#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 0.00 -0.07 1.09 5.08 -2.05 -2.76 114.58 115.86 2k0f h GLU 2 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 2k0f h GLU 2 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2k0f h GLU 2 CO 0.00 0.00 -0.86 0.93 -1.00 0.00 0.00 179.01 178.08 2k0f h GLU 3 N 0.00 0.63 -0.23 2.33 5.08 -2.05 0.34 114.58 120.69 2k0f h GLU 3 Ca -0.00 -0.58 -0.17 0.00 -1.00 0.00 0.00 59.36 57.61 2k0f h GLU 3 Cb 0.24 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2k0f h GLU 3 CO 0.00 1.19 -0.53 1.96 -1.00 0.00 0.00 179.01 180.63 2k0f h GLN 4 N 0.40 0.77 -0.34 2.33 7.50 -1.97 -2.51 115.11 121.29 2k0f h GLN 4 Ca -0.07 -0.52 0.06 0.00 0.50 0.00 0.00 58.65 58.62 2k0f h GLN 4 Cb 1.49 0.07 -0.06 0.00 0.05 0.00 0.00 27.48 29.04 2k0f h GLN 4 CO 0.17 1.14 -0.01 0.82 -1.50 0.00 0.00 178.83 179.45 2k0f h ILE 5 N 0.51 0.74 -0.97 2.54 1.08 -1.19 -0.76 117.51 119.46 2k0f h ILE 5 Ca -0.00 -0.03 0.05 0.00 -0.39 0.00 0.00 64.86 64.49 2k0f h ILE 5 Cb 1.14 0.65 -0.06 0.00 -3.07 0.00 0.00 36.82 35.48 2k0f h ILE 5 CO 0.12 0.02 0.63 0.00 -0.69 0.00 0.00 178.15 178.22 2k0f h ALA 6 N 1.30 1.31 0.00 1.87 0.00 -0.96 -1.28 119.26 121.50 2k0f h ALA 6 Ca 0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2k0f h ALA 6 Cb 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k0f h ALA 6 CO -0.28 0.47 -0.26 1.49 0.00 0.00 0.00 179.25 180.67 2k0f h GLU 7 N 1.19 0.00 0.00 0.00 4.81 -0.89 0.40 114.58 120.10 2k0f h GLU 7 Ca 0.40 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.47 2k0f h GLU 7 Cb 0.07 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2k0f h GLU 7 CO -0.14 0.26 -1.35 0.74 -0.73 0.00 0.00 179.01 177.78 2k0f h PHE 8 N 0.00 0.00 -0.23 0.92 0.04 -1.01 -2.54 116.94 114.12 2k0f h PHE 8 Ca -0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 2k0f h PHE 8 Cb 0.99 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.15 2k0f h PHE 8 CO 0.00 0.58 -0.48 0.87 -0.60 0.00 0.00 178.31 178.68 2k0f h LYS 9 N 0.00 0.73 -0.63 1.51 1.57 -1.07 -1.45 116.57 117.24 2k0f h LYS 9 Ca -0.15 -0.48 -0.05 0.00 -1.87 0.00 0.00 60.65 58.09 2k0f h LYS 9 Cb 1.58 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.93 2k0f h LYS 9 CO 0.05 1.10 0.18 0.93 -0.57 0.00 0.00 179.45 181.14 2k0f h GLU 10 N 0.46 0.99 -0.96 3.15 4.39 -1.01 0.14 114.58 121.73 2k0f h GLU 10 Ca 0.00 -0.22 0.04 0.00 0.34 0.00 0.00 59.36 59.53 2k0f h GLU 10 Cb 1.09 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.54 2k0f h GLU 10 CO 0.11 0.88 0.63 0.00 -1.16 0.00 0.00 179.01 179.46 2k0f h ALA 11 N 1.06 1.29 -0.16 3.43 0.00 -1.49 -1.91 119.26 121.48 2k0f h ALA 11 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2k0f h ALA 11 Cb 0.32 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k0f h ALA 11 CO -0.00 0.48 0.06 0.35 0.00 0.00 0.00 179.25 180.13 2k0f h PHE 12 N 1.19 0.26 0.00 0.00 3.04 -0.92 -2.69 116.94 117.81 2k0f h PHE 12 Ca 0.39 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.32 2k0f h PHE 12 Cb 0.05 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.48 2k0f h PHE 12 CO -0.01 0.35 0.00 0.43 -2.02 0.00 0.00 178.31 177.06 2k0f n SER 13 N -4.84 0.31 0.02 0.41 7.64 0.46 -0.42 113.62 117.19 2k0f n SER 13 Ca -0.05 0.60 -0.18 0.00 1.01 0.00 0.00 58.87 60.24 2k0f n SER 13 Cb 0.14 -0.65 -0.12 0.00 -1.01 0.00 0.00 64.21 62.57 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k0f h LEU 14 N 0.00 0.59 0.65 -3.43 5.85 -1.01 -3.34 115.31 114.62 2k0f h LEU 14 Ca 0.00 -0.79 -0.03 0.00 0.84 0.00 0.00 57.88 57.90 2k0f h LEU 14 Cb 0.20 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.06 2k0f h LEU 14 CO 0.00 1.31 -0.31 -0.26 -0.34 0.00 0.00 178.44 178.84 2k0f h PHE 15 N -0.06 -0.80 -1.93 1.25 0.04 -1.34 -3.46 116.94 110.64 2k0f h PHE 15 Ca -0.10 -0.02 -0.51 0.00 2.80 0.00 0.00 57.97 60.14 2k0f h PHE 15 Cb 1.45 0.27 -0.01 0.00 2.20 0.00 0.00 35.95 39.85 2k0f h PHE 15 CO 0.15 -0.50 1.48 0.34 -0.60 0.00 0.00 178.31 179.18 2k0f s ASP 16 N -3.42 5.04 -0.04 2.17 2.15 0.43 -4.78 116.67 118.22 2k0f s ASP 16 Ca -0.13 1.05 -0.09 0.00 0.43 0.00 0.00 52.55 53.81 2k0f s ASP 16 Cb 0.01 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 40.07 2k0f s ASP 16 CO 0.38 -2.42 0.45 0.11 -0.17 0.00 0.00 175.17 173.51 2k0f h LYS 17 N 16.63 -0.33 -5.43 4.34 1.79 -1.88 -3.42 116.57 128.27 2k0f h LYS 17 Ca -0.29 0.02 -0.61 0.00 -2.18 0.00 0.00 60.65 57.60 2k0f h LYS 17 Cb 1.22 0.07 -0.12 0.00 -1.58 0.00 0.00 32.23 31.83 2k0f h LYS 17 CO 1.12 -0.22 -0.05 0.16 -1.08 0.00 0.00 179.45 179.39 2k0f s ASP 18 N -4.63 6.49 -1.35 0.86 1.47 -1.26 -5.02 116.67 113.22 2k0f s ASP 18 Ca -0.05 0.58 -0.09 0.00 1.18 0.00 0.00 52.55 54.17 2k0f s ASP 18 Cb 0.00 -2.28 0.11 0.00 -0.34 0.00 0.00 42.92 40.42 2k0f s ASP 18 CO 0.15 -0.22 2.15 