#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 0.08 -0.42 -0.78 4.81 -2.05 0.04 114.58 116.27 2k0f h GLU 2 Ca 0.00 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 2k0f h GLU 2 Cb 0.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2k0f h GLU 2 CO 0.00 0.06 -0.24 1.05 -0.73 0.00 0.00 179.01 179.15 2k0f h GLU 3 N 0.09 0.85 0.00 1.92 9.09 -2.05 -0.38 114.58 124.10 2k0f h GLU 3 Ca 0.29 -0.36 -0.00 0.00 0.05 0.00 0.00 59.36 59.34 2k0f h GLU 3 Cb 1.03 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.09 2k0f h GLU 3 CO -0.03 0.99 -0.00 1.96 0.05 0.00 0.00 179.01 181.99 2k0f h GLN 4 N 0.73 -0.00 -0.68 1.06 4.20 -1.51 -2.14 115.11 116.78 2k0f h GLN 4 Ca 0.10 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.94 2k0f h GLN 4 Cb 0.77 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.42 2k0f h GLN 4 CO 0.06 0.94 -0.21 0.82 -0.67 0.00 0.00 178.83 179.77 2k0f h ILE 5 N -0.99 0.27 -0.71 2.54 2.04 -1.06 -1.70 117.51 117.91 2k0f h ILE 5 Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 2k0f h ILE 5 Cb 0.94 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 2k0f h ILE 5 CO 0.00 0.00 0.41 0.00 0.00 0.00 0.00 178.15 178.56 2k0f h ALA 6 N 1.54 0.95 -0.42 1.87 0.00 -1.10 0.34 119.26 122.45 2k0f h ALA 6 Ca 0.31 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 2k0f h ALA 6 Cb 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2k0f h ALA 6 CO -0.71 0.11 -0.06 1.49 0.00 0.00 0.00 179.25 180.08 2k0f h GLU 7 N 0.76 0.77 -0.03 0.00 4.57 -0.67 -0.90 114.58 119.09 2k0f h GLU 7 Ca 0.31 -0.27 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2k0f h GLU 7 Cb 0.16 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 2k0f h GLU 7 CO -0.17 0.88 0.01 0.74 -1.18 0.00 0.00 179.01 179.29 2k0f h PHE 8 N 0.60 0.04 -0.09 0.92 0.04 -1.05 -2.75 116.94 114.65 2k0f h PHE 8 Ca 0.11 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.90 2k0f h PHE 8 Cb 0.57 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 2k0f h PHE 8 CO 0.04 0.19 0.08 -0.22 -0.60 0.00 0.00 178.31 177.81 2k0f h LYS 9 N -0.12 0.00 0.14 1.51 1.63 -0.22 0.18 116.57 119.69 2k0f h LYS 9 Ca 0.01 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.53 2k0f h LYS 9 Cb 0.17 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.81 2k0f h LYS 9 CO -0.00 0.00 -1.26 0.93 -3.45 0.00 0.00 179.45 175.67 2k0f h GLU 10 N 0.00 0.32 -0.38 1.90 4.39 -1.03 -2.90 114.58 116.88 2k0f h GLU 10 Ca 0.04 -0.54 0.03 0.00 0.34 0.00 0.00 59.36 59.24 2k0f h GLU 10 Cb 0.21 0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 2k0f h GLU 10 CO -0.00 1.25 0.19 0.00 -1.16 0.00 0.00 179.01 179.29 2k0f h ALA 11 N 0.52 0.47 -0.51 3.43 0.00 -1.07 -2.99 119.26 119.12 2k0f h ALA 11 Ca -0.15 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 11 Cb 1.98 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 2k0f h ALA 11 CO 0.21 -0.17 0.34 0.35 0.00 0.00 0.00 179.25 179.98 2k0f h PHE 12 N 0.40 0.47 0.00 0.00 3.04 -0.78 -2.71 116.94 117.35 2k0f h PHE 12 Ca 0.16 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.12 2k0f h PHE 12 Cb 0.06 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.41 2k0f h PHE 12 CO -0.10 0.26 -0.24 0.77 -2.02 0.00 0.00 178.31 176.98 2k0f h SER 13 N 0.47 0.00 -0.03 0.41 0.02 -1.37 0.16 113.55 113.20 2k0f h SER 13 Ca 0.22 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2k0f h SER 13 Cb 0.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 2k0f h SER 13 CO -0.06 0.03 0.02 0.25 -1.14 0.00 0.00 176.83 175.93 2k0f h LEU 14 N 0.00 0.04 0.00 5.07 5.85 -1.34 -3.34 115.31 121.59 2k0f h LEU 14 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2k0f h LEU 14 Cb 0.78 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.81 2k0f h LEU 14 CO 0.00 0.08 0.00 0.49 -0.34 0.00 0.00 178.44 178.67 2k0f n PHE 15 N -5.04 0.00 -1.32 1.25 3.72 -1.03 -4.70 117.46 110.34 2k0f n PHE 15 Ca -0.07 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.25 2k0f n PHE 15 Cb 0.06 -0.28 -0.07 0.00 -0.94 0.00 0.00 39.48 38.24 2k0f n PHE 15 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2k0f n ASP 16 N -1.34 -0.30 0.13 4.37 2.03 0.52 -4.68 116.55 117.29 2k0f n ASP 16 Ca 0.00 -1.79 -0.14 0.00 0.52 0.00 0.00 54.79 53.38 2k0f n ASP 16 Cb 0.00 -1.15 -0.08 0.00 -0.72 0.00 0.00 41.12 39.17 2k0f n ASP 16 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2k0f h LYS 17 N 10.55 -0.31 -5.22 -0.67 1.79 -1.84 -3.39 116.57 117.48 2k0f h LYS 17 Ca 0.00 0.02 -0.64 0.00 -2.18 0.00 0.00 60.65 57.86 2k0f h LYS 17 Cb 1.01 0.07 -0.15 0.00 -1.58 0.00 0.00 32.23 31.58 2k0f h LYS 17 CO 1.05 -0.04 -0.10 0.16 -1.08 0.00 0.00 179.45 179.44 2k0f s ASP 18 N -5.11 6.32 -0.95 0.86 1.47 -1.26 -5.01 116.67 112.98 2k0f s ASP 18 Ca -0.15 0.13 -0.24 0.00 1.18 0.00 0.00 52.55 53.48 2k0f s ASP 18 Cb 0.03 -2.25 0.05 0.00 -0.34 0.00 