#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 0.52 0.03 1.45 2.00 -1.26 -5.07 119.66 117.33 2kiv s GLN 2 Ca 0.00 0.24 0.02 0.00 -2.00 0.00 0.00 55.36 53.62 2kiv s GLN 2 Cb 0.00 -1.77 -0.02 0.00 0.80 0.00 0.00 33.01 32.02 2kiv s GLN 2 CO 0.00 -2.61 -0.07 0.99 -0.50 0.00 0.00 175.29 173.11 2kiv s THR 3 N -3.20 0.47 0.15 -0.34 2.01 -1.26 -4.41 115.64 109.05 2kiv s THR 3 Ca 0.66 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 61.65 2kiv s THR 3 Cb -0.14 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.85 2kiv s THR 3 CO 0.55 -0.26 1.79 0.58 -0.69 0.00 0.00 174.62 176.58 2kiv h VAL 4 N 4.64 1.03 0.08 3.82 2.07 -1.92 0.92 116.25 126.90 2kiv h VAL 4 Ca -0.33 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.07 2kiv h VAL 4 Cb 1.20 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2kiv h VAL 4 CO 0.43 0.07 -0.16 1.23 0.02 0.00 0.00 177.57 179.17 2kiv h GLY 5 N 0.39 -0.27 0.87 2.17 0.00 -1.96 0.38 103.07 104.65 2kiv h GLY 5 Ca 0.13 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 2kiv h GLY 5 CO -0.06 -0.15 -0.20 -1.61 0.00 0.00 0.00 176.54 174.52 2kiv h GLN 6 N -0.30 -0.53 0.49 4.80 4.15 -1.95 0.00 115.11 121.78 2kiv h GLN 6 Ca 0.03 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 2kiv h GLN 6 Cb 0.33 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 2kiv h GLN 6 CO -0.10 -0.28 -0.45 2.35 -1.93 0.00 0.00 178.83 178.42 2kiv h TRP 7 N -0.69 -1.25 -0.93 3.99 7.01 -0.76 0.83 115.95 124.16 2kiv h TRP 7 Ca -0.06 0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.13 2kiv h TRP 7 Cb 0.50 0.48 -0.10 0.00 -2.10 0.00 0.00 29.16 27.93 2kiv h TRP 7 CO -0.02 -0.61 0.52 1.25 -2.79 0.00 0.00 178.44 176.79 2kiv h LEU 8 N -0.93 0.63 -1.19 0.65 5.85 -0.30 0.26 115.31 120.28 2kiv h LEU 8 Ca -0.06 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2kiv h LEU 8 Cb 0.80 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2kiv h LEU 8 CO -0.03 0.22 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.12 2kiv h GLU 9 N 0.67 0.45 0.08 1.25 4.81 -0.52 0.29 114.58 121.61 2kiv h GLU 9 Ca 0.53 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.64 2kiv h GLU 9 Cb 0.82 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2kiv h GLU 9 CO -0.39 0.55 -0.04 1.03 -0.73 0.00 0.00 179.01 179.43 2kiv h SER 10 N 0.43 -0.10 0.61 1.04 0.87 0.19 -3.25 113.55 113.34 2kiv h SER 10 Ca 0.08 -0.50 -0.04 0.00 -1.23 0.00 0.00 61.79 60.10 2kiv h SER 10 Cb 0.42 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2kiv h SER 10 CO 0.02 0.52 -0.19 0.16 -0.53 0.00 0.00 176.83 176.81 2kiv h ILE 11 N -0.78 0.62 0.00 2.23 3.07 -0.88 -3.46 117.51 118.31 2kiv h ILE 11 Ca -0.01 -0.87 0.00 0.00 1.55 0.00 0.00 64.86 65.53 2kiv h ILE 11 Cb 0.59 1.56 0.00 0.00 -0.27 0.00 0.00 36.82 38.70 2kiv h ILE 11 CO 0.02 0.19 0.00 0.61 -1.05 0.00 0.00 178.15 177.92 2kiv n GLY 12 N -0.29 2.03 3.30 0.16 0.00 0.10 -4.91 105.19 105.59 2kiv n GLY 12 Ca -0.01 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 0.65 -0.93 0.99 1.02 -1.09 -4.61 118.68 114.71 2kiv s LEU 13 Ca 0.00 -0.43 -0.24 0.00 0.02 0.00 0.00 54.13 53.48 2kiv s LEU 13 Cb 0.00 1.64 -0.05 0.00 0.02 0.00 0.00 46.19 47.80 2kiv s LEU 13 CO 0.00 -0.83 1.95 -2.16 0.02 0.00 0.00 176.35 175.32 2kiv s PRO 14 N -3.83 2.55 0.00 1.29 0.04 -1.26 -4.28 135.00 129.51 2kiv s PRO 14 Ca 0.04 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 60.72 2kiv s PRO 14 Cb 0.03 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.49 2kiv s PRO 14 CO -0.11 -3.43 0.00 1.04 0.04 0.00 0.00 177.00 174.54 2kiv n GLN 15 N 8.81 0.00 -0.31 4.56 6.02 -1.26 -4.84 117.38 130.35 2kiv n GLN 15 Ca 0.41 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.47 2kiv n GLN 15 Cb 0.47 -0.33 0.22 0.00 1.02 0.00 0.00 30.24 31.62 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 -1.74 0.79 -0.11 1.08 4.02 -1.26 -4.29 117.16 115.65 2kiv n TYR 16 Ca 0.00 -0.35 -0.09 0.00 -0.01 0.00 0.00 57.90 57.44 2kiv n TYR 16 Cb 0.00 -0.07 -0.01 0.00 -0.02 0.00 0.00 39.34 39.23 2kiv n TYR 16 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2kiv h GLU 17 N 2.78 0.51 0.00 -0.72 4.81 -1.88 -1.14 114.58 118.94 2kiv h GLU 17 Ca 0.00 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2kiv h GLU 17 Cb 0.81 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2kiv h GLU 17 CO 0.06 0.47 -0.04 -0.97 -0.73 0.00 0.00 179.01 177.81 2kiv h ASN 18 N 0.42 -0.10 0.42 1.04 -0.73 -1.98 -0.81 115.58 113.84 2kiv h ASN 18 Ca 0.12 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.30 2kiv h ASN 18 Cb 0.14 