#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 0.06 -0.97 -0.78 4.81 -2.05 -2.97 114.58 112.68 2k0f h GLU 2 Ca 0.00 -0.01 0.28 0.00 -0.13 0.00 0.00 59.36 59.50 2k0f h GLU 2 Cb 0.00 -0.01 -0.18 0.00 0.63 0.00 0.00 28.75 29.19 2k0f h GLU 2 CO 0.00 0.09 0.07 1.05 -0.73 0.00 0.00 179.01 179.49 2k0f h GLU 3 N 0.02 0.02 0.09 1.92 4.11 -2.05 0.12 114.58 118.81 2k0f h GLU 3 Ca 0.02 -0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.19 2k0f h GLU 3 Cb 0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2k0f h GLU 3 CO -0.00 0.01 -1.18 0.37 0.07 0.00 0.00 179.01 178.28 2k0f h GLN 4 N 0.02 0.18 -0.16 1.06 4.15 -1.98 -1.99 115.11 116.40 2k0f h GLN 4 Ca 0.61 -0.31 -0.22 0.00 0.77 0.00 0.00 58.65 59.50 2k0f h GLN 4 Cb 1.27 0.12 0.01 0.00 0.21 0.00 0.00 27.48 29.09 2k0f h GLN 4 CO -0.89 1.14 -0.75 0.82 -1.93 0.00 0.00 178.83 177.22 2k0f h ILE 5 N 0.05 1.29 -0.80 2.39 1.08 -1.27 -1.62 117.51 118.62 2k0f h ILE 5 Ca -0.10 -1.96 0.16 0.00 -0.39 0.00 0.00 64.86 62.57 2k0f h ILE 5 Cb 1.91 1.95 -0.06 0.00 -3.07 0.00 0.00 36.82 37.56 2k0f h ILE 5 CO 0.18 0.62 0.53 0.00 -0.69 0.00 0.00 178.15 178.79 2k0f h ALA 6 N 0.61 2.13 0.04 1.87 0.00 -0.83 0.10 119.26 123.19 2k0f h ALA 6 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k0f h ALA 6 Cb 1.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2k0f h ALA 6 CO 0.15 -0.36 -0.02 1.49 0.00 0.00 0.00 179.25 180.52 2k0f h GLU 7 N 0.42 -0.05 -0.96 0.00 4.81 -0.84 -0.60 114.58 117.37 2k0f h GLU 7 Ca 0.40 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.70 2k0f h GLU 7 Cb 0.94 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.26 2k0f h GLU 7 CO -0.14 0.54 0.61 0.74 -0.73 0.00 0.00 179.01 180.04 2k0f h PHE 8 N -0.69 1.13 0.00 0.92 0.04 -0.98 -2.94 116.94 114.42 2k0f h PHE 8 Ca -0.01 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2k0f h PHE 8 Cb 0.61 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.40 2k0f h PHE 8 CO 0.14 0.57 0.00 -0.22 -0.60 0.00 0.00 178.31 178.20 2k0f h LYS 9 N 1.10 0.00 -0.10 1.51 3.64 -0.74 -2.65 116.57 119.33 2k0f h LYS 9 Ca 0.42 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.75 2k0f h LYS 9 Cb 0.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2k0f h LYS 9 CO -0.18 0.00 -0.13 1.49 -2.27 0.00 0.00 179.45 178.36 2k0f h GLU 10 N 0.00 0.26 -0.65 1.90 4.57 -0.98 -1.22 114.58 118.46 2k0f h GLU 10 Ca 0.00 -0.15 0.05 0.00 -1.18 0.00 0.00 59.36 58.08 2k0f h GLU 10 Cb 0.84 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.40 2k0f h GLU 10 CO 0.00 0.71 0.43 0.00 -1.18 0.00 0.00 179.01 178.97 2k0f h ALA 11 N 0.54 1.72 -0.45 2.92 0.00 -1.47 -2.42 119.26 120.11 2k0f h ALA 11 Ca 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2k0f h ALA 11 Cb 0.68 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2k0f h ALA 11 CO 0.03 0.19 0.03 0.35 0.00 0.00 0.00 179.25 179.85 2k0f h PHE 12 N 0.70 0.75 0.00 0.00 3.04 -1.30 -1.72 116.94 118.41 2k0f h PHE 12 Ca 0.27 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 62.14 2k0f h PHE 12 Cb 0.20 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.49 2k0f h PHE 12 CO -0.00 0.68 0.00 0.43 -2.02 0.00 0.00 178.31 177.40 2k0f n SER 13 N -4.25 0.45 0.02 0.41 7.64 -0.47 -2.48 113.62 114.93 2k0f n SER 13 Ca 0.03 0.60 -0.22 0.00 1.01 0.00 0.00 58.87 60.29 2k0f n SER 13 Cb 0.26 -0.70 -0.14 0.00 -1.01 0.00 0.00 64.21 62.62 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k0f h LEU 14 N 0.00 0.43 0.04 -3.43 5.85 -1.01 -3.39 115.31 113.80 2k0f h LEU 14 Ca 0.00 -0.89 -0.24 0.00 0.84 0.00 0.00 57.88 57.60 2k0f h LEU 14 Cb 0.36 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2k0f h LEU 14 CO 0.00 1.74 -1.09 -0.26 -0.34 0.00 0.00 178.44 178.49 2k0f h PHE 15 N -0.11 0.22 -3.14 1.25 0.04 -1.44 -3.43 116.94 110.32 2k0f h PHE 15 Ca -0.36 -0.16 -0.57 0.00 2.80 0.00 0.00 57.97 59.68 2k0f h PHE 15 Cb 1.91 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 40.01 2k0f h PHE 15 CO 0.10 1.11 0.99 0.34 -0.60 0.00 0.00 178.31 180.25 2k0f s ASP 16 N -6.91 6.62 0.19 2.17 2.15 -1.03 -4.82 116.67 115.04 2k0f s ASP 16 Ca -0.01 1.18 0.22 0.00 0.43 0.00 0.00 52.55 54.37 2k0f s ASP 16 Cb 0.09 -2.54 0.90 0.00 -0.30 0.00 0.00 42.92 41.07 2k0f s ASP 16 CO 0.85 -1.13 1.68 0.29 -0.17 0.00 0.00 175.17 176.69 2k0f n LYS 17 N 7.42 0.16 -0.04 4.34 4.76 -1.26 -3.93 118.16 129.61 2k0f n LYS 17 Ca 0.15 0.34 -0.03 0.00 -2.87 0.00 0.00 58.31 55.90 2k0f n LYS 17 Cb 0.47 -1.77 -0.01 0.00 -1.84 0.00 0.00 35.03 31.87 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 -2.06 0.82 0.00 4.39 8.00 -1.26 -5.02 116.55 121.42 2k0f n ASP 18 Ca 0.03 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.77 2k0f n ASP 18 Cb 0.25 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 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 