#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 0.67 -0.46 -2.82 4.11 -2.05 -2.19 114.58 111.84 2k0f h GLU 2 Ca 0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.37 2k0f h GLU 2 Cb 0.00 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2k0f h GLU 2 CO 0.00 0.44 0.20 1.05 0.07 0.00 0.00 179.01 180.77 2k0f h GLU 3 N 0.69 0.65 -0.05 1.06 9.09 -2.05 0.16 114.58 124.13 2k0f h GLU 3 Ca 0.42 -0.08 -0.20 0.00 0.05 0.00 0.00 59.36 59.55 2k0f h GLU 3 Cb 0.65 -0.13 0.01 0.00 -1.65 0.00 0.00 28.75 27.64 2k0f h GLU 3 CO -0.18 0.53 -0.74 0.37 0.05 0.00 0.00 179.01 179.04 2k0f h GLN 4 N 0.65 0.59 -0.47 1.06 4.15 -1.84 -2.50 115.11 116.76 2k0f h GLN 4 Ca 0.16 -0.57 0.05 0.00 0.77 0.00 0.00 58.65 59.07 2k0f h GLN 4 Cb 0.10 0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.89 2k0f h GLN 4 CO -0.02 1.18 0.20 0.82 -1.93 0.00 0.00 178.83 179.09 2k0f h ILE 5 N 0.20 0.91 0.00 2.39 1.08 -1.41 -1.24 117.51 119.44 2k0f h ILE 5 Ca -0.08 -0.14 -0.07 0.00 -0.39 0.00 0.00 64.86 64.19 2k0f h ILE 5 Cb 1.40 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.61 2k0f h ILE 5 CO 0.15 0.07 -0.32 0.00 -0.69 0.00 0.00 178.15 177.36 2k0f h ALA 6 N 1.28 1.40 0.12 1.87 0.00 -0.72 -0.03 119.26 123.19 2k0f h ALA 6 Ca 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 6 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2k0f h ALA 6 CO -0.18 0.40 -0.06 0.93 0.00 0.00 0.00 179.25 180.34 2k0f h GLU 7 N 0.00 -0.16 -0.61 0.00 5.08 -1.04 -3.17 114.58 114.68 2k0f h GLU 7 Ca -0.00 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2k0f h GLU 7 Cb 0.59 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2k0f h GLU 7 CO 0.04 0.28 0.03 0.74 -1.00 0.00 0.00 179.01 179.10 2k0f h PHE 8 N -0.66 1.11 0.44 4.33 0.04 -0.97 -2.66 116.94 118.57 2k0f h PHE 8 Ca -0.02 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.56 2k0f h PHE 8 Cb 0.51 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.36 2k0f h PHE 8 CO 0.08 0.97 -0.21 -0.22 -0.60 0.00 0.00 178.31 178.33 2k0f h LYS 9 N 0.96 -0.57 0.00 1.51 1.63 -1.18 -2.42 116.57 116.50 2k0f h LYS 9 Ca 0.18 0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.90 2k0f h LYS 9 Cb 0.51 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 2k0f h LYS 9 CO 0.02 -0.28 -0.56 0.93 -3.45 0.00 0.00 179.45 176.10 2k0f h GLU 10 N -0.80 0.00 -0.62 1.90 5.08 -1.59 0.21 114.58 118.76 2k0f h GLU 10 Ca -0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2k0f h GLU 10 Cb 0.55 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2k0f h GLU 10 CO 0.10 0.56 0.30 0.00 -1.00 0.00 0.00 179.01 178.97 2k0f h ALA 11 N 1.44 1.37 0.03 3.43 0.00 -1.54 -3.34 119.26 120.66 2k0f h ALA 11 Ca -0.01 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.52 2k0f h ALA 11 Cb 1.19 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 18.75 2k0f h ALA 11 CO 0.07 0.50 -1.08 0.35 0.00 0.00 0.00 179.25 179.09 2k0f h PHE 12 N 0.87 0.93 -0.21 0.00 3.57 -0.67 -3.28 116.94 118.15 2k0f h PHE 12 Ca 0.22 -0.53 0.06 0.00 3.53 0.00 0.00 57.97 61.25 2k0f h PHE 12 Cb 0.08 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2k0f h PHE 12 CO 0.01 1.36 0.20 0.77 -2.23 0.00 0.00 178.31 178.42 2k0f h SER 13 N 0.32 0.00 0.24 0.41 0.02 -1.15 -1.70 113.55 111.68 2k0f h SER 13 Ca -0.13 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 2k0f h SER 13 Cb 1.74 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.26 2k0f h SER 13 CO 0.20 0.00 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.50 2k0f h LEU 14 N 0.00 0.14 0.00 5.07 3.38 -1.67 -3.33 115.31 118.90 2k0f h LEU 14 Ca 0.10 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2k0f h LEU 14 Cb 0.50 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2k0f h LEU 14 CO -0.00 0.47 -0.65 0.49 0.09 0.00 0.00 178.44 178.84 2k0f n PHE 15 N -4.12 0.84 -2.18 1.13 3.01 -0.71 -4.59 117.46 110.84 2k0f n PHE 15 Ca -0.01 0.36 -0.31 0.00 1.01 0.00 0.00 57.45 58.50 2k0f n PHE 15 Cb 0.40 -0.78 -0.04 0.00 -0.01 0.00 0.00 39.48 39.04 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2k0f s ASP 16 N -5.87 5.48 0.00 4.37 2.15 -0.76 -4.70 116.67 117.34 2k0f s ASP 16 Ca -0.18 -0.81 0.29 0.00 0.43 0.00 0.00 52.55 52.29 2k0f s ASP 16 Cb 0.03 -2.56 1.49 0.00 -0.30 0.00 0.00 42.92 41.58 2k0f s ASP 16 CO 0.28 -2.42 2.02 0.29 -0.17 0.00 0.00 175.17 175.16 2k0f n LYS 17 N 8.89 0.45 0.00 4.34 5.02 -1.26 -4.41 118.16 131.19 2k0f n LYS 17 Ca 0.37 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 2k0f n LYS 17 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2k0f n ASP 18 N -1.26 0.00 0.00 4.39 5.68 -1.26 -5.07 116.55 119.02 2k0f n ASP 18 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 2k0f n ASP 18 Cb 0.22 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 19 N 2.97 0.00 0.11 6.12 