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 2kiv h ASN 18 CO -0.01 -0.06 -0.31 0.45 -0.37 0.00 0.00 177.43 177.13 2kiv h HIS 19 N -0.07 -0.83 0.08 0.67 3.86 -1.81 0.26 115.15 117.31 2kiv h HIS 19 Ca 0.02 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2kiv h HIS 19 Cb 0.09 0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 2kiv h HIS 19 CO -0.11 -0.46 -0.36 -0.07 0.86 0.00 0.00 177.93 177.78 2kiv h LEU 20 N -0.73 -1.10 -0.43 2.43 4.07 -1.12 0.31 115.31 118.75 2kiv h LEU 20 Ca -0.04 0.11 0.08 0.00 0.08 0.00 0.00 57.88 58.12 2kiv h LEU 20 Cb 0.62 0.40 -0.08 0.00 1.08 0.00 0.00 40.66 42.69 2kiv h LEU 20 CO 0.01 -0.38 -0.08 -0.03 -1.08 0.00 0.00 178.44 176.88 2kiv h MET 21 N -0.52 0.03 -0.04 1.13 4.05 -0.95 0.39 114.93 119.01 2kiv h MET 21 Ca -0.00 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 2kiv h MET 21 Cb 0.52 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.31 2kiv h MET 21 CO -0.20 0.02 0.05 0.00 0.23 0.00 0.00 176.91 177.01 2kiv h ALA 22 N 1.41 1.64 -0.38 0.39 0.00 -0.05 0.72 119.26 122.99 2kiv h ALA 22 Ca 0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2kiv h ALA 22 Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kiv h ALA 22 CO -0.42 -0.07 0.00 0.09 0.00 0.00 0.00 179.25 178.86 2kiv n ASN 23 N -3.91 4.15 0.00 0.00 3.02 0.11 -4.86 115.26 113.77 2kiv n ASN 23 Ca -0.02 -2.62 0.00 0.00 -0.03 0.00 0.00 54.58 51.91 2kiv n ASN 23 Cb 0.14 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 2kiv n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kiv n GLY 24 N 0.41 2.56 2.17 7.41 0.00 0.25 -1.28 105.19 116.70 2kiv n GLY 24 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 1.10 0.10 1.61 3.72 0.10 -4.22 117.46 117.87 2kiv n PHE 25 Ca 0.00 -2.17 -0.01 0.00 -0.05 0.00 0.00 57.45 55.22 2kiv n PHE 25 Cb 0.00 -1.93 -0.03 0.00 -0.94 0.00 0.00 39.48 36.58 2kiv n PHE 25 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 2kiv h ASP 26 N 3.80 0.00 -3.56 4.37 2.03 -1.72 -2.94 116.42 118.40 2kiv h ASP 26 Ca 0.48 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 56.16 2kiv h ASP 26 Cb 0.96 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 39.09 2kiv h ASP 26 CO 0.90 0.65 -0.80 0.20 -1.03 0.00 0.00 179.24 179.16 2kiv s ASN 27 N -6.40 3.69 0.47 4.15 0.01 -1.26 -4.49 114.94 111.12 2kiv s ASN 27 Ca 0.02 -1.06 0.24 0.00 -0.71 0.00 0.00 52.86 51.35 2kiv s ASN 27 Cb 0.08 -1.24 1.27 0.00 0.41 0.00 0.00 41.25 41.78 2kiv s ASN 27 CO 0.78 -0.19 1.87 1.62 -1.51 0.00 0.00 177.10 179.67 2kiv h VAL 28 N 6.55 0.61 -0.13 1.60 3.04 -1.84 0.34 116.25 126.43 2kiv h VAL 28 Ca -0.23 -0.07 0.04 0.00 -1.01 0.00 0.00 66.70 65.43 2kiv h VAL 28 Cb 1.08 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.74 2kiv h VAL 28 CO 0.45 0.04 0.23 -0.61 -1.01 0.00 0.00 177.57 176.66 2kiv h GLN 29 N 0.21 0.00 -0.93 4.17 4.15 -1.95 -1.29 115.11 119.48 2kiv h GLN 29 Ca 0.45 0.00 0.27 0.00 0.77 0.00 0.00 58.65 60.14 2kiv h GLN 29 Cb 1.43 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.08 2kiv h GLN 29 CO -0.11 0.00 0.67 0.00 -1.93 0.00 0.00 178.83 177.46 2kiv h ALA 30 N 1.67 2.88 -0.65 3.38 0.00 -0.72 0.25 119.26 126.06 2kiv h ALA 30 Ca 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2kiv h ALA 30 Cb 0.52 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2kiv h ALA 30 CO -0.00 -1.14 0.15 0.52 0.00 0.00 0.00 179.25 178.78 2kiv h MET 31 N 0.00 1.03 0.00 0.00 2.86 -1.44 -3.40 114.93 113.99 2kiv h MET 31 Ca 0.44 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2kiv h MET 31 Cb 1.77 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.29 2kiv h MET 31 CO -0.00 0.92 0.00 0.41 1.06 0.00 0.00 176.91 179.29 2kiv n GLY 32 N -0.73 3.22 0.17 8.32 0.00 0.89 -0.83 105.19 116.22 2kiv n GLY 32 Ca 0.05 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 2kiv n GLY 32 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kiv h SER 33 N 0.00 0.43 -3.27 1.61 4.64 -1.89 -3.45 113.55 111.61 2kiv h SER 33 Ca 0.00 -0.28 -0.40 0.00 -0.47 0.00 0.00 61.79 60.64 2kiv h SER 33 Cb 0.00 -0.13 0.20 0.00 -0.31 0.00 0.00 62.40 62.17 2kiv h SER 33 CO 0.00 1.02 0.00 0.20 -0.87 0.00 0.00 176.83 177.18 2kiv s ASN 34 N -6.96 -0.02 -0.09 4.97 -0.87 -0.01 -5.07 114.94 106.89 2kiv s ASN 34 Ca -0.05 0.81 -0.04 0.00 -1.57 0.00 0.00 52.86 52.01 2kiv s ASN 34 Cb 0.11 -1.16 0.05 0.00 -0.02 0.00 0.00 41.25 40.22 2kiv s ASN 34 CO 0.83 -4.72 0.21 -0.69 -2.57 0.00 0.00 177.10 170.16 2kiv s VAL 35 N -2.61 -0.08 -0.01 1.60 1.01 -1.26 -4.86 120.40 114.18 2kiv s VAL 35 Ca 0.70 0.18 -0.34 0.00 0.00 0.00 0.00 61.98 62.51 2kiv s VAL 35 