0.00 42.92 40.40 2k0f s ASP 18 CO 0.60 -0.37 1.41 -0.83 0.68 0.00 0.00 175.17 176.66 2k0f s GLY 19 N 1.69 1.17 0.00 2.12 0.00 -1.26 -4.39 107.32 106.65 2k0f s GLY 19 Ca 0.18 -2.05 0.00 0.00 0.00 0.00 0.00 44.72 42.85 2k0f s GLY 19 CO 0.12 2.68 0.00 2.09 0.00 0.00 0.00 173.10 177.99 2k0f n ASP 20 N 9.01 2.55 0.00 1.64 5.75 -1.26 -5.05 116.55 129.20 2k0f n ASP 20 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.04 2k0f n ASP 20 Cb 0.51 0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.99 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 1.51 0.96 2.88 6.12 0.00 -1.26 -5.10 105.19 110.30 2k0f n GLY 21 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 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 0.52 -0.39 2.61 -4.23 -1.26 -4.35 115.64 106.54 2k0f s THR 22 Ca 0.00 -0.09 -0.20 0.00 -1.18 0.00 0.00 61.69 60.21 2k0f s THR 22 Cb 0.00 -0.56 0.01 0.00 1.34 0.00 0.00 72.50 73.29 2k0f s THR 22 CO 0.00 0.23 0.63 -0.63 -0.54 0.00 0.00 174.62 174.31 2k0f s ILE 23 N 1.05 4.87 0.86 2.99 1.01 -0.66 -4.80 121.20 126.51 2k0f s ILE 23 Ca -0.09 0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.82 2k0f s ILE 23 Cb -0.14 -4.12 0.19 0.00 0.01 0.00 0.00 42.46 38.40 2k0f s ILE 23 CO -0.01 -0.43 1.16 0.35 0.00 0.00 0.00 174.94 176.02 2k0f n THR 24 N 5.69 0.00 -0.18 2.92 -2.24 -1.26 -1.21 114.28 118.00 2k0f n THR 24 Ca -0.02 -1.02 -0.01 0.00 -2.27 0.00 0.00 64.05 60.73 2k0f n THR 24 Cb 0.48 -1.41 0.09 0.00 -2.10 0.00 0.00 70.33 67.38 2k0f n THR 24 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2k0f h THR 25 N -1.47 0.76 -0.45 4.28 1.35 -1.97 -2.19 112.91 113.22 2k0f h THR 25 Ca -0.38 -0.11 -0.14 0.00 -0.55 0.00 0.00 66.41 65.23 2k0f h THR 25 Cb 1.10 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.91 2k0f h THR 25 CO 0.29 0.06 -0.27 0.11 -0.25 0.00 0.00 175.52 175.46 2k0f h LYS 26 N 0.33 0.98 0.00 4.72 1.57 -1.98 -0.92 116.57 121.27 2k0f h LYS 26 Ca 0.27 -0.45 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 2k0f h LYS 26 Cb 0.34 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2k0f h LYS 26 CO -0.31 1.13 -0.24 0.93 -0.57 0.00 0.00 179.45 180.39 2k0f h GLU 27 N 0.83 0.00 0.61 3.15 5.08 -1.80 -0.34 114.58 122.11 2k0f h GLU 27 Ca 0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2k0f h GLU 27 Cb 0.86 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.12 2k0f h GLU 27 CO 0.08 0.24 -0.29 1.25 -1.00 0.00 0.00 179.01 179.29 2k0f h LEU 28 N 0.00 -0.70 -0.53 1.33 5.85 -1.37 -3.34 115.31 116.54 2k0f h LEU 28 Ca -0.00 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.85 2k0f h LEU 28 Cb 1.01 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 42.11 2k0f h LEU 28 CO 0.03 -0.38 -0.24 1.23 -0.34 0.00 0.00 178.44 178.74 2k0f h GLY 29 N -1.06 0.13 0.70 3.75 0.00 -0.69 -2.59 103.07 103.31 2k0f h GLY 29 Ca -0.08 0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.60 2k0f h GLY 29 CO 0.14 -0.22 0.23 0.00 0.00 0.00 0.00 176.54 176.69 2k0f h THR 30 N -0.11 0.93 -0.54 4.70 1.03 -1.23 0.32 112.91 118.02 2k0f h THR 30 Ca 0.24 -0.16 0.05 0.00 -0.01 0.00 0.00 66.41 66.54 2k0f h THR 30 Cb 0.49 0.44 -0.05 0.00 -1.07 0.00 0.00 68.15 67.96 2k0f h THR 30 CO -0.60 0.08 0.26 0.58 -0.01 0.00 0.00 175.52 175.83 2k0f h VAL 31 N 0.45 0.92 -0.65 0.00 2.07 -1.64 -0.62 116.25 116.79 2k0f h VAL 31 Ca 0.22 -0.17 0.12 0.00 0.82 0.00 0.00 66.70 67.69 2k0f h VAL 31 Cb 0.15 0.38 -0.09 0.00 -1.52 0.00 0.00 31.29 30.22 2k0f h VAL 31 CO -0.17 0.09 0.20 0.24 0.02 0.00 0.00 177.57 177.95 2k0f h MET 32 N 0.50 0.33 0.25 1.57 2.86 -1.04 -1.74 114.93 117.67 2k0f h MET 32 Ca 0.24 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 2k0f h MET 32 Cb 0.18 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2k0f h MET 32 CO -0.18 0.22 -0.12 -0.09 1.06 0.00 0.00 176.91 177.79 2k0f h ARG 33 N 0.34 -0.33 -0.18 1.72 2.43 -0.32 0.11 114.38 118.15 2k0f h ARG 33 Ca 0.34 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.49 2k0f h ARG 33 Cb 0.50 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2k0f h ARG 33 CO -0.39 -0.22 -0.06 1.03 -1.51 0.00 0.00 179.97 178.82 2k0f h SER 34 N -0.34 0.37 0.93 -3.80 0.87 -1.00 -3.29 113.55 107.28 2k0f h SER 34 Ca -0.03 -0.39 -0.15 0.00 -1.23 0.00 0.00 61.79 59.99 2k0f h SER 34 Cb 0.26 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2k0f h SER 34 CO 0.06 0.67 -0.69 -0.07 -0.53 0.00 0.00 176.83 176.27 2k0f h LEU 35 N 0.06 0.00 0.00 2.23 3.38 -1.36 -3.48 115.31 116.13 2k0f h LEU 35 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k0f h LEU 35 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2k0f h LEU 35 CO 0.02 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.85 2k0f n GLY 36 N 0.79 3.85 3.98 0.83 0.00 0.37 -4.47 105.19 110.54 2k0f n GLY 36 Ca -0.00 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 