0.61 0.68 0.00 0.00 175.17 178.54 2k0f n GLY 19 N 4.14 4.76 0.03 2.12 0.00 -1.26 -4.42 105.19 110.56 2k0f n GLY 19 Ca -0.05 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 44.08 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 3.77 0.01 0.00 1.61 5.68 -1.26 -5.01 116.55 121.34 2k0f n ASP 20 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.80 2k0f n ASP 20 Cb 0.33 1.73 0.00 0.00 -1.14 0.00 0.00 41.12 42.04 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 1.38 1.19 2.80 6.12 0.00 -1.26 -5.08 105.19 110.34 2k0f n GLY 21 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 0.58 -0.27 2.61 -4.23 -1.26 -3.75 115.64 107.31 2k0f s THR 22 Ca 0.00 -0.11 -0.15 0.00 -1.18 0.00 0.00 61.69 60.24 2k0f s THR 22 Cb 0.00 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 73.04 2k0f s THR 22 CO 0.00 0.20 0.40 -0.63 -0.54 0.00 0.00 174.62 174.05 2k0f s ILE 23 N 1.88 5.15 0.65 2.99 1.01 -0.24 -4.90 121.20 127.74 2k0f s ILE 23 Ca 0.04 0.60 -0.09 0.00 0.00 0.00 0.00 60.65 61.20 2k0f s ILE 23 Cb -0.13 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.61 2k0f s ILE 23 CO -0.06 0.13 1.01 0.42 0.00 0.00 0.00 174.94 176.44 2k0f s THR 24 N 2.12 3.78 0.50 2.92 -4.23 -1.26 -2.08 115.64 117.39 2k0f s THR 24 Ca 0.16 0.38 0.21 0.00 -1.18 0.00 0.00 61.69 61.26 2k0f s THR 24 Cb -0.16 -3.55 0.36 0.00 1.34 0.00 0.00 72.50 70.49 2k0f s THR 24 CO 0.10 -0.66 2.01 0.71 -0.54 0.00 0.00 174.62 176.24 2k0f h THR 25 N -0.42 0.82 -0.16 3.99 1.35 -1.91 -2.10 112.91 114.48 2k0f h THR 25 Ca -0.45 -0.04 0.01 0.00 -0.55 0.00 0.00 66.41 65.38 2k0f h THR 25 Cb 1.24 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 2k0f h THR 25 CO 0.63 0.02 0.09 0.11 -0.25 0.00 0.00 175.52 176.12 2k0f h LYS 26 N 0.12 0.19 -0.14 4.72 1.57 -1.96 0.45 116.57 121.52 2k0f h LYS 26 Ca 0.22 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2k0f h LYS 26 Cb 0.73 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 2k0f h LYS 26 CO -0.03 0.12 -0.03 0.93 -0.57 0.00 0.00 179.45 179.88 2k0f h GLU 27 N 0.19 0.27 -0.41 3.15 5.08 -1.88 -1.86 114.58 119.13 2k0f h GLU 27 Ca 0.06 -0.10 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2k0f h GLU 27 Cb -0.00 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.16 2k0f h GLU 27 CO -0.03 0.55 -0.03 1.25 -1.00 0.00 0.00 179.01 179.75 2k0f h LEU 28 N -0.03 -0.22 -0.51 1.33 5.85 -1.33 -0.73 115.31 119.66 2k0f h LEU 28 Ca 0.04 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.91 2k0f h LEU 28 Cb 0.44 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 2k0f h LEU 28 CO 0.01 -0.07 0.25 1.23 -0.34 0.00 0.00 178.44 179.52 2k0f h GLY 29 N 0.08 0.71 0.16 3.75 0.00 -0.92 -2.10 103.07 104.75 2k0f h GLY 29 Ca 0.20 -0.16 0.18 0.00 0.00 0.00 0.00 47.33 47.54 2k0f h GLY 29 CO -0.36 0.09 0.56 -0.84 0.00 0.00 0.00 176.54 175.99 2k0f h THR 30 N 0.48 0.72 0.89 4.70 2.02 -0.74 0.93 112.91 121.90 2k0f h THR 30 Ca 0.23 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 2k0f h THR 30 Cb 0.16 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 2k0f h THR 30 CO -0.18 0.13 -0.49 0.58 0.37 0.00 0.00 175.52 175.94 2k0f h VAL 31 N 0.73 0.00 -0.38 3.16 2.07 -1.06 -2.24 116.25 118.54 2k0f h VAL 31 Ca 0.54 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.14 2k0f h VAL 31 Cb 0.81 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.50 2k0f h VAL 31 CO -0.38 0.00 -0.25 0.24 0.02 0.00 0.00 177.57 177.20 2k0f h MET 32 N -1.27 -0.19 -0.98 1.57 2.86 -1.06 -1.30 114.93 114.56 2k0f h MET 32 Ca -0.12 0.01 0.20 0.00 -2.06 0.00 0.00 59.70 57.73 2k0f h MET 32 Cb 1.00 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.61 2k0f h MET 32 CO 0.16 -0.12 0.62 -0.09 1.06 0.00 0.00 176.91 178.53 2k0f h ARG 33 N -0.19 0.60 -0.36 1.72 2.43 -0.91 0.11 114.38 117.78 2k0f h ARG 33 Ca 0.18 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.17 2k0f h ARG 33 Cb 0.48 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2k0f h ARG 33 CO -0.50 0.40 -0.37 0.77 -1.51 0.00 0.00 179.97 178.76 2k0f h SER 34 N 0.62 0.89 0.17 -3.80 0.02 -0.70 -3.29 113.55 107.46 2k0f h SER 34 Ca 0.54 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2k0f h SER 34 Cb 1.03 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2k0f h SER 34 CO -0.30 1.16 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.40 2k0f h LEU 35 N 0.69 -0.19 0.00 5.07 3.38 0.24 -3.45 115.31 121.06 2k0f h LEU 35 Ca 0.06 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2k0f h LEU 35 Cb 0.94 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2k0f h LEU 35 CO 0.09 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.50 2k0f n GLY 36 N 0.16 -2.28 3.81 0.83 0.00 -0.35 -5.08 105.19 102.26 2k0f n GLY 36 Ca -0.09 0.74 -0.35 0.00 0.00 0.00 0.00 46.02 46.33 