0.00 -1.26 -5.03 105.19 108.10 2k0f n GLY 19 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.00 0.00 1.61 3.04 -1.98 -3.47 116.42 115.63 2k0f h ASP 20 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 20 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 20 CO 0.00 0.73 0.00 0.61 -2.04 0.00 0.00 179.24 178.54 2k0f n GLY 21 N 0.92 1.68 2.64 7.15 0.00 -1.26 -5.09 105.19 111.23 2k0f n GLY 21 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.21 -0.29 2.61 -4.23 -1.26 -3.39 115.64 106.87 2k0f s THR 22 Ca 0.00 -0.54 -0.29 0.00 -1.18 0.00 0.00 61.69 59.68 2k0f s THR 22 Cb 0.00 -0.91 -0.00 0.00 1.34 0.00 0.00 72.50 72.93 2k0f s THR 22 CO 0.00 -0.54 1.39 -0.63 -0.54 0.00 0.00 174.62 174.29 2k0f s ILE 23 N 2.21 4.02 0.56 2.99 1.01 -0.63 -4.89 121.20 126.47 2k0f s ILE 23 Ca 0.08 1.14 0.02 0.00 0.00 0.00 0.00 60.65 61.89 2k0f s ILE 23 Cb -0.15 -4.05 0.04 0.00 0.01 0.00 0.00 42.46 38.30 2k0f s ILE 23 CO -0.30 -0.46 0.78 0.42 0.00 0.00 0.00 174.94 175.38 2k0f s THR 24 N 4.66 2.63 0.17 2.92 -4.23 -1.26 -3.36 115.64 117.18 2k0f s THR 24 Ca 0.60 -0.69 0.30 0.00 -1.18 0.00 0.00 61.69 60.71 2k0f s THR 24 Cb -0.18 -2.94 0.32 0.00 1.34 0.00 0.00 72.50 71.04 2k0f s THR 24 CO 0.25 0.00 1.95 0.71 -0.54 0.00 0.00 174.62 176.99 2k0f h THR 25 N 0.07 0.29 0.13 3.99 1.35 -1.94 -0.07 112.91 116.73 2k0f h THR 25 Ca -0.41 -0.73 -0.01 0.00 -0.55 0.00 0.00 66.41 64.71 2k0f h THR 25 Cb 1.29 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 2k0f h THR 25 CO 0.50 0.10 -0.06 0.11 -0.25 0.00 0.00 175.52 175.92 2k0f h LYS 26 N 0.00 -0.17 0.24 4.72 1.79 -1.97 0.45 116.57 121.64 2k0f h LYS 26 Ca -0.00 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2k0f h LYS 26 Cb 0.56 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2k0f h LYS 26 CO 0.01 0.05 -0.14 0.93 -1.08 0.00 0.00 179.45 179.22 2k0f h GLU 27 N -0.37 -0.35 -0.76 3.15 5.08 -1.80 0.12 114.58 119.64 2k0f h GLU 27 Ca -0.02 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 2k0f h GLU 27 Cb 0.30 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 2k0f h GLU 27 CO 0.03 -0.23 0.41 1.25 -1.00 0.00 0.00 179.01 179.46 2k0f h LEU 28 N -0.36 0.56 -0.58 1.33 5.85 -1.13 -2.28 115.31 118.70 2k0f h LEU 28 Ca -0.03 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2k0f h LEU 28 Cb 0.30 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2k0f h LEU 28 CO 0.03 0.32 0.36 1.23 -0.34 0.00 0.00 178.44 180.04 2k0f h GLY 29 N 0.69 0.84 0.19 3.75 0.00 -0.48 0.15 103.07 108.21 2k0f h GLY 29 Ca 0.37 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.41 2k0f h GLY 29 CO -0.25 0.33 -0.25 -0.84 0.00 0.00 0.00 176.54 175.53 2k0f h THR 30 N 0.79 0.39 0.34 4.70 2.02 -0.55 -2.69 112.91 117.92 2k0f h THR 30 Ca 0.21 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.37 2k0f h THR 30 Cb -0.03 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2k0f h THR 30 CO -0.04 0.00 -0.17 0.58 0.37 0.00 0.00 175.52 176.26 2k0f h VAL 31 N -0.27 0.65 -0.69 3.16 2.07 -0.99 -3.07 116.25 117.10 2k0f h VAL 31 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.71 2k0f h VAL 31 Cb 0.46 0.65 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 2k0f h VAL 31 CO -0.36 0.00 -0.46 0.24 0.02 0.00 0.00 177.57 177.01 2k0f h MET 32 N -0.47 -0.06 -0.78 1.57 2.86 -0.66 -1.71 114.93 115.68 2k0f h MET 32 Ca -0.05 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.69 2k0f h MET 32 Cb 0.37 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 2k0f h MET 32 CO 0.07 -0.04 0.51 -0.09 1.06 0.00 0.00 176.91 178.42 2k0f h ARG 33 N -0.06 0.70 -0.07 1.72 2.43 -1.30 -2.01 114.38 115.78 2k0f h ARG 33 Ca 0.11 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 59.04 2k0f h ARG 33 Cb 0.35 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2k0f h ARG 33 CO -0.68 0.46 -0.77 0.77 -1.51 0.00 0.00 179.97 178.24 2k0f h SER 34 N 0.72 0.55 0.84 -3.80 0.02 -1.22 -3.19 113.55 107.47 2k0f h SER 34 Ca 0.36 -0.37 -0.24 0.00 -0.84 0.00 0.00 61.79 60.70 2k0f h SER 34 Cb 0.43 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2k0f h SER 34 CO -0.13 1.13 -1.13 -0.07 -1.14 0.00 0.00 176.83 175.49 2k0f h LEU 35 N 0.30 0.14 0.00 5.07 3.38 -1.37 -3.47 115.31 119.36 2k0f h LEU 35 Ca -0.04 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2k0f h LEU 35 Cb 1.36 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2k0f h LEU 35 CO 0.14 1.13 0.00 0.61 0.09 0.00 0.00 178.44 180.40 2k0f n GLY 36 N 1.43 0.27 3.25 0.83 0.00 -0.95 -5.13 105.19 104.89 2k0f n GLY 36 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N 0.00 0.37 -0.69 1.61 0.74 -0.80 -4.99 119.66 115.90 2k0f s GLN 37 Ca 0.00 0.76 -0.04 0.00 0.05 0.00 0.00 55.36 56.13 2k0f s GLN 37 Cb 0.00 -0.03 0.18 0.00 1.10 0.00 0.00 33.01 34.26 2k0f s GLN 37 CO 0.00 -0.16 0.53 -0.80 -0.55 0.00 0.00 175.29 174.31 2k0f s ASN 38 N 1.41 5.54 1.07 6.67 0.01 -1.26 -2.78 114.94 125.60 2k0f s ASN 38 Ca -0.09 -2.95 -0.16 0.00 -0.71 0.00 0.00 52.86 48.94 2k0f s ASN 38 Cb -0.09 -1.91 0.23 0.00 0.41 0.00 0.00 41.25 39.89 2k0f s ASN 38 CO -0.12 -0.37 1.13 -2.16 -1.51 0.00 0.00 177.10 174.07 2k0f s PRO 39 N -0.21 -0.19 0.54 -0.60 0.04 -1.26 -5.09 135.00 128.22 2k0f s PRO 39 Ca 0.18 0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.37 2k0f s PRO 39 Cb -0.17 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.69 2k0f s PRO 39 CO -0.05 -3.06 0.26 -0.08 0.04 0.00 0.00 177.00 174.11 2k0f s THR 40 N -3.14 1.43 0.12 1.26 -1.32 -1.26 -4.97 115.64 107.76 2k0f s THR 40 Ca 0.69 -1.68 -0.12 0.00 -1.21 0.00 0.00 61.69 59.36 2k0f s THR 40 Cb -0.12 -2.11 -0.07 0.00 -1.51 0.00 0.00 72.50 68.68 2k0f s THR 40 CO 0.56 0.00 1.44 -0.33 -2.21 0.00 0.00 174.62 174.07 2k0f h GLU 41 N 0.95 0.85 -0.50 7.08 5.08 -1.97 -0.91 114.58 125.16 2k0f h GLU 41 Ca -0.39 -0.47 0.02 0.00 -1.00 0.00 0.00 59.36 57.51 2k0f h GLU 41 Cb 1.31 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 2k0f h GLU 41 CO 0.63 1.11 0.33 0.00 -1.00 0.00 0.00 179.01 180.09 2k0f h ALA 42 N 0.72 1.70 -0.08 3.43 0.00 -1.99 -0.75 119.26 122.30 2k0f h ALA 42 Ca 0.04 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 2k0f h ALA 42 Cb 0.99 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2k0f h ALA 42 CO 0.10 0.26 -0.74 0.93 0.00 0.00 0.00 179.25 179.80 2k0f h GLU 43 N 0.62 0.43 0.00 0.00 5.08 -1.80 -3.11 114.58 115.80 2k0f h GLU 43 Ca 0.19 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 2k0f h GLU 43 Cb 0.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2k0f h GLU 43 CO -0.05 0.99 -0.42 -0.07 -1.00 0.00 0.00 179.01 178.47 2k0f h LEU 44 N 0.29 0.00 -0.54 1.33 3.38 -0.71 -2.92 115.31 116.15 2k0f h LEU 44 Ca -0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 2k0f h LEU 44 Cb 1.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2k0f h LEU 44 CO 0.13 0.42 -0.13 -0.61 0.09 0.00 0.00 178.44 178.33 2k0f h GLN 45 N 0.00 1.04 -0.96 1.13 4.15 -1.14 -2.82 115.11 116.50 2k0f h GLN 45 Ca -0.00 -0.40 0.23 0.00 0.77 0.00 0.00 58.65 59.25 2k0f h GLN 45 Cb 1.23 -0.06 -0.18 0.00 0.21 0.00 0.00 27.48 28.69 2k0f h GLN 45 CO 0.05 1.09 -0.08 -0.44 -1.93 0.00 0.00 178.83 177.52 2k0f h ASP 46 N 0.91 -0.63 0.28 -0.69 3.32 -1.44 0.43 116.42 118.60 2k0f h ASP 46 Ca 0.14 0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.45 2k0f h ASP 46 Cb 0.71 0.52 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2k0f h ASP 46 CO 0.05 -0.32 -0.14 0.24 -1.72 0.00 0.00 179.24 177.35 2k0f h MET 47 N 0.01 -0.37 -0.13 3.56 2.86 -1.55 -3.25 114.93 116.06 2k0f h MET 47 Ca 0.53 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 58.24 2k0f h MET 47 Cb 0.98 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.66 2k0f h MET 47 CO -0.93 -0.20 -0.22 0.82 1.06 0.00 0.00 176.91 177.44 2k0f h ILE 48 N -1.09 0.46 0.00 -1.22 2.04 -1.38 -3.27 117.51 113.06 2k0f h ILE 48 Ca -0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2k0f h ILE 48 Cb 0.33 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2k0f h ILE 48 CO 0.06 0.00 -0.13 0.78 0.00 0.00 0.00 178.15 178.86 2k0f h ASN 49 N -0.27 0.00 -0.19 1.72 4.21 -0.27 -1.33 115.58 119.44 2k0f h ASN 49 Ca 0.10 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.58 2k0f h ASN 49 Cb 0.42 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 2k0f h ASN 49 CO -0.29 0.13 0.00 -0.08 -1.29 0.00 0.00 177.43 175.90 2k0f h GLU 50 N 0.00 0.34 0.00 0.81 4.81 -1.60 -2.76 114.58 116.18 2k0f h GLU 50 Ca -0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 50 Cb 0.52 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2k0f h GLU 50 CO 0.02 0.54 -0.06 1.33 -0.73 0.00 0.00 179.01 180.11 2k0f n VAL 51 N -4.70 0.16 -1.75 0.32 0.24 -0.93 -4.82 118.33 106.84 2k0f n VAL 51 Ca -0.04 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.34 61.75 2k0f n VAL 51 Cb 0.22 -0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 32.11 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -3.43 5.81 -0.10 -1.34 2.15 -0.55 -4.86 116.67 114.35 2k0f s ASP 52 Ca 0.13 1.88 -0.26 0.00 0.43 0.00 0.00 52.55 54.72 2k0f s ASP 52 Cb 0.17 -2.52 -0.27 0.00 -0.30 0.00 0.00 42.92 40.00 2k0f s ASP 52 CO 0.57 -1.68 0.85 0.00 -0.17 0.00 0.00 175.17 174.73 2k0f h ALA 53 N 13.42 -0.02 0.13 3.66 0.00 -1.88 -3.39 119.26 131.18 2k0f h ALA 53 Ca -0.40 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 53.96 2k0f h ALA 53 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2k0f h ALA 53 CO 0.97 0.10 -0.06 0.38 0.00 0.00 0.00 179.25 180.65 2k0f h ASP 54 N -0.76 -0.15 0.00 0.00 3.04 -1.94 -3.49 116.42 113.13 2k0f h ASP 54 Ca -0.04 -0.36 0.00 