#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 -0.19 -0.78 3.07 -2.05 -0.98 114.58 113.66 2k0f h GLU 2 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 2k0f h GLU 2 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2k0f h GLU 2 CO 0.00 0.00 -0.02 0.93 -1.40 0.00 0.00 179.01 178.52 2k0f h GLU 3 N 0.00 0.34 -0.10 2.33 4.39 -2.05 -2.04 114.58 117.45 2k0f h GLU 3 Ca 0.02 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 2k0f h GLU 3 Cb 0.32 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2k0f h GLU 3 CO -0.00 0.57 -0.12 0.37 -1.16 0.00 0.00 179.01 178.68 2k0f h GLN 4 N 0.08 0.26 -0.80 2.33 4.15 -1.64 -3.00 115.11 116.49 2k0f h GLN 4 Ca 0.05 -0.14 0.19 0.00 0.77 0.00 0.00 58.65 59.52 2k0f h GLN 4 Cb 0.43 0.01 -0.13 0.00 0.21 0.00 0.00 27.48 28.00 2k0f h GLN 4 CO 0.01 0.69 0.17 0.82 -1.93 0.00 0.00 178.83 178.59 2k0f h ILE 5 N -0.16 0.40 -0.83 2.39 1.08 -1.50 1.00 117.51 119.88 2k0f h ILE 5 Ca 0.01 -0.08 0.05 0.00 -0.39 0.00 0.00 64.86 64.46 2k0f h ILE 5 Cb 0.65 0.16 -0.06 0.00 -3.07 0.00 0.00 36.82 34.50 2k0f h ILE 5 CO 0.03 0.04 0.52 0.00 -0.69 0.00 0.00 178.15 178.05 2k0f h ALA 6 N 1.70 1.12 0.01 1.87 0.00 -1.38 -1.58 119.26 120.99 2k0f h ALA 6 Ca 0.47 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.14 2k0f h ALA 6 Cb 0.88 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2k0f h ALA 6 CO -0.60 0.31 -1.10 1.49 0.00 0.00 0.00 179.25 179.35 2k0f h GLU 7 N 0.99 0.01 -0.02 0.00 4.81 -1.25 -1.84 114.58 117.29 2k0f h GLU 7 Ca 0.35 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.38 2k0f h GLU 7 Cb 0.09 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2k0f h GLU 7 CO -0.14 0.95 -0.79 0.74 -0.73 0.00 0.00 179.01 179.04 2k0f h PHE 8 N 0.00 0.25 -0.39 0.92 -1.00 -0.81 -2.46 116.94 113.46 2k0f h PHE 8 Ca -0.05 -0.13 -0.12 0.00 2.81 0.00 0.00 57.97 60.49 2k0f h PHE 8 Cb 1.81 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 41.33 2k0f h PHE 8 CO 0.00 0.89 -0.22 -0.22 -1.61 0.00 0.00 178.31 177.15 2k0f h LYS 9 N 0.11 0.83 0.67 1.51 1.63 -1.23 -0.71 116.57 119.38 2k0f h LYS 9 Ca -0.03 -0.38 -0.03 0.00 -0.85 0.00 0.00 60.65 59.36 2k0f h LYS 9 Cb 1.38 -0.02 0.01 0.00 -0.60 0.00 0.00 32.23 33.00 2k0f h LYS 9 CO 0.12 1.02 -0.32 1.49 -3.45 0.00 0.00 179.45 178.30 2k0f h GLU 10 N 0.64 -0.87 -0.64 1.90 4.57 -1.42 -1.45 114.58 117.31 2k0f h GLU 10 Ca 0.08 0.06 0.11 0.00 -1.18 0.00 0.00 59.36 58.43 2k0f h GLU 10 Cb 0.78 0.20 -0.08 0.00 -0.16 0.00 0.00 28.75 29.49 2k0f h GLU 10 CO 0.06 -0.58 0.20 0.00 -1.18 0.00 0.00 179.01 177.52 2k0f h ALA 11 N -0.57 0.81 -0.97 2.92 0.00 -1.37 -0.63 119.26 119.46 2k0f h ALA 11 Ca -0.09 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.03 2k0f h ALA 11 Cb 0.69 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 2k0f h ALA 11 CO 0.15 -0.24 0.61 0.35 0.00 0.00 0.00 179.25 180.12 2k0f h PHE 12 N 0.36 1.10 0.00 0.00 3.04 -1.16 -2.72 116.94 117.57 2k0f h PHE 12 Ca 0.33 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.31 2k0f h PHE 12 Cb 0.46 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.62 2k0f h PHE 12 CO -0.20 0.46 0.00 0.43 -2.02 0.00 0.00 178.31 176.98 2k0f n SER 13 N -4.62 0.00 0.16 0.41 7.64 -0.26 -0.78 113.62 116.17 2k0f n SER 13 Ca 0.17 0.36 0.03 0.00 1.01 0.00 0.00 58.87 60.45 2k0f n SER 13 Cb 0.31 -0.43 0.19 0.00 -1.01 0.00 0.00 64.21 63.27 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 0.00 0.00 -3.43 6.46 -1.33 -3.39 115.31 113.61 2k0f h LEU 14 Ca 0.00 0.00 -0.39 0.00 -0.12 0.00 0.00 57.88 57.37 2k0f h LEU 14 Cb 0.19 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.07 2k0f h LEU 14 CO 0.00 0.47 -2.13 0.49 -0.62 0.00 0.00 178.44 176.65 2k0f n PHE 15 N -3.41 0.35 -2.08 1.25 3.72 -0.52 -4.89 117.46 111.89 2k0f n PHE 15 Ca 0.01 0.15 -0.42 0.00 -0.05 0.00 0.00 57.45 57.13 2k0f n PHE 15 Cb 0.62 -1.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.10 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 -7.26 6.71 -0.26 4.37 2.15 0.04 -4.30 116.67 118.13 2k0f s ASP 16 Ca -0.35 2.13 -0.15 0.00 0.43 0.00 0.00 52.55 54.61 2k0f s ASP 16 Cb 0.12 -2.53 -0.11 0.00 -0.30 0.00 0.00 42.92 40.09 2k0f s ASP 16 CO 0.53 -0.90 -0.34 0.29 -0.17 0.00 0.00 175.17 174.58 2k0f n LYS 17 N 7.05 0.58 0.04 4.34 5.02 -1.26 -4.50 118.16 129.42 2k0f n LYS 17 Ca 0.17 0.26 -0.03 0.00 -2.02 0.00 0.00 58.31 56.70 2k0f n LYS 17 Cb 0.43 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.94 2k0f n LYS 17 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2k0f h ASP 18 N -1.00 -0.20 0.00 4.39 3.04 -1.96 -3.48 116.42 117.22 2k0f h ASP 18 Ca -0.55 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.26 2k0f h ASP 18 Cb 1.47 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.83 2k0f h ASP 18 CO -0.33 -0.09 0.00 0.61 -2.04 