#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 0.24 -0.30 1.09 3.07 -2.06 -0.92 114.58 115.70 2k0f h GLU 2 Ca 0.00 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 2k0f h GLU 2 Cb 0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 2k0f h GLU 2 CO 0.00 0.16 0.01 0.93 -1.40 0.00 0.00 179.01 178.70 2k0f h GLU 3 N 0.24 0.53 -0.20 2.33 5.08 -2.05 -2.95 114.58 117.55 2k0f h GLU 3 Ca 0.56 -0.16 -0.17 0.00 -1.00 0.00 0.00 59.36 58.59 2k0f h GLU 3 Cb 1.14 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2k0f h GLU 3 CO -0.63 0.66 -0.57 0.37 -1.00 0.00 0.00 179.01 177.84 2k0f h GLN 4 N 0.32 0.63 -0.59 2.33 5.75 -1.62 -2.27 115.11 119.67 2k0f h GLN 4 Ca 0.09 -0.41 0.12 0.00 -0.15 0.00 0.00 58.65 58.30 2k0f h GLN 4 Cb 0.42 0.05 -0.10 0.00 1.07 0.00 0.00 27.48 28.92 2k0f h GLN 4 CO 0.01 1.03 -0.04 0.82 -2.65 0.00 0.00 178.83 178.00 2k0f h ILE 5 N 0.48 0.49 -0.59 2.39 1.08 -1.48 -1.34 117.51 118.53 2k0f h ILE 5 Ca 0.00 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 2k0f h ILE 5 Cb 1.14 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 35.26 2k0f h ILE 5 CO 0.11 0.01 0.27 0.00 -0.69 0.00 0.00 178.15 177.86 2k0f h ALA 6 N 1.55 1.36 0.00 1.87 0.00 -1.30 -0.50 119.26 122.24 2k0f h ALA 6 Ca 0.30 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2k0f h ALA 6 Cb 0.48 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2k0f h ALA 6 CO -0.53 0.49 -0.54 0.93 0.00 0.00 0.00 179.25 179.60 2k0f h GLU 7 N 0.84 0.00 0.14 0.00 5.08 -0.86 -1.69 114.58 118.08 2k0f h GLU 7 Ca 0.21 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.25 2k0f h GLU 7 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2k0f h GLU 7 CO -0.03 0.54 -1.58 0.74 -1.00 0.00 0.00 179.01 177.69 2k0f h PHE 8 N 0.00 0.54 0.43 4.33 0.04 -1.15 -3.34 116.94 117.79 2k0f h PHE 8 Ca -0.01 -0.39 -0.02 0.00 2.80 0.00 0.00 57.97 60.35 2k0f h PHE 8 Cb 1.29 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.42 2k0f h PHE 8 CO 0.00 1.46 -0.21 -0.22 -0.60 0.00 0.00 178.31 178.74 2k0f h LYS 9 N 0.08 -0.56 -0.32 1.51 1.63 -0.75 -0.95 116.57 117.22 2k0f h LYS 9 Ca -0.27 0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.58 2k0f h LYS 9 Cb 2.04 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 33.78 2k0f h LYS 9 CO 0.17 -0.26 0.21 0.93 -3.45 0.00 0.00 179.45 177.06 2k0f h GLU 10 N -0.85 0.40 -0.98 1.90 5.08 -1.56 -0.92 114.58 117.65 2k0f h GLU 10 Ca -0.06 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 10 Cb 0.56 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 2k0f h GLU 10 CO 0.10 0.27 0.65 0.00 -1.00 0.00 0.00 179.01 179.02 2k0f h ALA 11 N 1.81 1.26 -0.35 3.43 0.00 -1.55 -2.76 119.26 121.10 2k0f h ALA 11 Ca 0.12 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 11 Cb -0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 2k0f h ALA 11 CO -0.03 0.62 -0.36 0.35 0.00 0.00 0.00 179.25 179.83 2k0f h PHE 12 N 1.31 0.97 0.00 0.00 3.57 0.10 -3.03 116.94 119.86 2k0f h PHE 12 Ca 0.37 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2k0f h PHE 12 Cb -0.12 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.41 2k0f h PHE 12 CO -0.00 1.05 0.00 0.43 -2.23 0.00 0.00 178.31 177.56 2k0f n SER 13 N -4.06 0.00 0.09 0.41 7.64 -0.57 -1.07 113.62 116.05 2k0f n SER 13 Ca -0.02 0.23 -0.18 0.00 1.01 0.00 0.00 58.87 59.92 2k0f n SER 13 Cb 0.52 -0.35 -0.14 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.46 0.00 -3.43 5.85 -1.36 -3.40 115.31 113.43 2k0f h LEU 14 Ca 0.00 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.15 2k0f h LEU 14 Cb 0.14 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2k0f h LEU 14 CO 0.00 1.46 0.00 0.49 -0.34 0.00 0.00 178.44 180.05 2k0f n PHE 15 N -3.51 0.00 -2.06 1.25 3.72 -0.24 -4.81 117.46 111.81 2k0f n PHE 15 Ca -0.14 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.84 2k0f n PHE 15 Cb 1.05 -0.49 -0.03 0.00 -0.94 0.00 0.00 39.48 39.07 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k0f s ASP 16 N -2.82 6.71 0.04 4.37 2.15 -0.41 -4.75 116.67 121.97 2k0f s ASP 16 Ca 0.00 2.31 0.23 0.00 0.43 0.00 0.00 52.55 55.52 2k0f s ASP 16 Cb 0.00 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 40.04 2k0f s ASP 16 CO 0.00 -0.82 0.96 0.29 -0.17 0.00 0.00 175.17 175.43 2k0f n LYS 17 N 5.63 0.32 -0.09 4.34 4.76 -1.26 -4.54 118.16 127.32 2k0f n LYS 17 Ca 0.15 -0.02 -0.14 0.00 -2.87 0.00 0.00 58.31 55.43 2k0f n LYS 17 Cb 0.42 -1.59 -0.08 0.00 -1.84 0.00 0.00 35.03 31.94 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k0f n ASP 18 N -1.99 2.43 -0.85 4.39 8.00 -1.26 -5.04 116.55 122.22 2k0f n ASP 18 Ca 0.01 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2k0f n ASP 18 Cb 0.45 -0.32 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 2.52 