#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 0.57 -0.00 -0.78 4.81 -2.04 -0.15 114.58 116.98 2k0f h GLU 2 Ca 0.00 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 2k0f h GLU 2 Cb 0.00 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2k0f h GLU 2 CO 0.00 0.37 -0.76 0.93 -0.73 0.00 0.00 179.01 178.82 2k0f h GLU 3 N 0.58 0.04 0.12 1.92 5.08 -2.04 0.12 114.58 120.40 2k0f h GLU 3 Ca 0.56 -0.04 -0.27 0.00 -1.00 0.00 0.00 59.36 58.62 2k0f h GLU 3 Cb 1.12 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2k0f h GLU 3 CO -0.31 0.78 -1.33 1.96 -1.00 0.00 0.00 179.01 179.10 2k0f h GLN 4 N 0.02 0.26 -0.16 2.33 4.20 -1.60 -1.10 115.11 119.07 2k0f h GLN 4 Ca -0.01 -0.45 0.05 0.00 0.06 0.00 0.00 58.65 58.29 2k0f h GLN 4 Cb 1.34 0.17 -0.05 0.00 0.30 0.00 0.00 27.48 29.24 2k0f h GLN 4 CO 0.10 1.22 -0.15 0.82 -0.67 0.00 0.00 178.83 180.15 2k0f h ILE 5 N -0.29 0.59 -0.79 2.54 1.08 -1.14 -2.33 117.51 117.15 2k0f h ILE 5 Ca -0.28 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.21 2k0f h ILE 5 Cb 1.76 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 36.06 2k0f h ILE 5 CO 0.08 0.00 0.52 0.00 -0.69 0.00 0.00 178.15 178.07 2k0f h ALA 6 N 0.92 1.46 -0.62 1.87 0.00 -0.83 0.22 119.26 122.29 2k0f h ALA 6 Ca 0.10 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.09 2k0f h ALA 6 Cb 0.32 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 2k0f h ALA 6 CO -0.26 0.49 0.11 1.49 0.00 0.00 0.00 179.25 181.07 2k0f h GLU 7 N 1.04 0.23 -0.05 0.00 4.81 -1.07 0.09 114.58 119.63 2k0f h GLU 7 Ca 0.30 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 2k0f h GLU 7 Cb -0.07 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 2k0f h GLU 7 CO -0.07 0.15 -0.07 0.74 -0.73 0.00 0.00 179.01 179.03 2k0f h PHE 8 N 0.23 0.17 0.59 0.92 0.04 -1.11 -3.21 116.94 114.58 2k0f h PHE 8 Ca 0.33 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 61.02 2k0f h PHE 8 Cb 0.51 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.62 2k0f h PHE 8 CO -0.27 0.62 -0.33 -0.22 -0.60 0.00 0.00 178.31 177.51 2k0f h LYS 9 N -0.33 -0.83 0.00 1.51 3.64 -0.48 -1.99 116.57 118.09 2k0f h LYS 9 Ca 0.01 0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2k0f h LYS 9 Cb 0.60 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 2k0f h LYS 9 CO 0.02 -0.55 -0.33 0.93 -2.27 0.00 0.00 179.45 177.25 2k0f h GLU 10 N -0.86 0.00 -0.15 1.90 4.39 -1.16 -1.31 114.58 117.39 2k0f h GLU 10 Ca -0.07 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.43 2k0f h GLU 10 Cb 0.68 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2k0f h GLU 10 CO 0.09 0.33 -0.66 0.00 -1.16 0.00 0.00 179.01 177.61 2k0f h ALA 11 N 1.67 0.28 -0.60 3.43 0.00 -1.54 -2.50 119.26 120.01 2k0f h ALA 11 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2k0f h ALA 11 Cb 0.75 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2k0f h ALA 11 CO 0.04 0.58 0.35 0.35 0.00 0.00 0.00 179.25 180.57 2k0f h PHE 12 N 0.41 0.80 -0.17 0.00 3.57 -1.21 -2.68 116.94 117.66 2k0f h PHE 12 Ca -0.04 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.50 2k0f h PHE 12 Cb 1.29 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 2k0f h PHE 12 CO 0.09 0.56 0.12 1.03 -2.23 0.00 0.00 178.31 177.89 2k0f h SER 13 N 0.81 0.00 0.60 0.41 0.87 -1.24 -3.20 113.55 111.80 2k0f h SER 13 Ca 0.21 -0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.54 2k0f h SER 13 Cb 0.01 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2k0f h SER 13 CO -0.04 0.00 -1.03 0.25 -0.53 0.00 0.00 176.83 175.48 2k0f h LEU 14 N 0.00 0.34 -0.37 2.23 5.85 -1.09 -3.21 115.31 119.07 2k0f h LEU 14 Ca 0.08 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 2k0f h LEU 14 Cb 0.32 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2k0f h LEU 14 CO -0.00 1.17 0.06 -0.26 -0.34 0.00 0.00 178.44 179.07 2k0f h PHE 15 N 0.11 0.65 -2.58 1.25 0.04 -1.56 -3.42 116.94 111.42 2k0f h PHE 15 Ca -0.08 -0.09 -0.53 0.00 2.80 0.00 0.00 57.97 60.07 2k0f h PHE 15 Cb 1.72 -0.18 0.03 0.00 2.20 0.00 0.00 35.95 39.72 2k0f h PHE 15 CO 0.04 0.66 1.08 0.34 -0.60 0.00 0.00 178.31 179.83 2k0f s ASP 16 N -6.03 6.48 -0.00 2.17 -1.08 -1.22 -4.86 116.67 112.13 2k0f s ASP 16 Ca -0.13 2.67 0.18 0.00 -0.52 0.00 0.00 52.55 54.75 2k0f s ASP 16 Cb 0.09 -2.56 -0.19 0.00 -1.46 0.00 0.00 42.92 38.80 2k0f s ASP 16 CO 0.77 -0.97 0.62 0.29 0.52 0.00 0.00 175.17 176.40 2k0f n LYS 17 N 5.67 0.64 0.00 4.34 4.76 -1.26 -4.08 118.16 128.22 2k0f n LYS 17 Ca 0.17 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 2k0f n LYS 17 Cb 0.39 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k0f n ASP 18 N -2.76 0.00 0.00 4.39 8.00 -1.26 -5.03 116.55 119.88 2k0f n ASP 18 Ca -0.13 0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.89 