#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 -0.37 -0.78 4.57 -2.05 -3.00 114.58 113.19 2k0f h GLU 2 Ca 0.00 -0.13 -0.09 0.00 -1.18 0.00 0.00 59.36 57.96 2k0f h GLU 2 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2k0f h GLU 2 CO 0.00 0.66 -0.12 1.05 -1.18 0.00 0.00 179.01 179.42 2k0f h GLU 3 N 0.20 0.73 -0.73 1.92 -0.00 -2.05 0.34 114.58 114.98 2k0f h GLU 3 Ca 0.01 -0.29 -0.03 0.00 -0.00 0.00 0.00 59.36 59.06 2k0f h GLU 3 Cb 0.89 -0.03 -0.03 0.00 -0.00 0.00 0.00 28.75 29.57 2k0f h GLU 3 CO 0.07 0.89 0.35 1.96 -0.00 0.00 0.00 179.01 182.28 2k0f h GLN 4 N 0.52 1.04 -0.97 1.06 4.20 -1.98 -0.84 115.11 118.14 2k0f h GLN 4 Ca 0.09 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.69 2k0f h GLN 4 Cb 0.64 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 2k0f h GLN 4 CO 0.04 0.80 0.64 0.82 -0.67 0.00 0.00 178.83 180.46 2k0f h ILE 5 N 1.03 1.19 -0.13 2.54 1.08 -1.28 -1.06 117.51 120.88 2k0f h ILE 5 Ca 0.25 -0.43 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2k0f h ILE 5 Cb 0.10 -0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 33.68 2k0f h ILE 5 CO -0.03 0.23 0.03 0.00 -0.69 0.00 0.00 178.15 177.69 2k0f h ALA 6 N 1.43 1.82 0.11 1.87 0.00 0.73 0.79 119.26 126.02 2k0f h ALA 6 Ca 0.38 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.93 2k0f h ALA 6 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k0f h ALA 6 CO -0.11 0.15 -1.55 1.49 0.00 0.00 0.00 179.25 179.23 2k0f h GLU 7 N 0.18 0.24 -0.17 0.00 4.57 -0.80 -1.88 114.58 116.72 2k0f h GLU 7 Ca 0.05 -0.41 -0.07 0.00 -1.18 0.00 0.00 59.36 57.74 2k0f h GLU 7 Cb 0.07 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2k0f h GLU 7 CO -0.00 1.10 -0.23 0.74 -1.18 0.00 0.00 179.01 179.44 2k0f h PHE 8 N 0.07 0.32 -0.06 0.92 0.04 -1.14 -0.22 116.94 116.86 2k0f h PHE 8 Ca -0.25 -0.06 -0.17 0.00 2.80 0.00 0.00 57.97 60.30 2k0f h PHE 8 Cb 2.01 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 40.07 2k0f h PHE 8 CO 0.06 0.51 -0.68 -0.22 -0.60 0.00 0.00 178.31 177.37 2k0f h LYS 9 N 0.27 0.29 0.11 1.51 1.63 -0.73 0.34 116.57 119.99 2k0f h LYS 9 Ca 0.05 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 2k0f h LYS 9 Cb 0.55 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 2k0f h LYS 9 CO 0.04 0.86 -0.05 1.49 -3.45 0.00 0.00 179.45 178.34 2k0f h GLU 10 N 0.20 -0.14 0.00 1.90 4.57 -1.27 -1.83 114.58 118.01 2k0f h GLU 10 Ca -0.02 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2k0f h GLU 10 Cb 1.23 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 2k0f h GLU 10 CO 0.11 -0.04 -0.05 0.00 -1.18 0.00 0.00 179.01 177.85 2k0f h ALA 11 N 0.68 1.77 -0.37 2.92 0.00 -1.01 -1.49 119.26 121.77 2k0f h ALA 11 Ca -0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2k0f h ALA 11 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k0f h ALA 11 CO 0.02 0.06 -0.24 0.35 0.00 0.00 0.00 179.25 179.44 2k0f h PHE 12 N 0.00 0.85 0.00 0.00 3.04 -0.83 -3.07 116.94 116.93 2k0f h PHE 12 Ca -0.00 -0.20 0.00 0.00 3.98 0.00 0.00 57.97 61.75 2k0f h PHE 12 Cb 0.09 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.40 2k0f h PHE 12 CO 0.00 0.91 0.00 0.77 -2.02 0.00 0.00 178.31 177.97 2k0f h SER 13 N 0.65 0.00 -0.81 0.41 0.02 -0.42 -1.68 113.55 111.72 2k0f h SER 13 Ca 0.09 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 2k0f h SER 13 Cb 0.74 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 2k0f h SER 13 CO 0.06 0.00 0.41 0.25 -1.14 0.00 0.00 176.83 176.41 2k0f h LEU 14 N 0.00 1.05 0.00 5.07 6.46 -1.23 -3.11 115.31 123.54 2k0f h LEU 14 Ca 0.00 -0.11 -0.13 0.00 -0.12 0.00 0.00 57.88 57.51 2k0f h LEU 14 Cb 0.43 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 2k0f h LEU 14 CO 0.00 0.87 -0.84 -0.26 -0.62 0.00 0.00 178.44 177.59 2k0f h PHE 15 N 1.16 0.00 -3.54 1.25 0.04 -1.42 -3.42 116.94 111.00 2k0f h PHE 15 Ca 0.28 0.00 -0.73 0.00 2.80 0.00 0.00 57.97 60.33 2k0f h PHE 15 Cb 0.09 0.00 -0.31 0.00 2.20 0.00 0.00 35.95 37.92 2k0f h PHE 15 CO 0.01 0.57 -0.26 0.34 -0.60 0.00 0.00 178.31 178.37 2k0f s ASP 16 N -6.27 5.74 0.36 2.17 2.15 -1.05 -4.86 116.67 114.91 2k0f s ASP 16 Ca 0.02 -2.53 0.19 0.00 0.43 0.00 0.00 52.55 50.66 2k0f s ASP 16 Cb 0.08 -1.98 0.47 0.00 -0.30 0.00 0.00 42.92 41.19 2k0f s ASP 16 CO 0.77 -0.52 1.63 0.11 -0.17 0.00 0.00 175.17 177.00 2k0f h LYS 17 N 7.64 0.00 0.01 4.34 1.57 -1.82 -3.34 116.57 124.98 2k0f h LYS 17 Ca -0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2k0f h LYS 17 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2k0f h LYS 17 CO 0.76 0.37 -0.00 -0.44 -0.57 0.00 0.00 179.45 179.57 2k0f h ASP 18 N 0.00 -0.01 0.00 0.86 3.32 -1.92 -3.49 116.42 115.18 2k0f h ASP 18 Ca -0.00 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2k0f h ASP 18 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2k0f