0.57 0.08 0.44 0.00 -1.26 -5.03 105.19 102.50 2k0f n GLY 19 Ca -0.33 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.96 -3.50 116.42 114.60 2k0f h ASP 20 Ca 0.00 -0.25 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 2k0f h ASP 20 Cb 0.97 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 2k0f h ASP 20 CO 0.00 0.99 0.00 0.61 -1.03 0.00 0.00 179.24 179.81 2k0f n GLY 21 N 1.58 -0.54 3.01 7.15 0.00 -1.26 -5.08 105.19 110.05 2k0f n GLY 21 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.42 0.61 -0.12 2.61 -4.23 -1.26 -2.27 115.64 110.55 2k0f s THR 22 Ca 0.00 -0.42 -0.10 0.00 -1.18 0.00 0.00 61.69 59.98 2k0f s THR 22 Cb 0.00 -0.53 -0.05 0.00 1.34 0.00 0.00 72.50 73.26 2k0f s THR 22 CO 0.00 0.11 0.22 -0.63 -0.54 0.00 0.00 174.62 173.78 2k0f s ILE 23 N -0.32 5.36 0.51 2.99 1.01 -0.70 -4.81 121.20 125.24 2k0f s ILE 23 Ca 0.02 0.39 0.08 0.00 0.00 0.00 0.00 60.65 61.14 2k0f s ILE 23 Cb -0.04 -3.52 0.04 0.00 0.01 0.00 0.00 42.46 38.95 2k0f s ILE 23 CO -0.00 0.52 0.56 0.42 0.00 0.00 0.00 174.94 176.44 2k0f s THR 24 N -0.41 2.25 0.47 2.92 -4.23 -1.26 -3.70 115.64 111.68 2k0f s THR 24 Ca 0.15 -1.22 0.18 0.00 -1.18 0.00 0.00 61.69 59.63 2k0f s THR 24 Cb -0.13 -2.47 0.35 0.00 1.34 0.00 0.00 72.50 71.60 2k0f s THR 24 CO 0.04 0.00 1.98 0.71 -0.54 0.00 0.00 174.62 176.81 2k0f h THR 25 N 0.60 0.82 -0.32 3.99 1.35 -1.97 -2.74 112.91 114.64 2k0f h THR 25 Ca -0.36 -0.09 -0.07 0.00 -0.55 0.00 0.00 66.41 65.35 2k0f h THR 25 Cb 1.29 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 2k0f h THR 25 CO 0.50 0.05 -0.07 0.11 -0.25 0.00 0.00 175.52 175.85 2k0f h LYS 26 N 0.25 0.61 0.00 4.72 1.57 -1.97 -0.08 116.57 121.67 2k0f h LYS 26 Ca 0.27 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2k0f h LYS 26 Cb 0.74 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2k0f h LYS 26 CO -0.06 0.79 0.00 0.93 -0.57 0.00 0.00 179.45 180.54 2k0f h GLU 27 N 0.39 0.00 0.12 3.15 5.08 -1.80 -1.26 114.58 120.26 2k0f h GLU 27 Ca 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2k0f h GLU 27 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2k0f h GLU 27 CO 0.03 0.00 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.91 2k0f h LEU 28 N 0.00 -0.14 -0.59 1.33 3.38 -1.53 -3.41 115.31 114.35 2k0f h LEU 28 Ca 0.00 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.66 2k0f h LEU 28 Cb 0.70 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 2k0f h LEU 28 CO 0.00 0.47 -0.35 0.61 0.09 0.00 0.00 178.44 179.26 2k0f n GLY 29 N 0.99 -1.56 0.34 0.83 0.00 -0.05 -2.28 105.19 103.46 2k0f n GLY 29 Ca -0.07 0.71 0.14 0.00 0.00 0.00 0.00 46.02 46.80 2k0f n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k0f h THR 30 N 0.00 0.04 0.03 2.61 1.03 -1.46 0.19 112.91 115.34 2k0f h THR 30 Ca 0.09 -0.01 -0.13 0.00 -0.01 0.00 0.00 66.41 66.36 2k0f h THR 30 Cb 0.24 0.02 0.01 0.00 -1.07 0.00 0.00 68.15 67.36 2k0f h THR 30 CO -0.55 0.00 -0.52 0.58 -0.01 0.00 0.00 175.52 175.02 2k0f h VAL 31 N 0.02 1.49 -0.65 0.00 2.07 -1.68 -1.93 116.25 115.58 2k0f h VAL 31 Ca 0.59 -2.15 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 2k0f h VAL 31 Cb 1.20 2.80 -0.03 0.00 -1.52 0.00 0.00 31.29 33.74 2k0f h VAL 31 CO -0.91 0.61 0.31 0.24 0.02 0.00 0.00 177.57 177.84 2k0f h MET 32 N -0.30 0.94 -0.19 1.57 2.07 -1.13 0.84 114.93 118.72 2k0f h MET 32 Ca -0.07 -0.14 -0.01 0.00 -2.07 0.00 0.00 59.70 57.41 2k0f h MET 32 Cb 1.28 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.83 2k0f h MET 32 CO 0.10 0.75 0.08 0.00 1.07 0.00 0.00 176.91 178.90 2k0f h ARG 33 N 0.90 0.26 -0.00 1.72 3.08 -0.43 0.18 114.38 120.08 2k0f h ARG 33 Ca 0.22 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 60.08 2k0f h ARG 33 Cb 0.12 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2k0f h ARG 33 CO -0.03 0.22 -0.78 0.77 -1.07 0.00 0.00 179.97 179.08 2k0f h SER 34 N 0.26 0.01 -0.48 7.04 0.02 -0.50 -2.92 113.55 116.98 2k0f h SER 34 Ca 0.07 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 2k0f h SER 34 Cb 0.06 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2k0f h SER 34 CO -0.01 0.79 0.01 -0.07 -1.14 0.00 0.00 176.83 176.41 2k0f h LEU 35 N 0.00 0.87 0.00 5.07 4.07 -0.56 -3.45 115.31 121.31 2k0f h LEU 35 Ca -0.01 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.73 2k0f h LEU 35 Cb 1.39 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.90 2k0f h LEU 35 CO 0.10 0.92 0.00 0.61 -1.08 0.00 0.00 178.44 178.99 2k0f n GLY 36 N -0.58 0.62 3.22 0.83 0.00 0.29 -5.09 105.19 104.48 2k0f n GLY 36 Ca 0.03 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.89 0.35 -0.44 1.61 2.00 0.36 -4.94 119.66 117.71 2k0f s GLN 37 Ca 0.00 0.74 -0.14 0.00 -2.00 0.00 0.00 55.36 53.96 2k0f s GLN 37 Cb 0.00 -0.04 0.06 0.00 0.80 0.00 0.00 