 2kiv s ASN 34 Ca -0.13 0.23 -0.20 0.00 -1.57 0.00 0.00 52.86 51.19 2kiv s ASN 34 Cb 0.15 1.22 -0.06 0.00 -0.02 0.00 0.00 41.25 42.54 2kiv s ASN 34 CO 0.72 -0.30 0.92 1.33 -2.57 0.00 0.00 177.10 177.20 2kiv n VAL 35 N 5.37 3.24 -1.47 1.60 0.24 -0.41 -4.43 118.33 122.47 2kiv n VAL 35 Ca -0.03 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.34 61.40 2kiv n VAL 35 Cb 0.50 -1.10 0.05 0.00 -1.47 0.00 0.00 33.84 31.83 2kiv n VAL 35 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2kiv n MET 36 N -0.64 0.58 -4.48 7.34 2.81 -1.26 -5.02 117.12 116.46 2kiv n MET 36 Ca 0.12 0.24 -0.23 0.00 -1.81 0.00 0.00 57.70 56.02 2kiv n MET 36 Cb 0.46 -1.93 -0.11 0.00 -0.71 0.00 0.00 33.22 30.93 2kiv n MET 36 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2kiv s GLU 37 N -2.56 1.71 0.14 0.03 2.12 -1.26 -4.90 118.70 113.98 2kiv s GLU 37 Ca 0.71 -1.96 -0.19 0.00 0.36 0.00 0.00 54.97 53.89 2kiv s GLU 37 Cb -0.41 -0.97 0.00 0.00 0.26 0.00 0.00 34.13 33.02 2kiv s GLU 37 CO 0.52 -0.18 1.69 0.38 -0.54 0.00 0.00 175.26 177.13 2kiv h ASP 38 N 2.05 -0.24 -0.59 -1.70 3.04 -1.98 -0.07 116.42 116.93 2kiv h ASP 38 Ca -0.41 0.08 0.03 0.00 -3.24 0.00 0.00 57.03 53.49 2kiv h ASP 38 Cb 1.25 0.16 -0.04 0.00 -1.04 0.00 0.00 39.33 39.65 2kiv h ASP 38 CO 0.71 -0.08 0.35 -0.61 -2.04 0.00 0.00 179.24 177.56 2kiv h GLN 39 N -0.00 0.66 0.35 4.15 5.75 -1.97 0.90 115.11 124.94 2kiv h GLN 39 Ca 0.12 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 2kiv h GLN 39 Cb 0.19 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.59 2kiv h GLN 39 CO -0.26 0.44 -0.17 -0.44 -2.65 0.00 0.00 178.83 175.75 2kiv h ASP 40 N 0.68 -0.39 -0.89 -0.69 3.32 -1.80 0.12 116.42 116.76 2kiv h ASP 40 Ca 0.24 0.01 0.25 0.00 0.02 0.00 0.00 57.03 57.55 2kiv h ASP 40 Cb 0.06 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 2kiv h ASP 40 CO -0.12 -0.27 0.63 0.17 -1.72 0.00 0.00 179.24 177.92 2kiv h LEU 41 N -0.48 0.09 -0.39 1.55 8.10 -1.01 0.35 115.31 123.52 2kiv h LEU 41 Ca -0.05 0.01 -0.19 0.00 0.11 0.00 0.00 57.88 57.77 2kiv h LEU 41 Cb 0.36 -0.01 -0.00 0.00 -0.44 0.00 0.00 40.66 40.57 2kiv h LEU 41 CO 0.08 0.03 -0.73 0.25 -4.11 0.00 0.00 178.44 173.96 2kiv h LEU 42 N 0.09 0.52 -0.52 0.17 5.85 -0.59 -3.15 115.31 117.68 2kiv h LEU 42 Ca 0.43 -0.34 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 2kiv h LEU 42 Cb 1.58 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 2kiv h LEU 42 CO -0.05 1.08 -0.74 -0.08 -0.34 0.00 0.00 178.44 178.31 2kiv h GLU 43 N 0.30 0.01 -0.01 1.25 4.81 0.24 -3.34 114.58 117.84 2kiv h GLU 43 Ca -0.03 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2kiv h GLU 43 Cb 1.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 2kiv h GLU 43 CO 0.13 0.75 -0.13 0.82 -0.73 0.00 0.00 179.01 179.85 2kiv h ILE 44 N 0.01 0.00 0.00 2.32 1.08 -1.03 -3.46 117.51 116.43 2kiv h ILE 44 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2kiv h ILE 44 Cb 1.31 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2kiv h ILE 44 CO 0.10 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.17 2kiv n GLY 45 N -1.11 0.00 1.75 5.37 0.00 -1.25 -4.99 105.19 104.97 2kiv n GLY 45 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 2.92 -2.13 -0.61 5.41 -1.26 -5.01 119.36 118.67 2kiv n ILE 46 Ca 0.00 -2.30 -0.37 0.00 1.00 0.00 0.00 62.75 61.08 2kiv n ILE 46 Cb 0.00 -0.40 0.01 0.00 -0.71 0.00 0.00 39.64 38.53 2kiv n ILE 46 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2kiv s LEU 47 N -3.28 3.93 -0.92 1.39 1.43 -1.26 -3.74 118.68 116.23 2kiv s LEU 47 Ca 0.51 2.41 -0.03 0.00 -1.03 0.00 0.00 54.13 55.99 2kiv s LEU 47 Cb 0.45 -4.