#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 -0.53 -0.16 -0.78 3.07 -2.05 -2.56 114.58 111.57 2k0f h GLU 2 Ca 0.00 0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 58.77 2k0f h GLU 2 Cb 0.00 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2k0f h GLU 2 CO 0.00 -0.36 -0.43 1.49 -1.40 0.00 0.00 179.01 178.32 2k0f h GLU 3 N -0.55 0.37 0.24 2.33 4.81 -2.05 -2.24 114.58 117.49 2k0f h GLU 3 Ca 0.04 -0.19 -0.34 0.00 -0.13 0.00 0.00 59.36 58.75 2k0f h GLU 3 Cb 0.61 0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.03 2k0f h GLU 3 CO -0.25 0.74 -1.46 1.96 -0.73 0.00 0.00 179.01 179.26 2k0f h GLN 4 N 0.31 0.56 -0.29 1.92 4.20 -1.96 -2.72 115.11 117.13 2k0f h GLN 4 Ca 0.02 -0.93 -0.17 0.00 0.06 0.00 0.00 58.65 57.64 2k0f h GLN 4 Cb 0.88 0.34 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 2k0f h GLN 4 CO 0.07 1.44 -0.49 0.97 -0.67 0.00 0.00 178.83 180.16 2k0f h ILE 5 N 0.16 1.28 -0.50 2.54 6.09 -1.43 -2.05 117.51 123.61 2k0f h ILE 5 Ca -0.25 -1.68 0.10 0.00 -1.37 0.00 0.00 64.86 61.66 2k0f h ILE 5 Cb 2.15 1.58 -0.10 0.00 0.47 0.00 0.00 36.82 40.91 2k0f h ILE 5 CO 0.28 0.55 -0.27 0.00 -3.07 0.00 0.00 178.15 175.63 2k0f h ALA 6 N 0.81 0.03 -0.82 0.18 0.00 -1.54 -0.16 119.26 117.77 2k0f h ALA 6 Ca 0.03 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2k0f h ALA 6 Cb 1.07 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 2k0f h ALA 6 CO 0.11 -0.62 0.54 1.49 0.00 0.00 0.00 179.25 180.77 2k0f h GLU 7 N -0.15 0.97 -0.15 0.00 4.81 -1.19 0.45 114.58 119.31 2k0f h GLU 7 Ca 0.22 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 7 Cb 0.51 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.68 2k0f h GLU 7 CO -0.59 0.64 -0.61 0.35 -0.73 0.00 0.00 179.01 178.07 2k0f h PHE 8 N 1.00 0.90 0.00 0.92 3.57 -1.01 -0.24 116.94 122.08 2k0f h PHE 8 Ca 0.33 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2k0f h PHE 8 Cb 0.06 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2k0f h PHE 8 CO -0.00 1.19 0.00 -0.22 -2.23 0.00 0.00 178.31 177.05 2k0f h LYS 9 N 0.36 0.00 0.08 1.11 3.64 -0.76 -0.34 116.57 120.66 2k0f h LYS 9 Ca -0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2k0f h LYS 9 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2k0f h LYS 9 CO 0.13 0.00 -0.04 1.49 -2.27 0.00 0.00 179.45 178.76 2k0f h GLU 10 N 0.00 -0.10 -0.06 1.90 4.81 -0.76 0.24 114.58 120.61 2k0f h GLU 10 Ca 0.00 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 10 Cb 0.70 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 2k0f h GLU 10 CO 0.00 0.05 0.05 0.00 -0.73 0.00 0.00 179.01 178.38 2k0f h ALA 11 N 0.68 2.06 0.09 2.92 0.00 -0.49 -1.83 119.26 122.68 2k0f h ALA 11 Ca -0.01 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 2k0f h ALA 11 Cb 0.20 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.02 2k0f h ALA 11 CO 0.02 -0.08 -1.18 0.35 0.00 0.00 0.00 179.25 178.36 2k0f h PHE 12 N 0.00 0.96 -0.62 0.00 3.57 -0.82 -1.74 116.94 118.29 2k0f h PHE 12 Ca 0.03 -0.59 -0.05 0.00 3.53 0.00 0.00 57.97 60.89 2k0f h PHE 12 Cb 0.12 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 2k0f h PHE 12 CO 0.00 1.43 0.19 0.77 -2.23 0.00 0.00 178.31 178.47 2k0f h SER 13 N 0.29 0.88 -0.34 0.41 0.02 -0.92 -2.66 113.55 111.23 2k0f h SER 13 Ca -0.17 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 2k0f h SER 13 Cb 1.85 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 64.14 2k0f h SER 13 CO 0.22 0.83 0.18 0.25 -1.14 0.00 0.00 176.83 177.18 2k0f h LEU 14 N 0.91 0.43 -2.30 5.07 5.85 -1.29 -3.19 115.31 120.79 2k0f h LEU 14 Ca 0.20 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2k0f h LEU 14 Cb 0.27 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 2k0f h LEU 14 CO -0.01 0.40 -0.05 0.15 -0.34 0.00 0.00 178.44 178.59 2k0f h PHE 15 N 0.42 0.00 -4.22 1.25 3.57 -1.26 -3.44 116.94 113.26 2k0f h PHE 15 Ca 0.12 0.00 -0.50 0.00 3.53 0.00 0.00 57.97 61.12 2k0f h PHE 15 Cb 0.07 0.00 0.08 0.00 2.79 0.00 0.00 35.95 38.88 2k0f h PHE 15 CO -0.03 0.05 0.37 0.34 -2.23 0.00 0.00 178.31 176.81 2k0f s ASP 16 N -5.99 5.52 0.00 0.41 2.15 -1.01 -4.91 116.67 112.85 2k0f s ASP 16 Ca -0.04 1.84 0.24 0.00 0.43 0.00 0.00 52.55 55.02 2k0f s ASP 16 Cb 0.14 -2.53 0.34 0.00 -0.30 0.00 0.00 42.92 40.57 2k0f s ASP 16 CO 0.54 -1.35 1.30 0.29 -0.17 0.00 0.00 175.17 175.78 2k0f n LYS 17 N -2.32 0.26 -0.12 4.34 4.76 -1.26 -4.37 118.16 119.45 2k0f n LYS 17 Ca 0.09 -0.17 -0.24 0.00 -2.87 0.00 0.00 58.31 55.11 2k0f n LYS 17 Cb 0.53 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.14 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k0f n ASP 18 N -1.22 1.68 0.00 4.39 8.00 -1.26 -5.03 116.55 123.11 2k0f n ASP 18 Ca 0.07 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.83 2k0f n ASP 18 Cb 0.35 