#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 0.14 -2.82 3.07 -2.05 0.14 114.58 113.07 2k0f h GLU 2 Ca 0.00 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.59 2k0f h GLU 2 Cb 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 27.94 2k0f h GLU 2 CO 0.00 0.00 -1.16 0.93 -1.40 0.00 0.00 179.01 177.38 2k0f h GLU 3 N 0.00 0.53 0.06 2.33 4.39 -2.04 -2.96 114.58 116.89 2k0f h GLU 3 Ca 0.07 -0.77 -0.27 0.00 0.34 0.00 0.00 59.36 58.74 2k0f h GLU 3 Cb 0.29 0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2k0f h GLU 3 CO -0.00 1.35 -1.33 1.96 -1.16 0.00 0.00 179.01 179.83 2k0f h GLN 4 N 0.09 0.14 -0.27 2.33 7.50 -1.55 0.58 115.11 123.93 2k0f h GLN 4 Ca -0.19 -0.23 -0.06 0.00 0.50 0.00 0.00 58.65 58.67 2k0f h GLN 4 Cb 1.87 0.09 -0.02 0.00 0.05 0.00 0.00 27.48 29.47 2k0f h GLN 4 CO 0.22 1.01 -0.08 0.82 -1.50 0.00 0.00 178.83 179.30 2k0f h ILE 5 N 0.04 1.20 0.11 2.54 1.08 -0.92 0.41 117.51 121.97 2k0f h ILE 5 Ca -0.15 -0.85 -0.28 0.00 -0.39 0.00 0.00 64.86 63.18 2k0f h ILE 5 Cb 1.93 1.08 -0.00 0.00 -3.07 0.00 0.00 36.82 36.76 2k0f h ILE 5 CO 0.15 0.28 -1.36 0.00 -0.69 0.00 0.00 178.15 176.52 2k0f h ALA 6 N 1.52 0.21 -0.12 1.87 0.00 -1.32 -2.21 119.26 119.21 2k0f h ALA 6 Ca 0.08 -1.00 -0.01 0.00 0.00 0.00 0.00 54.91 53.98 2k0f h ALA 6 Cb 0.39 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2k0f h ALA 6 CO 0.02 1.09 0.05 1.49 0.00 0.00 0.00 179.25 181.90 2k0f h GLU 7 N 0.06 0.17 0.00 0.00 4.81 0.36 0.40 114.58 120.39 2k0f h GLU 7 Ca -0.18 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 2k0f h GLU 7 Cb 1.98 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.32 2k0f h GLU 7 CO 0.18 0.25 -0.15 0.74 -0.73 0.00 0.00 179.01 179.29 2k0f h PHE 8 N 0.05 0.00 -0.16 0.92 0.04 -0.98 -1.84 116.94 114.97 2k0f h PHE 8 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2k0f h PHE 8 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 2k0f h PHE 8 CO -0.02 0.15 0.10 -0.22 -0.60 0.00 0.00 178.31 177.72 2k0f h LYS 9 N 0.00 0.21 -0.94 1.51 3.64 -1.16 -0.82 116.57 119.01 2k0f h LYS 9 Ca -0.00 -0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.53 2k0f h LYS 9 Cb 0.90 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.59 2k0f h LYS 9 CO 0.02 0.15 0.60 0.93 -2.27 0.00 0.00 179.45 178.88 2k0f h GLU 10 N 0.20 0.67 0.04 1.90 4.39 -0.34 0.20 114.58 121.65 2k0f h GLU 10 Ca 0.06 -0.04 -0.26 0.00 0.34 0.00 0.00 59.36 59.46 2k0f h GLU 10 Cb -0.01 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.50 2k0f h GLU 10 CO -0.01 0.44 -1.06 0.00 -1.16 0.00 0.00 179.01 177.22 2k0f h ALA 11 N 1.61 0.21 -0.75 3.43 0.00 -1.21 -3.01 119.26 119.54 2k0f h ALA 11 Ca 0.50 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2k0f h ALA 11 Cb 0.84 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2k0f h ALA 11 CO -0.26 0.78 0.36 0.35 0.00 0.00 0.00 179.25 180.49 2k0f h PHE 12 N 0.26 1.06 -0.84 0.00 3.57 -0.25 -2.57 116.94 118.17 2k0f h PHE 12 Ca -0.12 -0.04 0.13 0.00 3.53 0.00 0.00 57.97 61.47 2k0f h PHE 12 Cb 1.72 -0.33 -0.06 0.00 2.79 0.00 0.00 35.95 40.06 2k0f h PHE 12 CO 0.08 0.77 0.55 0.77 -2.23 0.00 0.00 178.31 178.25 2k0f h SER 13 N 1.06 0.60 -0.92 0.41 0.02 -0.54 -1.78 113.55 112.40 2k0f h SER 13 Ca 0.26 0.03 0.12 0.00 -0.84 0.00 0.00 61.79 61.36 2k0f h SER 13 Cb 0.10 -0.09 -0.08 0.00 0.14 0.00 0.00 62.40 62.47 2k0f h SER 13 CO -0.03 0.32 0.54 0.25 -1.14 0.00 0.00 176.83 176.76 2k0f h LEU 14 N 0.64 0.76 0.12 5.07 5.85 -1.33 -3.23 115.31 123.20 2k0f h LEU 14 Ca 0.41 0.06 -0.34 0.00 0.84 0.00 0.00 57.88 58.85 2k0f h LEU 14 Cb 0.69 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2k0f h LEU 14 CO -0.17 0.39 -1.85 -0.26 -0.34 0.00 0.00 178.44 176.21 2k0f h PHE 15 N 0.84 0.48 -3.34 1.25 -1.00 -1.48 -3.46 116.94 110.23 2k0f h PHE 15 Ca 0.46 -0.35 -0.58 0.00 2.81 0.00 0.00 57.97 60.32 2k0f h PHE 15 Cb 0.51 -0.02 -0.09 0.00 3.61 0.00 0.00 35.95 39.96 2k0f h PHE 15 CO -0.04 1.73 0.79 0.34 -1.61 0.00 0.00 178.31 179.52 2k0f s ASP 16 N -7.07 6.45 0.14 2.17 2.15 -0.76 -4.83 116.67 114.92 2k0f s ASP 16 Ca -0.22 0.02 0.23 0.00 0.43 0.00 0.00 52.55 53.01 2k0f s ASP 16 Cb 0.06 -2.50 0.01 0.00 -0.30 0.00 0.00 42.92 40.19 2k0f s ASP 16 CO 0.77 -1.31 1.02 0.29 -0.17 0.00 0.00 175.17 175.76 2k0f n LYS 17 N 7.88 0.52 0.00 4.34 4.76 -1.26 -4.01 118.16 130.38 2k0f n LYS 17 Ca 0.07 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2k0f n LYS 17 Cb 0.48 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 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 -2.45 0.00 0.00 4.39 8.00 -1.26 -5.01 116.55 120.23 2k0f n ASP 18 Ca 0.00 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.01 2k0f n ASP 18 Cb 0.52 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 1.47 1.56 0.19 