#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 0.36 -0.68 -0.78 3.07 -2.05 -2.81 114.58 111.68 2k0f h GLU 2 Ca 0.00 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.88 2k0f h GLU 2 Cb 0.00 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 27.78 2k0f h GLU 2 CO 0.00 0.24 0.40 1.49 -1.40 0.00 0.00 179.01 179.74 2k0f h GLU 3 N 0.37 0.74 -0.21 2.33 4.81 -2.05 -2.58 114.58 117.98 2k0f h GLU 3 Ca 0.56 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.70 2k0f h GLU 3 Cb 1.08 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 2k0f h GLU 3 CO -0.55 0.49 -0.06 1.96 -0.73 0.00 0.00 179.01 180.12 2k0f h GLN 4 N 0.77 0.42 -0.62 1.92 1.08 -1.94 -2.13 115.11 114.61 2k0f h GLN 4 Ca 0.29 -0.17 0.06 0.00 -1.45 0.00 0.00 58.65 57.38 2k0f h GLN 4 Cb 0.11 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 2k0f h GLN 4 CO -0.15 0.67 0.41 0.82 -0.95 0.00 0.00 178.83 179.64 2k0f h ILE 5 N 0.14 1.01 0.00 2.54 1.08 -1.46 -0.38 117.51 120.44 2k0f h ILE 5 Ca 0.05 -0.22 -0.19 0.00 -0.39 0.00 0.00 64.86 64.12 2k0f h ILE 5 Cb 0.53 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 2k0f h ILE 5 CO 0.02 0.12 -0.90 0.00 -0.69 0.00 0.00 178.15 176.70 2k0f h ALA 6 N 1.66 0.52 -0.16 1.87 0.00 -1.45 0.67 119.26 122.36 2k0f h ALA 6 Ca 0.27 -0.81 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 2k0f h ALA 6 Cb 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2k0f h ALA 6 CO -0.08 1.12 -0.15 1.49 0.00 0.00 0.00 179.25 181.63 2k0f h GLU 7 N 0.00 0.39 -0.93 0.00 4.57 -0.46 -0.66 114.58 117.49 2k0f h GLU 7 Ca -0.01 -0.20 0.02 0.00 -1.18 0.00 0.00 59.36 57.99 2k0f h GLU 7 Cb 1.59 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 30.13 2k0f h GLU 7 CO 0.12 0.76 0.62 0.74 -1.18 0.00 0.00 179.01 180.06 2k0f h PHE 8 N 0.04 1.16 -0.04 0.92 0.04 -1.14 -1.60 116.94 116.31 2k0f h PHE 8 Ca 0.03 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 2k0f h PHE 8 Cb 0.68 -0.39 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 2k0f h PHE 8 CO 0.08 0.71 0.02 -0.22 -0.60 0.00 0.00 178.31 178.29 2k0f h LYS 9 N 1.23 0.06 0.00 1.51 3.11 -0.67 -0.57 116.57 121.23 2k0f h LYS 9 Ca 0.35 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 58.16 2k0f h LYS 9 Cb -0.08 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.13 2k0f h LYS 9 CO -0.09 0.21 -0.08 0.93 -2.81 0.00 0.00 179.45 177.60 2k0f h GLU 10 N -0.10 0.00 0.16 1.90 4.39 -0.74 -2.15 114.58 118.05 2k0f h GLU 10 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2k0f h GLU 10 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2k0f h GLU 10 CO -0.00 0.08 -0.08 0.00 -1.16 0.00 0.00 179.01 177.86 2k0f h ALA 11 N 1.92 -0.21 -0.52 3.43 0.00 -1.23 -3.33 119.26 119.32 2k0f h ALA 11 