33.01 33.83 2k0f s GLN 37 CO 0.00 -0.16 0.33 -0.80 -0.50 0.00 0.00 175.29 174.16 2k0f s ASN 38 N 1.41 6.01 0.79 6.67 0.01 -1.26 -2.73 114.94 125.84 2k0f s ASN 38 Ca -0.09 -1.21 -0.11 0.00 -0.71 0.00 0.00 52.86 50.73 2k0f s ASN 38 Cb -0.09 -2.13 0.08 0.00 0.41 0.00 0.00 41.25 39.52 2k0f s ASN 38 CO -0.12 -0.55 1.15 -2.16 -1.51 0.00 0.00 177.10 173.91 2k0f s PRO 39 N 1.61 1.97 0.27 -0.60 0.04 -1.26 -5.09 135.00 131.93 2k0f s PRO 39 Ca 0.04 0.03 0.03 0.00 0.04 0.00 0.00 61.00 61.13 2k0f s PRO 39 Cb -0.22 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 2k0f s PRO 39 CO 0.07 -1.56 0.42 0.95 0.04 0.00 0.00 177.00 176.93 2k0f s THR 40 N -3.53 5.20 -0.00 1.26 -4.23 -1.26 -5.08 115.64 108.00 2k0f s THR 40 Ca 0.62 -0.73 -0.08 0.00 -1.18 0.00 0.00 61.69 60.32 2k0f s THR 40 Cb -0.11 -3.84 -0.05 0.00 1.34 0.00 0.00 72.50 69.84 2k0f s THR 40 CO 0.48 -0.38 0.69 -0.33 -0.54 0.00 0.00 174.62 174.54 2k0f h GLU 41 N 1.16 -0.29 0.24 3.99 4.39 -1.98 -3.32 114.58 118.77 2k0f h GLU 41 Ca -0.51 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2k0f h GLU 41 Cb 1.22 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.90 2k0f h GLU 41 CO 0.62 -0.20 -0.48 0.00 -1.16 0.00 0.00 179.01 177.80 2k0f h ALA 42 N -1.69 -1.02 -0.83 3.43 0.00 -1.98 -0.37 119.26 116.80 2k0f h ALA 42 Ca -0.03 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2k0f h ALA 42 Cb 0.23 0.80 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2k0f h ALA 42 CO 0.05 -1.11 0.54 0.93 0.00 0.00 0.00 179.25 179.67 2k0f h GLU 43 N -0.78 1.06 -0.79 0.00 3.07 -2.00 -0.16 114.58 114.98 2k0f h GLU 43 Ca -0.03 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 58.79 2k0f h GLU 43 Cb 0.74 -0.24 -0.04 0.00 -0.84 0.00 0.00 28.75 28.36 2k0f h GLU 43 CO -0.18 0.70 0.52 1.25 -1.40 0.00 0.00 179.01 179.90 2k0f h LEU 44 N 1.09 0.87 0.13 1.33 5.85 -1.62 -2.76 115.31 120.19 2k0f h LEU 44 Ca 0.31 -0.02 -0.29 0.00 0.84 0.00 0.00 57.88 58.72 2k0f h LEU 44 Cb -0.08 -0.21 0.02 0.00 0.37 0.00 0.00 40.66 40.76 2k0f h LEU 44 CO -0.08 0.61 -1.29 -0.61 -0.34 0.00 0.00 178.44 176.73 2k0f h GLN 45 N 1.01 0.46 -0.33 1.25 4.15 -0.59 -3.19 115.11 117.88 2k0f h GLN 45 Ca 0.30 -0.70 -0.10 0.00 0.77 0.00 0.00 58.65 58.93 2k0f h GLN 45 Cb -0.03 0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2k0f h GLN 45 CO -0.08 1.32 -0.17 0.22 -1.93 0.00 0.00 178.83 178.19 2k0f h ASP 46 N 0.16 0.72 -0.99 -0.69 3.58 -0.87 -0.51 116.42 117.82 2k0f h ASP 46 Ca -0.18 -0.41 0.01 0.00 0.42 0.00 0.00 57.03 56.87 2k0f h ASP 46 Cb 1.98 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 42.78 2k0f h ASP 46 CO 0.23 0.97 0.66 -0.03 -2.88 0.00 0.00 179.24 178.19 2k0f h MET 47 N 0.46 1.30 -0.19 0.28 4.05 -1.62 -2.40 114.93 116.81 2k0f h MET 47 Ca 0.07 -0.08 -0.15 0.00 -0.28 0.00 0.00 59.70 59.27 2k0f h MET 47 Cb 0.71 -0.29 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 2k0f h MET 47 CO 0.05 0.86 -0.50 0.82 0.23 0.00 0.00 176.91 178.37 2k0f h ILE 48 N 1.34 1.32 -0.33 1.77 1.08 -1.40 -3.22 117.51 118.07 2k0f h ILE 48 Ca 0.37 -1.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.11 2k0f h ILE 48 Cb -0.14 1.72 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 2k0f h ILE 48 CO -0.08 0.53 0.21 -1.13 -0.69 0.00 0.00 178.15 176.99 2k0f h ASN 49 N 0.40 0.38 -0.00 1.72 -1.24 -0.57 -0.26 115.58 116.01 2k0f h ASN 49 Ca 0.02 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 2k0f h ASN 49 Cb 1.02 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 39.97 2k0f h ASN 49 CO 0.09 0.28 0.00 -0.33 -1.29 0.00 0.00 177.43 176.18 2k0f h GLU 50 N 0.44 0.00 0.00 6.67 5.08 -1.55 -2.64 114.58 122.58 2k0f h GLU 50 Ca 0.12 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2k0f h GLU 50 Cb -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2k0f h GLU 50 CO -0.02 0.00 -0.96 0.28 -1.00 0.00 0.00 179.01 177.31 2k0f h VAL 51 N 0.00 0.24 -3.56 3.13 2.07 -1.19 -3.47 116.25 113.47 2k0f h VAL 51 Ca 0.00 -1.42 -0.53 0.00 0.82 0.00 0.00 66.70 65.57 2k0f h VAL 51 Cb 0.01 1.81 0.07 0.00 -1.52 0.00 0.00 31.29 31.67 2k0f h VAL 51 CO -0.00 0.13 0.77 -0.62 0.02 0.00 0.00 177.57 177.87 2k0f s ASP 52 N -5.70 6.56 -0.07 0.57 2.15 -0.86 -4.86 116.67 114.47 2k0f s ASP 52 Ca 0.00 2.79 -0.04 0.00 0.43 0.00 0.00 52.55 55.73 2k0f s ASP 52 Cb 0.09 -2.64 -0.03 0.00 -0.30 0.00 0.00 42.92 40.04 2k0f s ASP 52 CO 0.78 -0.74 -0.10 0.00 -0.17 0.00 0.00 175.17 174.93 2k0f n ALA 53 N 1.70 2.47 -0.29 3.66 0.00 -1.26 -4.82 120.51 121.96 2k0f n ALA 53 Ca 0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.13 2k0f n ALA 53 Cb 0.40 0.37 0.07 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.29 1.08 0.00 0.00 3.04 -1.95 -3.48 116.42 114.82 2k0f h ASP 54 Ca -0.17 -0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 