2k0f n ASP 18 Cb 0.86 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 0.89 1.68 0.24 0.44 0.00 -1.26 -5.09 105.19 102.09 2k0f n GLY 19 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.32 0.00 1.61 5.75 -1.26 -5.09 116.55 117.89 2k0f n ASP 20 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 2k0f n ASP 20 Cb 0.00 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 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 1.95 -0.18 2.92 6.12 0.00 -1.26 -5.14 105.19 109.60 2k0f n GLY 21 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N 0.00 0.33 -0.35 2.61 -4.23 -1.26 -4.41 115.64 108.33 2k0f s THR 22 Ca 0.00 -0.14 -0.10 0.00 -1.18 0.00 0.00 61.69 60.27 2k0f s THR 22 Cb 0.00 -0.31 0.02 0.00 1.34 0.00 0.00 72.50 73.56 2k0f s THR 22 CO 0.00 0.11 0.17 -0.63 -0.54 0.00 0.00 174.62 173.73 2k0f s ILE 23 N 0.13 4.40 0.67 2.99 1.01 -0.87 -4.94 121.20 124.58 2k0f s ILE 23 Ca -0.01 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 59.69 2k0f s ILE 23 Cb -0.04 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.02 2k0f s ILE 23 CO -0.00 -0.15 1.08 0.42 0.00 0.00 0.00 174.94 176.29 2k0f s THR 24 N 1.53 3.61 0.54 2.92 -4.23 -1.26 -1.86 115.64 116.89 2k0f s THR 24 Ca 0.02 0.65 0.22 0.00 -1.18 0.00 0.00 61.69 61.41 2k0f s THR 24 Cb -0.19 -3.22 0.33 0.00 1.34 0.00 0.00 72.50 70.77 2k0f s THR 24 CO 0.06 -0.55 2.11 0.71 -0.54 0.00 0.00 174.62 176.40 2k0f h THR 25 N -0.23 0.78 0.00 3.99 1.35 -1.95 0.21 112.91 117.06 2k0f h THR 25 Ca -0.45 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.30 2k0f h THR 25 Cb 1.23 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 2k0f h THR 25 CO 0.55 0.00 -0.50 0.07 -0.25 0.00 0.00 175.52 175.39 2k0f h LYS 26 N 0.00 0.00 0.26 4.72 2.10 -1.98 -1.18 116.57 120.49 2k0f h LYS 26 Ca 0.08 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.72 2k0f h LYS 26 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2k0f h LYS 26 CO -0.00 0.50 -0.12 0.93 -2.00 0.00 0.00 179.45 178.75 2k0f h GLU 27 N 0.00 -0.33 -0.69 0.07 5.08 -1.66 -3.10 114.58 113.95 2k0f h GLU 27 Ca -0.00 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 27 Cb 1.07 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 2k0f h GLU 27 CO 0.06 -0.22 0.43 1.25 -1.00 0.00 0.00 179.01 179.53 2k0f h LEU 28 N -0.59 0.69 -1.90 1.33 7.12 -0.73 -1.70 115.31 119.53 2k0f h LEU 28 Ca -0.04 0.00 0.02 0.00 0.13 0.00 0.00 57.88 58.00 2k0f h LEU 28 Cb 0.27 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.25 2k0f h LEU 28 CO 0.06 0.47 0.10 1.23 -0.13 0.00 0.00 178.44 180.17 2k0f h GLY 29 N 0.83 0.14 1.24 3.75 0.00 -1.37 0.06 103.07 107.72 2k0f h GLY 29 Ca 0.28 -0.05 -0.24 0.00 0.00 0.00 0.00 47.33 47.32 2k0f h GLY 29 CO -0.12 0.05 -0.90 -0.84 0.00 0.00 0.00 176.54 174.73 2k0f h THR 30 N 0.13 1.29 -0.02 4.70 2.02 -1.24 -2.82 112.91 116.97 2k0f h THR 30 Ca 0.06 -2.13 -0.02 0.00 0.77 0.00 0.00 66.41 65.10 2k0f h THR 30 Cb 0.09 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 2k0f h THR 30 CO -0.01 0.66 -0.07 0.58 0.37 0.00 0.00 175.52 177.05 2k0f h VAL 31 N 0.45 1.49 -0.97 3.16 2.07 -1.09 -1.31 116.25 120.06 2k0f h VAL 31 Ca -0.09 -1.54 0.06 0.00 0.82 0.00 0.00 66.70 65.95 2k0f h VAL 31 Cb 1.53 2.47 -0.06 0.00 -1.52 0.00 0.00 31.29 33.72 2k0f h VAL 31 CO 0.18 0.41 0.63 -0.03 0.02 0.00 0.00 177.57 178.78 2k0f h MET 32 N -0.52 1.10 -0.45 1.57 -1.53 -1.07 -0.51 114.93 113.51 2k0f h MET 32 Ca -0.00 -0.07 -0.05 0.00 -3.44 0.00 0.00 59.70 56.14 2k0f h MET 32 Cb 0.71 -0.25 -0.02 0.00 -0.55 0.00 0.00 31.60 31.49 2k0f h MET 32 CO 0.01 0.73 0.07 0.00 0.14 0.00 0.00 176.91 177.87 2k0f h ARG 33 N 1.13 0.75 -0.24 0.39 3.08 -1.40 -1.26 114.38 116.83 2k0f h ARG 33 Ca 0.41 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 2k0f h ARG 33 Cb 0.16 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2k0f h ARG 33 CO -0.16 0.77 -0.02 1.03 -1.07 0.00 0.00 179.97 180.52 2k0f h SER 34 N 0.62 0.33 0.06 7.04 0.87 -0.71 -2.89 113.55 118.86 2k0f h SER 34 Ca 0.14 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2k0f h SER 34 Cb 0.38 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2k0f h SER 34 CO 0.01 0.41 -0.03 -0.07 -0.53 0.00 0.00 176.83 176.62 2k0f h LEU 35 N 0.35 -0.06 0.00 2.23 3.38 -0.97 -3.46 115.31 116.77 2k0f h LEU 35 Ca 0.08 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2k0f h LEU 35 Cb 0.27 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2k0f h LEU 35 CO 0.01 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.49 2k0f n GLY 36 N -0.01 0.00 3.21 0.83 0.00 -0.57 -5.07 105.19 103.59 2k0f n GLY 36 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 0.68 -0.46 1.61 2.00 -0.68 -5.00 119.66 117.82 2k0f s GLN 37 Ca 0.00 -0.42 0.02 0.00 -2.00 