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2k0f h ALA 11 Cb 0.15 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2k0f h ALA 11 CO 0.01 -0.45 0.17 0.35 0.00 0.00 0.00 179.25 179.33 2k0f h PHE 12 N -0.55 0.77 -1.52 0.00 3.04 -0.91 -2.20 116.94 115.58 2k0f h PHE 12 Ca -0.02 -0.05 0.45 0.00 3.98 0.00 0.00 57.97 62.33 2k0f h PHE 12 Cb 0.42 -0.23 -0.09 0.00 2.56 0.00 0.00 35.95 38.61 2k0f h PHE 12 CO 0.03 0.62 1.06 0.77 -2.02 0.00 0.00 178.31 178.77 2k0f h SER 13 N 0.74 0.10 -0.03 0.41 0.02 -1.49 0.62 113.55 113.92 2k0f h SER 13 Ca 0.17 0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 61.01 2k0f h SER 13 Cb 0.20 0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.79 2k0f h SER 13 CO -0.01 -0.05 -0.60 -0.07 -1.14 0.00 0.00 176.83 174.96 2k0f h LEU 14 N 0.05 0.58 0.32 5.07 3.38 -1.53 -3.34 115.31 119.84 2k0f h LEU 14 Ca 0.78 -0.72 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2k0f h LEU 14 Cb 2.88 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 43.46 2k0f h LEU 14 CO -0.15 1.22 -0.15 -0.26 0.09 0.00 0.00 178.44 179.19 2k0f h PHE 15 N -0.01 -0.39 -2.28 1.13 0.04 -1.62 -3.43 116.94 110.38 2k0f h PHE 15 Ca -0.07 -0.01 -0.52 0.00 2.80 0.00 0.00 57.97 60.17 2k0f h PHE 15 Cb 1.28 0.13 -0.04 0.00 2.20 0.00 0.00 35.95 39.53 2k0f h PHE 15 CO 0.13 -0.05 1.28 0.34 -0.60 0.00 0.00 178.31 179.41 2k0f s ASP 16 N -5.09 5.57 0.03 2.17 2.15 0.19 -4.80 116.67 116.90 2k0f s ASP 16 Ca -0.14 0.48 0.28 0.00 0.43 0.00 0.00 52.55 53.61 2k0f s ASP 16 Cb 0.02 -2.53 1.15 0.00 -0.30 0.00 0.00 42.92 41.25 2k0f s ASP 16 CO 0.51 -2.11 1.88 1.17 -0.17 0.00 0.00 175.17 176.45 2k0f n LYS 17 N 8.95 0.04 -0.11 4.34 4.81 -1.26 -3.14 118.16 131.79 2k0f n LYS 17 Ca 0.19 0.05 -0.22 0.00 -0.87 0.00 0.00 58.31 57.46 2k0f n LYS 17 Cb 0.50 -1.55 -0.08 0.00 0.02 0.00 0.00 35.03 33.93 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k0f n ASP 18 N -1.61 1.72 -0.55 3.14 8.00 -1.26 -5.03 116.55 120.95 2k0f n ASP 18 Ca 0.07 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2k0f n ASP 18 Cb 0.34 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.81 0.79 0.12 0.44 0.00 -1.19 -5.04 105.19 102.12 2k0f n GLY 19 Ca -0.42 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 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 0.28 0.00 1.61 2.03 -1.96 -3.49 116.42 114.89 2k0f h ASP 20 Ca 0.00 -0.79 0.00 0.00 -0.73 0.00 0.00 57.03 55.51 2k0f h ASP 20 Cb 0.82 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.23 2k0f h ASP 20 CO 0.00 1.61 0.00 0.61 -1.03 0.00 0.00 179.24 180.43 2k0f n GLY 21 N 1.71 0.76 3.10 7.15 0.00 -1.26 -5.13 105.19 111.52 2k0f n GLY 21 Ca -0.28 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.42 0.75 -0.17 2.61 -4.23 -1.26 -3.62 115.64 108.30 2k0f