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 2kiv s LEU 47 CO 0.06 -1.14 0.79 -3.20 0.23 0.00 0.00 176.35 173.09 2kiv n ASN 48 N -0.75 -4.12 -3.58 2.29 5.15 -1.26 -5.03 115.26 107.96 2kiv n ASN 48 Ca 0.09 -0.55 -0.07 0.00 -0.60 0.00 0.00 54.58 53.45 2kiv n ASN 48 Cb 0.48 -4.35 -0.02 0.00 -0.53 0.00 0.00 39.78 35.36 2kiv n ASN 48 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2kiv s SER 49 N -3.68 -0.31 0.00 1.20 1.04 -1.25 -5.04 113.70 105.67 2kiv s SER 49 Ca 0.21 -0.13 0.24 0.00 0.48 0.00 0.00 55.95 56.75 2kiv s SER 49 Cb -0.03 0.42 0.17 0.00 0.10 0.00 0.00 66.02 66.68 2kiv s SER 49 CO 0.60 -0.71 1.23 0.61 0.98 0.00 0.00 173.24 175.95 2kiv n GLY 50 N -0.32 0.67 0.33 7.32 0.00 -1.26 -4.30 105.19 107.62 2kiv n GLY 50 Ca -0.08 -0.66 0.19 0.00 0.00 0.00 0.00 46.02 45.46 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 3.94 0.00 0.05 1.61 6.17 -1.96 -2.77 115.15 122.19 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 0.91 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 30.79 2kiv h HIS 51 CO 0.00 0.00 -0.45 0.00 0.71 0.00 0.00 177.93 178.19 2kiv h ARG 52 N 0.00 -0.61 -0.53 5.26 3.08 -1.86 0.07 114.38 119.79 2kiv h ARG 52 Ca 0.02 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.25 2kiv h ARG 52 Cb 0.21 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 2kiv h ARG 52 CO -0.00 -0.41 0.37 0.37 -1.07 0.00 0.00 179.97 179.23 2kiv h GLN 53 N -0.63 0.11 0.58 0.04 5.75 -1.83 0.10 115.11 119.21 2kiv h GLN 53 Ca 0.03 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 2kiv h GLN 53 Cb 0.69 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 29.22 2kiv h GLN 53 CO -0.30 0.07 -0.28 -0.09 -2.65 0.00 0.00 178.83 175.59 2kiv h ARG 54 N 0.11 -0.75 -0.29 1.69 9.65 -1.13 -0.97 114.38 122.70 2kiv h ARG 54 Ca 0.25 0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.17 2kiv h ARG 54 Cb 0.85 0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.58 2kiv h ARG 54 CO -0.03 -0.44 0.11 0.82 2.80 0.00 0.00 179.97 183.23 2kiv h ILE 55 N -1.08 1.12 0.51 1.20 2.04 -0.70 0.95 117.51 121.55 2kiv h ILE 55 Ca -0.08 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 2kiv h ILE 55 Cb 0.65 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2kiv h ILE 55 CO 0.13 0.14 -0.24 -0.07 0.00 0.00 0.00 178.15 178.10 2kiv h LEU 56 N 0.40 -0.58 -1.46 1.44 3.38 -0.95 0.21 115.31 117.76 2kiv h LEU 56 Ca 0.10 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2kiv h LEU 56 Cb 0.09 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2kiv h LEU 56 CO -0.01 -0.31 0.39 -0.61 0.09 0.00 0.00 178.44 177.99 2kiv h GLN 57 N -0.89 0.70 0.49 1.13 4.15 -1.12 0.13 115.11 119.71 2kiv h GLN 57 Ca -0.07 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 2kiv h GLN 57 Cb 0.52 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.06 2kiv h GLN 57 CO 0.11 0.46 -0.23 0.00 -1.93 0.00 0.00 178.83 177.24 2kiv h ALA 58 N 1.65 -0.77 -0.07 3.38 0.00 -0.81 -0.40 119.26 122.24 2kiv h ALA 58 Ca 0.23 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2kiv h ALA 58 Cb 0.03 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kiv h ALA 58 CO -0.06 -0.72 0.08 0.97 0.00 0.00 0.00 179.25 179.52 2kiv h ILE 59 N -0.99 0.48 0.04 0.00 6.09 -0.49 0.28 117.51 122.93 