#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 0.00 0.17 -0.78 -0.00 -2.05 0.23 114.58 112.15 2k0f h GLU 2 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.37 2k0f h GLU 2 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.73 2k0f h GLU 2 CO 0.00 0.13 -0.18 1.05 -0.00 0.00 0.00 179.01 180.01 2k0f h GLU 3 N 0.00 -0.38 -0.10 1.06 9.09 -2.07 -2.44 114.58 119.75 2k0f h GLU 3 Ca -0.00 0.03 -0.15 0.00 0.05 0.00 0.00 59.36 59.29 2k0f h GLU 3 Cb 0.41 0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.58 2k0f h GLU 3 CO 0.02 -0.25 -0.58 0.37 0.05 0.00 0.00 179.01 178.62 2k0f h GLN 4 N -0.39 0.31 0.03 1.06 4.15 -1.81 -3.31 115.11 115.16 2k0f h GLN 4 Ca 0.01 -0.20 0.01 0.00 0.77 0.00 0.00 58.65 59.23 2k0f h GLN 4 Cb 0.38 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 2k0f h GLN 4 CO -0.06 0.80 -0.08 0.82 -1.93 0.00 0.00 178.83 178.38 2k0f h ILE 5 N 0.23 0.80 -1.34 2.39 1.08 -1.01 -2.49 117.51 117.18 2k0f h ILE 5 Ca -0.00 0.00 0.42 0.00 -0.39 0.00 0.00 64.86 64.89 2k0f h ILE 5 Cb 1.08 0.80 -0.12 0.00 -3.07 0.00 0.00 36.82 35.51 2k0f h ILE 5 CO 0.09 0.00 0.88 0.00 -0.69 0.00 0.00 178.15 178.43 2k0f h ALA 6 N 0.79 2.79 -0.30 1.87 0.00 -1.53 -2.26 119.26 120.61 2k0f h ALA 6 Ca 0.02 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2k0f h ALA 6 Cb 0.18 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k0f h ALA 6 CO -0.06 -1.38 -0.47 0.93 0.00 0.00 0.00 179.25 178.28 2k0f h GLU 7 N 0.10 0.79 -0.06 0.00 5.08 -1.53 -1.57 114.58 117.40 2k0f h GLU 7 Ca 0.80 -0.46 -0.18 0.00 -1.00 0.00 0.00 59.36 58.52 2k0f h GLU 7 Cb 2.54 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.82 2k0f h GLU 7 CO -0.36 1.09 -0.73 0.74 -1.00 0.00 0.00 179.01 178.75 2k0f h PHE 8 N 0.63 0.45 -0.20 4.33 0.04 -1.51 -3.20 116.94 117.48 2k0f h PHE 8 Ca 0.03 -0.20 -0.03 0.00 2.80 0.00 0.00 57.97 60.57 2k0f h PHE 8 Cb 1.04 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 2k0f h PHE 8 CO 0.06 0.95 -0.00 -0.22 -0.60 0.00 0.00 178.31 178.50 2k0f h LYS 9 N 0.23 0.35 0.00 1.51 3.64 -1.26 -0.39 116.57 120.64 2k0f h LYS 9 Ca -0.03 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2k0f h LYS 9 Cb 1.30 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2k0f h LYS 9 CO 0.12 0.55 0.00 1.49 -2.27 0.00 0.00 179.45 179.34 2k0f h GLU 10 N 0.11 0.00 -0.08 1.90 4.81 -1.45 -1.14 114.58 118.73 2k0f h GLU 10 Ca 0.06 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 10 Cb 0.39 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.78 2k0f h GLU 10 CO 0.01 0.00 -0.38 0.00 -0.73 0.00 0.00 179.01 177.91 2k0f h ALA 11 N 2.05 0.15 0.00 2.92 0.00 -1.43 -2.98 119.26 119.97 2k0f h ALA 11 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2k0f h ALA 11 Cb 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k0f h ALA 11 CO 0.00 0.25 -0.03 0.35 0.00 0.00 0.00 179.25 179.83 2k0f h PHE 12 N -0.07 0.00 -0.50 0.00 3.57 -0.98 -3.24 116.94 115.72 2k0f h PHE 12 Ca -0.03 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.35 2k0f h PHE 12 Cb 1.03 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 2k0f h PHE 12 CO 0.12 0.03 -0.17 1.03 -2.23 0.00 0.00 178.31 177.09 2k0f h SER 13 N 0.00 1.01 0.59 0.41 0.87 -1.10 -3.19 113.55 112.15 2k0f h SER 13 Ca -0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2k0f h SER 13 Cb 0.05 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 2k0f h SER 13 CO 0.00 1.16 0.00 -0.07 -0.53 0.00 0.00 176.83 177.39 2k0f h LEU 14 N 0.86 0.00 0.00 2.23 3.38 -1.55 -1.77 115.31 118.46 2k0f h LEU 14 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2k0f h LEU 14 Cb 0.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2k0f h LEU 14 CO 0.06 0.00 -0.42 -0.26 0.09 0.00 0.00 178.44 177.91 2k0f h PHE 15 N 0.00 0.00 -3.62 1.13 0.04 -1.70 -3.42 116.94 109.37 2k0f h PHE 15 Ca 0.00 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.16 2k0f h PHE 15 Cb 0.29 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.33 2k0f h PHE 15 CO 0.00 0.05 0.46 0.34 -0.60 0.00 0.00 178.31 178.56 2k0f s ASP 16 N -5.92 6.48 0.28 2.17 -1.08 -0.67 -4.46 116.67 113.47 2k0f s ASP 16 Ca 0.04 0.08 0.09 0.00 -0.52 0.00 0.00 52.55 52.24 2k0f s ASP 16 Cb 0.07 -2.42 0.38 0.00 -1.46 0.00 0.00 42.92 39.50 2k0f s ASP 16 CO 0.72 -0.94 1.63 0.11 0.52 0.00 0.00 175.17 177.21 2k0f h LYS 17 N 8.93 0.06 0.01 4.34 1.79 -1.83 -3.31 116.57 126.55 2k0f h LYS 17 Ca -0.24 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2k0f h LYS 17 Cb 1.08 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2k0f h LYS 17 CO 0.98 0.62 -0.00 -0.44 -1.08 0.00 0.00 179.45 179.53 2k0f h ASP 18 N 0.05 -0.01 0.00 0.86 3.32 -1.94 -3.49 116.42 115.21 2k0f h ASP 18 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k0f h ASP 18 