4.07 1.72 -0.13 1.61 -2.07 -1.25 -4.71 119.66 118.89 2k0f s GLN 37 Ca 0.00 -0.93 -0.22 0.00 -1.82 0.00 0.00 55.36 52.39 2k0f s GLN 37 Cb 0.00 -2.29 -0.03 0.00 -1.09 0.00 0.00 33.01 29.60 2k0f s GLN 37 CO 0.00 -1.44 0.66 1.21 -1.32 0.00 0.00 175.29 174.40 2k0f s ASN 38 N -4.70 6.83 1.03 12.60 2.47 -1.26 -3.59 114.94 128.32 2k0f s ASN 38 Ca 0.65 1.00 -0.17 0.00 0.42 0.00 0.00 52.86 54.77 2k0f s ASN 38 Cb -0.06 -2.37 0.23 0.00 -1.45 0.00 0.00 41.25 37.59 2k0f s ASN 38 CO 0.44 -0.19 1.28 -2.16 -3.72 0.00 0.00 177.10 172.76 2k0f s PRO 39 N 1.33 0.14 0.45 0.43 0.04 -1.26 -5.04 135.00 131.08 2k0f s PRO 39 Ca 0.33 -0.36 0.06 0.00 0.04 0.00 0.00 61.00 61.07 2k0f s PRO 39 Cb -0.16 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.61 2k0f s PRO 39 CO 0.13 -2.76 0.62 0.95 0.04 0.00 0.00 177.00 175.98 2k0f s THR 40 N -3.70 3.02 -0.19 1.26 -4.23 -1.26 -5.00 115.64 105.55 2k0f s THR 40 Ca 0.74 -0.90 0.29 0.00 -1.18 0.00 0.00 61.69 60.64 2k0f s THR 40 Cb -0.05 -3.04 0.35 0.00 1.34 0.00 0.00 72.50 71.10 2k0f s THR 40 CO 0.54 -0.02 1.82 -0.08 -0.54 0.00 0.00 174.62 176.34 2k0f h GLU 41 N 0.50 0.00 -0.01 3.99 4.81 -1.99 -2.34 114.58 119.54 2k0f h GLU 41 Ca -0.41 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2k0f h GLU 41 Cb 1.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 2k0f h GLU 41 CO 0.48 0.00 0.01 0.00 -0.73 0.00 0.00 179.01 178.76 2k0f h ALA 42 N 2.06 0.02 0.00 2.92 0.00 -2.00 -2.68 119.26 119.58 2k0f h ALA 42 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2k0f h ALA 42 Cb 0.67 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k0f h ALA 42 CO 0.00 -0.42 -0.03 0.93 0.00 0.00 0.00 179.25 179.73 2k0f h GLU 43 N -0.11 0.00 -0.02 0.00 4.39 -1.87 -2.31 114.58 114.65 2k0f h GLU 43 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 2k0f h GLU 43 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2k0f h GLU 43 CO -0.00 0.03 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.64 2k0f h LEU 44 N 0.00 0.19 -0.77 1.33 3.38 -1.43 -2.95 115.31 115.06 2k0f h LEU 44 Ca -0.00 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 57.24 2k0f h LEU 44 Cb 0.66 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2k0f h LEU 44 CO 0.00 0.86 0.38 1.56 0.09 0.00 0.00 178.44 181.34 2k0f h GLN 45 N -0.47 1.10 -0.97 1.13 1.08 -1.42 -0.86 115.11 114.69 2k0f h GLN 45 Ca -0.02 -0.16 0.20 0.00 -1.45 0.00 0.00 58.65 57.23 2k0f h GLN 45 Cb 0.87 -0.20 -0.11 0.00 -0.05 0.00 0.00 27.48 27.99 2k0f h GLN 45 CO 0.04 0.85 0.56 0.22 -0.95 0.00 0.00 178.83 179.54 2k0f h ASP 46 N 1.08 0.66 -0.29 1.46 3.58 -1.54 0.18 116.42 121.55 2k0f h ASP 46 Ca 0.26 0.12 -0.18 0.00 0.42 0.00 0.00 57.03 57.65 2k0f h ASP 46 Cb 0.11 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 2k0f h ASP 46 CO -0.03 0.18 -0.52 -0.03 -2.88 0.00 0.00 179.24 175.96 2k0f h MET 47 N 0.65 0.88 0.05 0.28 4.05 -1.18 -3.26 114.93 116.40 2k0f h MET 47 Ca 0.58 -0.54 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2k0f h MET 47 Cb 0.98 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 2k0f h MET 47 CO -0.43 1.18 -0.03 0.82 0.23 0.00 0.00 176.91 178.69 2k0f h ILE 48 N 0.68 1.22 -0.20 1.77 2.04 -0.69 -3.20 117.51 119.13 2k0f h ILE 48 Ca 0.02 -1.59 0.06 0.00 1.00 0.00 0.00 64.86 64.36 2k0f h ILE 48 Cb 1.13 2.17 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 2k0f h ILE 48 CO 0.12 0.36 0.94 0.78 0.00 0.00 0.00 178.15 180.35 2k0f h ASN 49 N -0.86 0.00 -0.48 1.72 2.35 -0.81 0.62 115.58 118.13 2k0f h ASN 49 Ca -0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 2k0f h ASN 49 Cb 0.65 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 2k0f h ASN 49 CO 0.01 0.00 0.18 -0.08 -1.65 0.00 0.00 177.43 175.89 2k0f h GLU 50 N 0.00 0.72 0.00 0.81 4.81 -1.59 -3.33 114.58 116.00 2k0f h GLU 50 Ca 0.09 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2k0f h GLU 50 Cb 1.98 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.25 2k0f h GLU 50 CO -0.00 0.66 -1.62 1.33 -0.73 0.00 0.00 179.01 178.64 2k0f n VAL 51 N -4.56 0.00 -1.51 0.32 0.24 -0.43 -4.97 118.33 107.41 2k0f n VAL 51 Ca 0.01 -0.34 -0.45 0.00 -2.04 0.00 0.00 64.34 61.52 2k0f n VAL 51 Cb 0.16 0.22 -0.06 0.00 -1.47 0.00 0.00 33.84 32.70 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k0f n ASP 52 N -1.98 2.38 -0.08 -1.34 2.03 0.08 -4.77 116.55 112.88 2k0f n ASP 52 Ca -0.02 0.17 -0.11 0.00 0.52 0.00 0.00 54.79 55.35 2k0f n ASP 52 Cb 0.39 -1.39 -0.05 0.00 -0.72 0.00 0.00 41.12 39.35 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f h ALA 53 N 14.46 0.10 -0.31 -1.67 0.00 -1.90 -3.43 119.26 126.50 2k0f h ALA 53 Ca -0.29 -0.74 -0.06 0.00 0.00 0.00 0.00 54.91 53.83 2k0f h ALA 53 Cb 1.29 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2k0f h ALA 53 CO 1.05 0.54 -0.02 0.38 0.00 0.00 0.00 179.25 181.20 2k0f h ASP 54 N -1.00 