0.00 -3.24 0.00 0.00 57.03 53.39 2k0f h ASP 54 Cb 1.16 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 2k0f h ASP 54 CO 0.05 0.45 0.00 0.61 -2.04 0.00 0.00 179.24 178.31 2k0f n GLY 55 N 0.92 0.76 0.00 7.15 0.00 -1.26 -5.06 105.19 107.70 2k0f n GLY 55 Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.00 1.61 0.23 -1.26 -4.89 115.26 110.95 2k0f n ASN 56 Ca 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 2k0f n ASN 56 Cb 0.00 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.35 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 1.18 0.69 3.06 4.83 0.00 -1.26 -5.03 105.19 108.65 2k0f n GLY 57 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.55 1.06 -0.30 2.61 -4.23 -1.26 -4.84 115.64 106.12 2k0f s THR 58 Ca 0.00 -0.51 -0.28 0.00 -1.18 0.00 0.00 61.69 59.71 2k0f s THR 58 Cb 0.00 -0.92 0.01 0.00 1.34 0.00 0.00 72.50 72.93 2k0f s THR 58 CO 0.00 0.32 1.03 -0.51 -0.54 0.00 0.00 174.62 174.92 2k0f s ILE 59 N 0.12 4.58 0.75 2.99 2.07 -1.21 -4.86 121.20 125.63 2k0f s ILE 59 Ca -0.03 1.73 -0.04 0.00 -1.41 0.00 0.00 60.65 60.90 2k0f s ILE 59 Cb -0.10 -4.36 0.13 0.00 0.13 0.00 0.00 42.46 38.26 2k0f s ILE 59 CO 0.01 -0.39 1.04 -1.81 -1.91 0.00 0.00 174.94 171.89 2k0f s ASP 60 N 1.55 4.23 -0.01 4.50 1.11 -1.26 -1.60 116.67 125.18 2k0f s ASP 60 Ca 0.43 -0.13 -0.24 0.00 0.18 0.00 0.00 52.55 52.79 2k0f s ASP 60 Cb -0.13 -0.25 -0.17 0.00 1.07 0.00 0.00 42.92 43.45 2k0f s ASP 60 CO 0.13 -1.95 1.14 0.15 1.18 0.00 0.00 175.17 175.82 2k0f h PHE 61 N -0.70 -0.26 -1.19 4.23 3.57 -1.95 -0.60 116.94 120.03 2k0f h PHE 61 Ca -0.39 -0.01 0.35 0.00 3.53 0.00 0.00 57.97 61.45 2k0f h PHE 61 Cb 1.27 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 40.05 2k0f h PHE 61 CO -0.28 0.12 0.91 -1.35 -2.23 0.00 0.00 178.31 175.48 2k0f h PRO 62 N -0.73 0.00 0.14 6.41 0.11 -1.96 -1.14 132.00 134.83 2k0f h PRO 62 Ca -0.03 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.74 2k0f h PRO 62 Cb 0.50 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 2k0f h PRO 62 CO 0.05 0.00 -1.79 0.93 -0.21 0.00 0.00 178.00 176.98 2k0f h GLU 63 N 0.00 0.29 -0.55 1.05 5.08 -1.77 0.87 114.58 119.55 2k0f h GLU 63 Ca 0.57 -0.50 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 2k0f h GLU 63 Cb 2.38 0.19 -0.10 0.00 0.50 0.00 0.00 28.75 31.71 2k0f h GLU 63 CO -0.01 1.18 -0.43 0.35 -1.00 0.00 0.00 179.01 179.10 2k0f h PHE 64 N 0.08 -1.27 -0.04 4.33 3.57 -0.98 -0.84 116.94 121.79 2k0f h PHE 64 Ca -0.35 0.08 -0.11 0.00 3.53 0.00 0.00 57.97 61.12 2k0f h PHE 64 Cb 2.06 0.63 -0.01 0.00 2.79 0.00 0.00 35.95 41.41 2k0f h PHE 64 CO 0.08 -0.42 -0.49 1.25 -2.23 0.00 0.00 178.31 176.50 2k0f h LEU 65 N -0.24 0.11 -0.67 0.59 6.46 -1.18 -1.64 115.31 118.74 2k0f h LEU 65 Ca 0.17 -0.05 -0.11 0.00 -0.12 0.00 0.00 57.88 57.77 2k0f h LEU 65 Cb 0.57 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 2k0f h LEU 65 CO -0.67 0.58 -0.17 0.74 -0.62 0.00 0.00 178.44 178.31 2k0f h THR 66 N 0.08 1.27 0.86 1.05 2.02 -0.70 -0.38 112.91 117.10 2k0f h THR 66 Ca 0.00 -1.28 -0.04 0.00 0.77 0.00 0.00 66.41 65.86 2k0f h THR 66 Cb 0.89 1.10 0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2k0f h THR 66 CO 0.07 0.44 -0.41 -0.03 0.37 0.00 0.00 175.52 175.95 2k0f h MET 67 N 0.76 -1.11 -0.22 6.66 1.85 -1.01 -3.07 114.93 118.80 2k0f h MET 67 Ca 0.11 0.08 -0.10 0.00 -0.61 0.00 0.00 59.70 59.18 2k0f h MET 67 Cb 0.69 0.25 -0.01 0.00 0.43 0.00 0.00 31.60 32.96 2k0f h MET 67 CO 0.05 -0.74 -0.30 0.52 -0.40 0.00 0.00 176.91 176.05 2k0f h MET 68 N -1.19 0.43 0.00 0.39 2.07 -1.34 -3.14 114.93 112.15 2k0f h MET 68 Ca -0.12 -0.17 0.00 0.00 -2.07 0.00 0.00 59.70 57.34 2k0f h MET 68 Cb 0.89 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.60 2k0f h MET 68 CO 0.19 0.69 -0.12 0.00 1.07 0.00 0.00 176.91 178.74 2k0f n ALA 69 N -2.49 2.48 -1.70 6.32 0.00 -0.15 -4.84 120.51 120.13 2k0f n ALA 69 Ca -0.01 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 2k0f n ALA 69 Cb 0.43 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -3.07 4.14 -0.12 0.00 3.52 -1.16 -4.96 118.95 117.30 2k0f s ARG 70 Ca 0.11 2.59 -0.29 0.00 -0.13 0.00 0.00 55.73 58.02 2k0f s ARG 70 Cb 0.15 -3.92 -0.01 0.00 -1.56 0.00 0.00 34.95 29.61 2k0f s ARG 70 CO 0.60 -0.90 0.99 0.21 -0.81 0.00 0.00 175.30 175.38 2k0f s LYS 71 N 3.72 4.40 0.48 5.12 2.20 -1.26 -5.03 119.74 129.37 2k0f s LYS 71 Ca 0.85 1.34 0.07 0.00 -0.36 0.00 0.00 55.97 57.87 2k0f s LYS 71 Cb -0.44 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.36 2k0f s LYS 71 CO 0.39 -0.34 0.66 0.00 -0.36 0.00 0.00 175.35 175.70 2k0f s MET 72 N 2.10 2.64 0.00 4.03 0.23 -1.26 -5.13 119.30 121.91 2k0f s MET 72 Ca 0.47 -1.28 0.00 0.00 -1.03 0.00 0.00 55.69 53.85 2k0f s MET 72 Cb -0.18 -2.69 0.00 0.00 -1.53 0.00 0.00 34.83 30.43 2k0f s MET 