#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 -0.19 1.09 4.81 -2.05 -2.94 114.58 115.30 2k0f h GLU 2 Ca 0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 2k0f h GLU 2 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2k0f h GLU 2 CO 0.00 0.00 -0.66 1.49 -0.73 0.00 0.00 179.01 179.11 2k0f h GLU 3 N 0.00 0.71 -0.03 1.92 4.81 -2.05 -0.75 114.58 119.20 2k0f h GLU 3 Ca 0.07 -0.52 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 2k0f h GLU 3 Cb 0.48 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 2k0f h GLU 3 CO -0.00 1.14 -0.04 1.96 -0.73 0.00 0.00 179.01 181.34 2k0f h GLN 4 N 0.52 0.08 -0.37 1.92 4.20 -1.97 -1.69 115.11 117.80 2k0f h GLN 4 Ca -0.02 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.71 2k0f h GLN 4 Cb 1.26 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.96 2k0f h GLN 4 CO 0.13 0.57 -0.43 0.82 -0.67 0.00 0.00 178.83 179.26 2k0f h ILE 5 N -0.41 0.12 -1.01 2.54 1.08 -1.36 0.10 117.51 118.57 2k0f h ILE 5 Ca 0.00 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 2k0f h ILE 5 Cb 0.56 0.12 -0.05 0.00 -3.07 0.00 0.00 36.82 34.38 2k0f h ILE 5 CO 0.01 0.00 0.67 0.00 -0.69 0.00 0.00 178.15 178.14 2k0f h ALA 6 N 0.39 1.30 0.05 1.87 0.00 -1.19 0.51 119.26 122.19 2k0f h ALA 6 Ca 0.13 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 2k0f h ALA 6 Cb 0.59 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2k0f h ALA 6 CO -0.55 0.63 -1.06 1.49 0.00 0.00 0.00 179.25 179.75 2k0f h GLU 7 N 1.33 0.35 0.00 0.00 4.81 -0.65 -2.19 114.58 118.23 2k0f h GLU 7 Ca 0.38 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2k0f h GLU 7 Cb -0.10 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2k0f h GLU 7 CO -0.10 1.15 0.00 0.74 -0.73 0.00 0.00 179.01 180.07 2k0f h PHE 8 N 0.16 0.00 -0.13 0.92 0.04 -0.58 -2.01 116.94 115.34 2k0f h PHE 8 Ca -0.10 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.52 2k0f h PHE 8 Cb 1.73 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.89 2k0f h PHE 8 CO 0.06 0.00 -0.48 -0.22 -0.60 0.00 0.00 178.31 177.07 2k0f h LYS 9 N 0.00 0.55 0.00 1.51 3.64 -0.26 -2.93 116.57 119.08 2k0f h LYS 9 Ca 0.00 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 2k0f h LYS 9 Cb 0.23 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2k0f h LYS 9 CO 0.00 1.05 -0.03 0.93 -2.27 0.00 0.00 179.45 179.13 2k0f h GLU 10 N 0.17 0.00 -0.32 1.90 4.39 -1.12 -1.41 114.58 118.20 2k0f h GLU 10 Ca -0.02 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 2k0f h GLU 10 Cb 1.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 2k0f h GLU 10 CO 0.10 0.03 -0.30 0.00 -1.16 0.00 0.00 179.01 177.68 2k0f h ALA 11 N 1.97 0.87 -0.24 3.43 0.00 -1.51 -3.04 119.26 120.74 2k0f h ALA 11 Ca -0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 2k0f h ALA 11 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2k0f h ALA 11 CO 0.00 0.63 -0.49 0.35 0.00 0.00 0.00 179.25 179.74 2k0f h PHE 12 N 0.58 0.96 0.00 0.00 3.57 -1.10 -3.14 116.94 117.81 2k0f h PHE 12 Ca 0.07 -0.35 0.00 0.00 3.53 0.00 0.00 57.97 61.22 2k0f h PHE 12 Cb 0.80 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2k0f h PHE 12 CO 0.04 1.15 0.00 -1.13 -2.23 0.00 0.00 178.31 176.14 2k0f n SER 13 N -4.11 0.28 0.31 0.41 3.41 -0.63 0.52 113.62 113.81 2k0f n SER 13 Ca -0.05 0.54 -0.14 0.00 -0.26 0.00 0.00 58.87 58.96 2k0f n SER 13 Cb 0.59 -0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 63.86 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2k0f h LEU 14 N 0.00 -0.69 0.41 1.04 6.46 -1.52 -3.38 115.31 117.62 2k0f h LEU 14 Ca 0.00 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2k0f h LEU 14 Cb 0.48 0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.58 2k0f h LEU 14 CO 0.00 -0.32 -0.25 -0.26 -0.62 0.00 0.00 178.44 176.99 2k0f h PHE 15 N -1.13 -0.68 -3.12 1.25 0.04 -1.42 -3.41 116.94 108.46 2k0f h PHE 15 Ca -0.08 -0.01 -0.57 0.00 2.80 0.00 0.00 57.97 60.11 2k0f h PHE 15 Cb 0.67 0.24 -0.05 0.00 2.20 0.00 0.00 35.95 39.01 2k0f h PHE 15 CO 0.00 -0.38 0.99 0.34 -0.60 0.00 0.00 178.31 178.67 2k0f s ASP 16 N -3.15 6.62 0.10 2.17 2.15 0.19 -4.71 116.67 120.03 2k0f s ASP 16 Ca -0.10 1.21 0.03 0.00 0.43 0.00 0.00 52.55 54.13 2k0f s ASP 16 Cb 0.02 -2.54 -0.24 0.00 -0.30 0.00 0.00 42.92 39.86 2k0f s ASP 16 CO 0.31 -1.12 1.21 0.11 -0.17 0.00 0.00 175.17 175.50 2k0f h LYS 17 N 9.53 0.09 0.67 4.34 1.79 -1.81 -3.38 116.57 127.80 2k0f h LYS 17 Ca -0.27 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.01 2k0f h LYS 17 Cb 1.10 0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.82 2k0f h LYS 17 CO 1.03 1.06 -0.32 -0.44 -1.08 0.00 0.00 179.45 179.71 2k0f h ASP 18 N 0.03 -0.76 0.00 0.86 3.32 -1.91 -3.48 116.42 114.48 2k0f h ASP 18 Ca -0.06 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2k0f h ASP 18 Cb 1.85 0.20 0.00 