s THR 22 Ca 0.00 -1.10 -0.04 0.00 -1.18 0.00 0.00 61.69 59.37 2k0f s THR 22 Cb 0.00 -0.77 -0.02 0.00 1.34 0.00 0.00 72.50 73.05 2k0f s THR 22 CO 0.00 -0.28 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.14 2k0f s ILE 23 N -1.24 3.79 0.49 2.99 1.01 0.16 -4.79 121.20 123.62 2k0f s ILE 23 Ca -0.06 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.28 2k0f s ILE 23 Cb -0.09 -2.68 0.07 0.00 0.01 0.00 0.00 42.46 39.77 2k0f s ILE 23 CO 0.01 0.47 0.60 0.35 0.00 0.00 0.00 174.94 176.37 2k0f n THR 24 N 3.86 0.00 -0.10 2.92 -2.24 -1.26 -1.76 114.28 115.71 2k0f n THR 24 Ca -0.17 -1.71 -0.10 0.00 -2.27 0.00 0.00 64.05 59.80 2k0f n THR 24 Cb 0.52 -0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 2k0f n THR 24 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2k0f h THR 25 N 0.22 1.21 0.07 4.28 1.35 -1.92 -2.90 112.91 115.22 2k0f h THR 25 Ca -0.25 -0.68 -0.00 0.00 -0.55 0.00 0.00 66.41 64.93 2k0f h THR 25 Cb 1.07 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2k0f h THR 25 CO 0.36 0.23 -0.05 0.11 -0.25 0.00 0.00 175.52 175.92 2k0f h LYS 26 N 0.32 -0.11 0.00 4.72 1.57 -1.97 -1.23 116.57 119.86 2k0f h LYS 26 Ca 0.09 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2k0f h LYS 26 Cb 0.27 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2k0f h LYS 26 CO -0.00 -0.07 -0.01 0.93 -0.57 0.00 0.00 179.45 179.73 2k0f h GLU 27 N -0.12 0.00 0.13 3.15 5.08 -1.84 -0.74 114.58 120.23 2k0f h GLU 27 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2k0f h GLU 27 Cb 0.10 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.37 2k0f h GLU 27 CO 0.00 0.01 -0.75 -0.07 -1.00 0.00 0.00 179.01 177.20 2k0f h LEU 28 N 0.00 0.41 -0.63 1.33 3.38 -1.25 -3.36 115.31 115.19 2k0f h LEU 28 Ca -0.00 -0.95 -0.10 0.00 0.09 0.00 0.00 57.88 56.91 2k0f h LEU 28 Cb 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2k0f h LEU 28 CO 0.00 1.36 -0.04 1.23 0.09 0.00 0.00 178.44 181.08 2k0f h GLY 29 N -0.43 1.12 0.27 0.83 0.00 -0.31 -0.74 103.07 103.81 2k0f h GLY 29 Ca -0.13 -0.85 0.15 0.00 0.00 0.00 0.00 47.33 46.50 2k0f h GLY 29 CO 0.13 0.78 0.55 0.00 0.00 0.00 0.00 176.54 178.00 2k0f h THR 30 N 0.94 0.78 -0.39 4.70 1.03 -1.40 -0.57 112.91 117.99 2k0f h THR 30 Ca 0.16 -0.27 -0.13 0.00 -0.01 0.00 0.00 66.41 66.16 2k0f h THR 30 Cb 0.60 -0.07 -0.01 0.00 -1.07 0.00 0.00 68.15 67.60 2k0f h THR 30 CO 0.04 0.14 -0.26 0.58 -0.01 0.00 0.00 175.52 176.01 2k0f h VAL 31 N 0.78 1.28 -0.33 0.00 2.07 -1.43 0.22 116.25 118.83 2k0f h VAL 31 Ca 0.51 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 2k0f h VAL 31 Cb 0.68 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2k0f h VAL 31 CO -0.34 0.48 0.15 0.24 0.02 0.00 0.00 177.57 178.12 2k0f h MET 32 N 0.69 0.49 0.22 1.57 