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.59 1.69 0.00 0.44 0.00 -1.26 -5.09 105.19 102.56 2k0f n GLY 19 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.00 0.00 0.00 1.61 5.68 -1.26 -4.95 116.55 117.63 2k0f n ASP 20 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k0f n ASP 20 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 2.65 0.00 2.65 6.12 0.00 -1.26 -4.91 105.19 110.43 2k0f n GLY 21 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2k0f n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 22 N 0.00 0.01 -0.36 2.61 2.01 -1.26 -4.21 115.64 114.44 2k0f s THR 22 Ca 0.00 -0.07 -0.26 0.00 0.31 0.00 0.00 61.69 61.68 2k0f s THR 22 Cb 0.00 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 71.99 2k0f s THR 22 CO 0.00 -0.14 0.91 -0.63 -0.69 0.00 0.00 174.62 174.06 2k0f s ILE 23 N 2.10 4.61 0.86 1.82 1.01 -1.05 -4.94 121.20 125.61 2k0f s ILE 23 Ca 0.02 1.19 -0.12 0.00 0.00 0.00 0.00 60.65 61.74 2k0f s ILE 23 Cb -0.15 -4.31 0.14 0.00 0.01 0.00 0.00 42.46 38.15 2k0f s ILE 23 CO -0.07 -0.50 1.21 0.42 0.00 0.00 0.00 174.94 176.00 2k0f s THR 24 N 3.40 2.05 0.18 2.92 -4.23 -1.26 -2.79 115.64 115.90 2k0f s THR 24 Ca 0.37 -0.08 0.19 0.00 -1.18 0.00 0.00 61.69 60.99 2k0f s THR 24 Cb -0.12 -2.96 0.15 0.00 1.34 0.00 0.00 72.50 70.90 2k0f s THR 24 CO 0.18 0.00 1.75 0.71 -0.54 0.00 0.00 174.62 176.72 2k0f h THR 25 N -1.24 0.85 0.00 3.99 1.35 -1.97 -2.05 112.91 113.85 2k0f h THR 25 Ca -0.44 -1.44 -0.12 0.00 -0.55 0.00 0.00 66.41 63.85 2k0f h THR 25 Cb 1.28 1.89 -0.02 0.00 -1.73 0.00 0.00 68.15 69.56 2k0f h THR 25 CO 0.50 0.35 -0.90 0.07 -0.25 0.00 0.00 175.52 175.29 2k0f h LYS 26 N 0.00 0.00 0.67 4.72 2.10 -1.98 -2.96 116.57 119.12 2k0f h LYS 26 Ca -0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 2k0f h LYS 26 Cb 0.86 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.19 2k0f h LYS 26 CO 0.05 0.38 -0.32 0.93 -2.00 0.00 0.00 179.45 178.49 2k0f h GLU 27 N 0.00 -0.87 -0.48 0.07 5.08 -1.76 -1.21 114.58 115.41 2k0f h GLU 27 Ca -0.07 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 27 Cb 1.44 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.83 2k0f h GLU 27 CO 0.05 -0.55 0.17 1.25 -1.00 0.00 0.00 179.01 178.93 2k0f h LEU 28 N -1.02 0.17 -1.50 1.33 5.85 -1.57 -0.58 115.31 117.99 2k0f h LEU 28 Ca -0.09 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2k0f h LEU 28 Cb 0.72 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 2k0f h LEU 28 CO 0.15 0.13 0.28 1.23 -0.34 0.00 0.00 178.44 179.89 2k0f h GLY 29 N 0.34 0.66 0.86 3.75 0.00 -1.33 -1.49 103.07 105.87 2k0f h GLY 29 Ca 0.23 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 2k0f h GLY 29 CO -0.23 0.25 -0.34 -0.84 0.00 0.00 0.00 176.54 175.38 2k0f h THR 30 N 0.63 1.35 -0.62 4.70 2.02 -0.52 -0.58 112.91 119.88 2k0f h THR 30 Ca 0.17 -1.58 -0.02 0.00 0.77 0.00 0.00 66.41 65.75 2k0f h THR 30 Cb -0.03 1.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 2k0f h THR 30 CO -0.03 0.48 0.31 0.58 0.37 0.00 0.00 175.52 177.23 2k0f h VAL 31 N 0.18 1.21 -0.34 3.16 2.07 -0.89 0.13 116.25 121.76 2k0f h VAL 31 Ca 0.01 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 67.01 2k0f h VAL 31 Cb 0.93 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 2k0f h VAL 31 CO 0.08 0.24 -0.47 0.24 0.02 0.00 0.00 177.57 177.68 2k0f h MET 32 N 0.85 -0.38 -0.51 1.57 2.86 -1.26 -2.62 114.93 115.43 2k0f h MET 32 Ca 0.21 0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 2k0f h MET 32 Cb 0.09 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2k0f h MET 32 CO -0.03 -0.25 0.12 0.00 1.06 0.00 0.00 176.91 177.81 2k0f h ARG 33 N -0.39 0.79 -0.20 1.72 3.08 -0.20 0.11 114.38 119.29 2k0f h ARG 33 Ca 0.11 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 60.02 2k0f h ARG 33 Cb 0.60 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2k0f h ARG 33 CO -0.54 0.71 0.08 1.03 -1.07 0.00 0.00 179.97 180.18 2k0f h SER 34 N 0.76 0.10 0.20 7.04 0.87 -0.81 -3.35 113.55 118.35 2k0f h SER 34 Ca 0.17 0.02 -0.29 0.00 -1.23 0.00 0.00 61.79 60.45 2k0f h SER 34 Cb 0.29 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.27 2k0f h SER 34 CO -0.00 0.09 -1.36 -0.07 -0.53 0.00 0.00 176.83 174.96 2k0f h LEU 35 N 0.18 0.66 0.00 2.23 3.38 -1.29 -3.48 115.31 116.99 2k0f h LEU 35 Ca 0.08 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.13 2k0f h LEU 35 Cb 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2k0f h LEU 35 CO -0.08 1.64 0.00 0.61 0.09 0.00 0.00 178.44 180.70 2k0f n GLY 36 N 1.74 0.00 3.23 0.83 0.00 0.24 -4.83 105.19 106.40 2k0f n GLY 36 Ca -0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 0.97 -0.34 1.61 -1.52 -0.38 -4.99 119.66 115.00 2k0f s GLN 37 Ca 0.00 -1.05 -0.04 0.00 -1.95 0.00 0.00 55.36 52.32 2k0f s GLN 37 Cb 0.00 -1.10 0.06 0.00 -0.22 0.00 0.00 33.01 31.75 2k0f s GLN 37 CO 0.00 0.25 0.09 -0.80 -0.25 0.00 0.00 175.29 174.58 2k0f s ASN 38 N -1.81 5.14 0.49 5.90 0.01 -1.26 -1.70 114.94 121.70 2k0f s ASN 38 Ca 0.02 -1.42 -0.02 0.00 -0.71 0.00 0.00 52.86 50.73 2k0f s ASN 38 Cb -0.10 -1.80 -0.01 0.00 0.41 0.00 0.00 41.25 39.75 2k0f s ASN 38 CO 0.03 -0.36 0.74 -2.16 -1.51 0.00 0.00 177.10 173.84 2k0f s PRO 39 N 1.28 3.12 0.11 -0.60 0.04 -1.26 -5.06 135.00 132.63 2k0f s PRO 39 Ca -0.01 -0.25 -0.06 0.00 0.04 0.00 0.00 61.00 60.73 2k0f s PRO 39 Cb -0.21 -2.46 -0.06 0.00 0.04 0.00 0.00 34.50 31.82 2k0f s PRO 39 CO -0.01 -0.35 0.37 0.95 0.04 0.00 0.00 177.00 178.00 2k0f s THR 40 N -2.69 5.17 -0.08 1.26 -4.23 -1.26 -5.04 115.64 108.77 2k0f s THR 40 Ca 0.49 0.14 0.15 0.00 -1.18 0.00 0.00 61.69 61.29 2k0f s THR 40 Cb -0.10 -3.62 -0.18 0.00 1.34 0.00 0.00 72.50 69.93 2k0f s THR 40 CO 0.41 0.13 0.74 -1.84 -0.54 0.00 0.00 174.62 173.52 2k0f n GLU 41 N 0.39 0.63 -0.09 3.99 0.28 -1.26 -1.96 120.64 122.61 2k0f n GLU 41 Ca -0.05 0.26 -0.06 0.00 -0.16 0.00 0.00 57.16 57.16 2k0f n GLU 41 Cb 0.52 -1.80 0.13 0.00 1.43 0.00 0.00 31.44 31.72 2k0f n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k0f h ALA 42 N 1.21 1.01 0.02 -1.84 0.00 -1.98 0.13 119.26 117.80 2k0f h ALA 42 Ca -0.23 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.15 2k0f h ALA 42 Cb 1.81 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 2k0f h ALA 42 CO 0.06 0.60 -1.09 1.49 0.00 0.00 0.00 179.25 180.31 2k0f h GLU 43 N 0.70 0.04 -0.31 0.00 4.81 -1.96 -1.49 114.58 116.35 2k0f h GLU 43 Ca 0.12 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2k0f h GLU 43 Cb 0.58 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2k0f h GLU 43 CO 0.04 0.99 0.19 1.25 -0.73 0.00 0.00 179.01 180.75 2k0f h LEU 44 N 0.01 0.37 -0.96 1.64 5.85 -1.20 0.14 115.31 121.17 2k0f h LEU 44 Ca -0.05 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 2k0f h LEU 44 Cb 1.81 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 2k0f h LEU 44 CO 0.14 0.32 -0.45 -0.61 -0.34 0.00 0.00 178.44 177.49 2k0f h GLN 45 N 0.40 0.14 0.39 1.25 4.15 -0.75 -1.55 115.11 119.14 2k0f h GLN 45 Ca 0.11 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 2k0f h GLN 45 Cb 0.01 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.70 2k0f h GLN 45 CO -0.02 0.57 -0.22 0.22 -1.93 0.00 0.00 178.83 177.45 2k0f h ASP 46 N 0.12 -0.55 0.95 -0.69 3.58 -0.99 -2.00 116.42 116.84 2k0f h ASP 46 Ca 0.01 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.44 2k0f h ASP 46 Cb 0.85 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 2k0f h ASP 46 CO 0.07 -0.36 -0.22 0.00 -2.88 0.00 0.00 179.24 175.84 2k0f h MET 47 N -0.58 0.00 -0.19 0.28 -0.00 0.14 -2.58 114.93 111.99 2k0f h MET 47 Ca -0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.57 2k0f h MET 47 Cb 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.07 2k0f h MET 47 CO 0.05 0.22 -0.20 0.82 -0.00 0.00 0.00 176.91 177.80 2k0f h ILE 48 N 0.00 1.33 -0.48 -0.10 2.04 -1.27 -3.27 117.51 115.77 2k0f h ILE 48 Ca -0.00 -1.37 0.14 0.00 1.00 0.00 0.00 64.86 64.62 2k0f h ILE 48 Cb 0.75 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 2k0f h ILE 48 CO 0.03 0.42 0.35 -1.13 0.00 0.00 0.00 178.15 177.82 2k0f h ASN 49 N 0.15 0.00 0.18 1.72 -1.24 -0.95 0.18 115.58 115.62 2k0f h ASN 49 Ca 0.03 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.05 2k0f h ASN 49 Cb 0.75 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.78 2k0f h ASN 49 CO 0.05 0.00 -0.21 -0.33 -1.29 0.00 0.00 177.43 175.65 2k0f h GLU 50 N 0.00 -0.43 0.00 6.67 5.08 -1.58 -3.32 114.58 121.00 2k0f h GLU 50 Ca 0.23 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2k0f h GLU 50 Cb 0.92 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2k0f h GLU 50 CO -0.00 -0.29 -0.51 1.33 -1.00 0.00 0.00 179.01 178.54 2k0f n VAL 51 N -5.34 0.25 -1.73 3.13 0.24 0.50 -4.94 118.33 110.44 2k0f n VAL 51 Ca -0.08 -0.18 -0.41 0.00 -2.04 0.00 0.00 64.34 61.63 2k0f n VAL 51 Cb 0.25 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k0f n ASP 52 N -1.91 3.04 0.05 -1.34 -0.08 -0.35 -4.55 116.55 111.41 2k0f n ASP 52 Ca 0.04 1.18 0.05 0.00 -1.51 0.00 0.00 54.79 54.55 2k0f n ASP 52 Cb 0.40 -1.54 -0.07 0.00 2.34 0.00 0.00 41.12 42.26 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k0f n ALA 53 N 0.14 2.26 -0.08 -1.67 0.00 -1.26 -4.30 120.51 115.60 2k0f n ALA 53 Ca 0.04 -0.47 -0.23 0.00 0.00 0.00 0.00 53.44 52.79 2k0f n ALA 53 Cb 0.38 -0.94 -0.12 0.00 0.00 0.00 0.00 19.45 18.77 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k0f n ASP 54 N -2.71 1.97 -0.02 0.00 9.92 -1.26 -5.00 116.55 119.46 2k0f n ASP 54 Ca -0.07 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 2k0f n ASP 54 Cb 0.71 -0.85 