0.00 0.22 0.00 0.00 39.33 41.59 2k0f h ASP 18 CO 0.15 -0.41 0.00 0.61 -1.72 0.00 0.00 179.24 177.87 2k0f n GLY 19 N -0.64 1.16 0.14 2.75 0.00 -1.26 -5.01 105.19 102.32 2k0f n GLY 19 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.49 0.00 1.61 2.03 -1.93 -3.48 116.42 115.14 2k0f h ASP 20 Ca 0.00 -0.92 0.00 0.00 -0.73 0.00 0.00 57.03 55.38 2k0f h ASP 20 Cb 0.00 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.34 2k0f h ASP 20 CO 0.00 1.77 0.00 0.61 -1.03 0.00 0.00 179.24 180.59 2k0f n GLY 21 N 1.87 1.24 3.13 7.15 0.00 -1.26 -5.09 105.19 112.22 2k0f n GLY 21 Ca -0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.96 1.27 -0.32 2.61 -4.23 -1.26 -1.98 115.64 109.77 2k0f s THR 22 Ca 0.00 -0.68 -0.07 0.00 -1.18 0.00 0.00 61.69 59.76 2k0f s THR 22 Cb 0.00 -1.07 0.02 0.00 1.34 0.00 0.00 72.50 72.79 2k0f s THR 22 CO 0.00 0.36 0.10 -0.63 -0.54 0.00 0.00 174.62 173.92 2k0f s ILE 23 N -0.28 3.98 0.43 2.99 1.01 0.11 -4.80 121.20 124.64 2k0f s ILE 23 Ca 0.04 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 2k0f s ILE 23 Cb -0.07 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 2k0f s ILE 23 CO -0.00 -0.04 0.72 0.42 0.00 0.00 0.00 174.94 176.04 2k0f s THR 24 N 1.47 4.94 0.26 2.92 -4.23 -1.26 -2.90 115.64 116.84 2k0f s THR 24 Ca 0.01 0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 60.60 2k0f s THR 24 Cb -0.18 -3.83 0.33 0.00 1.34 0.00 0.00 72.50 70.16 2k0f s THR 24 CO 0.03 -0.71 1.61 0.74 -0.54 0.00 0.00 174.62 175.75 2k0f h THR 25 N 0.54 0.22 -0.16 3.99 2.02 -1.95 0.90 112.91 118.47 2k0f h THR 25 Ca -0.47 -0.02 -0.19 0.00 0.77 0.00 0.00 66.41 66.50 2k0f h THR 25 Cb 1.20 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2k0f h THR 25 CO 0.62 0.01 -0.64 0.50 0.37 0.00 0.00 175.52 176.39 2k0f h LYS 26 N 0.06 0.72 -0.52 6.66 3.64 -1.96 0.14 116.57 125.31 2k0f h LYS 26 Ca 0.46 -0.55 -0.10 0.00 -1.27 0.00 0.00 60.65 59.18 2k0f h LYS 26 Cb 0.82 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 2k0f h LYS 26 CO -0.78 1.17 -0.08 0.93 -2.27 0.00 0.00 179.45 178.42 2k0f h GLU 27 N 0.42 0.97 0.27 1.90 5.08 -1.62 -0.76 114.58 120.84 2k0f h GLU 27 Ca -0.03 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 2k0f h GLU 27 Cb 1.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k0f h GLU 27 CO 0.13 1.02 -0.13 1.25 -1.00 0.00 0.00 179.01 180.29 2k0f h LEU 28 N 0.84 -0.31 -1.21 1.33 6.46 -0.91 -2.71 115.31 118.80 2k0f h LEU 28 Ca 0.14 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.93 2k0f h LEU 28 Cb 0.64 0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.60 2k0f h LEU 28 CO 0.04 -0.19 0.55 1.23 -0.62 0.00 0.00 178.44 179.45 2k0f h GLY 29 N -0.39 1.19 0.66 3.75 0.00 -0.70 0.53 103.07 108.10 2k0f h GLY 29 Ca -0.04 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 46.93 2k0f h GLY 29 CO 0.06 0.32 -0.07 -0.84 0.00 0.00 0.00 176.54 176.01 2k0f h THR 30 N 0.99 0.78 0.00 4.70 2.02 -1.13 -1.77 112.91 118.49 2k0f h THR 30 Ca 0.35 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.46 2k0f h THR 30 Cb 0.11 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2k0f h THR 30 CO -0.11 0.00 -0.31 0.58 0.37 0.00 0.00 175.52 176.05 2k0f h VAL 31 N -0.08 1.08 0.41 3.16 2.07 -0.93 -0.34 116.25 121.63 2k0f h VAL 31 Ca 0.07 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 2k0f h VAL 31 Cb 0.18 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2k0f h VAL 31 CO -0.16 0.30 -0.20 0.24 0.02 0.00 0.00 177.57 177.77 2k0f h MET 32 N 0.00 -0.54 -0.28 1.57 2.86 -0.79 -3.02 114.93 114.73 2k0f h MET 32 Ca -0.00 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2k0f h MET 32 Cb 0.59 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 2k0f h MET 32 CO 0.04 -0.36 0.19 -0.09 1.06 0.00 0.00 176.91 177.75 2k0f h ARG 33 N -0.56 0.37 0.00 1.72 1.12 -0.10 0.25 114.38 117.18 2k0f h ARG 33 Ca -0.06 -0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.72 2k0f h ARG 33 Cb 0.43 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.29 2k0f h ARG 33 CO 0.09 0.24 -0.36 0.77 -3.11 0.00 0.00 179.97 177.61 2k0f h SER 34 N 0.38 0.00 0.00 -3.80 0.02 -1.02 -3.04 113.55 106.09 2k0f h SER 34 Ca 0.11 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 2k0f h SER 34 Cb -0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2k0f h SER 34 CO -0.02 0.36 -0.66 -0.07 -1.14 0.00 0.00 176.83 175.29 2k0f h LEU 35 N 0.00 0.00 0.00 5.07 3.38 -1.30 -3.33 115.31 119.13 2k0f h LEU 35 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2k0f h LEU 35 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2k0f h LEU 35 CO 0.05 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.21 2k0f n GLY 36 N 1.57 0.00 3.16 0.83 0.00 0.81 -5.03 105.19 106.53 2k0f n GLY 36 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 0.32 -0.48 1.61 0.74 -0.84 -4.93 