1.56 1.41 0.26 0.44 0.00 -1.25 -5.03 105.19 102.58 2k0f n GLY 19 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.89 0.00 1.61 2.03 -1.95 -3.47 116.42 115.53 2k0f h ASP 20 Ca 0.00 -0.37 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 2k0f h ASP 20 Cb 0.00 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.25 2k0f h ASP 20 CO 0.00 1.13 0.00 0.61 -1.03 0.00 0.00 179.24 179.95 2k0f n GLY 21 N -0.03 0.88 3.21 7.15 0.00 -1.26 -5.15 105.19 109.99 2k0f n GLY 21 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.72 1.40 -0.25 2.61 -4.23 -1.26 -4.55 115.64 107.64 2k0f s THR 22 Ca 0.00 -1.22 -0.03 0.00 -1.18 0.00 0.00 61.69 59.25 2k0f s THR 22 Cb 0.00 -1.26 0.01 0.00 1.34 0.00 0.00 72.50 72.59 2k0f s THR 22 CO 0.00 0.01 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.42 2k0f s ILE 23 N -0.98 3.18 0.48 2.99 1.01 -1.09 -4.77 121.20 122.03 2k0f s ILE 23 Ca 0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 2k0f s ILE 23 Cb -0.09 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 2k0f s ILE 23 CO 0.02 0.26 0.75 0.42 0.00 0.00 0.00 174.94 176.39 2k0f s THR 24 N 1.40 4.32 0.25 2.92 -4.23 -1.26 -3.38 115.64 115.66 2k0f s THR 24 Ca 0.02 -0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 60.33 2k0f s THR 24 Cb -0.16 -3.63 0.28 0.00 1.34 0.00 0.00 72.50 70.33 2k0f s THR 24 CO -0.03 -0.55 1.64 0.71 -0.54 0.00 0.00 174.62 175.85 2k0f h THR 25 N 0.24 0.35 -0.64 3.99 1.35 -1.89 0.07 112.91 116.39 2k0f h THR 25 Ca -0.47 -0.05 -0.04 0.00 -0.55 0.00 0.00 66.41 65.31 2k0f h THR 25 Cb 1.24 0.20 -0.03 0.00 -1.73 0.00 0.00 68.15 67.82 2k0f h THR 25 CO 0.60 0.03 0.26 0.11 -0.25 0.00 0.00 175.52 176.26 2k0f h LYS 26 N 0.14 0.97 0.46 4.72 1.57 -1.94 -0.88 116.57 121.61 2k0f h LYS 26 Ca 0.44 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2k0f h LYS 26 Cb 0.81 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 2k0f h LYS 26 CO -0.65 0.81 -0.52 0.93 -0.57 0.00 0.00 179.45 179.46 2k0f h GLU 27 N 0.91 -0.96 -0.90 3.15 5.08 -1.83 -0.87 114.58 119.16 2k0f h GLU 27 Ca 0.21 0.07 0.22 0.00 -1.00 0.00 0.00 59.36 58.86 2k0f h GLU 27 Cb 0.21 0.22 -0.12 0.00 0.50 0.00 0.00 28.75 29.55 2k0f h GLU 27 CO -0.02 -0.64 0.39 -0.07 -1.00 0.00 0.00 179.01 177.68 2k0f h LEU 28 N -0.99 0.33 -0.32 1.33 3.38 -1.02 -0.34 115.31 117.68 2k0f h LEU 28 Ca -0.06 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.12 2k0f h LEU 28 Cb 0.87 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.68 2k0f h LEU 28 CO -0.09 -0.00 -0.46 1.23 0.09 0.00 0.00 178.44 179.21 2k0f h GLY 29 N 0.40 -0.71 0.88 0.83 0.00 -0.94 0.26 103.07 103.79 2k0f h GLY 29 Ca 0.56 0.58 0.03 0.00 0.00 0.00 0.00 47.33 48.50 2k0f h GLY 29 CO -0.53 -0.18 0.61 -0.84 0.00 0.00 0.00 176.54 175.60 2k0f h THR 30 N -0.40 1.16 -0.07 4.70 2.02 -0.27 -1.78 112.91 118.27 2k0f h THR 30 Ca 0.10 -0.41 -0.17 0.00 0.77 0.00 0.00 66.41 66.71 2k0f h THR 30 Cb 0.61 -0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2k0f h THR 30 CO -0.53 0.22 -0.61 0.58 0.37 0.00 0.00 175.52 175.55 2k0f h VAL 31 N 1.18 1.36 0.04 3.16 2.07 -0.69 -1.89 116.25 121.49 2k0f h VAL 31 Ca 0.37 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 2k0f h VAL 31 Cb 0.00 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2k0f h VAL 31 CO -0.12 0.58 -0.02 0.24 0.02 0.00 0.00 177.57 178.28 2k0f h MET 32 N 0.13 -0.05 -0.03 1.57 2.86 -0.92 -2.93 114.93 115.55 2k0f h MET 32 Ca -0.06 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2k0f h MET 32 Cb 1.27 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 2k0f h MET 32 CO 0.12 0.03 0.02 -0.09 1.06 0.00 0.00 176.91 178.06 2k0f h ARG 33 N -0.13 0.00 0.01 1.72 2.43 -1.04 -1.04 114.38 116.34 2k0f h ARG 33 Ca -0.01 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.96 2k0f h ARG 33 Cb 0.11 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2k0f h ARG 33 CO 0.01 0.00 -0.91 0.77 -1.51 0.00 0.00 179.97 178.33 2k0f h SER 34 N 0.00 0.23 -0.08 -3.80 0.02 -1.28 -2.14 113.55 106.50 2k0f h SER 34 Ca 0.01 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 2k0f h SER 34 Cb 0.06 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2k0f h SER 34 CO -0.00 1.02 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.46 2k0f h LEU 35 N 0.09 0.29 0.00 5.07 3.38 -1.30 -3.49 115.31 119.35 2k0f h LEU 35 Ca -0.05 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2k0f h LEU 35 Cb 1.56 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2k0f h LEU 35 CO 0.14 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.10 2k0f n GLY 36 N 0.50 0.71 2.92 0.83 0.00 -0.45 -5.12 105.19 104.58 2k0f n GLY 36 Ca -0.08 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 0.07 -0.68 1.61 -0.21 -0.88 -4.96 119.66 114.61 2k0f s GLN 37 Ca 