#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 2.84 -0.06 7.34 2.00 -1.26 -5.12 119.66 125.40 2kiv s GLN 2 Ca 0.00 -0.83 0.03 0.00 -2.00 0.00 0.00 55.36 52.56 2kiv s GLN 2 Cb 0.00 -2.64 0.01 0.00 0.80 0.00 0.00 33.01 31.17 2kiv s GLN 2 CO 0.00 0.51 -0.14 0.99 -0.50 0.00 0.00 175.29 176.15 2kiv s THR 3 N -1.60 1.26 0.23 -0.34 2.01 -1.26 -4.23 115.64 111.71 2kiv s THR 3 Ca 0.30 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 2kiv s THR 3 Cb -0.11 -1.12 0.20 0.00 0.01 0.00 0.00 72.50 71.48 2kiv s THR 3 CO 0.22 0.38 1.71 0.58 -0.69 0.00 0.00 174.62 176.82 2kiv h VAL 4 N 5.68 0.62 -0.84 3.82 2.07 -1.90 -0.45 116.25 125.24 2kiv h VAL 4 Ca -0.31 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 67.19 2kiv h VAL 4 Cb 1.19 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 2kiv h VAL 4 CO 0.48 0.06 0.49 1.23 0.02 0.00 0.00 177.57 179.85 2kiv h GLY 5 N 0.33 1.30 0.61 2.17 0.00 -1.94 0.25 103.07 105.80 2kiv h GLY 5 Ca 0.38 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2kiv h GLY 5 CO -0.43 0.16 -0.08 -1.61 0.00 0.00 0.00 176.54 174.58 2kiv h GLN 6 N 0.84 -0.22 0.19 4.80 4.15 -1.56 -0.39 115.11 122.93 2kiv h GLN 6 Ca 0.40 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.84 2kiv h GLN 6 Cb 0.33 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 2kiv h GLN 6 CO -0.23 0.14 -0.19 2.35 -1.93 0.00 0.00 178.83 178.97 2kiv h TRP 7 N -0.62 -0.50 -0.21 3.99 7.01 -0.96 -0.12 115.95 124.55 2kiv h TRP 7 Ca -0.02 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.01 2kiv h TRP 7 Cb 0.46 0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.69 2kiv h TRP 7 CO 0.05 -0.28 0.05 1.25 -2.79 0.00 0.00 178.44 176.71 2kiv h LEU 8 N -0.41 0.02 -1.17 0.65 6.46 -0.58 -1.06 115.31 119.22 2kiv h LEU 8 Ca 0.00 0.03 0.08 0.00 -0.12 0.00 0.00 57.88 57.87 2kiv h LEU 8 Cb 0.39 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.29 2kiv h LEU 8 CO -0.05 0.04 0.58 -0.08 -0.62 0.00 0.00 178.44 178.32 2kiv h GLU 9 N 0.13 0.92 0.48 1.25 4.81 -0.85 0.18 114.58 121.50 2kiv h GLU 9 Ca 0.10 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2kiv h GLU 9 Cb 0.09 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2kiv h GLU 9 CO -0.12 0.61 -0.23 1.03 -0.73 0.00 0.00 179.01 179.57 2kiv h SER 10 N 0.95 -0.54 0.13 1.04 0.87 -0.29 -2.97 113.55 112.74 2kiv h SER 10 Ca 0.40 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 2kiv h SER 10 Cb 0.31 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2kiv h SER 10 CO -0.16 -0.19 -0.04 0.16 -0.53 0.00 0.00 176.83 176.07 2kiv h ILE 11 N -0.94 0.45 0.00 2.23 3.07 -0.95 -3.45 117.51 117.92 2kiv h ILE 11 Ca -0.07 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.18 2kiv h ILE 11 Cb 0.59 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 38.25 2kiv h ILE 11 CO 0.11 0.03 0.00 0.61 -1.05 0.00 0.00 178.15 177.85 2kiv n GLY 12 N -1.07 0.61 3.41 0.16 0.00 0.61 -4.97 105.19 103.94 2kiv n GLY 12 Ca -0.03 0.23 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 2kiv n GLY 12 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kiv s LEU 13 N 0.00 -0.42 -1.09 0.99 2.34 -1.18 -4.74 118.68 114.58 2kiv s LEU 13 Ca 0.00 -0.05 -0.23 0.00 0.06 0.00 0.00 54.13 53.90 2kiv s LEU 13 Cb 0.00 2.48 -0.07 0.00 -0.56 0.00 0.00 46.19 48.04 2kiv s LEU 13 CO 0.00 -0.95 1.94 -2.16 -1.06 0.00 0.00 176.35 174.11 2kiv s PRO 14 N -3.76 2.51 0.00 1.48 0.04 -1.26 -4.22 135.00 129.79 2kiv s PRO 14 Ca 0.01 -0.87 0.00 0.00 0.04 0.00 0.00 61.00 60.18 2kiv s PRO 14 Cb -0.01 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.35 2kiv s PRO 14 CO -0.13 -3.78 0.00 1.04 0.04 0.00 0.00 177.00 174.17 2kiv n GLN 15 N 8.47 0.00 0.00 4.56 6.02 -1.26 -4.83 117.38 130.34 2kiv n GLN 15 Ca 0.43 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.55 2kiv n GLN 15 Cb 0.47 -0.19 0.47 0.00 1.02 0.00 0.00 30.24 32.01 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 -2.33 0.00 -0.33 1.08 4.01 -1.26 -3.94 117.16 114.39 2kiv n TYR 16 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 2kiv n TYR 16 Cb 0.06 -0.35 0.27 0.00 -0.31 0.00 0.00 39.34 39.01 2kiv n TYR 16 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2kiv h GLU 17 N 0.09 0.70 0.90 -0.72 -0.00 -1.88 -0.77 114.58 112.90 2kiv h GLU 17 Ca 0.00 -0.04 -0.04 0.00 -0.00 0.00 0.00 59.36 59.28 2kiv h GLU 17 Cb 0.48 -0.16 0.01 0.00 -0.00 0.00 0.00 28.75 29.08 2kiv h GLU 17 CO 0.00 0.46 -0.46 -0.91 -0.00 0.00 0.00 179.01 178.10 2kiv h ASN 18 N 0.72 -1.11 -0.22 3.06 2.35 -1.95 -0.95 115.58 117.48 2kiv h ASN 18 Ca 0.52 0.05 0.06 