0.56 0.00 0.00 3.04 -1.96 -3.47 116.42 113.60 2k0f h ASP 54 Ca -0.13 -0.33 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 2k0f h ASP 54 Cb 0.78 -0.15 0.00 0.00 -1.04 0.00 0.00 39.33 38.92 2k0f h ASP 54 CO -0.08 0.75 0.00 0.61 -2.04 0.00 0.00 179.24 178.49 2k0f n GLY 55 N -0.28 0.17 0.15 7.15 0.00 -1.26 -5.04 105.19 106.08 2k0f n GLY 55 Ca -0.02 0.00 0.07 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 0.00 0.00 0.00 1.61 7.08 -1.94 -3.48 115.58 118.86 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.25 0.00 0.61 -2.08 0.00 0.00 177.43 176.21 2k0f n GLY 57 N 1.20 0.56 3.46 9.14 0.00 -1.26 -5.09 105.19 113.20 2k0f n GLY 57 Ca 0.00 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 2.41 -0.55 2.61 -4.23 -1.26 -4.55 115.64 108.08 2k0f s THR 58 Ca 0.00 -2.34 -0.22 0.00 -1.18 0.00 0.00 61.69 57.95 2k0f s THR 58 Cb 0.00 -2.26 0.05 0.00 1.34 0.00 0.00 72.50 71.63 2k0f s THR 58 CO 0.00 -0.37 0.84 -0.63 -0.54 0.00 0.00 174.62 173.92 2k0f s ILE 59 N -2.41 4.54 0.71 2.99 1.01 -0.35 -4.84 121.20 122.85 2k0f s ILE 59 Ca 0.28 -0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.81 2k0f s ILE 59 Cb -0.05 -4.47 0.05 0.00 0.01 0.00 0.00 42.46 38.00 2k0f s ILE 59 CO 0.14 -1.04 1.04 -1.81 0.00 0.00 0.00 174.94 173.27 2k0f s ASP 60 N 2.87 4.94 0.31 3.58 1.11 -1.26 -1.65 116.67 126.57 2k0f s ASP 60 Ca 0.25 0.65 0.02 0.00 0.18 0.00 0.00 52.55 53.64 2k0f s ASP 60 Cb -0.15 -1.33 0.51 0.00 1.07 0.00 0.00 42.92 43.02 2k0f s ASP 60 CO 0.16 -1.55 1.86 0.15 1.18 0.00 0.00 175.17 176.96 2k0f h PHE 61 N -0.64 0.70 -0.00 4.23 3.57 -1.97 0.31 116.94 123.14 2k0f h PHE 61 Ca -0.45 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 60.99 2k0f h PHE 61 Cb 1.30 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2k0f h PHE 61 CO 0.37 0.62 -0.17 -0.35 -2.23 0.00 0.00 178.31 176.54 2k0f n PRO 62 N -4.29 0.02 0.05 6.41 -0.04 -1.26 -2.32 135.00 133.57 2k0f n PRO 62 Ca 0.03 -0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.31 2k0f n PRO 62 Cb 0.22 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.04 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 0.01 0.24 -0.87 0.54 5.08 -1.70 -3.26 114.58 114.62 2k0f h GLU 63 Ca 0.00 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 2k0f h GLU 63 Cb 0.50 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2k0f h GLU 63 CO 0.00 1.08 0.44 0.35 -1.00 0.00 0.00 179.01 179.87 2k0f h PHE 64 N 0.06 1.24 -0.81 4.33 3.57 -0.98 -2.57 116.94 121.79 2k0f h PHE 64 Ca -0.28 -0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.30 2k0f h PHE 64 Cb 2.02 -0.39 -0.09 0.00 2.79 0.00 0.00 35.95 40.29 2k0f h PHE 64 CO 0.06 0.88 0.41 1.25 -2.23 0.00 0.00 178.31 178.68 2k0f h LEU 65 N 1.24 0.51 0.71 0.59 6.46 -1.58 -1.99 115.31 121.25 2k0f h LEU 65 Ca 0.30 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 58.11 2k0f h LEU 65 Cb 0.09 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.01 2k0f h LEU 65 CO -0.04 0.25 -0.44 0.74 -0.62 0.00 0.00 178.44 178.32 2k0f h THR 66 N 0.63 0.11 0.00 1.05 2.02 -1.53 0.70 112.91 115.89 2k0f h THR 66 Ca 0.42 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.60 2k0f h THR 66 Cb 0.54 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2k0f h THR 66 CO -0.33 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.56 2k0f h MET 67 N -1.09 0.00 0.00 6.66 -0.00 -1.04 -1.93 114.93 117.53 2k0f h MET 67 Ca -0.09 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.56 2k0f h MET 67 Cb 0.88 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.47 2k0f h MET 67 CO 0.09 0.00 -0.34 0.52 -0.00 0.00 0.00 176.91 177.18 2k0f h MET 68 N 0.00 0.00 -0.94 -0.10 2.07 -1.05 -3.40 114.93 111.51 2k0f h MET 68 Ca 0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2k0f h MET 68 Cb 0.22 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 29.90 2k0f h MET 68 CO 0.00 0.53 0.57 0.00 1.07 0.00 0.00 176.91 179.08 2k0f h ALA 69 N -0.57 1.23 -1.74 6.32 0.00 -0.75 -3.46 119.26 120.27 2k0f h ALA 69 Ca -0.07 -0.10 -0.68 0.00 0.00 0.00 0.00 54.91 54.06 2k0f h ALA 69 Cb 0.68 -0.38 0.04 0.00 0.00 0.00 0.00 17.79 18.13 2k0f h ALA 69 CO -0.04 0.66 0.63 -2.13 0.00 0.00 0.00 179.25 178.37 2k0f n ARG 70 N -4.35 1.33 -3.88 0.00 0.63 -0.74 -4.95 116.66 104.70 2k0f n ARG 70 Ca 0.11 0.48 -0.36 0.00 -0.92 0.00 0.00 57.85 57.16 2k0f n ARG 70 Cb 0.06 -2.16 -0.11 0.00 0.45 0.00 0.00 32.46 30.70 2k0f n ARG 70 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2k0f s LYS 71 N 1.41 3.87 0.75 -0.14 2.20 -1.26 -5.06 119.74 121.51 2k0f s LYS 71 Ca 0.87 -0.39 -0.05 0.00 -0.36 0.00 0.00 55.97 56.05 2k0f s LYS 71 Cb -0.93 -3.30 0.12 0.00 -1.51 0.00 0.00 37.83 32.20 2k0f s LYS 71 CO 0.50 0.07 1.05 -1.64 -0.36 0.00 0.00 175.35 174.96 2k0f s MET 72 N 0.95 1.65 0.89 4.03 -1.94 -1.26 -5.09 119.30 118.52 2k0f s MET 72 Ca 0.04 -0.76 -0.12 0.00 -1.71 0.00 0.00 55.69 53.15 2k0f s MET 72 Cb -0.14 -2.21 0.13 0.00 2.01 0.00 0.00 34.83 34.61 2k0f s MET 72 CO 0.03 -1.54 1.09 0.15 -0.01 0.00 0.00 175.02 174.75 2k0f s LYS 73 N -5.28 1.31 0.26 2.03 1.02 -1.26 -4.89 119.74 112.92 2k0f s LYS 73 Ca 0.66 0.75 -0.03 0.00 0.02 0.00 0.00 55.97 57.37 2k0f s LYS 73 Cb -0.07 -1.82 0.39 0.00 -0.52 0.00 0.00 37.83 35.81 2k0f s LYS 73 CO 0.46 -2.19 1.87 -0.44 -0.92 0.00 0.00 175.35 174.12 2k0f h ASP 74 N -1.51 0.96 -0.22 2.83 5.19 -1.98 -1.67 116.42 120.02 2k0f h ASP 74 Ca -0.50 0.01 -0.20 0.00 -0.62 0.00 0.00 57.03 55.73 2k0f h ASP 74 Cb 1.29 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.61 2k0f h ASP 74 CO 0.56 0.61 -0.63 0.74 -3.12 0.00 0.00 179.24 177.40 2k0f h THR 75 N 1.09 1.28 -0.19 0.35 2.02 -1.99 -0.94 112.91 114.53 2k0f h THR 75 Ca 0.41 -1.82 -0.08 0.00 0.77 0.00 0.00 66.41 65.70 2k0f h THR 75 Cb 0.19 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 2k0f h THR 75 CO -0.18 0.59 -0.19 0.44 0.37 0.00 0.00 175.52 176.55 2k0f h ASP 76 N 0.62 0.49 -0.83 4.18 3.32 -1.94 -1.53 116.42 120.72 2k0f h ASP 76 Ca -0.01 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2k0f h ASP 76 Cb 1.24 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 2k0f h ASP 76 CO 0.13 0.86 0.52 -1.28 -1.72 0.00 0.00 179.24 177.76 2k0f h SER 77 N 0.12 0.97 -0.75 6.45 0.87 -1.26 -2.26 113.55 117.70 2k0f h SER 77 Ca 0.03 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 2k0f h SER 77 Cb 0.73 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 2k0f h SER 77 CO 0.05 0.73 0.25 -0.08 -0.53 0.00 0.00 176.83 177.25 2k0f h GLU 78 N 1.13 1.15 -0.48 2.24 4.81 -1.02 -3.01 114.58 119.41 2k0f h GLU 78 Ca 0.30 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 78 Cb -0.08 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 2k0f h GLU 78 CO -0.06 0.97 0.04 1.49 -0.73 0.00 0.00 179.01 180.72 2k0f h GLU 79 N 1.10 0.76 -0.05 1.92 4.57 -1.24 -2.69 114.58 118.95 2k0f h GLU 79 Ca 0.24 -0.18 0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2k0f h GLU 79 Cb 0.29 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 2k0f h GLU 79 CO -0.01 0.74 -0.01 1.49 -1.18 0.00 0.00 179.01 180.05 2k0f h GLU 80 N 0.72 0.01 -0.93 1.92 4.81 -1.38 -0.63 114.58 119.10 2k0f h GLU 80 Ca 0.15 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2k0f h GLU 80 Cb 0.38 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 2k0f h GLU 80 CO 0.01 0.01 0.61 0.82 -0.73 0.00 0.00 179.01 179.73 2k0f h ILE 81 N 0.01 1.24 -0.26 2.32 2.04 -1.47 -0.36 117.51 121.03 2k0f h ILE 81 Ca 0.02 -0.44 -0.14 0.00 1.00 0.00 0.00 64.86 65.30 2k0f h ILE 81 Cb 0.03 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 35.98 2k0f h ILE 81 CO -0.04 0.23 -0.39 0.08 0.00 0.00 0.00 178.15 178.03 2k0f h ARG 82 N 1.26 0.73 -0.76 2.37 0.11 -1.18 -0.26 114.38 116.65 2k0f h ARG 82 Ca 0.34 -0.43 -0.00 0.00 0.10 0.00 0.00 59.98 59.99 2k0f h ARG 82 Cb -0.14 0.04 -0.04 0.00 1.11 0.00 0.00 29.97 30.94 2k0f h ARG 82 CO -0.07 1.05 0.47 0.93 0.10 0.00 0.00 179.97 182.45 2k0f h GLU 83 N 0.46 1.02 -0.33 0.08 4.39 -1.15 0.18 114.58 119.24 2k0f h GLU 83 Ca 0.03 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.49 2k0f h GLU 83 Cb 0.98 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 2k0f h GLU 83 CO 0.09 0.71 -0.41 0.00 -1.16 0.00 0.00 179.01 178.24 2k0f h ALA 84 N 1.25 0.65 -0.68 3.43 0.00 -0.97 -1.62 119.26 121.32 2k0f h ALA 84 Ca 0.27 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2k0f h ALA 84 Cb -0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2k0f h ALA 84 CO -0.05 0.67 0.19 0.35 0.00 0.00 0.00 179.25 180.41 2k0f h PHE 85 N 0.66 1.12 0.13 0.00 3.57 -0.75 -2.17 116.94 119.49 2k0f h PHE 85 Ca 0.05 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.43 2k0f h PHE 85 Cb 0.98 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2k0f h PHE 85 CO 0.06 0.91 -0.13 -0.09 -2.23 0.00 0.00 178.31 176.82 2k0f h ARG 86 N 1.01 -0.28 0.00 1.11 2.43 -0.44 -2.93 114.38 115.28 2k0f h ARG 86 Ca 0.22 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 2k0f h ARG 86 Cb 0.33 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2k0f h ARG 86 CO -0.00 -0.19 -0.07 0.28 -1.51 0.00 0.00 179.97 178.48 2k0f h VAL 87 N -0.29 0.79 0.73 0.20 2.07 -1.33 -3.19 116.25 115.23 2k0f h VAL 87 Ca 0.01 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2k0f h VAL 87 Cb 0.28 1.16 0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2k0f h VAL 87 CO -0.04 0.07 -0.35 0.15 0.02 0.00 0.00 177.57 177.42 2k0f h PHE 88 N 0.00 -0.91 -3.54 1.57 3.04 -1.21 -3.42 116.94 112.47 2k0f h PHE 88 Ca -0.00 -0.02 -0.56 0.00 3.98 0.00 0.00 57.97 61.37 2k0f h PHE 88 Cb 0.15 0.30 -0.07 0.00 2.56 0.00 0.00 35.95 38.89 2k0f h PHE 88 CO 0.00 -0.55 0.97 0.34 -2.02 0.00 0.00 178.31 177.05 2k0f s ASP 89 N -4.36 6.53 0.02 0.41 2.15 -1.15 -4.93 116.67 115.34 2k0f s ASP 89 Ca -0.18 0.50 -0.21 0.00 0.43 0.00 0.00 52.55 53.10 2k0f s ASP 89 Cb 0.03 -2.55 -0.17 0.00 -0.30 0.00 0.00 42.92 39.93 2k0f s ASP 89 CO 0.59 -1.34 1.25 0.50 -0.17 0.00 0.00 175.17 176.01 2k0f h LYS 90 N 9.66 0.34 0.01 4.34 1.63 -1.85 -3.28 116.57 127.42 2k0f h LYS 90 Ca -0.24 -0.23 -0.00 0.00 -0.85 0.00 0.00 60.65 59.33 2k0f h LYS 90 Cb 1.07 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 2k0f h LYS 90 CO 1.13 0.83 -0.00 0.38 -3.45 0.00 0.00 179.45 178.33 2k0f h ASP 91 N -0.10 -0.01 0.00 4.20 2.03 -1.96 -3.49 116.42 117.09 2k0f h ASP 91 Ca 0.00 -0.40 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 2k0f h ASP 91 Cb 0.83 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.33 2k0f h ASP 91 CO 0.05 0.40 0.00 0.61 -1.03 0.00 0.00 179.24 179.27 2k0f n GLY 92 N 0.00 0.84 0.37 7.15 0.00 -1.24 -5.00 105.19 107.31 2k0f n GLY 92 Ca -0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 1.65 -1.84 1.61 0.23 -1.26 -4.97 115.26 110.68 2k0f n ASN 93 Ca 0.00 -1.32 -0.12 0.00 -0.53 0.00 0.00 54.58 52.60 2k0f n ASN 93 Cb 0.00 0.49 0.02 0.00 -2.08 0.00 0.00 39.78 38.21 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 94 N 1.19 0.04 2.79 4.83 0.00 -1.26 -5.05 105.19 107.73 2k0f n GLY 94 Ca 0.07 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.93 0.06 -0.13 1.61 1.51 -1.26 -4.43 117.35 111.77 2k0f s TYR 95 Ca 0.19 0.09 -0.03 0.00 -1.01 0.00 0.00 57.07 56.32 2k0f s TYR 95 Cb -0.09 -0.22 -0.03 0.00 -0.11 0.00 0.00 41.96 41.52 2k0f s TYR 95 CO 0.24 -0.08 -0.04 0.42 -1.11 0.00 0.00 175.55 174.98 2k0f s ILE 96 N 0.88 3.85 0.48 2.71 1.01 -0.53 -4.94 121.20 124.66 2k0f s ILE 96 Ca -0.08 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.26 2k0f s ILE 96 Cb -0.11 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.71 2k0f s ILE 96 CO -0.02 0.52 0.45 -0.94 0.00 0.00 0.00 174.94 174.95 2k0f s SER 97 N 0.07 4.93 0.43 3.58 1.04 -1.26 -1.92 113.70 120.58 2k0f s SER 97 Ca -0.01 -0.92 0.20 0.00 0.48 0.00 0.00 55.95 55.71 2k0f s SER 97 Cb -0.14 -0.13 0.99 0.00 0.10 0.00 0.00 66.02 66.84 2k0f s SER 97 CO 0.03 -0.90 1.89 0.00 0.98 0.00 0.00 173.24 175.24 2k0f h ALA 98 N 0.81 1.22 -0.30 5.32 0.00 -1.97 -1.24 119.26 123.10 2k0f h ALA 98 Ca -0.38 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 2k0f h ALA 98 Cb 1.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2k0f h ALA 98 CO 0.55 0.33 -0.17 0.00 0.00 0.00 0.00 179.25 179.96 2k0f h ALA 99 N 1.73 0.42 -0.13 0.00 0.00 -1.97 -1.31 119.26 118.00 2k0f h ALA 99 Ca -0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 2k0f h ALA 99 Cb 0.61 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k0f h ALA 99 CO 0.03 0.34 -0.71 0.93 0.00 0.00 0.00 179.25 179.85 2k0f h GLU 100 N 0.39 0.57 -0.48 0.00 5.08 -1.94 -1.48 114.58 116.72 2k0f h GLU 100 Ca 0.06 -0.44 -0.04 0.00 -1.00 0.00 0.00 59.36 57.94 2k0f h GLU 100 Cb 0.71 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2k0f h GLU 100 CO 0.05 1.07 0.15 1.25 -1.00 0.00 0.00 179.01 180.52 2k0f h LEU 101 N 0.40 0.71 -0.53 1.33 5.85 -1.25 0.16 115.31 121.98 2k0f h LEU 101 Ca -0.03 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.55 2k0f h LEU 101 Cb 1.30 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 2k0f h LEU 101 CO 0.13 0.73 0.20 -0.09 -0.34 0.00 0.00 178.44 179.07 2k0f h ARG 102 N 0.65 0.38 0.39 1.25 2.43 -1.23 -2.58 114.38 115.66 2k0f h ARG 102 Ca 0.16 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2k0f h ARG 102 Cb 0.28 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2k0f h ARG 102 CO -0.00 0.25 -0.19 1.25 -1.51 0.00 0.00 179.97 179.77 2k0f h HIS 103 N 0.39 -0.48 -0.97 2.20 2.76 -0.97 -0.15 115.15 117.93 2k0f h HIS 103 Ca 0.25 -0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.57 2k0f h HIS 103 Cb 0.26 0.16 -0.16 0.00 1.55 0.00 0.00 27.41 29.22 2k0f h HIS 103 CO -0.15 -0.22 -0.37 0.28 -1.30 0.00 0.00 177.93 176.17 2k0f n VAL 104 N -5.25 -0.51 0.08 5.26 0.31 0.53 -1.72 118.33 117.03 2k0f n VAL 104 Ca -0.11 2.28 -0.11 0.00 -0.01 0.00 0.00 64.34 66.39 2k0f n VAL 104 Cb 0.26 -3.02 -0.13 0.00 -0.91 0.00 0.00 33.84 30.04 2k0f n VAL 104 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2k0f h MET 105 N 0.00 0.12 0.18 5.55 2.86 -1.40 -2.42 114.93 119.82 2k0f h MET 105 Ca 0.35 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2k0f h MET 105 Cb 0.59 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.29 2k0f h MET 105 CO -0.97 1.08 -0.38 1.15 1.06 0.00 0.00 176.91 178.85 2k0f h THR 106 N 0.03 0.22 -0.08 2.22 2.02 -0.86 0.21 112.91 116.67 2k0f h THR 106 Ca -0.08 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.12 2k0f h THR 106 Cb 1.87 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2k0f h THR 106 CO 0.16 0.00 0.06 0.78 0.37 0.00 0.00 175.52 