#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 -0.68 0.00 -0.78 4.39 -2.05 -2.97 114.58 112.50 2k0f h GLU 2 Ca 0.00 0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.63 2k0f h GLU 2 Cb 0.00 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2k0f h GLU 2 CO 0.00 -0.45 -0.53 0.93 -1.16 0.00 0.00 179.01 177.79 2k0f h GLU 3 N -0.70 0.00 -0.01 2.33 3.07 -2.06 -1.79 114.58 115.42 2k0f h GLU 3 Ca -0.05 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 2k0f h GLU 3 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 2k0f h GLU 3 CO 0.05 0.53 -0.04 0.37 -1.40 0.00 0.00 179.01 178.53 2k0f h GLN 4 N 0.00 0.04 -0.84 2.33 4.15 -2.00 -2.85 115.11 115.94 2k0f h GLN 4 Ca -0.01 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.40 2k0f h GLN 4 Cb 1.17 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.82 2k0f h GLN 4 CO 0.07 0.69 0.55 0.82 -1.93 0.00 0.00 178.83 179.04 2k0f h ILE 5 N -0.60 1.18 -0.03 2.39 1.08 -1.48 -2.62 117.51 117.44 2k0f h ILE 5 Ca -0.00 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 2k0f h ILE 5 Cb 0.70 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 2k0f h ILE 5 CO 0.01 0.20 -0.05 0.00 -0.69 0.00 0.00 178.15 177.61 2k0f h ALA 6 N 1.49 -0.41 -0.57 1.87 0.00 -1.37 0.56 119.26 120.84 2k0f h ALA 6 Ca 0.32 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.34 2k0f h ALA 6 Cb -0.06 0.68 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2k0f h ALA 6 CO -0.08 -0.44 0.39 1.05 0.00 0.00 0.00 179.25 180.17 2k0f h GLU 7 N -0.05 0.26 -0.10 0.00 4.11 -1.22 -0.25 114.58 117.32 2k0f h GLU 7 Ca 0.00 -0.02 -0.13 0.00 0.07 0.00 0.00 59.36 59.28 2k0f h GLU 7 Cb 0.06 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2k0f h GLU 7 CO -0.05 0.17 -0.46 0.74 0.07 0.00 0.00 179.01 179.48 2k0f h PHE 8 N 0.27 0.66 -0.90 2.06 0.04 -1.57 -2.04 116.94 115.46 2k0f h PHE 8 Ca 0.27 -0.29 0.14 0.00 2.80 0.00 0.00 57.97 60.89 2k0f h PHE 8 Cb 0.70 -0.10 -0.09 0.00 2.20 0.00 0.00 35.95 38.65 2k0f h PHE 8 CO -0.00 1.05 0.51 -0.22 -0.60 0.00 0.00 178.31 179.06 2k0f h LYS 9 N 0.08 0.74 -0.13 1.51 3.11 -0.15 0.25 116.57 121.99 2k0f h LYS 9 Ca -0.03 -0.04 -0.16 0.00 -2.81 0.00 0.00 60.65 57.61 2k0f h LYS 9 Cb 1.10 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 32.16 2k0f h LYS 9 CO 0.10 0.49 -0.60 0.93 -2.81 0.00 0.00 179.45 177.55 2k0f h GLU 10 N 0.76 0.43 -0.38 1.90 5.08 -1.06 0.07 114.58 121.37 2k0f h GLU 10 Ca 0.48 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 2k0f h GLU 10 Cb 0.61 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 2k0f h GLU 10 CO -0.32 0.90 0.15 0.00 -1.00 0.00 0.00 179.01 178.74 2k0f h ALA 11 N 1.03 0.45 -0.42 3.43 0.00 -1.01 -2.99 119.26 119.75 2k0f h ALA 11 Ca -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k0f h ALA 11 Cb 1.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2k0f h ALA 11 CO 0.11 -0.24 0.20 0.35 0.00 0.00 0.00 179.25 179.67 2k0f h PHE 12 N 0.31 0.61 0.00 0.00 3.04 -0.70 -2.62 116.94 117.58 2k0f h PHE 12 Ca 0.17 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.09 2k0f h PHE 12 Cb 0.13 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.45 2k0f h PHE 12 CO -0.13 0.50 0.00 0.43 -2.02 0.00 0.00 178.31 177.09 2k0f n SER 13 N -4.67 0.00 -0.10 0.41 7.64 -0.01 -1.06 113.62 115.83 2k0f n SER 13 Ca 0.00 -0.16 -0.05 0.00 1.01 0.00 0.00 58.87 59.67 2k0f n SER 13 Cb 0.11 -0.16 0.14 0.00 -1.01 0.00 0.00 64.21 63.30 2k0f n SER 13 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k0f h LEU 14 N 0.00 0.76 0.08 -3.43 3.38 -1.31 -3.36 115.31 111.43 2k0f h LEU 14 Ca 0.00 -0.20 -0.34 0.00 0.09 0.00 0.00 57.88 57.42 2k0f h LEU 14 Cb 0.08 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2k0f h LEU 14 CO 0.00 0.86 -1.91 0.49 0.09 0.00 0.00 178.44 177.97 2k0f n PHE 15 N -4.19 1.14 -3.08 1.13 3.01 -0.27 -4.72 117.46 110.48 2k0f n PHE 15 Ca 0.02 0.29 -0.45 0.00 1.01 0.00 0.00 57.45 58.33 2k0f n PHE 15 Cb 0.33 -1.17 -0.04 0.00 -0.01 0.00 0.00 39.48 38.59 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 -6.68 6.23 0.28 4.37 2.15 -0.22 -4.77 116.67 118.03 2k0f s ASP 16 Ca -0.16 -1.47 0.25 0.00 0.43 0.00 0.00 52.55 51.60 2k0f s ASP 16 Cb 0.07 -2.32 0.95 0.00 -0.30 0.00 0.00 42.92 41.32 2k0f s ASP 16 CO 0.79 -1.13 1.75 0.11 -0.17 0.00 0.00 175.17 176.52 2k0f h LYS 17 N 9.16 0.00 0.06 4.34 1.79 -1.84 -2.93 116.57 127.15 2k0f h LYS 17 Ca -0.25 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.22 2k0f h LYS 17 Cb 1.