0.00 -0.55 0.00 0.00 56.30 56.37 2kiv h ASN 18 Cb 0.75 0.30 -0.07 0.00 0.05 0.00 0.00 38.32 39.35 2kiv h ASN 18 CO -0.37 -0.76 -0.24 0.45 -1.65 0.00 0.00 177.43 174.86 2kiv h HIS 19 N -1.25 -0.65 0.06 1.19 3.86 -1.67 0.12 115.15 116.81 2kiv h HIS 19 Ca -0.12 0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.13 2kiv h HIS 19 Cb 0.97 0.32 -0.03 0.00 1.06 0.00 0.00 27.41 29.72 2kiv h HIS 19 CO -0.03 -0.32 -0.36 -0.07 0.86 0.00 0.00 177.93 178.00 2kiv h LEU 20 N -0.26 -1.10 -0.21 2.43 4.07 -1.11 0.33 115.31 119.46 2kiv h LEU 20 Ca 0.13 0.12 0.05 0.00 0.08 0.00 0.00 57.88 58.26 2kiv h LEU 20 Cb 0.46 0.41 -0.07 0.00 1.08 0.00 0.00 40.66 42.54 2kiv h LEU 20 CO -0.37 -0.37 -0.35 0.24 -1.08 0.00 0.00 178.44 176.50 2kiv h MET 21 N -0.50 -0.37 -0.20 1.13 2.86 0.50 0.53 114.93 118.89 2kiv h MET 21 Ca -0.00 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 2kiv h MET 21 Cb 0.51 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 2kiv h MET 21 CO -0.21 -0.25 0.23 0.00 1.06 0.00 0.00 176.91 177.75 2kiv h ALA 22 N 0.42 1.80 -0.45 6.32 0.00 -0.48 0.28 119.26 127.16 2kiv h ALA 22 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2kiv h ALA 22 Cb 0.57 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2kiv h ALA 22 CO -0.42 -0.33 0.05 0.09 0.00 0.00 0.00 179.25 178.64 2kiv n ASN 23 N -3.73 4.36 0.00 0.00 4.13 0.11 -4.87 115.26 115.26 2kiv n ASN 23 Ca 0.02 -2.73 0.00 0.00 1.68 0.00 0.00 54.58 53.55 2kiv n ASN 23 Cb 0.35 -0.65 0.00 0.00 -1.54 0.00 0.00 39.78 37.95 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 0.34 3.06 3.13 7.41 0.00 1.00 -0.58 105.19 119.55 2kiv n GLY 24 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.15 3.25 -0.01 1.61 3.72 0.15 -4.37 117.46 120.65 2kiv n PHE 25 Ca 0.00 -2.44 0.05 0.00 -0.05 0.00 0.00 57.45 55.01 2kiv n PHE 25 Cb 0.00 -2.36 -0.09 0.00 -0.94 0.00 0.00 39.48 36.09 2kiv n PHE 25 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2kiv n ASP 26 N 8.09 2.40 -4.27 4.37 5.68 -1.26 -0.74 116.55 130.82 2kiv n ASP 26 Ca 0.50 0.00 -0.32 0.00 -0.50 0.00 0.00 54.79 54.47 2kiv n ASP 26 Cb 0.42 1.47 -0.16 0.00 -1.14 0.00 0.00 41.12 41.71 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 -3.38 3.33 0.44 -1.12 2.47 -1.26 -4.24 114.94 111.17 2kiv s ASN 27 Ca -0.04 -0.49 0.14 0.00 0.42 0.00 0.00 52.86 52.89 2kiv s ASN 27 Cb 0.07 -1.38 1.04 0.00 -1.45 0.00 0.00 41.25 39.53 2kiv s ASN 27 CO 0.47 0.18 1.98 0.58 -3.72 0.00 0.00 177.10 176.59 2kiv h VAL 28 N 5.53 0.89 -0.28 -5.21 2.07 -1.90 0.02 116.25 117.38 2kiv h VAL 28 Ca -0.23 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.24 2kiv h VAL 28 Cb 1.22 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2kiv h VAL 28 CO 0.49 0.07 0.29 -0.61 0.02 0.00 0.00 177.57 177.83 2kiv h GLN 29 N 0.39 0.00 -0.73 1.57 4.15 -1.95 -0.58 115.11 117.96 2kiv h GLN 29 Ca 0.27 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.87 2kiv h GLN 29 Cb 0.54 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.19 2kiv h GLN 29 CO -0.07 0.00 0.50 0.00 -1.93 0.00 0.00 178.83 177.33 2kiv h ALA 30 N 1.69 2.35 -0.56 3.38 0.00 -1.37 0.56 119.26 125.31 2kiv h ALA 30 Ca 0.13 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.70 2kiv h ALA 30 Cb 0.70 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.29 2kiv h ALA 30 CO -0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 179.25 178.66 2kiv n MET 31 N -4.42 2.26 -0.04 0.00 0.00 -0.23 -4.53 117.12 110.16 2kiv n MET 31 Ca 0.14 -3.36 -0.01 0.00 0.00 0.00 0.00 57.70 54.48 2kiv n MET 31 Cb 0.64 -1.98 -0.00 0.00 0.00 0.00 0.00 33.22 31.88 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 1.32 0.00 0.86 3.17 0.00 -0.92 -3.36 103.07 104.14 2kiv h GLY 32 Ca 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.55 2kiv h GLY 32 CO 0.67 0.00 -0.33 0.23 0.00 0.00 0.00 176.54 177.10 2kiv h SER 33 N -0.78 0.59 -3.69 0.19 0.87 -1.85 -3.40 113.55 105.47 2kiv h SER 33 Ca 0.00 -0.55 -0.70 0.00 -1.23 0.00 0.00 61.79 59.31 2kiv h SER 33 Cb 0.09 -0.17 -0.34 0.00 -0.44 0.00 0.00 62.40 61.53 2kiv h SER 33 CO 0.00 1.03 -0.47 0.20 -0.53 0.00 0.00 176.83 177.06 2kiv s ASN 34 N -6.48 5.30 0.37 6.23 -0.87 -1.26 -5.08 114.94 113.14 2kiv s ASN 34 Ca -0.13 -2.31 -0.27 0.00 -1.57 0.00 0.00 52.86 48.59 2kiv s ASN 34 Cb 0.06 -1.86 -0.12 0.00 -0.02 0.00 0.00 41.25 39.32 2kiv s ASN 34 CO 0.81 -0.50 1.19 1.33 -2.57 0.00 0.00 177.10 177.36 2kiv n VAL 35 N 4.24 2.22 -0.70 1.60 0.24 -1.26 -4.55 118.33 120.12 2kiv n VAL 35 Ca 0.01 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.48 2kiv