Cb -0.13 -0.33 -0.13 0.00 0.00 0.00 0.00 36.38 35.79 2kiv s VAL 35 CO 0.58 0.07 1.77 0.80 0.00 0.00 0.00 175.10 178.32 2kiv n MET 36 N 4.37 2.10 -3.19 2.72 1.56 -1.26 -4.97 117.12 118.45 2kiv n MET 36 Ca -0.23 0.77 -0.18 0.00 -0.27 0.00 0.00 57.70 57.78 2kiv n MET 36 Cb 0.52 -2.58 -0.01 0.00 2.15 0.00 0.00 33.22 33.30 2kiv n MET 36 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2kiv n GLU 37 N 5.47 1.00 -0.09 2.12 -0.58 -1.26 -4.79 120.64 122.50 2kiv n GLU 37 Ca 0.21 -2.31 0.00 0.00 -0.42 0.00 0.00 57.16 54.64 2kiv n GLU 37 Cb 0.28 0.33 0.28 0.00 -0.57 0.00 0.00 31.44 31.76 2kiv n GLU 37 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2kiv h ASP 38 N 0.51 0.67 0.20 1.62 3.04 -1.98 -0.85 116.42 119.63 2kiv h ASP 38 Ca -0.24 -0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.48 2kiv h ASP 38 Cb 0.84 -0.17 -0.03 0.00 -1.04 0.00 0.00 39.33 38.93 2kiv h ASP 38 CO 0.38 0.58 -0.42 -0.61 -2.04 0.00 0.00 179.24 177.14 2kiv h GLN 39 N 0.74 -0.65 -0.60 4.15 4.15 -1.99 -0.41 115.11 120.50 2kiv h GLN 39 Ca 0.18 0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.58 2kiv h GLN 39 Cb 0.11 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2kiv h GLN 39 CO -0.02 -0.43 0.12 -0.44 -1.93 0.00 0.00 178.83 176.12 2kiv h ASP 40 N -0.67 0.94 -0.82 -0.69 3.32 -1.95 0.14 116.42 116.70 2kiv h ASP 40 Ca -0.02 -0.25 0.18 0.00 0.02 0.00 0.00 57.03 56.95 2kiv h ASP 40 Cb 0.64 -0.25 -0.11 0.00 0.22 0.00 0.00 39.33 39.83 2kiv h ASP 40 CO -0.17 0.95 0.32 0.25 -1.72 0.00 0.00 179.24 178.88 2kiv h LEU 41 N 0.89 0.27 0.00 1.55 5.85 -0.86 0.47 115.31 123.48 2kiv h LEU 41 Ca 0.19 0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.91 2kiv h LEU 41 Cb 0.40 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2kiv h LEU 41 CO 0.01 0.05 -1.09 0.25 -0.34 0.00 0.00 178.44 177.32 2kiv h LEU 42 N 0.41 0.00 -1.27 2.25 7.12 -0.88 -3.31 115.31 119.63 2kiv h LEU 42 Ca 0.48 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 58.42 2kiv h LEU 42 Cb 0.81 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.93 2kiv h LEU 42 CO -0.47 0.46 -0.15 -0.08 -0.13 0.00 0.00 178.44 178.07 2kiv h GLU 43 N 0.00 0.31 0.00 1.25 4.81 0.13 -3.32 114.58 117.76 2kiv h GLU 43 Ca -0.10 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2kiv h GLU 43 Cb 1.43 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.77 2kiv h GLU 43 CO 0.04 0.47 0.00 -0.89 -0.73 0.00 0.00 179.01 177.90 2kiv n ILE 44 N -4.23 0.00 0.00 2.32 5.41 -0.09 -4.98 119.36 117.79 2kiv n ILE 44 Ca -0.00 0.88 0.00 0.00 1.00 0.00 0.00 62.75 64.63 2kiv n ILE 44 Cb 0.30 -1.70 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 0.37 0.00 3.88 7.39 0.00 -1.25 -5.07 105.19 110.51 2kiv n GLY 45 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 5.30 0.61 -0.61 1.01 -1.25 -5.11 121.20 121.15 2kiv s ILE 46 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 60.65 60.54 2kiv s ILE 46 Cb 0.00 -3.45 0.09 0.00 0.01 0.00 0.00 42.46 39.11 2kiv s ILE 46 CO 0.00 0.36 0.84 -0.76 0.00 0.00 0.00 174.94 175.38 2kiv s LEU 47 N -1.80 3.12 -0.33 2.97 2.01 -1.26 -4.79 118.68 118.60 2kiv s LEU 47 Ca 0.25 -0.60 0.05 0.00 0.01 0.00 0.00 54.13 53.83 2kiv s LEU 47 Cb -0.12 -1.90 0.55 0.00 0.01 0.00 0.00 46.19 44.72 2kiv s LEU 47 CO 0.16 -1.46 1.68 -0.46 1.01 0.00 0.00 176.35 177.29 2kiv n ASN 48 N -2.41 3.80 -0.11 2.29 0.23 -1.26 -4.12 115.26 113.68 2kiv n ASN 48 Ca 0.14 -3.18 0.04 0.00 -0.53 0.00 0.00 54.58 51.05 2kiv n ASN 48 Cb 0.61 -0.75 0.36 0.00 -2.08 0.00 0.00 39.78 37.92 2kiv n ASN 48 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2kiv h SER 49 N 1.22 0.63 0.00 0.53 0.87 -2.03 -3.45 113.55 111.32 2kiv h SER 49 Ca 0.41 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 2kiv h SER 49 Cb 2.34 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 64.15 2kiv h SER 49 CO 0.79 0.45 0.00 0.61 -0.53 0.00 0.00 176.83 178.15 2kiv n GLY 50 N -1.45 0.24 0.26 5.77 0.00 -1.26 -4.98 105.19 103.77 2kiv n GLY 50 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2kiv n GLY 50 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2kiv h HIS 51 N 0.00 0.00 0.05 1.61 6.17 -1.87 -3.18 115.15 117.93 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 0.00 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 29.88 2kiv h HIS 51 CO 0.00 0.12 -0.50 -0.09 0.71 0.00 0.00 177.93 178.17 2kiv h ARG 52 N 0.00 -0.66 -0.09 5.26 2.43 -1.90 -0.52 114.38 118.90 2kiv h ARG 52 Ca -0.00 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2kiv h ARG 52 Cb 0.43 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2kiv