119.66 116.07 2k0f s GLN 37 Ca 0.00 0.40 0.03 0.00 0.05 0.00 0.00 55.36 55.84 2k0f s GLN 37 Cb 0.00 0.14 0.14 0.00 1.10 0.00 0.00 33.01 34.39 2k0f s GLN 37 CO 0.00 -0.05 0.26 1.21 -0.55 0.00 0.00 175.29 176.17 2k0f s ASN 38 N 0.22 3.92 0.88 6.67 2.47 -1.26 -0.89 114.94 126.96 2k0f s ASN 38 Ca -0.01 -2.86 -0.14 0.00 0.42 0.00 0.00 52.86 50.28 2k0f s ASN 38 Cb -0.02 -1.29 0.14 0.00 -1.45 0.00 0.00 41.25 38.63 2k0f s ASN 38 CO -0.00 -0.24 1.25 -2.16 -3.72 0.00 0.00 177.10 172.22 2k0f s PRO 39 N -0.01 1.30 0.66 0.43 0.04 -1.26 -5.08 135.00 131.08 2k0f s PRO 39 Ca 0.18 -0.18 -0.09 0.00 0.04 0.00 0.00 61.00 60.96 2k0f s PRO 39 Cb -0.23 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.41 2k0f s PRO 39 CO -0.01 -2.00 1.01 0.95 0.04 0.00 0.00 177.00 176.99 2k0f s THR 40 N -3.72 3.50 0.07 1.26 -4.23 -1.26 -5.00 115.64 106.25 2k0f s THR 40 Ca 0.68 0.24 -0.16 0.00 -1.18 0.00 0.00 61.69 61.27 2k0f s THR 40 Cb -0.07 -3.44 -0.15 0.00 1.34 0.00 0.00 72.50 70.17 2k0f s THR 40 CO 0.51 -0.53 1.29 -0.33 -0.54 0.00 0.00 174.62 175.02 2k0f h GLU 41 N -0.45 0.62 -0.30 3.99 5.08 -1.98 -2.67 114.58 118.87 2k0f h GLU 41 Ca -0.45 -0.45 0.07 0.00 -1.00 0.00 0.00 59.36 57.52 2k0f h GLU 41 Cb 1.26 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.52 2k0f h GLU 41 CO 0.62 1.07 -0.16 0.00 -1.00 0.00 0.00 179.01 179.54 2k0f h ALA 42 N 0.54 0.06 -0.01 3.43 0.00 -1.98 0.39 119.26 121.69 2k0f h ALA 42 Ca -0.02 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 42 Cb 1.12 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2k0f h ALA 42 CO 0.11 -0.56 -0.80 0.93 0.00 0.00 0.00 179.25 178.93 2k0f h GLU 43 N -0.13 0.16 -0.27 0.00 5.08 -1.98 -2.75 114.58 114.69 2k0f h GLU 43 Ca 0.16 -0.16 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2k0f h GLU 43 Cb 0.37 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k0f h GLU 43 CO -0.38 0.87 -0.53 1.25 -1.00 0.00 0.00 179.01 179.23 2k0f h LEU 44 N 0.10 0.94 -1.20 1.33 5.85 -1.18 -2.93 115.31 118.22 2k0f h LEU 44 Ca -0.03 -0.54 0.24 0.00 0.84 0.00 0.00 57.88 58.40 2k0f h LEU 44 Cb 1.39 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 42.05 2k0f h LEU 44 CO 0.12 1.30 0.63 -0.61 -0.34 0.00 0.00 178.44 179.54 2k0f h GLN 45 N 0.61 0.50 -0.47 1.25 4.15 -0.79 0.10 115.11 120.47 2k0f h GLN 45 Ca 0.01 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 2k0f h GLN 45 Cb 1.14 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.70 2k0f h GLN 45 CO 0.12 0.33 0.08 0.22 -1.93 0.00 0.00 178.83 177.65 2k0f h ASP 46 N 0.52 0.74 -0.29 -0.69 3.58 -1.36 -0.58 116.42 118.34 2k0f h ASP 46 Ca 0.60 -0.26 0.01 0.00 0.42 0.00 0.00 57.03 57.80 2k0f h ASP 46 Cb 1.30 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 2k0f h ASP 46 CO -0.36 0.81 0.17 0.24 -2.88 0.00 0.00 179.24 177.22 2k0f h MET 47 N 0.64 0.34 -0.66 0.28 2.86 -1.20 -2.79 114.93 114.41 2k0f h MET 47 Ca 0.14 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.85 2k0f h MET 47 Cb 0.38 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.89 2k0f h MET 47 CO 0.01 0.23 0.29 0.82 1.06 0.00 0.00 176.91 179.31 2k0f h ILE 48 N 0.35 0.81 -0.29 -1.22 2.04 -0.52 -2.53 117.51 116.14 2k0f h ILE 48 Ca 0.11 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 2k0f h ILE 48 Cb -0.01 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 2k0f h ILE 48 CO -0.05 0.09 -0.01 0.78 0.00 0.00 0.00 178.15 178.96 2k0f h ASN 49 N 0.50 0.42 0.25 1.72 2.35 -0.85 -2.64 115.58 117.33 2k0f h ASN 49 Ca 0.33 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.94 2k0f h ASN 49 Cb 0.38 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2k0f h ASN 49 CO -0.29 0.50 -0.27 -0.33 -1.65 0.00 0.00 177.43 175.39 2k0f h GLU 50 N 0.44 0.04 -0.63 0.81 5.08 -1.20 -1.71 114.58 117.41 2k0f h GLU 50 Ca 0.10 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 50 Cb 0.31 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2k0f h GLU 50 CO 0.01 0.31 0.10 0.28 -1.00 0.00 0.00 179.01 178.71 2k0f h VAL 51 N 0.04 1.26 -2.59 3.13 2.07 -1.55 -3.48 116.25 115.13 2k0f h VAL 51 Ca 0.00 -1.01 -0.52 0.00 0.82 0.00 0.00 66.70 65.99 2k0f h VAL 51 Cb 0.50 0.67 0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2k0f h VAL 51 CO 0.04 0.38 1.07 -0.62 0.02 0.00 0.00 177.57 178.45 2k0f s ASP 52 N -6.53 6.41 -0.17 0.57 2.15 -0.65 -4.96 116.67 113.48 2k0f s ASP 52 Ca -0.11 2.80 -0.17 0.00 0.43 0.00 0.00 52.55 55.50 2k0f s ASP 52 Cb 0.15 -2.58 -0.14 0.00 -0.30 0.00 0.00 42.92 40.05 2k0f s ASP 52 CO 0.84 -0.99 0.16 0.00 -0.17 0.00 0.00 175.17 175.00 2k0f h ALA 53 N 7.87 0.14 0.00 3.66 0.00 -1.90 -3.41 119.26 125.61 2k0f h ALA 53 Ca -0.45 -0.83 -0.00 0.00 0.00 0.00 0.00 54.91 53.63 2k0f h ALA 53 Cb 1.21 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2k0f h ALA 53 CO 0.95 0.51 -0.00 0.38 0.00 0.00 0.00 