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 2k0f h LYS 17 CO 1.10 0.00 -0.03 -0.44 -1.08 0.00 0.00 179.45 179.00 2k0f h ASP 18 N 0.00 -0.07 -0.07 0.86 3.32 -1.92 -3.49 116.42 115.04 2k0f h ASP 18 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k0f h ASP 18 Cb 0.51 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2k0f h ASP 18 CO 0.00 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.23 2k0f n GLY 19 N 1.38 0.82 0.00 2.75 0.00 -1.11 -5.03 105.19 104.01 2k0f n GLY 19 Ca -0.01 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 0.03 0.72 0.00 1.61 5.75 -1.26 -4.96 116.55 118.45 2k0f n ASP 20 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 54.79 54.07 2k0f n ASP 20 Cb 0.03 1.28 0.00 0.00 -1.03 0.00 0.00 41.12 41.40 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 1.43 1.05 2.96 6.12 0.00 -1.26 -5.10 105.19 110.39 2k0f n GLY 21 Ca 0.02 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 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 0.51 -0.34 2.61 -4.23 -1.26 -3.64 115.64 107.29 2k0f s THR 22 Ca 0.00 -0.24 -0.18 0.00 -1.18 0.00 0.00 61.69 60.09 2k0f s THR 22 Cb 0.00 -0.46 -0.01 0.00 1.34 0.00 0.00 72.50 73.38 2k0f s THR 22 CO 0.00 0.16 0.50 -0.63 -0.54 0.00 0.00 174.62 174.11 2k0f s ILE 23 N 0.08 5.03 0.57 2.99 1.01 -0.02 -4.79 121.20 126.07 2k0f s ILE 23 Ca -0.01 0.40 -0.04 0.00 0.00 0.00 0.00 60.65 61.01 2k0f s ILE 23 Cb -0.05 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.50 2k0f s ILE 23 CO -0.00 -0.16 0.85 0.42 0.00 0.00 0.00 174.94 176.05 2k0f s THR 24 N 2.36 3.44 0.44 2.92 -4.23 -1.26 -0.99 115.64 118.32 2k0f s THR 24 Ca 0.19 -0.23 0.10 0.00 -1.18 0.00 0.00 61.69 60.57 2k0f s THR 24 Cb -0.16 -3.35 0.27 0.00 1.34 0.00 0.00 72.50 70.61 2k0f s THR 24 CO 0.13 -0.32 2.08 0.71 -0.54 0.00 0.00 174.62 176.68 2k0f h THR 25 N -0.07 1.06 -0.04 3.99 1.35 -1.89 0.11 112.91 117.42 2k0f h THR 25 Ca -0.45 -0.13 -0.10 0.00 -0.55 0.00 0.00 66.41 65.18 2k0f h THR 25 Cb 1.27 0.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 2k0f h THR 25 CO 0.59 0.07 -0.43 0.07 -0.25 0.00 0.00 175.52 175.57 2k0f h LYS 26 N 0.38 0.10 -0.10 4.72 2.10 -1.97 0.26 116.57 122.05 2k0f h LYS 26 Ca 0.12 -0.05 -0.18 0.00 -2.00 0.00 0.00 60.65 58.54 2k0f h LYS 26 Cb 0.00 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 2k0f h LYS 26 CO -0.03 0.51 -0.68 0.93 -2.00 0.00 0.00 179.45 178.19 2k0f h GLU 27 N 0.08 0.43 -0.01 0.07 5.08 -1.73 0.29 114.58 118.80 2k0f h GLU 27 Ca 0.00 -0.33 -0.21 0.00 -1.00 0.00 0.00 59.36 57.83 2k0f h GLU 27 Cb 0.80 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2k0f h GLU 27 CO 0.06 0.95 -0.88 1.25 -1.00 0.00 0.00 179.01 179.40 2k0f h LEU 28 N 0.31 0.40 -0.31 1.33 5.85 -0.52 -2.88 115.31 119.49 2k0f h LEU 28 Ca -0.02 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 2k0f h LEU 28 Cb 1.24 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2k0f h LEU 28 CO 0.12 1.10 0.01 1.23 -0.34 0.00 0.00 178.44 180.56 2k0f h GLY 29 N 1.50 0.58 0.79 3.75 0.00 -0.32 -1.97 103.07 107.39 2k0f h GLY 29 Ca -0.06 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 46.89 2k0f h GLY 29 CO 0.14 0.39 0.21 -0.84 0.00 0.00 0.00 176.54 176.44 2k0f h THR 30 N 0.34 0.97 0.29 4.70 2.02 -0.91 -0.98 112.91 119.35 2k0f h THR 30 Ca 0.09 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 2k0f h THR 30 Cb 0.42 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2k0f h THR 30 CO 0.01 0.08 -0.27 0.58 0.37 0.00 0.00 175.52 176.29 2k0f h VAL 31 N 0.43 0.00 -0.34 3.16 2.07 -1.39 -2.77 116.25 117.40 2k0f h VAL 31 Ca 0.18 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 2k0f h VAL 31 Cb 0.08 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.82 2k0f h VAL 31 CO -0.13 0.00 0.11 0.24 0.02 0.00 0.00 177.57 177.81 2k0f h MET 32 N -0.56 0.24 0.00 1.57 2.86 -1.18 -1.78 114.93 116.08 2k0f h MET 32 Ca -0.04 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2k0f h MET 32 Cb 0.48 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2k0f h MET 32 CO -0.02 0.16 0.00 0.00 1.06 0.00 0.00 176.91 178.11 2k0f h ARG 33 N 0.25 0.00 0.17 1.72 3.08 -1.19 -0.06 114.38 118.35 2k0f h ARG 33 Ca 0.16 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.86 2k0f h ARG 33 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2k0f h ARG 33 CO -0.17 0.00 -1.76 0.77 -1.07 0.00 0.00 179.97 177.73 2k0f h SER 34 N 0.00 0.55 -0.07 7.04 0.02 -1.06 -3.39 113.55 116.63 2k0f h SER 34 Ca 0.00 -0.87 -0.02 0.00 -0.84 0.00 0.00 61.79 60.06 2k0f h SER 34 Cb 0.36 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2k0f h SER 34 CO 0.00 1.74 -0.03 -0.07 -1.14 0.00 0.00 176.83 177.33 2k0f h LEU 35 N 0.10 0.16 0.00 5.07 3.38 -1.22 -3.45 115.31 119.34 2k0f h LEU 35 Ca -0.34 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.22 2k0f h LEU 35 Cb 2.08 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.79 2k0f h LEU 35 CO 0.16 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.83 2k0f n GLY 36 N -0.01 -0.16 3.22 0.83 0.00 -0.13 -5.11 105.19 103.84 2k0f n GLY 36 Ca -0.07 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.39 -0.61 