h ARG 52 CO 0.02 -0.44 -0.01 0.37 -1.51 0.00 0.00 179.97 178.40 2kiv h GLN 53 N -0.68 0.12 0.56 0.20 4.15 -1.93 -0.79 115.11 116.74 2kiv h GLN 53 Ca 0.02 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 2kiv h GLN 53 Cb 0.72 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.39 2kiv h GLN 53 CO -0.32 0.15 -0.27 0.00 -1.93 0.00 0.00 178.83 176.46 2kiv h ARG 54 N 0.12 -0.73 -0.76 1.69 3.08 -1.19 0.19 114.38 116.78 2kiv h ARG 54 Ca 0.03 0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2kiv h ARG 54 Cb 0.11 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 2kiv h ARG 54 CO 0.00 -0.48 0.44 0.82 -1.07 0.00 0.00 179.97 179.68 2kiv h ILE 55 N -0.76 1.22 0.30 2.04 2.04 -1.11 0.43 117.51 121.67 2kiv h ILE 55 Ca -0.08 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 2kiv h ILE 55 Cb 0.58 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2kiv h ILE 55 CO 0.13 0.23 -0.14 -0.07 0.00 0.00 0.00 178.15 178.30 2kiv h LEU 56 N 1.05 -0.34 -1.02 1.44 3.38 -1.08 0.27 115.31 119.01 2kiv h LEU 56 Ca 0.27 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.38 2kiv h LEU 56 Cb -0.02 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 2kiv h LEU 56 CO -0.05 -0.23 0.63 -0.61 0.09 0.00 0.00 178.44 178.27 2kiv h GLN 57 N -0.42 0.95 0.41 1.13 5.75 -0.62 0.22 115.11 122.52 2kiv h GLN 57 Ca -0.04 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 2kiv h GLN 57 Cb 0.31 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.65 2kiv h GLN 57 CO 0.07 0.63 -0.20 0.00 -2.65 0.00 0.00 178.83 176.68 2kiv h ALA 58 N 1.55 -1.00 -0.03 3.38 0.00 -0.86 0.36 119.26 122.67 2kiv h ALA 58 Ca 0.50 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.30 2kiv h ALA 58 Cb 0.52 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2kiv h ALA 58 CO -0.27 -0.96 0.14 0.97 0.00 0.00 0.00 179.25 179.13 2kiv h ILE 59 N -0.62 0.08 0.00 0.00 6.09 -0.29 0.47 117.51 123.25 2kiv h ILE 59 Ca -0.06 0.00 -0.17 0.00 -1.37 0.00 0.00 64.86 63.27 2kiv h ILE 59 Cb 0.42 0.87 -0.03 0.00 0.47 0.00 0.00 36.82 38.55 2kiv h ILE 59 CO 0.09 0.00 -1.21 -0.61 -3.07 0.00 0.00 178.15 173.35 2kiv h GLN 60 N 0.00 0.00 -0.00 2.19 5.75 -0.35 -3.32 115.11 119.38 2kiv h GLN 60 Ca 0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2kiv h GLN 60 Cb 0.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.84 2kiv h GLN 60 CO -0.00 0.39 -0.75 1.47 -2.65 0.00 0.00 178.83 177.29 2kiv n LEU 61 N -3.00 1.19 -4.35 -2.39 -0.00 0.13 -4.99 117.00 103.58 2kiv n LEU 61 Ca -0.07 -0.48 -0.37 0.00 -0.00 0.00 0.00 56.01 55.10 2kiv n LEU 61 Cb 0.84 -0.04 0.05 0.00 -0.00 0.00 0.00 43.42 44.27 2kiv n LEU 61 CO 0.43 0.26 -0.29 0.18 -0.00 0.00 0.00 177.39 177.96 2kiv n LEU 62 N -1.08 -1.15 0.00 1.47 4.77 0.14 -4.98 117.00 116.17 2kiv n LEU 62 Ca 0.06 0.53 -0.03 0.00 -0.03 0.00 0.00 56.01 56.55 2kiv n LEU 62 Cb 0.37 -1.07 0.02 0.00 -2.33 0.00 0.00 43.42 40.41 2kiv n LEU 62 CO 0.37 -3.91 0.05 -0.81 -1.33 0.00 0.00 177.39 171.76 2kiv n PRO 63 N 0.17 -1.21 -3.59 3.23 -0.04 -1.26 -5.06 135.00 127.23 2kiv n PRO 63 Ca 0.08 -0.15 -0.26 0.00 -0.04 0.00 0.00 63.50 63.13 2kiv n PRO 63 Cb 0.50 -0.14 -0.16 0.00 -0.04 0.00 0.00 33.50 33.66 2kiv n PRO 63 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kiv s LYS 64 N -3.21 0.09 0.00 0.54 3.01 -1.26 -5.07 119.74 113.85 2kiv s LYS 64 Ca 0.06 -0.12 0.00 0.00 -1.01 0.00 0.00 55.97 54.90 2kiv s LYS 64 Cb -0.01 -1.68 0.00 0.00 -1.01 0.00 0.00 37.83 35.13 2kiv s LYS 64 CO 0.05 -0.72 0.79 -1.33 0.51 0.00 0.00 175.35 174.64 2kiv n MET 65 N 5.28 0.00 -3.46 1.68 2.81 -1.26 -4.93 117.12 117.24 2kiv n MET 65 Ca -0.07 0.50 -0.11 0.00 -1.81 0.00 0.00 57.70 56.21 2kiv n MET 65 Cb 0.48 -1.29 -0.02 0.00 -0.71 0.00 0.00 33.22 31.68 2kiv n MET 65 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2kiv s ARG 66 N -2.14 1.26 0.46 0.03 0.52 -1.26 -5.03 118.95 112.79 2kiv s ARG 66 Ca 0.00 -0.49 0.31 0.00 -0.52 0.00 0.00 55.73 55.03 2kiv s ARG 66 Cb 0.00 0.57 1.27 0.00 0.52 0.00 0.00 34.95 37.31 2kiv s ARG 66 CO 0.00 -0.56 1.91 -1.00 0.02 0.00 0.00 175.30 175.67 2kiv h PRO 67 N 2.00 0.00 -6.41 3.54 0.13 -2.05 -3.43 132.00 125.78 2kiv h PRO 67 Ca -0.32 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.27 2kiv h PRO 67 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2kiv h PRO 67 CO 0.36 0.00 0.53 0.42 -0.23 0.00 0.00 178.00 179.08 2kiv s ILE 68 N -3.57 4.40 -0.29 -3.56 1.09 -1.26 -4.94 121.20 113.08 2kiv s ILE 68 Ca 0.02 1.72 0.21 0.00 -1.10 0.00 0.00 60.65 61.50 2kiv s ILE 68 Cb 0.09 -4.10 0.49 0.00 -1.06 0.00 0.00 42.46 37.88 