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2k0f h ASP 18 CO 0.08 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.23 2k0f n GLY 19 N 1.61 1.74 0.06 2.75 0.00 -1.25 -5.10 105.19 105.00 2k0f n GLY 19 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 1.45 0.00 1.61 5.68 -1.26 -5.06 116.55 118.97 2k0f n ASP 20 Ca 0.00 0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.68 2k0f n ASP 20 Cb 0.00 -0.73 0.00 0.00 -1.14 0.00 0.00 41.12 39.25 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 1.55 -2.24 3.71 6.12 0.00 -1.26 -5.14 105.19 107.94 2k0f n GLY 21 Ca -0.08 0.74 -0.40 0.00 0.00 0.00 0.00 46.02 46.27 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -0.65 5.00 -0.27 2.61 -4.23 -1.26 -5.02 115.64 111.83 2k0f s THR 22 Ca 0.00 1.53 0.02 0.00 -1.18 0.00 0.00 61.69 62.07 2k0f s THR 22 Cb 0.00 -4.08 0.07 0.00 1.34 0.00 0.00 72.50 69.82 2k0f s THR 22 CO 0.00 0.20 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.59 2k0f s ILE 23 N 1.07 1.99 0.50 2.99 1.01 -1.26 -4.94 121.20 122.56 2k0f s ILE 23 Ca 0.39 -1.65 0.06 0.00 0.00 0.00 0.00 60.65 59.45 2k0f s ILE 23 Cb -0.18 -2.21 0.02 0.00 0.01 0.00 0.00 42.46 40.10 2k0f s ILE 23 CO 0.18 -0.17 0.40 0.42 0.00 0.00 0.00 174.94 175.78 2k0f s THR 24 N 1.15 2.00 0.37 2.92 -4.23 -1.26 -3.60 115.64 112.99 2k0f s THR 24 Ca -0.04 -1.44 0.07 0.00 -1.18 0.00 0.00 61.69 59.10 2k0f s THR 24 Cb -0.19 -2.44 0.30 0.00 1.34 0.00 0.00 72.50 71.51 2k0f s THR 24 CO -0.06 0.00 1.95 0.71 -0.54 0.00 0.00 174.62 176.67 2k0f h THR 25 N 0.85 0.98 0.51 3.99 1.35 -1.95 -2.33 112.91 116.31 2k0f h THR 25 Ca -0.38 -0.24 -0.01 0.00 -0.55 0.00 0.00 66.41 65.22 2k0f h THR 25 Cb 1.29 0.21 -0.02 0.00 -1.73 0.00 0.00 68.15 67.90 2k0f h THR 25 CO 0.57 0.13 -0.41 0.11 -0.25 0.00 0.00 175.52 175.67 2k0f h LYS 26 N 0.71 -0.88 -0.77 4.72 1.79 -1.97 -0.15 116.57 120.02 2k0f h LYS 26 Ca 0.33 0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.92 2k0f h LYS 26 Cb 0.36 0.20 -0.06 0.00 -1.58 0.00 0.00 32.23 31.15 2k0f h LYS 26 CO -0.12 -0.58 0.46 0.93 -1.08 0.00 0.00 179.45 179.06 2k0f h GLU 27 N -0.91 0.82 -0.16 3.15 5.08 -1.75 0.42 114.58 121.22 2k0f h GLU 27 Ca -0.06 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 27 Cb 0.78 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2k0f h GLU 27 CO -0.01 0.54 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.43 2k0f h LEU 28 N 0.84 -0.16 -0.28 1.33 3.38 -1.47 -3.26 115.31 115.69 2k0f h LEU 28 Ca 0.34 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.43 2k0f h LEU 28 Cb 0.18 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 2k0f h LEU 28 CO -0.18 -0.06 -0.26 1.23 0.09 0.00 0.00 178.44 179.27 2k0f h GLY 29 N -0.00 -0.17 0.57 0.83 0.00 -0.25 -2.70 103.07 101.34 2k0f h GLY 29 Ca 0.08 0.33 0.08 0.00 0.00 0.00 0.00 47.33 47.82 2k0f h GLY 29 CO -0.17 -0.20 0.44 -0.84 0.00 0.00 0.00 176.54 175.77 2k0f h THR 30 N -0.25 0.93 0.01 4.70 2.02 -0.99 -1.76 112.91 117.57 2k0f h THR 30 Ca 0.15 -0.26 -0.21 0.00 0.77 0.00 0.00 66.41 66.86 2k0f h THR 30 Cb 0.48 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2k0f h THR 30 CO -0.43 0.14 -0.97 1.62 0.37 0.00 0.00 175.52 176.25 2k0f h VAL 31 N 0.76 1.65 -0.76 3.16 3.04 -1.59 -2.53 116.25 119.98 2k0f h VAL 31 Ca 0.37 -3.17 -0.04 0.00 -1.01 0.00 0.00 66.70 62.85 2k0f h VAL 31 Cb 0.31 2.74 -0.03 0.00 -2.01 0.00 0.00 31.29 32.30 2k0f h VAL 31 CO -0.23 0.91 0.34 0.24 -1.01 0.00 0.00 177.57 177.82 2k0f h MET 32 N 0.02 1.12 -0.01 4.17 2.86 -1.24 -2.85 114.93 118.99 2k0f h MET 32 Ca -0.02 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 2k0f h MET 32 Cb 1.69 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 33.16 2k0f h MET 32 CO 0.13 0.89 -0.18 -0.09 1.06 0.00 0.00 176.91 178.73 2k0f h ARG 33 N 1.09 0.14 -0.60 1.72 9.65 -1.39 0.15 114.38 125.13 2k0f h ARG 33 Ca 0.26 -0.13 0.11 0.00 -1.10 0.00 0.00 59.98 59.12 2k0f h ARG 33 Cb 0.17 0.03 -0.12 0.00 -1.39 0.00 0.00 29.97 28.66 2k0f h ARG 33 CO -0.03 0.85 -0.29 0.77 2.80 0.00 0.00 179.97 184.08 2k0f h SER 34 N -0.53 -1.00 0.13 -3.80 0.02 -1.46 -3.24 113.55 103.67 2k0f h SER 34 Ca -0.02 0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2k0f h SER 34 Cb 0.91 0.53 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2k0f h SER 34 CO 0.04 -0.28 -0.06 -0.07 -1.14 0.00 0.00 176.83 175.31 2k0f h LEU 35 N -0.12 -0.15 0.00 5.07 3.38 -1.47 -3.48 115.31 118.54 2k0f h LEU 35 Ca 0.26 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2k0f h LEU 35 Cb 0.54 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2k0f h LEU 35 CO -0.68 -0.10 0.00 0.61 0.09 0.00 0.00 178.44 178.36 2k0f n GLY 36 N -0.92 -0.89 3.04 0.83 0.00 0.47 -5.11 105.19 102.61 2k0f n GLY 36 Ca -0.02 0.33 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N 0.00 