0.00 0.00 55.36 52.96 2k0f s GLN 37 Cb 0.00 0.29 0.13 0.00 0.80 0.00 0.00 33.01 34.24 2k0f s GLN 37 CO 0.00 -0.20 0.24 -0.80 -0.50 0.00 0.00 175.29 174.04 2k0f s ASN 38 N -1.72 3.79 0.74 6.67 0.01 -1.26 -3.02 114.94 120.14 2k0f s ASN 38 Ca -0.09 -2.70 -0.06 0.00 -0.71 0.00 0.00 52.86 49.30 2k0f s ASN 38 Cb -0.03 -1.16 0.10 0.00 0.41 0.00 0.00 41.25 40.57 2k0f s ASN 38 CO -0.00 -0.26 1.04 -2.16 -1.51 0.00 0.00 177.10 174.20 2k0f s PRO 39 N 0.22 1.83 0.16 -0.60 0.04 -1.26 -5.12 135.00 130.28 2k0f s PRO 39 Ca 0.17 -0.56 0.03 0.00 0.04 0.00 0.00 61.00 60.68 2k0f s PRO 39 Cb -0.25 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 2k0f s PRO 39 CO 0.00 -1.44 0.27 0.95 0.04 0.00 0.00 177.00 176.82 2k0f s THR 40 N -3.28 5.22 0.23 1.26 -4.23 -1.26 -4.99 115.64 108.59 2k0f s THR 40 Ca 0.64 -0.76 -0.06 0.00 -1.18 0.00 0.00 61.69 60.33 2k0f s THR 40 Cb -0.08 -3.70 0.19 0.00 1.34 0.00 0.00 72.50 70.25 2k0f s THR 40 CO 0.45 -0.11 1.80 -0.33 -0.54 0.00 0.00 174.62 175.89 2k0f h GLU 41 N 2.09 0.70 -0.05 3.99 4.39 -1.99 0.18 114.58 123.90 2k0f h GLU 41 Ca -0.49 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.11 2k0f h GLU 41 Cb 1.20 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2k0f h GLU 41 CO 0.67 0.46 -0.24 0.00 -1.16 0.00 0.00 179.01 178.75 2k0f h ALA 42 N 1.42 1.51 -0.12 3.43 0.00 -1.99 -2.67 119.26 120.84 2k0f h ALA 42 Ca 0.36 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 2k0f h ALA 42 Cb 0.32 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k0f h ALA 42 CO -0.24 0.36 -0.79 0.93 0.00 0.00 0.00 179.25 179.51 2k0f h GLU 43 N 0.07 0.75 -0.34 0.00 5.08 -1.81 -1.94 114.58 116.40 2k0f h GLU 43 Ca 0.01 -0.64 -0.08 0.00 -1.00 0.00 0.00 59.36 57.65 2k0f h GLU 43 Cb 0.47 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2k0f h GLU 43 CO 0.03 1.25 -0.13 1.25 -1.00 0.00 0.00 179.01 180.41 2k0f h LEU 44 N 0.46 0.58 0.20 1.33 5.85 -0.49 0.24 115.31 123.48 2k0f h LEU 44 Ca -0.06 -0.16 -0.31 0.00 0.84 0.00 0.00 57.88 58.18 2k0f h LEU 44 Cb 1.43 -0.15 0.02 0.00 0.37 0.00 0.00 40.66 42.33 2k0f h LEU 44 CO 0.16 0.74 -1.41 -0.61 -0.34 0.00 0.00 178.44 176.98 2k0f h GLN 45 N 0.54 0.42 -0.64 1.25 4.15 -1.52 -3.11 115.11 116.21 2k0f h GLN 45 Ca 0.09 -0.73 -0.03 0.00 0.77 0.00 0.00 58.65 58.76 2k0f h GLN 45 Cb 0.55 0.27 -0.03 0.00 0.21 0.00 0.00 27.48 28.48 2k0f h GLN 45 CO 0.03 1.34 0.27 0.22 -1.93 0.00 0.00 178.83 178.77 2k0f h ASP 46 N 0.12 0.87 0.80 -0.69 3.58 -0.43 -1.28 116.42 119.38 2k0f h ASP 46 Ca -0.22 -0.16 -0.13 0.00 0.42 0.00 0.00 57.03 56.94 2k0f h ASP 46 Cb 2.09 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.90 2k0f h ASP 46 CO 0.24 0.79 -0.64 -0.03 -2.88 0.00 0.00 179.24 176.72 2k0f h MET 47 N 0.89 0.00 -0.13 0.28 4.05 -0.67 -2.53 114.93 116.81 2k0f h MET 47 Ca 0.21 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.52 2k0f h MET 47 Cb 0.18 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 2k0f h MET 47 CO -0.02 0.64 -0.40 0.82 0.23 0.00 0.00 176.91 178.18 2k0f h ILE 48 N 0.00 1.30 0.00 1.77 2.04 -1.44 -3.31 117.51 117.87 2k0f h ILE 48 Ca -0.01 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.35 2k0f h ILE 48 Cb 1.22 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2k0f h ILE 48 CO 0.08 0.45 0.00 0.59 0.00 0.00 0.00 178.15 179.28 2k0f n ASN 49 N -4.03 0.00 0.02 1.72 3.02 -0.50 -0.32 115.26 115.16 2k0f n ASN 49 Ca -0.01 -0.28 -0.13 0.00 -0.03 0.00 0.00 54.58 54.13 2k0f n ASN 49 Cb 0.48 -0.18 -0.09 0.00 -0.61 0.00 0.00 39.78 39.38 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2k0f h GLU 50 N 0.00 -0.02 0.00 3.52 4.39 -1.63 -3.35 114.58 117.50 2k0f h GLU 50 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k0f h GLU 50 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2k0f h GLU 50 CO 0.00 0.26 -1.30 1.33 -1.16 0.00 0.00 179.01 178.14 2k0f n VAL 51 N -4.96 0.00 -1.79 3.13 0.24 -0.61 -4.94 118.33 109.39 2k0f n VAL 51 Ca -0.08 -0.16 -0.40 0.00 -2.04 0.00 0.00 64.34 61.66 2k0f n VAL 51 Cb 0.16 0.69 0.01 0.00 -1.47 0.00 0.00 33.84 33.23 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 -3.45 5.96 -0.21 -1.34 -1.08 0.56 -4.86 116.67 112.26 2k0f s ASP 52 Ca 0.03 2.96 -0.09 0.00 -0.52 0.00 0.00 52.55 54.94 2k0f s ASP 52 Cb 0.15 -2.66 -0.20 0.00 -1.46 0.00 0.00 42.92 38.76 2k0f s ASP 52 CO 0.87 -1.12 0.04 0.00 0.52 0.00 0.00 175.17 175.48 2k0f n ALA 53 N -0.06 1.08 0.04 3.66 0.00 -1.26 -4.58 120.51 119.39 2k0f n ALA 53 Ca 0.04 -0.81 -0.21 0.00 0.00 0.00 0.00 53.44 52.46 2k0f n ALA 53 Cb 0.41 -0.35 -0.14 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.36 0.50 0.00 0.00 2.03 -1.96 -3.48 116.42 113.16 2k0f h ASP 54 Ca -0.50 -0.87 0.00 0.00 -0.73 0.00 0.00 57.03 54.93 2k0f h ASP 54 Cb 1.78 