2kiv s ILE 68 CO 0.49 0.10 1.06 0.61 -0.10 0.00 0.00 174.94 177.09 2kiv n GLY 69 N 3.14 1.67 3.58 6.18 0.00 -1.26 -5.08 105.19 113.42 2kiv n GLY 69 Ca 0.08 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 2kiv n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kiv s HIS 70 N -3.45 2.73 0.35 1.61 3.76 -1.26 -5.11 115.29 113.92 2kiv s HIS 70 Ca 0.27 -0.16 -0.25 0.00 -0.15 0.00 0.00 55.06 54.76 2kiv s HIS 70 Cb 0.38 -1.42 -0.10 0.00 1.11 0.00 0.00 32.58 32.55 2kiv s HIS 70 CO -0.01 0.44 0.99 0.16 -0.85 0.00 0.00 174.74 175.47 2kiv s ASP 71 N -2.28 7.12 0.11 1.40 1.47 -1.26 -4.98 116.67 118.25 2kiv s ASP 71 Ca 0.22 1.93 -0.13 0.00 1.18 0.00 0.00 52.55 55.75 2kiv s ASP 71 Cb -0.11 -2.58 -0.09 0.00 -0.34 0.00 0.00 42.92 39.80 2kiv s ASP 71 CO 0.14 -0.23 1.40 1.23 0.68 0.00 0.00 175.17 178.39 2kiv h GLY 72 N 2.94 0.87 -2.00 2.12 0.00 -2.05 -3.46 103.07 101.49 2kiv h GLY 72 Ca -0.47 -0.97 -0.51 0.00 0.00 0.00 0.00 47.33 45.38 2kiv h GLY 72 CO 0.64 0.87 -0.36 0.00 0.00 0.00 0.00 176.54 177.69 2kiv s ALA 73 N -4.19 4.12 -0.13 3.60 0.00 -1.26 -5.12 121.76 118.78 2kiv s ALA 73 Ca -0.12 -1.83 -0.07 0.00 0.00 0.00 0.00 51.96 49.94 2kiv s ALA 73 Cb 0.09 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 2kiv s ALA 73 CO 0.86 -0.28 0.13 -1.58 0.00 0.00 0.00 175.76 174.89 2kiv s HIS 74 N -2.53 3.55 -0.63 0.00 2.46 -1.26 -5.03 115.29 111.85 2kiv s HIS 74 Ca 0.47 0.49 -0.26 0.00 0.47 0.00 0.00 55.06 56.22 2kiv s HIS 74 Cb -0.03 -1.97 -0.02 0.00 -0.13 0.00 0.00 32.58 30.43 2kiv s HIS 74 CO 0.27 0.66 1.87 -1.25 -2.47 0.00 0.00 174.74 173.83 2kiv s PRO 75 N -0.82 2.62 0.01 2.88 0.04 -1.26 -4.87 135.00 133.59 2kiv s PRO 75 Ca 0.14 0.54 -0.25 0.00 0.04 0.00 0.00 61.00 61.47 2kiv s PRO 75 Cb -0.12 -4.44 -0.14 0.00 0.04 0.00 0.00 34.50 29.84 2kiv s PRO 75 CO 0.03 -2.79 1.07 1.15 0.04 0.00 0.00 177.00 176.51 2kiv h THR 76 N 6.92 0.16 -3.96 1.26 2.02 -1.96 -3.48 112.91 113.88 2kiv h THR 76 Ca -0.23 -0.41 -0.45 0.00 0.77 0.00 0.00 66.41 66.09 2kiv h THR 76 Cb 1.15 0.23 -0.14 0.00 -1.74 0.00 0.00 68.15 67.66 2kiv h THR 76 CO 1.22 0.03 -0.53 -0.55 0.37 0.00 0.00 175.52 176.05 2kiv s SER 77 N -4.66 1.77 0.39 4.18 0.15 -1.26 -4.92 113.70 109.35 2kiv s SER 77 Ca -0.13 -1.63 0.12 0.00 0.70 0.00 0.00 55.95 55.01 2kiv s SER 77 Cb 0.02 0.45 0.93 0.00 -1.71 0.00 0.00 66.02 65.71 2kiv s SER 77 CO 0.43 -0.94 1.88 0.58 1.20 0.00 0.00 173.24 176.39 2kiv h VAL 78 N 2.13 0.80 0.38 4.45 2.07 -1.89 0.09 116.25 124.28 2kiv h VAL 78 Ca -0.32 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2kiv h VAL 78 Cb 1.25 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2kiv h VAL 78 CO 0.49 0.10 -0.18 0.00 0.02 0.00 0.00 177.57 178.00 2kiv h ALA 79 N 1.62 -0.78 -0.84 1.67 0.00 -1.96 -0.32 119.26 118.65 2kiv h ALA 79 Ca 0.42 -0.11 0.23 0.00 0.00 0.00 0.00 54.91 55.45 2kiv h ALA 79 Cb 0.82 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2kiv h ALA 79 CO -0.17 -0.74 0.60 1.49 0.00 0.00 0.00 179.25 180.42 2kiv h GLU 80 N -0.73 0.09 0.35 0.00 4.57 -1.91 0.10 114.58 117.06 2kiv h GLU 80 Ca -0.05 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2kiv h GLU 80 Cb 0.39 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2kiv h GLU 80 CO 0.09 0.06 -0.17 2.35 -1.18 0.00 0.00 179.01 180.16 2kiv h TRP 81 N 0.09 -0.44 -0.06 0.92 7.01 -0.95 -3.22 115.95 119.31 2kiv h TRP 81 Ca 0.41 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.42 2kiv h TRP 81 Cb 1.49 0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 28.69 2kiv h TRP 81 CO -0.00 -0.27 0.15 -0.07 -2.79 0.00 0.00 178.44 175.46 2kiv h LEU 82 N -1.02 0.00 -2.27 0.65 3.38 -0.49 -0.60 115.31 114.95 2kiv h LEU 82 Ca -0.05 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2kiv h LEU 82 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2kiv h LEU 82 CO 0.08 0.00 0.20 -0.78 0.09 0.00 0.00 178.44 178.03 2kiv h ASP 83 N 0.00 0.00 0.60 -0.43 1.82 -0.82 0.26 116.42 117.85 2kiv h ASP 83 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2kiv h ASP 83 Cb 0.33 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.34 2kiv h ASP 83 CO -0.00 0.00 -0.99 -1.20 -1.61 0.00 0.00 179.24 175.44 2kiv n SER 84 N -3.67 0.64 -1.34 2.28 7.64 -0.23 -3.90 113.62 115.03 2kiv n SER 84 Ca 0.01 -0.04 0.05 0.00 1.01 0.00 0.00 58.87 59.90 2kiv n SER 84 Cb 0.31 0.66 0.26 0.00 -1.01 0.00 0.00 64.21 64.43 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 -2.13 1.65 -1.75 0.44 2.08 0.89 -4.87 119.36 115.67 2kiv n ILE 85 Ca 0.02 -0.88 -0.19 0.00 0.56 0.00 0.00 62.75 62.26 2kiv n ILE 85 Cb 0.46 -0.27 -0.06 0.00 -0.75 0.00 0.00 39.64 39.02 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 0.48 -1.51 -4.81 0.38 1.02 -1.15 -4.95 120.64 110.10 2kiv n GLU 86 Ca 0.18 1.08 -0.27 0.00 -0.02 0.00 0.00 57.16 58.13 2kiv n GLU 86 Cb 0.81 -5.50 -0.15 0.00 -0.02 0.00 0.00 31.44 26.58 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 -4.85 2.12 0.00 -4.62 1.43 -0.95 -5.02 118.68 106.79 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 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.18 2kiv s LEU 87 CO 0.00 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.39 2kiv n GLY 88 N 2.09 0.00 0.36 -3.19 0.00 -1.26 -3.47 105.19 99.71 2kiv n GLY 88 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 0.24 -0.60 1.61 3.32 -1.99 -0.25 116.42 118.76 2kiv h ASP 89 Ca 0.00 0.01 0.17 0.00 0.02 0.00 0.00 57.03 57.23 2kiv h ASP 89 Cb 0.20 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2kiv h ASP 89 CO 0.00 0.14 0.43 1.88 -1.72 0.00 0.00 179.24 179.97 2kiv h TYR 90 N 0.27 0.01 -1.00 4.55 0.05 -2.00 -0.55 116.97 118.29 2kiv h TYR 90 Ca 0.26 0.00 0.26 0.00 0.05 0.00 0.00 58.73 59.29 2kiv h TYR 90 Cb 0.65 -0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.32 2kiv h TYR 90 CO -0.00 0.00 0.67 1.15 -1.05 0.00 0.00 178.16 178.93 2kiv h THR 91 N 0.01 0.56 0.27 -2.88 2.02 -1.38 -0.47 112.91 111.04 2kiv h THR 91 Ca 0.28 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 2kiv h THR 91 Cb 1.13 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2kiv h THR 91 CO -0.01 0.05 -0.13 0.11 0.37 0.00 0.00 175.52 175.92 2kiv h LYS 92 N 0.30 -0.35 -0.29 6.66 1.79 -1.28 -0.67 116.57 122.73 2kiv h LYS 92 Ca 0.53 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 59.03 2kiv h LYS 92 Cb 1.54 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 32.25 2kiv h LYS 92 CO -0.19 -0.14 0.17 0.00 -1.08 0.00 0.00 179.45 178.22 2kiv h ALA 93 N 0.20 0.37 -0.62 3.86 0.00 -1.29 -1.10 119.26 120.68 2kiv h ALA 93 Ca -0.04 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2kiv h ALA 93 Cb 0.37 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2kiv h ALA 93 CO 0.06 -0.13 0.34 0.74 0.00 0.00 0.00 179.25 180.26 2kiv h PHE 94 N 0.37 0.62 0.73 0.00 0.04 -1.13 0.25 116.94 117.82 2kiv h PHE 94 Ca 0.10 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.86 2kiv h PHE 94 Cb 0.01 -0.19 0.01 0.00 2.20 0.00 0.00 35.95 37.98 2kiv h PHE 94 CO -0.04 0.30 -0.35 -0.07 -0.60 0.00 0.00 178.31 177.54 2kiv h LEU 95 N 0.63 -0.83 -2.00 1.54 3.38 -0.85 0.73 115.31 117.90 2kiv h LEU 95 Ca 0.27 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.42 2kiv h LEU 95 Cb 0.16 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2kiv h LEU 95 CO -0.17 -0.53 0.37 0.16 0.09 0.00 0.00 178.44 178.36 2kiv h ILE 96 N -1.13 0.74 0.00 1.22 3.07 -1.12 0.24 117.51 120.54 2kiv h ILE 96 Ca -0.10 0.00 -0.08 0.00 1.55 0.00 0.00 64.86 66.23 2kiv h ILE 96 Cb 0.76 0.74 -0.01 0.00 -0.27 0.00 0.00 36.82 38.04 2kiv h ILE 96 CO 0.17 0.00 -0.40 0.78 -1.05 0.00 0.00 178.15 177.65 2kiv h ASN 97 N 0.00 0.00 0.00 2.16 -0.26 -0.32 -3.47 115.58 113.70 2kiv h ASN 97 Ca 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 2kiv h ASN 97 Cb 0.98 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.24 2kiv h ASN 97 CO -0.00 0.40 0.00 0.61 -1.06 0.00 0.00 177.43 177.37 2kiv n GLY 98 N 0.07 1.64 2.07 2.83 0.00 0.84 -5.01 105.19 107.63 2kiv n GLY 98 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2kiv n GLY 98 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kiv n TYR 99 N -0.55 2.46 0.23 1.61 4.01 0.18 -4.50 117.16 120.60 2kiv n TYR 99 Ca 0.00 -2.16 0.06 0.00 -0.16 0.00 0.00 57.90 55.64 2kiv n TYR 99 Cb 0.00 -1.06 0.54 0.00 -0.31 0.00 0.00 39.34 38.51 2kiv n TYR 99 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2kiv h THR 100 N 0.91 1.05 -3.31 -0.72 1.35 -1.85 -3.43 112.91 106.91 2kiv h THR 100 Ca 0.48 -0.60 -0.56 0.00 -0.55 0.00 0.00 66.41 65.18 2kiv h THR 100 Cb 1.50 1.33 -0.04 0.00 -1.73 0.00 0.00 68.15 69.21 2kiv h THR 100 CO 1.09 0.17 -0.00 -0.55 -0.25 0.00 0.00 175.52 175.97 2kiv s SER 101 N -6.89 7.06 -0.01 5.36 0.15 -1.26 -4.86 113.70 113.25 2kiv s SER 101 Ca -0.04 1.29 -0.22 0.00 0.70 0.00 0.00 55.95 57.68 2kiv s SER 101 Cb 0.15 -2.37 -0.14 0.00 -1.71 0.00 0.00 66.02 61.95 2kiv s SER 101 CO 0.68 0.22 0.98 -0.03 1.20 0.00 0.00 173.24 176.29 2kiv h MET 102 N 4.25 -0.49 -0.90 5.44 4.05 -1.91 -3.12 114.93 122.25 2kiv h MET 102 Ca -0.49 0.03 0.26 0.00 -0.28 0.00 0.00 59.70 59.22 2kiv h MET 102 Cb 1.21 0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 