0.44 0.00 -1.26 -5.05 105.19 102.55 2k0f n GLY 19 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.00 1.61 2.03 -1.95 -3.48 116.42 114.63 2k0f h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 20 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 20 CO 0.00 0.17 0.00 0.61 -1.03 0.00 0.00 179.24 178.99 2k0f n GLY 21 N 1.14 0.79 3.20 7.15 0.00 -1.26 -5.09 105.19 111.12 2k0f n GLY 21 Ca 0.03 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.00 1.38 -0.15 2.61 -4.23 -1.26 -3.16 115.64 108.83 2k0f s THR 22 Ca 0.00 -1.12 -0.05 0.00 -1.18 0.00 0.00 61.69 59.35 2k0f s THR 22 Cb 0.00 -1.23 -0.03 0.00 1.34 0.00 0.00 72.50 72.58 2k0f s THR 22 CO 0.00 0.09 0.01 -0.63 -0.54 0.00 0.00 174.62 173.54 2k0f s ILE 23 N -0.85 4.32 0.52 2.99 1.01 0.34 -4.84 121.20 124.69 2k0f s ILE 23 Ca 0.04 -0.21 0.06 0.00 0.00 0.00 0.00 60.65 60.54 2k0f s ILE 23 Cb -0.08 -2.90 0.03 0.00 0.01 0.00 0.00 42.46 39.51 2k0f s ILE 23 CO 0.02 0.50 0.41 0.42 0.00 0.00 0.00 174.94 176.29 2k0f s THR 24 N 0.13 1.85 0.23 2.92 -4.23 -1.26 -3.15 115.64 112.13 2k0f s THR 24 Ca 0.02 -1.46 -0.08 0.00 -1.18 0.00 0.00 61.69 58.99 2k0f s THR 24 Cb -0.13 -2.31 0.20 0.00 1.34 0.00 0.00 72.50 71.60 2k0f s THR 24 CO 0.02 0.00 1.69 0.71 -0.54 0.00 0.00 174.62 176.50 2k0f h THR 25 N 0.80 0.56 -0.26 3.99 1.35 -1.94 -2.72 112.91 114.67 2k0f h THR 25 Ca -0.37 -0.09 0.06 0.00 -0.55 0.00 0.00 66.41 65.46 2k0f h THR 25 Cb 1.29 0.29 -0.07 0.00 -1.73 0.00 0.00 68.15 67.94 2k0f h THR 25 CO 0.57 0.05 -0.19 0.50 -0.25 0.00 0.00 175.52 176.20 2k0f h LYS 26 N 0.25 -0.17 0.00 4.72 3.64 -1.98 0.16 116.57 123.19 2k0f h LYS 26 Ca 0.36 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.63 2k0f h LYS 26 Cb 0.59 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2k0f h LYS 26 CO -0.47 -0.11 -0.59 0.93 -2.27 0.00 0.00 179.45 176.94 2k0f h GLU 27 N -0.18 0.00 -0.04 1.90 5.08 -1.88 -1.42 114.58 118.04 2k0f h GLU 27 Ca 0.14 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 27 Cb 0.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 27 CO -0.37 0.59 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.13 2k0f h LEU 28 N 0.00 0.10 -0.85 1.33 3.38 -1.31 -3.19 115.31 114.78 2k0f h LEU 28 Ca -0.01 -0.46 0.08 0.00 0.09 0.00 0.00 57.88 57.58 2k0f h LEU 28 Cb 1.15 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.76 2k0f h LEU 28 CO 0.08 0.54 -0.57 1.23 0.09 0.00 0.00 178.44 179.80 2k0f h GLY 29 N -0.33 -0.91 0.82 0.83 0.00 -0.34 0.34 103.07 103.48 2k0f h GLY 29 Ca 0.01 0.79 0.08 0.00 0.00 0.00 0.00 47.33 48.21 2k0f h GLY 29 CO 0.01 -0.00 0.55 0.00 0.00 0.00 0.00 176.54 177.10 2k0f h THR 30 N -0.09 0.99 -0.04 4.70 1.03 -1.40 0.50 112.91 118.59 2k0f h THR 30 Ca 0.14 -0.30 -0.06 0.00 -0.01 0.00 0.00 66.41 66.18 2k0f h THR 30 Cb 0.45 0.05 0.00 0.00 -1.07 0.00 0.00 68.15 67.58 2k0f h THR 30 CO -0.85 0.16 -0.20 0.58 -0.01 0.00 0.00 175.52 175.21 2k0f h VAL 31 N 0.87 1.48 0.70 0.00 2.07 -1.32 -2.30 116.25 117.75 2k0f h VAL 31 Ca 0.39 -1.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 2k0f h VAL 31 Cb 0.35 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2k0f h VAL 31 CO -0.15 0.47 -0.33 0.24 0.02 0.00 0.00 177.57 177.81 2k0f h MET 32 N -0.37 -0.90 -0.78 1.57 2.86 -0.29 -2.86 114.93 114.16 2k0f h MET 32 Ca -0.01 0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.73 2k0f h MET 32 Cb 0.86 0.20 -0.05 0.00 0.06 0.00 0.00 31.60 32.68 2k0f h MET 32 CO 0.04 -0.59 0.49 -0.09 1.06 0.00 0.00 176.91 177.81 2k0f h ARG 33 N -0.96 0.90 -0.79 1.72 2.43 0.40 0.47 114.38 118.55 2k0f h ARG 33 Ca -0.10 -0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.12 2k0f h ARG 33 Cb 0.73 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.02 2k0f h ARG 33 CO 0.16 0.59 0.51 0.77 -1.51 0.00 0.00 179.97 180.50 2k0f h SER 34 N 0.93 0.63 0.14 -3.80 0.02 -1.42 -2.29 113.55 107.76 2k0f h SER 34 Ca 0.32 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 2k0f h SER 34 Cb 0.07 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2k0f h SER 34 CO -0.14 0.37 -0.07 0.25 -1.14 0.00 0.00 176.83 176.11 2k0f h LEU 35 N 0.70 -0.16 0.00 5.07 5.85 -1.18 -3.42 115.31 122.16 2k0f h LEU 35 Ca 0.37 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.09 2k0f h LEU 35 Cb 0.48 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2k0f h LEU 35 CO -0.14 0.05 0.00 0.61 -0.34 0.00 0.00 178.44 178.62 2k0f n GLY 36 N 0.93 -1.30 3.14 3.75 0.00 0.15 -5.02 105.19 106.84 2k0f n GLY 36 Ca -0.02 0.36 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 0.28 -0.45 1.61 0.74 -0.25 -4.92 119.66 116.67 2k0f s GLN 37 Ca 0.00 0.68 -0.09 0.00 0.05 0.00 0.00 55.36 56.00 2k0f s GLN 37 Cb 0.00 -0.05 0.11 0.00 1.10 0.00 0.00 33.01 34.17 2k0f s GLN 37 CO 0.00 -0.18 0.31 