n VAL 35 Cb 0.40 -1.40 0.16 0.00 -1.47 0.00 0.00 33.84 31.53 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 0.38 -1.30 -3.99 7.34 2.81 -1.26 -5.04 117.12 116.05 2kiv n MET 36 Ca 0.07 -0.36 -0.10 0.00 -1.81 0.00 0.00 57.70 55.51 2kiv n MET 36 Cb 0.37 -1.72 -0.05 0.00 -0.71 0.00 0.00 33.22 31.11 2kiv n MET 36 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2kiv s GLU 37 N -3.47 1.63 0.35 0.03 2.02 -1.26 -4.94 118.70 113.06 2kiv s GLU 37 Ca 0.56 -1.30 0.03 0.00 0.02 0.00 0.00 54.97 54.27 2kiv s GLU 37 Cb -0.14 0.48 0.64 0.00 0.10 0.00 0.00 34.13 35.22 2kiv s GLU 37 CO 0.67 -0.69 1.98 0.38 0.02 0.00 0.00 175.26 177.62 2kiv h ASP 38 N 2.22 0.74 0.01 -0.19 2.03 -1.96 -0.82 116.42 118.46 2kiv h ASP 38 Ca -0.26 -0.01 0.02 0.00 -0.73 0.00 0.00 57.03 56.05 2kiv h ASP 38 Cb 1.25 -0.18 -0.05 0.00 -0.83 0.00 0.00 39.33 39.52 2kiv h ASP 38 CO 0.35 0.52 -0.53 -0.61 -1.03 0.00 0.00 179.24 177.94 2kiv h GLN 39 N 0.87 -0.65 -0.36 4.15 4.15 -1.99 -0.64 115.11 120.63 2kiv h GLN 39 Ca 0.27 0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.62 2kiv h GLN 39 Cb 0.03 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 2kiv h GLN 39 CO -0.07 -0.44 -0.27 -0.44 -1.93 0.00 0.00 178.83 175.68 2kiv h ASP 40 N -0.68 0.76 -0.78 -0.69 3.32 -1.93 -0.13 116.42 116.30 2kiv h ASP 40 Ca 0.01 -0.29 0.15 0.00 0.02 0.00 0.00 57.03 56.93 2kiv h ASP 40 Cb 0.73 -0.21 -0.10 0.00 0.22 0.00 0.00 39.33 39.97 2kiv h ASP 40 CO -0.35 0.99 0.32 0.25 -1.72 0.00 0.00 179.24 178.72 2kiv h LEU 41 N 0.64 0.29 0.05 1.55 7.12 -0.52 0.21 115.31 124.64 2kiv h LEU 41 Ca 0.08 0.12 -0.29 0.00 0.13 0.00 0.00 57.88 57.92 2kiv h LEU 41 Cb 0.78 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.98 2kiv h LEU 41 CO 0.06 0.09 -1.53 0.25 -0.13 0.00 0.00 178.44 177.18 2kiv h LEU 42 N 0.44 0.17 -2.00 2.25 5.85 -1.03 -3.25 115.31 117.74 2kiv h LEU 42 Ca 0.44 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2kiv h LEU 42 Cb 0.70 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 2kiv h LEU 42 CO -0.43 1.23 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.72 2kiv h GLU 43 N 0.03 0.00 0.00 1.25 4.81 -0.06 -3.30 114.58 117.30 2kiv h GLU 43 Ca -0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2kiv h GLU 43 Cb 1.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.35 2kiv h GLU 43 CO 0.12 0.10 0.00 -0.89 -0.73 0.00 0.00 179.01 177.61 2kiv n ILE 44 N -3.82 0.00 0.00 2.32 5.41 0.65 -5.05 119.36 118.88 2kiv n ILE 44 Ca -0.02 0.29 0.00 0.00 1.00 0.00 0.00 62.75 64.02 2kiv n ILE 44 Cb 0.20 -0.89 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 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 2.19 0.15 2.70 7.39 0.00 -1.23 -5.08 105.19 111.32 2kiv n GLY 45 Ca 0.00 0.31 -0.20 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.30 -0.04 -0.61 1.01 -1.26 -4.96 121.20 115.05 2kiv s ILE 46 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.96 2kiv s ILE 46 Cb 0.00 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.51 2kiv s ILE 46 CO 0.00 -0.57 0.04 -0.11 0.00 0.00 0.00 174.94 174.30 2kiv n LEU 47 N 5.04 0.04 -4.55 2.97 7.94 -1.26 -4.39 117.00 122.80 2kiv n LEU 47 Ca 0.00 -0.45 -0.34 0.00 -1.11 0.00 0.00 56.01 54.11 2kiv n LEU 47 Cb 0.45 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.35 2kiv n LEU 47 CO 0.03 0.01 1.98 0.59 -1.11 0.00 0.00 177.39 178.89 2kiv n ASN 48 N -1.08 2.11 -1.88 1.96 4.13 -1.26 -1.84 115.26 117.40 2kiv n ASN 48 Ca 0.00 -0.55 -0.18 0.00 1.68 0.00 0.00 54.58 55.53 2kiv n ASN 48 Cb 0.02 -1.54 -0.05 0.00 -1.54 0.00 0.00 39.78 36.67 2kiv n ASN 48 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2kiv n SER 49 N 15.77 -4.90 -3.18 6.41 2.88 -1.26 -3.33 113.62 126.01 2kiv n SER 49 Ca 0.40 0.29 -0.20 0.00 -1.33 0.00 0.00 58.87 58.03 2kiv n SER 49 Cb 0.50 -4.28 0.02 0.00 -0.75 0.00 0.00 64.21 59.70 2kiv n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kiv n GLY 50 N -0.58 -0.78 0.14 0.46 0.00 -0.77 -4.86 105.19 98.81 2kiv n GLY 50 Ca -0.19 1.10 0.15 0.00 0.00 0.00 0.00 46.02 47.07 2kiv n GLY 50 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kiv n HIS 51 N -0.60 0.01 -0.13 1.61 -0.00 -1.21 -3.99 115.22 110.91 2kiv n HIS 51 Ca -0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.67 2kiv n HIS 51 Cb 0.56 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.59 2kiv n HIS 51 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kiv h ARG 52 N 0.68 0.20 -0.06 1.57 3.08 -1.89 -0.97 114.38 117.00 2kiv h ARG 52 Ca 0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2kiv h