0.00 0.00 179.24 177.38 2k0f n GLY 19 N -1.08 0.26 0.07 7.15 0.00 -1.26 -5.04 105.19 105.28 2k0f n GLY 19 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 0.06 0.00 1.61 3.04 -1.95 -3.48 116.42 115.70 2k0f h ASP 20 Ca 0.00 -0.59 0.00 0.00 -3.24 0.00 0.00 57.03 53.20 2k0f h ASP 20 Cb 0.00 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.27 2k0f h ASP 20 CO 0.00 0.64 0.00 0.61 -2.04 0.00 0.00 179.24 178.45 2k0f n GLY 21 N 0.51 1.27 3.01 7.15 0.00 -1.26 -5.11 105.19 110.76 2k0f n GLY 21 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2k0f n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 22 N -2.00 1.57 -0.42 2.61 2.01 -1.26 -3.65 115.64 114.51 2k0f s THR 22 Ca 0.00 -0.68 -0.26 0.00 0.31 0.00 0.00 61.69 61.06 2k0f s THR 22 Cb 0.00 -1.50 0.02 0.00 0.01 0.00 0.00 72.50 71.03 2k0f s THR 22 CO 0.00 0.41 0.93 -0.63 -0.69 0.00 0.00 174.62 174.64 2k0f s ILE 23 N 1.48 4.52 0.46 1.82 1.01 0.19 -4.88 121.20 125.81 2k0f s ILE 23 Ca 0.04 0.97 -0.02 0.00 0.00 0.00 0.00 60.65 61.65 2k0f s ILE 23 Cb -0.13 -4.39 -0.01 0.00 0.01 0.00 0.00 42.46 37.93 2k0f s ILE 23 CO -0.10 -0.70 0.72 0.42 0.00 0.00 0.00 174.94 175.27 2k0f s THR 24 N 3.64 4.30 0.30 2.92 -4.23 -1.26 -2.38 115.64 118.93 2k0f s THR 24 Ca 0.38 -0.26 0.06 0.00 -1.18 0.00 0.00 61.69 60.69 2k0f s THR 24 Cb -0.11 -3.62 0.05 0.00 1.34 0.00 0.00 72.50 70.16 2k0f s THR 24 CO 0.23 -0.50 1.71 0.74 -0.54 0.00 0.00 174.62 176.26 2k0f h THR 25 N 0.32 1.29 -0.65 3.99 2.02 -1.95 -0.02 112.91 117.91 2k0f h THR 25 Ca -0.47 -1.44 -0.02 0.00 0.77 0.00 0.00 66.41 65.25 2k0f h THR 25 Cb 1.24 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 69.23 2k0f h THR 25 CO 0.59 0.43 0.31 0.11 0.37 0.00 0.00 175.52 177.34 2k0f h LYS 26 N 0.24 0.93 0.07 6.66 1.57 -1.98 -1.01 116.57 123.06 2k0f h LYS 26 Ca 0.03 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2k0f h LYS 26 Cb 0.77 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2k0f h LYS 26 CO 0.06 0.74 -0.04 0.93 -0.57 0.00 0.00 179.45 180.58 2k0f h GLU 27 N 0.89 -0.10 -0.52 3.15 5.08 -1.53 -1.34 114.58 120.21 2k0f h GLU 27 Ca 0.22 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.68 2k0f h GLU 27 Cb 0.12 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 2k0f h GLU 27 CO -0.03 0.43 0.12 1.25 -1.00 0.00 0.00 179.01 179.78 2k0f h LEU 28 N -0.71 0.04 -0.26 1.33 5.85 -1.15 -1.24 115.31 119.17 2k0f h LEU 28 Ca -0.01 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2k0f h LEU 28 Cb 0.57 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2k0f h LEU 28 CO 0.02 0.04 -0.00 1.23 -0.34 0.00 0.00 178.44 179.39 2k0f h GLY 29 N 0.27 0.50 0.18 3.75 0.00 -1.20 -0.97 103.07 105.59 2k0f h GLY 29 Ca 0.26 -0.37 0.09 0.00 0.00 0.00 0.00 47.33 47.32 2k0f h GLY 29 CO -0.33 0.34 -0.02 -0.84 0.00 0.00 0.00 176.54 175.70 2k0f h THR 30 N 0.24 0.61 -0.06 4.70 2.02 -1.02 0.31 112.91 119.72 2k0f h THR 30 Ca 0.07 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.24 2k0f h THR 30 Cb 0.42 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2k0f h THR 30 CO 0.01 0.02 -0.05 0.58 0.37 0.00 0.00 175.52 176.45 2k0f h VAL 31 N 0.10 0.86 -0.48 3.16 2.07 -1.14 0.78 116.25 121.59 2k0f h VAL 31 Ca 0.24 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.86 2k0f h VAL 31 Cb 0.37 0.86 -0.10 0.00 -1.52 0.00 0.00 31.29 30.89 2k0f h VAL 31 CO -0.42 0.00 -0.28 0.24 0.02 0.00 0.00 177.57 177.13 2k0f h MET 32 N -0.06 -0.17 0.00 1.57 2.86 -0.95 -0.16 114.93 118.03 2k0f h MET 32 Ca 0.04 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 2k0f h MET 32 Cb 0.12 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2k0f h MET 32 CO -0.10 -0.11 -0.22 0.00 1.06 0.00 0.00 176.91 177.54 2k0f h ARG 33 N -0.17 0.00 -0.09 1.72 3.08 -0.17 -2.08 114.38 116.67 2k0f h ARG 33 Ca 0.21 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 2k0f h ARG 33 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 2k0f h ARG 33 CO -0.58 0.22 -0.15 1.03 -1.07 0.00 0.00 179.97 179.43 2k0f h SER 34 N 0.00 0.28 0.24 7.04 0.87 -0.51 -3.31 113.55 118.17 2k0f h SER 34 Ca -0.00 -0.54 -0.01 0.00 -1.23 0.00 0.00 61.79 60.00 2k0f h SER 34 Cb 0.60 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2k0f h SER 34 CO 0.03 0.77 -0.12 0.25 -0.53 0.00 0.00 176.83 177.23 2k0f h LEU 35 N -0.20 -0.28 0.00 2.23 5.85 -0.95 -3.45 115.31 118.52 2k0f h LEU 35 Ca 0.01 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2k0f h LEU 35 Cb 0.71 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2k0f h LEU 35 CO 0.03 -0.16 0.00 0.61 -0.34 0.00 0.00 178.44 178.59 2k0f n GLY 36 N -1.10 -0.06 3.39 3.75 0.00 -0.81 -4.88 105.19 105.48 2k0f n GLY 36 Ca -0.09 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 2k0f n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 37 