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k0f n GLY 55 N 1.67 1.45 0.14 0.44 0.00 -1.26 -5.02 105.19 102.61 2k0f n GLY 55 Ca -0.37 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.55 2.08 0.00 1.61 6.94 -1.26 -5.01 115.26 120.18 2k0f n ASN 56 Ca 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.66 2k0f n ASN 56 Cb 0.14 -0.72 0.00 0.00 -2.36 0.00 0.00 39.78 36.84 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 57 N 2.08 1.05 3.18 4.83 0.00 -1.26 -5.01 105.19 110.06 2k0f n GLY 57 Ca -0.36 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 1.65 -0.36 2.61 -4.23 -1.26 -4.71 115.64 107.34 2k0f s THR 58 Ca 0.00 -0.84 -0.29 0.00 -1.18 0.00 0.00 61.69 59.38 2k0f s THR 58 Cb 0.00 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.43 2k0f s THR 58 CO 0.00 0.47 1.38 -0.51 -0.54 0.00 0.00 174.62 175.42 2k0f s ILE 59 N 0.01 3.97 0.52 2.99 2.07 -1.12 -4.92 121.20 124.73 2k0f s ILE 59 Ca -0.05 1.04 0.08 0.00 -1.41 0.00 0.00 60.65 60.30 2k0f s ILE 59 Cb -0.13 -4.16 0.04 0.00 0.13 0.00 0.00 42.46 38.34 2k0f s ILE 59 CO 0.03 -0.64 0.56 -1.81 -1.91 0.00 0.00 174.94 171.17 2k0f s ASP 60 N 3.56 4.96 0.11 4.50 1.01 -1.26 -2.53 116.67 127.01 2k0f s ASP 60 Ca 0.60 -0.94 -0.31 0.00 0.71 0.00 0.00 52.55 52.60 2k0f s ASP 60 Cb -0.15 0.11 -0.11 0.00 1.01 0.00 0.00 42.92 43.77 2k0f s ASP 60 CO 0.29 -1.08 1.59 0.15 0.21 0.00 0.00 175.17 176.33 2k0f h PHE 61 N 0.58 -1.15 0.00 4.23 3.57 -1.96 -0.78 116.94 121.43 2k0f h PHE 61 Ca -0.35 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.17 2k0f h PHE 61 Cb 1.29 0.48 0.00 0.00 2.79 0.00 0.00 35.95 40.51 2k0f h PHE 61 CO 0.65 -0.53 0.00 -0.35 -2.23 0.00 0.00 178.31 175.85 2k0f n PRO 62 N -5.47 0.24 -0.09 6.41 -0.04 -1.26 -2.08 135.00 132.70 2k0f n PRO 62 Ca -0.08 0.12 -0.17 0.00 -0.04 0.00 0.00 63.50 63.33 2k0f n PRO 62 Cb 0.38 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.26 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k0f n GLU 63 N -1.19 0.53 -0.32 0.54 1.02 -0.37 -2.17 120.64 118.68 2k0f n GLU 63 Ca 0.07 0.55 -0.04 0.00 -0.02 0.00 0.00 57.16 57.72 2k0f n GLU 63 Cb 0.08 -1.72 0.01 0.00 -0.02 0.00 0.00 31.44 29.79 2k0f n GLU 63 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 64 N -1.00 -1.14 -0.59 -0.32 3.57 -1.32 0.56 116.94 116.70 2k0f h PHE 64 Ca -0.25 0.10 0.09 0.00 3.53 0.00 0.00 57.97 61.44 2k0f h PHE 64 Cb 1.06 0.62 -0.11 0.00 2.79 0.00 0.00 35.95 40.31 2k0f h PHE 64 CO -0.01 -0.40 -0.43 1.25 -2.23 0.00 0.00 178.31 176.48 2k0f h LEU 65 N -0.07 -1.49 -0.77 0.59 5.85 -1.56 0.14 115.31 118.00 2k0f h LEU 65 Ca 0.28 0.25 0.03 0.00 0.84 0.00 0.00 57.88 59.28 2k0f h LEU 65 Cb 0.57 0.68 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 2k0f h LEU 65 CO -0.87 -0.33 0.49 0.74 -0.34 0.00 0.00 178.44 178.13 2k0f h THR 66 N -0.22 1.11 -0.27 1.05 2.02 -0.78 0.72 112.91 116.55 2k0f h THR 66 Ca 0.18 -0.32 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 2k0f h THR 66 Cb 0.56 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2k0f h THR 66 CO -0.70 0.17 -0.47 -0.03 0.37 0.00 0.00 175.52 174.86 2k0f h MET 67 N 0.94 0.71 0.07 6.66 1.85 -0.47 -2.37 114.93 122.33 2k0f h MET 67 Ca 0.31 -0.41 -0.29 0.00 -0.61 0.00 0.00 59.70 58.70 2k0f h MET 67 Cb 0.03 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.06 2k0f h MET 67 CO -0.12 1.03 -1.51 0.52 -0.40 0.00 0.00 176.91 176.43 2k0f h MET 68 N 0.56 0.15 -0.09 0.39 2.07 -0.59 -3.33 114.93 114.09 2k0f h MET 68 Ca 0.03 -0.26 0.00 0.00 -2.07 0.00 0.00 59.70 57.41 2k0f h MET 68 Cb 1.03 0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.85 2k0f h MET 68 CO 0.10 0.96 0.00 0.00 1.07 0.00 0.00 176.91 179.03 2k0f n ALA 69 N -2.61 2.55 -1.84 6.32 0.00 0.23 -4.83 120.51 120.34 2k0f n ALA 69 Ca -0.15 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 2k0f n ALA 69 Cb 1.03 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -1.89 4.18 -0.12 0.00 3.52 -0.89 -5.02 118.95 118.74 2k0f s ARG 70 Ca 0.35 2.45 -0.21 0.00 -0.13 0.00 0.00 55.73 58.19 2k0f s ARG 70 Cb 0.19 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 2k0f s ARG 70 CO 0.29 -0.60 0.60 0.21 -0.81 0.00 0.00 175.30 174.99 2k0f s LYS 71 N 0.39 4.35 0.42 5.12 2.47 -1.26 -5.02 119.74 126.21 2k0f s LYS 71 Ca 0.67 0.66 0.07 0.00 -1.56 0.00 0.00 55.97 55.81 2k0f s LYS 71 Cb -0.46 -3.48 -0.03 0.00 -1.46 0.00 0.00 37.83 32.41 2k0f s LYS 71 CO 0.38 0.02 0.32 -1.64 0.16 0.00 0.00 175.35 174.60 2k0f s MET 72 N 1.01 2.43 0.69 4.03 -1.94 -1.26 -5.13 119.30 119.14 2k0f s MET 72 Ca 0.31 -1.64 -0.07 0.00 -1.71 0.00 0.00 55.69 52.58 2k0f s MET 72 Cb -0.16 -2.25 0.05 0.00 2.01 0.00 0.00 34.83 34.48 2k0f s MET 72 CO 0.13 -0.18 1.01 0.15 -0.01 0.00 0.00 175.02 176.12 2k0f s LYS 73 N -4.07 2.33 0.20 2.03 1.02 -1.26 -4.76 119.74 