2.86 -1.08 -2.70 114.93 116.98 2k0f h MET 32 Ca 0.08 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2k0f h MET 32 Cb 0.84 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.42 2k0f h MET 32 CO 0.07 0.46 -0.11 -0.09 1.06 0.00 0.00 176.91 178.31 2k0f h ARG 33 N 0.40 -0.29 -0.47 1.72 2.43 -0.82 0.18 114.38 117.53 2k0f h ARG 33 Ca 0.11 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.44 2k0f h ARG 33 Cb 0.14 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2k0f h ARG 33 CO -0.01 -0.01 0.40 0.77 -1.51 0.00 0.00 179.97 179.61 2k0f h SER 34 N -0.55 0.00 0.00 -3.80 0.02 -0.53 -2.97 113.55 105.72 2k0f h SER 34 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2k0f h SER 34 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2k0f h SER 34 CO 0.05 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.92 2k0f n LEU 35 N -4.05 0.07 0.00 5.07 4.77 -1.02 -4.32 117.00 117.51 2k0f n LEU 35 Ca 0.09 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 2k0f n LEU 35 Cb 0.61 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2k0f n LEU 35 CO 0.32 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.51 2k0f n GLY 36 N 1.60 -1.85 3.64 -0.72 0.00 0.46 -5.10 105.19 103.22 2k0f n GLY 36 Ca 0.00 0.83 -0.04 0.00 0.00 0.00 0.00 46.02 46.82 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N 0.00 0.35 -0.57 1.61 2.00 -0.27 -4.94 119.66 117.83 2k0f s GLN 37 Ca 0.00 0.54 -0.10 0.00 -2.00 0.00 0.00 55.36 53.80 2k0f s GLN 37 Cb 0.00 0.10 0.15 0.00 0.80 0.00 0.00 33.01 34.06 2k0f s GLN 37 CO 0.00 -0.06 0.47 -0.80 -0.50 0.00 0.00 175.29 174.39 2k0f s ASN 38 N 0.94 5.92 0.66 6.67 -0.87 -1.26 -2.56 114.94 124.44 2k0f s ASN 38 Ca -0.05 -2.18 -0.05 0.00 -1.57 0.00 0.00 52.86 49.01 2k0f s ASN 38 Cb -0.04 -2.06 0.05 0.00 -0.02 0.00 0.00 41.25 39.18 2k0f s ASN 38 CO -0.12 -0.65 0.95 -2.16 -2.57 0.00 0.00 177.10 172.55 2k0f s PRO 39 N 0.96 2.36 0.46 -0.60 0.04 -1.26 -5.10 135.00 131.86 2k0f s PRO 39 Ca 0.09 -0.33 0.04 0.00 0.04 0.00 0.00 61.00 60.85 2k0f s PRO 39 Cb -0.23 -2.25 0.08 0.00 0.04 0.00 0.00 34.50 32.15 2k0f s PRO 39 CO -0.02 -1.06 0.64 0.25 0.04 0.00 0.00 177.00 176.84 2k0f n THR 40 N -2.76 0.00 0.07 1.26 -2.24 -1.26 -5.02 114.28 104.33 2k0f n THR 40 Ca 0.07 -1.30 -0.12 0.00 -2.27 0.00 0.00 64.05 60.43 2k0f n THR 40 Cb 0.60 -0.79 -0.13 0.00 -2.10 0.00 0.00 70.33 67.91 2k0f n THR 40 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2k0f h GLU 41 N 0.00 0.14 -0.96 -0.78 5.08 -1.99 -3.17 114.58 112.91 2k0f h GLU 41 Ca -0.21 -0.25 0.09 0.00 -1.00 0.00 0.00 59.36 57.99 2k0f h GLU 41 Cb 0.90 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.17 2k0f h GLU 41 CO 0.27 1.07 0.62 0.00 -1.00 0.00 0.00 179.01 179.97 2k0f h ALA 42 N 0.76 1.52 -0.31 