176.89 2k0f h ASN 107 N -0.65 0.00 0.13 4.18 2.35 -1.32 -2.67 115.58 117.59 2k0f h ASN 107 Ca 0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2k0f h ASN 107 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2k0f h ASN 107 CO -0.19 0.00 -0.06 -0.07 -1.65 0.00 0.00 177.43 175.46 2k0f h LEU 108 N 0.00 -0.15 0.00 1.61 3.38 -1.37 -3.46 115.31 115.32 2k0f h LEU 108 Ca 0.04 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2k0f h LEU 108 Cb 0.16 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2k0f h LEU 108 CO -0.00 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.59 2k0f n GLY 109 N 1.04 0.00 4.00 0.83 0.00 -0.34 -4.99 105.19 105.73 2k0f n GLY 109 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 2.80 -0.67 1.61 0.41 0.60 -5.01 118.70 118.44 2k0f s GLU 110 Ca 0.00 -1.09 0.01 0.00 -0.41 0.00 0.00 54.97 53.48 2k0f s GLU 110 Cb 0.00 -2.70 0.17 0.00 -1.78 0.00 0.00 34.13 29.82 2k0f s GLU 110 CO 0.00 -0.34 0.47 0.21 -0.49 0.00 0.00 175.26 175.11 2k0f s LYS 111 N -4.44 2.53 -0.03 1.61 2.20 -1.26 -4.68 119.74 115.66 2k0f s LYS 111 Ca 0.54 -2.91 -0.08 0.00 -0.36 0.00 0.00 55.97 53.16 2k0f s LYS 111 Cb -0.10 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.58 2k0f s LYS 111 CO 0.34 -1.20 0.26 -0.51 -0.36 0.00 0.00 175.35 173.88 2k0f s LEU 112 N -0.73 4.40 0.44 5.43 1.43 -1.26 -4.98 118.68 123.41 2k0f s LEU 112 Ca 0.21 0.62 0.07 0.00 -1.03 0.00 0.00 54.13 54.00 2k0f s LEU 112 Cb -0.15 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 2k0f s LEU 112 CO -0.07 0.31 0.33 0.42 0.23 0.00 0.00 176.35 177.57 2k0f s THR 113 N -1.18 2.41 0.41 5.49 -4.23 -1.26 -4.98 115.64 112.29 2k0f s THR 113 Ca 0.23 -1.45 0.16 0.00 -1.18 0.00 0.00 61.69 59.45 2k0f s THR 113 Cb -0.14 -2.87 0.17 0.00 1.34 0.00 0.00 72.50 71.01 2k0f s THR 113 CO 0.12 0.00 1.94 0.44 -0.54 0.00 0.00 174.62 176.58 2k0f h ASP 114 N 1.08 0.00 -0.22 3.99 5.19 -1.98 -0.99 116.42 123.49 2k0f h ASP 114 Ca -0.41 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.97 2k0f h ASP 114 Cb 1.27 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.77 2k0f h ASP 114 CO 0.61 0.24 0.03 -0.33 -3.12 0.00 0.00 179.24 176.67 2k0f h GLU 115 N 0.00 0.37 0.14 3.56 3.07 -1.98 -0.20 114.58 119.55 2k0f h GLU 115 Ca -0.00 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 2k0f h GLU 115 Cb 0.46 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 2k0f h GLU 115 CO 0.03 0.52 -0.07 0.93 -1.40 0.00 0.00 179.01 179.03 2k0f h GLU 116 N 0.16 -0.18 -0.73 2.33 4.39 -1.90 -1.67 114.58 116.98 2k0f h GLU 116 Ca 0.07 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.86 2k0f h GLU 116 Cb 0.34 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 2k0f h GLU 116 CO 0.01 -0.10 0.48 0.28 -1.16 0.00 0.00 179.01 178.52 2k0f h VAL 117 N -0.22 0.98 -0.45 3.13 2.07 -1.09 0.12 116.25 120.80 2k0f h VAL 117 Ca -0.02 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 2k0f h VAL 117 Cb 0.17 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2k0f h VAL 117 CO 0.03 0.13 -0.22 -0.78 0.02 0.00 0.00 177.57 176.75 2k0f h ASP 118 N 0.70 0.97 -0.34 0.57 3.58 -1.06 -0.93 116.42 119.92 2k0f h ASP 118 Ca 0.32 -0.40 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 2k0f h ASP 118 Cb 0.35 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2k0f h ASP 118 CO -0.11 1.16 0.16 -0.08 -2.88 0.00 0.00 179.24 177.49 2k0f h GLU 119 N 0.78 0.48 -0.18 0.28 4.81 -0.28 -2.33 114.58 118.15 2k0f h GLU 119 Ca 0.10 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.07 2k0f h GLU 119 Cb 0.79 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.09 2k0f h GLU 119 CO 0.07 0.44 -0.64 1.98 -0.73 0.00 0.00 179.01 180.13 2k0f h MET 120 N 0.41 0.75 0.00 1.92 4.05 -0.75 -2.55 114.93 118.76 2k0f h MET 120 Ca 0.12 -0.57 -0.02 0.00 -0.28 0.00 0.00 59.70 58.95 2k0f h MET 120 Cb 0.12 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.02 2k0f h MET 120 CO -0.01 1.19 -0.08 0.97 0.23 0.00 0.00 176.91 179.20 2k0f h ILE 121 N 0.47 0.16 -0.16 1.77 2.10 -1.27 -3.09 117.51 117.49 2k0f h ILE 121 Ca -0.03 -1.01 -0.20 0.00 1.08 0.00 0.00 64.86 64.70 2k0f h ILE 121 Cb 1.27 1.88 0.00 0.00 -1.09 0.00 0.00 36.82 38.88 2k0f h ILE 121 CO 0.14 0.08 -0.72 -0.09 -1.08 0.00 0.00 178.15 176.48 2k0f h ARG 122 N 0.00 0.70 0.00 2.19 2.43 -1.17 0.43 114.38 118.95 2k0f h ARG 122 Ca -0.00 -0.54 -0.05 0.00 -0.81 0.00 0.00 59.98 58.58 2k0f h ARG 122 Cb 0.87 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2k0f h ARG 122 CO 0.01 1.15 -0.26 1.05 -1.51 0.00 0.00 179.97 180.41 2k0f h GLU 123 N 0.49 0.00 -0.01 0.20 4.11 -1.55 -3.31 114.58 114.51 2k0f h GLU 123 Ca -0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 2k0f h GLU 123 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2k0f h GLU 123 CO 0.14 0.26 -0.08 0.00 0.07 0.00 0.00 179.01 179.40 2k0f h ALA 