115.23 2k0f s LYS 73 Ca 0.46 -0.15 -0.12 0.00 0.02 0.00 0.00 55.97 56.17 2k0f s LYS 73 Cb -0.01 -2.16 0.23 0.00 -0.52 0.00 0.00 37.83 35.37 2k0f s LYS 73 CO 0.26 -1.17 1.71 0.22 -0.92 0.00 0.00 175.35 175.45 2k0f h ASP 74 N -0.56 -0.02 0.06 2.83 3.58 -2.00 0.18 116.42 120.49 2k0f h ASP 74 Ca -0.45 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 2k0f h ASP 74 Cb 1.30 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.50 2k0f h ASP 74 CO 0.61 0.01 -0.03 0.71 -2.88 0.00 0.00 179.24 177.66 2k0f h THR 75 N 0.24 1.04 -0.52 2.25 1.35 -2.00 -1.95 112.91 113.33 2k0f h THR 75 Ca 0.28 -0.35 -0.07 0.00 -0.55 0.00 0.00 66.41 65.72 2k0f h THR 75 Cb 0.39 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.06 2k0f h THR 75 CO -0.36 0.09 0.05 0.44 -0.25 0.00 0.00 175.52 175.48 2k0f h ASP 76 N -0.23 0.86 -0.51 5.36 3.32 -1.92 -2.09 116.42 121.21 2k0f h ASP 76 Ca -0.01 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 2k0f h ASP 76 Cb 0.20 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2k0f h ASP 76 CO 0.01 0.93 0.17 0.28 -1.72 0.00 0.00 179.24 178.92 2k0f h SER 77 N 0.77 0.73 -0.19 6.45 0.02 -0.67 -1.60 113.55 119.05 2k0f h SER 77 Ca 0.15 -0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2k0f h SER 77 Cb 0.46 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2k0f h SER 77 CO 0.02 0.73 -0.08 -0.08 -1.14 0.00 0.00 176.83 176.27 2k0f h GLU 78 N 0.69 0.40 -0.75 3.45 4.57 -1.17 -2.48 114.58 119.28 2k0f h GLU 78 Ca 0.17 -0.17 0.10 0.00 -1.18 0.00 0.00 59.36 58.28 2k0f h GLU 78 Cb 0.25 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.78 2k0f h GLU 78 CO -0.01 0.68 0.49 1.49 -1.18 0.00 0.00 179.01 180.49 2k0f h GLU 79 N 0.09 0.63 -0.45 1.92 4.57 -1.35 0.78 114.58 120.78 2k0f h GLU 79 Ca 0.04 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2k0f h GLU 79 Cb 0.56 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 2k0f h GLU 79 CO 0.03 0.41 0.12 1.49 -1.18 0.00 0.00 179.01 179.88 2k0f h GLU 80 N 0.65 0.71 -0.03 1.92 4.81 -1.24 0.31 114.58 121.71 2k0f h GLU 80 Ca 0.35 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 80 Cb 0.48 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2k0f h GLU 80 CO -0.12 0.70 -0.74 0.82 -0.73 0.00 0.00 179.01 178.94 2k0f h ILE 81 N 0.59 1.46 -0.29 2.32 1.08 -0.89 -1.28 117.51 120.49 2k0f h ILE 81 Ca 0.14 -2.34 -0.03 0.00 -0.39 0.00 0.00 64.86 62.25 2k0f h ILE 81 Cb 0.30 2.26 -0.01 0.00 -3.07 0.00 0.00 36.82 36.29 2k0f h ILE 81 CO -0.00 0.68 0.07 0.03 -0.69 0.00 0.00 178.15 178.24 2k0f h ARG 82 N 0.11 0.46 -0.37 2.37 3.08 0.73 -1.85 114.38 118.92 2k0f h ARG 82 Ca -0.02 -0.11 0.07 0.00 0.07 0.00 0.00 59.98 59.99 2k0f h ARG 82 Cb 1.30 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.23 2k0f h ARG 82 CO 0.11 0.54 -0.04 0.93 -1.07 0.00 0.00 179.97 180.44 2k0f h GLU 83 N 0.30 0.05 -0.90 0.04 4.39 -0.93 0.14 114.58 117.67 2k0f h GLU 83 Ca 0.09 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.87 2k0f h GLU 83 Cb 0.29 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.86 2k0f h GLU 83 CO 0.00 0.03 0.55 0.00 -1.16 0.00 0.00 179.01 178.44 2k0f h ALA 84 N 1.34 1.28 -0.24 3.43 0.00 -1.18 -1.05 119.26 122.84 2k0f h ALA 84 Ca 0.18 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2k0f h ALA 84 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2k0f h ALA 84 CO -0.33 0.24 -0.13 0.35 0.00 0.00 0.00 179.25 179.38 2k0f h PHE 85 N 0.96 0.59 -0.40 0.00 3.57 -0.96 -2.87 116.94 117.83 2k0f h PHE 85 Ca 0.42 -0.15 0.11 0.00 3.53 0.00 0.00 57.97 61.88 2k0f h PHE 85 Cb 0.29 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2k0f h PHE 85 CO -0.03 0.78 0.38 -0.09 -2.23 0.00 0.00 178.31 177.12 2k0f h ARG 86 N 0.23 0.00 0.00 1.11 2.43 -0.28 0.11 114.38 117.98 2k0f h ARG 86 Ca 0.05 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2k0f h ARG 86 Cb 0.63 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2k0f h ARG 86 CO 0.04 0.00 -0.11 0.28 -1.51 0.00 0.00 179.97 178.67 2k0f h VAL 87 N 0.00 0.77 0.00 0.20 2.07 -0.96 -3.22 116.25 115.11 2k0f h VAL 87 Ca 0.19 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 2k0f h VAL 87 Cb 0.94 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2k0f h VAL 87 CO -0.00 0.11 -0.41 -0.26 0.02 0.00 0.00 177.57 177.02 2k0f h PHE 88 N 0.00 0.00 -2.05 1.57 0.04 -1.00 -3.45 116.94 112.05 2k0f h PHE 88 Ca -0.00 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.12 2k0f h PHE 88 Cb 0.24 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.24 2k0f h PHE 88 CO 0.00 0.65 1.00 0.34 -0.60 0.00 0.00 178.31 179.70 2k0f s ASP 89 N -6.10 6.51 0.03 2.17 2.15 0.04 -4.75 116.67 116.73 2k0f s ASP 89 Ca -0.16 -1.66 -0.07 0.00 0.43 0.00 0.00 52.55 51.10 2k0f s ASP 89 Cb 0.01 -2.46 -0.30 0.00 -0.30 0.00 0.00 42.92 39.87 