32.08 2kiv h MET 102 CO 0.64 -0.18 0.65 0.38 0.23 0.00 0.00 176.91 178.63 2kiv h ASP 103 N -0.97 0.01 -0.95 1.39 2.03 -1.97 0.67 116.42 116.63 2kiv h ASP 103 Ca -0.05 0.00 0.13 0.00 -0.73 0.00 0.00 57.03 56.38 2kiv h ASP 103 Cb 0.53 -0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.94 2kiv h ASP 103 CO 0.09 0.00 0.57 0.25 -1.03 0.00 0.00 179.24 179.12 2kiv h LEU 104 N 0.01 0.80 -2.13 0.15 6.46 -1.93 0.26 115.31 118.93 2kiv h LEU 104 Ca 0.43 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 58.24 2kiv h LEU 104 Cb 1.70 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 41.54 2kiv h LEU 104 CO -0.01 0.39 -0.07 -0.07 -0.62 0.00 0.00 178.44 178.06 2kiv h LEU 105 N 0.86 0.00 -2.72 2.25 3.38 -0.96 -0.41 115.31 117.72 2kiv h LEU 105 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 2kiv h LEU 105 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2kiv h LEU 105 CO -0.30 0.07 0.00 1.17 0.09 0.00 0.00 178.44 179.47 2kiv n LYS 106 N -3.76 3.30 -0.46 1.13 4.81 0.86 -4.08 118.16 119.96 2kiv n LYS 106 Ca -0.02 -2.47 0.07 0.00 -0.87 0.00 0.00 58.31 55.01 2kiv n LYS 106 Cb 0.17 -1.79 0.19 0.00 0.02 0.00 0.00 35.03 33.63 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 1.01 1.52 -4.08 1.64 4.81 -0.16 -5.02 118.16 117.86 2kiv n LYS 107 Ca 0.22 -3.12 -0.14 0.00 -0.87 0.00 0.00 58.31 54.41 2kiv n LYS 107 Cb 0.77 -1.59 -0.11 0.00 0.02 0.00 0.00 35.03 34.11 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 -3.14 0.64 0.52 3.15 -4.36 -1.25 -5.05 121.20 111.70 2kiv s ILE 108 Ca 0.37 -1.16 0.06 0.00 -0.26 0.00 0.00 60.65 59.66 2kiv s ILE 108 Cb 0.35 -0.74 0.05 0.00 1.25 0.00 0.00 42.46 43.37 2kiv s ILE 108 CO -0.04 -0.38 0.71 0.00 0.24 0.00 0.00 174.94 175.46 2kiv s ALA 109 N -1.48 4.38 0.30 2.27 0.00 -1.26 -4.89 121.76 121.08 2kiv s ALA 109 Ca -0.08 -1.74 0.05 0.00 0.00 0.00 0.00 51.96 50.19 2kiv s ALA 109 Cb -0.09 -1.70 0.71 0.00 0.00 0.00 0.00 23.12 22.04 2kiv s ALA 109 CO 0.00 -0.64 1.76 1.05 0.00 0.00 0.00 175.76 177.94 2kiv h GLU 110 N 0.29 0.68 -0.21 0.00 4.11 -2.01 -0.52 114.58 116.92 2kiv h GLU 110 Ca -0.37 -0.04 -0.11 0.00 0.07 0.00 0.00 59.36 58.91 2kiv h GLU 110 Cb 1.28 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 2kiv h GLU 110 CO 0.45 0.45 -0.30 -0.24 0.07 0.00 0.00 179.01 179.44 2kiv h VAL 111 N 0.70 1.33 -0.96 -1.06 3.04 -1.97 -1.09 116.25 116.24 2kiv h VAL 111 Ca 0.56 -1.51 0.07 0.00 -1.01 0.00 0.00 66.70 64.82 2kiv h VAL 111 Cb 0.89 1.79 -0.07 0.00 -2.01 0.00 0.00 31.29 31.90 2kiv h VAL 111 CO -0.40 0.47 0.62 -0.33 -1.01 0.00 0.00 177.57 176.92 2kiv h GLU 112 N 0.26 1.05 0.11 4.17 4.39 -1.52 0.28 114.58 123.31 2kiv h GLU 112 Ca 0.02 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2kiv h GLU 112 Cb 0.88 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2kiv h GLU 112 CO 0.07 0.69 -0.05 1.25 -1.16 0.00 0.00 179.01 179.81 2kiv h LEU 113 N 1.08 -0.13 -2.90 1.33 5.85 -1.13 0.27 115.31 119.69 2kiv h LEU 113 Ca 0.42 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kiv h LEU 113 Cb 0.23 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 2kiv h LEU 113 CO -0.17 0.50 0.03 0.40 -0.34 0.00 0.00 178.44 178.86 2kiv h ILE 114 N -0.90 0.01 0.00 4.05 2.04 -1.03 0.18 117.51 121.87 2kiv h ILE 114 Ca -0.02 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.72 2kiv h ILE 114 Cb 0.54 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2kiv h ILE 114 CO 0.03 0.00 -1.13 -3.20 0.00 0.00 0.00 178.15 173.84 2kiv n ASN 115 N -3.07 1.88 0.43 1.72 5.15 0.96 -2.99 115.26 119.32 2kiv n ASN 115 Ca -0.03 0.47 -0.18 0.00 -0.60 0.00 0.00 54.58 54.23 2kiv n ASN 115 Cb 0.10 -0.85 -0.09 0.00 -0.53 0.00 0.00 39.78 38.41 2kiv n ASN 115 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2kiv h VAL 116 N -1.00 0.14 0.00 3.44 2.07 -0.30 -2.88 116.25 117.72 2kiv h VAL 116 Ca -0.20 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2kiv h VAL 116 Cb 0.99 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2kiv h VAL 116 CO -0.12 0.01 0.00 -0.07 0.02 0.00 0.00 177.57 177.41 2kiv h LEU 117 N -1.17 0.00 -2.11 2.57 -0.00 -0.80 -3.47 115.31 110.33 2kiv h LEU 117 Ca -0.11 0.00 -0.43 0.00 -0.00 0.00 0.00 57.88 57.34 2kiv h LEU 117 Cb 0.84 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 41.54 2kiv h LEU 117 CO 0.18 0.00 -0.87 0.29 -0.00 0.00 0.00 178.44 178.05 2kiv n LYS 118 N -2.50 -3.71 -0.09 1.13 5.02 -1.09 -4.92 118.16 111.99 2kiv n LYS 118 Ca 0.03 0.55 -0.18 0.00 -2.02 0.00 0.00 58.31 56.69 2kiv n LYS 118 Cb 0.32 -4.87 -0.11 0.00 -0.02 0.00 0.00 35.03 30.35 