N 0.00 1.10 -0.74 1.61 -2.07 -1.02 -5.03 119.66 113.52 2k0f s GLN 37 Ca 0.00 -0.36 0.04 0.00 -1.82 0.00 0.00 55.36 53.22 2k0f s GLN 37 Cb 0.00 0.50 0.19 0.00 -1.09 0.00 0.00 33.01 32.61 2k0f s GLN 37 CO 0.00 -0.43 0.58 0.09 -1.32 0.00 0.00 175.29 174.22 2k0f n ASN 38 N 0.11 3.36 -4.70 12.60 3.02 -1.26 -3.47 115.26 124.92 2k0f n ASN 38 Ca -0.18 -3.22 -0.32 0.00 -0.03 0.00 0.00 54.58 50.83 2k0f n ASN 38 Cb 0.62 -0.81 0.13 0.00 -0.61 0.00 0.00 39.78 39.11 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k0f s PRO 39 N -1.56 1.58 0.72 3.52 0.04 -1.26 -5.09 135.00 132.95 2k0f s PRO 39 Ca 0.27 1.57 0.01 0.00 0.04 0.00 0.00 61.00 62.89 2k0f s PRO 39 Cb -0.03 -1.79 0.13 0.00 0.04 0.00 0.00 34.50 32.86 2k0f s PRO 39 CO -0.15 -2.21 0.99 0.95 0.04 0.00 0.00 177.00 176.62 2k0f s THR 40 N -2.46 2.06 -0.16 1.26 -4.23 -1.26 -5.07 115.64 105.78 2k0f s THR 40 Ca 0.69 -0.66 -0.17 0.00 -1.18 0.00 0.00 61.69 60.36 2k0f s THR 40 Cb -0.24 -2.39 -0.14 0.00 1.34 0.00 0.00 72.50 71.07 2k0f s THR 40 CO 0.53 0.00 0.22 -0.08 -0.54 0.00 0.00 174.62 174.75 2k0f h GLU 41 N -0.48 0.00 0.61 3.99 4.81 -1.98 -3.37 114.58 118.15 2k0f h GLU 41 Ca -0.34 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 2k0f h GLU 41 Cb 1.27 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.65 2k0f h GLU 41 CO 0.38 0.62 -0.29 0.00 -0.73 0.00 0.00 179.01 178.99 2k0f h ALA 42 N -0.57 -0.81 0.00 2.92 0.00 -1.98 0.52 119.26 119.33 2k0f h ALA 42 Ca -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2k0f h ALA 42 Cb 0.86 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k0f h ALA 42 CO -0.08 -0.85 0.00 0.39 0.00 0.00 0.00 179.25 178.71 2k0f n GLU 43 N -5.36 0.02 -0.04 0.00 4.71 -1.26 -1.69 120.64 117.03 2k0f n GLU 43 Ca -0.12 0.34 -0.06 0.00 -0.01 0.00 0.00 57.16 57.31 2k0f n GLU 43 Cb 0.35 -1.55 -0.05 0.00 -1.01 0.00 0.00 31.44 29.18 2k0f n GLU 43 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2k0f h LEU 44 N 0.00 -0.04 -1.22 -4.62 5.85 -1.63 -3.36 115.31 110.29 2k0f h LEU 44 Ca 0.00 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2k0f h LEU 44 Cb 0.19 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2k0f h LEU 44 CO 0.00 0.62 -0.06 0.06 -0.34 0.00 0.00 178.44 178.72 2k0f h GLN 45 N -0.99 0.00 -0.15 1.25 -0.00 -0.39 -1.84 115.11 112.99 2k0f h GLN 45 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.69 2k0f h GLN 45 Cb 0.40 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.82 2k0f h GLN 45 CO 0.01 0.06 -0.19 0.22 -0.00 0.00 0.00 178.83 178.93 2k0f h ASP 46 N 0.00 -0.59 0.43 0.06 3.58 -1.52 -1.39 116.42 116.99 2k0f h ASP 46 Ca -0.00 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2k0f h ASP 46 Cb 0.62 0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2k0f h ASP 46 CO 0.01 -0.24 0.00 0.24 -2.88 0.00 0.00 179.24 176.37 2k0f h MET 47 N -0.23 0.00 0.00 0.28 2.86 -1.47 -2.75 114.93 113.62 2k0f h MET 47 Ca 0.10 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.59 2k0f h MET 47 Cb 0.38 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 2k0f h MET 47 CO -0.28 0.00 -1.03 0.82 1.06 0.00 0.00 176.91 177.47 2k0f h ILE 48 N 0.00 0.80 0.00 -1.22 2.04 -1.23 -3.35 117.51 114.54 2k0f h ILE 48 Ca 0.00 -2.29 -0.06 0.00 1.00 0.00 0.00 64.86 63.51 2k0f h ILE 48 Cb 0.21 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 2k0f h ILE 48 CO 0.00 0.46 -0.29 0.78 0.00 0.00 0.00 178.15 179.10 2k0f h ASN 49 N 0.00 0.00 -0.48 1.72 2.35 -1.02 -1.44 115.58 116.72 2k0f h ASN 49 Ca -0.09 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.73 2k0f h ASN 49 Cb 1.55 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.86 2k0f h ASN 49 CO 0.07 0.29 0.13 -0.08 -1.65 0.00 0.00 177.43 176.18 2k0f h GLU 50 N 0.00 0.28 0.00 0.81 4.57 -1.69 -3.33 114.58 115.21 2k0f h GLU 50 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2k0f h GLU 50 Cb 1.04 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 2k0f h GLU 50 CO 0.04 0.18 -0.89 -0.39 -1.18 0.00 0.00 179.01 176.77 2k0f h VAL 51 N 0.28 0.00 -1.91 0.32 -1.51 -1.71 -3.46 116.25 108.26 2k0f h VAL 51 Ca 0.23 -0.84 -0.65 0.00 -1.23 0.00 0.00 66.70 64.21 2k0f h VAL 51 Cb 0.27 1.36 0.02 0.00 -2.13 0.00 0.00 31.29 30.81 2k0f h VAL 51 CO -0.27 0.00 1.01 -0.67 -1.23 0.00 0.00 177.57 176.41 2k0f n ASP 52 N -2.50 3.10 -0.05 4.19 2.03 -0.56 -4.91 116.55 117.85 2k0f n ASP 52 Ca 0.01 1.01 -0.06 0.00 0.52 0.00 0.00 54.79 56.27 2k0f n ASP 52 Cb 0.52 -1.31 -0.02 0.00 -0.72 0.00 0.00 41.12 39.58 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 5.97 1.34 -0.04 -1.67 0.00 -1.26 -4.84 120.51 120.02 2k0f n ALA 53 Ca 0.23 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2k0f n ALA 53 Cb 0.25 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k0f n ASP 54 N -4.07 0.00 0.00 0.00 5.68 -1.26 -4.96 116.55 111.93 2k0f n ASP 54 Ca -0.10 0.98 0.00 0.00 -0.50 0.00 0.00 54.79 55.18 2k0f n ASP 54 Cb 0.36 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N -0.99 0.00 0.00 6.12 0.00 -1.26 -5.06 105.19 104.00 2k0f n GLY 55 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 3.29 -0.30 1.61 0.23 -1.26 -5.01 115.26 113.81 2k0f n ASN 56 Ca 0.00 -0.08 -0.04 0.00 -0.53 0.00 0.00 54.58 53.93 2k0f n ASN 56 Cb 0.00 1.22 -0.01 0.00 -2.08 0.00 0.00 39.78 38.91 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 2.05 0.54 3.26 4.83 0.00 -1.26 -5.05 105.19 109.56 2k0f n GLY 57 Ca -0.01 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.14 0.65 -0.31 2.61 -4.23 -1.26 -4.60 115.64 106.36 2k0f s THR 58 Ca 0.00 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 58.39 2k0f s THR 58 Cb 0.00 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 2k0f s THR 58 CO 0.00 -0.37 0.30 -0.51 -0.54 0.00 0.00 174.62 173.50 2k0f s ILE 59 N -3.68 5.23 0.47 2.99 2.07 -1.00 -4.76 121.20 122.51 2k0f s ILE 59 Ca 0.27 0.13 0.06 0.00 -1.41 0.00 0.00 60.65 59.70 2k0f s ILE 59 Cb 0.06 -3.71 0.02 0.00 0.13 0.00 0.00 42.46 38.97 2k0f s ILE 59 CO 0.06 0.05 0.64 -1.81 -1.91 0.00 0.00 174.94 171.98 2k0f s ASP 60 N 1.72 5.51 0.24 4.50 1.11 -1.26 -0.63 116.67 127.85 2k0f s ASP 60 Ca 0.10 -0.29 -0.06 0.00 0.18 0.00 0.00 52.55 52.48 2k0f s ASP 60 Cb -0.16 -0.71 0.35 0.00 1.07 0.00 0.00 42.92 43.47 2k0f s ASP 60 CO 0.11 -0.90 1.81 0.15 1.18 0.00 0.00 175.17 177.52 2k0f h PHE 61 N 0.44 0.82 0.00 4.23 3.04 -1.99 -2.71 116.94 120.77 2k0f h PHE 61 Ca -0.40 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.53 2k0f h PHE 61 Cb 1.29 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.54 2k0f h PHE 61 CO 0.39 0.36 -0.19 -1.35 -2.02 0.00 0.00 178.31 175.49 2k0f h PRO 62 N 0.78 0.00 0.21 6.41 0.11 -1.95 -1.19 132.00 136.37 2k0f h PRO 62 Ca 0.37 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.47 2k0f h PRO 62 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 2k0f h PRO 62 CO -0.23 0.19 -0.10 0.93 -0.21 0.00 0.00 178.00 178.58 2k0f h GLU 63 N 0.00 -0.28 -0.67 1.05 5.08 -1.84 0.14 114.58 118.07 2k0f h GLU 63 Ca -0.00 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.52 2k0f h GLU 63 Cb 0.61 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.79 2k0f h GLU 63 CO 0.02 -0.01 -0.14 0.34 -1.00 0.00 0.00 179.01 178.22 2k0f n PHE 64 N -4.96 0.27 0.04 4.33 -0.00 -1.13 -0.07 117.46 115.94 2k0f n PHE 64 Ca -0.06 0.81 -0.09 0.00 -0.00 0.00 0.00 57.45 58.12 2k0f n PHE 64 Cb 0.20 -0.91 0.05 0.00 -0.00 0.00 0.00 39.48 38.82 2k0f n PHE 64 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2k0f h LEU 65 N 0.00 0.51 0.10 -2.13 5.85 -0.97 -2.24 115.31 116.42 2k0f h LEU 65 Ca 0.33 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2k0f h LEU 65 Cb 0.54 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2k0f h LEU 65 CO -0.68 1.02 -0.05 0.74 -0.34 0.00 0.00 178.44 179.14 2k0f h THR 66 N 0.32 0.93 -0.90 1.05 2.02 -0.52 -3.21 112.91 112.60 2k0f h THR 66 Ca -0.01 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.09 2k0f h THR 66 Cb 1.20 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.56 2k0f h THR 66 CO 0.11 0.03 0.58 -0.03 0.37 0.00 0.00 175.52 176.58 2k0f h MET 67 N -0.18 1.10 0.07 6.66 1.85 -0.36 -0.06 114.93 124.00 2k0f h MET 67 Ca -0.01 -0.07 -0.24 0.00 -0.61 0.00 0.00 59.70 58.77 2k0f h MET 67 Cb 0.15 -0.25 -0.01 0.00 0.43 0.00 0.00 31.60 31.92 2k0f h MET 67 CO 0.02 0.73 -1.10 0.52 -0.40 0.00 0.00 176.91 176.68 2k0f h MET 68 N 1.13 0.18 0.28 0.39 2.07 -1.57 -3.39 114.93 114.03 2k0f h MET 68 Ca 0.36 -0.28 -0.01 0.00 -2.07 0.00 0.00 59.70 57.69 2k0f h MET 68 Cb -0.01 0.10 0.00 0.00 -1.87 0.00 0.00 31.60 29.83 2k0f h MET 68 CO -0.11 1.11 -0.13 0.00 1.07 0.00 0.00 176.91 178.84 2k0f h ALA 69 N 0.78 -0.37 -2.74 6.32 0.00 -1.39 -3.46 119.26 118.40 2k0f h ALA 69 Ca -0.08 -0.14 -0.52 0.00 0.00 0.00 0.00 54.91 54.18 2k0f h ALA 69 Cb 1.82 0.14 0.08 0.00 0.00 0.00 0.00 17.79 19.84 2k0f h ALA 69 CO 0.17 -0.37 0.49 0.50 0.00 0.00 0.00 179.25 180.04 2k0f s ARG 70 N -3.06 3.50 -0.08 0.00 3.52 -0.10 -5.02 118.95 117.72 2k0f s ARG 70 Ca -0.08 1.82 -0.10 0.00 -0.13 0.00 0.00 55.73 57.24 2k0f s ARG 70 Cb 0.01 -2.26 -0.05 0.00 -1.56 0.00 0.00 34.95 31.09 2k0f s ARG 70 CO 0.27 -0.78 0.24 0.21 -0.81 0.00 0.00 175.30 174.43 2k0f s LYS 71 N -2.90 3.64 0.32 5.12 2.20 -1.26 -4.89 119.74 121.97 2k0f s LYS 71 Ca 0.68 0.07 0.08 0.00 -0.36 0.00 0.00 55.97 56.44 2k0f s LYS 71 Cb -0.30 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 2k0f s LYS 71 CO 0.35 0.73 0.14 -1.64 -0.36 0.00 0.00 175.35 174.57 2k0f s MET 72 N -0.99 2.43 0.67 4.03 -1.94 -1.26 -5.11 119.30 117.13 2k0f s MET 72 Ca 0.18 -1.47 -0.12 0.00 -1.71 0.00 0.00 55.69 