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N -0.39 4.36 -0.31 1.61 -0.21 -1.26 -4.64 119.66 118.82 2k0f s GLN 37 Ca 0.00 1.15 0.01 0.00 0.02 0.00 0.00 55.36 56.54 2k0f s GLN 37 Cb 0.00 -2.49 0.10 0.00 1.00 0.00 0.00 33.01 31.62 2k0f s GLN 37 CO 0.00 0.13 0.07 1.21 -2.12 0.00 0.00 175.29 174.58 2k0f s ASN 38 N -1.93 4.23 1.20 5.90 2.47 -1.26 -3.74 114.94 121.81 2k0f s ASN 38 Ca 0.56 -1.75 -0.15 0.00 0.42 0.00 0.00 52.86 51.93 2k0f s ASN 38 Cb -0.13 -1.13 0.29 0.00 -1.45 0.00 0.00 41.25 38.83 2k0f s ASN 38 CO 0.18 -0.39 1.02 -2.84 -3.72 0.00 0.00 177.10 171.36 2k0f s PRO 39 N 1.37 -1.21 0.58 0.43 0.02 -1.26 -4.99 135.00 129.94 2k0f s PRO 39 Ca 0.09 0.55 0.02 0.00 0.02 0.00 0.00 61.00 61.67 2k0f s PRO 39 Cb -0.18 -1.54 0.05 0.00 0.02 0.00 0.00 34.50 32.85 2k0f s PRO 39 CO -0.18 -3.84 0.80 0.95 -0.33 0.00 0.00 177.00 174.41 2k0f s THR 40 N -2.55 2.56 0.24 0.99 -4.23 -1.26 -4.99 115.64 106.40 2k0f s THR 40 Ca 0.68 -0.68 -0.05 0.00 -1.18 0.00 0.00 61.69 60.46 2k0f s THR 40 Cb -0.21 -2.88 0.21 0.00 1.34 0.00 0.00 72.50 70.96 2k0f s THR 40 CO 0.62 0.00 1.73 -0.33 -0.54 0.00 0.00 174.62 176.10 2k0f h GLU 41 N -0.00 0.42 -0.79 3.99 3.07 -1.98 -2.54 114.58 116.75 2k0f h GLU 41 Ca -0.40 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.44 2k0f h GLU 41 Cb 1.29 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 29.07 2k0f h GLU 41 CO 0.49 0.28 0.52 0.00 -1.40 0.00 0.00 179.01 178.90 2k0f h ALA 42 N 1.53 1.44 0.00 3.43 0.00 -1.98 -0.31 119.26 123.38 2k0f h ALA 42 Ca 0.40 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2k0f h ALA 42 Cb 0.60 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2k0f h ALA 42 CO -0.40 0.52 -0.38 0.93 0.00 0.00 0.00 179.25 179.92 2k0f h GLU 43 N 1.07 0.00 0.00 0.00 5.08 -1.90 -2.70 114.58 116.13 2k0f h GLU 43 Ca 0.29 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.53 2k0f h GLU 43 Cb -0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2k0f h GLU 43 CO -0.06 0.00 -1.28 -0.07 -1.00 0.00 0.00 179.01 176.60 2k0f h LEU 44 N 0.00 0.00 -0.40 1.33 3.38 -0.97 -3.35 115.31 115.30 2k0f h LEU 44 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2k0f h LEU 44 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 2k0f h LEU 44 CO 0.00 0.42 -0.43 -0.61 0.09 0.00 0.00 178.44 177.90 2k0f h GLN 45 N 0.00 0.87 -0.91 1.13 4.15 -1.10 -2.38 115.11 116.87 2k0f h GLN 45 Ca -0.12 -0.48 0.06 0.00 0.77 0.00 0.00 58.65 58.88 2k0f h GLN 45 Cb 1.42 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 29.08 2k0f h GLN 45 CO 0.03 1.13 0.58 0.22 -1.93 0.00 0.00 178.83 178.86 2k0f h ASP 46 N 0.70 0.92 -0.21 -0.69 3.58 -1.62 0.39 116.42 119.50 2k0f h ASP 46 Ca 0.05 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.53 2k0f h ASP 46 Cb 1.02 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 2k0f h ASP 46 CO 0.10 0.59 0.07 0.24 -2.88 0.00 0.00 179.24 177.36 2k0f h MET 47 N 1.06 0.16 0.19 0.28 2.86 -1.68 -3.12 114.93 114.68 2k0f h MET 47 Ca 0.39 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 58.01 2k0f h MET 47 Cb 0.15 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2k0f h MET 47 CO -0.17 0.10 -0.09 0.82 1.06 0.00 0.00 176.91 178.64 2k0f h ILE 48 N 0.16 0.88 0.00 -1.22 2.04 -0.84 -3.34 117.51 115.18 2k0f h ILE 48 Ca 0.09 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.02 2k0f h ILE 48 Cb 0.06 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2k0f h ILE 48 CO -0.10 0.19 0.00 0.59 0.00 0.00 0.00 178.15 178.83 2k0f n ASN 49 N -4.99 0.00 -0.06 1.72 4.13 0.07 -1.97 115.26 114.15 2k0f n ASN 49 Ca -0.08 0.07 -0.12 0.00 1.68 0.00 0.00 54.58 56.12 2k0f n ASN 49 Cb 0.26 -0.33 -0.06 0.00 -1.54 0.00 0.00 39.78 38.11 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2k0f h GLU 50 N 0.00 0.38 0.00 3.52 4.57 -1.66 -3.31 114.58 118.07 2k0f h GLU 50 Ca 0.00 -0.16 -0.22 0.00 -1.18 0.00 0.00 59.36 57.80 2k0f h GLU 50 Cb 0.26 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 2k0f h GLU 50 CO 0.00 0.68 -1.06 0.28 -1.18 0.00 0.00 179.01 177.73 2k0f h VAL 51 N 0.06 1.63 -2.58 0.32 2.07 -1.57 -3.47 116.25 112.70 2k0f h VAL 51 Ca 0.04 -3.35 -0.53 0.00 0.82 0.00 0.00 66.70 63.68 2k0f h VAL 51 Cb 0.57 2.81 0.04 0.00 -1.52 0.00 0.00 31.29 33.18 2k0f h VAL 51 CO 0.03 0.93 1.08 -0.62 0.02 0.00 0.00 177.57 179.00 2k0f s ASP 52 N -6.65 6.46 -0.19 0.57 2.15 -1.09 -4.92 116.67 113.00 2k0f s ASP 52 Ca 0.01 2.70 0.17 0.00 0.43 0.00 0.00 52.55 55.85 2k0f s ASP 52 Cb 0.10 -2.57 -0.24 0.00 -0.30 0.00 0.00 42.92 39.91 2k0f s ASP 52 CO 0.82 -0.97 0.06 0.00 -0.17 0.00 0.00 175.17 174.91 2k0f n ALA 53 N 5.55 1.52 0.00 3.66 0.00 -1.26 -4.48 120.51 125.50 2k0f n ALA 53 Ca 0.17 -1.28 -0.01 0.00 0.00 0.00 0.00 53.44 52.32 2k0f n ALA 53 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 