2k0f h ASP 54 Cb 1.05 -0.28 0.00 0.00 -1.04 0.00 0.00 39.33 39.06 2k0f h ASP 54 CO -0.11 0.94 0.00 0.61 -2.04 0.00 0.00 179.24 178.65 2k0f n GLY 55 N -0.92 1.44 0.19 7.15 0.00 -1.26 -5.03 105.19 106.76 2k0f n GLY 55 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 0.75 0.24 0.00 1.61 7.08 -1.98 -3.47 115.58 119.80 2k0f h ASN 56 Ca 0.00 -0.11 0.00 0.00 -3.08 0.00 0.00 56.30 53.11 2k0f h ASN 56 Cb 0.00 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 36.17 2k0f h ASN 56 CO 0.00 0.67 0.00 0.61 -2.08 0.00 0.00 177.43 176.63 2k0f n GLY 57 N -0.06 0.77 3.83 9.14 0.00 -1.26 -5.06 105.19 112.54 2k0f n GLY 57 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.26 4.64 -0.49 2.61 -4.23 -1.26 -4.70 115.64 109.94 2k0f s THR 58 Ca 0.00 -1.04 -0.27 0.00 -1.18 0.00 0.00 61.69 59.20 2k0f s THR 58 Cb 0.00 -3.39 0.03 0.00 1.34 0.00 0.00 72.50 70.48 2k0f s THR 58 CO 0.00 -0.13 1.05 -0.51 -0.54 0.00 0.00 174.62 174.50 2k0f s ILE 59 N -1.78 4.29 0.65 2.99 2.07 -1.24 -4.90 121.20 123.28 2k0f s ILE 59 Ca 0.32 0.93 -0.00 0.00 -1.41 0.00 0.00 60.65 60.48 2k0f s ILE 59 Cb -0.10 -4.56 0.08 0.00 0.13 0.00 0.00 42.46 38.02 2k0f s ILE 59 CO 0.24 -1.00 0.90 -1.81 -1.91 0.00 0.00 174.94 171.36 2k0f s ASP 60 N 2.49 4.77 0.10 4.50 1.11 -1.26 -1.73 116.67 126.65 2k0f s ASP 60 Ca 0.42 -0.16 -0.27 0.00 0.18 0.00 0.00 52.55 52.72 2k0f s ASP 60 Cb -0.09 -0.45 -0.12 0.00 1.07 0.00 0.00 42.92 43.33 2k0f s ASP 60 CO 0.28 -1.54 1.66 0.15 1.18 0.00 0.00 175.17 176.90 2k0f h PHE 61 N -0.28 -0.54 0.00 4.23 3.57 -1.86 -0.32 116.94 121.73 2k0f h PHE 61 Ca -0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.11 2k0f h PHE 61 Cb 1.28 0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.23 2k0f h PHE 61 CO 0.09 -0.31 0.00 -0.35 -2.23 0.00 0.00 178.31 175.51 2k0f n PRO 62 N -5.33 0.74 -0.01 6.41 -0.04 -1.26 -1.73 135.00 133.78 2k0f n PRO 62 Ca -0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.25 2k0f n PRO 62 Cb 0.24 -1.32 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.09 0.14 0.54 5.08 -1.43 -3.16 114.58 115.84 2k0f h GLU 63 Ca 0.00 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2k0f h GLU 63 Cb 0.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2k0f h GLU 63 CO 0.00 0.76 -0.07 0.35 -1.00 0.00 0.00 179.01 179.05 2k0f h PHE 64 N 0.03 -0.17 -0.75 4.33 3.57 -0.88 -0.90 116.94 122.16 2k0f h PHE 64 Ca -0.32 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.31 2k0f h PHE 64 Cb 2.02 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 40.76 2k0f h PHE 64 CO 0.03 0.00 0.50 -0.07 -2.23 0.00 0.00 178.31 176.54 2k0f h LEU 65 N -0.31 0.46 -0.11 0.59 3.38 -1.48 -0.38 115.31 117.45 2k0f h LEU 65 Ca -0.02 0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 2k0f h LEU 65 Cb 0.25 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.94 2k0f h LEU 65 CO 0.03 0.25 -0.88 0.74 0.09 0.00 0.00 178.44 178.67 2k0f h THR 66 N 0.50 1.28 -0.37 0.22 2.02 -1.41 -2.77 112.91 112.38 2k0f h THR 66 Ca 0.36 -2.09 -0.11 0.00 0.77 0.00 0.00 66.41 65.34 2k0f h THR 66 Cb 0.72 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.25 2k0f h THR 66 CO -0.13 0.65 -0.22 -0.03 0.37 0.00 0.00 175.52 176.17 2k0f h MET 67 N 0.47 0.74 0.00 6.66 4.05 -0.63 -3.34 114.93 122.88 2k0f h MET 67 Ca -0.08 -0.29 0.00 0.00 -0.28 0.00 0.00 59.70 59.05 2k0f h MET 67 Cb 1.51 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.28 2k0f h MET 67 CO 0.18 0.89 -1.38 -1.33 0.23 0.00 0.00 176.91 175.50 2k0f n MET 68 N -4.11 0.29 -0.16 0.39 2.00 -0.20 -3.70 117.12 111.62 2k0f n MET 68 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 57.70 57.74 2k0f n MET 68 Cb 0.43 -1.52 0.24 0.00 0.00 0.00 0.00 33.22 32.37 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 -1.83 2.44 -2.48 3.04 0.00 -1.04 -4.89 120.51 115.75 2k0f n ALA 69 Ca 0.01 -0.88 -0.25 0.00 0.00 0.00 0.00 53.44 52.32 2k0f n ALA 69 Cb 0.44 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.58 1.72 0.05 0.00 0.52 -1.24 -5.06 118.95 113.35 2k0f s ARG 70 Ca 0.37 -1.64 0.01 0.00 -0.52 0.00 0.00 55.73 53.95 2k0f s ARG 70 Cb 0.22 -1.85 -0.04 0.00 0.52 0.00 0.00 34.95 33.80 2k0f s ARG 70 CO 0.30 0.36 0.12 0.15 0.02 0.00 0.00 175.30 176.25 2k0f s LYS 71 N -3.27 3.10 0.00 3.54 1.02 -1.26 -4.93 119.74 117.94 2k0f s LYS 71 Ca 0.27 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.71 2k0f s LYS 71 Cb -0.06 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 2k0f s LYS 71 CO 0.14 0.60 0.00 -1.33 -0.92 0.00 0.00 175.35 173.84 2k0f n MET 72 N 0.61 0.86 -0.96 1.68 2.81 -1.26 -5.07 117.12 115.78 2k0f n MET 72 Ca -0.09 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.51 2k0f n MET 72 Cb 0.52 0.00 0.19 0.00 -0.71 0.00 0.00 33.22 33.21 