h ASP 18 CO 0.05 0.59 0.00 0.61 -1.72 0.00 0.00 179.24 178.77 2k0f n GLY 19 N 1.70 1.40 0.13 2.75 0.00 -1.25 -5.07 105.19 104.85 2k0f n GLY 19 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.00 1.87 0.00 1.61 5.68 -1.26 -4.97 116.55 119.47 2k0f n ASP 20 Ca 0.00 0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 2k0f n ASP 20 Cb 0.00 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.30 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 1.92 1.84 3.20 6.12 0.00 -1.26 -5.12 105.19 111.90 2k0f n GLY 21 Ca -0.30 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.01 -0.26 2.61 -4.23 -1.26 -4.46 115.64 106.02 2k0f s THR 22 Ca 0.00 0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 60.46 2k0f s THR 22 Cb 0.00 -0.48 -0.05 0.00 1.34 0.00 0.00 72.50 73.31 2k0f s THR 22 CO 0.00 0.02 0.15 -0.63 -0.54 0.00 0.00 174.62 173.62 2k0f s ILE 23 N 0.62 5.10 0.68 2.99 1.01 -0.99 -4.86 121.20 125.75 2k0f s ILE 23 Ca -0.04 0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.74 2k0f s ILE 23 Cb -0.05 -3.40 0.12 0.00 0.01 0.00 0.00 42.46 39.14 2k0f s ILE 23 CO -0.04 0.29 0.94 0.42 0.00 0.00 0.00 174.94 176.56 2k0f s THR 24 N 1.54 2.05 0.26 2.92 -4.23 -1.26 -2.62 115.64 114.30 2k0f s THR 24 Ca 0.07 -0.76 -0.02 0.00 -1.18 0.00 0.00 61.69 59.80 2k0f s THR 24 Cb -0.15 -2.29 0.23 0.00 1.34 0.00 0.00 72.50 71.63 2k0f s THR 24 CO 0.08 0.00 1.74 0.74 -0.54 0.00 0.00 174.62 176.64 2k0f h THR 25 N -0.32 0.68 0.05 3.99 2.02 -1.96 -2.62 112.91 114.75 2k0f h THR 25 Ca -0.32 -0.18 -0.25 0.00 0.77 0.00 0.00 66.41 66.42 2k0f h THR 25 Cb 1.27 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 2k0f h THR 25 CO 0.39 0.10 -1.26 0.50 0.37 0.00 0.00 175.52 175.62 2k0f h LYS 26 N 0.53 0.10 0.00 6.66 3.64 -1.98 -2.57 116.57 122.95 2k0f h LYS 26 Ca 0.45 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 2k0f h LYS 26 Cb 0.67 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2k0f h LYS 26 CO -0.39 0.99 -0.07 0.93 -2.27 0.00 0.00 179.45 178.64 2k0f h GLU 27 N 0.03 0.00 0.01 1.90 5.08 -1.81 -0.33 114.58 119.45 2k0f h GLU 27 Ca -0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2k0f h GLU 27 Cb 1.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.14 2k0f h GLU 27 CO 0.14 0.07 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.15 2k0f h LEU 28 N 0.00 -0.01 -0.96 1.33 3.38 -1.55 -3.34 115.31 114.16 2k0f h LEU 28 Ca -0.00 -0.82 0.23 0.00 0.09 0.00 0.00 57.88 57.39 2k0f h LEU 28 Cb 0.83 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.46 2k0f h LEU 28 CO 0.01 0.87 0.51 1.23 0.09 0.00 0.00 178.44 181.16 2k0f h GLY 29 N -0.95 1.76 1.00 0.83 0.00 -1.11 -1.48 103.07 103.11 2k0f h GLY 29 Ca -0.00 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.08 2k0f h GLY 29 CO 0.00 -0.25 0.38 -0.84 0.00 0.00 0.00 176.54 175.83 2k0f h THR 30 N 0.51 1.15 0.03 4.70 2.02 -1.19 0.12 112.91 120.26 2k0f h THR 30 Ca 0.61 -0.28 -0.22 0.00 0.77 0.00 0.00 66.41 67.29 2k0f h THR 30 Cb 1.16 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2k0f h THR 30 CO -0.50 0.15 -0.99 0.58 0.37 0.00 0.00 175.52 175.13 2k0f h VAL 31 N 0.79 1.52 -0.07 3.16 2.07 -1.64 -2.27 116.25 119.81 2k0f h VAL 31 Ca 0.21 -2.82 -0.01 0.00 0.82 0.00 0.00 66.70 64.90 2k0f h VAL 31 Cb -0.09 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2k0f h VAL 31 CO -0.05 0.82 0.02 0.24 0.02 0.00 0.00 177.57 178.63 2k0f h MET 32 N 0.10 0.12 -0.61 1.57 2.07 -0.84 0.49 114.93 117.82 2k0f h MET 32 Ca -0.07 -0.03 0.08 0.00 -2.07 0.00 0.00 59.70 57.62 2k0f h MET 32 Cb 1.67 -0.02 -0.07 0.00 -1.87 0.00 0.00 31.60 31.31 2k0f h MET 32 CO 0.15 0.30 0.26 -0.09 1.07 0.00 0.00 176.91 178.60 2k0f h ARG 33 N -0.09 0.46 -0.35 1.72 2.43 -0.86 -1.75 114.38 115.94 2k0f h ARG 33 Ca 0.02 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2k0f h ARG 33 Cb 0.23 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2k0f h ARG 33 CO -0.00 0.30 0.04 0.77 -1.51 0.00 0.00 179.97 179.57 2k0f h SER 34 N 0.47 0.57 0.37 -3.80 0.02 -0.91 -3.35 113.55 106.92 2k0f h SER 34 Ca 0.30 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2k0f h SER 34 Cb 0.32 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2k0f h SER 34 CO -0.27 0.71 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.89 2k0f h LEU 35 N 0.42 -0.42 0.00 5.07 3.38 -0.03 -3.47 115.31 120.26 2k0f h LEU 35 Ca 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k0f h LEU 35 Cb 0.39 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2k0f h LEU 35 CO 0.01 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2k0f n GLY 36 N 0.08 3.74 3.92 0.83 0.00 -0.66 -5.09 105.19 108.01 2k0f n GLY 36 Ca -0.09 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 3.10 3.49 -0.31 1.61 -1.52 -1.24 -4.74 