1.61 -1.52 -0.66 -4.99 119.66 113.89 2k0f s GLN 37 Ca 0.00 0.45 0.05 0.00 -1.95 0.00 0.00 55.36 53.91 2k0f s GLN 37 Cb 0.00 0.19 0.17 0.00 -0.22 0.00 0.00 33.01 33.15 2k0f s GLN 37 CO 0.00 -0.05 0.46 0.09 -0.25 0.00 0.00 175.29 175.54 2k0f n ASN 38 N 2.87 1.90 -4.78 5.90 4.13 -1.26 -3.37 115.26 120.66 2k0f n ASN 38 Ca -0.13 -2.95 -0.30 0.00 1.68 0.00 0.00 54.58 52.88 2k0f n ASN 38 Cb 0.58 -0.69 0.10 0.00 -1.54 0.00 0.00 39.78 38.23 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2k0f s PRO 39 N -1.02 1.96 1.15 3.52 0.04 -1.26 -5.10 135.00 134.29 2k0f s PRO 39 Ca 0.28 0.73 -0.19 0.00 0.04 0.00 0.00 61.00 61.86 2k0f s PRO 39 Cb -0.01 -1.90 0.28 0.00 0.04 0.00 0.00 34.50 32.91 2k0f s PRO 39 CO -0.17 -1.73 1.19 0.95 0.04 0.00 0.00 177.00 177.27 2k0f s THR 40 N -3.08 1.68 0.16 1.26 -4.23 -1.26 -4.95 115.64 105.22 2k0f s THR 40 Ca 0.61 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.16 2k0f s THR 40 Cb -0.15 -2.66 -0.16 0.00 1.34 0.00 0.00 72.50 70.87 2k0f s THR 40 CO 0.55 0.00 1.36 -0.33 -0.54 0.00 0.00 174.62 175.66 2k0f h GLU 41 N -2.38 0.12 -0.34 3.99 4.39 -1.99 -2.47 114.58 115.90 2k0f h GLU 41 Ca -0.43 -0.14 -0.16 0.00 0.34 0.00 0.00 59.36 58.97 2k0f h GLU 41 Cb 1.26 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 2k0f h GLU 41 CO 0.31 0.95 -0.40 0.00 -1.16 0.00 0.00 179.01 178.70 2k0f h ALA 42 N 1.00 0.64 -0.14 3.43 0.00 -2.00 -3.15 119.26 119.05 2k0f h ALA 42 Ca -0.04 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 2k0f h ALA 42 Cb 1.57 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2k0f h ALA 42 CO 0.13 0.67 -0.52 0.93 0.00 0.00 0.00 179.25 180.46 2k0f h GLU 43 N 0.68 0.38 0.00 0.00 5.08 -1.87 -0.71 114.58 118.14 2k0f h GLU 43 Ca 0.05 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2k0f h GLU 43 Cb 0.98 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2k0f h GLU 43 CO 0.09 0.81 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.73 2k0f h LEU 44 N 0.30 0.00 0.10 1.33 3.38 -1.48 -2.33 115.31 116.61 2k0f h LEU 44 Ca 0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.72 2k0f h LEU 44 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 2k0f h LEU 44 CO 0.09 0.11 -1.22 1.56 0.09 0.00 0.00 178.44 179.07 2k0f h GLN 45 N 0.00 0.21 -0.42 1.13 4.20 -1.30 -3.32 115.11 115.60 2k0f h GLN 45 Ca -0.00 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.33 2k0f h GLN 45 Cb 0.34 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 2k0f h GLN 45 CO 0.01 1.16 0.18 0.22 -0.67 0.00 0.00 178.83 179.73 2k0f h ASP 46 N 0.06 0.57 -0.21 1.46 3.58 -0.59 0.37 116.42 121.66 2k0f h ASP 46 Ca -0.12 -0.16 0.02 0.00 0.42 0.00 0.00 57.03 57.19 2k0f h ASP 46 Cb 1.93 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.81 2k0f h ASP 46 CO 0.18 0.57 -0.12 0.23 -2.88 0.00 0.00 179.24 177.22 2k0f n MET 47 N -4.64 -0.09 -0.11 0.28 2.81 -1.17 -1.84 117.12 112.36 2k0f n MET 47 Ca 0.00 0.89 -0.10 0.00 -1.81 0.00 0.00 57.70 56.68 2k0f n MET 47 Cb 0.14 -1.32 -0.02 0.00 -0.71 0.00 0.00 33.22 31.30 2k0f n MET 47 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2k0f h ILE 48 N 0.00 1.21 -0.81 2.02 2.04 -1.56 -3.20 117.51 117.20 2k0f h ILE 48 Ca 0.03 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.23 2k0f h ILE 48 Cb 0.09 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 2k0f h ILE 48 CO -0.19 0.23 0.54 0.78 0.00 0.00 0.00 178.15 179.51 2k0f h ASN 49 N 0.36 0.88 -0.41 1.72 2.35 -0.25 0.02 115.58 120.25 2k0f h ASN 49 Ca 0.10 -0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.91 2k0f h ASN 49 Cb 0.27 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2k0f h ASN 49 CO -0.00 0.61 0.28 -0.08 -1.65 0.00 0.00 177.43 176.59 2k0f h GLU 50 N 1.02 0.23 0.00 0.81 4.81 -1.35 -3.01 114.58 117.10 2k0f h GLU 50 Ca 0.32 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2k0f h GLU 50 Cb 0.01 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2k0f h GLU 50 CO -0.09 0.15 -0.96 1.33 -0.73 0.00 0.00 179.01 178.71 2k0f n VAL 51 N -4.47 0.00 -1.97 0.32 0.24 -0.89 -4.97 118.33 106.59 2k0f n VAL 51 Ca 0.06 -0.18 -0.43 0.00 -2.04 0.00 0.00 64.34 61.75 2k0f n VAL 51 Cb 0.31 0.81 -0.03 0.00 -1.47 0.00 0.00 33.84 33.46 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 -2.79 6.31 -0.18 -1.34 2.15 -0.06 -4.90 116.67 115.87 2k0f s ASP 52 Ca 0.03 1.88 -0.17 0.00 0.43 0.00 0.00 52.55 54.72 2k0f s ASP 52 Cb 0.12 -2.53 -0.14 0.00 -0.30 0.00 0.00 42.92 40.07 2k0f s ASP 52 CO 0.65 -1.27 0.14 0.00 -0.17 0.00 0.00 175.17 174.52 2k0f h ALA 53 N 11.10 0.15 0.88 3.66 0.00 -1.91 -3.42 119.26 129.73 2k0f h ALA 53 Ca -0.38 -0.87 -0.04 0.00 0.00 0.00 0.00 54.91 53.62 2k0f h ALA 53 Cb 1.18 0.56 0.01 0.00 0.00 0.00 0.00 17.79 19.54 2k0f h ALA 53 CO 0.98 0.54 -0.42 0.38 0.00 0.00 0.00 179.25 180.73 2k0f h ASP 54 