0.21 -0.88 1.61 0.74 -0.75 -4.97 119.66 115.62 2k0f s GLN 37 Ca 0.00 0.11 -0.05 0.00 0.05 0.00 0.00 55.36 55.47 2k0f s GLN 37 Cb 0.00 0.10 0.22 0.00 1.10 0.00 0.00 33.01 34.43 2k0f s GLN 37 CO 0.00 -0.03 0.79 -0.80 -0.55 0.00 0.00 175.29 174.69 2k0f s ASN 38 N -0.14 6.23 0.63 6.67 0.01 -1.26 -3.64 114.94 123.43 2k0f s ASN 38 Ca -0.02 -3.42 -0.09 0.00 -0.71 0.00 0.00 52.86 48.62 2k0f s ASN 38 Cb -0.02 -2.00 -0.00 0.00 0.41 0.00 0.00 41.25 39.64 2k0f s ASN 38 CO 0.00 -0.28 0.98 -2.16 -1.51 0.00 0.00 177.10 174.13 2k0f s PRO 39 N -0.92 3.05 0.05 -0.60 0.04 -1.26 -5.08 135.00 130.27 2k0f s PRO 39 Ca 0.25 0.29 0.07 0.00 0.04 0.00 0.00 61.00 61.65 2k0f s PRO 39 Cb -0.10 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 2k0f s PRO 39 CO -0.09 -0.76 -0.21 -0.08 0.04 0.00 0.00 177.00 175.90 2k0f s THR 40 N -3.13 1.68 -0.12 1.26 -1.32 -1.26 -5.04 115.64 107.72 2k0f s THR 40 Ca 0.55 -1.24 0.22 0.00 -1.21 0.00 0.00 61.69 60.00 2k0f s THR 40 Cb -0.11 -1.47 0.22 0.00 -1.51 0.00 0.00 72.50 69.63 2k0f s THR 40 CO 0.49 0.18 1.66 -0.33 -2.21 0.00 0.00 174.62 174.40 2k0f h GLU 41 N 4.78 0.00 0.00 7.08 5.08 -1.96 -0.13 114.58 129.42 2k0f h GLU 41 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2k0f h GLU 41 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2k0f h GLU 41 CO 0.43 0.24 0.00 0.00 -1.00 0.00 0.00 179.01 178.68 2k0f n ALA 42 N -2.18 -0.20 -0.21 3.43 0.00 -1.26 -0.81 120.51 119.28 2k0f n ALA 42 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.50 2k0f n ALA 42 Cb 0.55 0.26 0.30 0.00 0.00 0.00 0.00 19.45 20.55 2k0f n ALA 42 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k0f h GLU 43 N 0.00 0.86 -0.48 0.00 5.08 -1.94 -2.29 114.58 115.81 2k0f h GLU 43 Ca 0.00 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2k0f h GLU 43 Cb 0.00 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2k0f h GLU 43 CO 0.00 0.57 -0.01 1.25 -1.00 0.00 0.00 179.01 179.82 2k0f h LEU 44 N 0.89 0.78 -0.62 1.33 5.85 -1.00 -2.49 115.31 120.04 2k0f h LEU 44 Ca 0.32 -0.19 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 2k0f h LEU 44 Cb 0.14 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2k0f h LEU 44 CO -0.10 0.85 -0.37 -0.61 -0.34 0.00 0.00 178.44 177.87 2k0f h GLN 45 N 0.75 0.67 -0.49 1.25 5.75 -0.38 -2.22 115.11 120.44 2k0f h GLN 45 Ca 0.14 -0.33 -0.08 0.00 -0.15 0.00 0.00 58.65 58.23 2k0f h GLN 45 Cb 0.47 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 2k0f h GLN 45 CO 0.02 0.94 -0.00 0.22 -2.65 0.00 0.00 178.83 177.36 2k0f h ASP 46 N 0.56 0.84 0.28 -0.69 3.58 -1.28 0.14 116.42 119.85 2k0f h ASP 46 Ca 0.05 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.19 2k0f h ASP 46 Cb 0.89 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.71 2k0f h ASP 46 CO 0.08 0.94 -0.17 0.24 -2.88 0.00 0.00 179.24 177.45 2k0f h MET 47 N 0.72 -0.42 -0.93 0.28 2.86 -1.47 -1.20 114.93 114.76 2k0f h MET 47 Ca 0.14 0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.96 2k0f h MET 47 Cb 0.51 0.10 -0.10 0.00 0.06 0.00 0.00 31.60 32.17 2k0f h MET 47 CO 0.03 -0.28 0.54 0.82 1.06 0.00 0.00 176.91 179.07 2k0f h ILE 48 N -0.44 0.77 0.00 -1.22 1.08 -1.26 -2.32 117.51 114.13 2k0f h ILE 48 Ca -0.03 -0.26 -0.08 0.00 -0.39 0.00 0.00 64.86 64.10 2k0f h ILE 48 Cb 0.37 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 2k0f h ILE 48 CO 0.03 0.14 -0.40 -1.13 -0.69 0.00 0.00 178.15 176.09 2k0f h ASN 49 N 0.76 0.00 0.53 1.72 -1.24 -0.22 0.17 115.58 117.30 2k0f h ASN 49 Ca 0.51 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 57.38 2k0f h ASN 49 Cb 0.68 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.72 2k0f h ASN 49 CO -0.34 0.40 -0.63 -0.08 -1.29 0.00 0.00 177.43 175.49 2k0f h GLU 50 N 0.00 0.09 0.00 6.67 4.81 -0.70 -3.15 114.58 122.31 2k0f h GLU 50 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 50 Cb 0.95 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.34 2k0f h GLU 50 CO 0.05 0.69 -0.61 -0.39 -0.73 0.00 0.00 179.01 178.02 2k0f h VAL 51 N 0.07 0.00 -3.11 0.32 -1.51 -0.83 -3.47 116.25 107.72 2k0f h VAL 51 Ca -0.01 -0.59 -0.53 0.00 -1.23 0.00 0.00 66.70 64.34 2k0f h VAL 51 Cb 1.13 1.21 0.01 0.00 -2.13 0.00 0.00 31.29 31.51 2k0f h VAL 51 CO 0.09 0.00 0.63 -0.62 -1.23 0.00 0.00 177.57 176.44 2k0f s ASP 52 N -4.52 6.97 -0.16 4.19 2.15 0.49 -4.79 116.67 121.00 2k0f s ASP 52 Ca 0.05 2.14 -0.12 0.00 0.43 0.00 0.00 52.55 55.06 2k0f s ASP 52 Cb 0.12 -2.58 -0.06 0.00 -0.30 0.00 0.00 42.92 40.11 2k0f s ASP 52 CO 0.72 -0.55 -0.17 0.00 -0.17 0.00 0.00 175.17 175.00 2k0f n ALA 53 N 3.98 0.58 -0.13 3.66 0.00 -1.26 -4.63 120.51 122.70 2k0f n ALA 53 Ca 0.10 -0.52 -0.11 0.00 0.00 0.00 0.00 53.44 52.91 2k0f n ALA 53 Cb 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N -1.00 0.79 0.00 