ARG 52 Cb 0.14 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2kiv h ARG 52 CO 0.00 0.13 0.03 0.37 -1.07 0.00 0.00 179.97 179.43 2kiv h GLN 53 N 0.21 0.08 0.22 0.04 5.75 -1.96 0.01 115.11 119.45 2kiv h GLN 53 Ca 0.20 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 2kiv h GLN 53 Cb 0.25 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 2kiv h GLN 53 CO -0.27 0.12 -0.35 -0.09 -2.65 0.00 0.00 178.83 175.60 2kiv h ARG 54 N 0.01 -0.58 -1.00 1.69 9.65 -1.69 -0.29 114.38 122.17 2kiv h ARG 54 Ca 0.02 0.04 0.13 0.00 -1.10 0.00 0.00 59.98 59.07 2kiv h ARG 54 Cb 0.07 0.13 -0.09 0.00 -1.39 0.00 0.00 29.97 28.69 2kiv h ARG 54 CO -0.00 -0.39 0.63 0.82 2.80 0.00 0.00 179.97 183.83 2kiv h ILE 55 N -0.60 0.89 0.14 1.20 2.04 -1.21 0.25 117.51 120.23 2kiv h ILE 55 Ca -0.02 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2kiv h ILE 55 Cb 0.56 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2kiv h ILE 55 CO -0.12 0.17 -0.11 -0.07 0.00 0.00 0.00 178.15 178.03 2kiv h LEU 56 N 0.95 -0.28 -1.75 1.44 3.38 -0.42 0.25 115.31 118.89 2kiv h LEU 56 Ca 0.51 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.65 2kiv h LEU 56 Cb 0.56 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2kiv h LEU 56 CO -0.28 -0.15 0.47 -0.61 0.09 0.00 0.00 178.44 177.96 2kiv h GLN 57 N -0.24 0.24 0.14 1.13 4.15 -0.90 0.16 115.11 119.79 2kiv h GLN 57 Ca -0.02 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2kiv h GLN 57 Cb 0.20 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.83 2kiv h GLN 57 CO 0.01 0.16 -0.07 0.00 -1.93 0.00 0.00 178.83 177.00 2kiv h ALA 58 N 1.67 -0.74 -0.52 3.38 0.00 -0.60 0.22 119.26 122.66 2kiv h ALA 58 Ca 0.33 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.36 2kiv h ALA 58 Cb 0.95 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2kiv h ALA 58 CO -0.07 -0.73 0.43 0.97 0.00 0.00 0.00 179.25 179.85 2kiv h ILE 59 N -0.24 0.56 0.07 0.00 6.09 -0.31 0.33 117.51 124.01 2kiv h ILE 59 Ca -0.02 0.00 -0.24 0.00 -1.37 0.00 0.00 64.86 63.23 2kiv h ILE 59 Cb 0.14 0.68 -0.01 0.00 0.47 0.00 0.00 36.82 38.10 2kiv h ILE 59 CO 0.03 0.00 -1.10 -0.61 -3.07 0.00 0.00 178.15 173.40 2kiv h GLN 60 N 0.00 0.19 0.00 2.19 4.15 -0.94 -3.24 115.11 117.47 2kiv h GLN 60 Ca 0.25 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2kiv h GLN 60 Cb 1.11 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2kiv h GLN 60 CO -0.00 1.11 -0.30 -0.07 -1.93 0.00 0.00 178.83 177.63 2kiv h LEU 61 N 0.07 0.00 -9.78 -2.39 3.38 0.25 -3.47 115.31 103.37 2kiv h LEU 61 Ca -0.08 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.34 2kiv h LEU 61 Cb 1.82 0.00 0.21 0.00 0.09 0.00 0.00 40.66 42.77 2kiv h LEU 61 CO 0.17 0.00 -0.48 0.18 0.09 0.00 0.00 178.44 178.40 2kiv n LEU 62 N -2.89 0.29 0.00 1.67 4.77 0.84 -4.99 117.00 116.68 2kiv n LEU 62 Ca 0.03 0.41 -0.02 0.00 -0.03 0.00 0.00 56.01 56.40 2kiv n LEU 62 Cb 0.53 -1.23 0.02 0.00 -2.33 0.00 0.00 43.42 40.41 2kiv n LEU 62 CO 0.36 -3.40 0.04 -0.81 -1.33 0.00 0.00 177.39 172.25 2kiv n PRO 63 N -1.54 -1.17 -3.77 3.23 -0.04 -1.26 -5.04 135.00 125.42 2kiv n PRO 63 Ca 0.08 -0.12 -0.36 0.00 -0.04 0.00 0.00 63.50 63.06 2kiv n PRO 63 Cb 0.52 -0.11 -0.06 0.00 -0.04 0.00 0.00 33.50 33.82 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 -3.17 3.58 -0.53 0.54 1.02 -1.26 -5.07 119.74 114.85 2kiv s LYS 64 Ca 0.05 -0.03 -0.07 0.00 0.02 0.00 0.00 55.97 55.94 2kiv s LYS 64 Cb -0.00 -3.15 0.14 0.00 -0.52 0.00 0.00 37.83 34.30 2kiv s LYS 64 CO 0.04 0.71 0.39 1.41 -0.92 0.00 0.00 175.35 176.97 2kiv s MET 65 N -1.38 2.53 0.41 1.68 -2.45 -1.26 -4.97 119.30 113.87 2kiv s MET 65 Ca 0.22 -2.01 0.00 0.00 -1.25 0.00 0.00 55.69 52.65 2kiv s MET 65 Cb -0.13 -3.88 0.00 0.00 1.25 0.00 0.00 34.83 32.06 2kiv s MET 65 CO 0.11 -1.18 0.00 -2.13 1.05 0.00 0.00 175.02 172.87 2kiv n ARG 66 N 4.46 -3.38 -0.01 4.11 0.63 -1.26 -4.80 116.66 116.41 2kiv n ARG 66 Ca -0.01 2.55 -0.00 0.00 -0.92 0.00 0.00 57.85 59.46 2kiv n ARG 66 Cb 0.41 -2.95 0.00 0.00 0.45 0.00 0.00 32.46 30.37 2kiv n ARG 66 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2kiv n PRO 67 N -1.30 -1.04 -3.31 -0.14 -0.04 -1.26 -5.00 135.00 122.91 2kiv n PRO 67 Ca 0.00 -0.02 -0.38 0.00 -0.04 0.00 0.00 63.50 63.06 2kiv n PRO 67 Cb 0.10 -0.01 -0.07 0.00 -0.04 0.00 0.00 33.50 33.48 2kiv n PRO 67 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2kiv s ILE 68 N -1.02 5.17 0.00 0.52 2.07 -1.26 -4.81 121.20 121.87 2kiv s ILE 68 Ca 0.01 0.89 0.00 0.00 -1.41 0.00 0.00 60.65 60.14 2kiv s ILE 68 Cb -0.00 -3.80 0.00 0.00 0.13 