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 40.12 2k0f h ASP 54 CO -0.11 1.75 0.00 0.61 -1.03 0.00 0.00 179.24 180.46 2k0f n GLY 55 N 1.88 0.88 0.10 7.15 0.00 -1.26 -5.06 105.19 108.87 2k0f n GLY 55 Ca -0.26 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 0.32 0.00 1.61 -1.07 -1.94 -3.48 115.58 111.01 2k0f h ASN 56 Ca 0.00 -0.37 0.00 0.00 0.07 0.00 0.00 56.30 56.00 2k0f h ASN 56 Cb 0.00 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 36.15 2k0f h ASN 56 CO 0.00 1.30 0.00 0.61 0.07 0.00 0.00 177.43 179.41 2k0f n GLY 57 N 1.53 1.42 3.04 9.14 0.00 -1.26 -4.99 105.19 114.06 2k0f n GLY 57 Ca -0.09 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2k0f n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 58 N -2.00 1.45 -0.45 2.61 2.01 -1.26 -4.62 115.64 113.37 2k0f s THR 58 Ca 0.00 -0.61 -0.22 0.00 0.31 0.00 0.00 61.69 61.17 2k0f s THR 58 Cb 0.00 -1.34 0.03 0.00 0.01 0.00 0.00 72.50 71.20 2k0f s THR 58 CO 0.00 0.43 0.72 -0.51 -0.69 0.00 0.00 174.62 174.58 2k0f s ILE 59 N 1.07 4.72 0.70 1.82 2.07 -0.78 -4.88 121.20 125.93 2k0f s ILE 59 Ca -0.05 0.25 -0.11 0.00 -1.41 0.00 0.00 60.65 59.33 2k0f s ILE 59 Cb -0.15 -4.28 0.01 0.00 0.13 0.00 0.00 42.46 38.18 2k0f s ILE 59 CO -0.03 -0.68 1.09 -1.81 -1.91 0.00 0.00 174.94 171.60 2k0f s ASP 60 N 2.12 5.46 0.01 4.50 1.11 -1.26 -2.06 116.67 126.55 2k0f s ASP 60 Ca 0.26 1.15 -0.25 0.00 0.18 0.00 0.00 52.55 53.89 2k0f s ASP 60 Cb -0.13 -1.96 -0.19 0.00 1.07 0.00 0.00 42.92 41.71 2k0f s ASP 60 CO 0.21 -1.34 1.41 0.15 1.18 0.00 0.00 175.17 176.78 2k0f h PHE 61 N -0.65 -0.01 0.00 4.23 3.57 -1.97 -0.51 116.94 121.60 2k0f h PHE 61 Ca -0.45 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2k0f h PHE 61 Cb 1.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.99 2k0f h PHE 61 CO 0.51 0.32 0.00 -2.30 -2.23 0.00 0.00 178.31 174.61 2k0f n PRO 62 N -4.94 0.35 -0.08 6.41 -0.02 -1.26 -1.64 135.00 133.82 2k0f n PRO 62 Ca -0.08 0.07 -0.22 0.00 -2.02 0.00 0.00 63.50 61.25 2k0f n PRO 62 Cb 0.18 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.04 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k0f n GLU 63 N -1.12 0.61 -0.18 -0.52 1.02 -0.47 -2.75 120.64 117.22 2k0f n GLU 63 Ca 0.09 0.51 -0.01 0.00 -0.02 0.00 0.00 57.16 57.73 2k0f n GLU 63 Cb 0.08 -1.74 0.07 0.00 -0.02 0.00 0.00 31.44 29.83 2k0f n GLU 63 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 64 N -0.78 -0.13 -0.26 -0.32 3.57 -1.10 -2.95 116.94 114.98 2k0f h PHE 64 Ca -0.37 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.19 2k0f h PHE 64 Cb 1.47 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 40.33 2k0f h PHE 64 CO 0.09 -0.18 0.11 1.25 -2.23 0.00 0.00 178.31 177.35 2k0f h LEU 65 N 0.07 0.16 -0.68 0.59 5.85 -1.43 -0.43 115.31 119.43 2k0f h LEU 65 Ca 0.29 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.90 2k0f h LEU 65 Cb 0.45 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2k0f h LEU 65 CO -0.52 0.12 -0.32 0.74 -0.34 0.00 0.00 178.44 178.12 2k0f h THR 66 N 0.25 1.28 0.07 1.05 2.02 -1.52 0.32 112.91 116.38 2k0f h THR 66 Ca 0.11 -1.45 -0.26 0.00 0.77 0.00 0.00 66.41 65.58 2k0f h THR 66 Cb 0.05 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2k0f h THR 66 CO -0.09 0.47 -1.23 0.00 0.37 0.00 0.00 175.52 175.04 2k0f h MET 67 N 0.56 0.15 0.16 6.66 -0.00 -1.41 -3.23 114.93 117.83 2k0f h MET 67 Ca 0.06 -0.26 -0.31 0.00 -0.00 0.00 0.00 59.70 59.20 2k0f h MET 67 Cb 0.83 0.10 0.03 0.00 -0.00 0.00 0.00 31.60 32.55 2k0f h MET 67 CO 0.07 1.08 -1.32 0.52 -0.00 0.00 0.00 176.91 177.26 2k0f h MET 68 N 0.04 0.57 0.00 -0.10 2.07 -0.93 -3.29 114.93 113.29 2k0f h MET 68 Ca -0.11 -0.83 0.00 0.00 -2.07 0.00 0.00 59.70 56.69 2k0f h MET 68 Cb 1.91 0.29 0.00 0.00 -1.87 0.00 0.00 31.60 31.92 2k0f h MET 68 CO 0.16 1.38 0.00 0.00 1.07 0.00 0.00 176.91 179.53 2k0f n ALA 69 N -2.68 2.41 -2.55 6.32 0.00 0.11 -4.74 120.51 119.39 2k0f n ALA 69 Ca -0.14 -0.12 -0.39 0.00 0.00 0.00 0.00 53.44 52.78 2k0f n ALA 69 Cb 1.03 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.00 4.41 0.04 0.00 3.52 -1.22 -5.04 118.95 118.67 2k0f s ARG 70 Ca 0.29 0.87 -0.21 0.00 -0.13 0.00 0.00 55.73 56.55 2k0f s ARG 70 Cb 0.13 -3.39 -0.06 0.00 -1.56 0.00 0.00 34.95 30.08 2k0f s ARG 70 CO 0.22 0.23 0.64 0.21 -0.81 0.00 0.00 175.30 175.79 2k0f s LYS 71 N 0.21 4.34 0.24 5.12 2.20 -1.26 -5.04 119.74 125.56 2k0f s LYS 71 Ca 0.35 0.83 0.06 0.00 -0.36 0.00 0.00 55.97 56.85 2k0f s LYS 71 Cb -0.19 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 2k0f s LYS 71 CO 0.19 0.44 0.30 -1.64 -0.36 0.00 0.00 175.35 174.28 2k0f s MET 72 N -0.50 3.25 0.74 4.03 -1.94 -1.26 -5.14 119.30 118.48 2k0f s MET 72 Ca 0.32 -0.87 -0.10 0.00 -1.71 0.00 0.00 55.69 53.33 2k0f s MET 72 Cb -0.19 -2.77 