52.56 2k0f s MET 72 Cb -0.14 -2.23 0.00 0.00 2.01 0.00 0.00 34.83 34.48 2k0f s MET 72 CO 0.07 0.16 1.06 -1.59 -0.01 0.00 0.00 175.02 174.72 2k0f s LYS 73 N -3.83 2.98 0.50 2.03 -2.85 -1.26 -4.86 119.74 112.45 2k0f s LYS 73 Ca 0.37 1.05 0.19 0.00 -1.00 0.00 0.00 55.97 56.58 2k0f s LYS 73 Cb -0.04 -1.99 1.26 0.00 -2.06 0.00 0.00 37.83 35.00 2k0f s LYS 73 CO 0.23 -1.07 2.04 -0.44 0.10 0.00 0.00 175.35 176.21 2k0f h ASP 74 N -0.43 0.09 0.57 0.03 3.32 -1.99 -2.86 116.42 115.15 2k0f h ASP 74 Ca -0.45 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 2k0f h ASP 74 Cb 1.21 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.75 2k0f h ASP 74 CO 0.56 0.06 -0.27 0.71 -1.72 0.00 0.00 179.24 178.58 2k0f h THR 75 N 0.10 0.33 -0.41 0.35 1.35 -1.99 -2.58 112.91 110.06 2k0f h THR 75 Ca 0.17 -0.31 0.09 0.00 -0.55 0.00 0.00 66.41 65.81 2k0f h THR 75 Cb 0.56 0.43 -0.09 0.00 -1.73 0.00 0.00 68.15 67.33 2k0f h THR 75 CO -0.02 0.04 -0.16 0.44 -0.25 0.00 0.00 175.52 175.57 2k0f h ASP 76 N -0.99 -0.55 0.15 5.36 3.32 -1.89 -2.55 116.42 119.26 2k0f h ASP 76 Ca -0.08 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2k0f h ASP 76 Cb 0.65 0.32 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2k0f h ASP 76 CO 0.13 -0.19 0.00 0.28 -1.72 0.00 0.00 179.24 177.73 2k0f h SER 77 N -0.07 0.00 0.17 6.45 0.02 -1.47 -2.33 113.55 116.32 2k0f h SER 77 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2k0f h SER 77 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2k0f h SER 77 CO -0.47 0.00 -0.19 1.21 -1.14 0.00 0.00 176.83 176.24 2k0f n GLU 78 N -2.69 1.06 -0.12 3.45 4.07 -0.96 -3.47 120.64 121.97 2k0f n GLU 78 Ca -0.02 -0.62 -0.23 0.00 -0.06 0.00 0.00 57.16 56.24 2k0f n GLU 78 Cb 0.09 -1.49 -0.11 0.00 -0.06 0.00 0.00 31.44 29.87 2k0f n GLU 78 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2k0f n GLU 79 N -0.43 0.63 -0.22 5.31 -0.58 -0.88 -4.56 120.64 119.92 2k0f n GLU 79 Ca 0.14 0.22 -0.11 0.00 -0.42 0.00 0.00 57.16 56.99 2k0f n GLU 79 Cb 0.35 -1.54 -0.07 0.00 -0.57 0.00 0.00 31.44 29.62 2k0f n GLU 79 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2k0f h GLU 80 N -0.38 -0.24 -0.03 3.49 4.81 -1.59 -2.05 114.58 118.59 2k0f h GLU 80 Ca -0.60 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.60 2k0f h GLU 80 Cb 1.79 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.21 2k0f h GLU 80 CO -0.20 -0.16 -0.22 0.82 -0.73 0.00 0.00 179.01 178.53 2k0f h ILE 81 N -0.25 1.17 -0.05 2.32 1.08 -1.84 -2.67 117.51 117.28 2k0f h ILE 81 Ca 0.14 -0.82 -0.13 0.00 -0.39 0.00 0.00 64.86 63.66 2k0f h ILE 81 Cb 0.55 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.69 2k0f h ILE 81 CO -0.70 0.24 -0.57 0.03 -0.69 0.00 0.00 178.15 176.45 2k0f h ARG 82 N 0.05 0.15 -0.16 2.37 3.08 -1.61 -0.94 114.38 117.31 2k0f h ARG 82 Ca 0.01 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2k0f h ARG 82 Cb 0.42 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2k0f h ARG 82 CO 0.03 0.68 0.04 0.93 -1.07 0.00 0.00 179.97 180.58 2k0f h GLU 83 N 0.11 0.25 0.00 0.04 4.39 -1.38 -0.16 114.58 117.83 2k0f h GLU 83 Ca -0.00 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2k0f h GLU 83 Cb 1.05 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2k0f h GLU 83 CO 0.08 0.38 -0.10 0.00 -1.16 0.00 0.00 179.01 178.22 2k0f h ALA 84 N 0.85 1.62 -0.05 3.43 0.00 -1.28 -2.48 119.26 121.35 2k0f h ALA 84 Ca 0.05 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 2k0f h ALA 84 Cb 0.24 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2k0f h ALA 84 CO -0.00 0.13 -0.89 0.35 0.00 0.00 0.00 179.25 178.84 2k0f h PHE 85 N 0.00 0.81 -0.05 0.00 3.57 -1.00 -3.20 116.94 117.06 2k0f h PHE 85 Ca -0.00 -0.41 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2k0f h PHE 85 Cb 0.21 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2k0f h PHE 85 CO 0.00 1.22 0.00 0.54 -2.23 0.00 0.00 178.31 177.84 2k0f n ARG 86 N -3.83 1.16 -0.04 1.11 1.74 -0.09 -0.60 116.66 116.10 2k0f n ARG 86 Ca -0.07 -0.24 -0.08 0.00 -0.77 0.00 0.00 57.85 56.69 2k0f n ARG 86 Cb 0.80 -1.17 -0.07 0.00 -1.02 0.00 0.00 32.46 31.00 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k0f h VAL 87 N 0.43 0.90 0.03 1.55 2.07 -1.45 -3.41 116.25 116.37 2k0f h VAL 87 Ca 0.00 -1.60 -0.21 0.00 0.82 0.00 0.00 66.70 65.70 2k0f h VAL 87 Cb 0.10 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2k0f h VAL 87 CO 0.00 0.30 -0.99 -0.26 0.02 0.00 0.00 177.57 176.63 2k0f h PHE 88 N -0.98 0.19 -3.40 1.57 0.04 -1.48 -3.39 116.94 109.50 2k0f h PHE 88 Ca -0.00 -0.13 -0.58 0.00 2.80 0.00 0.00 57.97 60.06 2k0f h PHE 88 Cb 0.51 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.58 2k0f h PHE 88 CO 0.13 1.03 0.78 0.34 -0.60 0.00 0.00 178.31 179.99 2k0f s ASP 89 N -6.88 6.83 -0.22 2.17 2.15 