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 -0.32 0.33 0.41 0.03 1.02 -1.26 -4.72 119.74 115.22 2k0f s LYS 73 Ca 0.00 0.78 0.15 0.00 0.02 0.00 0.00 55.97 56.92 2k0f s LYS 73 Cb 0.00 -1.70 0.89 0.00 -0.52 0.00 0.00 37.83 36.49 2k0f s LYS 73 CO 0.00 -2.87 1.91 0.38 -0.92 0.00 0.00 175.35 173.85 2k0f h ASP 74 N -2.00 0.00 0.22 2.83 2.03 -2.00 -1.51 116.42 115.99 2k0f h ASP 74 Ca -0.54 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 55.57 2k0f h ASP 74 Cb 1.31 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.81 2k0f h ASP 74 CO 0.53 0.28 -0.73 0.71 -1.03 0.00 0.00 179.24 179.00 2k0f h THR 75 N 0.00 1.37 0.00 1.15 1.35 -2.00 -3.32 112.91 111.45 2k0f h THR 75 Ca -0.00 -2.13 -0.18 0.00 -0.55 0.00 0.00 66.41 63.56 2k0f h THR 75 Cb 0.50 2.10 -0.03 0.00 -1.73 0.00 0.00 68.15 68.99 2k0f h THR 75 CO 0.04 0.64 -1.74 0.47 -0.25 0.00 0.00 175.52 174.68 2k0f n ASP 76 N -3.85 0.49 -0.14 5.36 8.00 -0.86 -2.67 116.55 122.89 2k0f n ASP 76 Ca -0.05 0.21 0.10 0.00 0.71 0.00 0.00 54.79 55.76 2k0f n ASP 76 Cb 0.71 0.72 0.43 0.00 -0.02 0.00 0.00 41.12 42.96 2k0f n ASP 76 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2k0f h SER 77 N 0.00 0.51 0.85 -2.24 0.02 -1.42 0.72 113.55 112.00 2k0f h SER 77 Ca -0.22 0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 60.51 2k0f h SER 77 Cb 1.60 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 64.03 2k0f h SER 77 CO 0.03 0.32 -1.09 -0.33 -1.14 0.00 0.00 176.83 174.62 2k0f h GLU 78 N 0.57 0.11 0.02 3.45 4.39 -1.65 -3.38 114.58 118.09 2k0f h GLU 78 Ca 0.30 -0.19 -0.23 0.00 0.34 0.00 0.00 59.36 59.58 2k0f h GLU 78 Cb 0.43 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 2k0f h GLU 78 CO -0.10 1.08 -1.26 1.49 -1.16 0.00 0.00 179.01 179.06 2k0f h GLU 79 N 0.03 0.05 -1.17 2.33 4.57 -1.26 -3.40 114.58 115.73 2k0f h GLU 79 Ca -0.06 -0.08 0.33 0.00 -1.18 0.00 0.00 59.36 58.37 2k0f h GLU 79 Cb 1.84 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 30.40 2k0f h GLU 79 CO 0.16 1.04 0.81 1.05 -1.18 0.00 0.00 179.01 180.89 2k0f h GLU 80 N -0.83 0.11 -0.21 1.92 4.11 -1.04 -2.06 114.58 116.58 2k0f h GLU 80 Ca -0.33 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.08 2k0f h GLU 80 Cb 1.40 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 2k0f h GLU 80 CO -0.14 0.07 0.07 0.82 0.07 0.00 0.00 179.01 179.89 2k0f h ILE 81 N 0.11 1.19 -0.48 -1.06 2.04 -1.77 -2.71 117.51 114.83 2k0f h ILE 81 Ca 0.59 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 2k0f h ILE 81 Cb 2.10 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 39.35 2k0f h ILE 81 CO -0.11 0.19 0.26 0.03 0.00 0.00 0.00 178.15 178.51 2k0f h ARG 82 N 0.16 0.68 -0.71 2.37 3.08 -1.61 0.16 114.38 118.50 2k0f h ARG 82 Ca 0.07 -0.08 0.15 0.00 0.07 0.00 0.00 59.98 60.19 2k0f h ARG 82 Cb 0.23 -0.13 -0.13 0.00 0.08 0.00 0.00 29.97 30.02 2k0f h ARG 82 CO -0.00 0.54 -0.07 0.93 -1.07 0.00 0.00 179.97 180.29 2k0f h GLU 83 N 0.64 0.06 -0.15 0.04 4.39 -1.52 0.52 114.58 118.55 2k0f h GLU 83 Ca 0.17 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2k0f h GLU 83 Cb 0.06 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2k0f h GLU 83 CO -0.03 0.04 0.05 0.00 -1.16 0.00 0.00 179.01 177.91 2k0f h ALA 84 N 1.68 0.19 -0.74 3.43 0.00 -1.10 -3.11 119.26 119.62 2k0f h ALA 84 Ca 0.37 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.29 2k0f h ALA 84 Cb 0.61 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2k0f h ALA 84 CO -0.67 -0.20 0.49 0.35 0.00 0.00 0.00 179.25 179.23 2k0f h PHE 85 N 0.07 0.55 0.00 0.00 3.57 -0.54 -0.09 116.94 120.49 2k0f h PHE 85 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2k0f h PHE 85 Cb 0.21 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.77 2k0f h PHE 85 CO -0.00 0.23 0.00 -2.13 -2.23 0.00 0.00 178.31 174.17 2k0f n ARG 86 N -4.49 0.09 -0.06 1.11 0.63 0.16 -1.35 116.66 112.76 2k0f n ARG 86 Ca 0.13 0.22 -0.15 0.00 -0.92 0.00 0.00 57.85 57.14 2k0f n ARG 86 Cb 0.46 -1.63 -0.06 0.00 0.45 0.00 0.00 32.46 31.67 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2k0f h VAL 87 N 0.00 1.32 0.15 5.15 2.07 -1.01 -3.40 116.25 120.53 2k0f h VAL 87 Ca 0.00 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 2k0f h VAL 87 Cb 0.41 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2k0f h VAL 87 CO 0.00 0.54 -0.07 -0.26 0.02 0.00 0.00 177.57 177.79 2k0f h PHE 88 N 0.37 -0.19 -1.06 1.57 -1.00 -1.55 -3.42 116.94 111.66 2k0f h PHE 88 Ca -0.01 -0.00 -0.62 0.00 2.81 0.00 0.00 57.97 60.15 2k0f h PHE 88 Cb 1.10 0.06 -0.10 0.00 3.61 0.00 0.00 35.95 40.63 2k0f h PHE 88 CO 0.09 -0.12 1.68 0.34 -1.61 0.00 0.00 178.31 178.70 2k0f s ASP 89 N -3.52 6.60 0.15 2.17 2.15 -0.45 -4.75 116.67 119.01 2k0f s ASP 89 Ca -0.03 -1.74 -0.04 0.00 0.43 0.00 0.00 