2k0f s ASP 89 CO 0.39 -1.28 0.98 0.11 -0.17 0.00 0.00 175.17 175.20 2k0f h LYS 90 N 9.27 0.33 0.00 4.34 1.79 -1.87 -3.41 116.57 127.03 2k0f h LYS 90 Ca 0.09 -0.57 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2k0f h LYS 90 Cb 1.03 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2k0f h LYS 90 CO 1.22 1.24 0.00 -0.40 -1.08 0.00 0.00 179.45 180.43 2k0f n ASP 91 N -3.55 0.00 0.00 0.86 5.68 -1.26 -5.03 116.55 113.25 2k0f n ASP 91 Ca -0.14 0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 2k0f n ASP 91 Cb 1.05 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.03 2k0f n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 92 N 0.09 -0.01 0.16 6.12 0.00 -1.26 -5.02 105.19 105.26 2k0f n GLY 92 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.54 -0.09 1.61 -1.07 -1.96 -3.48 115.58 111.14 2k0f h ASN 93 Ca 0.00 -0.43 0.00 0.00 0.07 0.00 0.00 56.30 55.94 2k0f h ASN 93 Cb 0.00 -0.16 0.00 0.00 -2.07 0.00 0.00 38.32 36.09 2k0f h ASN 93 CO 0.00 1.23 0.00 0.61 0.07 0.00 0.00 177.43 179.34 2k0f n GLY 94 N 0.95 1.32 2.65 9.14 0.00 -1.26 -5.07 105.19 112.92 2k0f n GLY 94 Ca -0.07 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.09 0.24 -0.04 1.61 2.02 -1.26 -3.49 117.35 114.33 2k0f s TYR 95 Ca 0.00 -0.15 -0.30 0.00 -0.37 0.00 0.00 57.07 56.25 2k0f s TYR 95 Cb 0.00 -0.65 -0.07 0.00 -0.40 0.00 0.00 41.96 40.84 2k0f s TYR 95 CO 0.00 -0.40 1.82 0.42 -1.57 0.00 0.00 175.55 175.82 2k0f s ILE 96 N 2.12 3.32 0.30 2.71 1.01 0.47 -4.83 121.20 126.29 2k0f s ILE 96 Ca 0.03 0.38 0.07 0.00 0.00 0.00 0.00 60.65 61.13 2k0f s ILE 96 Cb -0.15 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 2k0f s ILE 96 CO -0.07 -0.06 0.28 -0.94 0.00 0.00 0.00 174.94 174.15 2k0f s SER 97 N 4.26 5.48 0.47 3.58 1.04 -1.26 -1.75 113.70 125.52 2k0f s SER 97 Ca 0.82 -0.35 0.13 0.00 0.48 0.00 0.00 55.95 57.02 2k0f s SER 97 Cb -0.36 -1.19 1.07 0.00 0.10 0.00 0.00 66.02 65.64 2k0f s SER 97 CO 0.35 -0.23 2.07 0.00 0.98 0.00 0.00 173.24 176.41 2k0f h ALA 98 N 1.30 1.82 -0.48 5.32 0.00 -1.96 -1.53 119.26 123.73 2k0f h ALA 98 Ca -0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2k0f h ALA 98 Cb 1.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2k0f h ALA 98 CO 0.59 0.14 0.26 0.00 0.00 0.00 0.00 179.25 180.24 2k0f h ALA 99 N 1.87 0.61 -0.40 0.00 0.00 -1.97 0.21 119.26 119.57 2k0f h ALA 99 Ca 0.03 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2k0f h ALA 99 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k0f h ALA 99 CO 0.00 0.13 -0.32 0.93 0.00 0.00 0.00 179.25 179.99 2k0f h GLU 100 N 0.63 0.93 0.45 0.00 5.08 -1.72 -0.85 114.58 119.10 2k0f h GLU 100 Ca 0.17 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 2k0f h GLU 100 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2k0f h GLU 100 CO -0.03 1.12 -0.22 1.25 -1.00 0.00 0.00 179.01 180.14 2k0f h LEU 101 N 0.76 -0.51 -1.01 1.33 5.85 -1.20 0.13 115.31 120.66 2k0f h LEU 101 Ca 0.07 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.91 2k0f h LEU 101 Cb 0.91 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.98 2k0f h LEU 101 CO 0.08 -0.30 0.63 0.03 -0.34 0.00 0.00 178.44 178.54 2k0f h ARG 102 N -0.68 0.89 -0.54 1.25 3.08 -0.60 -0.29 114.38 117.49 2k0f h ARG 102 Ca -0.06 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 2k0f h ARG 102 Cb 0.50 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2k0f h ARG 102 CO 0.10 0.59 0.02 1.25 -1.07 0.00 0.00 179.97 180.86 2k0f h HIS 103 N 0.92 0.98 -0.57 3.04 2.76 -0.74 0.86 115.15 122.38 2k0f h HIS 103 Ca 0.53 -0.14 -0.06 0.00 -2.20 0.00 0.00 60.37 58.50 2k0f h HIS 103 Cb 0.63 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 2k0f h HIS 103 CO -0.00 0.87 0.13 0.28 -1.30 0.00 0.00 177.93 177.90 2k0f h VAL 104 N 0.85 1.25 -0.47 5.26 2.07 -0.30 -2.31 116.25 122.60 2k0f h VAL 104 Ca 0.16 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 2k0f h VAL 104 Cb 0.47 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2k0f h VAL 104 CO 0.02 0.34 0.21 0.24 0.02 0.00 0.00 177.57 178.40 2k0f h MET 105 N 0.83 0.68 -0.98 1.57 2.07 -0.55 0.25 114.93 118.80 2k0f h MET 105 Ca 0.18 -0.11 0.02 0.00 -2.07 0.00 0.00 59.70 57.72 2k0f h MET 105 Cb 0.37 -0.12 -0.05 0.00 -1.87 0.00 0.00 31.60 29.93 2k0f h MET 105 CO 0.00 0.60 0.65 1.15 1.07 0.00 0.00 176.91 180.38 2k0f h THR 106 N 0.61 1.22 -0.03 2.22 2.02 -0.86 0.20 112.91 118.29 2k0f h THR 106 Ca 0.16 -0.45 -0.13 0.00 0.77 0.00 0.00 66.41 66.76 2k0f h THR 106 Cb 0.15 -0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.36 2k0f h THR 106 CO -0.02 0.24 -0.57 0.78 0.37 0.00 0.00 175.52 176.32 2k0f h ASN 107 N 1.30 0.11 -0.04 4.18 2.35 -0.93 -3.34 115.58 119.21 2k0f h ASN 107 Ca 0.37 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.97 2k0f h ASN 107 