2kiv h ILE 59 Ca -0.07 0.00 -0.17 0.00 -1.37 0.00 0.00 64.86 63.25 2kiv h ILE 59 Cb 0.50 0.93 0.02 0.00 0.47 0.00 0.00 36.82 38.74 2kiv h ILE 59 CO 0.11 0.00 -0.71 -0.61 -3.07 0.00 0.00 178.15 173.87 2kiv h GLN 60 N 0.00 0.41 0.00 2.19 4.15 -0.70 -3.25 115.11 117.91 2kiv h GLN 60 Ca 0.03 -0.49 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2kiv h GLN 60 Cb 0.19 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.04 2kiv h GLN 60 CO -0.00 1.16 0.00 1.25 -1.93 0.00 0.00 178.83 179.31 2kiv h LEU 61 N -0.12 0.00 0.03 -2.39 7.12 -0.21 -3.31 115.31 116.43 2kiv h LEU 61 Ca -0.10 0.00 0.02 0.00 0.13 0.00 0.00 57.88 57.93 2kiv h LEU 61 Cb 1.44 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.52 2kiv h LEU 61 CO 0.14 0.00 -0.52 -0.07 -0.13 0.00 0.00 178.44 177.86 2kiv h LEU 62 N 0.00 -1.59 -0.52 2.25 3.38 -0.51 -1.63 115.31 116.68 2kiv h LEU 62 Ca 0.00 0.17 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 2kiv h LEU 62 Cb 0.75 0.60 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2kiv h LEU 62 CO 0.00 -0.51 -0.40 1.55 0.09 0.00 0.00 178.44 179.16 2kiv h PRO 63 N -0.67 0.76 -0.95 1.13 0.13 -1.73 -3.09 132.00 127.57 2kiv h PRO 63 Ca 0.01 -0.40 0.20 0.00 -0.87 0.00 0.00 66.00 64.94 2kiv h PRO 63 Cb 0.71 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.77 2kiv h PRO 63 CO -0.33 1.02 0.61 -0.22 -0.23 0.00 0.00 178.00 178.85 2kiv h LYS 64 N 0.62 0.50 -4.78 0.86 1.63 -1.57 -3.17 116.57 110.67 2kiv h LYS 64 Ca 0.05 -0.03 -0.67 0.00 -0.85 0.00 0.00 60.65 59.15 2kiv h LYS 64 Cb 0.95 -0.11 -0.20 0.00 -0.60 0.00 0.00 32.23 32.27 2kiv h LYS 64 CO 0.09 0.33 -0.52 -1.64 -3.45 0.00 0.00 179.45 174.26 2kiv s MET 65 N -5.56 3.52 -0.71 1.90 -1.94 -0.64 -4.62 119.30 111.25 2kiv s MET 65 Ca -0.09 -0.61 -0.02 0.00 -1.71 0.00 0.00 55.69 53.26 2kiv s MET 65 Cb 0.23 -3.68 0.00 0.00 2.01 0.00 0.00 34.83 33.39 2kiv s MET 65 CO 0.79 -0.38 0.69 0.54 -0.01 0.00 0.00 175.02 176.64 2kiv n ARG 66 N 5.05 -1.43 -2.26 2.03 5.12 -1.26 -4.88 116.66 119.03 2kiv n ARG 66 Ca -0.13 1.52 -0.35 0.00 -1.93 0.00 0.00 57.85 56.95 2kiv n ARG 66 Cb 0.50 -5.56 -0.00 0.00 -1.16 0.00 0.00 32.46 26.24 2kiv n ARG 66 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2kiv s PRO 67 N -3.06 3.42 0.04 5.56 0.04 -1.20 -4.89 135.00 134.91 2kiv s PRO 67 Ca 0.03 1.64 0.07 0.00 0.04 0.00 0.00 61.00 62.78 2kiv s PRO 67 Cb -0.01 -2.07 -0.23 0.00 0.04 0.00 0.00 34.50 32.23 2kiv s PRO 67 CO 0.76 -0.80 0.98 0.97 0.04 0.00 0.00 177.00 178.95 2kiv h ILE 68 N 1.31 1.30 0.00 0.56 2.10 -1.93 -3.51 117.51 117.34 2kiv h ILE 68 Ca -0.50 -3.05 0.00 0.00 1.08 0.00 0.00 64.86 62.39 2kiv h ILE 68 Cb 1.26 2.67 0.00 0.00 -1.09 0.00 0.00 36.82 39.66 2kiv h ILE 68 CO 0.57 0.77 0.00 0.61 -1.08 0.00 0.00 178.15 179.02 2kiv n GLY 69 N 1.48 0.32 2.95 8.18 0.00 -1.26 -5.08 105.19 111.78 2kiv n GLY 69 Ca -0.09 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.65 0.29 -0.02 1.61 2.46 -1.26 -5.16 115.29 111.56 2kiv s HIS 70 Ca 0.00 -0.22 0.03 0.00 0.47 0.00 0.00 55.06 55.34 2kiv s HIS 70 Cb 0.00 -0.19 -0.00 0.00 -0.13 0.00 0.00 32.58 32.26 2kiv s HIS 70 CO 0.00 -0.06 -0.10 0.34 -2.47 0.00 0.00 174.74 172.46 2kiv s ASP 71 N -0.60 1.22 0.00 9.88 -1.08 -1.26 -5.15 116.67 119.67 2kiv s ASP 71 Ca -0.05 -0.19 0.00 0.00 -0.52 0.00 0.00 52.55 51.80 2kiv s ASP 71 Cb -0.04 -0.23 0.00 0.00 -1.46 0.00 0.00 42.92 41.19 2kiv s ASP 71 CO -0.00 0.10 0.00 0.61 0.52 0.00 0.00 175.17 176.39 