179.25 181.09 2k0f h ASP 54 N -1.00 -0.00 0.00 0.00 3.04 -1.94 -3.49 116.42 113.03 2k0f h ASP 54 Ca -0.18 -0.67 0.00 0.00 -3.24 0.00 0.00 57.03 52.94 2k0f h ASP 54 Cb 0.94 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.23 2k0f h ASP 54 CO -0.11 0.83 0.00 0.61 -2.04 0.00 0.00 179.24 178.53 2k0f n GLY 55 N 1.66 1.62 0.21 7.15 0.00 -1.26 -5.03 105.19 109.54 2k0f n GLY 55 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.05 1.61 -1.07 -1.95 -3.48 115.58 110.64 2k0f h ASN 56 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 2k0f h ASN 56 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.09 -0.02 0.61 0.07 0.00 0.00 177.43 178.18 2k0f n GLY 57 N 1.03 0.50 3.23 9.14 0.00 -1.26 -5.04 105.19 112.79 2k0f n GLY 57 Ca 0.03 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.97 1.53 -0.24 2.61 -4.23 -1.26 -4.76 115.64 107.33 2k0f s THR 58 Ca 0.00 -1.24 -0.23 0.00 -1.18 0.00 0.00 61.69 59.04 2k0f s THR 58 Cb 0.00 -1.36 -0.01 0.00 1.34 0.00 0.00 72.50 72.47 2k0f s THR 58 CO 0.00 0.08 0.76 -0.51 -0.54 0.00 0.00 174.62 174.41 2k0f s ILE 59 N -0.92 4.89 0.56 2.99 2.07 -1.14 -4.89 121.20 124.76 2k0f s ILE 59 Ca 0.05 1.43 -0.06 0.00 -1.41 0.00 0.00 60.65 60.67 2k0f s ILE 59 Cb -0.09 -4.06 -0.01 0.00 0.13 0.00 0.00 42.46 38.44 2k0f s ILE 59 CO 0.02 -0.02 0.87 -1.81 -1.91 0.00 0.00 174.94 172.09 2k0f s ASP 60 N 1.35 5.80 0.23 4.50 1.11 -1.26 0.08 116.67 128.48 2k0f s ASP 60 Ca 0.32 0.79 -0.07 0.00 0.18 0.00 0.00 52.55 53.78 2k0f s ASP 60 Cb -0.15 -1.88 0.31 0.00 1.07 0.00 0.00 42.92 42.26 2k0f s ASP 60 CO 0.08 -0.92 1.81 0.15 1.18 0.00 0.00 175.17 177.47 2k0f h PHE 61 N -0.06 0.76 0.00 4.23 3.57 -1.80 -1.88 116.94 121.75 2k0f h PHE 61 Ca -0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2k0f h PHE 61 Cb 1.24 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.75 2k0f h PHE 61 CO 0.51 0.34 0.00 -1.35 -2.23 0.00 0.00 178.31 175.58 2k0f h PRO 62 N 0.74 0.00 0.14 6.41 0.11 -1.96 -1.94 132.00 135.50 2k0f h PRO 62 Ca 0.34 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.11 2k0f h PRO 62 Cb 0.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 2k0f h PRO 62 CO -0.21 0.00 -1.80 0.93 -0.21 0.00 0.00 178.00 176.71 2k0f h GLU 63 N 0.00 0.29 -0.83 1.05 5.08 -1.88 -3.19 114.58 115.10 2k0f h GLU 63 Ca 0.00 -0.50 0.21 0.00 -1.00 0.00 0.00 59.36 58.06 2k0f h GLU 63 Cb 0.39 0.19 -0.14 0.00 0.50 0.00 0.00 28.75 29.68 2k0f h GLU 63 CO 0.00 1.24 0.09 0.35 -1.00 0.00 0.00 179.01 179.70 2k0f h PHE 64 N -0.03 0.10 -0.39 4.33 3.57 -1.19 -0.69 116.94 122.65 2k0f h PHE 64 Ca -0.38 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.16 2k0f h PHE 64 Cb 1.98 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.79 2k0f h PHE 64 CO 0.09 -0.25 0.15 -0.07 -2.23 0.00 0.00 178.31 176.00 2k0f h LEU 65 N 0.14 0.49 0.01 0.59 3.38 -1.47 0.80 115.31 119.25 2k0f h LEU 65 Ca 0.48 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.27 2k0f h LEU 65 Cb 0.92 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.55 2k0f h LEU 65 CO -0.69 0.46 -0.52 0.74 0.09 0.00 0.00 178.44 178.52 2k0f h THR 66 N 0.55 1.47 -0.26 0.22 2.02 -1.43 -2.09 112.91 113.38 2k0f h THR 66 Ca 0.13 -2.09 -0.04 0.00 0.77 0.00 0.00 66.41 65.19 2k0f h THR 66 Cb 0.13 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 2k0f h THR 66 CO -0.01 0.60 0.02 -0.03 0.37 0.00 0.00 175.52 176.47 2k0f h MET 67 N -0.24 0.45 -0.14 6.66 1.85 -0.83 0.90 114.93 123.58 2k0f h MET 67 Ca -0.07 -0.13 -0.08 0.00 -0.61 0.00 0.00 59.70 58.81 2k0f h MET 67 Cb 1.26 -0.05 -0.00 0.00 0.43 0.00 0.00 31.60 33.25 2k0f h MET 67 CO 0.10 0.59 -0.22 0.52 -0.40 0.00 0.00 176.91 177.51 2k0f h MET 68 N 0.24 0.39 0.00 0.39 2.07 -0.97 -3.12 114.93 113.92 2k0f h MET 68 Ca 0.08 -0.23 0.00 0.00 -2.07 0.00 0.00 59.70 57.47 2k0f h MET 68 Cb 0.37 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.13 2k0f h MET 68 CO 0.01 0.82 0.00 0.00 1.07 0.00 0.00 176.91 178.81 2k0f n ALA 69 N -2.46 1.52 -1.91 6.32 0.00 -0.78 -4.68 120.51 118.52 2k0f n ALA 69 Ca -0.07 0.06 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2k0f n ALA 69 Cb 0.42 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 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 -3.25 3.73 -0.05 0.00 3.52 0.28 -4.96 118.95 118.21 2k0f s ARG 70 Ca 0.04 1.95 -0.30 0.00 -0.13 0.00 0.00 55.73 57.28 2k0f s ARG 70 Cb 0.08 -4.13 -0.02 0.00 -1.56 0.00 0.00 34.95 29.31 2k0f s ARG 70 CO 0.30 -1.39 1.02 0.21 -0.81 0.00 0.00 175.30 174.63 2k0f s LYS 71 N 4.98 4.47 0.16 5.12 2.47 -1.26 -5.01 119.74 130.67 2k0f s LYS 71 Ca 0.81 1.45 0.02 0.00 -1.56 0.00 0.00 55.97 56.69 2k0f s LYS 71 Cb -0.30 -3.50 0.03 0.00 -1.46 0.00 0.00 37.83 32.59 2k0f s LYS 71 CO 0.33 -0.23 0.22 -1.33 0.16 0.00 0.00 175.35 174.51 2k0f n MET 72 N 4.56 0.86 -1.70 4.03 2.81 -1.26 -5.12 117.12 121.29 