0.00 0.00 42.46 38.79 2kiv s ILE 68 CO 0.00 0.26 0.00 0.61 -1.91 0.00 0.00 174.94 173.91 2kiv n GLY 69 N 3.61 -0.71 2.99 1.50 0.00 -1.26 -5.06 105.19 106.26 2kiv n GLY 69 Ca -0.07 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 2kiv n GLY 69 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kiv n HIS 70 N -2.47 -1.82 -3.59 1.61 -0.00 -1.26 -5.03 115.22 102.66 2kiv n HIS 70 Ca 0.00 0.77 -0.16 0.00 -0.00 0.00 0.00 57.72 58.33 2kiv n HIS 70 Cb 0.00 -4.47 -0.07 0.00 -0.00 0.00 0.00 29.99 25.45 2kiv n HIS 70 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2kiv s ASP 71 N -4.04 -0.64 0.00 0.26 2.15 -1.26 -5.11 116.67 108.03 2kiv s ASP 71 Ca 0.04 0.94 0.00 0.00 0.43 0.00 0.00 52.55 53.95 2kiv s ASP 71 Cb -0.00 0.87 0.00 0.00 -0.30 0.00 0.00 42.92 43.49 2kiv s ASP 71 CO 0.60 -0.44 0.00 0.61 -0.17 0.00 0.00 175.17 175.77 2kiv n GLY 72 N 1.69 -1.07 3.10 2.66 0.00 -1.26 -5.17 105.19 105.14 2kiv n GLY 72 Ca -0.17 0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 2kiv n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kiv n ALA 73 N -1.83 0.45 -3.56 4.61 0.00 -1.26 -5.09 120.51 113.83 2kiv n ALA 73 Ca 0.00 -1.93 -0.34 0.00 0.00 0.00 0.00 53.44 51.17 2kiv n ALA 73 Cb 0.00 1.17 -0.07 0.00 0.00 0.00 0.00 19.45 20.56 2kiv n ALA 73 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2kiv n HIS 74 N -0.97 3.73 -0.02 0.00 -0.00 -1.26 -4.89 115.22 111.81 2kiv n HIS 74 Ca -0.12 -3.98 -0.13 0.00 -0.00 0.00 0.00 57.72 53.49 2kiv n HIS 74 Cb 0.56 -0.95 -0.09 0.00 -0.00 0.00 0.00 29.99 29.50 2kiv n HIS 74 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2kiv h PRO 75 N 5.44 0.06 -4.26 -0.41 0.13 -1.99 -3.47 132.00 127.51 2kiv h PRO 75 Ca 0.17 -0.03 -0.24 0.00 -0.87 0.00 0.00 66.00 65.03 2kiv h PRO 75 Cb 0.74 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 2kiv h PRO 75 CO 0.89 0.54 -0.33 0.25 -0.23 0.00 0.00 178.00 179.12 2kiv n THR 76 N -4.80 -0.61 -3.64 1.56 -2.24 -1.26 -4.84 114.28 98.46 2kiv n THR 76 Ca -0.08 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.60 2kiv n THR 76 Cb 0.27 -1.58 -0.07 0.00 -2.10 0.00 0.00 70.33 66.85 2kiv n THR 76 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kiv s SER 77 N -2.16 -0.86 0.17 3.42 0.01 -1.26 -4.94 113.70 108.09 2kiv s SER 77 Ca 0.07 1.48 -0.17 0.00 1.31 0.00 0.00 55.95 58.65 2kiv s SER 77 Cb -0.04 1.42 0.11 0.00 0.21 0.00 0.00 66.02 67.72 2kiv s SER 77 CO 0.09 -0.24 1.67 0.58 0.41 0.00 0.00 173.24 175.74 2kiv h VAL 78 N 4.57 0.58 -0.80 3.43 2.07 -1.83 0.24 116.25 124.51 2kiv h VAL 78 Ca -0.30 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 2kiv h VAL 78 Cb 1.20 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 2kiv h VAL 78 CO 0.11 0.00 0.35 0.00 0.02 0.00 0.00 177.57 178.05 2kiv h ALA 79 N 1.42 1.11 0.00 1.67 0.00 -1.93 0.26 119.26 121.79 2kiv h ALA 79 Ca 0.20 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2kiv h ALA 79 Cb 0.31 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kiv h ALA 79 CO -0.43 0.65 -0.22 1.49 0.00 0.00 0.00 179.25 180.74 2kiv h GLU 80 N 1.15 0.00 0.14 0.00 4.57 -1.53 0.26 114.58 119.17 2kiv h GLU 80 Ca 0.27 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 58.13 2kiv h GLU 80 Cb 0.17 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2kiv h GLU 80 CO -0.03 0.22 -1.68 2.35 -1.18 0.00 0.00 179.01 178.70 2kiv h TRP 81 N 0.00 0.53 0.00 0.92 7.01 0.18 -3.36 115.95 121.23 2kiv h TRP 81 Ca -0.00 -0.39 -0.15 0.00 2.11 0.00 0.00 58.89 60.46 2kiv h TRP 81 Cb 0.62 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.63 2kiv h TRP 81 CO 0.00 1.66 -0.73 -0.07 -2.79 0.00 0.00 178.44 176.50 2kiv h LEU 82 N -0.10 0.00 -0.43 0.65 3.38 -0.44 -3.27 115.31 115.10 2kiv h LEU 82 Ca -0.35 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.70 2kiv h LEU 82 Cb 1.93 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.61 2kiv h LEU 82 CO 0.10 0.73 0.01 -0.78 0.09 0.00 0.00 178.44 178.59 2kiv h ASP 83 N 0.00 -0.15 0.25 -0.43 3.58 0.33 0.31 116.42 120.31 2kiv h ASP 83 Ca -0.01 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2kiv h ASP 83 Cb 1.35 0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.57 2kiv h ASP 83 CO 0.10 -0.04 0.00 -1.28 -2.88 0.00 0.00 179.24 175.14 2kiv h SER 84 N 0.13 0.00 -0.82 2.28 0.87 -1.70 -1.33 113.55 112.96 2kiv h SER 84 Ca 0.21 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 60.36 2kiv h SER 84 Cb 0.30 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.02 2kiv h SER 84 CO -0.34 0.00 0.45 -0.38 -0.53 0.00 0.00 176.83 176.03 2kiv n ILE 85 