1.21 -0.55 0.00 0.00 175.29 176.09 2k0f s ASN 38 N 1.50 5.65 1.03 6.67 2.47 -1.26 -1.34 114.94 129.65 2k0f s ASN 38 Ca -0.08 -1.83 -0.17 0.00 0.42 0.00 0.00 52.86 51.20 2k0f s ASN 38 Cb -0.10 -1.99 0.23 0.00 -1.45 0.00 0.00 41.25 37.94 2k0f s ASN 38 CO -0.10 -0.65 1.29 -2.16 -3.72 0.00 0.00 177.10 171.76 2k0f s PRO 39 N 1.36 0.14 0.24 0.43 0.04 -1.26 -5.11 135.00 130.84 2k0f s PRO 39 Ca 0.05 -0.39 0.08 0.00 0.04 0.00 0.00 61.00 60.79 2k0f s PRO 39 Cb -0.25 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2k0f s PRO 39 CO -0.00 -2.76 0.09 0.95 0.04 0.00 0.00 177.00 175.32 2k0f s THR 40 N -3.73 3.98 0.12 1.26 -4.23 -1.26 -5.04 115.64 106.73 2k0f s THR 40 Ca 0.74 -1.58 -0.07 0.00 -1.18 0.00 0.00 61.69 59.61 2k0f s THR 40 Cb -0.04 -3.11 -0.18 0.00 1.34 0.00 0.00 72.50 70.50 2k0f s THR 40 CO 0.54 -0.31 1.29 -0.08 -0.54 0.00 0.00 174.62 175.52 2k0f h GLU 41 N 1.87 0.50 -0.74 3.99 4.57 -1.99 0.57 114.58 123.35 2k0f h GLU 41 Ca -0.47 -0.52 -0.05 0.00 -1.18 0.00 0.00 59.36 57.14 2k0f h GLU 41 Cb 1.24 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.94 2k0f h GLU 41 CO 0.60 1.16 0.25 0.00 -1.18 0.00 0.00 179.01 179.84 2k0f h ALA 42 N 0.67 0.97 0.48 2.92 0.00 -1.98 -1.00 119.26 121.32 2k0f h ALA 42 Ca -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2k0f h ALA 42 Cb 1.57 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2k0f h ALA 42 CO 0.17 0.63 -0.23 0.93 0.00 0.00 0.00 179.25 180.75 2k0f h GLU 43 N 1.09 -0.63 -0.93 0.00 5.08 -1.90 -3.27 114.58 114.03 2k0f h GLU 43 Ca 0.24 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.73 2k0f h GLU 43 Cb 0.28 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 2k0f h GLU 43 CO -0.01 -0.32 0.60 1.25 -1.00 0.00 0.00 179.01 179.53 2k0f h LEU 44 N -0.98 0.89 -0.37 1.33 5.85 -0.77 -2.17 115.31 119.10 2k0f h LEU 44 Ca -0.07 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2k0f h LEU 44 Cb 0.59 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2k0f h LEU 44 CO 0.11 0.54 -0.05 -0.61 -0.34 0.00 0.00 178.44 178.08 2k0f h GLN 45 N 0.99 0.00 -0.28 1.25 5.75 -1.34 -3.14 115.11 118.34 2k0f h GLN 45 Ca 0.42 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.77 2k0f h GLN 45 Cb 0.33 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.87 2k0f h GLN 45 CO -0.18 0.05 -0.43 0.22 -2.65 0.00 0.00 178.83 175.84 2k0f h ASP 46 N 0.00 0.86 -0.38 -0.69 3.58 -1.44 -1.65 116.42 116.70 2k0f h ASP 46 Ca -0.00 -0.52 0.05 0.00 0.42 0.00 0.00 57.03 56.99 2k0f h ASP 46 Cb 0.92 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 2k0f h ASP 46 CO 0.01 1.21 0.26 0.24 -2.88 0.00 0.00 179.24 178.07 2k0f h MET 47 N 0.54 0.30 0.17 0.28 2.86 -1.49 -2.04 114.93 115.54 2k0f h MET 47 Ca 0.03 -0.02 -0.29 0.00 -2.06 0.00 0.00 59.70 57.36 2k0f h MET 47 Cb 1.03 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.63 2k0f h MET 47 CO 0.10 0.20 -1.36 0.82 1.06 0.00 0.00 176.91 177.72 2k0f h ILE 48 N 0.31 1.18 0.00 -1.22 2.04 -1.47 -3.32 117.51 115.03 2k0f h ILE 48 Ca 0.17 -2.52 -0.07 0.00 1.00 0.00 0.00 64.86 63.43 2k0f h ILE 48 Cb 0.27 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 2k0f h ILE 48 CO -0.04 0.77 -0.33 0.78 0.00 0.00 0.00 178.15 179.33 2k0f h ASN 49 N -0.13 0.00 0.21 1.72 4.21 -1.21 0.12 115.58 120.51 2k0f h ASN 49 Ca -0.27 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.15 2k0f h ASN 49 Cb 1.90 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 39.09 2k0f h ASN 49 CO 0.16 0.33 -0.35 -0.08 -1.29 0.00 0.00 177.43 176.19 2k0f h GLU 50 N 0.00 0.20 0.06 0.81 4.81 -1.48 -3.34 114.58 115.64 2k0f h GLU 50 Ca -0.00 -0.08 -0.28 0.00 -0.13 0.00 0.00 59.36 58.87 2k0f h GLU 50 Cb 0.60 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 2k0f h GLU 50 CO 0.04 0.53 -1.49 0.28 -0.73 0.00 0.00 179.01 177.64 2k0f h VAL 51 N 0.18 0.86 -1.59 0.32 2.07 -1.41 -3.47 116.25 113.21 2k0f h VAL 51 Ca 0.02 -2.27 -0.72 0.00 0.82 0.00 0.00 66.70 64.55 2k0f h VAL 51 Cb 0.71 2.43 0.03 0.00 -1.52 0.00 0.00 31.29 32.93 2k0f h VAL 51 CO 0.05 0.57 0.72 -0.67 0.02 0.00 0.00 177.57 178.27 2k0f n ASP 52 N -4.05 2.08 -0.10 0.57 2.03 0.33 -4.92 116.55 112.49 2k0f n ASP 52 Ca -0.30 1.09 -0.17 0.00 0.52 0.00 0.00 54.79 55.93 2k0f n ASP 52 Cb 0.83 -1.16 -0.07 0.00 -0.72 0.00 0.00 41.12 40.01 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 4.26 0.83 0.11 -1.67 0.00 -1.26 -4.74 120.51 118.03 2k0f n ALA 53 Ca 0.23 -0.70 -0.04 0.00 0.00 0.00 0.00 53.44 52.93 2k0f n ALA 53 Cb 0.15 -0.10 0.08 0.00 0.00 0.00 0.00 19.45 19.57 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 0.06 0.00 0.00 3.04 -1.93 -3.47 116.42 113.11 2k0f h ASP 54 Ca -0.27 -0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.48 2k0f h ASP 54 Cb 1.11 