119.66 120.05 2k0f s GLN 37 Ca 0.00 -0.39 -0.11 0.00 -1.95 0.00 0.00 55.36 52.91 2k0f s GLN 37 Cb 0.00 -2.95 -0.03 0.00 -0.22 0.00 0.00 33.01 29.82 2k0f s GLN 37 CO 0.00 0.52 0.19 1.21 -0.25 0.00 0.00 175.29 176.96 2k0f s ASN 38 N -2.80 5.86 1.01 5.90 2.47 -1.26 -4.24 114.94 121.89 2k0f s ASN 38 Ca 0.37 -0.30 -0.13 0.00 0.42 0.00 0.00 52.86 53.22 2k0f s ASN 38 Cb -0.12 -2.09 0.20 0.00 -1.45 0.00 0.00 41.25 37.79 2k0f s ASN 38 CO 0.28 -0.15 1.10 -2.16 -3.72 0.00 0.00 177.10 172.44 2k0f s PRO 39 N 1.70 0.30 0.48 0.43 0.04 -1.26 -5.01 135.00 131.69 2k0f s PRO 39 Ca 0.06 0.43 -0.04 0.00 0.04 0.00 0.00 61.00 61.49 2k0f s PRO 39 Cb -0.17 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2k0f s PRO 39 CO 0.09 -2.80 0.77 0.95 0.04 0.00 0.00 177.00 176.05 2k0f s THR 40 N -3.00 4.67 0.09 1.26 -4.23 -1.26 -4.98 115.64 108.18 2k0f s THR 40 Ca 0.66 0.03 -0.07 0.00 -1.18 0.00 0.00 61.69 61.13 2k0f s THR 40 Cb -0.18 -3.77 -0.26 0.00 1.34 0.00 0.00 72.50 69.63 2k0f s THR 40 CO 0.57 -0.72 1.18 -0.08 -0.54 0.00 0.00 174.62 175.03 2k0f h GLU 41 N 0.24 0.42 -0.22 3.99 4.81 -1.99 -1.23 114.58 120.60 2k0f h GLU 41 Ca -0.47 -0.58 -0.15 0.00 -0.13 0.00 0.00 59.36 58.04 2k0f h GLU 41 Cb 1.22 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 2k0f h GLU 41 CO 0.61 1.23 -0.47 0.00 -0.73 0.00 0.00 179.01 179.66 2k0f h ALA 42 N 0.54 0.77 -0.77 2.92 0.00 -1.99 -1.65 119.26 119.08 2k0f h ALA 42 Ca -0.14 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.31 2k0f h ALA 42 Cb 1.84 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 2k0f h ALA 42 CO 0.20 0.67 0.50 1.49 0.00 0.00 0.00 179.25 182.11 2k0f h GLU 43 N 0.45 1.02 0.00 0.00 4.81 -1.97 -2.87 114.58 116.03 2k0f h GLU 43 Ca 0.03 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 2k0f h GLU 43 Cb 0.99 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2k0f h GLU 43 CO 0.09 0.69 -0.50 1.25 -0.73 0.00 0.00 179.01 179.81 2k0f h LEU 44 N 1.05 0.00 -1.46 1.64 5.85 -0.69 -2.89 115.31 118.81 2k0f h LEU 44 Ca 0.28 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 2k0f h LEU 44 Cb -0.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2k0f h LEU 44 CO -0.06 0.50 -0.06 1.56 -0.34 0.00 0.00 178.44 180.04 2k0f h GLN 45 N 0.00 0.28 0.00 1.25 4.20 -1.19 -1.57 115.11 118.08 2k0f h GLN 45 Ca -0.00 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 2k0f h GLN 45 Cb 1.19 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 2k0f h GLN 45 CO 0.06 0.36 -0.21 0.22 -0.67 0.00 0.00 178.83 178.60 2k0f h ASP 46 N 0.27 0.00 -0.15 1.46 3.58 -1.31 -0.95 116.42 119.32 2k0f h ASP 46 Ca 0.06 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 2k0f h ASP 46 Cb 0.29 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 2k0f h ASP 46 CO 0.01 0.21 -0.24 0.24 -2.88 0.00 0.00 179.24 176.58 2k0f h MET 47 N 0.00 0.43 -0.17 0.28 2.86 -1.15 -2.92 114.93 114.25 2k0f h MET 47 Ca -0.00 -0.26 -0.06 0.00 -2.06 0.00 0.00 59.70 57.32 2k0f h MET 47 Cb 0.85 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 2k0f h MET 47 CO 0.03 0.85 -0.12 0.82 1.06 0.00 0.00 176.91 179.55 2k0f h ILE 48 N 0.04 1.32 -0.95 -1.22 2.04 -1.20 -3.22 117.51 114.33 2k0f h ILE 48 Ca 0.01 -1.22 0.23 0.00 1.00 0.00 0.00 64.86 64.89 2k0f h ILE 48 Cb 0.81 1.75 -0.07 0.00 -0.74 0.00 0.00 36.82 38.58 2k0f h ILE 48 CO 0.05 0.36 0.63 0.78 0.00 0.00 0.00 178.15 179.98 2k0f h ASN 49 N 0.05 0.35 -0.42 1.72 2.35 -1.26 0.39 115.58 118.76 2k0f h ASN 49 Ca 0.03 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2k0f h ASN 49 Cb 0.62 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 2k0f h ASN 49 CO 0.03 0.12 0.18 -0.08 -1.65 0.00 0.00 177.43 176.03 2k0f h GLU 50 N 0.34 0.62 0.00 0.81 4.81 -1.52 -3.14 114.58 116.51 2k0f h GLU 50 Ca 0.50 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 2k0f h GLU 50 Cb 1.36 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2k0f h GLU 50 CO -0.18 0.57 -0.41 -0.39 -0.73 0.00 0.00 179.01 177.88 2k0f h VAL 51 N 0.54 0.00 -2.93 0.32 -1.51 -1.37 -3.44 116.25 107.85 2k0f h VAL 51 Ca 0.14 -0.59 -0.57 0.00 -1.23 0.00 0.00 66.70 64.45 2k0f h VAL 51 Cb 0.17 1.33 -0.04 0.00 -2.13 0.00 0.00 31.29 30.63 2k0f h VAL 51 CO -0.01 0.00 0.92 -0.62 -1.23 0.00 0.00 177.57 176.62 2k0f s ASP 52 N -4.64 6.91 -0.11 4.19 2.15 0.13 -4.91 116.67 120.38 2k0f s ASP 52 Ca 0.07 1.64 -0.08 0.00 0.43 0.00 0.00 52.55 54.61 2k0f s ASP 52 Cb 0.12 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.17 2k0f s ASP 52 CO 0.68 -0.80 -0.16 0.00 -0.17 0.00 0.00 175.17 174.72 2k0f n ALA 53 N 6.75 0.40 0.38 3.66 0.00 -1.26 -4.59 120.51 125.85 2k0f n ALA 53 Ca 0.14 -0.41 -0.19 0.00 0.00 0.00 0.00 53.44 52.98 2k0f n ALA 53 Cb 0.45 0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.75 -1.31 0.00 0.00 3.04 -1.95 -3.48 116.42 111.97 2k0f h ASP 54 Ca 0.00 0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.88 2k0f h ASP 54 Cb 0.46 0.40 0.00 0.00 -1.04 0.00 0.00 39.33 39.15 2k0f h ASP 54 CO 0.00 -0.73 0.00 0.61 -2.04 0.00 0.00 179.24 177.08 2k0f n GLY 55 N -1.61 0.98 0.03 7.15 0.00 -1.26 -5.00 105.19 105.47 2k0f n GLY 55 Ca -0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.02 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.23 -0.41 1.61 0.23 -1.26 -4.94 115.26 110.72 2k0f n ASN 56 Ca 0.00 0.48 -0.05 0.00 -0.53 0.00 0.00 54.58 54.48 2k0f n ASN 56 Cb 0.00 -0.53 -0.02 0.00 -2.08 0.00 0.00 39.78 37.15 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.45 0.76 3.73 4.83 0.00 -1.26 -5.03 105.19 109.67 2k0f n GLY 57 Ca 0.07 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.05 1.94 -0.25 2.61 -4.23 -1.26 -4.83 115.64 107.57 2k0f s THR 58 Ca 0.00 -1.81 -0.07 0.00 -1.18 0.00 0.00 61.69 58.63 2k0f s THR 58 Cb 0.00 -2.76 -0.02 0.00 1.34 0.00 0.00 72.50 71.06 2k0f s THR 58 CO 0.00 0.00 0.05 -0.51 -0.54 0.00 0.00 174.62 173.62 2k0f s ILE 59 N -2.70 4.16 0.51 2.99 2.07 -1.08 -4.78 121.20 122.37 2k0f s ILE 59 Ca 0.32 -0.24 0.09 0.00 -1.41 0.00 0.00 60.65 59.41 2k0f s ILE 59 Cb 0.05 -2.94 0.05 0.00 0.13 0.00 0.00 42.46 39.75 2k0f s ILE 59 CO 0.18 0.34 0.70 -1.81 -1.91 0.00 0.00 174.94 172.44 2k0f s ASP 60 N 1.59 5.34 0.11 4.50 1.11 -1.26 -2.35 116.67 125.71 2k0f s ASP 60 Ca 0.06 -0.64 -0.26 0.00 0.18 0.00 0.00 52.55 51.89 2k0f s ASP 60 Cb -0.15 -0.15 -0.08 0.00 1.07 0.00 0.00 42.92 43.61 2k0f s ASP 60 CO 0.03 -1.09 1.44 0.15 1.18 0.00 0.00 175.17 176.87 2k0f h PHE 61 N 0.37 -1.39 0.00 4.23 3.57 -1.99 -1.91 116.94 119.81 2k0f h PHE 61 Ca -0.35 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.23 2k0f h PHE 61 Cb 1.28 0.66 0.00 0.00 2.79 0.00 0.00 35.95 40.69 2k0f h PHE 61 CO 0.41 -0.37 0.00 -0.35 -2.23 0.00 0.00 178.31 175.76 2k0f n PRO 62 N -4.82 0.15 -0.12 6.41 -0.04 -1.26 -1.82 135.00 133.50 2k0f n PRO 62 Ca -0.02 0.18 -0.25 0.00 -0.04 0.00 0.00 63.50 63.37 2k0f n PRO 62 Cb 0.26 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.14 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k0f n GLU 63 N -1.26 0.54 -0.17 0.54 1.02 -0.91 -3.57 120.64 116.82 2k0f n GLU 63 Ca 0.05 0.23 0.04 0.00 -0.02 0.00 0.00 57.16 57.47 2k0f n GLU 63 Cb 0.07 -1.41 0.09 0.00 -0.02 0.00 0.00 31.44 30.17 2k0f n GLU 63 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k0f n PHE 64 N -4.19 0.21 -0.03 -0.32 7.35 -0.77 -1.69 117.46 118.03 2k0f n PHE 64 Ca -0.46 0.58 -0.15 0.00 -0.76 0.00 0.00 57.45 56.66 2k0f n PHE 64 Cb 0.81 -0.80 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 2k0f n PHE 64 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2k0f h LEU 65 N 0.00 0.89 -0.34 -2.13 5.85 -1.52 -3.21 115.31 114.84 2k0f h LEU 65 Ca 0.25 -0.55 -0.18 0.00 0.84 0.00 0.00 57.88 58.24 2k0f h LEU 65 Cb 0.43 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 2k0f h LEU 65 CO -0.48 1.34 -0.50 0.74 -0.34 0.00 0.00 178.44 179.21 2k0f h THR 66 N 0.54 1.27 0.00 1.05 2.02 -1.42 0.88 112.91 117.26 2k0f h THR 66 Ca -0.03 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.47 2k0f h THR 66 Cb 1.32 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 2k0f h THR 66 CO 0.14 0.55 0.00 1.15 0.37 0.00 0.00 175.52 177.74 2k0f n MET 67 N -4.02 0.05 -0.09 6.66 0.00 -0.68 -2.72 117.12 116.32 2k0f n MET 67 Ca -0.04 0.26 -0.19 0.00 0.00 0.00 0.00 57.70 57.73 2k0f n MET 67 Cb 0.60 -1.59 -0.07 0.00 0.00 0.00 0.00 33.22 32.16 2k0f n MET 67 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2k0f n MET 68 N -1.69 0.41 0.07 3.17 2.00 -1.06 -4.80 117.12 115.22 2k0f n MET 68 Ca 0.04 0.17 0.03 0.00 0.00 0.00 0.00 57.70 57.93 2k0f n MET 68 Cb 0.21 -1.21 -0.04 0.00 0.00 0.00 0.00 33.22 32.18 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0f h ALA 69 N -0.58 0.64 -2.89 3.04 0.00 -0.94 -3.43 119.26 115.10 2k0f h ALA 69 Ca -0.47 -0.60 -0.53 0.00 0.00 0.00 0.00 54.91 53.30 2k0f h ALA 69 Cb 1.46 0.16 0.09 0.00 0.00 0.00 0.00 17.79 19.50 2k0f h ALA 69 CO -0.26 0.68 0.81 0.50 0.00 0.00 0.00 179.25 180.98 2k0f s ARG 70 N -3.01 4.13 0.36 0.00 3.52 -1.10 -4.98 118.95 117.86 2k0f s ARG 70 Ca -0.01 2.55 -0.25 0.00 -0.13 0.00 0.00 55.73 57.88 2k0f s ARG 70 Cb 0.09 -3.00 -0.09 0.00 -1.56 0.00 0.00 34.95 30.39 2k0f s ARG 70 CO 0.79 -0.54 1.03 0.21 -0.81 0.00 0.00 175.30 175.98 2k0f s LYS 71 N -1.49 4.35 0.34 5.12 2.20 -1.26 -4.95 119.74 124.05 2k0f s LYS 71 Ca 0.56 1.51 0.09 0.00 -0.36 0.00 0.00 55.97 57.76 2k0f s LYS 71 Cb -0.46 -2.71 -0.05 0.00 -1.51 0.00 0.00 37.83 33.10 2k0f s LYS 71 CO 0.57 0.03 0.09 -1.64 -0.36 0.00 0.00 175.35 174.03 2k0f s MET 72 N -2.22 2.25 0.52 4.03 -1.94 -1.26 -5.15 119.30 115.54 2k0f s MET 72 Ca 0.54 -1.63 -0.02 0.00 -1.71 0.00 0.00 55.69 52.87 2k0f s MET 72 Cb -0.23 -2.08 0.11 0.00 2.01 0.00 0.00 34.83 34.64 2k0f s MET 72 CO 0.29 0.13 0.71 0.36 -0.01 0.00 0.00 175.02 176.49 2k0f n LYS 73 N -1.07 -0.07 -0.04 2.03 2.85 -1.26 -4.78 118.16 115.82 2k0f n LYS 73 Ca -0.04 -1.72 -0.13 0.00 -1.05 0.00 0.00 58.31 55.38 2k0f n LYS 73 Cb 0.62 -0.54 -0.07 0.00 -0.65 0.00 0.00 35.03 34.38 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2k0f h ASP 74 N -0.55 0.24 -0.41 -5.58 3.32 -2.01 -1.91 116.42 109.52 2k0f h ASP 74 Ca -0.23 -0.42 -0.03 0.00 0.02 0.00 0.00 57.03 56.36 2k0f h ASP 74 Cb 0.81 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 2k0f h ASP 74 CO 0.23 0.61 0.15 0.00 -1.72 0.00 0.00 179.24 178.51 2k0f h THR 75 N -0.12 1.19 -0.23 0.35 1.03 -2.00 -2.39 112.91 110.73 2k0f h THR 75 Ca 0.02 -0.64 -0.14 0.00 -0.01 0.00 0.00 66.41 65.65 2k0f h THR 75 Cb 0.52 0.67 -0.01 0.00 -1.07 0.00 0.00 68.15 68.26 2k0f h THR 75 CO 0.02 0.24 -0.44 0.44 -0.01 0.00 0.00 175.52 175.77 2k0f h ASP 76 N 0.67 0.62 0.25 0.00 3.32 -1.88 -2.47 116.42 116.94 2k0f h ASP 76 Ca 0.16 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2k0f h ASP 76 Cb 0.19 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2k0f h ASP 76 CO -0.01 0.97 -0.12 0.28 -1.72 0.00 0.00 179.24 178.64 2k0f h SER 77 N 0.47 -0.29 -0.73 6.45 0.02 -0.85 -1.44 113.55 117.18 2k0f h SER 77 Ca 0.03 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2k0f h SER 77 Cb 0.95 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 2k0f h SER 77 CO 0.08 -0.06 0.30 -0.33 -1.14 0.00 0.00 176.83 175.68 2k0f h GLU 78 N -0.51 1.10 -0.42 3.45 5.08 -1.52 -0.98 114.58 120.79 2k0f h GLU 78 Ca -0.03 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2k0f h GLU 78 Cb 0.38 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2k0f h GLU 78 CO 0.06 0.89 0.25 1.49 -1.00 0.00 0.00 179.01 180.70 2k0f h GLU 79 N 1.08 0.57 -0.27 2.33 4.81 -0.92 0.36 114.58 122.54 2k0f h GLU 79 Ca 0.25 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2k0f h GLU 79 Cb 0.20 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2k0f h GLU 79 CO -0.02 0.42 0.16 1.49 -0.73 0.00 0.00 179.01 180.33 2k0f h GLU 80 N 0.55 0.37 0.12 1.92 4.81 -1.08 -0.28 114.58 120.99 2k0f h GLU 80 Ca 0.15 -0.04 -0.28 0.00 -0.13 0.00 0.00 59.36 59.07 2k0f h GLU 80 Cb -0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2k0f h GLU 80 CO -0.03 0.31 -1.27 0.82 -0.73 0.00 0.00 179.01 178.11 2k0f h ILE 81 N 0.34 1.47 -0.04 2.32 2.04 -0.88 -2.53 117.51 120.23 2k0f h ILE 81 Ca 0.10 -3.05 0.03 0.00 1.00 0.00 0.00 64.86 62.94 2k0f h ILE 81 Cb 0.03 2.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.99 2k0f h ILE 81 CO -0.02 0.89 -0.20 -0.09 0.00 0.00 0.00 178.15 178.73 2k0f h ARG 82 N 0.07 -0.29 -0.51 2.37 2.43 -0.25 -2.59 114.38 115.62 2k0f h ARG 82 Ca -0.14 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.10 2k0f h ARG 82 Cb 1.97 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 31.53 2k0f h ARG 82 CO 0.20 -0.19 0.22 0.93 -1.51 0.00 0.00 179.97 179.62 2k0f h GLU 83 N -0.30 0.42 -0.03 0.20 4.39 -1.14 -2.48 114.58 115.64 2k0f h GLU 83 Ca 0.07 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.75 2k0f h GLU 83 Cb 0.39 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2k0f h GLU 83 CO -0.21 0.28 0.02 0.00 -1.16 0.00 0.00 179.01 177.94 2k0f h ALA 84 N 1.30 2.02 -0.04 3.43 0.00 -1.30 -1.17 119.26 123.51 2k0f h ALA 84 Ca 0.23 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 2k0f h ALA 84 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2k0f h ALA 84 CO -0.20 -0.04 -0.75 0.35 0.00 0.00 0.00 179.25 178.61 2k0f h PHE 85 N 0.00 0.36 0.00 0.00 3.57 -1.05 -3.05 116.94 116.76 2k0f h PHE 85 Ca 0.02 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.29 2k0f h PHE 85 Cb 0.06 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2k0f h PHE 85 CO 0.00 0.91 -0.26 0.00 -2.23 0.00 0.00 178.31 176.73 2k0f h ARG 86 N 0.17 0.00 0.08 1.11 3.08 -0.95 -2.53 114.38 115.34 2k0f h ARG 86 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2k0f h ARG 86 Cb 1.