0.05 0.00 2.01 0.00 0.00 34.83 33.93 2k0f s MET 72 CO 0.19 0.42 1.10 -1.59 -0.01 0.00 0.00 175.02 175.13 2k0f s LYS 73 N -3.92 2.38 0.12 2.03 -2.85 -1.26 -4.89 119.74 111.35 2k0f s LYS 73 Ca 0.34 0.15 -0.18 0.00 -1.00 0.00 0.00 55.97 55.27 2k0f s LYS 73 Cb -0.09 -2.04 -0.05 0.00 -2.06 0.00 0.00 37.83 33.60 2k0f s LYS 73 CO 0.27 -1.27 1.73 -0.44 0.10 0.00 0.00 175.35 175.75 2k0f h ASP 74 N -0.77 0.34 -0.17 0.03 3.32 -2.00 -2.46 116.42 114.71 2k0f h ASP 74 Ca -0.45 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.52 2k0f h ASP 74 Cb 1.30 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2k0f h ASP 74 CO 0.64 0.31 0.10 0.71 -1.72 0.00 0.00 179.24 179.28 2k0f h THR 75 N 0.33 1.07 -0.21 0.35 1.35 -1.99 0.23 112.91 114.05 2k0f h THR 75 Ca 0.10 -0.18 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 2k0f h THR 75 Cb 0.05 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 67.34 2k0f h THR 75 CO -0.02 0.07 0.03 0.44 -0.25 0.00 0.00 175.52 175.79 2k0f h ASP 76 N 0.20 0.27 0.20 5.36 3.32 -1.92 -2.54 116.42 121.30 2k0f h ASP 76 Ca 0.06 -0.03 -0.28 0.00 0.02 0.00 0.00 57.03 56.81 2k0f h ASP 76 Cb 0.02 -0.07 0.03 0.00 0.22 0.00 0.00 39.33 39.54 2k0f h ASP 76 CO -0.01 0.29 -1.20 -1.28 -1.72 0.00 0.00 179.24 175.32 2k0f h SER 77 N 0.29 0.71 -0.03 6.45 0.87 -0.88 -0.87 113.55 120.10 2k0f h SER 77 Ca 0.07 -0.92 -0.07 0.00 -1.23 0.00 0.00 61.79 59.64 2k0f h SER 77 Cb 0.15 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2k0f h SER 77 CO -0.00 1.58 -0.16 -0.08 -0.53 0.00 0.00 176.83 177.64 2k0f h GLU 78 N -0.04 0.37 -0.20 2.24 4.81 -0.45 -2.76 114.58 118.55 2k0f h GLU 78 Ca -0.21 -0.11 -0.18 0.00 -0.13 0.00 0.00 59.36 58.74 2k0f h GLU 78 Cb 1.94 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.29 2k0f h GLU 78 CO 0.23 0.53 -0.57 1.49 -0.73 0.00 0.00 179.01 179.96 2k0f h GLU 79 N 0.34 0.74 -0.27 1.92 4.81 -1.51 -2.87 114.58 117.74 2k0f h GLU 79 Ca 0.06 -0.53 0.06 0.00 -0.13 0.00 0.00 59.36 58.82 2k0f h GLU 79 Cb 0.49 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.88 2k0f h GLU 79 CO 0.03 1.15 -0.40 1.49 -0.73 0.00 0.00 179.01 180.55 2k0f h GLU 80 N 0.45 -0.37 -0.41 1.92 4.81 -1.01 -0.87 114.58 119.10 2k0f h GLU 80 Ca -0.02 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 80 Cb 1.19 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 2k0f h GLU 80 CO 0.12 -0.25 0.24 0.82 -0.73 0.00 0.00 179.01 179.21 2k0f h ILE 81 N -0.39 1.04 -0.51 2.32 2.04 -1.59 -0.40 117.51 120.03 2k0f h ILE 81 Ca 0.11 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.88 2k0f h ILE 81 Cb 0.59 0.51 -0.09 0.00 -0.74 0.00 0.00 36.82 37.09 2k0f h ILE 81 CO -0.48 0.09 -0.50 -0.09 0.00 0.00 0.00 178.15 177.17 2k0f h ARG 82 N 0.48 -0.29 0.00 2.37 2.43 -1.42 -1.38 114.38 116.57 2k0f h ARG 82 Ca 0.16 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2k0f h ARG 82 Cb 0.01 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2k0f h ARG 82 CO -0.08 -0.20 -0.00 0.39 -1.51 0.00 0.00 179.97 178.57 2k0f n GLU 83 N -5.38 0.02 -0.08 0.20 -0.58 -0.34 -2.74 120.64 111.73 2k0f n GLU 83 Ca -0.01 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 2k0f n GLU 83 Cb 0.34 -1.52 -0.09 0.00 -0.57 0.00 0.00 31.44 29.61 2k0f n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k0f h ALA 84 N 2.97 0.10 -0.49 0.62 0.00 -0.99 -3.32 119.26 118.15 2k0f h ALA 84 Ca 0.00 -0.69 0.07 0.00 0.00 0.00 0.00 54.91 54.28 2k0f h ALA 84 Cb 0.51 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2k0f h ALA 84 CO 0.00 0.34 0.18 0.35 0.00 0.00 0.00 179.25 180.12 2k0f h PHE 85 N -1.00 0.31 -0.01 0.00 3.57 -1.25 -0.59 116.94 117.97 2k0f h PHE 85 Ca -0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2k0f h PHE 85 Cb 0.89 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2k0f h PHE 85 CO 0.09 0.11 0.00 2.89 -2.23 0.00 0.00 178.31 179.17 2k0f n ARG 86 N -5.00 1.02 0.03 1.11 1.85 -1.11 -0.36 116.66 114.21 2k0f n ARG 86 Ca 0.05 -0.03 -0.15 0.00 -1.00 0.00 0.00 57.85 56.72 2k0f n ARG 86 Cb 0.19 -1.10 -0.05 0.00 -1.05 0.00 0.00 32.46 30.46 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 0.05 1.33 0.01 8.89 2.07 -1.20 -3.37 116.25 124.03 2k0f h VAL 87 Ca 0.00 -2.19 -0.02 0.00 0.82 0.00 0.00 66.70 65.31 2k0f h VAL 87 Cb 0.01 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2k0f h VAL 87 CO 0.00 0.67 -0.08 -0.26 0.02 0.00 0.00 177.57 177.92 2k0f h PHE 88 N 0.37 0.07 -2.73 1.57 0.04 -0.86 -3.43 116.94 111.97 2k0f h PHE 88 Ca -0.07 -0.04 -0.56 0.00 2.80 0.00 0.00 57.97 60.10 2k0f h PHE 88 Cb 1.49 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.61 2k0f h PHE 88 CO 0.07 0.90 1.09 0.34 -0.60 0.00 0.00 178.31 180.11 2k0f s ASP 89 N -6.16 6.55 -0.13 2.17 -1.08 0.52 -4.27 116.67 114.27 2k0f s