0.23 -4.66 116.67 116.30 2k0f s ASP 89 Ca -0.01 0.87 -0.21 0.00 0.43 0.00 0.00 52.55 53.63 2k0f s ASP 89 Cb 0.10 -2.52 -0.18 0.00 -0.30 0.00 0.00 42.92 40.01 2k0f s ASP 89 CO 0.83 -0.91 0.14 1.17 -0.17 0.00 0.00 175.17 176.23 2k0f n LYS 90 N 6.93 0.57 0.10 4.34 4.81 -1.26 -4.66 118.16 128.99 2k0f n LYS 90 Ca 0.11 0.54 -0.04 0.00 -0.87 0.00 0.00 58.31 58.04 2k0f n LYS 90 Cb 0.48 -1.72 -0.02 0.00 0.02 0.00 0.00 35.03 33.79 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2k0f h ASP 91 N -1.00 -0.23 0.00 3.14 3.04 -1.94 -3.49 116.42 115.94 2k0f h ASP 91 Ca -0.39 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.41 2k0f h ASP 91 Cb 1.34 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 39.69 2k0f h ASP 91 CO -0.24 -0.12 0.00 0.61 -2.04 0.00 0.00 179.24 177.46 2k0f n GLY 92 N -0.19 -0.41 0.11 7.15 0.00 -1.26 -5.06 105.19 105.52 2k0f n GLY 92 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.94 -3.47 115.58 110.70 2k0f h ASN 93 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 56.30 56.28 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 0.05 0.00 0.61 0.07 0.00 0.00 177.43 178.16 2k0f n GLY 94 N 1.26 0.71 3.01 9.14 0.00 -1.26 -5.07 105.19 112.98 2k0f n GLY 94 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.50 2.65 -0.34 1.61 2.02 -1.26 -4.52 117.35 115.01 2k0f s TYR 95 Ca 0.00 -1.82 -0.28 0.00 -0.37 0.00 0.00 57.07 54.59 2k0f s TYR 95 Cb 0.00 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 2k0f s TYR 95 CO 0.00 -0.79 1.80 0.42 -1.57 0.00 0.00 175.55 175.41 2k0f s ILE 96 N 1.31 3.47 0.43 2.71 1.01 -0.97 -4.89 121.20 124.28 2k0f s ILE 96 Ca -0.04 0.47 0.06 0.00 0.00 0.00 0.00 60.65 61.15 2k0f s ILE 96 Cb -0.18 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.65 2k0f s ILE 96 CO -0.07 -0.43 0.59 -0.94 0.00 0.00 0.00 174.94 174.09 2k0f s SER 97 N 6.15 5.65 0.23 3.58 1.04 -1.26 -1.45 113.70 127.64 2k0f s SER 97 Ca 0.79 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.95 2k0f s SER 97 Cb -0.22 -0.81 0.24 0.00 0.10 0.00 0.00 66.02 65.33 2k0f s SER 97 CO 0.33 -0.77 1.57 0.00 0.98 0.00 0.00 173.24 175.35 2k0f h ALA 98 N 0.58 0.85 -0.81 5.32 0.00 -1.95 -2.04 119.26 121.20 2k0f h ALA 98 Ca -0.41 -0.51 0.20 0.00 0.00 0.00 0.00 54.91 54.18 2k0f h ALA 98 Cb 1.28 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 2k0f h ALA 98 CO 0.48 0.69 0.17 0.00 0.00 0.00 0.00 179.25 180.59 2k0f h ALA 99 N 1.15 1.07 0.18 0.00 0.00 -1.96 -2.02 119.26 117.69 2k0f h ALA 99 Ca 0.00 0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.89 2k0f h ALA 99 Cb 1.05 0.31 0.03 0.00 0.00 0.00 0.00 17.79 19.18 2k0f h ALA 99 CO 0.09 -0.41 -1.01 0.93 0.00 0.00 0.00 179.25 178.85 2k0f h GLU 100 N 0.21 0.38 -0.75 0.00 5.08 -1.79 -3.32 114.58 114.38 2k0f h GLU 100 Ca 0.48 -0.64 0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2k0f h GLU 100 Cb 0.90 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 30.34 2k0f h GLU 100 CO -0.61 1.31 0.49 1.25 -1.00 0.00 0.00 179.01 180.45 2k0f h LEU 101 N -0.22 0.65 0.37 1.33 5.85 -0.68 -1.55 115.31 121.07 2k0f h LEU 101 Ca -0.18 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2k0f h LEU 101 Cb 1.80 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.68 2k0f h LEU 101 CO 0.19 0.40 -0.44 0.03 -0.34 0.00 0.00 178.44 178.28 2k0f h ARG 102 N 0.73 -0.80 -0.29 1.25 3.08 -1.59 -1.56 114.38 115.19 2k0f h ARG 102 Ca 0.33 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.44 2k0f h ARG 102 Cb 0.35 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2k0f h ARG 102 CO -0.12 -0.54 0.16 1.25 -1.07 0.00 0.00 179.97 179.66 2k0f h HIS 103 N -0.83 0.39 0.04 3.04 2.76 -1.51 -2.24 115.15 116.80 2k0f h HIS 103 Ca -0.05 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2k0f h HIS 103 Cb 0.74 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.58 2k0f h HIS 103 CO -0.27 0.30 -0.02 0.28 -1.30 0.00 0.00 177.93 176.92 2k0f h VAL 104 N 0.36 1.30 -0.13 5.26 2.07 -1.33 -2.08 116.25 121.69 2k0f h VAL 104 Ca 0.10 -1.18 0.04 0.00 0.82 0.00 0.00 66.70 66.48 2k0f h VAL 104 Cb 0.04 2.