3.43 0.00 -1.99 -0.97 119.26 121.70 2k0f h ALA 42 Ca -0.11 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2k0f h ALA 42 Cb 1.90 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2k0f h ALA 42 CO 0.16 0.30 -0.26 1.05 0.00 0.00 0.00 179.25 180.51 2k0f h GLU 43 N 1.03 0.61 -0.55 0.00 4.11 -1.97 -2.47 114.58 115.33 2k0f h GLU 43 Ca 0.44 -0.25 -0.05 0.00 0.07 0.00 0.00 59.36 59.57 2k0f h GLU 43 Cb 0.32 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2k0f h GLU 43 CO -0.19 0.81 0.13 -0.07 0.07 0.00 0.00 179.01 179.76 2k0f h LEU 44 N 0.53 0.80 -0.96 3.06 3.38 -1.25 -1.87 115.31 119.00 2k0f h LEU 44 Ca 0.07 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 2k0f h LEU 44 Cb 0.72 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2k0f h LEU 44 CO 0.06 0.78 -0.46 1.56 0.09 0.00 0.00 178.44 180.47 2k0f h GLN 45 N 0.82 0.00 -0.08 1.13 4.20 -1.14 -0.02 115.11 120.02 2k0f h GLN 45 Ca 0.18 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.71 2k0f h GLN 45 Cb 0.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 2k0f h GLN 45 CO -0.00 0.46 -0.72 0.22 -0.67 0.00 0.00 178.83 178.12 2k0f h ASP 46 N 0.00 0.49 -0.01 1.46 3.58 -1.18 -2.39 116.42 118.37 2k0f h ASP 46 Ca -0.00 -0.32 -0.10 0.00 0.42 0.00 0.00 57.03 57.02 2k0f h ASP 46 Cb 0.91 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 2k0f h ASP 46 CO 0.06 1.06 -0.30 -0.03 -2.88 0.00 0.00 179.24 177.15 2k0f h MET 47 N 0.29 0.45 -0.12 0.28 4.05 -0.61 -1.74 114.93 117.53 2k0f h MET 47 Ca -0.03 -0.18 -0.01 0.00 -0.28 0.00 0.00 59.70 59.20 2k0f h MET 47 Cb 1.29 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.07 2k0f h MET 47 CO 0.12 0.71 0.05 0.82 0.23 0.00 0.00 176.91 178.84 2k0f h ILE 48 N 0.39 1.14 0.00 1.77 1.08 -0.89 -3.29 117.51 117.71 2k0f h ILE 48 Ca 0.05 -0.40 -0.06 0.00 -0.39 0.00 0.00 64.86 64.06 2k0f h ILE 48 Cb 0.72 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.65 2k0f h ILE 48 CO 0.06 0.12 -0.29 0.78 -0.69 0.00 0.00 178.15 178.13 2k0f h ASN 49 N 0.05 0.00 0.12 1.72 2.35 -0.80 0.37 115.58 119.39 2k0f h ASN 49 Ca 0.04 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2k0f h ASN 49 Cb 0.15 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.47 2k0f h ASN 49 CO -0.00 0.29 -0.52 -0.08 -1.65 0.00 0.00 177.43 175.47 2k0f h GLU 50 N 0.00 -0.71 0.04 0.81 4.57 -1.56 -3.33 114.58 114.39 2k0f h GLU 50 Ca -0.00 0.05 -0.31 0.00 -1.18 0.00 0.00 59.36 57.92 2k0f h GLU 50 Cb 0.64 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.35 2k0f h GLU 50 CO 0.04 -0.48 -1.71 -0.39 -1.18 0.00 0.00 179.01 175.29 2k0f h VAL 51 N -0.74 0.88 -3.66 0.32 -1.51 -1.31 -3.46 116.25 106.78 2k0f h VAL 51 Ca -0.01 -2.67 -0.56 0.00 -1.23 0.00 0.00 66.70 62.23 2k0f h VAL 51 Cb 0.74 2.51 -0.07 0.00 -2.13 0.00 0.00 31.29 32.34 2k0f h VAL 51 CO -0.28 0.65 0.95 -0.62 -1.23 0.00 0.00 177.57 177.04 2k0f s ASP 52 N -6.46 6.59 -0.08 4.19 2.15 0.12 -4.92 116.67 118.26 2k0f s ASP 52 Ca -0.09 0.50 -0.08 0.00 0.43 0.00 0.00 52.55 53.31 2k0f s ASP 52 Cb 0.08 -2.55 -0.06 0.00 -0.30 0.00 0.00 42.92 40.09 2k0f s ASP 52 CO 0.82 -1.29 0.31 0.00 -0.17 0.00 0.00 175.17 174.84 2k0f h ALA 53 N 9.43 -0.18 -0.19 3.66 0.00 -1.88 -3.41 119.26 126.69 2k0f h ALA 53 Ca -0.24 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 2k0f h ALA 53 Cb 1.07 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2k0f h ALA 53 CO 1.13 -0.18 -0.36 0.38 0.00 0.00 0.00 179.25 180.21 2k0f h ASP 54 N -1.03 0.66 0.00 0.00 3.04 -1.95 -3.48 116.42 113.66 2k0f h ASP 54 Ca -0.02 -0.54 0.00 0.00 -3.24 0.00 0.00 57.03 53.23 2k0f h ASP 54 Cb 0.23 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 38.34 2k0f h ASP 54 CO 0.03 1.08 0.00 0.61 -2.04 0.00 0.00 179.24 178.92 2k0f n GLY 55 N 0.39 1.35 0.00 7.15 0.00 -1.26 -4.99 105.19 107.83 2k0f n GLY 55 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.04 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.00 0.00 1.61 0.23 -1.26 -4.91 115.26 110.93 2k0f n ASN 56 Ca 0.00 -0.31 0.00 0.00 -0.53 0.00 0.00 54.58 53.74 2k0f n ASN 56 Cb 0.00 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.62 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N -0.05 0.83 3.26 4.83 0.00 -1.26 -5.03 105.19 107.76 2k0f n GLY 57 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.28 1.48 -0.44 2.61 -4.23 -1.26 -4.62 115.64 105.89 2k0f s THR 58 Ca 0.00 -1.73 -0.23 0.00 -1.18 0.00 0.00 61.69 58.56 2k0f s THR 58 Cb 0.00 -1.59 0.02 0.00 1.34 0.00 0.00 72.50 72.28 2k0f s THR 58 CO 0.00 -0.34 0.76 -0.51 -0.54 0.00 0.00 174.62 173.99 2k0f s ILE 59 N -1.97 4.69 0.94 2.99 2.07 -0.72 -4.72 121.20 124.48 2k0f s ILE 59 Ca 0.10 0.40 -0.16 0.00 -1.41 0.00 0.00 60.65 59.58 2k0f s ILE 59 Cb -0.06 -4.29 0.23 0.00 0.13 0.00 0.00 42.46 38.46 2k0f s ILE 59 CO 0.04 -0.68 1.01 0.47 -1.91 0.00 0.00 174.94 173.87 2k0f n ASP 60 N 6.62 -1.03 0.27 4.50 8.00 -1.26 -0.66 116.55 132.99 2k0f n ASP 60 Ca 0.02 -1.21 -0.11 0.00 0.71 0.00 0.00 54.79 54.20 2k0f n ASP 60 Cb 0.48 -0.85 -0.05 0.00 -0.02 0.00 0.00 41.12 40.68 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2k0f h PHE 61 N -2.14 -0.64 0.00 1.24 3.57 -1.95 -2.78 116.94 114.25 2k0f h PHE 61 Ca -0.35 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.13 2k0f h PHE 61 Cb 1.03 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.98 2k0f h PHE 61 CO 0.00 -0.40 0.00 -0.35 -2.23 0.00 0.00 178.31 175.33 2k0f n PRO 62 N -4.08 0.30 -0.04 6.41 -0.04 -1.26 -2.20 135.00 134.09 2k0f n PRO 62 Ca -0.09 