Cb -0.10 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2k0f h ASN 107 CO -0.09 0.66 -0.31 0.25 -1.65 0.00 0.00 177.43 176.29 2k0f h LEU 108 N 0.08 0.35 -0.57 1.61 5.85 -0.12 -3.47 115.31 119.03 2k0f h LEU 108 Ca -0.00 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 58.03 2k0f h LEU 108 Cb 1.04 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2k0f h LEU 108 CO 0.08 0.98 0.00 0.61 -0.34 0.00 0.00 178.44 179.77 2k0f n GLY 109 N 0.80 0.96 3.91 3.75 0.00 0.68 -4.80 105.19 110.49 2k0f n GLY 109 Ca -0.09 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N -2.75 3.46 -0.43 1.61 2.56 -1.16 -5.03 118.70 116.96 2k0f s GLU 110 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.97 54.63 2k0f s GLU 110 Cb 0.00 -3.06 0.12 0.00 2.00 0.00 0.00 34.13 33.18 2k0f s GLU 110 CO 0.00 0.64 0.21 0.15 -0.56 0.00 0.00 175.26 175.70 2k0f s LYS 111 N -2.16 1.99 -0.08 4.30 1.02 -1.26 -4.56 119.74 119.00 2k0f s LYS 111 Ca 0.31 -1.97 0.04 0.00 0.02 0.00 0.00 55.97 54.36 2k0f s LYS 111 Cb -0.13 -3.53 -0.01 0.00 -0.52 0.00 0.00 37.83 33.64 2k0f s LYS 111 CO 0.22 -1.07 -0.21 -0.51 -0.92 0.00 0.00 175.35 172.86 2k0f s LEU 112 N 0.85 2.30 0.00 3.17 1.02 -1.26 -5.12 118.68 119.64 2k0f s LEU 112 Ca 0.10 -0.44 -0.05 0.00 0.02 0.00 0.00 54.13 53.77 2k0f s LEU 112 Cb -0.22 -1.45 0.17 0.00 0.02 0.00 0.00 46.19 44.71 2k0f s LEU 112 CO -0.05 0.23 1.11 0.35 0.02 0.00 0.00 176.35 178.02 2k0f n THR 113 N 3.05 0.00 -0.11 5.49 -2.24 -1.26 -4.93 114.28 114.29 2k0f n THR 113 Ca -0.18 -1.42 -0.13 0.00 -2.27 0.00 0.00 64.05 60.05 2k0f n THR 113 Cb 0.52 -1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 67.66 2k0f n THR 113 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 114 N -0.94 0.90 0.60 3.42 3.32 -2.00 -2.98 116.42 118.74 2k0f h ASP 114 Ca -0.36 -0.47 -0.06 0.00 0.02 0.00 0.00 57.03 56.15 2k0f h ASP 114 Cb 1.23 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2k0f h ASP 114 CO 0.35 1.19 -0.31 1.05 -1.72 0.00 0.00 179.24 179.80 2k0f h GLU 115 N 0.63 0.00 0.19 3.56 4.11 -1.99 -2.43 114.58 118.64 2k0f h GLU 115 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.47 2k0f h GLU 115 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2k0f h GLU 115 CO 0.09 0.31 -0.09 0.93 0.07 0.00 0.00 179.01 180.31 2k0f h GLU 116 N 0.00 -0.24 -0.72 1.06 5.08 -1.90 -1.71 114.58 116.15 2k0f h GLU 116 Ca -0.00 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.53 2k0f h GLU 116 Cb 0.69 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.88 2k0f h GLU 116 CO 0.04 0.05 0.12 0.28 -1.00 0.00 0.00 179.01 178.50 2k0f h VAL 117 N -0.53 0.48 0.50 3.13 2.07 -1.46 -0.30 116.25 120.15 2k0f h VAL 117 Ca -0.03 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2k0f h VAL 117 Cb 0.40 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2k0f h VAL 117 CO 0.04 0.04 -0.24 -0.78 0.02 0.00 0.00 177.57 176.65 2k0f h ASP 118 N 0.21 -0.57 -0.26 0.57 1.82 -1.41 -1.78 116.42 115.01 2k0f h ASP 118 Ca 0.40 -0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.93 2k0f h ASP 118 Cb 0.69 0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.83 2k0f h ASP 118 CO -0.54 -0.36 -0.16 -0.08 -1.61 0.00 0.00 179.24 176.50 2k0f h GLU 119 N -0.73 0.69 -0.30 0.28 4.81 -0.86 -1.92 114.58 116.54 2k0f h GLU 119 Ca -0.07 -0.24 0.02 0.00 -0.13 0.00 0.00 59.36 58.95 2k0f h GLU 119 Cb 0.54 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2k0f h GLU 119 CO 0.11 0.81 0.14 1.98 -0.73 0.00 0.00 179.01 181.32 2k0f h MET 120 N 0.62 0.28 -0.17 1.92 4.05 -1.13 -0.25 114.93 120.26 2k0f h MET 120 Ca 0.10 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.43 2k0f h MET 120 Cb 0.62 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.35 2k0f h MET 120 CO 0.04 0.19 -0.17 0.82 0.23 0.00 0.00 176.91 178.02 2k0f h ILE 121 N 0.29 1.34 -1.00 1.77 1.08 -0.97 -2.80 117.51 117.21 2k0f h ILE 121 Ca 0.13 -1.33 0.20 0.00 -0.39 0.00 0.00 64.86 63.47 2k0f h ILE 121 Cb 0.06 1.82 -0.11 0.00 -3.07 0.00 0.00 36.82 35.53 2k0f h ILE 121 CO -0.10 0.40 0.61 0.03 -0.69 0.00 0.00 178.15 178.40 2k0f h ARG 122 N 0.06 0.71 -0.79 2.37 3.08 -1.10 0.13 114.38 118.84 2k0f h ARG 122 Ca 0.03 -0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.19 2k0f h ARG 122 Cb 0.70 -0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.49 2k0f h ARG 122 CO 0.04 0.47 0.33 1.49 -1.07 0.00 0.00 179.97 181.23 2k0f h GLU 123 N 0.73 0.45 0.05 0.04 4.81 -0.96 -3.32 114.58 116.38 2k0f h GLU 123 Ca 0.58 -0.03 -0.36 0.00 -0.13 0.00 0.00 59.36 59.43 2k0f h GLU 123 Cb 0.95 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.18 2k0f h GLU 123 CO -0.38 0.29 -2.11 0.00 -0.73 0.00 0.00 179.01 176.08 2k0f n ALA 124 N -2.50 1.23 -1.93 2.92 0.00 -0.83 -4.84 120.51 114.56 2k0f n ALA 124 Ca 0.16 -0.85 -0.43 