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 0.00 -0.07 0.00 0.00 3.04 -1.96 -3.49 116.42 113.94 2k0f h ASP 54 Ca -0.53 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.27 2k0f h ASP 54 Cb 2.19 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 40.50 2k0f h ASP 54 CO 0.03 0.26 0.00 0.61 -2.04 0.00 0.00 179.24 178.10 2k0f n GLY 55 N 1.56 0.85 0.00 7.15 0.00 -1.26 -5.05 105.19 108.43 2k0f n GLY 55 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 4.69 0.00 1.61 6.94 -1.26 -5.04 115.26 122.20 2k0f n ASN 56 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2k0f n ASN 56 Cb 0.00 0.93 0.00 0.00 -2.36 0.00 0.00 39.78 38.35 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 57 N 2.54 0.55 3.14 4.83 0.00 -1.26 -5.05 105.19 109.95 2k0f n GLY 57 Ca -0.01 -0.76 -0.20 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 1.10 -0.24 2.61 -4.23 -1.26 -4.70 115.64 106.92 2k0f s THR 58 Ca 0.00 -0.97 -0.24 0.00 -1.18 0.00 0.00 61.69 59.30 2k0f s THR 58 Cb 0.00 -0.99 -0.01 0.00 1.34 0.00 0.00 72.50 72.84 2k0f s THR 58 CO 0.00 0.02 0.78 -0.51 -0.54 0.00 0.00 174.62 174.37 2k0f s ILE 59 N -0.82 4.88 0.59 2.99 2.07 -0.89 -4.83 121.20 125.19 2k0f s ILE 59 Ca 0.02 1.47 0.03 0.00 -1.41 0.00 0.00 60.65 60.76 2k0f s ILE 59 Cb -0.08 -4.08 0.07 0.00 0.13 0.00 0.00 42.46 38.51 2k0f s ILE 59 CO 0.01 -0.04 0.82 -1.81 -1.91 0.00 0.00 174.94 172.02 2k0f s ASP 60 N 1.34 4.98 -0.03 4.50 1.11 -1.26 -1.08 116.67 126.23 2k0f s ASP 60 Ca 0.33 -0.38 -0.24 0.00 0.18 0.00 0.00 52.55 52.44 2k0f s ASP 60 Cb -0.15 -0.28 -0.18 0.00 1.07 0.00 0.00 42.92 43.37 2k0f s ASP 60 CO 0.08 -1.38 1.10 0.15 1.18 0.00 0.00 175.17 176.30 2k0f h PHE 61 N -0.02 -0.15 0.00 4.23 3.57 -1.97 0.13 116.94 122.74 2k0f h PHE 61 Ca -0.37 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.13 2k0f h PHE 61 Cb 1.28 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2k0f h PHE 61 CO 0.20 0.31 0.00 -2.30 -2.23 0.00 0.00 178.31 174.29 2k0f n PRO 62 N -4.92 0.04 0.01 6.41 -0.02 -1.26 -1.34 135.00 133.91 2k0f n PRO 62 Ca -0.08 0.45 -0.21 0.00 -2.02 0.00 0.00 63.50 61.63 2k0f n PRO 62 Cb 0.27 -1.61 -0.14 0.00 -0.02 0.00 0.00 33.50 32.00 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k0f h GLU 63 N 0.00 0.25 -0.23 -0.52 5.08 -1.87 -2.91 114.58 114.38 2k0f h GLU 63 Ca 0.00 -0.43 0.04 0.00 -1.00 0.00 0.00 59.36 57.97 2k0f h GLU 63 Cb 0.10 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 2k0f h GLU 63 CO 0.00 1.20 -0.52 0.35 -1.00 0.00 0.00 179.01 179.05 2k0f h PHE 64 N -0.29 -1.56 -0.51 4.33 3.57 -0.45 -1.86 116.94 120.17 2k0f h PHE 64 Ca -0.30 0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.31 2k0f h PHE 64 Cb 1.77 0.71 -0.05 0.00 2.79 0.00 0.00 35.95 41.18 2k0f h PHE 64 CO 0.13 -0.49 0.25 1.25 -2.23 0.00 0.00 178.31 177.21 2k0f h LEU 65 N -0.48 0.35 -1.47 0.59 5.85 -1.39 -2.58 115.31 116.17 2k0f h LEU 65 Ca 0.04 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 2k0f h LEU 65 Cb 0.61 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2k0f h LEU 65 CO -0.47 0.24 -0.23 0.74 -0.34 0.00 0.00 178.44 178.38 2k0f h THR 66 N 0.48 0.76 -0.13 1.05 2.02 -1.29 -2.04 112.91 113.76 2k0f h THR 66 Ca 0.23 -0.95 -0.20 0.00 0.77 0.00 0.00 66.41 66.26 2k0f h THR 66 Cb 0.16 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2k0f h THR 66 CO -0.17 0.23 -0.72 -0.03 0.37 0.00 0.00 175.52 175.19 2k0f h MET 67 N 0.00 0.59 0.00 6.66 1.85 -0.96 -3.33 114.93 119.74 2k0f h MET 67 Ca -0.00 -0.46 -0.16 0.00 -0.61 0.00 0.00 59.70 58.47 2k0f h MET 67 Cb 0.57 0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.66 2k0f h MET 67 CO 0.03 1.08 -1.65 -1.33 -0.40 0.00 0.00 176.91 174.64 2k0f n MET 68 N -3.89 0.64 -0.04 0.39 2.00 -1.04 -4.46 117.12 110.72 2k0f n MET 68 Ca -0.05 0.10 -0.06 0.00 0.00 0.00 0.00 57.70 57.69 2k0f n MET 68 Cb 0.71 -1.71 -0.14 0.00 0.00 0.00 0.00 33.22 32.08 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0f n ALA 69 N -2.42 1.69 -2.00 3.04 0.00 -0.78 -4.87 120.51 115.17 2k0f n ALA 69 Ca -0.12 -0.93 -0.22 0.00 0.00 0.00 0.00 53.44 52.17 2k0f n ALA 69 Cb 0.82 -0.60 0.08 0.00 0.00 0.00 0.00 19.45 19.75 2k0f n ALA 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k0f s ARG 70 N -2.69 2.07 0.60 0.00 0.52 -1.25 -5.10 118.95 113.11 2k0f s ARG 70 Ca -0.07 -1.23 -0.03 0.00 -0.52 0.00 0.00 55.73 53.89 2k0f s ARG 70 Cb 0.08 -2.48 0.04 0.00 0.52 0.00 0.00 34.95 33.10 2k0f s ARG 70 CO 0.83 -1.08 0.88 0.15 0.02 0.00 0.00 175.30 176.10 2k0f s LYS 71 N -4.89 2.54 0.78 3.54 -0.14 -1.26 -4.97 119.74 115.34 2k0f s LYS 71 Ca 0.63 -0.42 -0.07 0.00 -1.36 0.00 0.00 55.97 54.75 2k0f s LYS 71 Cb -0.07 -2.34 0.13 0.00 -1.68 0.00 0.00 37.83 33.87 2k0f s LYS 71 CO 0.41 -0.86 1.09 -1.64 -0.76 0.00 0.00 175.35 173.59 2k0f s MET 72 N -4.96 1.56 0.00 1.68 -1.94 -1.26 -5.07 119.30 109.31 2k0f s MET 72 Ca 0.57 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 53.92 2k0f s MET 72 Cb -0.10 -2.14 0.00 0.00 2.01 0.00 0.00 34.83 34.59 2k0f s MET 72 CO 0.42 -1.64 0.27 1.17 -0.01 0.00 0.00 175.02 175.22 2k0f n LYS 73 N -3.12 0.00 0.00 2.03 4.81 -1.26 -4.99 118.16 115.63 2k0f n LYS 73 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 2k0f n LYS 73 Cb 0.60 -0.74 0.00 0.00 0.02 0.00 0.00 35.03 34.91 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k0f n ASP 74 N -0.32 0.00 -1.07 3.14 8.00 -1.26 -4.95 116.55 120.10 2k0f n ASP 74 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.60 2k0f n ASP 74 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.36 2k0f n ASP 74 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2k0f n THR 75 N 0.00 0.73 0.12 -3.53 -2.24 -1.26 -4.60 114.28 103.50 2k0f n THR 75 Ca 0.00 -0.76 0.08 0.00 -2.27 0.00 0.00 64.05 61.10 2k0f n THR 75 Cb 0.00 0.46 0.42 0.00 -2.10 0.00 0.00 70.33 69.11 2k0f n THR 75 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k0f n ASP 76 N 1.21 0.40 0.30 3.42 9.92 -1.26 -1.96 116.55 128.58 2k0f n ASP 76 Ca 0.20 0.67 0.18 0.00 -0.53 0.00 0.00 54.79 55.31 2k0f n ASP 76 Cb 0.50 -0.71 1.02 0.00 -0.64 0.00 0.00 41.12 41.29 2k0f n ASP 76 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2k0f h SER 77 N 0.00 0.00 -0.15 -2.24 4.64 -2.00 -1.77 113.55 112.03 2k0f h SER 77 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 2k0f h SER 77 Cb 0.07 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2k0f h SER 77 CO 0.00 0.00 -0.74 -0.08 -0.87 0.00 0.00 176.83 175.14 2k0f h GLU 78 N 0.00 0.80 0.00 4.77 4.57 -1.80 -3.30 114.58 119.62 2k0f h GLU 78 Ca 0.01 -0.62 -0.13 0.00 -1.18 0.00 0.00 59.36 57.44 2k0f h GLU 78 Cb 0.12 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 2k0f h GLU 78 CO -0.00 1.24 -0.63 1.49 -1.18 0.00 0.00 179.01 179.92 2k0f h GLU 79 N 0.55 0.00 -0.38 1.92 4.57 -1.64 -2.97 114.58 116.63 2k0f h GLU 79 Ca -0.04 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 2k0f h GLU 79 Cb 1.37 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.94 2k0f h GLU 79 CO 0.15 0.63 0.17 0.93 -1.18 0.00 0.00 179.01 179.71 2k0f h GLU 80 N 0.00 0.56 0.47 1.92 5.08 -1.46 -2.24 114.58 118.92 2k0f h GLU 80 Ca -0.01 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2k0f h GLU 80 Cb 1.45 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2k0f h GLU 80 CO 0.08 0.52 -0.34 0.82 -1.00 0.00 0.00 179.01 179.09 2k0f h ILE 81 N 0.47 0.30 -0.91 3.13 1.08 -1.63 0.19 117.51 120.13 2k0f h ILE 81 Ca 0.13 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.74 2k0f h ILE 81 Cb 0.16 0.30 -0.15 0.00 -3.07 0.00 0.00 36.82 34.06 2k0f h ILE 81 CO -0.01 0.00 -0.36 0.54 -0.69 0.00 0.00 178.15 177.62 2k0f n ARG 82 N -5.47 -0.22 0.08 2.37 1.74 -1.13 -0.39 116.66 113.64 2k0f n ARG 82 Ca -0.11 1.40 -0.09 0.00 -0.77 0.00 0.00 57.85 58.29 2k0f n ARG 82 Cb 0.36 -2.08 -0.08 0.00 -1.02 0.00 0.00 32.46 29.64 2k0f n ARG 82 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2k0f h GLU 83 N 0.00 0.10 -0.83 5.56 4.39 -1.19 0.26 114.58 122.86 2k0f h GLU 83 Ca 0.31 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.91 2k0f h GLU 83 Cb 0.54 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 2k0f h GLU 83 CO -0.90 1.01 0.53 0.00 -1.16 0.00 0.00 179.01 178.48 2k0f h ALA 84 N 0.94 1.11 -0.77 3.43 0.00 -0.03 -2.07 119.26 121.86 2k0f h ALA 84 Ca -0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2k0f h ALA 84 Cb 1.71 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2k0f h ALA 84 CO 0.14 0.34 0.29 0.35 0.00 0.00 0.00 179.25 180.37 2k0f h PHE 85 N 1.02 1.20 0.00 0.00 3.57 -0.32 -2.03 116.94 120.37 2k0f h PHE 85 Ca 0.34 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2k0f h PHE 85 Cb 0.05 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.43 2k0f h PHE 85 CO -0.03 0.92 0.00 0.54 -2.23 0.00 0.00 178.31 177.51 2k0f n ARG 86 N -4.27 0.58 -0.02 1.11 1.74 0.86 -1.07 116.66 115.59 2k0f n ARG 86 Ca 0.07 0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 56.94 2k0f n ARG 86 Cb 0.20 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.01 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k0f h VAL 87 N 0.00 0.91 0.03 1.55 2.07 -0.69 -3.38 116.25 116.73 2k0f h VAL 87 Ca 0.00 -2.33 -0.00 0.00 0.82 0.00 0.00 66.70 65.19 2k0f h VAL 87 Cb 0.20 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2k0f h VAL 87 CO 0.00 0.66 -0.02 -0.26 0.02 0.00 0.00 177.57 177.97 2k0f h PHE 88 N -0.39 -0.04 -3.08 1.57 0.04 -1.31 -3.40 116.94 110.32 2k0f h PHE 88 Ca -0.34 -0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.83 2k0f h PHE 88 Cb 1.71 0.01 -0.11 0.00 2.20 0.00 0.00 35.95 39.76 2k0f h PHE 88 