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.16 2k0f n PRO 62 Cb 0.27 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.10 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 0.15 -0.88 0.54 5.08 -1.86 -1.59 114.58 116.01 2k0f h GLU 63 Ca 0.00 -0.25 0.15 0.00 -1.00 0.00 0.00 59.36 58.26 2k0f h GLU 63 Cb 0.00 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.25 2k0f h GLU 63 CO 0.00 1.12 0.47 0.35 -1.00 0.00 0.00 179.01 179.95 2k0f h PHE 64 N -0.50 0.83 -0.42 4.33 3.57 -1.24 -2.24 116.94 121.28 2k0f h PHE 64 Ca -0.34 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.08 2k0f h PHE 64 Cb 1.63 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 40.12 2k0f h PHE 64 CO 0.11 0.20 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.14 2k0f h LEU 65 N 0.67 0.82 -0.75 0.59 3.38 -1.48 -2.33 115.31 116.21 2k0f h LEU 65 Ca 0.48 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 58.24 2k0f h LEU 65 Cb 0.68 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 2k0f h LEU 65 CO -0.36 0.99 0.43 0.74 0.09 0.00 0.00 178.44 180.33 2k0f h THR 66 N 0.72 0.97 0.10 0.22 2.02 -1.00 -2.92 112.91 113.01 2k0f h THR 66 Ca 0.10 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 2k0f h THR 66 Cb 0.70 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2k0f h THR 66 CO 0.05 0.14 -0.05 -0.03 0.37 0.00 0.00 175.52 176.01 2k0f h MET 67 N 0.78 -0.13 -0.00 6.66 1.85 -1.00 -3.37 114.93 119.72 2k0f h MET 67 Ca 0.34 0.01 -0.19 0.00 -0.61 0.00 0.00 59.70 59.25 2k0f h MET 67 Cb 0.22 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.27 2k0f h MET 67 CO -0.19 0.37 -0.85 0.52 -0.40 0.00 0.00 176.91 176.36 2k0f h MET 68 N -0.73 0.18 0.00 0.39 2.07 -1.50 -3.01 114.93 112.33 2k0f h MET 68 Ca -0.01 -0.19 0.00 0.00 -2.07 0.00 0.00 59.70 57.42 2k0f h MET 68 Cb 0.56 0.05 0.00 0.00 -1.87 0.00 0.00 31.60 30.34 2k0f h MET 68 CO 0.02 0.93 0.00 0.00 1.07 0.00 0.00 176.91 178.93 2k0f n ALA 69 N -2.46 2.64 -2.30 6.32 0.00 -1.10 -4.75 120.51 118.86 2k0f n ALA 69 Ca -0.03 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 2k0f n ALA 69 Cb 0.79 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.00 4.08 -0.50 0.00 3.52 -1.14 -4.97 118.95 117.94 2k0f s ARG 70 Ca 0.38 1.66 -0.26 0.00 -0.13 0.00 0.00 55.73 57.37 2k0f s ARG 70 Cb 0.17 -3.87 0.03 0.00 -1.56 0.00 0.00 34.95 29.72 2k0f s ARG 70 CO 0.29 -0.92 1.02 0.21 -0.81 0.00 0.00 175.30 175.10 2k0f s LYS 71 N 3.93 3.53 0.91 5.12 2.47 -1.26 -5.01 119.74 129.43 2k0f s LYS 71 Ca 0.61 0.19 -0.12 0.00 -1.56 0.00 0.00 55.97 55.09 2k0f s LYS 71 Cb -0.23 -3.96 0.14 0.00 -1.46 0.00 0.00 37.83 32.31 2k0f s LYS 71 CO 0.21 -1.39 1.10 -1.64 0.16 0.00 0.00 175.35 173.79 2k0f s MET 72 N 4.17 1.16 0.96 4.03 -1.94 -1.26 -5.07 119.30 121.35 2k0f