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 2k0f h ARG 86 CO 0.12 0.26 -0.08 0.28 -1.07 0.00 0.00 179.97 179.49 2k0f h VAL 87 N 0.00 0.83 -0.21 2.04 2.07 -1.34 -3.25 116.25 116.38 2k0f h VAL 87 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2k0f h VAL 87 Cb 0.61 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2k0f h VAL 87 CO 0.03 0.00 0.06 -0.26 0.02 0.00 0.00 177.57 177.43 2k0f h PHE 88 N -0.18 0.11 -2.71 1.57 0.04 -1.43 -3.43 116.94 110.92 2k0f h PHE 88 Ca 0.00 0.01 -0.57 0.00 2.80 0.00 0.00 57.97 60.21 2k0f h PHE 88 Cb 0.17 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 2k0f h PHE 88 CO -0.10 0.05 1.19 0.34 -0.60 0.00 0.00 178.31 179.19 2k0f s ASP 89 N -5.29 6.19 -0.19 2.17 2.15 -0.98 -4.55 116.67 116.16 2k0f s ASP 89 Ca -0.13 1.54 -0.09 0.00 0.43 0.00 0.00 52.55 54.30 2k0f s ASP 89 Cb 0.09 -2.53 -0.21 0.00 -0.30 0.00 0.00 42.92 39.98 2k0f s ASP 89 CO 0.69 -1.43 0.10 1.17 -0.17 0.00 0.00 175.17 175.53 2k0f n LYS 90 N 7.96 0.67 0.01 4.34 4.81 -1.26 -4.53 118.16 130.16 2k0f n LYS 90 Ca 0.20 0.30 -0.00 0.00 -0.87 0.00 0.00 58.31 57.94 2k0f n LYS 90 Cb 0.46 -1.64 -0.00 0.00 0.02 0.00 0.00 35.03 33.86 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 -0.31 -0.02 0.00 3.14 3.04 -1.95 -3.50 116.42 116.82 2k0f h ASP 91 Ca -0.48 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 2k0f h ASP 91 Cb 1.80 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.09 2k0f h ASP 91 CO -0.08 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.73 2k0f n GLY 92 N 1.04 0.68 0.09 7.15 0.00 -1.26 -5.08 105.19 107.81 2k0f n GLY 92 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.63 0.00 1.61 6.94 -1.26 -4.99 115.26 118.19 2k0f n ASN 93 Ca 0.00 0.26 0.00 0.00 -0.02 0.00 0.00 54.58 54.82 2k0f n ASN 93 Cb 0.00 0.66 0.00 0.00 -2.36 0.00 0.00 39.78 38.08 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.33 1.09 3.17 4.83 0.00 -1.26 -5.10 105.19 109.25 2k0f n GLY 94 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 2.48 -0.33 1.61 2.02 -1.26 -4.26 117.35 115.61 2k0f s TYR 95 Ca 0.00 -1.13 -0.18 0.00 -0.37 0.00 0.00 57.07 55.39 2k0f s TYR 95 Cb 0.00 -1.69 -0.01 0.00 -0.40 0.00 0.00 41.96 39.87 2k0f s TYR 95 CO 0.00 -0.49 0.52 0.42 -1.57 0.00 0.00 175.55 174.43 2k0f s ILE 96 N 0.61 5.02 0.41 2.71 -1.09 -0.68 -4.91 121.20 123.26 2k0f s ILE 96 Ca -0.13 0.46 0.03 0.00 -2.23 0.00 0.00 60.65 58.78 2k0f s ILE 96 Cb -0.17 -3.94 -0.00 0.00 -1.58 0.00 0.00 42.46 36.77 2k0f s ILE 96 CO 0.03 -0.16 0.59 -0.55 -1.23 0.00 0.00 174.94 173.62 2k0f s SER 97 N 1.73 5.84 0.33 3.58 0.15 -1.26 -3.70 113.70 120.36 2k0f s SER 97 Ca 0.19 0.04 0.06 0.00 0.70 0.00 0.00 55.95 56.95 2k0f s SER 97 Cb -0.15 -1.33 0.57 0.00 -1.71 0.00 0.00 66.02 63.41 2k0f s SER 97 CO 0.13 -0.63 1.80 0.00 1.20 0.00 0.00 173.24 175.74 2k0f h ALA 98 N 0.59 1.28 0.00 5.45 0.00 -1.96 -1.49 119.26 123.12 2k0f h ALA 98 Ca -0.45 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 2k0f h ALA 98 Cb 1.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2k0f h ALA 98 CO 0.55 0.48 -0.10 0.00 0.00 0.00 0.00 179.25 180.18 2k0f h ALA 99 N 1.47 1.73 0.09 0.00 0.00 -1.98 -2.17 119.26 118.39 2k0f h ALA 99 Ca 0.05 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.54 2k0f h ALA 99 Cb 0.57 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2k0f h ALA 99 CO 0.04 0.13 -1.80 0.93 0.00 0.00 0.00 179.25 178.54 2k0f h GLU 100 N 0.00 0.18 -0.34 0.00 5.08 -1.64 -3.21 114.58 114.66 2k0f h GLU 100 Ca -0.00 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 2k0f h GLU 100 Cb 0.19 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2k0f h GLU 100 CO 0.01 0.97 0.01 1.25 -1.00 0.00 0.00 179.01 180.25 2k0f h LEU 101 N 0.05 0.58 -0.65 1.33 5.85 -1.22 -2.89 115.31 118.35 2k0f h LEU 101 Ca -0.34 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.03 2k0f h LEU 101 Cb 2.03 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.90 2k0f h LEU 101 CO 0.10 0.74 -0.22 0.08 -0.34 0.00 0.00 178.44 178.80 2k0f h ARG 102 N 0.40 0.00 0.13 1.25 0.11 -1.52 -2.27 114.38 112.47 2k0f h ARG 102 Ca 0.10 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.17 2k0f h ARG 102 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 2k0f h ARG 102 CO 0.02 0.22 -0.06 1.25 0.10 0.00 0.00 179.97 181.49 2k0f h HIS 103 N 0.00 -0.16 -0.94 4.08 2.76 -1.55 -2.27 115.15 117.08 2k0f h HIS 103 Ca -0.00 -0.00 0.22 0.00 -2.20 0.00 0.00 60.37 58.38 2k0f h HIS 103 Cb 0.93 0.05 -0.07 0.00 1.55 0.00 0.00 27.41 29.87 2k0f h HIS 103 CO 0.00 -0.05 0.62 0.28 -1.30 0.00 0.00 177.93 177.48 2k0f h VAL 104 N -0.23 0.64 0.09 5.26 2.07 -1.32 -1.28 116.25 121.48 2k0f h VAL 104 Ca -0.02 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.37 2k0f h VAL 104 Cb 0.18 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2k0f h VAL 104 CO 0.03 0.07 -0.12 0.24 0.02 0.00 0.00 177.57 177.81 2k0f h MET 105 N 0.39 -0.24 0.00 1.57 2.86 -1.13 0.03 114.93 118.41 2k0f h MET 105 Ca 0.49 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 58.13 2k0f h MET 105 Cb 1.26 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.97 2k0f h MET 105 CO -0.19 -0.16 -0.09 1.79 1.06 0.00 0.00 176.91 179.32 2k0f h THR 106 N -0.25 0.89 -0.01 2.22 1.35 -0.84 0.45 112.91 116.71 2k0f h THR 106 Ca 0.01 -0.33 -0.14 0.00 -0.55 0.00 0.00 66.41 65.40 2k0f h THR 106 Cb 0.25 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 2k0f h THR 106 CO -0.05 0.09 -0.67 0.78 -0.25 