N -2.60 3.03 -2.48 2.23 5.41 0.89 -4.89 119.36 120.95 2kiv n ILE 85 Ca -0.01 -2.11 -0.12 0.00 1.00 0.00 0.00 62.75 61.51 2kiv n ILE 85 Cb 0.11 -0.43 -0.01 0.00 -0.71 0.00 0.00 39.64 38.61 2kiv n ILE 85 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2kiv n GLU 86 N -1.08 -2.31 -4.53 0.38 1.02 -0.50 -4.93 120.64 108.68 2kiv n GLU 86 Ca 0.52 0.57 -0.26 0.00 -0.02 0.00 0.00 57.16 57.97 2kiv n GLU 86 Cb 1.50 -5.17 -0.17 0.00 -0.02 0.00 0.00 31.44 27.59 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 -5.62 1.64 0.00 -4.62 1.43 -0.08 -5.00 118.68 106.43 2kiv s LEU 87 Ca 0.01 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2kiv s LEU 87 Cb -0.01 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.30 2kiv s LEU 87 CO 0.02 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.23 2kiv n GLY 88 N 3.99 0.00 0.29 -3.19 0.00 -1.26 -1.81 105.19 103.22 2kiv n GLY 88 Ca -0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 0.28 -1.03 1.61 3.32 -1.98 0.15 116.42 118.76 2kiv h ASP 89 Ca 0.00 0.13 0.26 0.00 0.02 0.00 0.00 57.03 57.44 2kiv h ASP 89 Cb 0.39 0.11 -0.09 0.00 0.22 0.00 0.00 39.33 39.96 2kiv h ASP 89 CO 0.00 0.07 0.67 1.88 -1.72 0.00 0.00 179.24 180.14 2kiv h TYR 90 N 0.43 0.62 -0.94 4.55 0.05 -2.00 0.37 116.97 120.03 2kiv h TYR 90 Ca 0.46 0.02 0.26 0.00 0.05 0.00 0.00 58.73 59.52 2kiv h TYR 90 Cb 0.77 -0.18 -0.14 0.00 1.01 0.00 0.00 36.73 38.19 2kiv h TYR 90 CO -0.16 0.07 0.45 1.15 -1.05 0.00 0.00 178.16 178.61 2kiv h THR 91 N 0.38 0.39 -0.19 -2.88 2.02 -1.03 0.18 112.91 111.79 2kiv h THR 91 Ca 0.58 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.66 2kiv h THR 91 Cb 1.51 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2kiv h THR 91 CO -0.27 0.07 0.05 0.50 0.37 0.00 0.00 175.52 176.23 2kiv h LYS 92 N 0.36 0.13 -0.17 6.66 3.64 -1.05 0.68 116.57 126.81 2kiv h LYS 92 Ca 0.63 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.97 2kiv h LYS 92 Cb 1.30 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 2kiv h LYS 92 CO -0.57 0.08 0.00 0.00 -2.27 0.00 0.00 179.45 176.69 2kiv h ALA 93 N 1.13 0.23 -0.83 5.00 0.00 -0.88 -1.00 119.26 122.91 2kiv h ALA 93 Ca 0.08 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.87 2kiv h ALA 93 Cb 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2kiv h ALA 93 CO -0.10 -0.07 0.50 0.74 0.00 0.00 0.00 179.25 180.32 2kiv h PHE 94 N 0.05 0.91 0.43 0.00 -1.00 -0.62 0.58 116.94 117.31 2kiv h PHE 94 Ca 0.05 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 2kiv h PHE 94 Cb 0.37 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.65 2kiv h PHE 94 CO 0.03 0.44 -0.21 -0.07 -1.61 0.00 0.00 178.31 176.89 2kiv h LEU 95 N 0.89 -0.49 -1.99 1.54 4.07 -0.77 0.38 115.31 118.93 2kiv h LEU 95 Ca 0.37 0.02 0.30 0.00 0.08 0.00 0.00 57.88 58.65 2kiv h LEU 95 Cb 0.23 0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.06 2kiv h LEU 95 CO -0.20 -0.20 0.75 0.16 -1.08 0.00 0.00 178.44 177.88 2kiv h ILE 96 N -0.89 0.48 0.06 1.22 3.07 -1.11 0.50 117.51 120.83 2kiv h ILE 96 Ca -0.06 -0.00 -0.24 0.00 1.55 0.00 0.00 64.86 66.11 2kiv h ILE 96 Cb 0.45 0.47 -0.00 0.00 -0.27 0.00 0.00 36.82 37.47 2kiv h ILE 96 CO 0.10 0.00 -1.06 -1.13 -1.05 0.00 0.00 178.15 175.01 2kiv h ASN 97 N 0.01 0.34 0.00 2.16 -0.73 -0.83 -3.48 115.58 113.04 2kiv h ASN 97 Ca 0.50 -0.32 0.00 0.00 1.87 0.00 0.00 56.30 58.34 2kiv h ASN 97 Cb 1.99 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 40.47 2kiv h ASN 97 CO -0.01 1.19 0.00 0.61 -0.37 0.00 0.00 177.43 178.85 2kiv n GLY 98 N 1.22 0.73 0.87 1.57 0.00 0.17 -5.04 105.19 104.72 2kiv n GLY 98 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.88 -0.07 1.61 4.01 0.12 -4.75 117.16 118.95 2kiv n TYR 99 Ca 0.00 -1.09 -0.09 0.00 -0.16 0.00 0.00 57.90 56.56 2kiv n TYR 99 Cb 0.00 -0.34 -0.03 0.00 -0.31 0.00 0.00 39.34 38.66 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 1.37 0.24 -3.87 -0.72 1.35 -1.86 -3.43 112.91 106.00 2kiv h THR 100 Ca 0.06 0.00 -0.50 0.00 -0.55 0.00 0.00 66.41 65.42 2kiv h THR 100 Cb 1.46 0.24 0.21 0.00 -1.73 0.00 0.00 68.15 68.33 2kiv h THR 100 CO 0.24 0.00 0.03 -0.24 -0.25 0.00 0.00 175.52 175.31 2kiv n SER 101 N -5.41 -0.50 -0.11 5.36 2.88 -1.26 -4.46 113.62 110.12 2kiv n SER 101 Ca -0.01 0.26 -0.19 0.00 -1.33 0.00 0.00 58.87 57.60 2kiv n SER 101 Cb 0.33 -1.38 -0.09 0.00 -0.75 0.00 0.00 64.21 62.32 2kiv n SER 101 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2kiv n MET 102 N -4.06 0.52 -0.27 -1.46 0.00 -1.26 -4.26 117.12 106.33 2kiv n MET 102 Ca 0.09 0.16 -0.01 0.00 0.00 0.00 