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 2k0f h VAL 104 CO -0.02 0.29 -0.16 0.24 0.02 0.00 0.00 177.57 177.95 2k0f h MET 105 N -0.59 -0.19 -0.64 1.57 2.07 -1.33 -1.55 114.93 114.28 2k0f h MET 105 Ca -0.01 0.01 0.13 0.00 -2.07 0.00 0.00 59.70 57.77 2k0f h MET 105 Cb 0.53 0.04 -0.11 0.00 -1.87 0.00 0.00 31.60 30.19 2k0f h MET 105 CO 0.01 -0.12 0.02 1.15 1.07 0.00 0.00 176.91 179.03 2k0f h THR 106 N -0.19 0.48 -0.09 2.22 2.02 -1.34 0.89 112.91 116.90 2k0f h THR 106 Ca 0.10 -0.04 -0.12 0.00 0.77 0.00 0.00 66.41 67.11 2k0f h THR 106 Cb 0.33 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2k0f h THR 106 CO -0.25 0.02 -0.50 0.78 0.37 0.00 0.00 175.52 175.95 2k0f h ASN 107 N 0.13 0.25 -0.71 4.18 2.35 -1.06 -2.95 115.58 117.76 2k0f h ASN 107 Ca 0.34 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 2k0f h ASN 107 Cb 0.55 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 2k0f h ASN 107 CO -0.54 0.70 0.39 0.25 -1.65 0.00 0.00 177.43 176.58 2k0f h LEU 108 N 0.18 0.89 0.00 1.61 5.85 -0.92 -3.37 115.31 119.55 2k0f h LEU 108 Ca 0.01 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2k0f h LEU 108 Cb 0.94 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.75 2k0f h LEU 108 CO 0.08 0.73 0.00 0.61 -0.34 0.00 0.00 178.44 179.52 2k0f n GLY 109 N -1.08 0.56 3.70 3.75 0.00 -0.13 -4.93 105.19 107.07 2k0f n GLY 109 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 4.42 -0.51 1.61 0.41 0.12 -4.93 118.70 119.82 2k0f s GLU 110 Ca 0.00 0.96 -0.14 0.00 -0.41 0.00 0.00 54.97 55.39 2k0f s GLU 110 Cb 0.00 -3.48 0.12 0.00 -1.78 0.00 0.00 34.13 28.99 2k0f s GLU 110 CO 0.00 -0.03 0.43 0.15 -0.49 0.00 0.00 175.26 175.32 2k0f s LYS 111 N 1.11 2.83 -0.05 1.61 1.02 -1.26 -3.11 119.74 121.89 2k0f s LYS 111 Ca 0.39 -1.66 -0.13 0.00 0.02 0.00 0.00 55.97 54.58 2k0f s LYS 111 Cb -0.18 -4.15 -0.05 0.00 -0.52 0.00 0.00 37.83 32.93 2k0f s LYS 111 CO 0.18 -1.23 0.35 -0.51 -0.92 0.00 0.00 175.35 173.21 2k0f s LEU 112 N 1.53 4.42 0.00 3.17 1.02 -1.26 -5.12 118.68 122.44 2k0f s LEU 112 Ca 0.04 0.80 0.04 0.00 0.02 0.00 0.00 54.13 55.03 2k0f s LEU 112 Cb -0.28 -2.47 0.04 0.00 0.02 0.00 0.00 46.19 43.51 2k0f s LEU 112 CO 0.02 0.29 0.35 0.35 0.02 0.00 0.00 176.35 177.39 2k0f n THR 113 N 2.20 0.00 0.03 5.49 -2.24 -1.26 -4.90 114.28 113.60 2k0f n THR 113 Ca -0.14 -0.94 -0.13 0.00 -2.27 0.00 0.00 64.05 60.56 2k0f n THR 113 Cb 0.53 -0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 68.05 2k0f n THR 113 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2k0f h ASP 114 N 0.09 0.66 -0.00 3.42 3.58 -2.00 -0.73 116.42 121.43 2k0f h ASP 114 Ca -0.14 -0.45 -0.00 0.00 0.42 0.00 0.00 57.03 56.86 2k0f h ASP 114 Cb 0.60 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.45 2k0f h ASP 114 CO 0.20 1.23 0.00 1.05 -2.88 0.00 0.00 179.24 178.83 2k0f h GLU 115 N 0.36 0.01 -0.16 0.28 4.11 -1.99 -2.15 114.58 115.04 2k0f h GLU 115 Ca -0.05 -0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.43 2k0f h GLU 115 Cb 1.41 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.60 2k0f h GLU 115 CO 0.15 0.26 -0.24 0.93 0.07 0.00 0.00 179.01 180.18 2k0f h GLU 116 N -0.25 -0.28 -0.58 1.06 5.08 -1.93 0.41 114.58 118.08 2k0f h GLU 116 Ca 0.00 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 2k0f h GLU 116 Cb 0.26 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.46 2k0f h GLU 116 CO 0.00 -0.19 -0.35 0.28 -1.00 0.00 0.00 179.01 177.75 2k0f h VAL 117 N -0.29 0.16 0.51 3.13 2.07 -1.11 0.18 116.25 120.90 2k0f h VAL 117 Ca 0.11 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 2k0f h VAL 117 Cb 0.46 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2k0f h VAL 117 CO -0.33 0.00 -0.37 -0.78 0.02 0.00 0.00 177.57 176.11 2k0f h ASP 118 N -0.18 -0.98 -0.45 0.57 3.58 -1.27 -1.67 116.42 116.03 2k0f h ASP 118 Ca 0.22 0.07 0.09 0.00 0.42 0.00 0.00 57.03 57.83 2k0f h ASP 118 Cb 0.55 0.31 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 2k0f h ASP 118 CO -0.67 -0.56 0.31 -0.08 -2.88 0.00 0.00 179.24 175.36 2k0f h GLU 119 N -0.86 0.23 0.00 0.28 4.81 -0.68 0.16 114.58 118.52 2k0f h GLU 119 Ca -0.05 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 2k0f h GLU 119 Cb 0.73 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 2k0f h GLU 119 CO 0.01 0.15 -0.57 0.52 -0.73 0.00 0.00 179.01 178.39 2k0f h MET 120 N 0.23 0.00 -0.07 1.92 2.86 -0.31 -0.55 114.93 119.01 2k0f h MET 120 Ca 0.21 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.62 2k0f h MET 120 Cb 0.51 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.18 2k0f h MET 120 CO -0.04 0.57 -0.82 0.82 1.06 0.00 0.00 176.91 178.51 2k0f h ILE 121 N 0.00 1.31 -0.01 -1.22 1.08 -0.30 -3.16 117.51 115.21 2k0f h ILE 121 Ca -0.01 -2.06 -0.00 0.00 -0.39 0.00 0.00 64.86 62.40 2k0f h ILE 121 Cb 1.08 2.23 -0.00 0.00 -3.07 0.00 0.00 36.82 37.06 2k0f h ILE 121 CO 0.07 0.64 0.00 -0.09 -0.69 0.00 0.00 178.15 178.08 2k0f h ARG 122 N 0.35 0.01 -0.47 2.37 2.43 -0.89 0.32 114.38 118.50 2k0f h ARG 122 Ca -0.08 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 2k0f h ARG 122 Cb 1.47 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.99 2k0f h ARG 122 CO 0.16 0.13 -0.04 1.49 -1.51 0.00 0.00 179.97 180.21 2k0f h GLU 123 N -0.12 0.80 -0.16 0.20 4.81 -1.24 -2.83 114.58 116.04 2k0f h GLU 123 Ca 0.00 -0.24 -0.21 0.00 -0.13 0.00 0.00 59.36 58.78 2k0f h GLU 123 Cb 0.13 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.43 2k0f h GLU 123 CO -0.00 0.84 -0.72 