2k0f n MET 72 Ca 0.08 -0.84 -0.30 0.00 -1.81 0.00 0.00 57.70 54.84 2k0f n MET 72 Cb 0.49 -0.07 0.09 0.00 -0.71 0.00 0.00 33.22 33.02 2k0f n MET 72 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2k0f s LYS 73 N -2.74 2.08 0.13 0.03 2.20 -1.26 -4.85 119.74 115.33 2k0f s LYS 73 Ca 0.17 0.43 -0.17 0.00 -0.36 0.00 0.00 55.97 56.03 2k0f s LYS 73 Cb -0.01 -1.94 -0.02 0.00 -1.51 0.00 0.00 37.83 34.36 2k0f s LYS 73 CO 0.11 -1.58 1.74 0.38 -0.36 0.00 0.00 175.35 175.64 2k0f h ASP 74 N -1.05 0.43 -0.31 1.43 2.03 -2.00 -0.99 116.42 115.97 2k0f h ASP 74 Ca -0.47 -0.08 0.07 0.00 -0.73 0.00 0.00 57.03 55.82 2k0f h ASP 74 Cb 1.29 -0.11 -0.08 0.00 -0.83 0.00 0.00 39.33 39.60 2k0f h ASP 74 CO 0.62 0.39 -0.24 0.71 -1.03 0.00 0.00 179.24 179.69 2k0f h THR 75 N 0.44 0.38 -0.86 1.15 1.35 -1.99 -1.46 112.91 111.93 2k0f h THR 75 Ca 0.12 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 66.11 2k0f h THR 75 Cb 0.05 0.38 -0.09 0.00 -1.73 0.00 0.00 68.15 66.76 2k0f h THR 75 CO -0.02 0.00 0.47 0.44 -0.25 0.00 0.00 175.52 176.16 2k0f h ASP 76 N -0.21 0.62 0.96 5.36 3.32 -1.85 0.68 116.42 125.30 2k0f h ASP 76 Ca 0.16 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2k0f h ASP 76 Cb 0.46 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2k0f h ASP 76 CO -0.43 0.30 0.00 -1.20 -1.72 0.00 0.00 179.24 176.19 2k0f n SER 77 N -4.80 0.36 -0.13 6.45 7.64 -0.41 -2.45 113.62 120.27 2k0f n SER 77 Ca 0.16 0.56 -0.25 0.00 1.01 0.00 0.00 58.87 60.34 2k0f n SER 77 Cb 0.38 -0.64 -0.11 0.00 -1.01 0.00 0.00 64.21 62.83 2k0f n SER 77 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k0f n GLU 78 N -1.86 0.60 -0.23 1.43 2.13 -0.57 -4.53 120.64 117.62 2k0f n GLU 78 Ca 0.05 0.22 0.09 0.00 0.66 0.00 0.00 57.16 58.17 2k0f n GLU 78 Cb 0.30 -1.49 0.36 0.00 0.27 0.00 0.00 31.44 30.88 2k0f n GLU 78 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k0f h GLU 79 N -0.63 0.72 -0.17 5.31 4.57 -0.83 -0.81 114.58 122.74 2k0f h GLU 79 Ca -0.66 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 57.39 2k0f h GLU 79 Cb 1.71 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 30.13 2k0f h GLU 79 CO -0.30 0.47 -0.28 1.05 -1.18 0.00 0.00 179.01 178.77 2k0f h GLU 80 N 0.74 0.31 -0.42 1.92 4.11 -1.74 0.33 114.58 119.83 2k0f h GLU 80 Ca 0.38 -0.12 -0.06 0.00 0.07 0.00 0.00 59.36 59.63 2k0f h GLU 80 Cb 0.46 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2k0f h GLU 80 CO -0.15 0.57 0.03 0.82 0.07 0.00 0.00 179.01 180.35 2k0f h ILE 81 N 0.28 1.25 -0.11 -1.06 1.08 -1.43 -2.01 117.51 115.52 2k0f h ILE 81 Ca 0.04 -0.97 -0.04 0.00 -0.39 0.00 0.00 64.86 63.50 2k0f h ILE 81 Cb 0.65 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 2k0f h ILE 81 CO 0.05 0.33 -0.12 0.03 -0.69 0.00 0.00 178.15 177.75 2k0f h ARG 82 N 0.57 0.16 -0.31 2.37 3.08 -0.92 -0.58 114.38 118.75 2k0f h ARG 82 Ca 0.12 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.97 2k0f h ARG 82 Cb 0.45 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2k0f h ARG 82 CO 0.02 0.30 -0.48 0.93 -1.07 0.00 0.00 179.97 179.66 2k0f h GLU 83 N 0.16 0.84 -0.73 0.04 4.39 -0.21 -1.72 114.58 117.34 2k0f h GLU 83 Ca 0.03 -0.49 -0.03 0.00 0.34 0.00 0.00 59.36 59.21 2k0f h GLU 83 Cb 0.32 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2k0f h GLU 83 CO 0.02 1.13 0.33 0.00 -1.16 0.00 0.00 179.01 179.32 2k0f h ALA 84 N 0.79 1.20 -0.07 3.43 0.00 -0.58 -2.48 119.26 121.55 2k0f h ALA 84 Ca 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2k0f h ALA 84 Cb 1.07 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2k0f h ALA 84 CO 0.11 0.60 0.00 0.35 0.00 0.00 0.00 179.25 180.30 2k0f h PHE 85 N 1.04 0.14 0.00 0.00 3.57 -1.08 -1.68 116.94 118.93 2k0f h PHE 85 Ca 0.25 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 2k0f h PHE 85 Cb 0.14 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 2k0f h PHE 85 CO 0.01 0.39 -0.00 0.00 -2.23 0.00 0.00 178.31 176.48 2k0f h ARG 86 N -0.16 0.00 0.01 1.11 3.08 -1.18 0.14 114.38 117.38 2k0f h ARG 86 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2k0f h ARG 86 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2k0f h ARG 86 CO 0.00 0.00 -0.01 0.28 -1.07 0.00 0.00 179.97 179.18 2k0f h VAL 87 N 0.00 0.98 0.31 2.04 2.07 -1.09 -3.41 116.25 117.14 2k0f h VAL 87 Ca -0.00 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 65.81 2k0f h VAL 87 Cb 0.04 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2k0f h VAL 87 CO 0.00 0.33 -0.15 -0.26 0.02 0.00 0.00 177.57 177.51 2k0f h PHE 88 N -0.99 -0.38 -3.29 1.57 0.04 -0.95 -3.38 116.94 109.56 2k0f h PHE 88 Ca -0.00 -0.01 -0.57 0.00 2.80 0.00 0.00 57.97 60.19 2k0f h PHE 88 Cb 0.55 0.13 -0.09 0.00 2.20 0.00 0.00 35.95 38.74 2k0f h PHE 88 CO 0.15 -0.18 0.82 0.34 -0.60 0.00 0.00 178.31 178.84 2k0f s ASP 89 N -4.89 6.44 -0.11 