N -1.00 -1.00 0.00 0.00 3.04 -1.96 -3.48 116.42 112.01 2k0f h ASP 54 Ca -0.20 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.63 2k0f h ASP 54 Cb 0.97 0.26 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 2k0f h ASP 54 CO -0.12 -0.70 0.00 0.61 -2.04 0.00 0.00 179.24 177.00 2k0f n GLY 55 N -1.46 0.85 0.22 7.15 0.00 -1.26 -5.03 105.19 105.67 2k0f n GLY 55 Ca -0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.96 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.00 0.00 1.61 7.08 -1.95 -3.47 115.58 118.86 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.25 0.00 0.61 -2.08 0.00 0.00 177.43 176.21 2k0f n GLY 57 N 0.09 0.53 2.92 9.14 0.00 -1.26 -5.05 105.19 111.55 2k0f n GLY 57 Ca -0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 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 0.16 -0.30 2.61 -4.23 -1.26 -4.64 115.64 105.98 2k0f s THR 58 Ca 0.00 -0.23 -0.26 0.00 -1.18 0.00 0.00 61.69 60.02 2k0f s THR 58 Cb 0.00 -0.17 0.01 0.00 1.34 0.00 0.00 72.50 73.68 2k0f s THR 58 CO 0.00 -0.05 0.91 -0.63 -0.54 0.00 0.00 174.62 174.31 2k0f s ILE 59 N -0.29 4.69 0.73 2.99 1.01 -0.16 -4.84 121.20 125.34 2k0f s ILE 59 Ca -0.02 1.46 -0.09 0.00 0.00 0.00 0.00 60.65 62.00 2k0f s ILE 59 Cb -0.02 -4.25 0.06 0.00 0.01 0.00 0.00 42.46 38.26 2k0f s ILE 59 CO -0.00 -0.31 1.07 -1.81 0.00 0.00 0.00 174.94 173.89 2k0f s ASP 60 N 1.58 4.80 0.09 3.58 1.11 -1.26 -0.84 116.67 125.71 2k0f s ASP 60 Ca 0.38 0.62 -0.17 0.00 0.18 0.00 0.00 52.55 53.55 2k0f s ASP 60 Cb -0.14 -1.25 -0.08 0.00 1.07 0.00 0.00 42.92 42.53 2k0f s ASP 60 CO 0.12 -1.65 1.48 0.15 1.18 0.00 0.00 175.17 176.45 2k0f h PHE 61 N -0.73 0.60 0.00 4.23 3.57 -1.96 -2.26 116.94 120.39 2k0f h PHE 61 Ca -0.45 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 60.92 2k0f h PHE 61 Cb 1.31 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.91 2k0f h PHE 61 CO 0.34 0.75 0.00 -0.35 -2.23 0.00 0.00 178.31 176.82 2k0f n PRO 62 N -4.51 0.23 0.05 6.41 -0.04 -1.26 -1.62 135.00 134.26 2k0f n PRO 62 Ca -0.03 0.05 -0.20 0.00 -0.04 0.00 0.00 63.50 63.27 2k0f n PRO 62 Cb 0.32 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.14 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.33 -0.01 0.54 5.08 -1.86 -1.35 114.58 117.31 2k0f h GLU 63 Ca 0.00 -0.53 -0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2k0f h GLU 63 Cb 0.32 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2k0f h GLU 63 CO 0.00 1.24 0.00 0.35 -1.00 0.00 0.00 179.01 179.60 2k0f h PHE 64 N -0.30 0.01 -0.61 4.33 3.57 -1.21 -3.29 116.94 119.43 2k0f h PHE 64 Ca -0.14 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.42 2k0f h PHE 64 Cb 1.63 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.31 2k0f h PHE 64 CO 0.19 0.07 0.32 1.25 -2.23 0.00 0.00 178.31 177.90 2k0f h LEU 65 N -0.06 0.45 -2.17 0.59 6.46 -1.34 -1.64 115.31 117.60 2k0f h LEU 65 Ca 0.00 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2k0f h LEU 65 Cb 0.06 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 2k0f h LEU 65 CO -0.00 0.29 -0.06 0.74 -0.62 0.00 0.00 178.44 178.79 2k0f h THR 66 N 0.59 0.58 0.15 1.05 2.02 -1.38 0.55 112.91 116.46 2k0f h THR 66 Ca 0.28 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2k0f h THR 66 Cb 0.20 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2k0f h THR 66 CO -0.19 0.06 -0.07 -0.03 0.37 0.00 0.00 175.52 175.66 2k0f h MET 67 N 0.00 -0.19 0.00 6.66 1.85 -1.38 -3.10 114.93 118.77 2k0f h MET 67 Ca -0.00 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.10 2k0f h MET 67 Cb 0.17 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.24 2k0f h MET 67 CO 0.01 0.19 0.00 -1.33 -0.40 0.00 0.00 176.91 175.38 2k0f n MET 68 N -4.89 0.08 0.01 0.39 2.00 -0.84 -1.90 117.12 111.97 2k0f n MET 68 Ca -0.06 0.31 0.11 0.00 0.00 0.00 0.00 57.70 58.05 2k0f n MET 68 Cb 0.23 -1.65 -0.03 0.00 0.00 0.00 0.00 33.22 31.77 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 -1.61 3.99 -2.53 3.04 0.00 0.13 -4.86 120.51 118.67 2k0f n ALA 69 Ca 0.03 -0.50 -0.38 0.00 0.00 0.00 0.00 53.44 52.59 2k0f n ALA 69 Cb 0.20 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 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 -3.11 4.08 0.15 0.00 3.52 -0.80 -5.05 118.95 117.75 2k0f s ARG 70 Ca 0.05 0.46 0.04 0.00 -0.13 0.00 0.00 55.73 56.16 2k0f s ARG 70 Cb 0.16 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 2k0f s ARG 70 CO 0.83 0.53 0.15 0.15 -0.81 0.00 0.00 175.30 176.15 2k0f s LYS 71 N -0.59 2.96 0.37 5.12 1.02 -1.26 -4.99 119.74 122.38 2k0f s LYS 71 Ca 0.25 -0.81 0.02 0.00 0.02 0.00 0.00 55.97 55.44 2k0f s LYS 71 Cb -0.17 -2.69 0.02 0.00 -0.52 0.00 0.00 37.83 34.47 2k0f s LYS 71 CO 0.13 0.50 0.14 -1.33 -0.92 0.00 0.00 175.35 173.87 2k0f n MET 72 N -0.27 1.03 -1.41 1.68 2.81 -1.26 -5.17 