0.00 0.00 175.52 175.42 2k0f h ASN 107 N 0.00 0.06 0.64 5.36 2.35 -1.15 -3.32 115.58 119.52 2k0f h ASN 107 Ca -0.00 -0.04 -0.27 0.00 -0.55 0.00 0.00 56.30 55.44 2k0f h ASN 107 Cb 0.18 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 2k0f h ASN 107 CO 0.01 0.71 -1.40 -0.07 -1.65 0.00 0.00 177.43 175.03 2k0f h LEU 108 N 0.04 0.16 0.00 1.61 3.38 0.55 -3.43 115.31 117.63 2k0f h LEU 108 Ca -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2k0f h LEU 108 Cb 1.18 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2k0f h LEU 108 CO 0.09 1.19 0.00 0.61 0.09 0.00 0.00 178.44 180.42 2k0f n GLY 109 N 1.53 1.64 3.76 0.83 0.00 0.13 -4.91 105.19 108.18 2k0f n GLY 109 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N -0.27 3.07 -0.29 1.61 0.41 0.35 -4.99 118.70 118.59 2k0f s GLU 110 Ca 0.00 -0.44 0.01 0.00 -0.41 0.00 0.00 54.97 54.13 2k0f s GLU 110 Cb 0.00 -2.87 0.06 0.00 -1.78 0.00 0.00 34.13 29.55 2k0f s GLU 110 CO 0.00 0.67 -0.03 0.21 -0.49 0.00 0.00 175.26 175.62 2k0f s LYS 111 N -1.46 2.20 0.47 1.61 2.20 -1.26 -3.54 119.74 119.96 2k0f s LYS 111 Ca 0.20 -1.41 0.01 0.00 -0.36 0.00 0.00 55.97 54.40 2k0f s LYS 111 Cb -0.12 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 2k0f s LYS 111 CO 0.10 -0.67 0.68 -0.51 -0.36 0.00 0.00 175.35 174.60 2k0f s LEU 112 N 1.13 3.58 0.49 5.43 1.02 -1.26 -5.11 118.68 123.97 2k0f s LEU 112 Ca -0.04 0.18 0.08 0.00 0.02 0.00 0.00 54.13 54.38 2k0f s LEU 112 Cb -0.20 -3.07 0.04 0.00 0.02 0.00 0.00 46.19 42.99 2k0f s LEU 112 CO -0.04 -0.79 0.67 0.42 0.02 0.00 0.00 176.35 176.64 2k0f s THR 113 N -2.58 2.62 0.31 5.49 -4.23 -1.26 -4.95 115.64 111.05 2k0f s THR 113 Ca 0.50 -0.99 0.08 0.00 -1.18 0.00 0.00 61.69 60.11 2k0f s THR 113 Cb -0.10 -2.63 0.05 0.00 1.34 0.00 0.00 72.50 71.16 2k0f s THR 113 CO 0.38 0.00 1.73 0.44 -0.54 0.00 0.00 174.62 176.62 2k0f h ASP 114 N 0.42 0.17 -0.39 3.99 5.19 -1.99 -1.35 116.42 122.46 2k0f h ASP 114 Ca -0.36 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 55.96 2k0f h ASP 114 Cb 1.28 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.73 2k0f h ASP 114 CO 0.43 0.56 0.17 -0.33 -3.12 0.00 0.00 179.24 176.96 2k0f h GLU 115 N 0.13 0.62 0.23 3.56 3.07 -2.00 -2.46 114.58 117.73 2k0f h GLU 115 Ca 0.01 -0.08 -0.33 0.00 -0.50 0.00 0.00 59.36 58.46 2k0f h GLU 115 Cb 0.79 -0.12 0.04 0.00 -0.84 0.00 0.00 28.75 28.62 2k0f h GLU 115 CO 0.06 0.52 -1.43 0.93 -1.40 0.00 0.00 179.01 177.68 2k0f h GLU 116 N 0.62 0.54 -0.21 2.33 5.08 -1.78 -2.73 114.58 118.43 2k0f h GLU 116 Ca 0.15 -0.89 0.01 0.00 -1.00 0.00 0.00 59.36 57.64 2k0f h GLU 116 Cb 0.13 0.33 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2k0f h GLU 116 CO -0.02 1.42 0.10 0.28 -1.00 0.00 0.00 179.01 179.80 2k0f h VAL 117 N 0.16 0.99 0.65 3.13 2.07 -1.27 -2.82 116.25 119.16 2k0f h VAL 117 Ca -0.24 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 2k0f h VAL 117 Cb 2.12 0.76 0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2k0f h VAL 117 CO 0.27 0.04 -0.32 -0.78 0.02 0.00 0.00 177.57 176.80 2k0f h ASP 118 N 0.22 -0.75 -0.97 0.57 3.58 -1.53 -3.24 116.42 114.30 2k0f h ASP 118 Ca 0.08 0.03 0.24 0.00 0.42 0.00 0.00 57.03 57.80 2k0f h ASP 118 Cb 0.02 0.20 -0.12 0.00 1.72 0.00 0.00 39.33 41.15 2k0f h ASP 118 CO -0.06 -0.53 0.53 -0.08 -2.88 0.00 0.00 179.24 176.22 2k0f h GLU 119 N -0.88 0.51 -0.41 0.28 4.81 -1.44 -1.57 114.58 115.88 2k0f h GLU 119 Ca -0.09 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.19 2k0f h GLU 119 Cb 0.68 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.87 2k0f h GLU 119 CO 0.14 0.34 -0.04 1.98 -0.73 0.00 0.00 179.01 180.70 2k0f h MET 120 N 0.52 0.06 0.22 1.92 4.05 -1.52 -1.64 114.93 118.55 2k0f h MET 120 Ca 0.62 -0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.71 2k0f h MET 120 Cb 1.17 -0.01 0.03 0.00 -0.80 0.00 0.00 31.60 31.99 2k0f h MET 120 CO -0.49 0.04 -1.49 0.82 0.23 0.00 0.00 176.91 176.02 2k0f h ILE 121 N 0.06 1.20 -0.60 1.77 2.04 -1.37 -2.99 117.51 117.62 2k0f h ILE 121 Ca 0.20 -2.62 0.10 0.00 1.00 0.00 0.00 64.86 63.55 2k0f h ILE 121 Cb 0.30 2.97 -0.11 0.00 -0.74 0.00 0.00 36.82 39.24 2k0f h ILE 121 CO -0.37 0.81 -0.36 -0.09 0.00 0.00 0.00 178.15 178.13 2k0f h ARG 122 N 0.06 -0.17 -0.16 2.37 2.43 -1.41 -1.56 114.38 115.95 2k0f h ARG 122 Ca -0.27 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.80 2k0f h ARG 122 Cb 2.08 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.66 2k0f h ARG 122 CO 0.23 -0.11 -0.39 1.49 -1.51 0.00 0.00 179.97 179.67 2k0f h GLU 123 N -0.18 0.35 -0.22 0.20 4.81 -1.35 -3.27 114.58 114.91 2k0f h GLU 123 Ca 0.22 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2k0f h GLU 123 Cb 0.56 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2k0f h GLU 123 CO -0.69 0.69 0.11 0.00 -0.73 