2.17 2.15 0.44 -4.57 116.67 118.31 2k0f s ASP 89 Ca -0.15 0.01 -0.15 0.00 0.43 0.00 0.00 52.55 52.69 2k0f s ASP 89 Cb 0.04 -2.51 -0.13 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 89 CO 0.63 -1.35 0.46 0.50 -0.17 0.00 0.00 175.17 175.23 2k0f h LYS 90 N 9.41 -0.05 0.73 4.34 3.64 -1.86 -3.40 116.57 129.39 2k0f h LYS 90 Ca -0.25 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.10 2k0f h LYS 90 Cb 1.06 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2k0f h LYS 90 CO 1.14 0.43 -0.35 0.38 -2.27 0.00 0.00 179.45 178.77 2k0f h ASP 91 N -0.98 -0.83 0.00 4.20 3.04 -1.94 -3.48 116.42 116.43 2k0f h ASP 91 Ca -0.00 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 2k0f h ASP 91 Cb 0.49 0.22 0.00 0.00 -1.04 0.00 0.00 39.33 39.00 2k0f h ASP 91 CO 0.01 -0.55 0.00 0.61 -2.04 0.00 0.00 179.24 177.27 2k0f n GLY 92 N -1.32 -0.24 0.07 7.15 0.00 -1.26 -5.06 105.19 104.53 2k0f n GLY 92 Ca -0.14 0.00 0.12 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 0.70 0.00 1.61 6.94 -1.26 -4.92 115.26 118.33 2k0f n ASN 93 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 2k0f n ASN 93 Cb 0.00 0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 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 1.31 1.01 2.75 4.83 0.00 -1.26 -5.05 105.19 108.79 2k0f n GLY 94 Ca 0.02 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 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 0.12 -0.31 1.61 2.02 -1.26 -2.95 117.35 114.58 2k0f s TYR 95 Ca 0.00 0.13 -0.23 0.00 -0.37 0.00 0.00 57.07 56.60 2k0f s TYR 95 Cb 0.00 -0.36 0.00 0.00 -0.40 0.00 0.00 41.96 41.20 2k0f s TYR 95 CO 0.00 -0.14 0.76 0.42 -1.57 0.00 0.00 175.55 175.03 2k0f s ILE 96 N 1.40 4.81 0.61 2.71 1.01 0.78 -4.82 121.20 127.69 2k0f s ILE 96 Ca -0.05 1.09 0.07 0.00 0.00 0.00 0.00 60.65 61.76 2k0f s ILE 96 Cb -0.13 -4.13 0.09 0.00 0.01 0.00 0.00 42.46 38.31 2k0f s ILE 96 CO -0.03 -0.26 0.83 -0.94 0.00 0.00 0.00 174.94 174.55 2k0f s SER 97 N 1.65 4.93 0.30 3.58 1.04 -1.26 -0.83 113.70 123.11 2k0f s SER 97 Ca 0.31 -0.71 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 2k0f s SER 97 Cb -0.14 0.18 0.46 0.00 0.10 0.00 0.00 66.02 66.62 2k0f s SER 97 CO 0.13 -1.45 1.96 0.00 0.98 0.00 0.00 173.24 174.86 2k0f h ALA 98 N 0.02 1.43 0.05 5.32 0.00 -1.96 -3.05 119.26 121.06 2k0f h ALA 98 Ca -0.32 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2k0f h ALA 98 Cb 1.28 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2k0f h ALA 98 CO 0.41 0.51 -0.02 0.00 0.00 0.00 0.00 179.25 180.15 2k0f h ALA 99 N 1.49 -0.07 -0.34 0.00 0.00 -1.99 -1.59 119.26 116.76 2k0f h ALA 99 Ca 0.31 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2k0f h ALA 99 Cb -0.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2k0f h ALA 99 CO -0.08 -0.45 -0.15 0.93 0.00 0.00 0.00 179.25 179.51 2k0f h GLU 100 N -0.24 0.70 0.06 0.00 5.08 -1.89 -2.12 114.58 116.16 2k0f h GLU 100 Ca -0.01 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.08 2k0f h GLU 100 Cb 0.22 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2k0f h GLU 100 CO 0.01 0.90 -0.26 1.25 -1.00 0.00 0.00 179.01 179.91 2k0f h LEU 101 N 0.47 -0.74 -0.90 1.33 5.85 -1.59 -0.23 115.31 119.50 2k0f h LEU 101 Ca 0.08 0.09 0.24 0.00 0.84 0.00 0.00 57.88 59.13 2k0f h LEU 101 Cb 0.68 0.29 -0.14 0.00 0.37 0.00 0.00 40.66 41.87 2k0f h LEU 101 CO 0.05 -0.33 0.34 0.03 -0.34 0.00 0.00 178.44 178.18 2k0f h ARG 102 N -0.43 0.29 0.20 1.25 3.08 -1.10 -2.65 114.38 115.02 2k0f h ARG 102 Ca 0.05 -0.02 -0.31 0.00 0.07 0.00 0.00 59.98 59.77 2k0f h ARG 102 Cb 0.48 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.49 2k0f h ARG 102 CO -0.19 0.19 -1.39 0.45 -1.07 0.00 0.00 179.97 177.96 2k0f h HIS 103 N 0.30 0.76 -0.32 3.04 3.86 -0.99 0.63 115.15 122.43 2k0f h HIS 103 Ca 0.58 -0.56 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 2k0f h HIS 103 Cb 1.17 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.60 2k0f h HIS 103 CO -0.18 1.45 0.12 0.28 0.86 0.00 0.00 177.93 180.46 2k0f h VAL 104 N 0.11 1.13 -0.02 2.45 2.07 -0.94 -1.62 116.25 119.44 2k0f h VAL 104 Ca -0.21 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2k0f h VAL 104 Cb 2.09 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2k0f h VAL 104 CO 0.24 0.15 -0.03 0.24 0.02 0.00 0.00 177.57 178.19 2k0f h MET 105 N 0.45 0.05 -0.40 1.57 2.86 -1.28 -3.00 114.93 115.18 2k0f h MET 105 Ca 0.11 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.78 2k0f h MET 105 Cb 0.10 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.72 2k0f h MET 105 CO -0.01 0.62 0.10 1.15 1.06 0.00 0.00 176.91 179.83 2k0f h THR 106 N -0.51 0.83 0.00 2.22 2.02 -0.45 0.23 112.91 117.25 2k0f h THR 106 Ca 0.00 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2k0f h THR 106 Cb 0.62 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2k0f