2kiv n GLY 72 N 3.05 5.51 3.61 2.66 0.00 -1.26 -5.14 105.19 113.63 2kiv n GLY 72 Ca -0.16 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.09 0.07 0.07 4.61 0.00 -1.26 -5.12 121.76 118.05 2kiv s ALA 73 Ca 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 2kiv s ALA 73 Cb 0.00 1.00 -0.03 0.00 0.00 0.00 0.00 23.12 24.09 2kiv s ALA 73 CO 0.00 -0.87 0.06 -1.01 0.00 0.00 0.00 175.76 173.94 2kiv s HIS 74 N -3.09 0.42 -0.43 0.00 3.76 -1.26 -5.11 115.29 109.58 2kiv s HIS 74 Ca 0.24 -0.91 -0.28 0.00 -0.15 0.00 0.00 55.06 53.96 2kiv s HIS 74 Cb -0.02 -0.28 -0.01 0.00 1.11 0.00 0.00 32.58 33.38 2kiv s HIS 74 CO 0.15 -0.46 1.75 -1.25 -0.85 0.00 0.00 174.74 174.08 2kiv s PRO 75 N -3.91 3.15 0.29 8.40 0.04 -1.26 -4.95 135.00 136.76 2kiv s PRO 75 Ca 0.08 1.08 0.03 0.00 0.04 0.00 0.00 61.00 62.23 2kiv s PRO 75 Cb 0.07 -4.23 -0.03 0.00 0.04 0.00 0.00 34.50 30.35 2kiv s PRO 75 CO -0.09 -2.08 0.27 0.95 0.04 0.00 0.00 177.00 176.08 2kiv s THR 76 N 7.33 0.00 0.70 1.26 -4.23 -1.26 -5.11 115.64 114.32 2kiv s THR 76 Ca 0.72 -1.93 -0.11 0.00 -1.18 0.00 0.00 61.69 59.19 2kiv s THR 76 Cb -0.18 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.16 2kiv s THR 76 CO 0.29 0.00 1.07 -0.44 -0.54 0.00 0.00 174.62 175.00 2kiv s SER 77 N -3.29 5.40 0.39 3.99 0.01 -1.26 -3.84 113.70 115.10 2kiv s SER 77 Ca 0.38 1.44 0.13 0.00 1.31 0.00 0.00 55.95 59.22 2kiv s SER 77 Cb 0.03 -2.31 0.96 0.00 0.21 0.00 0.00 66.02 64.91 2kiv s SER 77 CO 0.22 -1.41 1.86 0.58 0.41 0.00 0.00 173.24 174.90 2kiv h VAL 78 N -0.70 0.75 0.51 3.43 2.07 -1.85 0.27 116.25 120.73 2kiv h VAL 78 Ca -0.45 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2kiv h VAL 78 Cb 1.22 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2kiv h VAL 78 CO 0.59 0.10 -0.24 0.00 0.02 0.00 0.00 177.57 178.04 2kiv h ALA 79 N 1.61 -0.94 0.00 1.67 0.00 -1.91 -1.08 119.26 118.61 2kiv h ALA 79 Ca 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2kiv h ALA 79 Cb 0.95 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kiv h ALA 79 CO -0.20 -0.89 0.00 1.49 0.00 0.00 0.00 179.25 179.65 2kiv h GLU 80 N -0.84 0.00 0.03 0.00 4.57 -1.85 0.26 114.58 116.75 2kiv h GLU 80 Ca -0.07 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2kiv h GLU 80 Cb 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2kiv h GLU 80 CO 0.11 0.00 -0.02 2.35 -1.18 0.00 0.00 179.01 180.28 2kiv h TRP 81 N 0.00 -0.04 0.02 0.92 7.01 -0.31 -2.83 115.95 120.72 2kiv h TRP 81 Ca 0.00 -0.00 -0.27 0.00 2.11 0.00 0.00 58.89 60.73 2kiv h TRP 81 Cb 0.07 0.01 0.02 0.00 -2.10 0.00 0.00 29.16 27.17 2kiv h TRP 81 CO 0.00 0.64 -1.07 -0.07 -2.79 0.00 0.00 178.44 175.15 2kiv h LEU 82 N -0.88 0.89 -2.16 0.65 3.38 -0.80 -3.17 115.31 113.23 2kiv h LEU 82 Ca -0.00 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.22 2kiv h LEU 82 Cb 0.70 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2kiv h LEU 82 CO 0.01 1.53 -0.06 -0.78 0.09 0.00 0.00 178.44 179.22 2kiv h ASP 83 N 0.37 0.00 -0.20 -0.43 3.58 -0.64 0.24 116.42 119.34 2kiv h ASP 83 Ca -0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2kiv h ASP 83 Cb 1.73 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.78 2kiv h ASP 83 CO 0.21 0.06 0.00 -0.24 -2.88 0.00 0.00 179.24 176.39 2kiv n SER 84 N -3.81 1.71 0.00 2.28 2.88 -1.07 -4.48 113.62 111.13 2kiv n SER 84 Ca -0.02 -1.75 0.00 0.00 -1.33 0.00 0.00 58.87 55.76 2kiv n SER 84 Cb 0.16 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 