124 N 1.74 0.02 -2.38 1.06 0.00 -1.33 -3.45 119.26 114.92 2k0f h ALA 124 Ca -0.00 -0.39 -0.54 0.00 0.00 0.00 0.00 54.91 53.97 2k0f h ALA 124 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2k0f h ALA 124 CO 0.03 -0.06 0.65 0.34 0.00 0.00 0.00 179.25 180.21 2k0f s ASP 125 N -6.05 7.06 -0.13 0.00 2.15 0.09 -4.76 116.67 115.03 2k0f s ASP 125 Ca -0.17 1.90 -0.11 0.00 0.43 0.00 0.00 52.55 54.60 2k0f s ASP 125 Cb 0.00 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 125 CO 0.70 -0.54 -0.22 -0.38 -0.17 0.00 0.00 175.17 174.56 2k0f n ILE 126 N 4.35 1.15 -0.00 4.11 5.41 -1.26 -4.82 119.36 128.30 2k0f n ILE 126 Ca 0.10 0.24 -0.13 0.00 1.00 0.00 0.00 62.75 63.97 2k0f n ILE 126 Cb 0.46 -2.18 -0.09 0.00 -0.71 0.00 0.00 39.64 37.13 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 -0.78 0.03 0.00 4.38 3.04 -1.94 -3.47 116.42 117.68 2k0f h ASP 127 Ca 0.00 -0.31 0.00 0.00 -3.24 0.00 0.00 57.03 53.48 2k0f h ASP 127 Cb 0.63 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.91 2k0f h ASP 127 CO 0.00 0.33 0.00 0.61 -2.04 0.00 0.00 179.24 178.14 2k0f n GLY 128 N -0.25 1.10 0.09 7.15 0.00 -1.26 -5.07 105.19 106.94 2k0f n GLY 128 Ca -0.08 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 0.07 0.00 1.61 3.04 -1.96 -3.47 116.42 115.71 2k0f h ASP 129 Ca 0.00 -0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.72 2k0f h ASP 129 Cb 0.00 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.27 2k0f h ASP 129 CO 0.00 0.94 0.00 0.61 -2.04 0.00 0.00 179.24 178.75 2k0f n GLY 130 N 1.04 0.94 3.20 7.15 0.00 -1.26 -5.07 105.19 111.19 2k0f n GLY 130 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.80 1.24 -0.33 1.61 -0.21 -1.26 -4.46 119.66 115.45 2k0f s GLN 131 Ca 0.00 -0.83 -0.12 0.00 0.02 0.00 0.00 55.36 54.43 2k0f s GLN 131 Cb 0.00 -1.30 -0.02 0.00 1.00 0.00 0.00 33.01 32.69 2k0f s GLN 131 CO 0.00 0.33 0.22 0.08 -2.12 0.00 0.00 175.29 173.80 2k0f s VAL 132 N -0.75 5.14 0.00 1.09 1.01 -0.81 -4.85 120.40 121.22 2k0f s VAL 132 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2k0f s VAL 132 Cb -0.08 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2k0f s VAL 132 CO 0.01 0.03 0.00 -0.46 0.00 0.00 0.00 175.10 174.68 2k0f n ASN 133 N 5.07 0.00 -0.09 3.32 0.23 -1.26 -1.46 115.26 121.08 2k0f n ASN 133 Ca -0.13 -0.31 -0.13 0.00 -0.53 0.00 0.00 54.58 53.48 2k0f n ASN 133 Cb 0.50 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.15 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N -0.06 0.84 -0.35 -2.53 3.20 -1.98 -2.84 116.97 113.25 2k0f h TYR 134 Ca 0.00 -0.26 0.07 0.00 3.14 0.00 0.00 58.73 61.67 2k0f h TYR 134 Cb 0.00 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.04 2k0f h TYR 134 CO 0.00 1.01 -0.04 1.49 -1.64 0.00 0.00 178.16 178.98 2k0f h GLU 135 N 0.43 0.05 -0.07 1.82 4.57 -1.98 -2.70 114.58 116.70 2k0f h GLU 135 Ca 0.04 -0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.11 2k0f h GLU 135 Cb 0.89 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 2k0f h GLU 135 CO 0.08 0.03 -0.43 0.93 -1.18 0.00 0.00 179.01 178.44 2k0f h GLU 136 N 0.05 0.16 0.13 1.92 5.08 -1.88 -1.15 114.58 118.90 2k0f h GLU 136 Ca 0.17 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 136 Cb 0.25 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 2k0f h GLU 136 CO -0.32 0.57 -0.32 0.35 -1.00 0.00 0.00 179.01 178.28 2k0f h PHE 137 N 0.14 -0.88 0.00 4.33 3.04 -1.31 -3.30 116.94 118.96 2k0f h PHE 137 Ca 0.01 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2k0f h PHE 137 Cb 0.82 0.37 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2k0f h PHE 137 CO 0.01 -0.43 -0.68 0.28 -2.02 0.00 0.00 178.31 175.47 2k0f h VAL 138 N -0.55 0.00 0.00 1.41 2.07 -1.07 -3.30 116.25 114.80 2k0f h VAL 138 Ca 0.03 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 2k0f h VAL 138 Cb 0.58 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2k0f h VAL 138 CO -0.18 0.00 -0.09 1.56 0.02 0.00 0.00 177.57 178.88 2k0f h GLN 139 N 0.00 0.00 -0.42 1.57 1.08 -1.31 -0.73 115.11 115.30 2k0f h GLN 139 Ca 0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 2k0f h GLN 139 Cb 0.94 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.36 2k0f h GLN 139 CO 0.00 0.09 -0.10 0.52 -0.95 0.00 0.00 178.83 178.39 2k0f h MET 140 N 0.00 0.74 0.12 1.46 2.86 -1.66 -3.38 114.93 115.07 2k0f h MET 140 Ca -0.00 -0.24 -0.36 0.00 -2.06 0.00 0.00 59.70 57.05 2k0f h MET 140 Cb 0.57 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2k0f h MET 140 CO 0.01 0.82 -1.94 0.52 1.06 0.00 0.00 176.91 177.38 2k0f h MET 141 N 0.68 0.25 0.00 1.72 2.86 -1.30 -3.53 114.93 115.60 2k0f h MET 141 Ca 0.12 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 2k0f h MET 141 Cb 0.56 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2k0f h MET 141 CO 0.03 1.15 0.00 0.25 1.06 0.00 0.00 176.91 179.40