117.12 114.53 2k0f n MET 72 Ca -0.08 -2.52 -0.14 0.00 -1.81 0.00 0.00 57.70 53.14 2k0f n MET 72 Cb 0.54 0.48 0.09 0.00 -0.71 0.00 0.00 33.22 33.62 2k0f n MET 72 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2k0f n LYS 73 N -1.15 -0.18 0.08 0.03 2.85 -1.26 -4.92 118.16 113.62 2k0f n LYS 73 Ca -0.08 -1.34 -0.09 0.00 -1.05 0.00 0.00 58.31 55.76 2k0f n LYS 73 Cb 0.45 -0.53 -0.07 0.00 -0.65 0.00 0.00 35.03 34.23 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 -0.60 0.15 0.32 -5.58 3.32 -2.02 -2.64 116.42 109.37 2k0f h ASP 74 Ca -0.20 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 2k0f h ASP 74 Cb 0.66 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2k0f h ASP 74 CO 0.18 1.03 -0.15 0.71 -1.72 0.00 0.00 179.24 179.29 2k0f h THR 75 N 0.04 0.66 -0.21 0.35 1.35 -1.99 -2.41 112.91 110.70 2k0f h THR 75 Ca -0.04 -0.61 0.06 0.00 -0.55 0.00 0.00 66.41 65.27 2k0f h THR 75 Cb 1.67 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 2k0f h THR 75 CO 0.14 0.11 0.27 0.44 -0.25 0.00 0.00 175.52 176.23 2k0f h ASP 76 N -0.79 0.00 1.10 5.36 5.19 -1.95 0.34 116.42 125.67 2k0f h ASP 76 Ca -0.04 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.31 2k0f h ASP 76 Cb 0.51 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 2k0f h ASP 76 CO 0.07 0.00 -0.94 -1.28 -3.12 0.00 0.00 179.24 173.97 2k0f h SER 77 N 0.00 0.00 0.03 6.45 0.87 -1.38 0.31 113.55 119.83 2k0f h SER 77 Ca 0.10 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2k0f h SER 77 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2k0f h SER 77 CO -0.00 0.22 -0.24 -0.08 -0.53 0.00 0.00 176.83 176.20 2k0f h GLU 78 N 0.00 0.06 -0.99 2.24 4.81 -0.58 -3.22 114.58 116.90 2k0f h GLU 78 Ca -0.05 -0.10 0.15 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 78 Cb 1.21 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.53 2k0f h GLU 78 CO 0.02 1.05 0.61 0.93 -0.73 0.00 0.00 179.01 180.89 2k0f h GLU 79 N -0.88 0.85 -0.13 1.92 4.39 -0.29 -0.76 114.58 119.69 2k0f h GLU 79 Ca -0.05 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.64 2k0f h GLU 79 Cb 1.14 -0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 29.54 2k0f h GLU 79 CO 0.02 0.56 -0.38 1.49 -1.16 0.00 0.00 179.01 179.54 2k0f h GLU 80 N 0.88 -0.44 -0.17 2.33 4.81 -0.50 0.33 114.58 121.82 2k0f h GLU 80 Ca 0.53 0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.60 2k0f h GLU 80 Cb 0.66 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 2k0f h GLU 80 CO -0.32 -0.29 -0.64 0.97 -0.73 0.00 0.00 179.01 178.00 2k0f h ILE 81 N -0.45 1.32 -0.03 2.32 6.09 -1.47 -1.92 117.51 123.37 2k0f h ILE 81 Ca 0.08 -1.91 -0.19 0.00 -1.37 0.00 0.00 64.86 61.48 2k0f h ILE 81 Cb 0.60 1.88 -0.01 0.00 0.47 0.00 0.00 36.82 39.76 2k0f h ILE 81 CO -0.38 0.60 -0.80 -0.09 -3.07 0.00 0.00 178.15 174.41 2k0f h ARG 82 N 0.45 0.25 -0.11 2.19 2.43 -1.16 -2.21 114.38 116.23 2k0f h ARG 82 Ca -0.01 -0.24 -0.13 0.00 -0.81 0.00 0.00 59.98 58.79 2k0f h ARG 82 Cb 1.22 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 2k0f h ARG 82 CO 0.12 0.92 -0.50 0.93 -1.51 0.00 0.00 179.97 179.94 2k0f h GLU 83 N 0.16 0.29 0.01 0.20 4.39 -0.85 -2.84 114.58 115.94 2k0f h GLU 83 Ca -0.04 -0.17 0.02 0.00 0.34 0.00 0.00 59.36 59.51 2k0f h GLU 83 Cb 1.39 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.03 2k0f h GLU 83 CO 0.13 0.73 -0.11 0.00 -1.16 0.00 0.00 179.01 178.59 2k0f h ALA 84 N 1.24 -0.13 -0.99 3.43 0.00 -1.36 -2.84 119.26 118.61 2k0f h ALA 84 Ca 0.01 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.15 2k0f h ALA 84 Cb 0.96 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 2k0f h ALA 84 CO 0.08 -0.60 0.63 0.35 0.00 0.00 0.00 179.25 179.71 2k0f h PHE 85 N -0.19 0.75 0.00 0.00 3.57 -1.16 -0.66 116.94 119.26 2k0f h PHE 85 Ca 0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2k0f h PHE 85 Cb 0.23 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 2k0f h PHE 85 CO -0.16 0.13 -0.02 -0.09 -2.23 0.00 0.00 178.31 175.94 2k0f h ARG 86 N 0.51 0.00 0.19 1.11 2.43 -1.38 -0.38 114.38 116.86 2k0f h ARG 86 Ca 0.56 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 59.44 2k0f h ARG 86 Cb 1.24 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.81 2k0f h ARG 86 CO -0.29 0.02 -1.34 0.28 -1.51 0.00 0.00 179.97 177.13 2k0f h VAL 87 N 0.00 1.24 0.06 0.20 2.07 -1.17 -3.36 116.25 115.29 2k0f h VAL 87 Ca -0.00 -2.57 -0.00 0.00 0.82 0.00 0.00 66.70 64.94 2k0f h VAL 87 Cb 0.51 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 2k0f h VAL 87 CO 0.00 0.78 -0.03 -0.26 0.02 0.00 0.00 177.57 178.08 2k0f h PHE 88 N -0.08 -0.08 -3.32 1.57 0.04 -1.19 -3.42 116.94 110.48 2k0f h PHE 88 Ca -0.25 -0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.93 2k0f h PHE 88 Cb 1.95 0.03 -0.08 0.00 2.20 0.00 0.00 35.95 40.04 2k0f