0.36 0.00 0.02 2.46 5.41 0.03 -5.06 119.36 122.59 2kiv n ILE 85 Ca 0.15 0.13 0.00 0.00 1.00 0.00 0.00 62.75 64.04 2kiv n ILE 85 Cb 0.33 -1.02 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 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 -1.94 0.00 0.00 0.38 2.13 -0.95 -5.04 120.64 115.21 2kiv n GLU 86 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2kiv n GLU 86 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2kiv n GLU 86 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2kiv n LEU 87 N -2.44 0.00 0.00 4.31 7.99 -1.25 -4.78 117.00 120.83 2kiv n LEU 87 Ca 0.00 0.51 0.00 0.00 -0.01 0.00 0.00 56.01 56.51 2kiv n LEU 87 Cb 0.00 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 2kiv n LEU 87 CO 0.00 -0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.48 2kiv n GLY 88 N -0.72 1.44 0.33 -0.72 0.00 -1.20 -4.60 105.19 99.71 2kiv n GLY 88 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 0.57 -0.71 1.61 1.82 -1.92 0.32 116.42 118.10 2kiv h ASP 89 Ca 0.00 0.12 0.21 0.00 -0.39 0.00 0.00 57.03 56.96 2kiv h ASP 89 Cb 0.00 0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.01 2kiv h ASP 89 CO 0.00 0.16 0.60 1.88 -1.61 0.00 0.00 179.24 180.27 2kiv h TYR 90 N 0.60 0.00 -1.10 0.28 0.05 -1.99 -0.90 116.97 113.91 2kiv h TYR 90 Ca 0.55 0.00 0.34 0.00 0.05 0.00 0.00 58.73 59.67 2kiv h TYR 90 Cb 0.91 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.52 2kiv h TYR 90 CO -0.07 0.00 0.67 1.15 -1.05 0.00 0.00 178.16 178.86 2kiv h THR 91 N 0.00 0.29 0.85 -2.88 2.02 -0.68 0.14 112.91 112.64 2kiv h THR 91 Ca 0.34 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.39 2kiv h THR 91 Cb 1.53 -0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.95 2kiv h THR 91 CO -0.00 0.05 -0.41 0.50 0.37 0.00 0.00 175.52 176.03 2kiv h LYS 92 N 0.27 -1.10 -0.74 6.66 3.64 -1.34 -0.63 116.57 123.33 2kiv h LYS 92 Ca 0.73 0.07 0.08 0.00 -1.27 0.00 0.00 60.65 60.27 2kiv h LYS 92 Cb 1.90 0.25 -0.07 0.00 -0.41 0.00 0.00 32.23 33.91 2kiv h LYS 92 CO -0.50 -0.73 0.41 0.00 -2.27 0.00 0.00 179.45 176.36 2kiv h ALA 93 N -1.25 1.02 0.29 5.00 0.00 -1.27 -1.33 119.26 121.72 2kiv h ALA 93 Ca -0.12 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2kiv h ALA 93 Cb 0.88 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2kiv h ALA 93 CO 0.19 0.05 -0.21 0.74 0.00 0.00 0.00 179.25 180.03 2kiv h PHE 94 N 0.71 -0.54 0.25 0.00 -1.00 -0.76 0.23 116.94 115.83 2kiv h PHE 94 Ca 0.35 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.13 2kiv h PHE 94 Cb 0.29 0.20 -0.03 0.00 3.61 0.00 0.00 35.95 40.01 2kiv h PHE 94 CO -0.08 -0.32 -0.39 -0.07 -1.61 0.00 0.00 178.31 175.84 2kiv h LEU 95 N -0.49 -1.12 -2.21 1.54 3.38 -0.72 0.15 115.31 115.84 2kiv h LEU 95 Ca -0.02 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2kiv h LEU 95 Cb 0.42 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2kiv h LEU 95 CO 0.01 -0.50 0.06 0.16 0.09 0.00 0.00 178.44 178.25 2kiv h ILE 96 N -0.71 0.73 0.00 1.22 3.07 -1.19 0.10 117.51 120.72 2kiv h ILE 96 Ca -0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2kiv h ILE 96 Cb 0.69 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 38.19 2kiv h ILE 96 CO -0.15 0.00 0.00 0.78 -1.05 0.00 0.00 178.15 177.73 2kiv h ASN 97 N 0.00 0.00 0.00 2.16 2.35 0.75 -3.46 115.58 117.38 2kiv h ASN 97 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2kiv h ASN 97 