h THR 106 CO 0.01 0.04 -0.12 0.78 0.37 0.00 0.00 175.52 176.60 2k0f h ASN 107 N 0.24 0.00 -0.01 4.18 2.35 -1.44 -2.99 115.58 117.91 2k0f h ASN 107 Ca 0.19 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 2k0f h ASN 107 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2k0f h ASN 107 CO -0.23 0.12 -0.11 0.25 -1.65 0.00 0.00 177.43 175.81 2k0f h LEU 108 N 0.00 0.11 0.00 1.61 7.12 -1.22 -3.41 115.31 119.52 2k0f h LEU 108 Ca -0.00 -0.73 0.00 0.00 0.13 0.00 0.00 57.88 57.28 2k0f h LEU 108 Cb 0.60 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 2k0f h LEU 108 CO 0.02 0.83 0.00 0.61 -0.13 0.00 0.00 178.44 179.76 2k0f n GLY 109 N 0.90 -0.32 3.26 3.75 0.00 0.42 -4.92 105.19 108.28 2k0f n GLY 109 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 2.96 -0.68 1.61 0.41 0.53 -4.94 118.70 118.58 2k0f s GLU 110 Ca 0.00 -0.85 -0.06 0.00 -0.41 0.00 0.00 54.97 53.65 2k0f s GLU 110 Cb 0.00 -2.31 0.18 0.00 -1.78 0.00 0.00 34.13 30.21 2k0f s GLU 110 CO 0.00 0.25 0.53 0.21 -0.49 0.00 0.00 175.26 175.75 2k0f s LYS 111 N 0.19 2.84 0.39 1.61 2.47 -1.26 -2.30 119.74 123.68 2k0f s LYS 111 Ca -0.13 -2.52 -0.26 0.00 -1.56 0.00 0.00 55.97 51.50 2k0f s LYS 111 Cb -0.16 -3.91 -0.09 0.00 -1.46 0.00 0.00 37.83 32.20 2k0f s LYS 111 CO 0.07 -1.21 1.21 -0.51 0.16 0.00 0.00 175.35 175.07 2k0f s LEU 112 N -0.02 4.22 0.88 5.43 1.43 -1.26 -5.05 118.68 124.32 2k0f s LEU 112 Ca 0.17 2.44 -0.12 0.00 -1.03 0.00 0.00 54.13 55.59 2k0f s LEU 112 Cb -0.18 -3.96 0.12 0.00 0.03 0.00 0.00 46.19 42.21 2k0f s LEU 112 CO -0.05 -0.69 1.14 0.42 0.23 0.00 0.00 176.35 177.40 2k0f s THR 113 N -1.35 2.08 0.21 5.49 -4.23 -1.26 -4.96 115.64 111.62 2k0f s THR 113 Ca 0.56 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 2k0f s THR 113 Cb -0.33 -2.82 -0.06 0.00 1.34 0.00 0.00 72.50 70.63 2k0f s THR 113 CO 0.42 -0.03 1.52 0.44 -0.54 0.00 0.00 174.62 176.42 2k0f h ASP 114 N -1.39 0.45 -0.07 3.99 3.32 -1.99 -2.17 116.42 118.56 2k0f h ASP 114 Ca -0.49 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.30 2k0f h ASP 114 Cb 1.33 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 2k0f h ASP 114 CO 0.63 0.95 0.05 -0.08 -1.72 0.00 0.00 179.24 179.06 2k0f h GLU 115 N 0.30 0.09 0.08 3.56 4.81 -1.98 -1.17 114.58 120.27 2k0f h GLU 115 Ca -0.00 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 115 Cb 1.13 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 2k0f h GLU 115 CO 0.10 0.06 -0.18 0.93 -0.73 0.00 0.00 179.01 179.19 2k0f h GLU 116 N 0.09 -0.32 -0.58 1.92 5.08 -1.91 -0.39 114.58 118.46 2k0f h GLU 116 Ca 0.03 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.53 2k0f h GLU 116 Cb -0.01 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.21 2k0f h GLU 116 CO -0.01 -0.22 -0.09 0.28 -1.00 0.00 0.00 179.01 177.98 2k0f h VAL 117 N -0.34 0.46 -0.52 3.13 2.07 -1.04 0.79 116.25 120.80 2k0f h VAL 117 Ca 0.03 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.45 2k0f h VAL 117 Cb 0.37 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2k0f h VAL 117 CO -0.12 0.01 -0.02 -0.78 0.02 0.00 0.00 177.57 176.68 2k0f h ASP 118 N 0.04 0.92 -0.25 0.57 3.58 -1.06 -2.36 116.42 117.86 2k0f h ASP 118 Ca 0.29 -0.32 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 2k0f h ASP 118 Cb 0.45 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2k0f h ASP 118 CO -0.56 1.01 -0.04 -0.08 -2.88 0.00 0.00 179.24 176.70 2k0f h GLU 119 N 0.80 0.46 -0.10 0.28 4.81 -0.46 -3.11 114.58 117.26 2k0f h GLU 119 Ca 0.15 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 119 Cb 0.55 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 2k0f h GLU 119 CO 0.03 0.67 0.01 0.52 -0.73 0.00 0.00 179.01 179.51 2k0f h MET 120 N 0.22 0.17 -0.60 1.92 2.86 -0.75 -1.27 114.93 117.47 2k0f h MET 120 Ca 0.07 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 2k0f h MET 120 Cb 0.49 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2k0f h MET 120 CO 0.02 0.39 0.02 0.82 1.06 0.00 0.00 176.91 179.23 2k0f h ILE 121 N -0.07 1.26 -0.75 -1.22 1.08 -1.56 -2.71 117.51 113.54 2k0f h ILE 121 Ca 0.03 -1.11 0.02 0.00 -0.39 0.00 0.00 64.86 63.41 2k0f h ILE 121 Cb 0.31 0.77 -0.04 0.00 -3.07 0.00 0.00 36.82 34.79 2k0f h ILE 121 CO 0.00 0.40 0.49 -0.09 -0.69 0.00 0.00 178.15 178.27 2k0f h ARG 122 N 0.96 0.94 -0.71 2.37 2.43 -1.43 0.11 114.38 119.05 2k0f h ARG 122 Ca 0.18 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2k0f h ARG 122 Cb 0.52 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 2k0f h ARG 122 CO 0.03 0.62 0.36 1.49 -1.51 0.00 0.00 179.97 180.96 2k0f h GLU 123 N 0.97 1.01 0.00 0.20 4.81 -1.17 -3.29 114.58 117.11 2k0f h GLU 123 Ca 0.28 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2k0f h GLU 123 Cb -0.05 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 2k0f h