h PHE 88 CO 0.14 0.24 0.60 0.34 -0.60 0.00 0.00 178.31 179.03 2k0f s ASP 89 N -5.43 6.84 -0.15 2.17 2.15 -0.20 -4.45 116.67 117.59 2k0f s ASP 89 Ca -0.15 0.95 -0.20 0.00 0.43 0.00 0.00 52.55 53.58 2k0f s ASP 89 Cb 0.03 -2.47 -0.18 0.00 -0.30 0.00 0.00 42.92 40.00 2k0f s ASP 89 CO 0.65 -0.68 0.39 0.50 -0.17 0.00 0.00 175.17 175.86 2k0f h LYS 90 N 7.92 0.00 0.64 4.34 3.64 -1.82 -3.39 116.57 127.89 2k0f h LYS 90 Ca -0.22 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 2k0f h LYS 90 Cb 1.08 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2k0f h LYS 90 CO 0.94 0.74 -0.31 0.38 -2.27 0.00 0.00 179.45 178.93 2k0f h ASP 91 N -1.00 -0.72 0.00 4.20 3.04 -1.94 -3.49 116.42 116.51 2k0f h ASP 91 Ca -0.11 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.71 2k0f h ASP 91 Cb 0.89 0.19 0.00 0.00 -1.04 0.00 0.00 39.33 39.36 2k0f h ASP 91 CO -0.06 -0.33 0.00 0.61 -2.04 0.00 0.00 179.24 177.41 2k0f n GLY 92 N -0.39 1.99 0.03 7.15 0.00 -1.26 -5.03 105.19 107.67 2k0f n GLY 92 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 0.59 0.00 1.61 6.94 -1.26 -4.93 115.26 118.21 2k0f n ASN 93 Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 2k0f n ASN 93 Cb 0.00 0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.65 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 0.99 2.72 4.83 0.00 -1.26 -5.04 105.19 108.84 2k0f n GLY 94 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 1.89 0.05 1.61 2.02 -1.26 -3.63 117.35 116.04 2k0f s TYR 95 Ca 0.00 -2.15 -0.31 0.00 -0.37 0.00 0.00 57.07 54.24 2k0f s TYR 95 Cb 0.00 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.69 2k0f s TYR 95 CO 0.00 -0.83 1.18 0.42 -1.57 0.00 0.00 175.55 174.75 2k0f s ILE 96 N 0.89 4.12 0.39 2.71 1.01 0.04 -4.75 121.20 125.62 2k0f s ILE 96 Ca 0.14 1.52 0.08 0.00 0.00 0.00 0.00 60.65 62.39 2k0f s ILE 96 Cb -0.21 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 2k0f s ILE 96 CO -0.09 0.11 0.21 -0.94 0.00 0.00 0.00 174.94 174.23 2k0f s SER 97 N 1.07 4.62 0.27 3.58 1.04 -1.26 -0.92 113.70 122.10 2k0f s SER 97 Ca 0.58 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2k0f s SER 97 Cb -0.29 -0.57 0.60 0.00 0.10 0.00 0.00 66.02 65.87 2k0f s SER 97 CO 0.29 -0.49 1.72 0.00 0.98 0.00 0.00 173.24 175.73 2k0f h ALA 98 N 1.39 1.27 -0.33 5.32 0.00 -1.95 0.25 119.26 125.21 2k0f h ALA 98 Ca -0.43 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 2k0f h ALA 98 Cb 1.26 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2k0f h ALA 98 CO 0.65 -0.26 -0.14 0.00 0.00 0.00 0.00 179.25 179.51 2k0f h ALA 99 N 1.64 1.14 -0.01 0.00 0.00 -1.98 0.11 119.26 120.15 2k0f h ALA 99 Ca 0.49 -0.30 -0.25 0.00 0.00 0.00 0.00 54.91 54.86 2k0f h ALA 99 Cb 0.85 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.50 2k0f h ALA 99 CO -0.47 0.54 -0.98 0.93 0.00 0.00 0.00 179.25 179.28 2k0f h GLU 100 N 0.54 0.60 -0.58 0.00 5.08 -1.29 -1.90 114.58 117.02 2k0f h GLU 100 Ca 0.09 -0.62 -0.06 0.00 -1.00 0.00 0.00 59.36 57.77 2k0f h GLU 100 Cb 0.55 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2k0f h GLU 100 CO 0.03 1.23 0.12 1.25 -1.00 0.00 0.00 179.01 180.65 2k0f h LEU 101 N 0.34 0.85 -0.59 1.33 5.85 -0.50 -1.33 115.31 121.27 2k0f h LEU 101 Ca -0.10 -0.17 -0.15 0.00 0.84 0.00 0.00 57.88 58.30 2k0f h LEU 101 Cb 1.62 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 2k0f h LEU 101 CO 0.18 0.84 -0.48 -0.09 -0.34 0.00 0.00 178.44 178.56 2k0f h ARG 102 N 0.87 0.55 -0.76 1.25 2.43 -0.72 -1.92 114.38 116.07 2k0f h ARG 102 Ca 0.18 -0.32 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2k0f h ARG 102 Cb 0.34 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 2k0f h ARG 102 CO 0.00 0.91 0.49 1.25 -1.51 0.00 0.00 179.97 181.12 2k0f h HIS 103 N 0.44 0.92 -0.23 2.20 2.76 -1.17 0.44 115.15 120.52 2k0f h HIS 103 Ca 0.02 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 2k0f h HIS 103 Cb 1.01 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 2k0f h HIS 103 CO 0.04 0.54 -0.04 -0.24 -1.30 0.00 0.00 177.93 176.93 2k0f h VAL 104 N 0.97 1.28 -0.85 5.26 3.04 -1.02 -2.60 116.25 122.33 2k0f h VAL 104 Ca 0.30 -1.02 0.08 0.00 -1.01 0.00 0.00 66.70 65.04 2k0f h VAL 104 Cb -0.02 1.49 -0.06 0.00 -2.01 0.00 0.00 31.29 30.69 2k0f h VAL 104 CO -0.10 0.32 0.55 0.24 -1.01 0.00 0.00 177.57 177.57 2k0f h MET 105 N 0.17 0.88 -0.54 4.17 2.07 -0.97 -1.11 114.93 119.59 2k0f h MET 105 Ca 0.06 -0.05 0.05 0.00 -2.07 0.00 0.00 59.70 57.69 2k0f h MET 105 Cb 0.49 -0.20 -0.05 0.00 -1.87 0.00 0.00 31.60 29.98 2k0f h MET 105 CO 0.02 0.58 0.28 1.15 1.07 0.00 0.00 176.91 180.01 2k0f h THR 106 N 0.90 0.95 -0.23 2.22 2.02 -0.01 -0.71 112.91 118.05 2k0f h THR 106 Ca 0.38 -0.18 -0.14 0.00 0.77 0.00 0.00 66.41 67.24 2k0f h THR 106 Cb 0.29 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2k0f