CO 0.11 0.26 0.70 0.34 -0.60 0.00 0.00 178.31 179.12 2k0f s ASP 89 N -5.45 6.33 0.16 2.17 2.15 -0.23 -4.69 116.67 117.11 2k0f s ASP 89 Ca -0.15 -0.31 0.06 0.00 0.43 0.00 0.00 52.55 52.58 2k0f s ASP 89 Cb 0.03 -2.47 -0.05 0.00 -0.30 0.00 0.00 42.92 40.13 2k0f s ASP 89 CO 0.66 -1.35 1.36 0.11 -0.17 0.00 0.00 175.17 175.78 2k0f h LYS 90 N 9.44 0.05 0.01 4.34 1.79 -1.84 -3.31 116.57 127.05 2k0f h LYS 90 Ca -0.26 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.07 2k0f h LYS 90 Cb 1.07 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.75 2k0f h LYS 90 CO 1.13 0.92 -0.30 -0.44 -1.08 0.00 0.00 179.45 179.69 2k0f h ASP 91 N 0.02 0.25 -2.07 0.86 3.32 -1.93 -3.49 116.42 113.38 2k0f h ASP 91 Ca -0.02 -0.80 0.00 0.00 0.02 0.00 0.00 57.03 56.23 2k0f h ASP 91 Cb 1.58 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.06 2k0f h ASP 91 CO 0.12 1.02 0.00 0.61 -1.72 0.00 0.00 179.24 179.27 2k0f n GLY 92 N 1.13 0.69 0.03 2.75 0.00 -1.25 -5.03 105.19 103.51 2k0f n GLY 92 Ca -0.10 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.03 2.33 0.00 1.61 6.94 -1.26 -5.01 115.26 118.83 2k0f n ASN 93 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2k0f n ASN 93 Cb 0.41 1.19 0.00 0.00 -2.36 0.00 0.00 39.78 39.03 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 2.06 0.86 2.95 4.83 0.00 -1.26 -5.11 105.19 109.51 2k0f n GLY 94 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.67 -0.24 -0.15 1.61 1.51 -1.26 -4.43 117.35 112.71 2k0f s TYR 95 Ca 0.00 0.65 -0.12 0.00 -1.01 0.00 0.00 57.07 56.60 2k0f s TYR 95 Cb 0.00 -0.09 -0.05 0.00 -0.11 0.00 0.00 41.96 41.72 2k0f s TYR 95 CO 0.00 -0.23 0.24 0.42 -1.11 0.00 0.00 175.55 174.86 2k0f s ILE 96 N 1.62 5.34 0.42 2.71 1.01 -0.57 -4.85 121.20 126.88 2k0f s ILE 96 Ca -0.05 0.43 -0.02 0.00 0.00 0.00 0.00 60.65 61.01 2k0f s ILE 96 Cb -0.11 -3.56 0.09 0.00 0.01 0.00 0.00 42.46 38.88 2k0f s ILE 96 CO -0.07 0.45 0.57 -1.54 0.00 0.00 0.00 174.94 174.35 2k0f n SER 97 N 3.19 0.62 0.15 3.58 3.41 -1.26 -0.80 113.62 122.50 2k0f n SER 97 Ca -0.14 -1.56 0.03 0.00 -0.26 0.00 0.00 58.87 56.94 2k0f n SER 97 Cb 0.52 -0.38 0.06 0.00 -0.26 0.00 0.00 64.21 64.15 2k0f n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k0f h ALA 98 N -0.76 0.70 0.08 7.33 0.00 -1.99 -3.26 119.26 121.37 2k0f h ALA 98 Ca -0.19 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.11 2k0f h ALA 98 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k0f h ALA 98 CO 0.19 0.61 -0.84 0.00 0.00 0.00 0.00 179.25 179.20 2k0f h ALA 99 N 1.52 0.05 -0.57 0.00 0.00 -1.98 -2.36 119.26 115.92 2k0f h ALA 99 Ca -0.00 -0.82 0.10 0.00 0.00 0.00 0.00 54.91 54.19 2k0f h ALA 99 Cb 1.33 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 19.30 2k0f h ALA 99 CO 0.06 0.45 0.12 0.93 0.00 0.00 0.00 179.25 180.82 2k0f h GLU 100 N -0.58 0.25 -0.81 0.00 5.08 -1.88 0.12 114.58 116.76 2k0f h GLU 100 Ca -0.18 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.27 2k0f h GLU 100 Cb 1.48 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 30.55 2k0f h GLU 100 CO 0.05 0.17 -0.48 1.25 -1.00 0.00 0.00 179.01 178.99 2k0f h LEU 101 N 0.26 -1.73 -0.91 1.33 5.85 -1.68 -1.59 115.31 116.83 2k0f h LEU 101 Ca 0.29 0.29 0.02 0.00 0.84 0.00 0.00 57.88 59.32 2k0f h LEU 101 Cb 0.41 0.80 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 2k0f h LEU 101 CO -0.37 -0.29 0.60 0.03 -0.34 0.00 0.00 178.44 178.06 2k0f h ARG 102 N -0.11 1.16 0.59 1.25 3.08 -0.67 -1.04 114.38 118.64 2k0f h ARG 102 Ca 0.21 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2k0f h ARG 102 Cb 0.52 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2k0f h ARG 102 CO -0.84 0.77 -0.42 0.45 -1.07 0.00 0.00 179.97 178.85 2k0f h HIS 103 N 1.19 -1.14 -0.24 3.04 3.86 -0.45 0.10 115.15 121.52 2k0f h HIS 103 Ca 0.35 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.59 2k0f h HIS 103 Cb -0.07 0.42 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 2k0f h HIS 103 CO -0.01 -0.62 0.02 0.28 0.86 0.00 0.00 177.93 178.46 2k0f h VAL 104 N -0.98 0.85 -0.25 2.45 2.07 -1.17 -1.82 116.25 117.40 2k0f h VAL 104 Ca -0.07 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2k0f h VAL 104 Cb 0.82 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2k0f h VAL 104 CO 0.03 0.02 0.08 0.24 0.02 0.00 0.00 177.57 177.97 2k0f h MET 105 N 0.10 0.35 -0.39 1.57 2.07 -1.19 0.15 114.93 117.59 2k0f h MET 105 Ca 0.11 -0.04 0.08 0.00 -2.07 0.00 0.00 59.70 57.79 2k0f h MET 105 Cb 0.13 -0.07 -0.08 0.00 -1.87 0.00 0.00 31.60 29.71 2k0f h MET 105 CO -0.18 0.31 -0.20 1.15 1.07 0.00 0.00 176.91 179.06 2k0f h THR 106 N 0.35 0.42 -0.28 2.22 2.02 -0.70 0.71 112.91 117.65 2k0f h THR 106 Ca 0.09 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 2k0f h THR 106 Cb 0.10 