0.00 57.70 57.94 2kiv n MET 102 Cb 0.53 -1.39 0.05 0.00 0.00 0.00 0.00 33.22 32.42 2kiv n MET 102 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 2kiv h ASP 103 N -0.34 -1.04 -0.36 7.83 3.32 -1.97 0.61 116.42 124.47 2kiv h ASP 103 Ca -0.52 0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 2kiv h ASP 103 Cb 1.65 0.58 -0.02 0.00 0.22 0.00 0.00 39.33 41.76 2kiv h ASP 103 CO -0.19 -0.28 0.19 0.17 -1.72 0.00 0.00 179.24 177.40 2kiv h LEU 104 N -0.06 0.50 -0.28 1.55 8.10 -1.97 -0.34 115.31 122.80 2kiv h LEU 104 Ca 0.32 -0.04 0.00 0.00 0.11 0.00 0.00 57.88 58.27 2kiv h LEU 104 Cb 0.57 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.67 2kiv h LEU 104 CO -0.80 0.43 0.00 0.18 -4.11 0.00 0.00 178.44 174.14 2kiv n LEU 105 N -4.40 0.20 -0.55 0.17 4.77 0.21 -1.37 117.00 116.02 2kiv n LEU 105 Ca 0.03 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.63 2kiv n LEU 105 Cb 0.12 -0.55 0.09 0.00 -2.33 0.00 0.00 43.42 40.76 2kiv n LEU 105 CO 0.37 -0.43 0.51 1.17 -1.33 0.00 0.00 177.39 177.67 2kiv n LYS 106 N -1.73 1.39 -0.02 3.23 4.81 -0.16 -4.39 118.16 121.28 2kiv n LYS 106 Ca 0.02 -1.51 0.03 0.00 -0.87 0.00 0.00 58.31 55.98 2kiv n LYS 106 Cb 0.14 -1.25 0.04 0.00 0.02 0.00 0.00 35.03 33.98 2kiv n LYS 106 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2kiv n LYS 107 N 0.65 2.50 -2.74 1.64 2.85 -0.47 -4.79 118.16 117.81 2kiv n LYS 107 Ca 0.09 -1.80 -0.24 0.00 -1.05 0.00 0.00 58.31 55.31 2kiv n LYS 107 Cb 0.35 -1.14 0.02 0.00 -0.65 0.00 0.00 35.03 33.61 2kiv n LYS 107 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 2kiv s ILE 108 N -1.53 3.71 0.29 0.58 2.07 -1.09 -5.05 121.20 120.18 2kiv s ILE 108 Ca 0.09 -0.35 0.11 0.00 -1.41 0.00 0.00 60.65 59.09 2kiv s ILE 108 Cb 0.08 -3.41 -0.05 0.00 0.13 0.00 0.00 42.46 39.21 2kiv s ILE 108 CO 0.01 -0.33 -0.11 0.00 -1.91 0.00 0.00 174.94 172.59 2kiv s ALA 109 N -2.73 2.94 0.10 1.50 0.00 -1.26 -4.91 121.76 117.40 2kiv s ALA 109 Ca 0.51 -1.87 -0.33 0.00 0.00 0.00 0.00 51.96 50.28 2kiv s ALA 109 Cb -0.10 -0.37 -0.14 0.00 0.00 0.00 0.00 23.12 22.51 2kiv s ALA 109 CO 0.40 0.22 1.52 1.49 0.00 0.00 0.00 175.76 179.40 2kiv h GLU 110 N 2.08 -0.65 -0.99 0.00 4.81 -1.97 -0.32 114.58 117.54 2kiv h GLU 110 Ca -0.42 0.04 0.19 0.00 -0.13 0.00 0.00 59.36 59.04 2kiv h GLU 110 Cb 1.26 0.15 -0.11 0.00 0.63 0.00 0.00 28.75 30.68 2kiv h GLU 110 CO 0.62 -0.44 0.59 -0.24 -0.73 0.00 0.00 179.01 178.82 2kiv h VAL 111 N -0.68 0.71 -0.76 0.32 3.04 -1.97 0.50 116.25 117.40 2kiv h VAL 111 Ca 0.00 -0.26 -0.00 0.00 -1.01 0.00 0.00 66.70 65.43 2kiv h VAL 111 Cb 0.70 -0.11 -0.04 0.00 -2.01 0.00 0.00 31.29 29.84 2kiv h VAL 111 CO -0.30 0.14 0.46 -0.33 -1.01 0.00 0.00 177.57 176.52 2kiv h GLU 112 N 0.75 1.03 -0.37 4.17 5.08 -1.66 0.48 114.58 124.06 2kiv h GLU 112 Ca 0.57 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.77 2kiv h GLU 112 Cb 0.87 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2kiv h GLU 112 CO -0.38 0.73 -0.03 1.25 -1.00 0.00 0.00 179.01 179.58 2kiv h LEU 113 N 1.04 0.66 -0.41 1.33 7.12 0.70 0.39 115.31 126.13 2kiv h LEU 113 Ca 0.27 -0.33 0.00 0.00 0.13 0.00 0.00 57.88 57.96 2kiv h LEU 113 Cb -0.03 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 39.92 2kiv h LEU 113 CO -0.05 0.82 0.00 0.40 -0.13 0.00 0.00 178.44 179.48 2kiv h ILE 114 N 0.47 0.00 0.00 4.05 2.04 -0.92 0.20 117.51 123.35 2kiv h ILE 114 Ca 0.10 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 2kiv h ILE 114 Cb 0.50 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2kiv h ILE 114 CO 0.02 0.00 -1.62 0.59 0.00 0.00 0.00 178.15 177.14 2kiv n ASN 115 N -2.61 0.37 -0.08 1.72 4.13 0.17 -3.19 115.26 115.77 2kiv n ASN 115 Ca 0.04 0.15 -0.09 0.00 1.68 0.00 0.00 54.58 56.35 2kiv n ASN 115 Cb 0.39 1.23 -0.03 0.00 -1.54 0.00 0.00 39.78 39.83 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 -2.49 1.46 0.42 2.41 0.31 0.13 -4.58 118.33 115.99 2kiv n VAL 116 Ca -0.05 0.13 0.13 0.00 -0.01 0.00 0.00 64.34 64.54 2kiv n VAL 116 Cb 0.62 -2.24 0.37 0.00 -0.91 0.00 0.00 33.84 31.68 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 -0.89 0.00 -0.21 7.52 -0.00 -0.79 -3.47 115.31 117.46 2kiv h LEU 117 Ca -0.05 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.51 2kiv h LEU 117 Cb 0.94 0.00 0.09 0.00 -0.00 0.00 0.00 40.66 41.69 2kiv h LEU 117 CO -0.03 0.00 -0.52 0.29 -0.00 0.00 0.00 178.44 178.18 2kiv n LYS 118 N -2.64 -5.42 -2.63 1.13 4.76 -1.03 -4.93 118.16 107.40 2kiv n LYS 118 Ca 0.04 0.70 -0.42 0.00 -2.87 0.00 0.00 58.31 55.76 2kiv n LYS 118 Cb 0.43 -5.24 -0.03 0.00 -1.84 0.00 0.00 35.03 28.35 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 -3.17 3.91 0.03 -0.18 1.01 -1.25 -4.84 121.20 116.71 2kiv s ILE 119 Ca 0.38 0.32 0.10 0.00 0.00 0.00 0.00 60.65 61.45 2kiv s ILE 119 Cb -0.17 -4.83 -0.19 0.00 0.01 0.00 0.00 42.46 37.28 2kiv s ILE 119 CO 0.47 -1.68 1.05 0.78 0.00 0.00 0.00 174.94 175.56 2kiv h ASN 120 N 9.84 0.00 -2.41 3.58 2.35 -1.91 -3.43 115.58 123.60 2kiv h ASN 120 Ca -0.28 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 54.92 2kiv h ASN 120 Cb 1.