0.00 3.04 -1.94 -3.48 116.42 113.83 2k0f h ASP 54 Ca -0.06 -0.38 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 2k0f h ASP 54 Cb 0.71 -0.22 0.00 0.00 -1.04 0.00 0.00 39.33 38.78 2k0f h ASP 54 CO -0.04 0.99 0.00 0.61 -2.04 0.00 0.00 179.24 178.76 2k0f n GLY 55 N -0.15 1.73 0.06 7.15 0.00 -1.26 -5.02 105.19 107.70 2k0f n GLY 55 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.65 0.00 1.61 0.23 -1.26 -4.98 115.26 111.51 2k0f n ASN 56 Ca 0.00 0.13 0.00 0.00 -0.53 0.00 0.00 54.58 54.18 2k0f n ASN 56 Cb 0.00 0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.37 0.81 3.59 4.83 0.00 -1.26 -5.05 105.19 109.48 2k0f n GLY 57 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.15 3.40 -0.28 2.61 -4.23 -1.26 -4.82 115.64 107.91 2k0f s THR 58 Ca 0.00 -1.32 -0.27 0.00 -1.18 0.00 0.00 61.69 58.92 2k0f s THR 58 Cb 0.00 -2.62 0.01 0.00 1.34 0.00 0.00 72.50 71.23 2k0f s THR 58 CO 0.00 0.06 0.96 -0.51 -0.54 0.00 0.00 174.62 174.59 2k0f s ILE 59 N -1.33 4.67 0.39 2.99 2.07 -1.24 -4.81 121.20 123.95 2k0f s ILE 59 Ca 0.23 1.67 0.08 0.00 -1.41 0.00 0.00 60.65 61.21 2k0f s ILE 59 Cb -0.11 -4.28 -0.05 0.00 0.13 0.00 0.00 42.46 38.16 2k0f s ILE 59 CO 0.15 -0.28 0.16 -1.81 -1.91 0.00 0.00 174.94 171.25 2k0f s ASP 60 N 1.47 4.49 0.14 4.50 1.01 -1.26 -4.42 116.67 122.60 2k0f s ASP 60 Ca 0.40 -0.98 -0.22 0.00 0.71 0.00 0.00 52.55 52.46 2k0f s ASP 60 Cb -0.14 -0.55 0.01 0.00 1.01 0.00 0.00 42.92 43.25 2k0f s ASP 60 CO 0.11 -0.46 1.65 0.15 0.21 0.00 0.00 175.17 176.83 2k0f h PHE 61 N 1.47 -0.45 0.00 4.23 3.57 -1.96 -0.15 116.94 123.66 2k0f h PHE 61 Ca -0.43 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2k0f h PHE 61 Cb 1.25 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.22 2k0f h PHE 61 CO 0.63 -0.25 0.00 -0.35 -2.23 0.00 0.00 178.31 176.11 2k0f n PRO 62 N -5.33 0.02 -0.13 6.41 -0.04 -1.26 0.03 135.00 134.71 2k0f n PRO 62 Ca -0.02 0.40 -0.26 0.00 -0.04 0.00 0.00 63.50 63.58 2k0f n PRO 62 Cb 0.24 -1.55 -0.11 0.00 -0.04 0.00 0.00 33.50 32.04 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 -1.60 0.60 -0.28 0.54 1.02 -0.40 -1.32 120.64 119.20 2k0f n GLU 63 Ca 0.01 0.30 0.01 0.00 -0.02 0.00 0.00 57.16 57.47 2k0f n GLU 63 Cb 0.09 -1.55 0.08 0.00 -0.02 0.00 0.00 31.44 30.03 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 -0.81 -0.57 0.44 -0.32 3.57 -1.08 -2.05 116.94 116.11 2k0f h PHE 64 Ca -0.61 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 60.94 2k0f h PHE 64 Cb 1.62 0.37 0.00 0.00 2.79 0.00 0.00 35.95 40.74 2k0f h PHE 64 CO -0.03 -0.36 -0.21 1.25 -2.23 0.00 0.00 178.31 176.73 2k0f h LEU 65 N -0.03 -0.50 -0.70 0.59 5.85 -0.46 0.11 115.31 120.17 2k0f h LEU 65 Ca 0.36 -0.04 0.15 0.00 0.84 0.00 0.00 57.88 59.19 2k0f h LEU 65 Cb 0.59 0.13 -0.13 0.00 0.37 0.00 0.00 40.66 41.62 2k0f h LEU 65 CO -0.82 -0.27 -0.08 0.74 -0.34 0.00 0.00 178.44 177.66 2k0f h THR 66 N -0.69 0.34 0.28 1.05 2.02 -1.18 0.25 112.91 114.99 2k0f h THR 66 Ca -0.06 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 2k0f h THR 66 Cb 0.50 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2k0f h THR 66 CO 0.10 0.01 -0.13 -0.03 0.37 0.00 0.00 175.52 175.83 2k0f h MET 67 N 0.05 -0.36 -0.01 6.66 1.85 -1.11 -2.80 114.93 119.21 2k0f h MET 67 Ca 0.36 0.02 -0.14 0.00 -0.61 0.00 0.00 59.70 59.33 2k0f h MET 67 Cb 0.59 0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.69 2k0f h MET 67 CO -0.67 -0.16 -0.66 0.52 -0.40 0.00 0.00 176.91 175.54 2k0f h MET 68 N -0.49 0.04 -0.12 0.39 2.07 -0.33 -3.23 114.93 113.26 2k0f h MET 68 Ca -0.04 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 2k0f h MET 68 Cb 0.37 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.10 2k0f h MET 68 CO 0.06 0.69 0.00 0.00 1.07 0.00 0.00 176.91 178.73 2k0f n ALA 69 N -2.42 2.50 -2.43 6.32 0.00 0.85 -4.84 120.51 120.49 2k0f n ALA 69 Ca -0.01 -0.63 -0.42 0.00 0.00 0.00 0.00 53.44 52.38 2k0f n ALA 69 Cb 0.65 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.86 4.44 0.78 0.00 3.52 -1.06 -5.01 118.95 119.76 2k0f s ARG 70 Ca 0.34 1.76 -0.12 0.00 -0.13 0.00 0.00 55.73 57.58 2k0f s ARG 70 Cb 0.20 -3.35 0.06 0.00 -1.56 0.00 0.00 34.95 30.30 2k0f s ARG 70 CO 0.30 -0.25 1.10 0.15 -0.81 0.00 0.00 175.30 175.80 2k0f s LYS 71 N 1.05 2.21 0.33 5.12 1.02 -1.26 -5.01 119.74 123.21 2k0f s LYS 71 Ca 0.58 0.53 0.08 0.00 0.02 0.00 0.00 55.97 57.19 2k0f s LYS 71 Cb -0.29 -1.94 -0.06 0.00 -0.52 0.00 0.00 37.83 35.01 2k0f s LYS 71 CO 0.29 -1.51 -0.07 -1.64 -0.92 0.00 0.00 175.35 171.51 2k0f s MET 72 N -5.24 1.75 0.48 1.68 -1.94 -1.26 -5.12 119.30 109.64 2k0f s MET 72 Ca 0.60 -1.91 -0.21 0.00 -1.71 0.00 0.00 55.69 52.46 2k0f s MET 72 Cb -0.13 -1.50 -0.08 0.00 2.01 0.00 0.00 34.83 35.13 2k0f s MET 72 CO 0.53 0.07 1.09 -1.59 -0.01 0.00 0.00 