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2k0f h THR 106 CO -0.01 0.00 0.04 0.78 0.37 0.00 0.00 175.52 176.70 2k0f h ASN 107 N -0.13 0.38 0.50 4.18 -0.26 -0.51 -2.53 115.58 117.21 2k0f h ASN 107 Ca 0.19 -0.05 -0.30 0.00 -0.56 0.00 0.00 56.30 55.58 2k0f h ASN 107 Cb 0.42 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.58 2k0f h ASN 107 CO -0.47 0.42 -1.48 -0.07 -1.06 0.00 0.00 177.43 174.77 2k0f h LEU 108 N 0.41 0.35 0.00 1.61 3.38 -0.92 -3.41 115.31 116.73 2k0f h LEU 108 Ca 0.10 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2k0f h LEU 108 Cb 0.21 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2k0f h LEU 108 CO 0.00 1.39 0.00 0.61 0.09 0.00 0.00 178.44 180.53 2k0f n GLY 109 N 1.63 1.10 3.79 0.83 0.00 -0.57 -4.93 105.19 107.04 2k0f n GLY 109 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 3.98 -0.92 1.61 0.41 0.14 -4.99 118.70 118.94 2k0f s GLU 110 Ca 0.00 0.18 -0.08 0.00 -0.41 0.00 0.00 54.97 54.66 2k0f s GLU 110 Cb 0.00 -3.31 0.23 0.00 -1.78 0.00 0.00 34.13 29.27 2k0f s GLU 110 CO 0.00 0.50 0.85 0.21 -0.49 0.00 0.00 175.26 176.33 2k0f s LYS 111 N -0.35 3.59 0.28 1.61 2.47 -1.26 -4.05 119.74 122.04 2k0f s LYS 111 Ca 0.19 -2.96 -0.25 0.00 -1.56 0.00 0.00 55.97 51.39 2k0f s LYS 111 Cb -0.14 -4.26 -0.09 0.00 -1.46 0.00 0.00 37.83 31.88 2k0f s LYS 111 CO 0.07 -1.25 0.88 -0.51 0.16 0.00 0.00 175.35 174.71 2k0f s LEU 112 N -0.78 4.38 0.28 5.43 1.43 -1.26 -5.05 118.68 123.12 2k0f s LEU 112 Ca 0.25 1.74 -0.15 0.00 -1.03 0.00 0.00 54.13 54.94 2k0f s LEU 112 Cb -0.11 -3.84 -0.08 0.00 0.03 0.00 0.00 46.19 42.19 2k0f s LEU 112 CO -0.09 -0.01 0.70 0.42 0.23 0.00 0.00 176.35 177.60 2k0f s THR 113 N -1.53 4.69 -0.97 5.49 -4.23 -1.26 -4.96 115.64 112.87 2k0f s THR 113 Ca 0.47 0.97 0.10 0.00 -1.18 0.00 0.00 61.69 62.05 2k0f s THR 113 Cb -0.19 -3.68 0.08 0.00 1.34 0.00 0.00 72.50 70.05 2k0f s THR 113 CO 0.24 -0.05 1.31 0.47 -0.54 0.00 0.00 174.62 176.05 2k0f n ASP 114 N 0.01 0.03 -0.11 3.99 8.00 -1.26 -0.16 116.55 127.04 2k0f n ASP 114 Ca 0.01 0.51 -0.10 0.00 0.71 0.00 0.00 54.79 55.92 2k0f n ASP 114 Cb 0.52 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 41.09 2k0f n ASP 114 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2k0f h GLU 115 N 0.00 0.57 -0.04 -1.24 4.81 -1.99 -2.56 114.58 114.12 2k0f h GLU 115 Ca 0.00 -0.16 -0.15 0.00 -0.13 0.00 0.00 59.36 58.91 2k0f h GLU 115 Cb 0.16 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2k0f h GLU 115 CO 0.00 0.67 -0.67 1.49 -0.73 0.00 0.00 179.01 179.77 2k0f h GLU 116 N 0.39 0.19 -0.08 1.92 4.81 -0.94 0.37 114.58 121.24 2k0f h GLU 116 Ca 0.10 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 116 Cb 0.39 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 2k0f h GLU 116 CO 0.01 0.79 0.02 0.28 -0.73 0.00 0.00 179.01 179.38 2k0f h VAL 117 N 0.13 1.19 -0.28 0.32 2.07 -1.52 -1.20 116.25 116.96 2k0f h VAL 117 Ca -0.01 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2k0f h VAL 117 Cb 1.20 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2k0f h VAL 117 CO 0.10 0.17 0.13 -0.78 0.02 0.00 0.00 177.57 177.21 2k0f h ASP 118 N -0.08 0.38 -0.41 0.57 3.58 -1.38 -1.75 116.42 117.33 2k0f h ASP 118 Ca 0.02 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 2k0f h ASP 118 Cb 0.25 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2k0f h ASP 118 CO 0.00 0.41 0.24 -0.08 -2.88 0.00 0.00 179.24 176.93 2k0f h GLU 119 N 0.32 0.59 0.10 0.28 4.81 -0.77 -1.65 114.58 118.26 2k0f h GLU 119 Ca 0.10 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2k0f h GLU 119 Cb 0.14 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2k0f h GLU 119 CO -0.01 0.44 -0.05 0.52 -0.73 0.00 0.00 179.01 179.18 2k0f h MET 120 N 0.60 -0.13 -0.07 1.92 2.86 -1.02 -3.14 114.93 115.94 2k0f h MET 120 Ca 0.16 0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.68 2k0f h MET 120 Cb 0.02 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2k0f h MET 120 CO -0.03 0.33 -0.52 0.97 1.06 0.00 0.00 176.91 178.72 2k0f h ILE 121 N -0.65 1.36 0.00 -1.22 2.10 -1.08 -2.71 117.51 115.31 2k0f h ILE 121 Ca -0.01 -1.79 0.00 0.00 1.08 0.00 0.00 64.86 64.13 2k0f h ILE 121 Cb 0.52 1.88 0.00 0.00 -1.09 0.00 0.00 36.82 38.13 2k0f h ILE 121 CO 0.02 0.53 0.00 0.08 -1.08 0.00 0.00 178.15 177.70 2k0f h ARG 122 N 0.16 0.00 0.00 2.19 0.11 -1.47 -0.26 114.38 115.11 2k0f h ARG 122 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k0f h ARG 122 Cb 0.98 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.06 2k0f h ARG 122 CO 0.08 0.00 -0.58 1.49 0.10 0.00 0.00 179.97 181.06 2k0f h GLU 123 N 0.00 0.00 0.00 0.08 4.81 -1.44 -3.38 114.58 114.65 2k0f h GLU 123 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2k0f h GLU 123 Cb 0.70 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2k0f