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2kiv h ASN 97 CO -0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 2kiv n GLY 98 N 0.45 1.37 3.43 2.83 0.00 0.35 -5.06 105.19 108.56 2kiv n GLY 98 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 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 2.82 -0.01 1.61 2.02 0.40 -4.76 117.35 117.43 2kiv s TYR 99 Ca 0.00 -0.77 0.06 0.00 -0.37 0.00 0.00 57.07 55.99 2kiv s TYR 99 Cb 0.00 -4.22 -0.09 0.00 -0.40 0.00 0.00 41.96 37.25 2kiv s TYR 99 CO 0.00 -1.54 0.13 0.25 -1.57 0.00 0.00 175.55 172.82 2kiv n THR 100 N 5.76 0.03 -4.51 -0.71 -2.24 -1.26 -3.90 114.28 107.44 2kiv n THR 100 Ca -0.02 -0.15 -0.26 0.00 -2.27 0.00 0.00 64.05 61.35 2kiv n THR 100 Cb 0.45 0.28 -0.17 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.77 2.10 0.46 3.42 0.01 -1.26 -4.49 113.70 111.17 2kiv s SER 101 Ca -0.02 -0.35 0.19 0.00 1.31 0.00 0.00 55.95 57.07 2kiv s SER 101 Cb 0.04 -0.94 1.16 0.00 0.21 0.00 0.00 66.02 66.49 2kiv s SER 101 CO 0.25 0.02 1.94 -0.03 0.41 0.00 0.00 173.24 175.83 2kiv h MET 102 N 7.22 0.28 -0.74 12.44 4.05 -1.90 -1.21 114.93 135.07 2kiv h MET 102 Ca -0.30 -0.02 0.14 0.00 -0.28 0.00 0.00 59.70 59.24 2kiv h MET 102 Cb 1.18 -0.06 -0.10 0.00 -0.80 0.00 0.00 31.60 31.82 2kiv h MET 102 CO 0.47 0.18 0.27 -0.44 0.23 0.00 0.00 176.91 177.62 2kiv h ASP 103 N 0.28 0.22 -0.59 1.39 3.32 -1.95 0.20 116.42 119.30 2kiv h ASP 103 Ca 0.34 0.11 0.14 0.00 0.02 0.00 0.00 57.03 57.64 2kiv h ASP 103 Cb 0.92 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 2kiv h ASP 103 CO -0.08 0.08 0.41 -0.07 -1.72 0.00 0.00 179.24 177.86 2kiv h LEU 104 N 0.41 0.15 -2.60 1.55 3.38 -1.65 0.26 115.31 116.81 2kiv h LEU 104 Ca 0.40 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2kiv h LEU 104 Cb 0.62 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2kiv h LEU 104 CO -0.41 0.08 0.00 -0.07 0.09 0.00 0.00 178.44 178.13 2kiv h LEU 105 N 0.16 0.00 -0.98 1.67 3.38 -0.68 -0.49 115.31 118.37 2kiv h LEU 105 Ca 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 2kiv h LEU 105 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2kiv h LEU 105 CO -0.04 0.00 -0.13 0.07 0.09 0.00 0.00 178.44 178.42 2kiv h LYS 106 N 0.00 0.00 -0.51 1.13 5.09 -0.52 -2.79 116.57 118.97 2kiv h LYS 106 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2kiv h LYS 106 Cb 0.10 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.43 2kiv h LYS 106 CO 0.00 0.13 0.00 1.17 -2.09 0.00 0.00 179.45 178.66 2kiv n LYS 107 N -3.23 4.04 -3.67 0.07 4.81 -0.20 -4.94 118.16 115.05 2kiv n LYS 107 Ca 0.01 -2.97 -0.36 0.00 -0.87 0.00 0.00 58.31 54.13 2kiv n LYS 107 Cb 0.42 -2.02 -0.08 0.00 0.02 0.00 0.00 35.03 33.37 2kiv n LYS 107 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2kiv s ILE 108 N -2.44 5.37 0.45 3.15 -1.09 -1.05 -5.09 121.20 120.50 2kiv s ILE 108 Ca 0.49 0.27 0.08 0.00 -2.23 0.00 0.00 60.65 59.26 2kiv s ILE 108 Cb 0.36 -3.51 0.01 0.00 -1.58 0.00 0.00 42.46 37.74 2kiv s ILE 108 CO 0.17 0.40 0.53 0.00 -1.23 0.00 0.00 174.94 174.81 2kiv s ALA 109 N 0.59 4.40 0.05 9.38 0.00 -1.26 -4.95 121.76 129.96 2kiv s ALA 109 Ca 0.10 -1.79 -0.20 0.00 0.00 0.00 0.00 51.96 50.06 2kiv s ALA 109 Cb -0.12 -1.33 -0.10 0.00 0.00 0.00 0.00 23.12 21.57 2kiv s ALA 109 CO 0.01 -0.37 1.32 1.49 0.00 0.00 0.00 175.76 178.21 2kiv h GLU 110 N 0.70 -0.54 -0.72 0.00 4.81 -1.99 0.46 114.58 117.31 2kiv h GLU 110 Ca -0.39 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.03 