175.02 175.12 2k0f s LYS 73 N -3.67 3.75 0.32 2.03 -2.85 -1.26 -4.88 119.74 113.19 2k0f s LYS 73 Ca 0.32 1.55 0.06 0.00 -1.00 0.00 0.00 55.97 56.91 2k0f s LYS 73 Cb 0.04 -2.23 0.73 0.00 -2.06 0.00 0.00 37.83 34.31 2k0f s LYS 73 CO 0.15 -0.51 1.83 -0.44 0.10 0.00 0.00 175.35 176.49 2k0f h ASP 74 N 1.77 0.76 -0.63 0.03 3.32 -2.00 -2.18 116.42 117.49 2k0f h ASP 74 Ca -0.49 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 2k0f h ASP 74 Cb 1.24 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 2k0f h ASP 74 CO 0.59 0.36 0.22 0.71 -1.72 0.00 0.00 179.24 179.40 2k0f h THR 75 N 0.79 1.24 0.00 0.35 1.35 -1.99 0.05 112.91 114.70 2k0f h THR 75 Ca 0.50 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2k0f h THR 75 Cb 0.73 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 2k0f h THR 75 CO -0.27 0.31 -0.62 0.44 -0.25 0.00 0.00 175.52 175.13 2k0f h ASP 76 N 0.90 0.00 0.38 5.36 3.32 -1.87 -2.44 116.42 122.07 2k0f h ASP 76 Ca 0.21 -0.14 -0.32 0.00 0.02 0.00 0.00 57.03 56.80 2k0f h ASP 76 Cb 0.26 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.83 2k0f h ASP 76 CO -0.01 0.07 -1.44 -1.28 -1.72 0.00 0.00 179.24 174.86 2k0f h SER 77 N 0.00 0.68 -0.62 6.45 0.87 -0.91 0.48 113.55 120.50 2k0f h SER 77 Ca 0.00 -0.76 -0.01 0.00 -1.23 0.00 0.00 61.79 59.79 2k0f h SER 77 Cb 0.82 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 2k0f h SER 77 CO 0.00 1.60 0.36 -0.08 -0.53 0.00 0.00 176.83 178.18 2k0f h GLU 78 N 0.12 0.85 -0.33 2.24 4.81 -0.98 -3.20 114.58 118.08 2k0f h GLU 78 Ca -0.23 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 58.81 2k0f h GLU 78 Cb 2.10 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.30 2k0f h GLU 78 CO 0.24 0.62 -0.19 1.49 -0.73 0.00 0.00 179.01 180.45 2k0f h GLU 79 N 0.83 0.71 -0.89 1.92 4.81 -1.30 -3.15 114.58 117.51 2k0f h GLU 79 Ca 0.22 -0.32 0.21 0.00 -0.13 0.00 0.00 59.36 59.34 2k0f h GLU 79 Cb 0.01 -0.01 -0.16 0.00 0.63 0.00 0.00 28.75 29.21 2k0f h GLU 79 CO -0.04 0.93 -0.06 1.49 -0.73 0.00 0.00 179.01 180.60 2k0f h GLU 80 N 0.48 0.04 0.25 1.92 4.81 -0.89 -1.16 114.58 120.02 2k0f h GLU 80 Ca 0.07 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2k0f h GLU 80 Cb 0.73 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 2k0f h GLU 80 CO 0.05 0.02 -0.38 0.82 -0.73 0.00 0.00 179.01 178.79 2k0f h ILE 81 N 0.04 0.22 -0.71 2.32 2.04 -1.59 0.60 117.51 120.43 2k0f h ILE 81 Ca 0.49 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.35 2k0f h ILE 81 Cb 0.89 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2k0f h ILE 81 CO -0.85 0.00 0.43 0.03 0.00 0.00 0.00 178.15 177.76 2k0f h ARG 82 N -0.70 0.96 -0.76 2.37 3.08 -1.58 0.36 114.38 118.11 2k0f h ARG 82 Ca -0.00 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 2k0f h ARG 82 Cb 0.68 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 2k0f h ARG 82 CO -0.14 0.68 0.29 1.49 -1.07 0.00 0.00 179.97 181.22 2k0f h GLU 83 N 0.96 1.14 0.01 0.04 4.57 -1.09 -2.16 114.58 118.05 2k0f h GLU 83 Ca 0.25 -0.21 -0.22 0.00 -1.18 0.00 0.00 59.36 58.00 2k0f h GLU 83 Cb -0.03 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 2k0f h GLU 83 CO -0.05 0.93 -1.09 0.00 -1.18 0.00 0.00 179.01 177.62 2k0f h ALA 84 N 1.21 0.36 -0.44 2.92 0.00 0.88 -3.17 119.26 121.03 2k0f h ALA 84 Ca 0.25 -0.96 0.07 0.00 0.00 0.00 0.00 54.91 54.27 2k0f h ALA 84 Cb 0.22 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2k0f h ALA 84 CO -0.02 1.25 0.10 0.35 0.00 0.00 0.00 179.25 180.93 2k0f h PHE 85 N 0.01 0.16 0.00 0.00 3.57 -0.32 -3.20 116.94 117.16 2k0f h PHE 85 Ca -0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2k0f h PHE 85 Cb 1.81 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.54 2k0f h PHE 85 CO 0.01 0.02 0.00 2.89 -2.23 0.00 0.00 178.31 179.00 2k0f n ARG 86 N -5.09 0.09 -0.07 1.11 1.85 -0.81 -0.98 116.66 112.76 2k0f n ARG 86 Ca 0.04 0.43 -0.15 0.00 -1.00 0.00 0.00 57.85 57.16 2k0f n ARG 86 Cb 0.20 -1.71 -0.05 0.00 -1.05 0.00 0.00 32.46 29.85 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2k0f h VAL 87 N 0.00 1.29 0.25 8.89 2.07 -1.68 -3.29 116.25 123.78 2k0f h VAL 87 Ca 0.00 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 2k0f h VAL 87 Cb 0.19 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2k0f h VAL 87 CO 0.00 0.56 -0.12 -0.26 0.02 0.00 0.00 177.57 177.77 2k0f h PHE 88 N 0.54 -0.31 -1.49 1.57 -1.00 -1.50 -3.44 116.94 111.31 2k0f h PHE 88 Ca 0.00 -0.01 -0.40 0.00 2.81 0.00 0.00 57.97 60.37 2k0f h PHE 88 Cb 1.15 0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.81 2k0f h PHE 88 CO 0.08 -0.19 1.30 0.34 -1.61 0.00 0.00 178.31 178.23 2k0f s ASP 89 N -4.74 4.60 -0.03 2.17 2.15 -0.15 -4.62 116.67 116.04 2k0f s ASP 89 Ca -0.05 0.66 -0.21 0.00 0.43 0.00 0.00 52.55 53.38 2k0f s ASP 89 