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.39 2k0f h ASP 54 CO -0.17 0.77 0.00 0.61 -2.04 0.00 0.00 179.24 178.42 2k0f n GLY 55 N 0.58 1.35 0.17 7.15 0.00 -1.26 -4.97 105.19 108.21 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 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 -1.96 -3.47 115.58 118.83 2k0f h ASN 56 Ca 0.00 -0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.96 2k0f n GLY 57 N 1.19 0.51 3.41 9.14 0.00 -1.26 -5.07 105.19 113.10 2k0f n GLY 57 Ca 0.04 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 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 1.97 -0.34 2.61 -4.23 -1.26 -4.80 115.64 107.59 2k0f s THR 58 Ca 0.00 -2.26 -0.20 0.00 -1.18 0.00 0.00 61.69 58.06 2k0f s THR 58 Cb 0.00 -2.22 -0.00 0.00 1.34 0.00 0.00 72.50 71.62 2k0f s THR 58 CO 0.00 -0.47 0.59 -0.51 -0.54 0.00 0.00 174.62 173.69 2k0f s ILE 59 N -2.82 4.95 0.65 2.99 2.07 -1.19 -4.69 121.20 123.15 2k0f s ILE 59 Ca 0.26 0.60 -0.04 0.00 -1.41 0.00 0.00 60.65 60.06 2k0f s ILE 59 Cb -0.01 -4.01 0.05 0.00 0.13 0.00 0.00 42.46 38.62 2k0f s ILE 59 CO 0.11 -0.22 0.93 -1.81 -1.91 0.00 0.00 174.94 172.04 2k0f s ASP 60 N 1.73 5.00 0.28 4.50 1.11 -1.26 -0.51 116.67 127.52 2k0f s ASP 60 Ca 0.23 0.30 -0.02 0.00 0.18 0.00 0.00 52.55 53.24 2k0f s ASP 60 Cb -0.15 -1.04 0.42 0.00 1.07 0.00 0.00 42.92 43.22 2k0f s ASP 60 CO 0.13 -1.42 1.91 0.15 1.18 0.00 0.00 175.17 177.12 2k0f h PHE 61 N -0.35 1.14 0.00 4.23 3.57 -1.96 -0.27 116.94 123.30 2k0f h PHE 61 Ca -0.44 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.04 2k0f h PHE 61 Cb 1.31 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 2k0f h PHE 61 CO 0.35 0.64 -0.25 -1.35 -2.23 0.00 0.00 178.31 175.47 2k0f h PRO 62 N 1.16 0.00 -0.44 6.41 0.11 -1.96 -2.40 132.00 134.88 2k0f h PRO 62 Ca 0.39 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.41 2k0f h PRO 62 Cb 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 2k0f h PRO 62 CO -0.13 0.25 -0.06 0.93 -0.21 0.00 0.00 178.00 178.78 2k0f h GLU 63 N 0.00 0.82 -0.55 1.05 5.08 -1.79 -2.84 114.58 116.35 2k0f h GLU 63 Ca -0.00 -0.29 0.11 0.00 -1.00 0.00 0.00 59.36 58.18 2k0f h GLU 63 Cb 0.94 -0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.03 2k0f h GLU 63 CO 0.03 0.91 -0.16 0.35 -1.00 0.00 0.00 179.01 179.14 2k0f h PHE 64 N 0.65 -0.35 0.00 4.33 3.57 -0.94 0.44 116.94 124.65 2k0f h PHE 64 Ca 0.12 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2k0f h PHE 64 Cb 0.58 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2k0f h PHE 64 CO 0.04 -0.26 0.00 -0.07 -2.23 0.00 0.00 178.31 175.80 2k0f h LEU 65 N -0.02 0.00 0.00 0.59 3.38 -1.47 0.41 115.31 118.20 2k0f h LEU 65 Ca 0.27 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 2k0f h LEU 65 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2k0f h LEU 65 CO -0.58 0.00 -0.51 0.74 0.09 0.00 0.00 178.44 178.17 2k0f h THR 66 N 0.00 0.27 0.17 0.22 2.02 -0.98 -2.05 112.91 112.57 2k0f h THR 66 Ca 0.00 -1.42 -0.34 0.00 0.77 0.00 0.00 66.41 65.42 2k0f h THR 66 Cb 0.33 2.00 0.01 0.00 -1.74 0.00 0.00 68.15 68.74 2k0f h THR 66 CO 0.00 0.16 -1.71 -0.03 0.37 0.00 0.00 175.52 174.31 2k0f h MET 67 N 0.00 0.36 0.07 6.66 1.85 0.51 -3.41 114.93 120.98 2k0f h MET 67 Ca -0.02 -0.62 -0.34 0.00 -0.61 0.00 0.00 59.70 58.11 2k0f h MET 67 Cb 1.16 0.23 -0.03 0.00 0.43 0.00 0.00 31.60 33.40 2k0f h MET 67 CO 0.02 1.27 -1.88 -1.33 -0.40 0.00 0.00 176.91 174.59 2k0f n MET 68 N -3.56 0.69 -0.60 0.39 2.00 0.13 -4.49 117.12 111.69 2k0f n MET 68 Ca -0.23 0.34 0.07 0.00 0.00 0.00 0.00 57.70 57.88 2k0f n MET 68 Cb 1.07 -1.69 0.32 0.00 0.00 0.00 0.00 33.22 32.92 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0f n ALA 69 N -3.20 3.22 -2.57 3.04 0.00 -0.77 -4.80 120.51 115.42 2k0f n ALA 69 Ca -0.35 -1.42 -0.36 0.00 0.00 0.00 0.00 53.44 51.32 2k0f n ALA 69 Cb 0.94 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.28 2k0f n ALA 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k0f s ARG 70 N -2.01 3.78 -0.40 0.00 1.81 -1.26 -5.03 118.95 115.84 2k0f s ARG 70 Ca 0.44 0.22 -0.17 0.00 -1.72 0.00 0.00 55.73 54.50 2k0f s ARG 70 Cb 0.30 -3.07 0.01 0.00 -0.45 0.00 0.00 34.95 31.75 2k0f s ARG 70 CO 0.19 0.61 0.44 0.15 -0.68 0.00 0.00 175.30 176.01 2k0f s LYS 71 N -1.65 3.25 0.26 3.54 -0.14 -1.26 -5.07 119.74 118.66 2k0f s LYS 71 Ca 0.30 -0.61 -0.04 0.00 -1.36 0.00 0.00 55.97 54.25 2k0f s LYS 71 Cb -0.15 -3.92 0.06 0.00 -1.68 0.00 0.00 37.83 32.15 2k0f s LYS 71 CO 0.16 -0.78 0.31 -1.33 -0.76 0.00 0.00 175.35 172.95 2k0f n MET 72 N 5.61 -0.68 -1.41 1.68 2.81 -1.26 -5.07 117.12 118.81 2k0f n MET 72 Ca -0.07 -0.48 -0.30 0.00 -1.81 0.00 0.00 57.70 55.04 2k0f n MET 72 Cb 0.48 -0.35 0.22 0.00 -0.71 0.00 0.00 33.22 32.86 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 -3.68 -0.60 0.43 0.03 1.02 -1.26 -4.94 119.74 110.74 2k0f s LYS 73 Ca 0.18 -0.24 0.24 0.00 0.02 0.00 0.00 55.97 56.18 2k0f s LYS 73 Cb -0.01 -1.68 0.73 0.00 -0.52 0.00 0.00 37.83 36.34 2k0f s LYS 73 CO 0.13 -3.27 1.74 0.38 -0.92 0.00 0.00 175.35 173.41 2k0f h ASP 74 N -2.26 0.00 0.01 2.83 2.03 -1.97 -3.00 116.42 114.06 2k0f h ASP 74 Ca -0.44 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 55.78 2k0f h ASP 74 Cb 1.27 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.77 2k0f h ASP 74 CO 0.34 0.18 -0.30 0.74 -1.03 0.00 0.00 179.24 179.17 2k0f h THR 75 N 0.00 1.57 -0.99 1.15 2.02 -1.99 -2.62 112.91 112.05 2k0f h THR 75 Ca -0.00 -2.07 0.23 0.00 0.77 0.00 0.00 66.41 65.34 2k0f h THR 75 Cb 0.87 2.89 -0.12 0.00 -1.74 0.00 0.00 68.15 70.05 2k0f h THR 75 CO 0.02 0.57 0.58 0.44 0.37 0.00 0.00 175.52 177.50 2k0f h ASP 76 N -0.53 0.66 1.19 4.18 3.32 -1.95 -1.60 116.42 121.68 2k0f h ASP 76 Ca -0.04 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2k0f h ASP 76 Cb 1.09 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2k0f h ASP 76 CO 0.06 0.13 0.00 -1.20 -1.72 0.00 0.00 179.24 176.51 2k0f n SER 77 N -4.88 0.80 -0.09 6.45 7.64 -1.13 -2.41 113.62 120.00 2k0f n SER 77 Ca 0.25 0.62 -0.18 0.00 1.01 0.00 0.00 58.87 60.58 2k0f n SER 77 Cb 0.69 -0.82 -0.10 0.00 -1.01 0.00 0.00 64.21 62.98 2k0f n SER 77 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2k0f h GLU 78 N 0.00 0.00 0.00 1.43 4.81 -0.92 -3.39 114.58 116.51 2k0f h GLU 78 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 78 Cb 0.59 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 2k0f h GLU 78 CO 0.00 0.81 -0.16 0.93 -0.73 0.00 0.00 179.01 179.86 2k0f h GLU 79 N -1.00 0.00 0.00 1.92 4.39 -1.34 -2.46 114.58 116.09 2k0f h GLU 79 Ca -0.25 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 2k0f h GLU 79 Cb 1.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2k0f h GLU 79 CO -0.15 0.16 -0.02 1.05 -1.16 0.00 0.00 179.01 178.89 2k0f h GLU 80 N 0.00 0.00 0.04 2.33 4.11 -1.67 -2.18 114.58 117.21 2k0f h GLU 80 Ca -0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.17 2k0f h GLU 80 Cb 0.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 80 CO 0.02 0.02 -1.37 0.82 0.07 0.00 0.00 179.01 178.57 2k0f h ILE 81 N 0.00 1.29 -0.08 -1.06 2.04 -1.62 -0.86 117.51 117.22 2k0f h ILE 81 Ca -0.00 -3.02 -0.01 0.00 1.00 0.00 0.00 64.86 62.82 2k0f h ILE 81 Cb 0.05 2.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.83 2k0f h ILE 81 CO 0.00 0.79 0.00 0.03 0.00 0.00 0.00 178.15 178.97 2k0f h ARG 82 N 0.02 0.14 -0.53 2.37 3.08 -1.42 -1.22 114.38 116.82 2k0f h ARG 82 Ca -0.16 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 59.90 2k0f h ARG 82 Cb 1.92 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.92 2k0f h ARG 82 CO 0.13 0.40 0.35 0.93 -1.07 0.00 0.00 179.97 180.71 2k0f h GLU 83 N -0.13 0.48 -0.04 0.04 4.39 -1.45 -2.54 114.58 115.33 2k0f h GLU 83 Ca 0.02 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2k0f h GLU 83 Cb 0.33 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2k0f h GLU 83 CO 0.00 0.32 -0.03 0.00 -1.16 0.00 0.00 179.01 178.14 2k0f h ALA 84 N 1.71 0.05 -0.39 3.43 0.00 -0.99 -2.17 119.26 120.91 2k0f h ALA 84 Ca 0.23 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2k0f h ALA 84 Cb 0.28 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 2k0f h ALA 84 CO -0.06 -0.17 -0.12 0.35 0.00 0.00 0.00 179.25 179.25 2k0f h PHE 85 N -0.36 -0.26 -0.07 0.00 3.57 -1.19 -2.18 116.94 116.44 2k0f h PHE 85 Ca 0.01 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.56 2k0f h PHE 85 Cb 0.52 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 2k0f h PHE 85 CO 0.09 -0.19 0.08 -0.09 -2.23 0.00 0.00 178.31 175.97 2k0f h ARG 86 N -0.03 0.00 -0.84 1.11 2.43 -1.46 0.24 114.38 115.83 2k0f h ARG 86 Ca 0.19 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2k0f h ARG 86 Cb 0.32 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 2k0f h ARG 86 CO -0.42 0.00 0.42 0.28 -1.51 0.00 0.00 179.97 178.74 2k0f h VAL 87 N 0.00 1.26 0.10 0.20 2.07 -0.72 -3.13 116.25 116.02 2k0f h VAL 87 Ca 0.03 -0.71 -0.23 0.00 0.82 0.00 0.00 66.70 66.62 2k0f h VAL 87 Cb 0.20 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2k0f h VAL 87 CO -0.00 0.31 -1.16 -0.26 0.02 0.00 0.00 177.57 176.47 2k0f h PHE 88 N 1.20 0.37 -3.05 1.57 0.04 -1.18 -3.45 116.94 112.43 2k0f h PHE 88 Ca 0.29 -0.27 -0.57 0.00 2.80 0.00 0.00 57.97 60.22 2k0f h PHE 88 Cb 0.10 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.19 2k0f h PHE 88 CO 0.01 1.45 1.04 0.34 -0.60 0.00 0.00 178.31 180.55 2k0f s ASP 89 N -6.93 6.52 -0.18 2.17 2.15 0.72 -4.70 116.67 116.42 2k0f s ASP 89 Ca -0.20 1.27 -0.20 0.00 0.43 0.00 0.00 52.55 53.85 2k0f s ASP 89 Cb 0.03 -2.54 -0.17 0.00 -0.30 0.00 0.00 42.92 39.94 2k0f s ASP 89 CO 0.75 -1.20 0.26 0.50 -0.17 0.00 0.00 175.17 175.31 2k0f h LYS 90 N 9.99 0.00 0.00 4.34 3.64 -1.87 -3.36 116.57 129.31 2k0f h LYS 90 Ca -0.29 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.87 2k0f h LYS 90 Cb 1.12 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 2k0f h LYS 90 CO 1.03 0.82 -1.49 0.38 -2.27 0.00 0.00 179.45 177.92 2k0f h ASP 91 N -1.00 0.00 -0.09 4.20 2.03 -1.95 -3.49 116.42 116.12 2k0f h ASP 91 Ca -0.22 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.08 2k0f h ASP 91 Cb 1.