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 -1.82 1.15 -6.94 -0.18 2.04 -1.73 -3.48 117.51 106.54 2kiv h ILE 119 Ca -0.63 -2.16 -0.57 0.00 1.00 0.00 0.00 64.86 62.50 2kiv h ILE 119 Cb 1.36 2.47 -0.32 0.00 -0.74 0.00 0.00 36.82 39.59 2kiv h ILE 119 CO 0.56 0.39 -0.84 -0.46 0.00 0.00 0.00 178.15 177.80 2kiv n ASN 120 N -4.51 -2.24 -3.83 1.72 0.23 -1.26 -4.90 115.26 100.47 2kiv n ASN 120 Ca -0.23 -1.09 -0.26 0.00 -0.53 0.00 0.00 54.58 52.48 2kiv n ASN 120 Cb 0.58 -1.91 -0.17 0.00 -2.08 0.00 0.00 39.78 36.20 2kiv n ASN 120 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2kiv s LEU 121 N -7.13 1.02 0.17 -4.53 2.96 -1.26 -5.03 118.68 104.88 2kiv s LEU 121 Ca 0.77 -0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 54.18 2kiv s LEU 121 Cb -0.44 -0.67 0.12 0.00 0.50 0.00 0.00 46.19 45.70 2kiv s LEU 121 CO 0.94 -0.18 1.65 0.40 -1.32 0.00 0.00 176.35 177.84 2kiv h ILE 122 N 6.31 0.51 0.00 6.68 2.04 -1.90 0.29 117.51 131.44 2kiv h ILE 122 Ca -0.23 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2kiv h ILE 122 Cb 1.12 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2kiv h ILE 122 CO 0.34 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.10 2kiv n GLY 123 N -1.35 -2.94 0.25 5.37 0.00 -0.40 -0.07 105.19 106.05 2kiv n GLY 123 Ca 0.03 0.31 0.03 0.00 0.00 0.00 0.00 46.02 46.39 2kiv n GLY 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2kiv h HIS 124 N 0.00 0.34 0.14 1.61 3.86 -1.71 -1.28 115.15 118.11 2kiv h HIS 124 Ca 0.00 0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2kiv h HIS 124 Cb 0.00 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 2kiv h HIS 124 CO -0.23 0.00 -0.49 -0.09 0.86 0.00 0.00 177.93 177.99 2kiv h ARG 125 N 0.34 -0.69 -0.42 2.45 2.43 -0.18 0.76 114.38 119.07 2kiv h ARG 125 Ca 0.36 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.66 2kiv h ARG 125 Cb 0.55 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.18 2kiv h ARG 125 CO -0.41 -0.46 -0.05 -0.22 -1.51 0.00 0.00 179.97 177.32 2kiv h LYS 126 N -0.72 0.05 0.15 0.20 3.64 0.00 0.27 116.57 120.17 2kiv h LYS 126 Ca -0.01 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2kiv h LYS 126 Cb 0.71 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 2kiv h LYS 126 CO -0.25 0.04 -0.24 -0.09 -2.27 0.00 0.00 179.45 176.64 2kiv h ARG 127 N 0.06 -0.40 -0.10 1.90 2.43 -0.77 0.25 114.38 117.74 2kiv h ARG 127 Ca 0.21 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.45 2kiv h ARG 127 Cb 0.31 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.89 2kiv h ARG 127 CO -0.39 -0.27 -0.27 0.82 -1.51 0.00 0.00 179.97 178.35 2kiv h ILE 128 N -0.41 0.37 -0.71 1.20 2.04 -0.66 0.40 117.51 119.73 2kiv h ILE 128 Ca -0.02 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.04 2kiv h ILE 128 Cb 0.38 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2kiv h ILE 128 CO -0.08 0.00 0.50 -0.07 0.00 0.00 0.00 178.15 178.50 2kiv h LEU 129 N -0.36 0.06 -0.04 1.44 3.38 -0.36 -0.84 115.31 118.60 2kiv h LEU 129 Ca 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2kiv h LEU 129 Cb 0.50 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2kiv h LEU 129 CO -0.31 0.03 -0.15 0.00 0.09 0.00 0.00 178.44 178.10 2kiv h ALA 130 N 1.65 0.07 -0.23 1.53 0.00 0.15 0.14 119.26 122.58 2kiv h ALA 130 Ca 0.34 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2kiv h ALA 130 Cb 1.26 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2kiv h ALA 130 CO -0.02 0.00 0.10 0.66 0.00 0.00 0.00 179.25 179.99 2kiv h SER 131 N -0.40 0.15 -0.20 0.00 4.64 0.14 -2.94 113.55 114.93 2kiv h SER 131 Ca -0.01 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 2kiv h SER 131 Cb 0.80 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2kiv h SER 131 CO 0.03 0.12 -0.42 -0.07 -0.87 0.00 0.00 176.83 175.62 2kiv h LEU 132 N 0.22 0.71 0.00 5.97 3.38 -1.32 -3.50 115.31 120.78 2kiv h LEU 132 Ca 0.09 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2kiv h LEU 132 Cb 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2kiv h LEU 132 CO -0.07 1.14 0.00 0.61 0.09 0.00 0.00 178.44 180.20 2kiv n GLY 133 N 0.43 2.36 3.79 0.83 0.00 0.48 -5.07 105.19 108.01 2kiv n GLY 133 Ca -0.06 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 2kiv n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kiv s ASP 134 N 0.00 3.80 0.00 1.61 1.01 -1.23 -4.93 116.67 116.93 2kiv s ASP 134 Ca 0.00 1.10 0.23 0.00 0.71 0.00 0.00 52.55 54.59 2kiv s ASP 134 Cb 0.00 -1.73 0.18 0.00 1.01 0.00 0.00 42.92 42.38 2kiv s ASP 134 CO 0.00 -2.38 1.24 -2.11 0.21 0.00 0.00 175.17 172.13