ASP 89 Ca -0.18 1.83 -0.28 0.00 -0.52 0.00 0.00 52.55 53.41 2k0f s ASP 89 Cb -0.01 -2.53 -0.26 0.00 -1.46 0.00 0.00 42.92 38.66 2k0f s ASP 89 CO 0.70 -1.08 0.81 0.50 0.52 0.00 0.00 175.17 176.62 2k0f h LYS 90 N 10.01 0.02 0.17 4.34 3.64 -1.83 -3.39 116.57 129.53 2k0f h LYS 90 Ca -0.35 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 58.77 2k0f h LYS 90 Cb 1.15 0.01 0.03 0.00 -0.41 0.00 0.00 32.23 33.01 2k0f h LYS 90 CO 0.98 0.98 -1.02 0.38 -2.27 0.00 0.00 179.45 178.50 2k0f h ASP 91 N -0.92 0.57 0.00 4.20 2.03 -1.93 -3.49 116.42 116.89 2k0f h ASP 91 Ca -0.01 -0.94 0.00 0.00 -0.73 0.00 0.00 57.03 55.35 2k0f h ASP 91 Cb 1.01 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.32 2k0f h ASP 91 CO 0.01 1.49 0.00 0.61 -1.03 0.00 0.00 179.24 180.32 2k0f n GLY 92 N 1.69 1.85 0.07 7.15 0.00 -1.26 -5.05 105.19 109.64 2k0f n GLY 92 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 0.46 0.00 1.61 6.94 -1.26 -4.84 115.26 118.17 2k0f n ASN 93 Ca 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 54.58 54.27 2k0f n ASN 93 Cb 0.00 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 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 1.41 1.72 3.63 4.83 0.00 -1.26 -5.11 105.19 110.41 2k0f n GLY 94 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.99 -0.14 1.61 2.02 -1.26 -4.18 117.35 112.40 2k0f s TYR 95 Ca 0.00 2.07 -0.00 0.00 -0.37 0.00 0.00 57.07 58.77 2k0f s TYR 95 Cb 0.00 0.55 -0.01 0.00 -0.40 0.00 0.00 41.96 42.10 2k0f s TYR 95 CO 0.00 -0.49 -0.14 0.42 -1.57 0.00 0.00 175.55 173.77 2k0f s ILE 96 N 1.34 2.90 0.21 2.71 1.01 0.23 -4.76 121.20 124.85 2k0f s ILE 96 Ca -0.08 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 59.93 2k0f s ILE 96 Cb -0.05 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 2k0f s ILE 96 CO -0.15 0.52 0.20 -0.94 0.00 0.00 0.00 174.94 174.57 2k0f s SER 97 N 0.58 5.71 0.58 3.58 1.04 -1.26 -1.03 113.70 122.90 2k0f s SER 97 Ca -0.08 -0.12 0.29 0.00 0.48 0.00 0.00 55.95 56.52 2k0f s SER 97 Cb -0.16 -1.53 1.45 0.00 0.10 0.00 0.00 66.02 65.89 2k0f s SER 97 CO 0.03 0.00 1.87 0.00 0.98 0.00 0.00 173.24 176.13 2k0f h ALA 98 N 1.84 2.35 -0.19 5.32 0.00 -1.96 -0.42 119.26 126.21 2k0f h ALA 98 Ca -0.49 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 2k0f h ALA 98 Cb 1.22 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2k0f h ALA 98 CO 0.62 -0.84 -0.20 0.00 0.00 0.00 0.00 179.25 178.83 2k0f h ALA 99 N 1.44 0.28 0.20 0.00 0.00 -1.99 -3.13 119.26 116.06 2k0f h ALA 99 Ca 0.27 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2k0f h ALA 99 Cb 1.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2k0f h ALA 99 CO -0.00 0.21 -0.09 0.93 0.00 0.00 0.00 179.25 180.30 2k0f h GLU 100 N 0.13 -0.26 -0.37 0.00 5.08 -1.49 -3.25 114.58 114.43 2k0f h GLU 100 Ca 0.03 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 100 Cb 0.75 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.99 2k0f h GLU 100 CO 0.05 0.14 -0.50 1.25 -1.00 0.00 0.00 179.01 178.95 2k0f h LEU 101 N -0.83 -1.69 -0.75 1.33 5.85 -1.30 -3.15 115.31 114.78 2k0f h LEU 101 Ca -0.03 0.22 0.13 0.00 0.84 0.00 0.00 57.88 59.04 2k0f h LEU 101 Cb 0.52 0.69 -0.13 0.00 0.37 0.00 0.00 40.66 42.10 2k0f h LEU 101 CO 0.04 -0.37 -0.34 -0.09 -0.34 0.00 0.00 178.44 177.35 2k0f h ARG 102 N -0.36 -0.09 -0.18 1.25 2.43 -1.64 -1.82 114.38 113.96 2k0f h ARG 102 Ca 0.06 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 2k0f h ARG 102 Cb 0.54 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2k0f h ARG 102 CO -0.54 -0.06 -0.50 1.25 -1.51 0.00 0.00 179.97 178.61 2k0f h HIS 103 N -0.09 0.86 0.00 2.20 2.76 -1.58 -1.74 115.15 117.55 2k0f h HIS 103 Ca 0.29 -0.34 -0.06 0.00 -2.20 0.00 0.00 60.37 58.06 2k0f h HIS 103 Cb 0.57 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 2k0f h HIS 103 CO -0.72 1.12 -0.27 -0.39 -1.30 0.00 0.00 177.93 176.37 2k0f h VAL 104 N 0.35 0.63 -0.79 5.26 -1.51 -1.47 0.34 116.25 119.07 2k0f h VAL 104 Ca -0.01 -1.27 -0.04 0.00 -1.23 0.00 0.00 66.70 64.15 2k0f h VAL 104 Cb 1.12 1.85 -0.03 0.00 -2.13 0.00 0.00 31.29 32.09 2k0f h VAL 104 CO 0.11 0.26 0.33 0.24 -1.23 0.00 0.00 177.57 177.28 2k0f h MET 105 N 0.00 1.17 -0.55 5.19 2.07 -1.26 0.24 114.93 121.79 2k0f h MET 105 Ca -0.00 -0.21 0.00 0.00 -2.07 0.00 0.00 59.70 57.42 2k0f h MET 105 Cb 0.82 -0.19 -0.03 0.00 -1.87 0.00 0.00 31.60 30.33 2k0f h MET 105 CO 0.03 0.94 0.35 1.15 1.07 0.00 0.00 176.91 180.45 2k0f h THR 106 N 1.14 1.15 -0.13 2.22 2.02 -0.97 0.34 112.91 118.69 2k0f h THR 106 Ca 0.26 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 2k0f h THR 106 Cb 0.20 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2k0f h THR 106 CO -0.02 0.15 -0.14 0.78 0.37 0.00 0.00 175.52 176.65 2k0f h ASN 