h GLU 123 CO 0.00 0.00 -0.44 0.00 -0.73 0.00 0.00 179.01 177.84 2k0f h ALA 124 N 2.30 0.05 -2.14 2.92 0.00 -1.13 -3.46 119.26 117.81 2k0f h ALA 124 Ca 0.00 -0.49 -0.56 0.00 0.00 0.00 0.00 54.91 53.86 2k0f h ALA 124 Cb 0.85 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k0f h ALA 124 CO 0.00 0.34 1.29 0.34 0.00 0.00 0.00 179.25 181.22 2k0f s ASP 125 N -5.94 6.09 0.00 0.00 2.15 -0.15 -4.82 116.67 114.01 2k0f s ASP 125 Ca -0.14 2.09 0.00 0.00 0.43 0.00 0.00 52.55 54.94 2k0f s ASP 125 Cb 0.02 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 2k0f s ASP 125 CO 0.28 -1.42 0.00 -0.38 -0.17 0.00 0.00 175.17 173.48 2k0f n ILE 126 N 6.54 0.00 0.00 4.11 5.41 -1.26 -4.75 119.36 129.41 2k0f n ILE 126 Ca 0.23 0.38 0.00 0.00 1.00 0.00 0.00 62.75 64.35 2k0f n ILE 126 Cb 0.44 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.21 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 -1.69 0.00 0.00 4.38 5.68 -1.26 -4.94 116.55 118.72 2k0f n ASP 127 Ca 0.00 0.94 0.00 0.00 -0.50 0.00 0.00 54.79 55.23 2k0f n ASP 127 Cb 0.00 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 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 -0.97 -0.25 0.19 6.12 0.00 -1.26 -5.01 105.19 104.02 2k0f n GLY 128 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.00 0.00 0.00 1.61 3.04 -1.96 -3.48 116.42 115.63 2k0f h ASP 129 Ca 0.00 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 129 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 2k0f n GLY 130 N 1.15 0.70 3.31 7.15 0.00 -1.26 -5.06 105.19 111.18 2k0f n GLY 130 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.37 2.00 -0.35 1.61 -0.21 -1.26 -4.58 119.66 116.50 2k0f s GLN 131 Ca 0.00 -0.96 -0.20 0.00 0.02 0.00 0.00 55.36 54.21 2k0f s GLN 131 Cb 0.00 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 32.02 2k0f s GLN 131 CO 0.00 0.54 0.64 0.08 -2.12 0.00 0.00 175.29 174.43 2k0f s VAL 132 N -0.65 4.89 0.54 1.09 1.01 0.02 -4.82 120.40 122.48 2k0f s VAL 132 Ca 0.10 0.64 0.04 0.00 0.00 0.00 0.00 61.98 62.76 2k0f s VAL 132 Cb -0.10 -4.07 0.10 0.00 0.00 0.00 0.00 36.38 32.31 2k0f s VAL 132 CO -0.00 -0.29 0.75 -0.46 0.00 0.00 0.00 175.10 175.09 2k0f n ASN 133 N 6.03 1.46 -0.15 3.32 0.23 -1.26 -1.51 115.26 123.38 2k0f n ASN 133 Ca -0.01 -2.13 -0.09 0.00 -0.53 0.00 0.00 54.58 51.83 2k0f n ASN 133 Cb 0.49 -0.44 -0.00 0.00 -2.08 0.00 0.00 39.78 37.74 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 -0.23 0.64 0.00 -2.53 3.20 -1.98 -1.84 116.97 114.24 2k0f h TYR 134 Ca -0.25 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.53 2k0f h TYR 134 Cb 1.03 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 2k0f h TYR 134 CO 0.00 0.55 -0.22 0.93 -1.64 0.00 0.00 178.16 177.78 2k0f h GLU 135 N 0.55 0.00 0.01 1.82 5.08 -1.97 -0.63 114.58 119.43 2k0f h GLU 135 Ca 0.14 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.31 2k0f h GLU 135 Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2k0f h GLU 135 CO -0.01 0.22 -0.87 0.93 -1.00 0.00 0.00 179.01 178.28 2k0f h GLU 136 N 0.00 0.11 -0.18 2.33 5.08 -1.73 -3.05 114.58 117.14 2k0f h GLU 136 Ca -0.00 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 2k0f h GLU 136 Cb 0.44 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2k0f h GLU 136 CO 0.03 0.91 -0.20 0.35 -1.00 0.00 0.00 179.01 179.10 2k0f h PHE 137 N 0.06 0.55 -0.54 4.33 3.04 -1.03 -2.84 116.94 120.50 2k0f h PHE 137 Ca -0.03 -0.17 0.03 0.00 3.98 0.00 0.00 57.97 61.78 2k0f h PHE 137 Cb 1.51 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 39.88 2k0f h PHE 137 CO 0.02 0.83 0.36 0.28 -2.02 0.00 0.00 178.31 177.78 2k0f h VAL 138 N 0.10 1.07 0.00 1.41 2.07 -1.17 0.52 116.25 120.25 2k0f h VAL 138 Ca 0.03 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 2k0f h VAL 138 Cb 0.75 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2k0f h VAL 138 CO 0.05 0.12 -0.30 -0.61 0.02 0.00 0.00 177.57 176.84 2k0f h GLN 139 N 0.63 0.00 0.00 1.57 5.75 -1.52 -3.33 115.11 118.21 2k0f h GLN 139 Ca 0.22 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.66 2k0f h GLN 139 Cb 0.09 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 2k0f h GLN 139 CO -0.06 0.30 -0.35 1.98 -2.65 0.00 0.00 178.83 178.06 2k0f h MET 140 N 0.00 0.00 -4.19 1.69 4.05 -0.73 -3.44 114.93 112.31 2k0f h MET 140 Ca -0.00 0.00 -0.71 0.00 -0.28 0.00 0.00 59.70 58.70 2k0f h MET 140 Cb 0.68 0.00 -0.32 0.00 -0.80 0.00 0.00 31.60 31.16 2k0f h MET 140 CO 0.04 0.76 -0.40 -1.64 0.23 0.00 0.00 176.91 175.90 2k0f s MET 141 N -2.15 2.41 0.00 0.39 -1.94 -0.14 -5.10 119.30 112.77 2k0f s MET 141 Ca -0.18 -1.98 0.32 0.00 -1.71 0.00 0.00 55.69 52.14 2k0f s MET 141 Cb 0.00 -3.81 1.88 0.00 2.01 0.00 0.00 34.83 34.91 2k0f s MET 141 CO 0.52 -1.16 2.20 0.25 -0.01 0.00 0.00 175.02 176.82