GLU 123 CO -0.07 0.78 -0.56 0.00 -0.73 0.00 0.00 179.01 178.43 2k0f h ALA 124 N 1.18 0.73 -2.29 2.92 0.00 -0.82 -3.46 119.26 117.52 2k0f h ALA 124 Ca 0.25 -0.08 -0.49 0.00 0.00 0.00 0.00 54.91 54.59 2k0f h ALA 124 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k0f h ALA 124 CO -0.03 0.10 0.13 0.34 0.00 0.00 0.00 179.25 179.78 2k0f s ASP 125 N -5.82 6.73 -0.18 0.00 -1.08 0.24 -4.61 116.67 111.95 2k0f s ASP 125 Ca 0.03 1.29 -0.12 0.00 -0.52 0.00 0.00 52.55 53.23 2k0f s ASP 125 Cb 0.07 -2.38 -0.08 0.00 -1.46 0.00 0.00 42.92 39.08 2k0f s ASP 125 CO 0.74 -0.27 -0.27 -0.38 0.52 0.00 0.00 175.17 175.51 2k0f n ILE 126 N -0.60 1.26 0.12 4.11 5.41 -1.26 -4.75 119.36 123.64 2k0f n ILE 126 Ca 0.04 -0.14 -0.01 0.00 1.00 0.00 0.00 62.75 63.63 2k0f n ILE 126 Cb 0.53 -1.91 0.07 0.00 -0.71 0.00 0.00 39.64 37.62 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -0.77 0.00 0.00 4.38 3.04 -1.94 -3.48 116.42 117.65 2k0f h ASP 127 Ca -0.37 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.42 2k0f h ASP 127 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 2k0f h ASP 127 CO -0.23 0.68 0.00 0.61 -2.04 0.00 0.00 179.24 178.27 2k0f n GLY 128 N 0.84 0.89 0.19 7.15 0.00 -1.26 -5.00 105.19 108.00 2k0f n GLY 128 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.72 0.00 1.61 3.04 -1.98 -3.48 116.42 116.33 2k0f h ASP 129 Ca 0.00 -0.52 0.00 0.00 -3.24 0.00 0.00 57.03 53.27 2k0f h ASP 129 Cb 0.00 -0.22 0.00 0.00 -1.04 0.00 0.00 39.33 38.07 2k0f h ASP 129 CO 0.00 1.31 0.00 0.61 -2.04 0.00 0.00 179.24 179.12 2k0f n GLY 130 N 0.81 1.63 2.98 7.15 0.00 -1.26 -5.13 105.19 111.37 2k0f n GLY 130 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N -0.15 0.69 -0.52 1.61 -0.21 -1.26 -4.58 119.66 115.23 2k0f s GLN 131 Ca 0.00 -0.24 -0.21 0.00 0.02 0.00 0.00 55.36 54.93 2k0f s GLN 131 Cb 0.00 -0.67 0.05 0.00 1.00 0.00 0.00 33.01 33.40 2k0f s GLN 131 CO 0.00 0.11 0.72 0.08 -2.12 0.00 0.00 175.29 174.08 2k0f s VAL 132 N 0.07 4.73 0.95 1.09 1.01 -0.01 -4.81 120.40 123.42 2k0f s VAL 132 Ca -0.01 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 2k0f s VAL 132 Cb -0.06 -4.38 0.22 0.00 0.00 0.00 0.00 36.38 32.16 2k0f s VAL 132 CO -0.00 -0.91 1.23 -0.46 0.00 0.00 0.00 175.10 174.96 2k0f n ASN 133 N 6.57 -0.13 -0.03 3.32 0.23 -1.26 -0.16 115.26 123.80 2k0f n ASN 133 Ca -0.04 -1.42 -0.07 0.00 -0.53 0.00 0.00 54.58 52.52 2k0f n ASN 133 Cb 0.46 -0.96 0.12 0.00 -2.08 0.00 0.00 39.78 37.32 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 -1.82 0.71 -0.22 -2.53 3.20 -1.95 -0.95 116.97 113.41 2k0f h TYR 134 Ca -0.40 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.28 2k0f h TYR 134 Cb 1.12 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 2k0f h TYR 134 CO 0.00 0.86 0.12 1.49 -1.64 0.00 0.00 178.16 178.99 2k0f h GLU 135 N 0.52 0.31 -0.41 1.82 4.81 -1.93 -1.92 114.58 117.78 2k0f h GLU 135 Ca 0.06 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 135 Cb 0.81 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2k0f h GLU 135 CO 0.07 0.29 -0.22 0.93 -0.73 0.00 0.00 179.01 179.34 2k0f h GLU 136 N 0.25 0.87 -0.77 1.92 5.08 -1.86 -1.84 114.58 118.22 2k0f h GLU 136 Ca 0.08 -0.39 0.16 0.00 -1.00 0.00 0.00 59.36 58.21 2k0f h GLU 136 Cb 0.07 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.19 2k0f h GLU 136 CO -0.01 1.03 0.27 0.35 -1.00 0.00 0.00 179.01 179.65 2k0f h PHE 137 N 0.68 0.45 -0.17 4.33 3.57 -1.19 -2.05 116.94 122.55 2k0f h PHE 137 Ca 0.09 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.46 2k0f h PHE 137 Cb 0.79 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.45 2k0f h PHE 137 CO 0.06 -0.01 -0.55 0.28 -2.23 0.00 0.00 178.31 175.86 2k0f h VAL 138 N 0.37 1.32 -0.58 1.41 2.07 -0.87 -0.23 116.25 119.75 2k0f h VAL 138 Ca 0.44 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 2k0f h VAL 138 Cb 0.73 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 2k0f h VAL 138 CO -0.46 0.56 0.24 -0.61 0.02 0.00 0.00 177.57 177.31 2k0f h GLN 139 N 0.37 0.83 0.21 1.57 5.75 -1.30 -3.11 115.11 119.44 2k0f h GLN 139 Ca -0.02 -0.12 -0.35 0.00 -0.15 0.00 0.00 58.65 58.01 2k0f h GLN 139 Cb 1.17 -0.15 0.02 0.00 1.07 0.00 0.00 27.48 29.59 2k0f h GLN 139 CO 0.12 0.68 -1.67 1.98 -2.65 0.00 0.00 178.83 177.29 2k0f h MET 140 N 0.83 0.45 0.13 1.69 4.05 -1.15 -3.39 114.93 117.53 2k0f h MET 140 Ca 0.20 -0.77 -0.18 0.00 -0.28 0.00 0.00 59.70 58.67 2k0f h MET 140 Cb 0.15 0.29 0.02 0.00 -0.80 0.00 0.00 31.60 31.26 2k0f h MET 140 CO -0.02 1.37 -0.78 1.98 0.23 0.00 0.00 176.91 179.69 2k0f h MET 141 N 0.12 0.30 0.00 0.39 1.85 -1.08 -3.51 114.93 113.00 2k0f h MET 141 Ca -0.32 -0.50 0.00 0.00 -0.61 0.00 0.00 59.70 58.27 2k0f h MET 141 Cb 2.13 0.18 0.00 0.00 0.43 0.00 0.00 31.60 34.34 2k0f h MET 141 CO 0.21 1.23 0.00 0.25 -0.40 0.00 0.00 176.91 178.20