2kiv h GLU 110 Cb 1.28 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 30.68 2kiv h GLU 110 CO 0.49 -0.36 0.17 -0.24 -0.73 0.00 0.00 179.01 178.34 2kiv h VAL 111 N -0.56 0.54 -0.72 0.32 3.04 -1.98 0.21 116.25 117.10 2kiv h VAL 111 Ca -0.03 -0.09 0.04 0.00 -1.01 0.00 0.00 66.70 65.60 2kiv h VAL 111 Cb 0.49 0.24 -0.04 0.00 -2.01 0.00 0.00 31.29 29.97 2kiv h VAL 111 CO -0.05 0.05 0.47 -0.33 -1.01 0.00 0.00 177.57 176.70 2kiv h GLU 112 N 0.27 0.83 -0.32 4.17 4.39 -1.89 0.24 114.58 122.27 2kiv h GLU 112 Ca 0.40 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.88 2kiv h GLU 112 Cb 0.67 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2kiv h GLU 112 CO -0.49 0.55 -0.48 1.25 -1.16 0.00 0.00 179.01 178.68 2kiv h LEU 113 N 0.85 0.95 -0.53 1.33 6.46 0.16 0.15 115.31 124.69 2kiv h LEU 113 Ca 0.29 -0.48 -0.01 0.00 -0.12 0.00 0.00 57.88 57.56 2kiv h LEU 113 Cb 0.08 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.74 2kiv h LEU 113 CO -0.08 1.27 -0.05 0.40 -0.62 0.00 0.00 178.44 179.36 2kiv h ILE 114 N 0.69 0.09 0.00 4.05 2.04 -0.38 0.38 117.51 124.39 2kiv h ILE 114 Ca 0.03 -0.94 -0.23 0.00 1.00 0.00 0.00 64.86 64.73 2kiv h ILE 114 Cb 1.07 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 2kiv h ILE 114 CO 0.11 0.05 -1.67 -3.20 0.00 0.00 0.00 178.15 173.43 2kiv n ASN 115 N -3.12 0.71 -0.09 1.72 5.15 0.77 -2.97 115.26 117.42 2kiv n ASN 115 Ca 0.03 0.32 -0.11 0.00 -0.60 0.00 0.00 54.58 54.22 2kiv n ASN 115 Cb 0.47 0.28 -0.04 0.00 -0.53 0.00 0.00 39.78 39.95 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 -2.90 1.48 0.08 3.44 0.31 0.52 -4.69 118.33 116.57 2kiv n VAL 116 Ca -0.15 0.10 -0.22 0.00 -0.01 0.00 0.00 64.34 64.06 2kiv n VAL 116 Cb 0.95 -2.30 -0.15 0.00 -0.91 0.00 0.00 33.84 31.43 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 -1.00 0.61 -1.48 7.52 -0.00 -0.62 -3.49 115.31 116.86 2kiv h LEU 117 Ca -0.10 -0.85 -0.27 0.00 -0.00 0.00 0.00 57.88 56.66 2kiv h LEU 117 Cb 0.94 -0.20 0.13 0.00 -0.00 0.00 0.00 40.66 41.53 2kiv h LEU 117 CO -0.06 1.71 -0.58 0.29 -0.00 0.00 0.00 178.44 179.80 2kiv n LYS 118 N -3.58 -5.49 0.24 1.13 5.02 0.90 -4.97 118.16 111.42 2kiv n LYS 118 Ca -0.22 0.66 -0.10 0.00 -2.02 0.00 0.00 58.31 56.63 2kiv n LYS 118 Cb 1.08 -5.13 -0.05 0.00 -0.02 0.00 0.00 35.03 30.90 2kiv n LYS 118 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2kiv h ILE 119 N -1.67 0.00 -6.37 -0.18 2.04 -1.82 -3.47 117.51 106.04 2kiv h ILE 119 Ca -0.46 -0.26 -0.48 0.00 1.00 0.00 0.00 64.86 64.67 2kiv h ILE 119 Cb 1.27 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2kiv h ILE 119 CO 0.40 0.00 -0.86 -3.20 0.00 0.00 0.00 178.15 174.49 2kiv n ASN 120 N -4.48 -0.79 -3.72 1.72 5.15 -1.26 -4.97 115.26 106.90 2kiv n ASN 120 Ca -0.08 -0.94 -0.13 0.00 -0.60 0.00 0.00 54.58 52.82 2kiv n ASN 120 Cb 0.26 -3.38 -0.14 0.00 -0.53 0.00 0.00 39.78 35.99 2kiv n ASN 120 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2kiv s LEU 121 N -6.89 0.33 0.05 1.20 2.96 -1.26 -5.07 118.68 109.99 2kiv s LEU 121 Ca 0.05 0.46 -0.19 0.00 -0.22 0.00 0.00 54.13 54.23 2kiv s LEU 121 Cb -0.02 0.59 -0.09 0.00 0.50 0.00 0.00 46.19 47.17 2kiv s LEU 121 CO 0.86 -0.18 1.30 0.40 -1.32 0.00 0.00 176.35 177.41 2kiv h ILE 122 N 6.04 0.00 -0.18 6.68 1.08 -1.88 0.34 117.51 129.59 2kiv h ILE 122 Ca -0.34 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.15 2kiv h ILE 122 Cb 1.14 