h THR 106 CO -0.14 0.10 -0.43 0.78 0.37 0.00 0.00 175.52 176.19 2k0f h ASN 107 N 0.53 0.62 0.65 4.18 2.35 -0.93 -3.07 115.58 119.92 2k0f h ASN 107 Ca 0.24 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2k0f h ASN 107 Cb 0.16 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2k0f h ASN 107 CO -0.17 0.97 0.00 0.18 -1.65 0.00 0.00 177.43 176.76 2k0f n LEU 108 N -4.01 0.00 -0.22 1.61 4.77 -0.50 -4.49 117.00 114.15 2k0f n LEU 108 Ca -0.02 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2k0f n LEU 108 Cb 0.54 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2k0f n LEU 108 CO 0.46 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2k0f n GLY 109 N 1.29 1.00 3.80 -0.72 0.00 -1.01 -4.72 105.19 104.84 2k0f n GLY 109 Ca 0.13 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.75 3.13 -0.97 1.61 0.41 -0.30 -5.02 118.70 114.80 2k0f s GLU 110 Ca 0.00 -0.46 -0.02 0.00 -0.41 0.00 0.00 54.97 54.09 2k0f s GLU 110 Cb 0.00 -2.90 0.30 0.00 -1.78 0.00 0.00 34.13 29.75 2k0f s GLU 110 CO 0.00 0.65 1.33 1.63 -0.49 0.00 0.00 175.26 178.38 2k0f n LYS 111 N 1.15 4.07 -2.30 1.61 5.02 -1.26 -4.38 118.16 122.06 2k0f n LYS 111 Ca -0.13 -4.59 -0.41 0.00 -2.02 0.00 0.00 58.31 51.16 2k0f n LYS 111 Cb 0.53 -2.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.05 2k0f n LYS 111 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k0f s LEU 112 N -2.80 4.43 0.56 -0.35 2.96 -1.26 -5.06 118.68 117.17 2k0f s LEU 112 Ca 0.33 2.32 0.02 0.00 -0.22 0.00 0.00 54.13 56.58 2k0f s LEU 112 Cb 0.08 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 43.20 2k0f s LEU 112 CO 0.07 -0.44 0.78 0.42 -1.32 0.00 0.00 176.35 175.86 2k0f s THR 113 N -0.01 2.62 0.15 3.68 -4.23 -1.26 -5.01 115.64 111.58 2k0f s THR 113 Ca 0.54 -0.69 -0.06 0.00 -1.18 0.00 0.00 61.69 60.29 2k0f s THR 113 Cb -0.34 -2.93 -0.10 0.00 1.34 0.00 0.00 72.50 70.47 2k0f s THR 113 CO 0.38 0.00 1.42 0.44 -0.54 0.00 0.00 174.62 176.32 2k0f h ASP 114 N 0.06 0.73 -0.81 3.99 5.19 -2.00 -2.60 116.42 120.98 2k0f h ASP 114 Ca -0.41 -0.43 0.16 0.00 -0.62 0.00 0.00 57.03 55.73 2k0f h ASP 114 Cb 1.29 -0.21 -0.10 0.00 0.18 0.00 0.00 39.33 40.49 2k0f h ASP 114 CO 0.50 1.19 0.34 -0.08 -3.12 0.00 0.00 179.24 178.07 2k0f h GLU 115 N 0.46 0.44 0.11 3.56 4.81 -2.02 -3.16 114.58 118.78 2k0f h GLU 115 Ca -0.02 -0.03 -0.29 0.00 -0.13 0.00 0.00 59.36 58.90 2k0f h GLU 115 Cb 1.24 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 2k0f h GLU 115 CO 0.13 0.29 -1.40 1.49 -0.73 0.00 0.00 179.01 178.79 2k0f h GLU 116 N 0.45 0.24 -0.76 1.92 4.81 -1.89 -3.17 114.58 116.18 2k0f h GLU 116 Ca 0.46 -0.41 0.11 0.00 -0.13 0.00 0.00 59.36 59.39 2k0f h GLU 116 Cb 0.74 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 2k0f h GLU 116 CO -0.44 1.13 0.50 -0.24 -0.73 0.00 0.00 179.01 179.23 2k0f h VAL 117 N 0.07 0.90 -0.33 0.32 3.04 -1.45 -2.30 116.25 116.50 2k0f h VAL 117 Ca -0.19 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 65.27 2k0f h VAL 117 Cb 1.99 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 31.49 2k0f h VAL 117 CO 0.17 0.11 0.11 -0.78 -1.01 0.00 0.00 177.57 176.18 2k0f h ASP 118 N 0.61 0.47 1.23 3.17 3.58 -1.52 -2.47 116.42 121.49 2k0f h ASP 118 Ca 0.36 -0.19 -0.09 0.00 0.42 0.00 0.00 57.03 57.53 2k0f h ASP 118 Cb 0.57 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2k0f h ASP 118 CO -0.13 0.54 -0.43 1.05 -2.88 0.00 0.00 179.24 177.38 2k0f h GLU 119 N 0.38 0.00 0.21 0.28 4.11 -1.57 0.69 114.58 118.68 2k0f h GLU 119 Ca 0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.53 2k0f h GLU 119 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2k0f h GLU 119 CO -0.01 0.43 -0.10 1.98 0.07 0.00 0.00 179.01 181.39 2k0f h MET 120 N 0.00 -0.27 -0.01 1.06 4.05 -1.42 -2.06 114.93 116.28 2k0f h MET 120 Ca -0.00 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.33 2k0f h MET 120 Cb 1.17 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 32.01 2k0f h MET 120 CO 0.06 0.04 -0.49 0.82 0.23 0.00 0.00 176.91 177.56 2k0f h ILE 121 N -0.59 1.35 -0.57 1.77 1.08 -1.38 -2.57 117.51 116.60 2k0f h ILE 121 Ca -0.03 -1.70 -0.00 0.00 -0.39 0.00 0.00 64.86 62.74 2k0f h ILE 121 Cb 0.43 1.91 -0.03 0.00 -3.07 0.00 0.00 36.82 36.06 2k0f h ILE 121 CO 0.05 0.49 0.34 -0.09 -0.69 0.00 0.00 178.15 178.24 2k0f h ARG 122 N 0.01 0.76 -0.00 2.37 9.65 -0.82 -1.20 114.38 125.15 2k0f h ARG 122 Ca -0.00 -0.06 -0.11 0.00 -1.10 0.00 0.00 59.98 58.70 2k0f h ARG 122 Cb 0.88 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.28 2k0f h ARG 122 CO 0.07 0.54 -0.52 1.49 2.80 0.00 0.00 179.97 184.34 2k0f h GLU 123 N 0.78 0.01 0.11 0.20 4.81 -1.10 -3.32 114.58 116.07 2k0f h GLU 123 Ca 0.20 -0.01 -0.30 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 123 Cb -0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2k0f