Cb 0.00 -2.52 -0.15 0.00 -0.30 0.00 0.00 42.92 39.96 2k0f s ASP 89 CO 0.15 -2.89 0.93 0.50 -0.17 0.00 0.00 175.17 173.68 2k0f h LYS 90 N 17.11 -0.33 -0.42 4.34 1.63 -1.84 -3.32 116.57 133.73 2k0f h LYS 90 Ca -0.19 0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.58 2k0f h LYS 90 Cb 1.19 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.88 2k0f h LYS 90 CO 1.16 0.03 0.06 0.38 -3.45 0.00 0.00 179.45 177.63 2k0f h ASP 91 N -0.89 0.68 0.00 4.20 2.03 -1.92 -3.48 116.42 117.04 2k0f h ASP 91 Ca -0.03 -0.26 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 2k0f h ASP 91 Cb 0.51 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 2k0f h ASP 91 CO 0.06 0.77 0.00 0.61 -1.03 0.00 0.00 179.24 179.65 2k0f n GLY 92 N -0.49 1.19 0.04 7.15 0.00 -1.25 -4.99 105.19 106.83 2k0f n GLY 92 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.48 0.00 1.61 6.94 -1.26 -4.95 115.26 118.08 2k0f n ASN 93 Ca 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.47 2k0f n ASN 93 Cb 0.00 1.16 0.00 0.00 -2.36 0.00 0.00 39.78 38.58 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.30 1.24 2.64 4.83 0.00 -1.26 -5.08 105.19 108.87 2k0f n GLY 94 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 0.34 0.13 1.61 2.02 -1.26 -4.27 117.35 113.92 2k0f s TYR 95 Ca 0.00 -0.36 -0.29 0.00 -0.37 0.00 0.00 57.07 56.05 2k0f s TYR 95 Cb 0.00 -0.74 -0.06 0.00 -0.40 0.00 0.00 41.96 40.76 2k0f s TYR 95 CO 0.00 -0.50 0.92 0.42 -1.57 0.00 0.00 175.55 174.82 2k0f s ILE 96 N 2.09 4.46 0.45 2.71 1.01 -0.40 -4.86 121.20 126.65 2k0f s ILE 96 Ca 0.02 2.00 0.03 0.00 0.00 0.00 0.00 60.65 62.70 2k0f s ILE 96 Cb -0.16 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 2k0f s ILE 96 CO -0.08 0.36 0.10 -0.94 0.00 0.00 0.00 174.94 174.38 2k0f s SER 97 N -0.25 3.25 0.16 3.58 1.04 -1.26 -0.68 113.70 119.54 2k0f s SER 97 Ca 0.44 -1.70 -0.06 0.00 0.48 0.00 0.00 55.95 55.11 2k0f s SER 97 Cb -0.23 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.49 2k0f s SER 97 CO 0.29 -0.95 1.45 0.00 0.98 0.00 0.00 173.24 175.02 2k0f h ALA 98 N 1.62 0.58 -0.08 5.32 0.00 -1.93 -2.39 119.26 122.38 2k0f h ALA 98 Ca -0.37 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 53.99 2k0f h ALA 98 Cb 1.29 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k0f h ALA 98 CO 0.60 0.69 -0.02 0.00 0.00 0.00 0.00 179.25 180.53 2k0f h ALA 99 N 0.85 0.11 -0.37 0.00 0.00 -1.98 -1.81 119.26 116.05 2k0f h ALA 99 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2k0f h ALA 99 Cb 1.16 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2k0f h ALA 99 CO 0.12 -0.17 0.19 0.93 0.00 0.00 0.00 179.25 180.31 2k0f h GLU 100 N -0.19 0.38 -0.20 0.00 5.08 -1.88 0.24 114.58 118.01 2k0f h GLU 100 Ca 0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2k0f h GLU 100 Cb 0.42 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 100 CO 0.01 0.25 -0.03 1.25 -1.00 0.00 0.00 179.01 179.49 2k0f h LEU 101 N 0.39 0.27 0.11 1.33 5.85 -1.28 -0.30 115.31 121.68 2k0f h LEU 101 Ca 0.16 -0.04 -0.35 0.00 0.84 0.00 0.00 57.88 58.49 2k0f h LEU 101 Cb 0.06 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2k0f h LEU 101 CO -0.10 0.35 -1.90 -0.09 -0.34 0.00 0.00 178.44 176.35 2k0f h ARG 102 N 0.29 0.23 -0.34 1.25 2.43 -0.97 -3.15 114.38 114.12 2k0f h ARG 102 Ca 0.07 -0.40 0.05 0.00 -0.81 0.00 0.00 59.98 58.89 2k0f h ARG 102 Cb 0.25 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 2k0f h ARG 102 CO 0.01 1.10 0.08 1.25 -1.51 0.00 0.00 179.97 180.90 2k0f h HIS 103 N 0.06 0.14 0.10 2.20 2.76 -0.49 0.13 115.15 120.05 2k0f h HIS 103 Ca -0.38 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 57.81 2k0f h HIS 103 Cb 2.04 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.98 2k0f h HIS 103 CO 0.07 0.03 -0.08 -0.24 -1.30 0.00 0.00 177.93 176.41 2k0f h VAL 104 N 0.20 0.83 -0.13 5.26 3.04 -1.18 -2.35 116.25 121.93 2k0f h VAL 104 Ca 0.16 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.75 2k0f h VAL 104 Cb 0.17 0.83 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 2k0f h VAL 104 CO -0.20 0.00 -0.37 0.24 -1.01 0.00 0.00 177.57 176.23 2k0f h MET 105 N -0.19 0.27 -0.12 4.17 2.86 -1.52 0.12 114.93 120.52 2k0f h MET 105 Ca -0.00 -0.12 0.05 0.00 -2.06 0.00 0.00 59.70 57.56 2k0f h MET 105 Cb 0.17 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 2k0f h MET 105 CO -0.01 0.61 -0.24 1.15 1.06 0.00 0.00 176.91 179.48 2k0f h THR 106 N 0.23 0.43 0.00 2.22 2.02 -0.57 0.20 112.91 117.44 2k0f h THR 106 Ca 0.02 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 2k0f h THR 106 Cb 0.76 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2k0f h THR 106 CO 0.06 0.00 -0.22 0.78 0.37 0.00 0.00 175.52 176.51 2k0f h ASN 107 N -0.31 0.00 -0.01 4.18 2.35 -0.87 -3.23 115.58 117.69 