52.55 51.18 2k0f s ASP 89 Cb 0.00 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 89 CO 0.09 -1.41 1.36 0.50 -0.17 0.00 0.00 175.17 175.54 2k0f h LYS 90 N 9.16 0.43 0.01 4.34 3.64 -1.81 -3.33 116.57 129.01 2k0f h LYS 90 Ca 0.27 -0.41 -0.08 0.00 -1.27 0.00 0.00 60.65 59.17 2k0f h LYS 90 Cb 0.97 0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2k0f h LYS 90 CO 1.43 1.06 -0.31 0.38 -2.27 0.00 0.00 179.45 179.75 2k0f h ASP 91 N 0.27 0.25 0.00 4.20 3.04 -1.95 -3.49 116.42 118.73 2k0f h ASP 91 Ca -0.06 -0.81 0.00 0.00 -3.24 0.00 0.00 57.03 52.92 2k0f h ASP 91 Cb 1.46 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.67 2k0f h ASP 91 CO 0.15 1.03 0.00 0.61 -2.04 0.00 0.00 179.24 178.99 2k0f n GLY 92 N 1.16 -0.08 0.16 7.15 0.00 -1.25 -5.04 105.19 107.29 2k0f n GLY 92 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.47 115.58 110.70 2k0f h ASN 93 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.35 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.01 0.00 0.61 0.07 0.00 0.00 177.43 178.12 2k0f n GLY 94 N 1.20 1.32 2.72 9.14 0.00 -1.26 -5.10 105.19 113.21 2k0f n GLY 94 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 0.08 -0.39 1.61 1.51 -1.26 -4.07 117.35 112.83 2k0f s TYR 95 Ca 0.00 0.18 -0.29 0.00 -1.01 0.00 0.00 57.07 55.95 2k0f s TYR 95 Cb 0.00 -0.39 0.02 0.00 -0.11 0.00 0.00 41.96 41.47 2k0f s TYR 95 CO 0.00 -0.15 1.18 0.42 -1.11 0.00 0.00 175.55 175.89 2k0f s ILE 96 N 1.67 4.26 0.61 2.71 1.01 0.29 -4.81 121.20 126.94 2k0f s ILE 96 Ca -0.01 1.37 0.04 0.00 0.00 0.00 0.00 60.65 62.04 2k0f s ILE 96 Cb -0.12 -4.41 0.09 0.00 0.01 0.00 0.00 42.46 38.02 2k0f s ILE 96 CO -0.03 -0.71 0.85 -0.94 0.00 0.00 0.00 174.94 174.11 2k0f s SER 97 N 2.43 4.88 0.49 3.58 1.04 -1.26 -1.51 113.70 123.35 2k0f s SER 97 Ca 0.50 -0.45 0.20 0.00 0.48 0.00 0.00 55.95 56.69 2k0f s SER 97 Cb -0.11 -0.15 1.25 0.00 0.10 0.00 0.00 66.02 67.11 2k0f s SER 97 CO 0.25 -1.46 2.05 0.00 0.98 0.00 0.00 173.24 175.06 2k0f h ALA 98 N -0.08 1.55 0.04 5.32 0.00 -1.93 0.16 119.26 124.31 2k0f h ALA 98 Ca -0.36 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2k0f h ALA 98 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2k0f h ALA 98 CO 0.43 0.17 -0.02 0.00 0.00 0.00 0.00 179.25 179.83 2k0f h ALA 99 N 1.86 -0.05 -0.52 0.00 0.00 -1.99 -1.92 119.26 116.64 2k0f h ALA 99 Ca -0.00 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.65 2k0f h ALA 99 Cb 0.28 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2k0f h ALA 99 CO 0.02 -0.21 0.29 0.93 0.00 0.00 0.00 179.25 180.28 2k0f h GLU 100 N -0.69 0.54 -0.42 0.00 5.08 -1.84 -2.43 114.58 114.82 2k0f h GLU 100 Ca -0.01 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 100 Cb 0.62 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.66 2k0f h GLU 100 CO 0.01 0.36 -0.09 1.25 -1.00 0.00 0.00 179.01 179.54 2k0f h LEU 101 N 0.56 -0.37 -0.74 1.33 5.85 -0.73 -2.66 115.31 118.55 2k0f h LEU 101 Ca 0.22 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.97 2k0f h LEU 101 Cb 0.09 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2k0f h LEU 101 CO -0.13 -0.13 -0.08 -0.09 -0.34 0.00 0.00 178.44 177.67 2k0f h ARG 102 N 0.01 0.88 -0.13 1.25 2.43 -0.97 -1.11 114.38 116.74 2k0f h ARG 102 Ca 0.20 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 2k0f h ARG 102 Cb 0.31 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2k0f h ARG 102 CO -0.43 0.92 -0.04 1.25 -1.51 0.00 0.00 179.97 180.17 2k0f h HIS 103 N 0.79 0.29 -0.53 2.20 2.76 -1.52 -0.58 115.15 118.57 2k0f h HIS 103 Ca 0.14 -0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 2k0f h HIS 103 Cb 0.59 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 2k0f h HIS 103 CO 0.03 0.56 0.01 0.28 -1.30 0.00 0.00 177.93 177.51 2k0f h VAL 104 N -0.05 1.25 -0.26 5.26 2.07 -1.40 -1.05 116.25 122.07 2k0f h VAL 104 Ca 0.03 -1.05 0.06 0.00 0.82 0.00 0.00 66.70 66.56 2k0f h VAL 104 Cb 0.47 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 2k0f h VAL 104 CO 0.01 0.38 -0.23 0.24 0.02 0.00 0.00 177.57 177.99 2k0f h MET 105 N 0.83 -0.22 -0.44 1.57 2.07 -1.23 0.07 114.93 117.57 2k0f h MET 105 Ca 0.16 0.02 0.05 0.00 -2.07 0.00 0.00 59.70 57.85 2k0f h MET 105 Cb 0.48 0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.24 2k0f h MET 105 CO 0.02 -0.15 0.30 1.15 1.07 0.00 0.00 176.91 179.30 2k0f h THR 106 N -0.23 0.98 0.15 2.22 2.02 -0.73 0.26 112.91 117.57 2k0f h THR 106 Ca 0.14 -0.13 -0.33 0.00 0.77 0.00 0.00 66.41 66.87 2k0f h THR 106 Cb 0.45 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2k0f h THR 106 CO -0.39 0.07 -1.63 0.78 0.37 0.00 0.00 175.52 174.71 2k0f h ASN 107 N 0.38 0.49 0.46 4.18 2.35 -0.44 -3.37 115.58 119.63 2k0f h ASN 107 Ca 0.19 -0.71 -0.02 0.00 -0.55 0.00 0.00 