107 N 0.74 0.35 -0.78 4.18 2.35 -0.90 -3.10 115.58 118.42 2k0f h ASN 107 Ca 0.20 -0.49 0.16 0.00 -0.55 0.00 0.00 56.30 55.62 2k0f h ASN 107 Cb -0.05 -0.10 -0.14 0.00 0.05 0.00 0.00 38.32 38.07 2k0f h ASN 107 CO -0.04 0.77 -0.14 0.25 -1.65 0.00 0.00 177.43 176.62 2k0f h LEU 108 N -0.07 -0.63 0.00 1.61 5.85 -0.55 -3.44 115.31 118.08 2k0f h LEU 108 Ca 0.02 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2k0f h LEU 108 Cb 0.68 0.45 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2k0f h LEU 108 CO 0.03 -0.24 0.00 0.61 -0.34 0.00 0.00 178.44 178.50 2k0f n GLY 109 N -1.49 0.34 3.93 3.75 0.00 -0.62 -4.65 105.19 106.45 2k0f n GLY 109 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 3.51 -0.80 1.61 0.41 0.11 -4.95 118.70 118.60 2k0f s GLU 110 Ca 0.00 -0.37 0.02 0.00 -0.41 0.00 0.00 54.97 54.22 2k0f s GLU 110 Cb 0.00 -2.83 0.25 0.00 -1.78 0.00 0.00 34.13 29.77 2k0f s GLU 110 CO 0.00 0.38 0.90 1.63 -0.49 0.00 0.00 175.26 177.68 2k0f n LYS 111 N -0.79 2.93 -2.88 1.61 5.02 -1.26 -4.28 118.16 118.51 2k0f n LYS 111 Ca -0.05 -4.59 -0.41 0.00 -2.02 0.00 0.00 58.31 51.24 2k0f n LYS 111 Cb 0.54 -2.35 -0.04 0.00 -0.02 0.00 0.00 35.03 33.16 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k0f s LEU 112 N -2.24 4.36 0.00 -0.35 1.43 -1.26 -5.07 118.68 115.56 2k0f s LEU 112 Ca 0.34 1.45 -0.05 0.00 -1.03 0.00 0.00 54.13 54.85 2k0f s LEU 112 Cb 0.06 -3.34 0.06 0.00 0.03 0.00 0.00 46.19 43.01 2k0f s LEU 112 CO -0.02 -0.16 0.39 0.35 0.23 0.00 0.00 176.35 177.13 2k0f n THR 113 N 3.67 0.00 0.09 5.49 -2.24 -1.26 -4.86 114.28 115.17 2k0f n THR 113 Ca 0.02 -0.30 -0.06 0.00 -2.27 0.00 0.00 64.05 61.44 2k0f n THR 113 Cb 0.51 -1.82 -0.01 0.00 -2.10 0.00 0.00 70.33 66.91 2k0f n THR 113 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 114 N -0.50 0.07 -0.42 3.42 5.19 -1.99 -2.40 116.42 119.79 2k0f h ASP 114 Ca -0.12 -0.06 0.08 0.00 -0.62 0.00 0.00 57.03 56.31 2k0f h ASP 114 Cb 0.35 -0.02 -0.07 0.00 0.18 0.00 0.00 39.33 39.77 2k0f h ASP 114 CO 0.09 0.89 -0.01 -0.33 -3.12 0.00 0.00 179.24 176.76 2k0f h GLU 115 N 0.03 0.09 -0.02 3.56 3.07 -1.98 -2.17 114.58 117.15 2k0f h GLU 115 Ca -0.02 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 2k0f h GLU 115 Cb 1.51 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.40 2k0f h GLU 115 CO 0.12 0.06 -0.08 0.93 -1.40 0.00 0.00 179.01 178.64 2k0f h GLU 116 N 0.09 0.10 -0.34 2.33 5.08 -1.91 -1.84 114.58 118.09 2k0f h GLU 116 Ca 0.21 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 2k0f h GLU 116 Cb 0.31 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 2k0f h GLU 116 CO -0.36 0.70 -0.35 0.28 -1.00 0.00 0.00 179.01 178.28 2k0f h VAL 117 N -0.49 0.21 0.42 3.13 2.07 -1.43 0.13 116.25 120.28 2k0f h VAL 117 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2k0f h VAL 117 Cb 0.71 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2k0f h VAL 117 CO 0.02 0.00 -0.20 -0.78 0.02 0.00 0.00 177.57 176.62 2k0f h ASP 118 N -0.31 -0.48 -0.09 0.57 3.58 -1.52 -1.88 116.42 116.29 2k0f h ASP 118 Ca 0.15 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 2k0f h ASP 118 Cb 0.56 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 2k0f h ASP 118 CO -0.51 -0.25 0.01 -0.08 -2.88 0.00 0.00 179.24 175.53 2k0f h GLU 119 N -0.69 0.25 -0.12 0.28 4.81 -0.79 -1.95 114.58 116.37 2k0f h GLU 119 Ca -0.06 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2k0f h GLU 119 Cb 0.50 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2k0f h GLU 119 CO 0.10 0.27 -0.05 0.52 -0.73 0.00 0.00 179.01 179.11 2k0f h MET 120 N 0.24 0.24 -0.41 1.92 2.86 -0.72 -1.53 114.93 117.54 2k0f h MET 120 Ca 0.06 -0.10 0.08 0.00 -2.06 0.00 0.00 59.70 57.67 2k0f h MET 120 Cb 0.16 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.74 2k0f h MET 120 CO 0.00 0.57 0.00 0.82 1.06 0.00 0.00 176.91 179.37 2k0f h ILE 121 N -0.09 0.69 0.00 -1.22 1.08 -0.54 -2.87 117.51 114.55 2k0f h ILE 121 Ca 0.03 -0.04 -0.08 0.00 -0.39 0.00 0.00 64.86 64.38 2k0f h ILE 121 Cb 0.49 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 2k0f h ILE 121 CO 0.02 0.02 -0.40 0.03 -0.69 0.00 0.00 178.15 177.13 2k0f h ARG 122 N 0.11 0.00 -0.21 2.37 3.08 -1.42 0.22 114.38 118.52 2k0f h ARG 122 Ca 0.20 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.31 2k0f h ARG 122 Cb 0.29 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.27 2k0f h ARG 122 CO -0.33 0.40 -0.29 1.49 -1.07 0.00 0.00 179.97 180.17 2k0f h GLU 123 N 0.00 -0.30 -0.00 0.04 4.81 -1.06 -2.93 114.58 115.14 2k0f h GLU 123 Ca -0.00 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 123 Cb 0.82 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 2k0f h GLU 123 CO 0.05 -0.20 -0.00 0.00 -0.73 0.00 0.00 179.01 178.13 2k0f h ALA 