2k0f h ASN 107 Ca 0.10 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 2k0f h ASN 107 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2k0f h ASN 107 CO -0.30 0.22 -0.12 0.25 -1.65 0.00 0.00 177.43 175.83 2k0f h LEU 108 N 0.00 0.12 0.00 1.61 7.12 -0.62 -3.42 115.31 120.12 2k0f h LEU 108 Ca -0.00 -0.74 0.00 0.00 0.13 0.00 0.00 57.88 57.27 2k0f h LEU 108 Cb 0.59 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 2k0f h LEU 108 CO 0.03 0.84 0.00 0.61 -0.13 0.00 0.00 178.44 179.79 2k0f n GLY 109 N 0.92 0.17 3.08 3.75 0.00 0.04 -4.93 105.19 108.22 2k0f n GLY 109 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 1.65 -0.63 1.61 0.41 0.49 -5.02 118.70 117.22 2k0f s GLU 110 Ca 0.00 -0.51 -0.24 0.00 -0.41 0.00 0.00 54.97 53.81 2k0f s GLU 110 Cb 0.00 -1.42 0.05 0.00 -1.78 0.00 0.00 34.13 30.98 2k0f s GLU 110 CO 0.00 0.16 1.03 0.21 -0.49 0.00 0.00 175.26 176.17 2k0f s LYS 111 N 0.24 3.22 0.03 1.61 2.20 -1.26 -3.86 119.74 121.93 2k0f s LYS 111 Ca -0.07 -0.46 -0.05 0.00 -0.36 0.00 0.00 55.97 55.03 2k0f s LYS 111 Cb -0.12 -4.15 -0.05 0.00 -1.51 0.00 0.00 37.83 32.00 2k0f s LYS 111 CO 0.02 -1.76 0.27 -0.51 -0.36 0.00 0.00 175.35 173.02 2k0f s LEU 112 N 4.39 4.35 0.72 5.43 1.43 -1.26 -5.12 118.68 128.62 2k0f s LEU 112 Ca 0.29 0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 53.80 2k0f s LEU 112 Cb -0.13 -2.79 0.04 0.00 0.03 0.00 0.00 46.19 43.34 2k0f s LEU 112 CO 0.15 0.22 1.07 0.42 0.23 0.00 0.00 176.35 178.44 2k0f s THR 113 N -1.38 2.77 0.37 5.49 -4.23 -1.26 -4.99 115.64 112.41 2k0f s THR 113 Ca 0.30 0.08 0.07 0.00 -1.18 0.00 0.00 61.69 60.97 2k0f s THR 113 Cb -0.13 -3.22 0.17 0.00 1.34 0.00 0.00 72.50 70.66 2k0f s THR 113 CO 0.19 -0.26 1.91 0.44 -0.54 0.00 0.00 174.62 176.36 2k0f h ASP 114 N -0.69 0.35 0.32 3.99 3.32 -2.00 -3.12 116.42 118.59 2k0f h ASP 114 Ca -0.45 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.53 2k0f h ASP 114 Cb 1.29 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 2k0f h ASP 114 CO 0.63 0.45 -0.52 -0.33 -1.72 0.00 0.00 179.24 177.76 2k0f h GLU 115 N 0.36 -0.86 0.00 3.56 3.07 -1.99 -2.75 114.58 115.97 2k0f h GLU 115 Ca 0.08 0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.94 2k0f h GLU 115 Cb 0.32 0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 2k0f h GLU 115 CO 0.01 -0.57 -0.28 0.93 -1.40 0.00 0.00 179.01 177.70 2k0f h GLU 116 N -0.89 0.00 -0.44 2.33 4.39 -1.94 -0.62 114.58 117.40 2k0f h GLU 116 Ca -0.04 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 2k0f h GLU 116 Cb 0.82 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2k0f h GLU 116 CO -0.17 0.28 -0.22 0.28 -1.16 0.00 0.00 179.01 178.02 2k0f h VAL 117 N 0.00 1.27 -0.25 3.13 2.07 -1.48 -1.80 116.25 119.18 2k0f h VAL 117 Ca -0.00 -1.36 -0.07 0.00 0.82 0.00 0.00 66.70 66.08 2k0f h VAL 117 Cb 0.69 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2k0f h VAL 117 CO 0.04 0.46 -0.13 -0.78 0.02 0.00 0.00 177.57 177.18 2k0f h ASP 118 N 0.78 0.55 -1.00 0.57 1.82 -1.13 -2.44 116.42 115.57 2k0f h ASP 118 Ca 0.10 -0.41 0.16 0.00 -0.39 0.00 0.00 57.03 56.49 2k0f h ASP 118 Cb 0.77 -0.15 -0.09 0.00 0.68 0.00 0.00 39.33 40.53 2k0f h ASP 118 CO 0.06 0.84 0.62 -0.08 -1.61 0.00 0.00 179.24 179.08 2k0f h GLU 119 N 0.26 0.85 0.13 0.28 4.81 -0.94 0.48 114.58 120.45 2k0f h GLU 119 Ca 0.06 -0.05 -0.25 0.00 -0.13 0.00 0.00 59.36 58.99 2k0f h GLU 119 Cb 0.63 -0.19 0.03 0.00 0.63 0.00 0.00 28.75 29.85 2k0f h GLU 119 CO 0.04 0.56 -1.06 0.52 -0.73 0.00 0.00 179.01 178.34 2k0f h MET 120 N 0.87 0.49 -0.27 1.92 2.86 -1.07 -2.30 114.93 117.44 2k0f h MET 120 Ca 0.54 -0.70 0.06 0.00 -2.06 0.00 0.00 59.70 57.54 2k0f h MET 120 Cb 0.70 0.24 -0.07 0.00 0.06 0.00 0.00 31.60 32.53 2k0f h MET 120 CO -0.32 1.31 -0.16 0.82 1.06 0.00 0.00 176.91 179.62 2k0f h ILE 121 N 0.01 0.53 -0.28 -1.22 1.08 -1.35 -2.33 117.51 113.96 2k0f h ILE 121 Ca -0.17 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.34 2k0f h ILE 121 Cb 1.78 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 36.02 2k0f h ILE 121 CO 0.20 0.00 0.04 -0.09 -0.69 0.00 0.00 178.15 177.61 2k0f h ARG 122 N -0.13 0.13 -0.50 2.37 2.43 -0.95 -0.81 114.38 116.91 2k0f h ARG 122 Ca 0.15 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 2k0f h ARG 122 Cb 0.36 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 2k0f h ARG 122 CO -0.35 0.08 0.25 1.49 -1.51 0.00 0.00 179.97 179.93 2k0f h GLU 123 N 0.13 0.47 -0.03 0.20 4.81 -1.28 -3.24 114.58 115.65 2k0f h GLU 123 Ca 0.13 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 123 Cb 0.15 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.43 2k0f h GLU 123 CO -0.19 0.31 -0.46 0.00 -0.73 0.00 0.00 179.01 177.94 2k0f h ALA 124 N 1.27 0.09 -1.30 2.92 0.00 -0.62 -3.45 119.26 118.18 2k0f