0.00 -0.73 0.00 0.00 179.01 178.39 2k0f h ALA 124 N 1.21 0.30 -2.86 2.92 0.00 -1.51 -3.46 119.26 115.87 2k0f h ALA 124 Ca 0.14 -0.58 -0.53 0.00 0.00 0.00 0.00 54.91 53.94 2k0f h ALA 124 Cb 0.51 -0.02 0.10 0.00 0.00 0.00 0.00 17.79 18.38 2k0f h ALA 124 CO 0.03 0.64 0.56 0.34 0.00 0.00 0.00 179.25 180.81 2k0f s ASP 125 N -7.04 5.82 -0.16 0.00 2.15 0.10 -4.58 116.67 112.96 2k0f s ASP 125 Ca -0.11 2.55 -0.14 0.00 0.43 0.00 0.00 52.55 55.29 2k0f s ASP 125 Cb 0.08 -2.62 -0.07 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 125 CO 0.89 -1.18 -0.29 -0.38 -0.17 0.00 0.00 175.17 174.05 2k0f n ILE 126 N -0.61 1.38 0.13 4.11 5.41 -1.26 -4.80 119.36 123.71 2k0f n ILE 126 Ca 0.08 0.02 -0.13 0.00 1.00 0.00 0.00 62.75 63.72 2k0f n ILE 126 Cb 0.46 -2.08 -0.08 0.00 -0.71 0.00 0.00 39.64 37.24 2k0f n ILE 126 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2k0f h ASP 127 N -0.81 -1.23 0.00 4.38 3.32 -1.93 -3.46 116.42 116.68 2k0f h ASP 127 Ca -0.19 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2k0f h ASP 127 Cb 1.04 0.44 0.00 0.00 0.22 0.00 0.00 39.33 41.04 2k0f h ASP 127 CO -0.12 -0.47 0.00 0.61 -1.72 0.00 0.00 179.24 177.55 2k0f n GLY 128 N -1.40 1.32 0.14 2.75 0.00 -1.26 -5.04 105.19 101.70 2k0f n GLY 128 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.00 1.61 2.03 -1.98 -3.48 116.42 114.61 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 129 CO 0.00 0.39 0.00 0.61 -1.03 0.00 0.00 179.24 179.21 2k0f n GLY 130 N 1.23 0.76 3.37 7.15 0.00 -1.26 -5.07 105.19 111.37 2k0f n GLY 130 Ca -0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.64 3.43 -0.51 1.61 -1.52 -1.26 -4.32 119.66 116.43 2k0f s GLN 131 Ca 0.00 -0.64 -0.21 0.00 -1.95 0.00 0.00 55.36 52.56 2k0f s GLN 131 Cb 0.00 -2.79 0.05 0.00 -0.22 0.00 0.00 33.01 30.05 2k0f s GLN 131 CO 0.00 0.09 0.73 0.08 -0.25 0.00 0.00 175.29 175.95 2k0f s VAL 132 N 0.69 4.71 0.67 1.09 1.01 -0.53 -4.83 120.40 123.20 2k0f s VAL 132 Ca -0.05 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2k0f s VAL 132 Cb -0.15 -4.37 0.10 0.00 0.00 0.00 0.00 36.38 31.96 2k0f s VAL 132 CO 0.02 -0.89 0.92 0.54 0.00 0.00 0.00 175.10 175.69 2k0f s ASN 133 N 2.68 4.64 0.12 3.32 4.22 -1.26 -2.29 114.94 126.36 2k0f s ASN 133 Ca 0.21 -0.32 -0.21 0.00 -2.14 0.00 0.00 52.86 50.40 2k0f s ASN 133 Cb -0.16 -0.20 -0.07 0.00 1.28 0.00 0.00 41.25 42.10 2k0f s ASN 133 CO 0.15 -1.64 1.71 0.22 -2.04 0.00 0.00 177.10 175.50 2k0f h TYR 134 N -0.32 -0.10 0.00 1.54 3.20 -1.97 -2.01 116.97 117.31 2k0f h TYR 134 Ca -0.37 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.50 2k0f h TYR 134 Cb 1.28 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.61 2k0f h TYR 134 CO 0.00 -0.07 -0.06 0.93 -1.64 0.00 0.00 178.16 177.32 2k0f h GLU 135 N -0.02 0.00 -0.11 1.82 5.08 -1.98 0.16 114.58 119.53 2k0f h GLU 135 Ca 0.06 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 135 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2k0f h GLU 135 CO -0.14 0.06 -0.21 0.93 -1.00 0.00 0.00 179.01 178.65 2k0f h GLU 136 N 0.00 0.34 -0.66 2.33 5.08 -1.86 0.09 114.58 119.91 2k0f h GLU 136 Ca -0.00 -0.22 0.14 0.00 -1.00 0.00 0.00 59.36 58.28 2k0f h GLU 136 Cb 0.12 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2k0f h GLU 136 CO 0.01 0.81 0.45 0.35 -1.00 0.00 0.00 179.01 179.63 2k0f h PHE 137 N -0.09 0.34 0.11 4.33 3.04 -0.88 0.32 116.94 124.12 2k0f h PHE 137 Ca 0.00 0.01 -0.19 0.00 3.98 0.00 0.00 57.97 61.77 2k0f h PHE 137 Cb 0.80 -0.11 0.02 0.00 2.56 0.00 0.00 35.95 39.22 2k0f h PHE 137 CO 0.10 0.14 -0.81 0.28 -2.02 0.00 0.00 178.31 176.01 2k0f h VAL 138 N 0.30 1.47 -0.13 1.41 2.07 -0.91 -2.76 116.25 117.70 2k0f h VAL 138 Ca 0.32 -2.41 -0.05 0.00 0.82 0.00 0.00 66.70 65.38 2k0f h VAL 138 Cb 0.82 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 2k0f h VAL 138 CO -0.08 0.69 -0.14 1.56 0.02 0.00 0.00 177.57 179.62 2k0f h GLN 139 N -0.23 0.20 0.45 1.57 1.08 -0.83 -1.85 115.11 115.51 2k0f h GLN 139 Ca -0.13 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.01 2k0f h GLN 139 Cb 1.59 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.97 2k0f h GLN 139 CO 0.15 0.35 -0.47 1.98 -0.95 0.00 0.00 178.83 179.90 2k0f h MET 140 N 0.20 -0.90 -0.20 1.46 4.05 -0.41 -3.36 114.93 115.77 2k0f h MET 140 Ca 0.04 0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.46 2k0f h MET 140 Cb 0.38 0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.38 2k0f h MET 140 CO 0.02 -0.60 -0.13 1.98 0.23 0.00 0.00 176.91 178.41 2k0f h MET 141 N -0.94 0.44 0.00 0.39 1.85 -1.36 -3.51 114.93 111.80 2k0f h MET 141 Ca -0.05 -0.21 0.00 0.00 -0.61 0.00 0.00 59.70 58.83 2k0f h MET 141 Cb 0.83 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.85 2k0f h MET 141 CO -0.08 0.76 0.00 2.41 -0.40 0.00 0.00 176.91 179.60