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.43 2kiv h ASN 120 CO 1.24 0.94 1.24 -0.22 -1.65 0.00 0.00 177.43 178.98 2kiv s LEU 121 N -6.43 4.09 0.32 1.61 2.96 -1.26 -4.87 118.68 115.11 2kiv s LEU 121 Ca -0.01 2.21 0.02 0.00 -0.22 0.00 0.00 54.13 56.13 2kiv s LEU 121 Cb 0.09 -3.53 0.55 0.00 0.50 0.00 0.00 46.19 43.80 2kiv s LEU 121 CO 0.82 -1.27 1.91 0.40 -1.32 0.00 0.00 176.35 176.89 2kiv h ILE 122 N 6.06 1.19 -0.34 6.68 2.04 -1.87 -1.18 117.51 130.09 2kiv h ILE 122 Ca -0.43 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 2kiv h ILE 122 Cb 1.21 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2kiv h ILE 122 CO 0.96 0.24 0.17 1.23 0.00 0.00 0.00 178.15 180.74 2kiv h GLY 123 N 0.88 0.52 0.52 5.37 0.00 -1.09 0.34 103.07 109.60 2kiv h GLY 123 Ca 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 2kiv h GLY 123 CO -0.02 0.24 -0.16 0.45 0.00 0.00 0.00 176.54 177.06 2kiv h HIS 124 N 0.41 -0.41 -0.89 5.60 3.86 -1.73 -1.00 115.15 121.00 2kiv h HIS 124 Ca 0.12 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.48 2kiv h HIS 124 Cb 0.11 0.14 -0.07 0.00 1.06 0.00 0.00 27.41 28.65 2kiv h HIS 124 CO -0.02 -0.08 0.58 0.07 0.86 0.00 0.00 177.93 179.34 2kiv h ARG 125 N -0.93 0.58 -0.07 2.45 -0.00 -1.26 -1.21 114.38 113.93 2kiv h ARG 125 Ca -0.05 -0.03 -0.04 0.00 -0.00 0.00 0.00 59.98 59.86 2kiv h ARG 125 Cb 0.52 -0.13 0.00 0.00 -0.00 0.00 0.00 29.97 30.36 2kiv h ARG 125 CO 0.07 0.38 -0.13 -0.22 -0.00 0.00 0.00 179.97 180.08 2kiv h LYS 126 N 0.59 0.21 -0.29 0.08 1.63 -0.92 -0.17 116.57 117.70 2kiv h LYS 126 Ca 0.45 -0.13 0.06 0.00 -0.85 0.00 0.00 60.65 60.18 2kiv h LYS 126 Cb 0.86 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.45 2kiv h LYS 126 CO -0.20 0.72 -0.09 0.00 -3.45 0.00 0.00 179.45 176.42 2kiv h ARG 127 N -0.27 -0.02 -0.35 1.90 3.08 -0.18 0.19 114.38 118.73 2kiv h ARG 127 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2kiv h ARG 127 Cb 0.71 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 2kiv h ARG 127 CO 0.03 -0.02 -0.38 -0.84 -1.07 0.00 0.00 179.97 177.69 2kiv h ILE 128 N -0.02 1.28 -0.02 2.04 3.07 -1.32 0.49 117.51 123.02 2kiv h ILE 128 Ca 0.14 -1.55 0.00 0.00 1.55 0.00 0.00 64.86 65.00 2kiv h ILE 128 Cb 0.24 1.41 -0.00 0.00 -0.27 0.00 0.00 36.82 38.20 2kiv h ILE 128 CO -0.31 0.51 -0.00 0.25 -1.05 0.00 0.00 178.15 177.55 2kiv h LEU 129 N 0.69 -0.01 -0.57 0.16 5.85 -0.37 0.11 115.31 121.18 2kiv h LEU 129 Ca 0.06 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.63 2kiv h LEU 129 Cb 0.95 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 2kiv h LEU 129 CO 0.09 -0.00 -0.67 0.00 -0.34 0.00 0.00 178.44 177.52 2kiv h ALA 130 N 1.02 0.78 -0.11 1.25 0.00 -0.64 -0.62 119.26 120.94 2kiv h ALA 130 Ca 0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2kiv h ALA 130 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2kiv h ALA 130 CO -0.02 0.78 0.01 1.03 0.00 0.00 0.00 179.25 181.05 2kiv h SER 131 N 0.14 0.18 -0.06 0.00 0.87 -0.60 -3.26 113.55 110.82 2kiv h SER 131 Ca -0.01 -0.28 -0.07 0.00 -1.23 0.00 0.00 61.79 60.19 2kiv h SER 131 Cb 1.20 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2kiv h SER 131 CO 0.10 0.41 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.50 2kiv h LEU 132 N -0.07 0.32 0.00 2.23 3.38 -0.81 -3.50 115.31 116.85 2kiv h LEU 132 Ca 0.03 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2kiv h LEU 132 Cb 0.32 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2kiv h LEU 132 CO 0.00 0.90 0.00 0.61 0.09 0.00 0.00 178.44 180.04 2kiv n GLY 133 N 0.66 2.61 0.02 0.83 0.00 -0.24 -4.91 105.19 104.15 2kiv n GLY 133 Ca -0.08 -1.89 -0.00 0.00 0.00 0.00 0.00 46.02 44.05 2kiv n GLY 133 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kiv h ASP 134 N 0.00 0.00 -0.02 1.61 3.32 -1.89 -3.43 116.42 116.02 2kiv h ASP 134 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kiv h ASP 134 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2kiv h ASP 134 CO 0.00 0.18 0.00 -1.14 -1.72 0.00 0.00 179.24 176.56