0.00 0.16 0.03 0.00 0.02 0.00 0.00 55.36 55.58 2k0f s GLN 37 Cb 0.00 -0.04 0.17 0.00 1.00 0.00 0.00 33.01 34.13 2k0f s GLN 37 CO 0.00 -0.06 0.47 -0.80 -2.12 0.00 0.00 175.29 172.78 2k0f s ASN 38 N 0.40 4.89 1.04 5.90 0.01 -1.26 -2.56 114.94 123.36 2k0f s ASN 38 Ca -0.03 -3.55 -0.16 0.00 -0.71 0.00 0.00 52.86 48.40 2k0f s ASN 38 Cb -0.04 -1.69 0.22 0.00 0.41 0.00 0.00 41.25 40.14 2k0f s ASN 38 CO -0.01 -0.16 1.21 -2.16 -1.51 0.00 0.00 177.10 174.47 2k0f s PRO 39 N -1.05 0.04 0.41 -0.60 0.04 -1.26 -5.09 135.00 127.49 2k0f s PRO 39 Ca 0.23 -0.14 0.03 0.00 0.04 0.00 0.00 61.00 61.15 2k0f s PRO 39 Cb -0.12 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 2k0f s PRO 39 CO -0.11 -2.86 0.60 0.95 0.04 0.00 0.00 177.00 175.62 2k0f s THR 40 N -3.44 4.04 0.04 1.26 -4.23 -1.26 -5.02 115.64 107.03 2k0f s THR 40 Ca 0.71 -0.68 0.14 0.00 -1.18 0.00 0.00 61.69 60.68 2k0f s THR 40 Cb -0.08 -3.46 0.03 0.00 1.34 0.00 0.00 72.50 70.32 2k0f s THR 40 CO 0.54 -0.27 1.52 -0.08 -0.54 0.00 0.00 174.62 175.79 2k0f h GLU 41 N 0.58 0.00 0.54 3.99 4.81 -1.98 -2.48 114.58 120.04 2k0f h GLU 41 Ca -0.46 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 2k0f h GLU 41 Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 2k0f h GLU 41 CO 0.56 0.57 -0.32 0.00 -0.73 0.00 0.00 179.01 179.08 2k0f h ALA 42 N 1.43 -1.16 0.00 2.92 0.00 -1.99 -1.61 119.26 118.85 2k0f h ALA 42 Ca -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2k0f h ALA 42 Cb 1.28 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 2k0f h ALA 42 CO 0.07 -1.13 -0.05 1.05 0.00 0.00 0.00 179.25 179.20 2k0f h GLU 43 N -0.80 0.00 0.00 0.00 4.11 -1.98 0.13 114.58 116.04 2k0f h GLU 43 Ca -0.07 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.25 2k0f h GLU 43 Cb 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2k0f h GLU 43 CO 0.08 0.05 -0.63 -0.07 0.07 0.00 0.00 179.01 178.51 2k0f h LEU 44 N 0.00 0.00 -0.36 3.06 3.38 -1.37 -2.77 115.31 117.26 2k0f h LEU 44 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2k0f h LEU 44 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2k0f h LEU 44 CO 0.01 0.45 -0.09 -0.61 0.09 0.00 0.00 178.44 178.29 2k0f h GLN 45 N 0.00 0.69 -0.74 1.13 5.75 -0.02 -2.59 115.11 119.34 2k0f h GLN 45 Ca -0.03 -0.27 0.13 0.00 -0.15 0.00 0.00 58.65 58.33 2k0f h GLN 45 Cb 1.37 -0.04 -0.09 0.00 1.07 0.00 0.00 27.48 29.79 2k0f h GLN 45 CO 0.05 0.85 0.32 -0.44 -2.65 0.00 0.00 178.83 176.96 2k0f h ASP 46 N 0.49 0.33 -0.77 -0.69 3.32 -0.73 0.02 116.42 118.40 2k0f h ASP 46 Ca 0.09 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 2k0f h ASP 46 Cb 0.60 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 2k0f h ASP 46 CO 0.04 0.15 0.38 -0.03 -1.72 0.00 0.00 179.24 178.05 2k0f h MET 47 N 0.49 1.11 -0.44 3.56 4.05 -1.49 -1.47 114.93 120.73 2k0f h MET 47 Ca 0.39 -0.16 -0.05 0.00 -0.28 0.00 0.00 59.70 59.60 2k0f h MET 47 Cb 0.55 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 2k0f h MET 47 CO -0.36 0.86 0.07 0.82 0.23 0.00 0.00 176.91 178.52 2k0f h ILE 48 N 1.08 1.25 0.00 1.77 2.04 -0.99 -3.34 117.51 119.33 2k0f h ILE 48 Ca 0.27 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.22 2k0f h ILE 48 Cb 0.11 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2k0f h ILE 48 CO -0.03 0.32 0.00 0.59 0.00 0.00 0.00 178.15 179.02 2k0f n ASN 49 N -4.46 0.32 0.05 1.72 3.02 -0.06 0.59 115.26 116.44 2k0f n ASN 49 Ca 0.00 0.55 -0.08 0.00 -0.03 0.00 0.00 54.58 55.03 2k0f n ASN 49 Cb 0.25 -0.63 0.08 0.00 -0.61 0.00 0.00 39.78 38.87 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2k0f h GLU 50 N 0.00 0.38 0.00 3.52 4.81 -1.53 -3.30 114.58 118.46 2k0f h GLU 50 Ca 0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2k0f h GLU 50 Cb 0.45 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2k0f h GLU 50 CO 0.00 0.88 -1.14 1.33 -0.73 0.00 0.00 179.01 179.35 2k0f n VAL 51 N -3.89 0.00 -1.64 0.32 0.24 -0.89 -4.96 118.33 107.51 2k0f n VAL 51 Ca -0.03 -0.21 -0.49 0.00 -2.04 0.00 0.00 64.34 61.57 2k0f n VAL 51 Cb 0.63 0.47 -0.05 0.00 -1.47 0.00 0.00 33.84 33.42 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 -1.64 3.12 -0.08 -1.34 2.03 0.20 -4.73 116.55 114.11 2k0f n ASP 52 Ca -0.01 0.82 -0.10 0.00 0.52 0.00 0.00 54.79 56.02 2k0f n ASP 52 Cb 0.18 -1.35 -0.10 0.00 -0.72 0.00 0.00 41.12 39.14 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N 7.53 1.63 -0.06 -1.67 0.00 -1.26 -4.40 120.51 122.28 2k0f n ALA 53 Ca 0.27 -0.84 -0.15 0.00 0.00 0.00 0.00 53.44 52.72 2k0f n ALA 53 Cb 0.28 0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.70 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 0.00 0.85 0.00 0.00 3.04 -1.94 -3.49 116.42 114.88 2k0f h ASP 54 Ca -0.39 -0.55 0.00 0.00 -3.24 0.00 0.00 57.03 52.85 2k0f h ASP 54 Cb 1.73 -0.24 0.00 0.00 -1.04 0.00 0.00 39.33 39.78 2k0f h ASP 54 CO -0.02 1.24 0.00 0.61 -2.04 0.00 0.00 179.24 179.03 2k0f n GLY 55 N 0.43 1.05 0.21 7.15 0.00 -1.26 -5.00 105.19 107.77 2k0f n GLY 55 Ca -0.05 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 45.96 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.00 0.00 1.61 7.08 -1.94 -3.48 115.58 118.85 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 56 Cb 0.01 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.25 2k0f h ASN 56 CO 0.00 0.12 0.00 0.61 -2.08 0.00 0.00 177.43 176.08 2k0f n GLY 57 N 1.02 0.91 3.45 9.14 0.00 -1.26 -5.11 105.19 113.34 2k0f n GLY 57 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 2.41 -0.02 2.61 -4.23 -1.26 -4.69 115.64 108.45 2k0f s THR 58 Ca 0.00 -2.30 -0.23 0.00 -1.18 0.00 0.00 61.69 57.98 2k0f s THR 58 Cb 0.00 -2.24 -0.05 0.00 1.34 0.00 0.00 72.50 71.55 2k0f s THR 58 CO 0.00 -0.34 0.67 -0.51 -0.54 0.00 0.00 174.62 173.90 2k0f s ILE 59 N -2.32 4.93 0.40 2.99 2.07 -1.22 -4.84 121.20 123.20 2k0f s ILE 59 Ca 0.27 1.40 0.04 0.00 -1.41 0.00 0.00 60.65 60.96 2k0f s ILE 59 Cb -0.06 -4.01 0.04 0.00 0.13 0.00 0.00 42.46 38.56 2k0f s ILE 59 CO 0.13 0.34 0.36 0.47 -1.91 0.00 0.00 174.94 174.33 2k0f n ASP 60 N 3.18 2.10 0.00 4.50 9.92 -1.26 -2.67 116.55 132.33 2k0f n ASP 60 Ca -0.04 -2.30 -0.13 0.00 -0.53 0.00 0.00 54.79 51.79 2k0f n ASP 60 Cb 0.51 -0.09 -0.09 0.00 -0.64 0.00 0.00 41.12 40.81 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2k0f h PHE 61 N 0.50 -0.01 0.00 1.24 3.57 -1.99 -1.77 116.94 118.48 2k0f h PHE 61 Ca -0.24 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.26 2k0f h PHE 61 Cb 0.91 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.65 2k0f h PHE 61 CO 0.00 0.34 0.00 -2.30 -2.23 0.00 0.00 178.31 174.12 2k0f n PRO 62 N -4.93 0.06 -0.09 6.41 -0.02 -1.26 -1.71 135.00 133.46 2k0f n PRO 62 Ca -0.08 0.37 -0.07 0.00 -2.02 0.00 0.00 63.50 61.70 2k0f n PRO 62 Cb 0.19 -1.63 -0.16 0.00 -0.02 0.00 0.00 33.50 31.88 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k0f n GLU 63 N -1.74 0.70 -0.13 -0.52 1.02 -1.00 -2.38 120.64 116.59 2k0f n GLU 63 Ca 0.02 -0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 2k0f n GLU 63 Cb 0.14 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.04 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 0.00 0.59 -0.74 -0.32 3.57 -1.12 -3.05 116.94 115.87 2k0f h PHE 64 Ca -0.47 -0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.16 2k0f h PHE 64 Cb 2.07 -0.18 -0.11 0.00 2.79 0.00 0.00 35.95 40.52 2k0f h PHE 64 CO 0.00 0.50 0.14 -0.07 -2.23 0.00 0.00 178.31 176.65 2k0f h LEU 65 N 0.50 -0.08 -0.59 0.59 3.38 -1.38 0.20 115.31 117.93 2k0f h LEU 65 Ca 0.14 0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.38 2k0f h LEU 65 Cb 0.15 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 41.01 2k0f h LEU 65 CO -0.01 -0.08 -0.17 0.74 0.09 0.00 0.00 178.44 179.01 2k0f h THR 66 N 0.22 0.37 0.48 0.22 2.02 -1.36 0.24 112.91 115.11 2k0f h THR 66 Ca 0.41 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.57 2k0f h THR 66 Cb 0.72 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2k0f h THR 66 CO -0.55 0.00 -0.25 -0.03 0.37 0.00 0.00 175.52 175.06 2k0f h MET 67 N -0.02 -0.65 -0.18 6.66 1.85 -1.52 -3.36 114.93 117.71 2k0f h MET 67 Ca 0.28 0.04 -0.13 0.00 -0.61 0.00 0.00 59.70 59.29 2k0f h MET 67 Cb 0.46 0.15 0.00 0.00 0.43 0.00 0.00 31.60 32.63 2k0f h MET 67 CO -0.62 -0.43 -0.40 1.98 -0.40 0.00 0.00 176.91 177.03 2k0f h MET 68 N -0.67 0.58 -0.50 0.39 -1.53 -0.28 -3.28 114.93 109.65 2k0f h MET 68 Ca -0.07 -0.39 0.00 0.00 -3.44 0.00 0.00 59.70 55.80 2k0f h MET 68 Cb 0.52 0.06 0.00 0.00 -0.55 0.00 0.00 31.60 31.63 2k0f h MET 68 CO 0.09 1.01 0.00 0.00 0.14 0.00 0.00 176.91 178.15 2k0f n ALA 69 N -2.52 2.41 -2.16 0.39 0.00 0.78 -4.83 120.51 114.57 2k0f n ALA 69 Ca -0.06 -1.09 -0.42 0.00 0.00 0.00 0.00 53.44 51.86 2k0f n ALA 69 Cb 0.54 -0.89 -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 -1.34 4.27 0.50 0.00 3.52 -1.24 -5.04 118.95 119.62 2k0f s ARG 70 Ca 0.42 2.04 -0.18 0.00 -0.13 0.00 0.00 55.73 57.89 2k0f s ARG 70 Cb 0.24 -3.54 -0.09 0.00 -1.56 0.00 0.00 34.95 30.00 2k0f s ARG 70 CO 0.32 -0.59 0.98 0.15 -0.81 0.00 0.00 175.30 175.35 2k0f s LYS 71 N 2.31 4.00 0.04 5.12 1.02 -1.26 -5.05 119.74 125.92 2k0f s LYS 71 Ca 0.66 1.00 0.00 0.00 0.02 0.00 0.00 55.97 57.65 2k0f s LYS 71 Cb -0.33 -2.14 -0.00 0.00 -0.52 0.00 0.00 37.83 34.83 2k0f s LYS 71 CO 0.28 -0.23 0.01 -1.33 -0.92 0.00 0.00 175.35 173.17 2k0f n MET 72 N -1.38 0.96 -1.72 1.68 2.81 -1.26 -5.16 117.12 113.06 2k0f n MET 72 Ca 0.07 -0.38 -0.29 0.00 -1.81 0.00 0.00 57.70 55.29 2k0f n MET 72 Cb 0.54 0.20 0.11 0.00 -0.71 0.00 0.00 33.22 33.35 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k0f