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.57 2k0f h ASP 91 CO -0.13 0.79 0.00 0.61 -1.03 0.00 0.00 179.24 179.48 2k0f n GLY 92 N 1.46 0.98 0.29 7.15 0.00 -1.26 -4.95 105.19 108.86 2k0f n GLY 92 Ca -0.12 -0.53 0.19 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 0.00 1.61 -1.07 -1.95 -3.47 115.58 110.71 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 93 Cb 0.62 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.87 2k0f h ASN 93 CO 0.00 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k0f n GLY 94 N -0.22 0.83 2.91 9.14 0.00 -1.26 -5.09 105.19 111.50 2k0f n GLY 94 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.77 -0.16 1.61 2.02 -1.26 -3.35 117.35 114.98 2k0f s TYR 95 Ca 0.00 -0.21 -0.24 0.00 -0.37 0.00 0.00 57.07 56.25 2k0f s TYR 95 Cb 0.00 -0.65 -0.02 0.00 -0.40 0.00 0.00 41.96 40.89 2k0f s TYR 95 CO 0.00 -0.17 0.75 0.42 -1.57 0.00 0.00 175.55 174.98 2k0f s ILE 96 N 0.77 4.95 0.42 2.71 1.01 0.82 -4.81 121.20 127.07 2k0f s ILE 96 Ca -0.11 1.47 -0.00 0.00 0.00 0.00 0.00 60.65 62.01 2k0f s ILE 96 Cb -0.13 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 2k0f s ILE 96 CO 0.00 0.09 0.64 -0.94 0.00 0.00 0.00 174.94 174.74 2k0f s SER 97 N 1.11 6.01 0.35 3.58 1.04 -1.26 -0.77 113.70 123.76 2k0f s SER 97 Ca 0.35 0.40 0.09 0.00 0.48 0.00 0.00 55.95 57.27 2k0f s SER 97 Cb -0.17 -1.76 0.64 0.00 0.10 0.00 0.00 66.02 64.84 2k0f s SER 97 CO 0.13 -0.57 1.82 0.00 0.98 0.00 0.00 173.24 175.60 2k0f h ALA 98 N 0.49 1.33 -0.44 5.32 0.00 -1.95 -0.59 119.26 123.42 2k0f h ALA 98 Ca -0.47 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 2k0f h ALA 98 Cb 1.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2k0f h ALA 98 CO 0.59 0.46 0.24 0.00 0.00 0.00 0.00 179.25 180.54 2k0f h ALA 99 N 1.53 0.56 -0.04 0.00 0.00 -1.98 -0.85 119.26 118.49 2k0f h ALA 99 Ca 0.03 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 2k0f h ALA 99 Cb 0.58 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.21 2k0f h ALA 99 CO 0.04 0.09 -0.87 0.93 0.00 0.00 0.00 179.25 179.44 2k0f h GLU 100 N 0.57 0.65 -0.05 0.00 5.08 -1.76 -2.33 114.58 116.75 2k0f h GLU 100 Ca 0.15 -0.65 0.04 0.00 -1.00 0.00 0.00 59.36 57.90 2k0f h GLU 100 Cb 0.05 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 2k0f h GLU 100 CO -0.02 1.25 -0.26 1.25 -1.00 0.00 0.00 179.01 180.22 2k0f h LEU 101 N 0.30 -0.80 -1.99 1.33 5.85 -1.02 -0.57 115.31 118.41 2k0f h LEU 101 Ca -0.10 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2k0f h LEU 101 Cb 1.53 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 2k0f h LEU 101 CO 0.17 -0.32 0.17 -0.09 -0.34 0.00 0.00 178.44 178.02 2k0f h ARG 102 N -0.38 0.01 -0.16 1.25 2.43 -1.20 -2.44 114.38 113.90 2k0f h ARG 102 Ca 0.08 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2k0f h ARG 102 Cb 0.49 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2k0f h ARG 102 CO -0.27 0.01 -0.04 1.25 -1.51 0.00 0.00 179.97 179.41 2k0f h HIS 103 N 0.01 0.35 -0.43 2.20 2.76 -0.52 -1.62 115.15 117.89 2k0f h HIS 103 Ca 0.11 -0.08 0.03 0.00 -2.20 0.00 0.00 60.37 58.24 2k0f h HIS 103 Cb 0.43 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.27 2k0f h HIS 103 CO -0.00 0.59 0.22 0.28 -1.30 0.00 0.00 177.93 177.72 2k0f h VAL 104 N 0.01 0.98 -0.86 5.26 2.07 -1.38 -0.45 116.25 121.87 2k0f h VAL 104 Ca 0.04 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.46 2k0f h VAL 104 Cb 0.48 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 2k0f h VAL 104 CO 0.02 0.08 0.54 0.24 0.02 0.00 0.00 177.57 178.47 2k0f h MET 105 N 0.44 0.99 -0.04 1.57 2.07 -1.34 -0.45 114.93 118.17 2k0f h MET 105 Ca 0.18 -0.06 -0.05 0.00 -2.07 0.00 0.00 59.70 57.70 2k0f h MET 105 Cb 0.08 -0.22 0.00 0.00 -1.87 0.00 0.00 31.60 29.59 2k0f h MET 105 CO -0.12 0.66 -0.17 1.15 1.07 0.00 0.00 176.91 179.49 2k0f h THR 106 N 1.02 1.46 -0.91 2.22 2.02 -1.16 0.92 112.91 118.49 2k0f h THR 106 Ca 0.36 -1.62 0.25 0.00 0.77 0.00 0.00 66.41 66.17 2k0f h THR 106 Cb 0.10 2.41 -0.14 0.00 -1.74 0.00 0.00 68.15 68.78 2k0f h THR 106 CO -0.15 0.45 0.36 0.78 0.37 0.00 0.00 175.52 177.33 2k0f h ASN 107 N -0.36 0.22 1.02 4.18 2.35 -1.10 -2.12 115.58 119.77 2k0f h ASN 107 Ca -0.01 0.18 -0.16 0.00 -0.55 0.00 0.00 56.30 55.76 2k0f h ASN 107 Cb 0.82 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 2k0f h ASN 107 CO 0.04 -0.09 -0.77 -0.07 -1.65 0.00 0.00 177.43 174.88 2k0f h LEU 108 N 0.30 0.00 -0.12 1.61 3.38 -0.64 -3.37 115.31 116.48 2k0f h LEU 108 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.56 2k0f h LEU 108 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2k0f h LEU 108 CO -0.60 0.77 0.00 0.61 0.09 0.00 0.00 178.44 179.32 2k0f n GLY 109 N 1.02 0.86 3.85 0.83 0.00 -0.19 -4.99 105.19 106.56 2k0f n GLY 109 Ca 0.00 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.18 3.85 -0.76 1.61 0.41 0.14 -5.02 118.70 118.75 2k0f s GLU 110 Ca 0.00 0.33 -0.02 0.00 -0.41 0.00 0.00 54.97 54.86 2k0f s GLU 110 Cb 0.00 -3.19 0.31 0.00 -1.78 0.00 0.00 34.13 29.48 2k0f s GLU 110 CO 0.00 0.68 2.14 1.63 -0.49 0.00 0.00 175.26 179.23 2k0f n LYS 111 N 1.70 2.67 -2.43 1.61 4.76 -1.26 -4.65 118.16 120.56 2k0f n LYS 111 Ca -0.14 -3.28 -0.30 0.00 -2.87 0.00 0.00 58.31 51.72 2k0f n LYS 111 Cb 0.53 -2.24 -0.01 0.00 -1.84 0.00 0.00 35.03 31.47 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k0f s LEU 112 N -3.73 3.56 0.00 -0.35 1.02 -1.26 -5.12 118.68 112.80 2k0f s LEU 112 Ca 0.54 1.20 0.02 0.00 0.02 0.00 0.00 54.13 55.90 2k0f s LEU 112 Cb 0.44 -4.16 0.07 0.00 0.02 0.00 0.00 46.19 42.56 2k0f s LEU 112 CO -0.34 -0.62 0.52 0.35 0.02 0.00 0.00 176.35 176.28 2k0f n THR 113 N -2.10 0.00 -0.02 5.49 -2.24 -1.26 -4.99 114.28 109.16 2k0f n THR 113 Ca 0.03 -0.94 -0.16 0.00 -2.27 0.00 0.00 64.05 60.71 2k0f n THR 113 Cb 0.54 -0.99 -0.09 0.00 -2.10 0.00 0.00 70.33 67.70 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 -0.21 0.55 -0.82 3.42 5.19 -1.99 -1.55 116.42 121.02 2k0f h ASP 114 Ca -0.17 -0.67 0.13 0.00 -0.62 0.00 0.00 57.03 55.70 2k0f h ASP 114 Cb 0.68 -0.17 -0.13 0.00 0.18 0.00 0.00 39.33 39.89 2k0f h ASP 114 CO 0.20 1.14 -0.31 -0.62 -3.12 0.00 0.00 179.24 176.53 2k0f n GLU 115 N -4.27 -0.18 -0.10 3.56 4.71 -1.26 -1.00 120.64 122.10 2k0f n GLU 115 Ca -0.09 1.26 -0.11 0.00 -0.01 0.00 0.00 57.16 58.22 2k0f n GLU 115 Cb 0.60 -1.88 -0.03 0.00 -1.01 0.00 0.00 31.44 29.12 2k0f n GLU 115 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2k0f h GLU 116 N 0.00 0.53 -0.78 3.49 5.08 -1.88 0.98 114.58 122.00 2k0f h GLU 116 Ca 0.30 -0.16 0.16 0.00 -1.00 0.00 0.00 59.36 58.65 2k0f h GLU 116 Cb 0.50 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.60 2k0f h GLU 116 CO -0.82 0.66 0.31 0.28 -1.00 0.00 0.00 179.01 178.45 2k0f h VAL 117 N 0.34 0.62 0.17 3.13 2.07 -1.00 -2.11 116.25 119.47 2k0f h VAL 117 Ca 0.09 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2k0f h VAL 117 Cb 0.42 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2k0f h VAL 117 CO 0.01 0.08 -0.08 -0.78 0.02 0.00 0.00 177.57 176.82 2k0f h ASP 118 N 0.44 -0.19 0.65 0.57 3.58 -0.94 -3.28 116.42 117.25 2k0f h ASP 118 Ca 0.44 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 2k0f h ASP 118 Cb 0.70 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.80 2k0f h ASP 118 CO -0.43 0.12 -0.07 -0.08 -2.88 0.00 0.00 179.24 175.90 2k0f h GLU 119 N -0.51 0.00 0.06 0.28 4.81 -0.58 -1.47 114.58 117.17 2k0f h GLU 119 Ca -0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 119 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2k0f h GLU 119 CO 0.04 0.07 -0.03 1.98 -0.73 0.00 0.00 179.01 180.34 2k0f h MET 120 N 0.00 -0.07 -0.10 1.92 4.05 -1.45 0.18 114.93 119.46 2k0f h MET 120 Ca -0.00 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.23 2k0f h MET 120 Cb 0.41 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 2k0f h MET 120 CO 0.01 0.23 -0.75 0.82 0.23 0.00 0.00 176.91 177.45 2k0f h ILE 121 N -0.38 1.35 -0.17 1.77 2.04 -1.49 -2.50 117.51 118.12 2k0f h ILE 121 Ca -0.01 -2.09 0.05 0.00 1.00 0.00 0.00 64.86 63.80 2k0f h ILE 121 Cb 0.34 2.08 -0.07 0.00 -0.74 0.00 0.00 36.82 38.43 2k0f h ILE 121 CO 0.01 0.64 -0.43 -0.09 0.00 0.00 0.00 178.15 178.28 2k0f h ARG 122 N 0.36 -0.46 0.00 2.37 2.43 -1.29 -0.11 114.38 117.69 2k0f h ARG 122 Ca -0.04 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2k0f h ARG 122 Cb 1.35 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 2k0f h ARG 122 CO 0.14 -0.30 0.00 1.05 -1.51 0.00 0.00 179.97 179.34 2k0f h GLU 123 N -0.47 0.00 0.00 0.20 4.11 -0.67 -3.23 114.58 114.52 2k0f h GLU 123 Ca 0.08 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.45 2k0f h GLU 123 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2k0f h GLU 123 CO -0.43 0.00 -0.54 0.00 0.07 0.00 0.00 179.01 178.11 2k0f h ALA 124 N 2.03 0.07 -2.67 1.06 0.00 -0.88 -3.49 119.26 115.38 2k0f h ALA 124 Ca 0.00 -0.59 -0.49 0.00 0.00 0.00 0.00 