0.00 0.00 179.01 178.40 2k0f h ALA 124 N 1.29 0.29 -2.58 2.92 0.00 -1.15 -3.44 119.26 116.58 2k0f h ALA 124 Ca 0.03 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 54.33 2k0f h ALA 124 Cb 0.83 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.56 2k0f h ALA 124 CO 0.07 -0.16 0.80 0.34 0.00 0.00 0.00 179.25 180.29 2k0f s ASP 125 N -5.55 6.71 -0.14 0.00 2.15 -0.80 -4.94 116.67 114.10 2k0f s ASP 125 Ca -0.13 2.47 -0.03 0.00 0.43 0.00 0.00 52.55 55.29 2k0f s ASP 125 Cb 0.08 -2.59 -0.08 0.00 -0.30 0.00 0.00 42.92 40.03 2k0f s ASP 125 CO 0.71 -0.73 -0.16 -0.38 -0.17 0.00 0.00 175.17 174.44 2k0f n ILE 126 N 3.88 0.81 0.13 4.11 5.41 -1.26 -4.82 119.36 127.61 2k0f n ILE 126 Ca 0.12 -0.26 -0.12 0.00 1.00 0.00 0.00 62.75 63.50 2k0f n ILE 126 Cb 0.40 -1.34 -0.07 0.00 -0.71 0.00 0.00 39.64 37.92 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -0.26 -0.31 0.00 4.38 3.04 -1.94 -3.48 116.42 117.84 2k0f h ASP 127 Ca -0.34 -0.22 0.00 0.00 -3.24 0.00 0.00 57.03 53.23 2k0f h ASP 127 Cb 1.41 0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.78 2k0f h ASP 127 CO -0.14 0.14 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 2k0f n GLY 128 N 0.14 0.14 0.09 7.15 0.00 -1.26 -5.05 105.19 106.40 2k0f n GLY 128 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 0.83 0.00 1.61 5.68 -1.26 -5.00 116.55 118.42 2k0f n ASP 129 Ca 0.00 0.37 0.00 0.00 -0.50 0.00 0.00 54.79 54.66 2k0f n ASP 129 Cb 0.00 0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 130 N 1.39 0.66 3.13 6.12 0.00 -1.26 -5.07 105.19 110.16 2k0f n GLY 130 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.57 0.72 -0.30 1.61 -0.21 -1.26 -4.56 119.66 115.09 2k0f s GLN 131 Ca 0.00 -1.09 -0.19 0.00 0.02 0.00 0.00 55.36 54.10 2k0f s GLN 131 Cb 0.00 -0.29 -0.01 0.00 1.00 0.00 0.00 33.01 33.70 2k0f s GLN 131 CO 0.00 0.02 0.57 0.08 -2.12 0.00 0.00 175.29 173.84 2k0f s VAL 132 N -2.59 5.00 0.54 1.09 1.01 -1.24 -4.81 120.40 119.39 2k0f s VAL 132 Ca 0.03 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 2k0f s VAL 132 Cb -0.02 -3.93 0.11 0.00 0.00 0.00 0.00 36.38 32.54 2k0f s VAL 132 CO -0.02 -0.07 0.73 0.59 0.00 0.00 0.00 175.10 176.33 2k0f n ASN 133 N 5.73 0.81 0.06 3.32 4.13 -1.26 -1.69 115.26 126.36 2k0f n ASN 133 Ca -0.03 -1.73 -0.02 0.00 1.68 0.00 0.00 54.58 54.48 2k0f n ASN 133 Cb 0.49 -0.49 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2k0f h TYR 134 N -0.69 -0.15 -0.91 3.10 3.20 -1.97 -2.57 116.97 116.98 2k0f h TYR 134 Ca -0.24 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 61.85 2k0f h TYR 134 Cb 0.85 0.05 -0.16 0.00 1.54 0.00 0.00 36.73 39.00 2k0f h TYR 134 CO 0.00 -0.09 -0.01 1.49 -1.64 0.00 0.00 178.16 177.91 2k0f h GLU 135 N -0.23 0.05 -0.80 1.82 4.81 -1.98 -0.84 114.58 117.40 2k0f h GLU 135 Ca -0.02 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 2k0f h GLU 135 Cb 0.12 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 2k0f h GLU 135 CO 0.03 0.03 0.49 0.93 -0.73 0.00 0.00 179.01 179.76 2k0f h GLU 136 N 0.05 0.87 -0.02 1.92 5.08 -1.95 -0.14 114.58 120.40 2k0f h GLU 136 Ca 0.52 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.82 2k0f h GLU 136 Cb 0.99 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2k0f h GLU 136 CO -0.84 0.58 -0.01 0.35 -1.00 0.00 0.00 179.01 178.09 2k0f h PHE 137 N 0.90 0.05 -0.73 4.33 3.57 -0.81 -1.66 116.94 122.60 2k0f h PHE 137 Ca 0.35 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.98 2k0f h PHE 137 Cb 0.16 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 38.79 2k0f h PHE 137 CO -0.04 0.42 0.27 0.28 -2.23 0.00 0.00 178.31 177.01 2k0f h VAL 138 N -0.33 0.66 0.00 1.41 2.07 -0.91 -0.13 116.25 119.02 2k0f h VAL 138 Ca 0.01 -0.14 -0.14 0.00 0.82 0.00 0.00 66.70 67.24 2k0f h VAL 138 Cb 0.40 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2k0f h VAL 138 CO 0.00 0.08 -0.78 1.56 0.02 0.00 0.00 177.57 178.45 2k0f h GLN 139 N 0.42 0.00 -0.30 1.57 4.20 -1.02 -0.47 115.11 119.51 2k0f h GLN 139 Ca 0.40 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.08 2k0f h GLN 139 Cb 0.60 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2k0f h GLN 139 CO -0.40 0.55 0.08 1.98 -0.67 0.00 0.00 178.83 180.38 2k0f h MET 140 N 0.00 0.47 -0.04 1.46 4.05 -0.61 -3.34 114.93 116.92 2k0f h MET 140 Ca -0.04 -0.11 -0.13 0.00 -0.28 0.00 0.00 59.70 59.15 2k0f h MET 140 Cb 1.50 -0.07 0.01 0.00 -0.80 0.00 0.00 31.60 32.24 2k0f h MET 140 CO 0.07 0.53 -0.47 0.52 0.23 0.00 0.00 176.91 177.80 2k0f h MET 141 N 0.32 0.39 0.00 0.39 2.86 -0.98 -3.51 114.93 114.41 2k0f h MET 141 Ca 0.10 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2k0f h MET 141 Cb 0.26 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2k0f h MET 141 CO -0.00 1.02 0.00 2.41 1.06 0.00 0.00 176.91 181.40