h GLU 123 CO -0.04 0.53 -1.60 0.00 -0.73 0.00 0.00 179.01 177.18 2k0f h ALA 124 N 1.47 0.26 -2.22 2.92 0.00 -1.07 -3.46 119.26 117.16 2k0f h ALA 124 Ca -0.00 -1.20 -0.55 0.00 0.00 0.00 0.00 54.91 53.15 2k0f h ALA 124 Cb 0.93 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2k0f h ALA 124 CO 0.07 0.97 1.04 0.34 0.00 0.00 0.00 179.25 181.67 2k0f s ASP 125 N -7.03 6.74 -0.05 0.00 2.15 -0.49 -4.89 116.67 113.10 2k0f s ASP 125 Ca -0.22 2.06 -0.03 0.00 0.43 0.00 0.00 52.55 54.80 2k0f s ASP 125 Cb 0.05 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 40.13 2k0f s ASP 125 CO 0.75 -0.89 -0.05 0.40 -0.17 0.00 0.00 175.17 175.21 2k0f h ILE 126 N 5.57 0.00 0.00 4.11 2.04 -1.89 -3.45 117.51 123.89 2k0f h ILE 126 Ca -0.35 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2k0f h ILE 126 Cb 1.16 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2k0f h ILE 126 CO 0.96 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 178.21 2k0f n ASP 127 N -3.04 0.00 0.00 1.72 5.68 -1.26 -4.98 116.55 114.66 2k0f n ASP 127 Ca -0.02 0.66 0.00 0.00 -0.50 0.00 0.00 54.79 54.93 2k0f n ASP 127 Cb 0.07 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 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 -0.65 0.00 0.16 6.12 0.00 -1.26 -5.01 105.19 104.54 2k0f n GLY 128 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.47 116.42 115.64 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 0.49 0.00 0.61 -2.04 0.00 0.00 179.24 178.30 2k0f n GLY 130 N 0.50 0.74 3.39 7.15 0.00 -1.26 -5.07 105.19 110.64 2k0f n GLY 130 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.49 1.74 -0.47 1.61 -0.21 -1.26 -4.63 119.66 115.94 2k0f s GLN 131 Ca 0.00 -1.16 -0.15 0.00 0.02 0.00 0.00 55.36 54.06 2k0f s GLN 131 Cb 0.00 -2.01 0.07 0.00 1.00 0.00 0.00 33.01 32.08 2k0f s GLN 131 CO 0.00 0.50 0.40 0.08 -2.12 0.00 0.00 175.29 174.15 2k0f s VAL 132 N -0.93 5.23 0.96 1.09 1.01 -0.09 -4.84 120.40 122.83 2k0f s VAL 132 Ca 0.13 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 60.88 2k0f s VAL 132 Cb -0.10 -4.13 0.19 0.00 0.00 0.00 0.00 36.38 32.34 2k0f s VAL 132 CO 0.04 -0.59 1.29 0.54 0.00 0.00 0.00 175.10 176.39 2k0f s ASN 133 N 2.63 3.10 0.21 3.32 2.20 -1.26 -0.78 114.94 124.36 2k0f s ASN 133 Ca 0.04 0.36 -0.07 0.00 -0.94 0.00 0.00 52.86 52.26 2k0f s ASN 133 Cb -0.24 -0.48 0.15 0.00 -2.00 0.00 0.00 41.25 38.68 2k0f s ASN 133 CO 0.07 -2.75 1.70 0.22 -2.94 0.00 0.00 177.10 173.39 2k0f h TYR 134 N -1.65 1.10 -0.46 1.54 3.20 -1.97 -2.42 116.97 116.31 2k0f h TYR 134 Ca -0.45 -0.16 -0.10 0.00 3.14 0.00 0.00 58.73 61.16 2k0f h TYR 134 Cb 1.25 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 2k0f h TYR 134 CO -1.04 0.95 -0.11 0.93 -1.64 0.00 0.00 178.16 177.24 2k0f h GLU 135 N 0.95 0.83 -0.32 1.82 5.08 -1.94 -1.91 114.58 119.10 2k0f h GLU 135 Ca 0.18 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2k0f h GLU 135 Cb 0.48 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 135 CO 0.02 0.91 0.16 0.93 -1.00 0.00 0.00 179.01 180.03 2k0f h GLU 136 N 0.75 0.43 0.15 2.33 5.08 -1.87 0.10 114.58 121.55 2k0f h GLU 136 Ca 0.12 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.24 2k0f h GLU 136 Cb 0.61 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.80 2k0f h GLU 136 CO 0.04 0.33 -0.92 0.35 -1.00 0.00 0.00 179.01 177.81 2k0f h PHE 137 N 0.44 0.59 -0.20 4.33 3.57 -1.33 -2.96 116.94 121.38 2k0f h PHE 137 Ca 0.11 -0.43 -0.14 0.00 3.53 0.00 0.00 57.97 61.05 2k0f h PHE 137 Cb 0.03 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2k0f h PHE 137 CO 0.00 1.35 -0.45 0.28 -2.23 0.00 0.00 178.31 177.27 2k0f h VAL 138 N -0.31 1.31 -0.43 1.41 2.07 -0.86 -0.53 116.25 118.91 2k0f h VAL 138 Ca -0.16 -1.64 0.01 0.00 0.82 0.00 0.00 66.70 65.73 2k0f h VAL 138 Cb 1.71 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 2k0f h VAL 138 CO 0.16 0.51 0.27 -0.61 0.02 0.00 0.00 177.57 177.92 2k0f h GLN 139 N 0.40 0.52 -0.03 1.57 5.75 -0.92 -3.17 115.11 119.22 2k0f h GLN 139 Ca 0.03 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.37 2k0f h GLN 139 Cb 0.94 -0.12 0.01 0.00 1.07 0.00 0.00 27.48 29.38 2k0f h GLN 139 CO 0.08 0.35 -0.48 1.98 -2.65 0.00 0.00 178.83 178.11 2k0f h MET 140 N 0.54 0.39 0.00 1.69 4.05 -1.29 -3.29 114.93 117.01 2k0f h MET 140 Ca 0.17 -0.37 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 2k0f h MET 140 Cb -0.02 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 2k0f h MET 140 CO -0.06 1.03 0.00 -1.33 0.23 0.00 0.00 176.91 176.78 2k0f n MET 141 N -4.30 0.04 0.00 0.39 2.81 -0.24 -5.09 117.12 110.73 2k0f n MET 141 Ca -0.09 0.12 0.02 0.00 -1.81 0.00 0.00 57.70 55.93 2k0f n MET 141 Cb 0.60 -1.55 0.13 0.00 -0.71 0.00 0.00 33.22 31.69 2k0f n MET 141 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11