0.00 0.00 0.00 0.00 53.44 52.31 2k0f n ALA 124 Cb 0.45 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 19.37 2k0f n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0f s ASP 125 N -6.51 5.79 -0.02 0.00 2.15 0.41 -4.87 116.67 113.61 2k0f s ASP 125 Ca -0.20 1.37 -0.20 0.00 0.43 0.00 0.00 52.55 53.94 2k0f s ASP 125 Cb 0.07 -2.52 -0.29 0.00 -0.30 0.00 0.00 42.92 39.89 2k0f s ASP 125 CO 0.75 -1.78 0.99 0.40 -0.17 0.00 0.00 175.17 175.35 2k0f h ILE 126 N 6.87 1.45 0.00 4.11 2.04 -1.88 -3.43 117.51 126.67 2k0f h ILE 126 Ca -0.34 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.14 2k0f h ILE 126 Cb 1.18 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 40.20 2k0f h ILE 126 CO 1.03 0.68 0.00 -0.90 0.00 0.00 0.00 178.15 178.96 2k0f n ASP 127 N -4.11 0.00 0.00 1.72 5.68 -1.26 -5.04 116.55 113.54 2k0f n ASP 127 Ca -0.13 0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 2k0f n ASP 127 Cb 0.80 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.78 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 2.21 0.00 0.08 6.12 0.00 -1.26 -5.07 105.19 107.27 2k0f n GLY 128 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 0.40 0.00 1.61 5.68 -1.26 -4.97 116.55 118.01 2k0f n ASP 129 Ca 0.00 0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.47 2k0f n ASP 129 Cb 0.00 0.73 0.00 0.00 -1.14 0.00 0.00 41.12 40.71 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 130 N 1.53 1.47 3.45 6.12 0.00 -1.26 -5.09 105.19 111.41 2k0f n GLY 130 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N 0.00 3.48 -0.61 1.61 -0.21 -1.26 -4.73 119.66 117.93 2k0f s GLN 131 Ca 0.00 -0.61 -0.24 0.00 0.02 0.00 0.00 55.36 54.53 2k0f s GLN 131 Cb 0.00 -3.48 0.05 0.00 1.00 0.00 0.00 33.01 30.59 2k0f s GLN 131 CO 0.00 -0.32 0.99 0.08 -2.12 0.00 0.00 175.29 173.92 2k0f s VAL 132 N 1.62 4.28 1.06 1.09 1.01 -0.72 -4.83 120.40 123.91 2k0f s VAL 132 Ca 0.05 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.96 2k0f s VAL 132 Cb -0.16 -4.64 0.22 0.00 0.00 0.00 0.00 36.38 31.80 2k0f s VAL 132 CO 0.05 -1.33 1.10 0.54 0.00 0.00 0.00 175.10 175.47 2k0f s ASN 133 N 3.26 2.09 0.37 3.32 2.20 -1.26 -0.40 114.94 124.52 2k0f s ASN 133 Ca 0.28 0.97 0.05 0.00 -0.94 0.00 0.00 52.86 53.22 2k0f s ASN 133 Cb -0.14 -1.49 0.72 0.00 -2.00 0.00 0.00 41.25 38.35 2k0f s ASN 133 CO 0.16 -3.43 2.01 0.22 -2.94 0.00 0.00 177.10 173.11 2k0f h TYR 134 N -2.10 0.72 -0.56 1.54 3.20 -1.95 -1.99 116.97 115.82 2k0f h TYR 134 Ca -0.52 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.36 2k0f h TYR 134 Cb 1.32 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 2k0f h TYR 134 CO -0.47 0.43 0.30 1.49 -1.64 0.00 0.00 178.16 178.27 2k0f h GLU 135 N 0.75 0.77 -0.02 1.82 4.81 -1.94 -2.05 114.58 118.72 2k0f h GLU 135 Ca 0.24 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 2k0f h GLU 135 Cb 0.02 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2k0f h GLU 135 CO -0.06 0.58 -0.72 0.93 -0.73 0.00 0.00 179.01 179.01 2k0f h GLU 136 N 0.78 0.14 0.19 1.92 5.08 -1.73 -2.61 114.58 118.36 2k0f h GLU 136 Ca 0.20 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2k0f h GLU 136 Cb 0.04 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2k0f h GLU 136 CO -0.03 0.80 -0.09 0.35 -1.00 0.00 0.00 179.01 179.03 2k0f h PHE 137 N 0.10 -0.24 0.00 4.33 3.57 -0.90 -3.26 116.94 120.53 2k0f h PHE 137 Ca -0.02 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2k0f h PHE 137 Cb 1.27 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.09 2k0f h PHE 137 CO 0.02 0.15 -0.04 0.28 -2.23 0.00 0.00 178.31 176.49 2k0f h VAL 138 N -0.73 0.10 0.00 1.41 2.07 -1.38 -2.38 116.25 115.34 2k0f h VAL 138 Ca -0.03 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2k0f h VAL 138 Cb 0.50 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2k0f h VAL 138 CO 0.04 0.04 0.00 -0.61 0.02 0.00 0.00 177.57 177.06 2k0f h GLN 139 N 0.00 0.00 0.13 1.57 5.75 -1.51 0.78 115.11 121.83 2k0f h GLN 139 Ca -0.00 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.32 2k0f h GLN 139 Cb 0.56 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.13 2k0f h GLN 139 CO 0.01 0.00 -0.80 0.52 -2.65 0.00 0.00 178.83 175.90 2k0f h MET 140 N 0.00 0.28 -0.11 1.69 2.86 -1.48 -3.39 114.93 114.78 2k0f h MET 140 Ca 0.00 -0.48 -0.17 0.00 -2.06 0.00 0.00 59.70 56.98 2k0f h MET 140 Cb 0.70 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 2k0f h MET 140 CO 0.00 1.23 -0.65 0.52 1.06 0.00 0.00 176.91 179.07 2k0f h MET 141 N -0.40 0.42 0.00 1.72 2.86 -1.27 -3.52 114.93 114.74 2k0f h MET 141 Ca -0.14 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2k0f h MET 141 Cb 1.62 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.33 2k0f h MET 141 CO 0.14 0.93 0.00 2.41 1.06 0.00 0.00 176.91 181.45