72 CO 0.16 -0.50 0.00 0.36 -2.03 0.00 0.00 175.02 173.02 2k0f n LYS 73 N -2.03 1.75 0.12 3.16 2.85 -1.26 -4.90 118.16 117.84 2k0f n LYS 73 Ca 0.10 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.24 2k0f n LYS 73 Cb 0.60 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.91 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 0.00 -1.05 1.21 -5.58 5.19 -2.00 -1.99 116.42 112.19 2k0f h ASP 74 Ca 0.00 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 2k0f h ASP 74 Cb 0.00 0.38 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 2k0f h ASP 74 CO 0.00 -0.41 -0.13 0.71 -3.12 0.00 0.00 179.24 176.28 2k0f h THR 75 N -0.59 0.30 0.16 0.35 1.35 -1.98 -0.79 112.91 111.71 2k0f h THR 75 Ca -0.02 -0.99 -0.30 0.00 -0.55 0.00 0.00 66.41 64.55 2k0f h THR 75 Cb 0.55 1.78 0.01 0.00 -1.73 0.00 0.00 68.15 68.77 2k0f h THR 75 CO -0.14 0.13 -1.36 0.44 -0.25 0.00 0.00 175.52 174.34 2k0f h ASP 76 N 0.00 0.54 0.48 5.36 3.32 -1.98 -1.49 116.42 122.65 2k0f h ASP 76 Ca -0.00 -0.60 -0.01 0.00 0.02 0.00 0.00 57.03 56.44 2k0f h ASP 76 Cb 0.77 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2k0f h ASP 76 CO 0.02 1.48 -0.41 -1.28 -1.72 0.00 0.00 179.24 177.32 2k0f h SER 77 N 0.09 -1.11 -0.54 6.45 0.87 -1.27 -1.98 113.55 116.06 2k0f h SER 77 Ca -0.19 0.09 0.09 0.00 -1.23 0.00 0.00 61.79 60.55 2k0f h SER 77 Cb 2.04 0.36 -0.07 0.00 -0.44 0.00 0.00 62.40 64.28 2k0f h SER 77 CO 0.22 -0.59 0.13 -0.08 -0.53 0.00 0.00 176.83 175.98 2k0f h GLU 78 N -0.89 0.27 0.18 2.24 4.57 -1.18 -1.93 114.58 117.84 2k0f h GLU 78 Ca -0.05 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2k0f h GLU 78 Cb 0.77 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2k0f h GLU 78 CO -0.03 0.18 -0.09 1.49 -1.18 0.00 0.00 179.01 179.38 2k0f h GLU 79 N 0.28 -0.23 0.65 1.92 4.57 -1.31 -3.19 114.58 117.26 2k0f h GLU 79 Ca 0.27 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.44 2k0f h GLU 79 Cb 0.37 0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2k0f h GLU 79 CO -0.34 -0.06 -0.31 1.49 -1.18 0.00 0.00 179.01 178.62 2k0f h GLU 80 N -0.36 -0.84 0.00 1.92 4.81 -0.63 -1.70 114.58 117.78 2k0f h GLU 80 Ca -0.02 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 80 Cb 0.28 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2k0f h GLU 80 CO 0.04 -0.52 0.00 0.97 -0.73 0.00 0.00 179.01 178.77 2k0f h ILE 81 N -1.06 0.00 -0.09 2.32 6.09 -1.52 -1.27 117.51 121.97 2k0f h ILE 81 Ca -0.09 -0.40 -0.23 0.00 -1.37 0.00 0.00 64.86 62.77 2k0f h ILE 81 Cb 0.71 1.27 0.01 0.00 0.47 0.00 0.00 36.82 39.27 2k0f h ILE 81 CO 0.15 0.00 -0.85 0.03 -3.07 0.00 0.00 178.15 174.41 2k0f h ARG 82 N 0.00 0.68 -0.48 2.19 3.08 -1.52 -2.03 114.38 116.31 2k0f h ARG 82 Ca 0.00 -0.61 -0.06 0.00 0.07 0.00 0.00 59.98 59.39 2k0f h ARG 82 Cb 0.54 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 2k0f h ARG 82 CO 0.00 1.21 0.07 1.49 -1.07 0.00 0.00 179.97 181.67 2k0f h GLU 83 N 0.44 0.75 -0.56 0.04 4.57 -0.58 -3.03 114.58 116.19 2k0f h GLU 83 Ca -0.07 -0.17 -0.09 0.00 -1.18 0.00 0.00 59.36 57.86 2k0f h GLU 83 Cb 1.48 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.94 2k0f h GLU 83 CO 0.17 0.71 0.02 0.00 -1.18 0.00 0.00 179.01 178.73 2k0f h ALA 84 N 1.36 0.76 -0.37 2.92 0.00 -1.26 -2.90 119.26 119.77 2k0f h ALA 84 Ca 0.15 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2k0f h ALA 84 Cb 0.34 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2k0f h ALA 84 CO 0.01 0.57 0.06 0.35 0.00 0.00 0.00 179.25 180.24 2k0f h PHE 85 N 0.87 0.09 -0.08 0.00 3.04 -1.25 -2.89 116.94 116.73 2k0f h PHE 85 Ca 0.16 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.14 2k0f h PHE 85 Cb 0.52 0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.05 2k0f h PHE 85 CO 0.04 -0.01 0.00 2.89 -2.02 0.00 0.00 178.31 179.21 2k0f n ARG 86 N -5.12 1.36 -0.01 1.11 1.85 -1.11 -1.83 116.66 112.92 2k0f n ARG 86 Ca 0.02 -0.54 -0.03 0.00 -1.00 0.00 0.00 57.85 56.31 2k0f n ARG 86 Cb 0.17 -1.35 0.22 0.00 -1.05 0.00 0.00 32.46 30.45 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2k0f h VAL 87 N 1.09 1.25 0.00 8.89 2.07 -1.35 -3.36 116.25 124.84 2k0f h VAL 87 Ca 0.00 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2k0f h VAL 87 Cb 0.24 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2k0f h VAL 87 CO 0.00 0.37 -0.01 -0.26 0.02 0.00 0.00 177.57 177.68 2k0f h PHE 88 N 0.49 0.00 -1.42 1.57 -1.00 -1.50 -3.44 116.94 111.64 2k0f h PHE 88 Ca 0.08 0.00 -0.45 0.00 2.81 0.00 0.00 57.97 60.42 2k0f h PHE 88 Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.12 2k0f h PHE 88 CO 0.02 0.00 1.59 -3.47 -1.61 0.00 0.00 178.31 174.84 2k0f n ASP 89 N -3.60 2.12 0.01 2.17 2.03 -0.99 -4.74 116.55 113.54 2k0f n ASP 89 Ca -0.00 -0.50 0.03 0.00 0.52 0.00 0.00 54.79 54.85 2k0f n ASP 89 Cb 0.01 -1.53 -0.11 0.00 -0.72 0.00 0.00 41.12 38.77 2k0f n ASP 89 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2k0f n LYS 90 N 8.95 0.64 0.02 -0.67 3.00 -1.26 -4.32 118.16 124.52 2k0f n LYS 90 Ca 0.40 0.04 -0.10 0.00 -0.00 0.00 0.00 58.31 58.66 2k0f n LYS 90 Cb 0.50 -1.68 -0.07 0.00 0.00 0.00 0.00 35.03 33.78 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2k0f h ASP 91 N 0.00 -0.13 0.00 3.14 3.04 -1.95 -3.49 116.42 117.03 2k0f h ASP 91 Ca -0.16 -0.41 0.00 0.00 -3.24 0.00 0.00 57.03 53.22 2k0f h ASP 91 Cb 1.43 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.76 2k0f h ASP 91 CO 0.02 0.50 0.00 0.61 -2.04 0.00 0.00 179.24 178.33 2k0f n GLY 92 N 0.94 0.28 0.20 7.15 0.00 -1.26 -5.07 105.19 107.43 2k0f n GLY 92 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.07 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 -1.07 -1.95 -3.47 115.58 110.70 2k0f h ASN 93 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 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 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k0f n GLY 94 N 1.13 1.51 2.86 9.14 0.00 -1.26 -5.08 105.19 113.49 2k0f n GLY 94 Ca 0.04 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 -0.02 -0.48 1.61 2.02 -1.26 -4.40 117.35 112.82 2k0f s TYR 95 Ca 0.00 0.13 -0.19 0.00 -0.37 0.00 0.00 57.07 56.64 2k0f s TYR 95 Cb 0.00 -0.08 0.05 0.00 -0.40 0.00 0.00 41.96 41.53 2k0f s TYR 95 CO 0.00 -0.05 0.57 0.42 -1.57 0.00 0.00 175.55 174.92 2k0f s ILE 96 N 0.47 4.94 0.81 2.71 1.01 0.36 -4.77 121.20 126.73 2k0f s ILE 96 Ca -0.04 -0.43 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 2k0f s ILE 96 Cb -0.05 -4.22 0.14 0.00 0.01 0.00 0.00 42.46 38.34 2k0f s ILE 96 CO -0.01 -0.68 1.13 -0.55 0.00 0.00 0.00 174.94 174.83 2k0f s SER 97 N 2.41 3.96 0.25 3.58 0.15 -1.26 -3.01 113.70 119.77 2k0f s SER 97 Ca 0.14 0.07 -0.02 0.00 0.70 0.00 0.00 55.95 56.84 2k0f s SER 97 Cb -0.18 -0.37 0.30 0.00 -1.71 0.00 0.00 66.02 64.06 2k0f s SER 97 CO 0.13 -2.15 1.73 0.00 1.20 0.00 0.00 173.24 174.14 2k0f h ALA 98 N -0.99 1.05 0.13 5.45 0.00 -1.97 -0.92 119.26 122.01 2k0f h ALA 98 Ca -0.41 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 2k0f h ALA 98 Cb 1.26 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2k0f h ALA 98 CO 0.44 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 180.21 2k0f h ALA 99 N 1.22 -0.17 -0.25 0.00 0.00 -1.99 -2.31 119.26 115.76 2k0f h ALA 99 Ca 0.13 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2k0f h ALA 99 Cb 0.52 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2k0f h ALA 99 CO 0.03 -0.52 -0.35 0.93 0.00 0.00 0.00 179.25 179.35 2k0f h GLU 100 N -0.34 0.53 0.39 0.00 5.08 -1.82 -2.28 114.58 116.15 2k0f h GLU 100 Ca -0.02 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2k0f h GLU 100 Cb 0.27 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2k0f h GLU 100 CO 0.03 0.81 -0.25 1.25 -1.00 0.00 0.00 179.01 179.85 2k0f h LEU 101 N 0.45 -0.62 -0.22 1.33 5.85 -1.14 -3.31 115.31 117.65 2k0f h LEU 101 Ca 0.05 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2k0f h LEU 101 Cb 0.82 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2k0f h LEU 101 CO 0.07 -0.39 0.12 -0.09 -0.34 0.00 0.00 178.44 177.81 2k0f h ARG 102 N -0.62 0.24 -0.84 1.25 2.43 -0.99 -2.95 114.38 112.91 2k0f h ARG 102 Ca -0.04 -0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.28 2k0f h ARG 102 Cb 0.51 -0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 29.90 2k0f h ARG 102 CO 0.04 0.16 0.39 0.45 -1.51 0.00 0.00 179.97 179.50 2k0f h HIS 103 N 0.25 0.66 -0.18 2.20 3.86 -1.57 -2.33 115.15 118.04 2k0f h HIS 103 Ca 0.09 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 2k0f h HIS 103 Cb 0.01 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 2k0f h HIS 103 CO -0.08 0.07 -0.02 0.28 0.86 0.00 0.00 177.93 179.04 2k0f h VAL 104 N 0.50 1.27 0.00 2.45 2.07 -1.60 -2.64 116.25 118.30 2k0f h VAL 104 Ca 0.48 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 2k0f h VAL 104 Cb 0.78 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2k0f h VAL 104 CO -0.43 0.28 -0.24 0.24 0.02 0.00 0.00 177.57 177.43 2k0f h MET 105 N 0.06 0.00 0.07 1.57 2.07 -1.50 -1.28 114.93 115.92 2k0f h MET 105 Ca 0.05 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.68 2k0f h MET 105 Cb 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.15 2k0f h MET 105 CO 0.01 0.24 -0.03 1.15 1.07 0.00 0.00 176.91 179.35 2k0f h THR 106 N 0.00 1.19 0.00 2.22 2.02 -1.47 0.03 112.91 116.90 2k0f h THR 106 Ca -0.00 -0.96 -0.03 0.00 0.77 0.00 0.00 66.41 66.19 2k0f h THR 106 Cb 0.45 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.66 2k0f h THR 106 CO 0.03 0.24 -0.16 0.78 0.37 0.00 0.00 175.52 176.78 2k0f h ASN 107 N -0.53 0.00 0.09 4.18 2.35 -0.99 -3.11 115.58 117.57 2k0f h ASN 107 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2k0f h ASN 107 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2k0f h ASN 107 CO 0.02 0.16 -0.04 -0.07 -1.65 0.00 0.00 177.43 175.84 2k0f h LEU 108 N 0.00 -0.10 0.00 1.61 3.38 -1.23 -3.45 115.31 115.53 2k0f h LEU 108 Ca -0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2k0f h LEU 108 Cb 0.34 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2k0f h LEU 108 CO 0.02 0.56 0.00 0.61 0.09 0.00 0.00 178.44 179.72 2k0f n GLY 109 N 0.96 0.00 3.34 0.83 0.00 -0.55 -4.64 105.19 105.12 2k0f n GLY 109 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N 0.00 1.46 -0.54 1.61 2.56 -0.11 -4.91 118.70 118.77 2k0f s GLU 110 Ca 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 54.97 53.72 2k0f s GLU 110 Cb 0.00 -1.77 0.14 0.00 2.00 0.00 0.00 34.13 34.50 2k0f s GLU 110 CO 0.00 0.43 0.40 0.15 -0.56 0.00 0.00 175.26 175.68 2k0f s LYS 111 N -1.66 2.56 0.19 4.30 1.02 -1.26 -4.16 119.74 120.73 2k0f s LYS 111 Ca 0.11 -2.05 -0.27 0.00 0.02 0.00 0.00 55.97 53.78 2k0f s LYS 111 Cb -0.10 -3.89 -0.08 0.00 -0.52 0.00 0.00 37.83 33.24 2k0f s LYS 111 CO 0.04 -1.18 0.84 -0.51 -0.92 0.00 0.00 175.35 173.61 2k0f s LEU 112 N 0.83 4.61 0.80 3.17 1.43 -1.26 -5.08 118.68 123.18 2k0f s LEU 112 Ca 0.10 1.76 -0.11 0.00 -1.03 0.00 0.00 54.13 54.86 2k0f s LEU 112 Cb -0.22 -3.41 0.10 0.00 0.03 0.00 0.00 46.19 42.68 2k0f s LEU 112 CO -0.03 0.19 1.15 0.42 0.23 0.00 0.00 176.35 178.30 2k0f s THR 113 N -1.14 2.09 0.08 5.49 -4.23 -1.26 -4.98 115.64 111.69 2k0f s THR 113 Ca 0.38 -0.11 -0.19 0.00 -1.18 0.00 0.00 61.69 60.58 2k0f s THR 113 Cb -0.24 -2.98 -0.09 0.00 1.34 0.00 0.00 72.50 70.53 2k0f s THR 113 CO 0.28 0.00 1.52 0.44 -0.54 0.00 0.00 174.62 176.33 2k0f h ASP 114 N -1.00 0.38 -0.53 3.99 5.19 -2.00 -3.02 116.42 119.43 2k0f h ASP 114 Ca -0.45 -0.29 0.10 0.00 -0.62 0.00 0.00 57.03 55.77 2k0f h ASP 114 Cb 1.30 -0.10 -0.08 0.00 0.18 0.00 0.00 39.33 40.63 2k0f h ASP 114 CO 0.58 0.58 0.07 -0.08 -3.12 0.00 0.00 179.24 177.26 2k0f h GLU 115 N 0.16 0.19 -0.65 3.56 4.81 -1.98 -2.31 114.58 118.36 2k0f h GLU 115 Ca 0.06 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 115 Cb 0.38 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 2k0f h GLU 115 CO 0.01 0.12 0.12 0.93 -0.73 0.00 0.00 179.01 179.46 2k0f h GLU 116 N 0.19 1.05 -0.00 1.92 5.08 -1.92 -1.39 114.58 119.51 2k0f h GLU 116 Ca 0.27 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2k0f h GLU 116 Cb 0.40 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 116 CO -0.39 0.95 -0.06 0.28 -1.00 0.00 0.00 179.01 178.79 2k0f h VAL 117 N 0.99 0.83 -0.52 3.13 2.07 -1.46 -2.27 116.25 119.02 2k0f h VAL 117 Ca 0.20 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2k0f h VAL 117 Cb 0.40 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2k0f h VAL 117 CO 0.01 0.00 0.33 -0.78 0.02 0.00 0.00 177.57 177.14 2k0f h ASP 118 N -0.11 0.62 0.04 0.57 3.58 -1.21 -1.23 116.42 118.67 2k0f h ASP 118 Ca 0.03 -0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.32 2k0f h ASP 118 Cb 0.14 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2k0f h ASP 118 CO -0.07 0.47 -0.35 -0.08 -2.88 0.00 0.00 179.24 176.33 2k0f h GLU 119 N 0.70 0.43 0.30 0.28 4.57 -1.29 -2.71 114.58 116.86 2k0f h GLU 119 Ca 0.19 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2k0f h GLU 119 Cb -0.04 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2k0f h GLU 119 CO -0.04 0.73 -0.14 0.52 -1.18 0.00 0.00 179.01 178.90 2k0f h MET 120 N 0.37 -0.38 -0.71 1.92 2.86 -1.02 -0.61 114.93 117.35 2k0f h MET 120 Ca 0.04 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.81 2k0f h MET 120 Cb 0.79 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.46 2k0f h MET 120 CO 0.06 -0.14 0.34 0.82 1.06 0.00 0.00 176.91 179.05 2k0f h ILE 121 N -0.57 0.81 0.09 -1.22 1.08 -1.20 -1.61 117.51 114.89 2k0f h ILE 121 Ca -0.04 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 2k0f h ILE 121 Cb 0.42 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 34.36 2k0f h ILE 121 CO 0.07 0.10 -0.08 -0.09 -0.69 0.00 0.00 178.15 177.46 2k0f h ARG 122 N 0.57 -0.16 -0.33 2.37 2.43 -1.38 -2.91 114.38 114.96 2k0f h ARG 122 Ca 0.36 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.64 2k0f h ARG 122 Cb 0.42 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2k0f h ARG 122 CO -0.29 -0.11 0.34 1.05 -1.51 0.00 0.00 179.97 179.45 2k0f h GLU 123 N -0.17 0.00 0.20 0.20 4.11 -1.12 -3.05 114.58 114.75 2k0f h GLU 123 Ca -0.01 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.10 2k0f h GLU 123 Cb 0.14 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.41 2k0f h GLU 123 CO -0.01 0.00 -1.50 0.00 0.07 0.00 0.00 179.01 177.58 2k0f h ALA 124 N 1.63 