56.30 55.21 2k0f h ASN 107 Cb 0.27 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2k0f h ASN 107 CO -0.05 1.60 -0.22 0.25 -1.65 0.00 0.00 177.43 177.36 2k0f h LEU 108 N 0.09 -0.53 0.00 1.61 7.12 -0.82 -3.39 115.31 119.39 2k0f h LEU 108 Ca -0.29 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.63 2k0f h LEU 108 Cb 2.06 0.14 0.00 0.00 -0.53 0.00 0.00 40.66 42.32 2k0f h LEU 108 CO 0.17 -0.15 0.00 0.61 -0.13 0.00 0.00 178.44 178.94 2k0f n GLY 109 N -0.38 0.00 3.22 3.75 0.00 -0.61 -4.88 105.19 106.28 2k0f n GLY 109 Ca -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 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 1.01 -0.41 1.61 0.41 -0.02 -5.03 118.70 116.28 2k0f s GLU 110 Ca 0.00 -1.00 0.02 0.00 -0.41 0.00 0.00 54.97 53.58 2k0f s GLU 110 Cb 0.00 -1.13 0.12 0.00 -1.78 0.00 0.00 34.13 31.34 2k0f s GLU 110 CO 0.00 0.26 0.19 0.21 -0.49 0.00 0.00 175.26 175.43 2k0f s LYS 111 N -1.65 1.25 0.38 1.61 2.20 -1.26 -3.60 119.74 118.67 2k0f s LYS 111 Ca 0.03 -1.84 0.01 0.00 -0.36 0.00 0.00 55.97 53.81 2k0f s LYS 111 Cb -0.10 -2.46 -0.02 0.00 -1.51 0.00 0.00 37.83 33.74 2k0f s LYS 111 CO 0.03 -1.09 0.58 -0.51 -0.36 0.00 0.00 175.35 174.00 2k0f s LEU 112 N 0.64 3.88 0.49 5.43 1.43 -1.26 -5.13 118.68 124.16 2k0f s LEU 112 Ca 0.15 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.60 2k0f s LEU 112 Cb -0.22 -3.19 0.02 0.00 0.03 0.00 0.00 46.19 42.82 2k0f s LEU 112 CO -0.06 -0.45 0.70 0.42 0.23 0.00 0.00 176.35 177.18 2k0f s THR 113 N -2.38 3.02 0.18 5.49 -4.23 -1.26 -5.00 115.64 111.45 2k0f s THR 113 Ca 0.43 -0.74 0.23 0.00 -1.18 0.00 0.00 61.69 60.44 2k0f s THR 113 Cb -0.10 -3.09 0.21 0.00 1.34 0.00 0.00 72.50 70.86 2k0f s THR 113 CO 0.36 -0.06 1.83 0.44 -0.54 0.00 0.00 174.62 176.65 2k0f h ASP 114 N 0.29 0.00 -0.12 3.99 3.32 -2.00 -2.45 116.42 119.46 2k0f h ASP 114 Ca -0.42 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 2k0f h ASP 114 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 2k0f h ASP 114 CO 0.51 0.25 0.05 -0.33 -1.72 0.00 0.00 179.24 178.01 2k0f h GLU 115 N 0.00 0.17 -0.83 3.56 5.08 -1.99 -2.61 114.58 117.97 2k0f h GLU 115 Ca -0.00 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2k0f h GLU 115 Cb 0.73 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 2k0f h GLU 115 CO 0.03 0.27 0.54 0.93 -1.00 0.00 0.00 179.01 179.78 2k0f h GLU 116 N 0.05 0.74 0.21 2.33 5.08 -1.85 0.29 114.58 121.43 2k0f h GLU 116 Ca 0.04 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 116 Cb 0.15 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2k0f h GLU 116 CO -0.00 0.49 -0.23 0.28 -1.00 0.00 0.00 179.01 178.54 2k0f h VAL 117 N 0.76 0.49 -0.15 3.13 2.07 -1.42 -1.81 116.25 119.32 2k0f h VAL 117 Ca 0.39 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.95 2k0f h VAL 117 Cb 0.47 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 2k0f h VAL 117 CO -0.15 0.00 -0.46 -0.78 0.02 0.00 0.00 177.57 176.19 2k0f h ASP 118 N -0.48 -1.47 -0.82 0.57 3.58 -1.05 -2.18 116.42 114.56 2k0f h ASP 118 Ca 0.00 0.19 0.18 0.00 0.42 0.00 0.00 57.03 57.82 2k0f h ASP 118 Cb 0.46 0.59 -0.15 0.00 1.72 0.00 0.00 39.33 41.95 2k0f h ASP 118 CO -0.07 -0.44 -0.13 -0.08 -2.88 0.00 0.00 179.24 175.63 2k0f h GLU 119 N -0.51 0.02 -0.13 0.28 4.81 -0.31 0.48 114.58 119.22 2k0f h GLU 119 Ca 0.07 -0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.10 2k0f h GLU 119 Cb 0.65 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.03 2k0f h GLU 119 CO -0.43 0.02 -0.70 0.52 -0.73 0.00 0.00 179.01 177.69 2k0f h MET 120 N 0.02 0.70 -0.59 1.92 2.86 -1.31 0.66 114.93 119.19 2k0f h MET 120 Ca 0.42 -0.58 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2k0f h MET 120 Cb 0.69 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.45 2k0f h MET 120 CO -0.81 1.20 0.37 0.82 1.06 0.00 0.00 176.91 179.54 2k0f h ILE 121 N 0.39 1.17 -0.01 -1.22 1.08 -1.21 -2.27 117.51 115.43 2k0f h ILE 121 Ca -0.05 -0.36 -0.09 0.00 -0.39 0.00 0.00 64.86 63.97 2k0f h ILE 121 Cb 1.34 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 2k0f h ILE 121 CO 0.14 0.17 -0.43 -0.09 -0.69 0.00 0.00 178.15 177.26 2k0f h ARG 122 N 0.80 0.03 -0.07 2.37 2.43 0.23 -0.93 114.38 119.25 2k0f h ARG 122 Ca 0.21 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.22 2k0f h ARG 122 Cb -0.04 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2k0f h ARG 122 CO -0.04 0.45 -0.64 1.49 -1.51 0.00 0.00 179.97 179.72 2k0f h GLU 123 N 0.02 0.27 0.04 0.20 4.81 -0.78 -3.32 114.58 115.83 2k0f h GLU 123 Ca -0.00 -0.20 -0.25 0.00 -0.13 0.00 0.00 59.36 58.78 2k0f h GLU 123 Cb 0.76 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.15 2k0f h GLU 123 CO 0.06 0.82 -1.22 0.00 -0.73 0.00 0.00 179.01 177.93 2k0f h ALA 124 N 1.13 0.37 -2.74 2.92 0.00 -0.75 -3.46 119.26 116.73 2k0f h ALA 124 Ca -0.01 -1.03 -0.53 0.00 0.00 0.00 0.00 54.91 53.35 2k0f h ALA 124 Cb 1.17 0.03 0.07 0.00 0.00 0.00 0.00 17.79 19.06 2k0f h ALA 124 CO 0.10 1.25 0.94 0.34 0.00 0.00 0.00 179.25 181.88 2k0f s ASP 125 N -6.71 6.38 -0.13 0.00 2.15 -0.43 -4.79 116.67 113.14 2k0f s ASP 125 Ca -0.02 2.91 -0.14 0.00 0.43 0.00 0.00 52.55 55.74 2k0f s ASP 125 Cb 0.09 -2.62 -0.05 0.00 -0.30 0.00 0.00 42.92 40.04 2k0f s ASP 125 CO 0.83 -0.94 -0.27 -0.38 -0.17 0.00 0.00 175.17 174.25 2k0f n ILE 126 N 2.91 1.41 0.00 4.11 2.08 -1.26 -4.87 119.36 123.74 2k0f n ILE 126 Ca 0.11 0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.57 2k0f n ILE 126 Cb 0.37 -2.13 0.00 0.00 -0.75 0.00 0.00 39.64 37.12 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2k0f n ASP 127 N -4.21 0.00 0.00 4.38 5.68 -1.26 -5.00 116.55 116.14 2k0f n ASP 127 Ca -0.14 0.44 0.00 0.00 -0.50 0.00 0.00 54.79 54.59 2k0f n ASP 127 Cb 0.45 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 0.58 0.00 0.22 6.12 0.00 -1.26 -5.06 105.19 105.79 2k0f n GLY 128 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.76 0.00 1.61 2.03 -1.98 -3.47 116.42 115.36 2k0f h ASP 129 Ca 0.00 -0.44 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2k0f h ASP 129 Cb 0.00 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.28 2k0f h ASP 129 CO 0.00 1.20 0.00 0.61 -1.03 0.00 0.00 179.24 180.02 2k0f n GLY 130 N 0.43 0.97 3.31 7.15 0.00 -1.26 -5.10 105.19 110.69 2k0f n GLY 130 Ca -0.05 -0.05 -0.16 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 -0.17 1.31 -0.29 1.61 -0.21 -1.26 -4.62 119.66 116.03 2k0f s GLN 131 Ca 0.00 -1.66 -0.01 0.00 0.02 0.00 0.00 55.36 53.71 2k0f s GLN 131 Cb 0.00 -0.50 0.05 0.00 1.00 0.00 0.00 33.01 33.57 2k0f s GLN 131 CO 0.00 -0.13 -0.03 0.08 -2.12 0.00 0.00 175.29 173.09 2k0f s VAL 132 N -3.52 2.80 0.19 1.09 1.01 -0.57 -4.64 120.40 116.76 2k0f s VAL 132 Ca 0.29 -1.44 -0.03 0.00 0.00 0.00 0.00 61.98 60.79 2k0f s VAL 132 Cb 0.06 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.87 2k0f s VAL 132 CO 0.09 -0.09 0.25 -0.46 0.00 0.00 0.00 175.10 174.89 2k0f n ASN 133 N 4.58 -0.13 0.07 3.32 0.23 -1.26 -0.55 115.26 121.52 2k0f n ASN 133 Ca -0.13 -1.03 -0.13 0.00 -0.53 0.00 0.00 54.58 52.75 2k0f n ASN 133 Cb 0.43 -0.19 -0.09 0.00 -2.08 0.00 0.00 39.78 37.85 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 -1.22 -0.18 -0.69 -2.53 3.20 -1.99 -0.58 116.97 112.98 2k0f h TYR 134 Ca -0.08 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.84 2k0f h TYR 134 Cb 0.23 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 2k0f h TYR 134 CO 0.00 0.17 0.45 0.93 -1.64 0.00 0.00 178.16 178.07 2k0f h GLU 135 N -0.55 0.69 0.00 1.82 4.39 -1.95 0.35 114.58 119.33 2k0f h GLU 135 Ca -0.02 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.48 2k0f h GLU 135 Cb 0.43 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2k0f h GLU 135 CO 0.03 0.46 -0.76 0.93 -1.16 0.00 0.00 179.01 178.52 2k0f h GLU 136 N 0.71 0.00 0.03 2.33 5.08 -1.83 -2.41 114.58 118.49 2k0f h GLU 136 Ca 0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2k0f h GLU 136 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 136 CO -0.09 0.76 -0.01 0.35 -1.00 0.00 0.00 179.01 179.01 2k0f h PHE 137 N 0.00 -0.04 -0.24 4.33 3.57 0.15 -3.15 116.94 121.56 2k0f h PHE 137 Ca -0.01 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2k0f h PHE 137 Cb 1.43 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.17 2k0f h PHE 137 CO 0.00 0.57 0.14 0.28 -2.23 0.00 0.00 178.31 177.07 2k0f h VAL 138 N -0.68 1.11 -0.01 1.41 2.07 -0.36 0.21 116.25 119.99 2k0f h VAL 138 Ca -0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2k0f h VAL 138 Cb 0.62 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2k0f h VAL 138 CO 0.01 0.10 0.01 -0.61 0.02 0.00 0.00 177.57 177.10 2k0f h GLN 139 N 0.28 0.00 0.20 1.57 4.15 -1.57 0.00 115.11 119.74 2k0f h GLN 139 Ca 0.08 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.19 2k0f h GLN 139 Cb 0.05 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.76 2k0f h GLN 139 CO -0.01 0.00 -1.43 1.98 -1.93 0.00 0.00 178.83 177.44 2k0f h MET 140 N 0.00 0.41 0.00 1.69 4.05 -1.02 -3.39 114.93 116.67 2k0f h MET 140 Ca 0.00 -0.71 -0.12 0.00 -0.28 0.00 0.00 59.70 58.60 2k0f h MET 140 Cb 0.03 0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 2k0f h MET 140 CO -0.00 1.33 -1.00 0.52 0.23 0.00 0.00 176.91 177.99 2k0f h MET 141 N 0.11 0.00 0.00 0.39 2.86 0.59 -3.51 114.93 115.37 2k0f h MET 141 Ca -0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2k0f h MET 141 Cb 2.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.75 2k0f h MET 141 CO 0.24 0.31 0.00 0.25 1.06 0.00 0.00 176.91 178.77