s LYS 73 N -2.17 1.68 0.29 0.03 1.02 -1.26 -4.94 119.74 114.39 2k0f s LYS 73 Ca 0.02 0.25 -0.02 0.00 0.02 0.00 0.00 55.97 56.24 2k0f s LYS 73 Cb 0.00 -1.91 0.42 0.00 -0.52 0.00 0.00 37.83 35.82 2k0f s LYS 73 CO 0.01 -1.82 1.90 -0.44 -0.92 0.00 0.00 175.35 174.09 2k0f h ASP 74 N -1.22 0.88 -0.42 2.83 3.32 -2.01 -2.85 116.42 116.94 2k0f h ASP 74 Ca -0.48 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.50 2k0f h ASP 74 Cb 1.32 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 2k0f h ASP 74 CO 0.64 0.73 0.27 0.71 -1.72 0.00 0.00 179.24 179.86 2k0f h THR 75 N 0.99 1.08 -0.50 0.35 1.35 -2.00 -1.27 112.91 112.90 2k0f h THR 75 Ca 0.25 -0.19 0.08 0.00 -0.55 0.00 0.00 66.41 66.00 2k0f h THR 75 Cb 0.06 0.49 -0.03 0.00 -1.73 0.00 0.00 68.15 66.94 2k0f h THR 75 CO -0.04 0.10 0.34 0.44 -0.25 0.00 0.00 175.52 176.11 2k0f h ASP 76 N 0.54 0.32 0.23 5.36 3.32 -1.93 0.22 116.42 124.47 2k0f h ASP 76 Ca 0.16 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2k0f h ASP 76 Cb -0.03 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2k0f h ASP 76 CO -0.05 0.20 -0.31 -1.28 -1.72 0.00 0.00 179.24 176.08 2k0f h SER 77 N 0.36 -0.89 -0.66 6.45 0.87 -0.99 0.78 113.55 119.47 2k0f h SER 77 Ca 0.23 0.08 0.14 0.00 -1.23 0.00 0.00 61.79 61.01 2k0f h SER 77 Cb 0.43 0.31 -0.12 0.00 -0.44 0.00 0.00 62.40 62.58 2k0f h SER 77 CO -0.06 -0.38 -0.05 -0.33 -0.53 0.00 0.00 176.83 175.48 2k0f h GLU 78 N -0.56 0.07 0.00 2.24 5.08 -1.25 -1.85 114.58 118.32 2k0f h GLU 78 Ca -0.03 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 2k0f h GLU 78 Cb 0.51 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2k0f h GLU 78 CO -0.09 0.05 -0.55 1.49 -1.00 0.00 0.00 179.01 178.91 2k0f h GLU 79 N 0.08 0.00 -0.29 2.33 4.81 -0.85 0.13 114.58 120.78 2k0f h GLU 79 Ca 0.34 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.53 2k0f h GLU 79 Cb 0.56 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2k0f h GLU 79 CO -0.61 0.55 -0.00 1.49 -0.73 0.00 0.00 179.01 179.71 2k0f h GLU 80 N 0.00 0.52 -0.16 1.92 4.81 -0.59 -2.63 114.58 118.45 2k0f h GLU 80 Ca -0.01 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 58.95 2k0f h GLU 80 Cb 1.15 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2k0f h GLU 80 CO 0.07 0.67 -0.33 0.82 -0.73 0.00 0.00 179.01 179.51 2k0f h ILE 81 N 0.31 1.35 -0.36 2.32 2.04 -1.15 -2.69 117.51 119.33 2k0f h ILE 81 Ca 0.08 -1.58 0.07 0.00 1.00 0.00 0.00 64.86 64.43 2k0f h ILE 81 Cb 0.44 1.96 -0.09 0.00 -0.74 0.00 0.00 36.82 38.39 2k0f h ILE 81 CO 0.02 0.48 -0.35 -0.09 0.00 0.00 0.00 178.15 178.21 2k0f h ARG 82 N 0.15 -0.28 0.00 2.37 2.43 -0.79 -0.16 114.38 118.10 2k0f h ARG 82 Ca 0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2k0f h ARG 82 Cb 0.93 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2k0f h ARG 82 CO 0.07 -0.19 -0.07 0.93 -1.51 0.00 0.00 179.97 179.21 2k0f h GLU 83 N -0.29 0.00 0.00 0.20 4.39 -1.55 -2.02 114.58 115.32 2k0f h GLU 83 Ca 0.16 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 2k0f h GLU 83 Cb 0.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2k0f h GLU 83 CO -0.52 0.07 -0.42 0.00 -1.16 0.00 0.00 179.01 176.98 2k0f h ALA 84 N 1.93 1.18 -0.75 3.43 0.00 -0.72 -2.79 119.26 121.53 2k0f h ALA 84 Ca -0.00 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.56 2k0f h ALA 84 Cb 0.38 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2k0f h ALA 84 CO 0.01 0.53 0.49 0.35 0.00 0.00 0.00 179.25 180.63 2k0f h PHE 85 N 0.00 0.88 -0.16 0.00 3.57 -0.45 -3.06 116.94 117.71 2k0f h PHE 85 Ca -0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2k0f h PHE 85 Cb 0.81 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 2k0f h PHE 85 CO 0.00 0.51 -0.13 -0.09 -2.23 0.00 0.00 178.31 176.37 2k0f h ARG 86 N 0.91 0.26 0.04 1.11 2.43 -1.53 0.57 114.38 118.16 2k0f h ARG 86 Ca 0.30 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 59.19 2k0f h ARG 86 Cb 0.06 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2k0f h ARG 86 CO -0.09 0.39 -1.02 0.28 -1.51 0.00 0.00 179.97 178.03 2k0f h VAL 87 N 0.24 1.55 0.25 0.20 2.07 -1.63 -3.35 116.25 115.58 2k0f h VAL 87 Ca 0.05 -2.94 -0.01 0.00 0.82 0.00 0.00 66.70 64.62 2k0f h VAL 87 Cb 0.38 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2k0f h VAL 87 CO 0.02 0.85 -0.12 -0.26 0.02 0.00 0.00 177.57 178.08 2k0f h PHE 88 N 0.07 -0.31 -2.73 1.57 0.04 -1.12 -3.43 116.94 111.03 2k0f h PHE 88 Ca -0.06 -0.01 -0.56 0.00 2.80 0.00 0.00 57.97 60.14 2k0f h PHE 88 Cb 1.71 0.10 -0.02 0.00 2.20 0.00 0.00 35.95 39.94 2k0f h PHE 88 CO 0.03 0.06 1.06 0.34 -0.60 0.00 0.00 178.31 179.20 2k0f s ASP 89 N -5.22 6.63 -0.09 2.17 2.15 0.06 -4.62 116.67 117.75 2k0f s ASP 89 Ca -0.14 1.91 -0.16 0.00 0.43 0.00 0.00 52.55 54.60 2k0f s ASP 89 Cb 0.02 -2.53 -0.28 0.00 -0.30 0.00 0.00 42.92 39.82 2k0f s ASP 89 CO 0.52 -1.00 0.61 0.50 -0.17 0.00 0.00 175.17 175.63 2k0f h LYS 90 N 9.63 0.27 0.13 4.34 3.64 -1.83 -3.35 116.57 129.40 2k0f h LYS 90 Ca -0.35 -0.46 -0.33 0.00 -1.27 0.00 0.00 60.65 58.24 2k0f h LYS 90 Cb 1.15 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 2k0f h LYS 90 CO 0.97 1.22 -1.67 0.38 -2.27 0.00 0.00 179.45 178.08 2k0f h ASP 91 N -0.25 0.43 -0.81 4.20 2.03 -1.93 -3.49 116.42 116.59 2k0f h ASP 91 Ca -0.29 -0.66 0.00 0.00 -0.73 0.00 0.00 57.03 55.34 2k0f h ASP 91 Cb 1.80 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 40.16 2k0f h ASP 91 CO 0.09 1.56 0.00 0.61 -1.03 0.00 0.00 179.24 180.47 2k0f n GLY 92 N 1.76 0.87 0.01 7.15 0.00 -1.26 -5.07 105.19 108.65 2k0f n GLY 92 Ca -0.21 -0.67 0.03 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.39 2.72 0.00 1.61 6.94 -1.26 -5.01 115.26 119.87 2k0f n ASN 93 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2k0f n ASN 93 Cb 0.14 1.33 0.00 0.00 -2.36 0.00 0.00 39.78 38.89 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 2.02 1.68 3.64 4.83 0.00 -1.26 -5.12 105.19 110.97 2k0f n GLY 94 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.84 -0.94 -0.36 1.61 2.02 -1.26 -4.09 117.35 112.50 2k0f s TYR 95 Ca 0.00 1.99 -0.18 0.00 -0.37 0.00 0.00 57.07 58.51 2k0f s TYR 95 Cb 0.00 0.50 -0.00 0.00 -0.40 0.00 0.00 41.96 42.06 2k0f s TYR 95 CO 0.00 -0.46 0.49 0.42 -1.57 0.00 0.00 175.55 174.43 2k0f s ILE 96 N 1.19 5.03 0.72 2.71 1.01 -0.61 -4.65 121.20 126.61 2k0f s ILE 96 Ca -0.06 0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.85 2k0f s ILE 96 Cb -0.05 -3.96 0.14 0.00 0.01 0.00 0.00 42.46 38.60 2k0f s ILE 96 CO -0.13 -0.23 0.99 -0.94 0.00 0.00 0.00 174.94 174.63 2k0f s SER 97 N 1.77 4.35 0.22 3.58 1.04 -1.26 -1.44 113.70 121.95 2k0f s SER 97 Ca 0.17 -0.56 0.07 0.00 0.48 0.00 0.00 55.95 56.11 2k0f s SER 97 Cb -0.16 0.24 0.16 0.00 0.10 0.00 0.00 66.02 66.36 2k0f s SER 97 CO 0.13 -1.88 1.49 0.00 0.98 0.00 0.00 173.24 173.97 2k0f h ALA 98 N -0.47 0.75 -0.23 5.32 0.00 -1.99 -2.82 119.26 119.81 2k0f h ALA 98 Ca -0.34 -0.65 -0.09 0.00 0.00 0.00 0.00 54.91 53.84 2k0f h ALA 98 Cb 1.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2k0f h ALA 98 CO 0.38 0.86 -0.21 0.00 0.00 0.00 0.00 179.25 180.28 2k0f h ALA 99 N 1.18 0.34 -0.91 0.00 0.00 -1.97 -0.89 119.26 117.02 2k0f h ALA 99 Ca -0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2k0f h ALA 99 Cb 1.29 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2k0f h ALA 99 CO 0.10 0.29 0.51 0.93 0.00 0.00 0.00 179.25 181.08 2k0f h GLU 100 N 0.25 1.25 -0.18 0.00 5.08 -1.84 0.88 114.58 120.02 2k0f h GLU 100 Ca 0.04 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 2k0f h GLU 100 Cb 0.76 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2k0f h GLU 100 CO 0.05 0.91 -0.27 1.25 -1.00 0.00 0.00 179.01 179.95 2k0f h LEU 101 N 1.26 0.55 -1.05 1.33 5.85 -1.47 -2.25 115.31 119.53 2k0f h LEU 101 Ca 0.32 -0.52 0.12 0.00 0.84 0.00 0.00 57.88 58.64 2k0f h LEU 101 Cb 0.01 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.80 2k0f h LEU 101 CO -0.05 0.97 0.62 0.03 -0.34 0.00 0.00 178.44 179.67 2k0f h ARG 102 N 0.16 0.93 -0.83 1.25 3.08 -0.92 -3.10 114.38 114.95 2k0f h ARG 102 Ca 0.02 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2k0f h ARG 102 Cb 0.85 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 2k0f h ARG 102 CO 0.06 0.62 0.51 0.45 -1.07 0.00 0.00 179.97 180.54 2k0f h HIS 103 N 0.96 1.08 0.00 3.04 3.86 0.10 -2.89 115.15 121.31 2k0f h HIS 103 Ca 0.49 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.52 2k0f h HIS 103 Cb 0.50 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 2k0f h HIS 103 CO -0.00 0.72 -0.92 -0.24 0.86 0.00 0.00 177.93 178.34 2k0f h VAL 104 N 1.14 1.37 -0.13 2.45 3.04 -1.37 -1.69 116.25 121.07 2k0f h VAL 104 Ca 0.30 -2.99 -0.18 0.00 -1.01 0.00 0.00 66.70 62.82 2k0f h VAL 104 Cb -0.06 2.67 -0.00 0.00 -2.01 0.00 0.00 31.29 31.89 2k0f h VAL 104 CO -0.06 0.78 -0.68 0.24 -1.01 0.00 0.00 177.57 176.84 2k0f h MET 105 N 0.00 0.53 0.02 4.17 2.07 -1.59 -1.85 114.93 118.28 2k0f h MET 105 Ca -0.03 -0.40 -0.00 0.00 -2.07 0.00 0.00 59.70 57.20 2k0f h MET 105 Cb 1.67 0.07 0.00 0.00 -1.87 0.00 0.00 31.60 31.47 2k0f h MET 105 CO 0.11 1.02 -0.01 1.15 1.07 0.00 0.00 176.91 180.25 2k0f h THR 106 N 0.38 1.35 -0.75 2.22 2.02 -1.33 -0.26 112.91 116.53 2k0f h THR 106 Ca -0.02 -1.15 0.15 0.00 0.77 0.00 0.00 66.41 66.16 2k0f h THR 106 Cb 1.26 2.12 -0.10 0.00 -1.74 0.00 0.00 68.15 69.68 2k0f h THR 106 CO 0.13 0.29 0.24 -1.13 0.37 0.00 0.00 175.52 175.42 2k0f h ASN 107 N -0.52 0.15 -0.23 4.18 -0.00 -1.28 -1.69 115.58 116.19 2k0f h ASN 107 Ca -0.00 0.13 0.00 0.00 -0.00 0.00 0.00 56.30 56.43 2k0f h ASN 107 