0.02 -2.64 1.06 0.00 -1.21 -3.47 119.26 114.66 2k0f h ALA 124 Ca 0.16 -0.96 -0.49 0.00 0.00 0.00 0.00 54.91 53.62 2k0f h ALA 124 Cb 0.84 0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.86 2k0f h ALA 124 CO -0.00 0.89 0.43 0.34 0.00 0.00 0.00 179.25 180.91 2k0f s ASP 125 N -7.35 6.98 -0.19 0.00 2.15 -1.11 -5.00 116.67 112.17 2k0f s ASP 125 Ca -0.09 2.13 -0.15 0.00 0.43 0.00 0.00 52.55 54.86 2k0f s ASP 125 Cb 0.05 -2.60 -0.07 0.00 -0.30 0.00 0.00 42.92 40.00 2k0f s ASP 125 CO 0.90 -0.34 -0.24 -0.38 -0.17 0.00 0.00 175.17 174.95 2k0f n ILE 126 N 0.48 1.48 -0.08 4.11 5.41 -1.26 -4.76 119.36 124.74 2k0f n ILE 126 Ca 0.02 0.06 -0.12 0.00 1.00 0.00 0.00 62.75 63.72 2k0f n ILE 126 Cb 0.48 -2.26 0.01 0.00 -0.71 0.00 0.00 39.64 37.16 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 -1.00 0.88 0.00 4.38 3.04 -1.97 -3.48 116.42 118.28 2k0f h ASP 127 Ca -0.15 -0.42 0.00 0.00 -3.24 0.00 0.00 57.03 53.22 2k0f h ASP 127 Cb 0.98 -0.25 0.00 0.00 -1.04 0.00 0.00 39.33 39.02 2k0f h ASP 127 CO -0.09 1.18 0.00 0.61 -2.04 0.00 0.00 179.24 178.90 2k0f n GLY 128 N 0.15 0.95 0.72 7.15 0.00 -1.26 -5.05 105.19 107.85 2k0f n GLY 128 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 0.74 0.00 1.61 5.68 -1.26 -5.05 116.55 118.27 2k0f n ASP 129 Ca 0.00 0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 2k0f n ASP 129 Cb 0.00 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 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 2.49 1.66 2.72 6.12 0.00 -1.26 -5.09 105.19 111.83 2k0f n GLY 130 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.38 0.31 0.05 1.61 -0.21 -1.26 -4.58 119.66 115.19 2k0f s GLN 131 Ca 0.00 0.17 -0.25 0.00 0.02 0.00 0.00 55.36 55.30 2k0f s GLN 131 Cb 0.00 -0.92 -0.06 0.00 1.00 0.00 0.00 33.01 33.03 2k0f s GLN 131 CO 0.00 -0.36 0.77 0.14 -2.12 0.00 0.00 175.29 173.72 2k0f s VAL 132 N 2.05 4.71 0.30 1.09 -7.23 -1.16 -4.66 120.40 115.50 2k0f s VAL 132 Ca 0.04 1.64 0.01 0.00 -1.81 0.00 0.00 61.98 61.86 2k0f s VAL 132 Cb -0.13 -4.12 0.06 0.00 0.56 0.00 0.00 36.38 32.75 2k0f s VAL 132 CO -0.05 0.37 0.41 -0.46 -0.31 0.00 0.00 175.10 175.06 2k0f n ASN 133 N 2.77 0.64 -0.13 4.85 0.23 -1.26 -0.49 115.26 121.87 2k0f n ASN 133 Ca -0.02 -1.52 -0.04 0.00 -0.53 0.00 0.00 54.58 52.47 2k0f n ASN 133 Cb 0.50 -0.26 0.04 0.00 -2.08 0.00 0.00 39.78 37.98 2k0f n ASN 133 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 2k0f h TYR 134 N -0.38 0.13 0.00 -2.53 0.05 -1.98 -1.81 116.97 110.45 2k0f h TYR 134 Ca -0.14 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.60 2k0f h TYR 134 Cb 0.53 0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 2k0f h TYR 134 CO 0.00 0.00 -0.34 0.93 -1.05 0.00 0.00 178.16 177.71 2k0f h GLU 135 N 0.21 0.00 -0.48 4.88 4.39 -1.98 -2.70 114.58 118.90 2k0f h GLU 135 Ca 0.21 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.79 2k0f h GLU 135 Cb 0.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2k0f h GLU 135 CO -0.28 0.34 -0.17 0.93 -1.16 0.00 0.00 179.01 178.67 2k0f h GLU 136 N 0.00 0.96 0.32 2.33 5.08 -1.91 -3.32 114.58 118.05 2k0f h GLU 136 Ca -0.00 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 2k0f h GLU 136 Cb 0.91 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2k0f h GLU 136 CO 0.04 1.06 -0.15 0.35 -1.00 0.00 0.00 179.01 179.31 2k0f h PHE 137 N 0.81 -0.40 0.00 4.33 3.57 -1.02 -3.20 116.94 121.02 2k0f h PHE 137 Ca 0.11 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 2k0f h PHE 137 Cb 0.74 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2k0f h PHE 137 CO 0.05 -0.25 -0.32 -0.24 -2.23 0.00 0.00 178.31 175.32 2k0f h VAL 138 N -0.78 1.03 -0.44 1.41 3.04 -1.70 -1.56 116.25 117.25 2k0f h VAL 138 Ca -0.04 -1.18 -0.12 0.00 -1.01 0.00 0.00 66.70 64.34 2k0f h VAL 138 Cb 0.33 1.67 -0.01 0.00 -2.01 0.00 0.00 31.29 31.27 2k0f h VAL 138 CO 0.07 0.31 -0.20 -0.61 -1.01 0.00 0.00 177.57 176.14 2k0f h GLN 139 N 0.00 0.89 0.81 4.17 -0.00 -1.70 -2.72 115.11 116.55 2k0f h GLN 139 Ca -0.00 -0.36 -0.04 0.00 -0.00 0.00 0.00 58.65 58.25 2k0f h GLN 139 Cb 0.65 -0.04 0.01 0.00 0.00 0.00 0.00 27.48 28.10 2k0f h GLN 139 CO 0.04 1.01 -0.39 1.98 0.00 0.00 0.00 178.83 181.47 2k0f h MET 140 N 0.77 -1.05 -0.24 1.69 4.05 -1.43 -3.35 114.93 115.37 2k0f h MET 140 Ca 0.11 0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 2k0f h MET 140 Cb 0.74 0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.77 2k0f h MET 140 CO 0.06 -0.70 0.07 0.52 0.23 0.00 0.00 176.91 177.09 2k0f h MET 141 N -1.21 0.34 -0.01 0.39 2.86 -1.35 -3.52 114.93 112.43 2k0f h MET 141 Ca -0.11 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2k0f h MET 141 Cb 0.84 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2k0f h MET 141 CO 0.18 0.31 0.00 2.41 1.06 0.00 0.00 176.91 180.88