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.86 2kiv h ILE 122 CO 0.33 0.00 -0.20 1.23 -0.69 0.00 0.00 178.15 178.82 2kiv h GLY 123 N -0.47 -1.68 -0.01 5.37 0.00 -0.69 0.28 103.07 105.86 2kiv h GLY 123 Ca -0.02 0.83 0.14 0.00 0.00 0.00 0.00 47.33 48.28 2kiv h GLY 123 CO -0.10 -0.54 0.10 0.45 0.00 0.00 0.00 176.54 176.45 2kiv h HIS 124 N -0.12 0.14 0.33 5.60 3.86 -1.77 0.68 115.15 123.87 2kiv h HIS 124 Ca 0.03 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2kiv h HIS 124 Cb 0.20 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 2kiv h HIS 124 CO -0.69 -0.10 -0.32 -0.09 0.86 0.00 0.00 177.93 177.59 2kiv h ARG 125 N 0.21 -0.62 -0.88 2.45 2.43 0.78 -0.84 114.38 117.91 2kiv h ARG 125 Ca 0.36 0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.75 2kiv h ARG 125 Cb 0.59 0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 30.17 2kiv h ARG 125 CO -0.49 -0.41 0.44 -0.22 -1.51 0.00 0.00 179.97 177.77 2kiv h LYS 126 N -0.64 0.54 0.42 0.20 1.63 -0.10 0.30 116.57 118.92 2kiv h LYS 126 Ca -0.04 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 2kiv h LYS 126 Cb 0.55 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 2kiv h LYS 126 CO -0.03 0.36 -0.42 -0.09 -3.45 0.00 0.00 179.45 175.81 2kiv h ARG 127 N 0.55 -0.82 0.36 1.90 9.65 -0.49 0.14 114.38 125.68 2kiv h ARG 127 Ca 0.51 0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 59.43 2kiv h ARG 127 Cb 0.83 0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 2kiv h ARG 127 CO -0.43 -0.55 -0.17 0.82 2.80 0.00 0.00 179.97 182.44 2kiv h ILE 128 N -0.85 0.65 -0.96 1.20 2.04 -0.40 -1.02 117.51 118.18 2kiv h ILE 128 Ca -0.04 -0.30 0.26 0.00 1.00 0.00 0.00 64.86 65.78 2kiv h ILE 128 Cb 0.76 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 2kiv h ILE 128 CO -0.06 0.06 0.67 0.25 0.00 0.00 0.00 178.15 179.06 2kiv h LEU 129 N -0.65 0.15 0.01 1.44 5.85 -0.39 0.19 115.31 121.89 2kiv h LEU 129 Ca -0.05 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 2kiv h LEU 129 Cb 0.47 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.50 2kiv h LEU 129 CO 0.08 0.05 -0.28 0.00 -0.34 0.00 0.00 178.44 177.94 2kiv h ALA 130 N 1.55 0.02 0.00 1.25 0.00 -0.38 0.30 119.26 122.00 2kiv h ALA 130 Ca 0.48 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2kiv h ALA 130 Cb 1.65 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 2kiv h ALA 130 CO -0.08 0.11 -0.13 1.03 0.00 0.00 0.00 179.25 180.18 2kiv h SER 131 N -0.52 0.00 0.08 0.00 0.87 0.26 -2.98 113.55 111.27 2kiv h SER 131 Ca -0.04 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.26 2kiv h SER 131 Cb 1.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2kiv h SER 131 CO 0.06 0.13 -1.37 -0.07 -0.53 0.00 0.00 176.83 175.05 2kiv h LEU 132 N 0.00 0.27 0.00 2.23 3.38 -0.75 -3.48 115.31 116.96 2kiv h LEU 132 Ca -0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.18 2kiv h LEU 132 Cb 0.29 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2kiv h LEU 132 CO 0.02 1.58 0.00 0.61 0.09 0.00 0.00 178.44 180.74 2kiv n GLY 133 N 1.69 -0.47 0.01 0.83 0.00 0.09 -4.94 105.19 102.40 2kiv n GLY 133 Ca -0.27 -1.68 -0.01 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.24 4.45 0.00 1.61 2.03 -1.26 -4.95 116.55 117.18 2kiv n ASP 134 Ca 0.00 -0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 2kiv n ASP 134 Cb 0.00 0.47 0.21 0.00 -0.72 0.00 0.00 41.12 41.08 2kiv n ASP 134 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17