54.91 53.83 2k0f h ALA 124 Cb 0.07 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2k0f h ALA 124 CO 0.00 0.40 0.38 0.34 0.00 0.00 0.00 179.25 180.37 2k0f s ASP 125 N -6.04 7.43 -0.24 0.00 -1.08 -0.13 -5.00 116.67 111.61 2k0f s ASP 125 Ca -0.16 1.99 0.03 0.00 -0.52 0.00 0.00 52.55 53.90 2k0f s ASP 125 Cb 0.02 -2.60 -0.17 0.00 -1.46 0.00 0.00 42.92 38.71 2k0f s ASP 125 CO 0.32 -0.00 -0.19 -0.38 0.52 0.00 0.00 175.17 175.44 2k0f n ILE 126 N 1.10 1.42 0.16 4.11 2.08 -1.26 -4.57 119.36 122.40 2k0f n ILE 126 Ca -0.00 -0.57 -0.12 0.00 0.56 0.00 0.00 62.75 62.61 2k0f n ILE 126 Cb 0.47 -1.30 -0.07 0.00 -0.75 0.00 0.00 39.64 37.99 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 2k0f h ASP 127 N 0.00 -0.38 -2.41 4.38 3.04 -1.99 -3.50 116.42 115.57 2k0f h ASP 127 Ca -0.55 -0.17 0.00 0.00 -3.24 0.00 0.00 57.03 53.07 2k0f h ASP 127 Cb 1.89 0.10 0.00 0.00 -1.04 0.00 0.00 39.33 40.28 2k0f h ASP 127 CO -0.08 0.03 0.00 0.61 -2.04 0.00 0.00 179.24 177.76 2k0f n GLY 128 N -0.12 -1.49 0.13 7.15 0.00 -1.26 -5.07 105.19 104.54 2k0f n GLY 128 Ca -0.09 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.17 2.01 0.00 1.61 5.75 -1.26 -5.04 116.55 119.45 2k0f n ASP 129 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 2k0f n ASP 129 Cb 0.00 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 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 2.12 1.76 3.76 6.12 0.00 -1.26 -5.12 105.19 112.58 2k0f n GLY 130 Ca -0.46 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 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 2.18 -0.11 1.61 -0.21 -1.26 -4.62 119.66 117.24 2k0f s GLN 131 Ca 0.00 -2.30 0.03 0.00 0.02 0.00 0.00 55.36 53.10 2k0f s GLN 131 Cb 0.00 -1.62 0.01 0.00 1.00 0.00 0.00 33.01 32.39 2k0f s GLN 131 CO 0.00 -0.34 -0.20 0.08 -2.12 0.00 0.00 175.29 172.70 2k0f s VAL 132 N -2.84 1.85 0.50 1.09 1.01 0.05 -4.98 120.40 117.09 2k0f s VAL 132 Ca 0.14 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2k0f s VAL 132 Cb 0.02 -1.64 0.10 0.00 0.00 0.00 0.00 36.38 34.86 2k0f s VAL 132 CO 0.07 0.51 0.69 -0.46 0.00 0.00 0.00 175.10 175.92 2k0f n ASN 133 N 3.88 1.10 -0.05 3.32 0.23 -1.26 -0.13 115.26 122.34 2k0f n ASN 133 Ca -0.20 -1.89 -0.12 0.00 -0.53 0.00 0.00 54.58 51.84 2k0f n ASN 133 Cb 0.52 -0.43 -0.07 0.00 -2.08 0.00 0.00 39.78 37.72 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N -0.41 0.35 -0.66 -2.53 3.20 -1.98 -1.99 116.97 112.95 2k0f h TYR 134 Ca -0.23 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.50 2k0f h TYR 134 Cb 0.89 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 2k0f h TYR 134 CO 0.00 0.62 0.18 0.93 -1.64 0.00 0.00 178.16 178.25 2k0f h GLU 135 N -0.03 1.04 0.00 1.82 5.08 -1.96 -0.55 114.58 119.98 2k0f h GLU 135 Ca 0.03 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.08 2k0f h GLU 135 Cb 0.53 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2k0f h GLU 135 CO 0.02 0.92 -0.38 0.93 -1.00 0.00 0.00 179.01 179.50 2k0f h GLU 136 N 0.96 0.00 -0.28 2.33 5.08 -1.96 -3.05 114.58 117.66 2k0f h GLU 136 Ca 0.21 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 136 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2k0f h GLU 136 CO -0.00 0.38 -0.14 0.35 -1.00 0.00 0.00 179.01 178.60 2k0f h PHE 137 N 0.00 0.68 -0.20 4.33 3.57 -0.50 -2.62 116.94 122.20 2k0f h PHE 137 Ca -0.00 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.37 2k0f h PHE 137 Cb 0.94 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 2k0f h PHE 137 CO 0.00 0.83 -0.06 0.28 -2.23 0.00 0.00 178.31 177.13 2k0f h VAL 138 N 0.33 0.77 -0.97 1.41 2.07 -1.17 -2.86 116.25 115.83 2k0f h VAL 138 Ca 0.06 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.71 2k0f h VAL 138 Cb 0.66 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 31.11 2k0f h VAL 138 CO 0.04 0.00 0.59 -0.61 0.02 0.00 0.00 177.57 177.61 2k0f h GLN 139 N -0.02 0.88 -0.38 1.57 4.15 -1.54 0.47 115.11 120.23 2k0f h GLN 139 Ca 0.10 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2k0f h GLN 139 Cb 0.17 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 2k0f h GLN 139 CO -0.22 0.58 0.24 1.98 -1.93 0.00 0.00 178.83 179.49 2k0f h MET 140 N 0.91 0.50 0.08 1.69 4.05 -1.24 -3.26 114.93 117.66 2k0f h MET 140 Ca 0.49 -0.03 -0.28 0.00 -0.28 0.00 0.00 59.70 59.59 2k0f h MET 140 Cb 0.53 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.21 2k0f h MET 140 CO -0.29 0.34 -1.44 0.52 0.23 0.00 0.00 176.91 176.28 2k0f h MET 141 N 0.52 0.17 0.00 0.39 2.86 -0.80 -3.52 114.93 114.55 2k0f h MET 141 Ca 0.14 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2k0f h MET 141 Cb -0.04 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2k0f h MET 141 CO -0.03 1.02 0.00 0.25 1.06 0.00 0.00 176.91 179.21