h ALA 124 Ca 0.22 -0.52 -0.47 0.00 0.00 0.00 0.00 54.91 54.15 2k0f h ALA 124 Cb 0.14 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2k0f h ALA 124 CO -0.16 0.27 1.19 0.34 0.00 0.00 0.00 179.25 180.89 2k0f s ASP 125 N -6.58 5.43 0.04 0.00 2.15 -0.65 -4.85 116.67 112.21 2k0f s ASP 125 Ca -0.14 -0.07 -0.16 0.00 0.43 0.00 0.00 52.55 52.61 2k0f s ASP 125 Cb 0.03 -2.54 -0.26 0.00 -0.30 0.00 0.00 42.92 39.85 2k0f s ASP 125 CO 0.80 -2.33 1.11 -0.29 -0.17 0.00 0.00 175.17 174.28 2k0f h ILE 126 N 6.83 1.33 0.32 4.11 6.09 -1.88 -3.35 117.51 130.96 2k0f h ILE 126 Ca -0.17 -2.31 -0.02 0.00 -1.37 0.00 0.00 64.86 61.00 2k0f h ILE 126 Cb 1.11 2.62 0.00 0.00 0.47 0.00 0.00 36.82 41.02 2k0f h ILE 126 CO 1.24 0.70 -0.16 -2.24 -3.07 0.00 0.00 178.15 174.62 2k0f h ASP 127 N 0.16 -0.37 0.00 2.19 2.03 -1.94 -3.49 116.42 115.00 2k0f h ASP 127 Ca -0.14 -0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.02 2k0f h ASP 127 Cb 1.68 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 40.28 2k0f h ASP 127 CO 0.19 0.10 0.00 0.61 -1.03 0.00 0.00 179.24 179.11 2k0f n GLY 128 N 0.34 0.80 0.16 7.15 0.00 -1.26 -5.04 105.19 107.35 2k0f n GLY 128 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.00 0.03 0.00 1.61 3.04 -1.95 -3.47 116.42 115.67 2k0f h ASP 129 Ca 0.00 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2k0f h ASP 129 Cb 0.00 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.28 2k0f h ASP 129 CO 0.00 0.53 0.00 0.61 -2.04 0.00 0.00 179.24 178.34 2k0f n GLY 130 N -0.06 0.86 3.58 7.15 0.00 -1.26 -5.09 105.19 110.37 2k0f n GLY 130 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.99 2.01 -0.27 1.61 -0.21 -1.26 -4.77 119.66 115.78 2k0f s GLN 131 Ca 0.00 -1.65 0.03 0.00 0.02 0.00 0.00 55.36 53.75 2k0f s GLN 131 Cb 0.00 -1.95 0.07 0.00 1.00 0.00 0.00 33.01 32.13 2k0f s GLN 131 CO 0.00 0.27 -0.07 0.08 -2.12 0.00 0.00 175.29 173.46 2k0f s VAL 132 N -2.46 2.07 0.53 1.09 1.01 0.15 -4.72 120.40 118.07 2k0f s VAL 132 Ca 0.32 -1.71 -0.08 0.00 0.00 0.00 0.00 61.98 60.51 2k0f s VAL 132 Cb -0.04 -2.27 0.12 0.00 0.00 0.00 0.00 36.38 34.19 2k0f s VAL 132 CO 0.18 -0.17 0.73 -0.46 0.00 0.00 0.00 175.10 175.38 2k0f n ASN 133 N 4.44 0.18 0.14 3.32 0.23 -1.26 -1.27 115.26 121.04 2k0f n ASN 133 Ca -0.10 -1.34 0.04 0.00 -0.53 0.00 0.00 54.58 52.66 2k0f n ASN 133 Cb 0.42 -0.54 0.48 0.00 -2.08 0.00 0.00 39.78 38.05 2k0f n ASN 133 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 2k0f h TYR 134 N -1.28 0.22 0.00 -2.53 0.05 -2.00 -3.02 116.97 108.40 2k0f h TYR 134 Ca -0.24 -0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.40 2k0f h TYR 134 Cb 0.68 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 2k0f h TYR 134 CO 0.00 0.24 -0.63 0.93 -1.05 0.00 0.00 178.16 177.66 2k0f h GLU 135 N 0.21 0.00 0.00 4.88 4.39 -1.97 -3.15 114.58 118.94 2k0f h GLU 135 Ca 0.05 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.53 2k0f h GLU 135 Cb 0.17 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 2k0f h GLU 135 CO 0.00 0.63 -1.15 0.93 -1.16 0.00 0.00 179.01 178.26 2k0f h GLU 136 N 0.00 0.00 0.07 2.33 5.08 -1.88 -3.23 114.58 116.95 2k0f h GLU 136 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 136 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2k0f h GLU 136 CO 0.08 0.84 -0.03 0.35 -1.00 0.00 0.00 179.01 179.25 2k0f h PHE 137 N 0.00 -0.09 0.00 4.33 3.04 -1.53 -3.34 116.94 119.35 2k0f h PHE 137 Ca -0.08 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.87 2k0f h PHE 137 Cb 1.80 0.03 0.00 0.00 2.56 0.00 0.00 35.95 40.34 2k0f h PHE 137 CO 0.00 -0.05 0.00 -0.24 -2.02 0.00 0.00 178.31 176.00 2k0f h VAL 138 N -0.94 0.00 0.79 1.41 3.04 -1.71 -3.19 116.25 115.65 2k0f h VAL 138 Ca -0.01 -0.60 -0.04 0.00 -1.01 0.00 0.00 66.70 65.05 2k0f h VAL 138 Cb 0.07 1.59 0.01 0.00 -2.01 0.00 0.00 31.29 30.95 2k0f h VAL 138 CO 0.02 0.00 -0.38 -0.61 -1.01 0.00 0.00 177.57 175.59 2k0f h GLN 139 N 0.00 -1.02 -0.06 4.17 5.75 -1.71 -3.11 115.11 119.13 2k0f h GLN 139 Ca 0.00 0.07 -0.11 0.00 -0.15 0.00 0.00 58.65 58.46 2k0f h GLN 139 Cb 0.79 0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.56 2k0f h GLN 139 CO 0.00 -0.68 -0.46 0.00 -2.65 0.00 0.00 178.83 175.04 2k0f h MET 140 N -1.08 0.15 -0.00 1.69 -0.00 -1.68 -2.89 114.93 111.12 2k0f h MET 140 Ca -0.11 -0.08 0.00 0.00 -0.00 0.00 0.00 59.70 59.52 2k0f h MET 140 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.42 2k0f h MET 140 CO 0.18 0.58 0.00 -1.33 -0.00 0.00 0.00 176.91 176.34 2k0f n MET 141 N -3.99 1.00 0.00 -0.10 2.81 -1.21 -5.16 117.12 110.49 2k0f n MET 141 Ca -0.02 -0.01 0.14 0.00 -1.81 0.00 0.00 57.70 56.01 2k0f n MET 141 Cb 0.50 -1.38 0.60 0.00 -0.71 0.00 0.00 33.22 32.23 2k0f n MET 141 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89