124 N 0.63 0.00 -2.42 2.92 0.00 -1.23 -3.46 119.26 115.70 2k0f h ALA 124 Ca 0.12 -0.21 -0.54 0.00 0.00 0.00 0.00 54.91 54.29 2k0f h ALA 124 Cb 0.51 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k0f h ALA 124 CO -0.39 -0.29 0.69 0.34 0.00 0.00 0.00 179.25 179.59 2k0f s ASP 125 N -5.62 6.98 -0.25 0.00 2.15 0.68 -4.58 116.67 116.05 2k0f s ASP 125 Ca -0.15 2.02 -0.10 0.00 0.43 0.00 0.00 52.55 54.75 2k0f s ASP 125 Cb 0.02 -2.57 -0.11 0.00 -0.30 0.00 0.00 42.92 39.96 2k0f s ASP 125 CO 0.67 -0.59 -0.30 -0.38 -0.17 0.00 0.00 175.17 174.41 2k0f n ILE 126 N 4.30 1.36 0.00 4.11 5.41 -1.26 -4.75 119.36 128.53 2k0f n ILE 126 Ca 0.11 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.48 2k0f n ILE 126 Cb 0.45 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -3.96 0.00 0.00 4.38 5.68 -1.26 -4.99 116.55 116.40 2k0f n ASP 127 Ca -0.48 0.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.84 2k0f n ASP 127 Cb 0.86 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.84 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 2.42 0.48 0.13 6.12 0.00 -1.26 -5.02 105.19 108.06 2k0f n GLY 128 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 1.69 0.00 1.61 5.68 -1.26 -5.00 116.55 119.27 2k0f n ASP 129 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 2k0f n ASP 129 Cb 0.05 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 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 2.12 0.71 3.51 6.12 0.00 -1.26 -5.06 105.19 111.34 2k0f n GLY 130 Ca -0.41 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.86 2.65 -0.18 1.61 1.11 -1.26 -4.56 119.66 118.16 2k0f s GLN 131 Ca 0.00 -0.63 -0.11 0.00 0.01 0.00 0.00 55.36 54.62 2k0f s GLN 131 Cb 0.00 -2.48 -0.05 0.00 -1.01 0.00 0.00 33.01 29.47 2k0f s GLN 131 CO 0.00 0.62 0.19 0.08 0.01 0.00 0.00 175.29 176.19 2k0f s VAL 132 N -0.70 5.37 0.27 1.09 1.01 -0.20 -4.81 120.40 122.43 2k0f s VAL 132 Ca 0.11 0.32 -0.05 0.00 0.00 0.00 0.00 61.98 62.36 2k0f s VAL 132 Cb -0.11 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 2k0f s VAL 132 CO 0.01 0.43 0.53 0.21 0.00 0.00 0.00 175.10 176.27 2k0f s ASN 133 N 0.35 6.45 0.33 3.32 3.84 -1.26 -0.60 114.94 127.37 2k0f s ASN 133 Ca 0.11 0.68 0.08 0.00 0.21 0.00 0.00 52.86 53.94 2k0f s ASN 133 Cb -0.12 -2.13 0.80 0.00 -0.55 0.00 0.00 41.25 39.25 2k0f s ASN 133 CO 0.00 -0.16 1.81 0.10 -2.79 0.00 0.00 177.10 176.06 2k0f h TYR 134 N 1.80 0.95 -0.17 0.43 -0.00 -1.98 -0.11 116.97 117.88 2k0f h TYR 134 Ca -0.48 0.03 -0.15 0.00 -0.00 0.00 0.00 58.73 58.14 2k0f h TYR 134 Cb 1.19 -0.29 -0.01 0.00 -0.00 0.00 0.00 36.73 37.62 2k0f h TYR 134 CO 0.58 0.25 -0.51 0.93 -0.00 0.00 0.00 178.16 179.41 2k0f h GLU 135 N 0.71 0.48 0.29 0.10 5.08 -1.96 -1.04 114.58 118.23 2k0f h GLU 135 Ca 0.54 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2k0f h GLU 135 Cb 0.90 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2k0f h GLU 135 CO -0.31 0.87 -0.17 0.93 -1.00 0.00 0.00 179.01 179.33 2k0f h GLU 136 N 0.38 -0.43 -0.21 2.33 5.08 -1.64 -3.18 114.58 116.92 2k0f h GLU 136 Ca 0.01 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 136 Cb 1.02 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2k0f h GLU 136 CO 0.09 -0.28 0.13 0.35 -1.00 0.00 0.00 179.01 178.29 2k0f h PHE 137 N -0.44 0.24 0.00 4.33 3.57 -0.88 -2.83 116.94 120.92 2k0f h PHE 137 Ca -0.03 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 2k0f h PHE 137 Cb 0.37 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2k0f h PHE 137 CO -0.09 0.14 -0.39 -0.39 -2.23 0.00 0.00 178.31 175.36 2k0f h VAL 138 N 0.26 0.93 0.00 1.41 -1.51 -1.25 -1.97 116.25 114.12 2k0f h VAL 138 Ca 0.08 -1.56 -0.02 0.00 -1.23 0.00 0.00 66.70 63.97 2k0f h VAL 138 Cb -0.01 1.94 -0.00 0.00 -2.13 0.00 0.00 31.29 31.08 2k0f h VAL 138 CO -0.03 0.38 -0.09 -0.61 -1.23 0.00 0.00 177.57 176.00 2k0f h GLN 139 N 0.00 0.00 0.20 5.19 4.15 -1.50 0.02 115.11 123.17 2k0f h GLN 139 Ca -0.00 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.07 2k0f h GLN 139 Cb 0.91 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.62 2k0f h GLN 139 CO 0.05 0.09 -1.66 1.98 -1.93 0.00 0.00 178.83 177.36 2k0f h MET 140 N 0.00 0.43 -0.17 1.69 4.05 -1.23 -3.37 114.93 116.32 2k0f h MET 140 Ca -0.00 -0.73 -0.13 0.00 -0.28 0.00 0.00 59.70 58.55 2k0f h MET 140 Cb 0.87 0.27 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 2k0f h MET 140 CO 0.01 1.34 -0.40 0.52 0.23 0.00 0.00 176.91 178.61 2k0f h MET 141 N 0.12 0.58 0.00 0.39 2.86 -1.14 -3.52 114.93 114.22 2k0f h MET 141 Ca -0.31 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 56.94 2k0f h MET 141 Cb 2.12 0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.83 2k0f h MET 141 CO 0.21 1.01 0.00 0.25 1.06 0.00 0.00 176.91 179.43