Cb 0.50 0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.96 2k0f h ASN 107 CO 0.00 0.03 0.00 0.18 -0.00 0.00 0.00 177.43 177.64 2k0f n LEU 108 N -5.08 1.56 -0.06 0.34 4.77 -0.70 -4.93 117.00 112.90 2k0f n LEU 108 Ca 0.14 -0.72 -0.01 0.00 -0.03 0.00 0.00 56.01 55.40 2k0f n LEU 108 Cb 0.44 -0.15 -0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2k0f n LEU 108 CO 0.15 0.36 -0.01 0.61 -1.33 0.00 0.00 177.39 177.18 2k0f n GLY 109 N 1.04 0.46 3.67 -0.72 0.00 -0.60 -4.94 105.19 104.09 2k0f n GLY 109 Ca 0.13 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.76 4.24 -0.94 1.61 0.41 -0.21 -4.99 118.70 118.06 2k0f s GLU 110 Ca 0.00 1.79 -0.06 0.00 -0.41 0.00 0.00 54.97 56.30 2k0f s GLU 110 Cb 0.00 -3.76 0.24 0.00 -1.78 0.00 0.00 34.13 28.83 2k0f s GLU 110 CO 0.00 -0.69 0.87 -1.59 -0.49 0.00 0.00 175.26 173.36 2k0f s LYS 111 N 3.31 3.57 0.15 1.61 -2.85 -1.26 -4.32 119.74 119.96 2k0f s LYS 111 Ca 0.59 -3.12 0.05 0.00 -1.00 0.00 0.00 55.97 52.49 2k0f s LYS 111 Cb -0.25 -4.19 -0.04 0.00 -2.06 0.00 0.00 37.83 31.29 2k0f s LYS 111 CO 0.20 -1.25 0.11 -0.51 0.10 0.00 0.00 175.35 174.00 2k0f s LEU 112 N -1.07 3.75 0.49 2.77 1.43 -1.26 -5.11 118.68 119.67 2k0f s LEU 112 Ca 0.27 -0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 53.02 2k0f s LEU 112 Cb -0.10 -2.37 -0.08 0.00 0.03 0.00 0.00 46.19 43.67 2k0f s LEU 112 CO -0.10 0.08 1.06 0.42 0.23 0.00 0.00 176.35 178.04 2k0f s THR 113 N -1.70 3.66 0.25 5.49 -4.23 -1.26 -4.94 115.64 112.91 2k0f s THR 113 Ca 0.30 1.06 -0.05 0.00 -1.18 0.00 0.00 61.69 61.82 2k0f s THR 113 Cb -0.10 -3.44 0.24 0.00 1.34 0.00 0.00 72.50 70.54 2k0f s THR 113 CO 0.23 -0.20 1.67 -0.78 -0.54 0.00 0.00 174.62 175.00 2k0f h ASP 114 N 1.59 -0.07 -0.63 3.99 3.58 -2.00 -2.09 116.42 120.80 2k0f h ASP 114 Ca -0.49 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2k0f h ASP 114 Cb 1.23 0.23 -0.03 0.00 1.72 0.00 0.00 39.33 42.48 2k0f h ASP 114 CO 0.59 -0.08 0.39 -0.08 -2.88 0.00 0.00 179.24 177.18 2k0f h GLU 115 N 0.22 0.84 -0.22 0.28 4.81 -2.00 -2.23 114.58 116.28 2k0f h GLU 115 Ca 0.42 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.46 2k0f h GLU 115 Cb 0.73 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2k0f h GLU 115 CO -0.55 0.58 -0.39 1.49 -0.73 0.00 0.00 179.01 179.41 2k0f h GLU 116 N 0.85 0.51 -0.63 1.92 4.81 -1.81 -0.88 114.58 119.34 2k0f h GLU 116 Ca 0.23 -0.25 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 2k0f h GLU 116 Cb -0.05 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.27 2k0f h GLU 116 CO -0.04 0.82 0.33 0.28 -0.73 0.00 0.00 179.01 179.67 2k0f h VAL 117 N 0.42 0.93 -0.74 0.32 2.07 -1.05 -1.86 116.25 116.34 2k0f h VAL 117 Ca 0.04 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2k0f h VAL 117 Cb 0.88 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 2k0f h VAL 117 CO 0.07 0.11 0.42 0.44 0.02 0.00 0.00 177.57 178.64 2k0f h ASP 118 N 0.61 0.91 -0.84 0.57 3.32 -1.28 -2.40 116.42 117.31 2k0f h ASP 118 Ca 0.29 -0.09 0.17 0.00 0.02 0.00 0.00 57.03 57.43 2k0f h ASP 118 Cb 0.22 -0.23 -0.11 0.00 0.22 0.00 0.00 39.33 39.43 2k0f h ASP 118 CO -0.20 0.73 0.39 -0.33 -1.72 0.00 0.00 179.24 178.11 2k0f h GLU 119 N 1.02 0.49 -0.03 3.56 4.39 -0.74 -0.52 114.58 122.75 2k0f h GLU 119 Ca 0.26 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.77 2k0f h GLU 119 Cb 0.01 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2k0f h GLU 119 CO -0.04 0.32 -0.72 0.52 -1.16 0.00 0.00 179.01 177.92 2k0f h MET 120 N 0.50 0.17 -0.23 2.33 2.86 -0.88 -1.10 114.93 118.58 2k0f h MET 120 Ca 0.49 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 2k0f h MET 120 Cb 0.79 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 2k0f h MET 120 CO -0.43 0.82 0.14 0.82 1.06 0.00 0.00 176.91 179.32 2k0f h ILE 121 N 0.11 1.05 -1.00 -1.22 1.08 -0.79 -2.59 117.51 114.14 2k0f h ILE 121 Ca -0.02 -0.10 0.16 0.00 -0.39 0.00 0.00 64.86 64.51 2k0f h ILE 121 Cb 1.28 0.72 -0.10 0.00 -3.07 0.00 0.00 36.82 35.66 2k0f h ILE 121 CO 0.11 0.05 0.62 0.03 -0.69 0.00 0.00 178.15 178.27 2k0f h ARG 122 N 0.30 0.83 -0.13 2.37 3.08 -0.67 -1.03 114.38 119.12 2k0f h ARG 122 Ca 0.09 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.13 2k0f h ARG 122 Cb -0.02 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 29.79 2k0f h ARG 122 CO -0.03 0.55 -0.21 1.49 -1.07 0.00 0.00 179.97 180.70 2k0f h GLU 123 N 0.86 -0.26 -0.19 0.04 4.81 -0.94 -3.18 114.58 115.71 2k0f h GLU 123 Ca 0.54 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.74 2k0f h GLU 123 Cb 0.74 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2k0f h GLU 123 CO -0.33 -0.17 -0.09 0.00 -0.73 0.00 0.00 179.01 177.68 2k0f h ALA 124 N 0.72 0.27 -1.72 2.92 0.00 -0.95 -3.44 119.26 117.06 2k0f h ALA 124 Ca 0.10 -0.29 -0.61 0.00 0.00 0.00 0.00 54.91 54.11 2k0f h ALA 124 Cb 0.41 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k0f h ALA 124 CO -0.28 0.10 1.45 -3.47 0.00 0.00 0.00 179.25 177.05 2k0f n ASP 125 N -4.57 2.94 -0.00 0.00 -0.08 -0.48 -4.86 116.55 109.51 2k0f n ASP 125 Ca -0.05 0.32 -0.08 0.00 -1.51 0.00 0.00 54.79 53.46 2k0f n ASP 125 Cb 0.32 -1.46 -0.07 0.00 2.34 0.00 0.00 41.12 42.26 2k0f n ASP 125 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2k0f h ILE 126 N 7.02 0.81 -0.15 5.18 2.04 -1.86 -3.39 117.51 127.16 2k0f h ILE 126 Ca -0.37 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.08 2k0f h ILE 126 Cb 1.27 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 2k0f h ILE 126 CO 0.98 0.25 0.00 0.44 0.00 0.00 0.00 178.15 179.82 2k0f h ASP 127 N -0.95 0.25 -0.17 1.72 3.32 -1.93 -3.47 116.42 115.19 2k0f h ASP 127 Ca -0.01 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2k0f h ASP 127 Cb 0.49 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2k0f h ASP 127 CO 0.02 0.50 0.00 0.61 -1.72 0.00 0.00 179.24 178.65 2k0f n GLY 128 N -0.30 0.97 0.00 2.75 0.00 -1.26 -5.02 105.19 102.33 2k0f n GLY 128 Ca -0.05 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 0.22 0.96 0.00 1.61 5.75 -1.26 -4.99 116.55 118.84 2k0f n ASP 129 Ca 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 54.79 54.24 2k0f n ASP 129 Cb 0.08 1.28 0.00 0.00 -1.03 0.00 0.00 41.12 41.45 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 1.45 0.67 3.69 6.12 0.00 -1.26 -5.06 105.19 110.80 2k0f n GLY 130 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.77 2.49 -0.26 1.61 -0.21 -1.26 -4.50 119.66 116.75 2k0f s GLN 131 Ca 0.00 -1.08 -0.01 0.00 0.02 0.00 0.00 55.36 54.29 2k0f s GLN 131 Cb 0.00 -2.40 0.04 0.00 1.00 0.00 0.00 33.01 31.65 2k0f s GLN 131 CO 0.00 0.46 -0.06 0.08 -2.12 0.00 0.00 175.29 173.64 2k0f s VAL 132 N -1.76 2.70 0.86 1.09 1.01 -0.52 -4.83 120.40 118.94 2k0f s VAL 132 Ca 0.28 -1.25 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 2k0f s VAL 132 Cb -0.09 -2.45 0.16 0.00 0.00 0.00 0.00 36.38 34.00 2k0f s VAL 132 CO 0.19 0.09 1.19 0.54 0.00 0.00 0.00 175.10 177.11 2k0f s ASN 133 N 1.26 3.69 0.16 3.32 2.20 -1.26 -1.57 114.94 122.73 2k0f s ASN 133 Ca -0.03 0.08 -0.15 0.00 -0.94 0.00 0.00 52.86 51.82 2k0f s ASN 133 Cb -0.18 -0.29 0.04 0.00 -2.00 0.00 0.00 41.25 38.82 2k0f s ASN 133 CO -0.04 -2.34 1.78 1.88 -2.94 0.00 0.00 177.10 175.44 2k0f h TYR 134 N -1.18 0.63 -0.25 1.54 0.05 -1.99 -3.11 116.97 112.67 2k0f h TYR 134 Ca -0.42 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.33 2k0f h TYR 134 Cb 1.25 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.78 2k0f h TYR 134 CO -0.69 0.45 0.03 0.93 -1.05 0.00 0.00 178.16 177.84 2k0f h GLU 135 N 0.63 0.42 -0.40 4.88 5.08 -1.95 0.22 114.58 123.45 2k0f h GLU 135 Ca 0.17 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 2k0f h GLU 135 Cb 0.01 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2k0f h GLU 135 CO -0.03 0.55 -0.17 1.05 -1.00 0.00 0.00 179.01 179.41 2k0f h GLU 136 N 0.22 0.76 0.31 2.33 4.11 -1.95 -0.60 114.58 119.76 2k0f h GLU 136 Ca 0.07 -0.28 -0.00 0.00 0.07 0.00 0.00 59.36 59.22 2k0f h GLU 136 Cb 0.35 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2k0f h GLU 136 CO 0.01 0.89 -0.43 0.35 0.07 0.00 0.00 179.01 179.89 2k0f h PHE 137 N 0.68 -1.22 -0.40 2.06 3.57 -1.50 -2.35 116.94 117.77 2k0f h PHE 137 Ca 0.10 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.65 2k0f h PHE 137 Cb 0.67 0.49 -0.04 0.00 2.79 0.00 0.00 35.95 39.86 2k0f h PHE 137 CO 0.03 -0.54 0.19 0.28 -2.23 0.00 0.00 178.31 176.04 2k0f h VAL 138 N -0.77 0.96 0.00 1.41 2.07 -0.43 -2.57 116.25 116.92 2k0f h VAL 138 Ca -0.04 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2k0f h VAL 138 Cb 0.70 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2k0f h VAL 138 CO -0.12 0.07 -0.10 -0.61 0.02 0.00 0.00 177.57 176.84 2k0f h GLN 139 N 0.39 0.00 -0.01 1.57 4.15 -1.06 0.18 115.11 120.34 2k0f h GLN 139 Ca 0.17 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.47 2k0f h GLN 139 Cb 0.09 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.79 2k0f h GLN 139 CO -0.13 0.10 -0.49 1.98 -1.93 0.00 0.00 178.83 178.36 2k0f h MET 140 N 0.00 0.35 0.00 1.69 4.05 -1.20 -3.35 114.93 116.47 2k0f h MET 140 Ca -0.00 -0.36 -0.12 0.00 -0.28 0.00 0.00 59.70 58.94 2k0f h MET 140 Cb 0.28 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 2k0f h MET 140 CO 0.01 1.04 -0.58 0.52 0.23 0.00 0.00 176.91 178.13 2k0f h MET 141 N -0.20 0.00 0.00 0.39 2.86 -0.33 -3.51 114.93 114.14 2k0f h MET 141 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2k0f h MET 141 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2k0f h MET 141 CO 0.10 0.58 0.00 0.25 1.06 0.00 0.00 176.91 178.90