s MET 72 Ca 0.39 0.71 -0.16 0.00 -1.71 0.00 0.00 55.69 54.92 2k0f s MET 72 Cb -0.09 -1.81 0.19 0.00 2.01 0.00 0.00 34.83 35.13 2k0f s MET 72 CO 0.26 -2.28 1.29 -1.59 -0.01 0.00 0.00 175.02 172.70 2k0f s LYS 73 N -4.98 0.66 0.06 2.03 -2.85 -1.26 -4.81 119.74 108.58 2k0f s LYS 73 Ca 0.64 -0.32 -0.25 0.00 -1.00 0.00 0.00 55.97 55.03 2k0f s LYS 73 Cb -0.17 -1.84 -0.17 0.00 -2.06 0.00 0.00 37.83 33.59 2k0f s LYS 73 CO 0.57 -2.41 1.58 -0.44 0.10 0.00 0.00 175.35 174.74 2k0f h ASP 74 N -1.64 -0.16 -0.02 0.03 5.19 -1.97 -0.67 116.42 117.17 2k0f h ASP 74 Ca -0.45 -0.10 -0.12 0.00 -0.62 0.00 0.00 57.03 55.74 2k0f h ASP 74 Cb 1.25 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.79 2k0f h ASP 74 CO 0.41 -0.00 -0.36 0.71 -3.12 0.00 0.00 179.24 176.88 2k0f h THR 75 N -0.32 1.29 -0.46 0.35 1.35 -1.98 -0.26 112.91 112.88 2k0f h THR 75 Ca -0.02 -1.48 -0.12 0.00 -0.55 0.00 0.00 66.41 64.24 2k0f h THR 75 Cb 0.25 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 2k0f h THR 75 CO 0.03 0.47 -0.20 0.44 -0.25 0.00 0.00 175.52 176.01 2k0f h ASP 76 N 0.43 0.93 0.45 5.36 3.32 -1.92 -2.03 116.42 122.97 2k0f h ASP 76 Ca 0.05 -0.34 -0.15 0.00 0.02 0.00 0.00 57.03 56.61 2k0f h ASP 76 Cb 0.83 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 2k0f h ASP 76 CO 0.07 1.10 -0.63 0.28 -1.72 0.00 0.00 179.24 178.34 2k0f h SER 77 N 0.80 0.20 -0.34 6.45 0.02 -0.78 -2.51 113.55 117.39 2k0f h SER 77 Ca 0.11 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 2k0f h SER 77 Cb 0.75 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2k0f h SER 77 CO 0.06 0.78 -0.33 -0.08 -1.14 0.00 0.00 176.83 176.13 2k0f h GLU 78 N 0.13 0.83 -0.86 3.45 4.81 -1.01 -3.16 114.58 118.77 2k0f h GLU 78 Ca -0.01 -0.43 0.13 0.00 -0.13 0.00 0.00 59.36 58.92 2k0f h GLU 78 Cb 1.14 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 2k0f h GLU 78 CO 0.09 1.07 0.46 1.49 -0.73 0.00 0.00 179.01 181.39 2k0f h GLU 79 N 0.61 0.67 -0.65 1.92 4.81 -1.21 -1.18 114.58 119.55 2k0f h GLU 79 Ca 0.06 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2k0f h GLU 79 Cb 0.91 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.09 2k0f h GLU 79 CO 0.08 0.44 0.36 1.49 -0.73 0.00 0.00 179.01 180.66 2k0f h GLU 80 N 0.69 0.66 0.03 1.92 4.81 -1.41 0.62 114.58 121.89 2k0f h GLU 80 Ca 0.45 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.55 2k0f h GLU 80 Cb 0.59 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.83 2k0f h GLU 80 CO -0.33 0.44 -0.40 0.82 -0.73 0.00 0.00 179.01 178.81 2k0f h ILE 81 N 0.68 1.55 0.07 2.32 1.08 -1.57 -2.95 117.51 118.69 2k0f h ILE 81 Ca 0.29 -2.13 0.02 0.00 -0.39 0.00 0.00 64.86 62.65 2k0f h ILE 81 Cb 0.16 2.89 -0.04 0.00 -3.07 0.00 0.00 36.82 36.77 2k0f h ILE 81 CO -0.17 0.59 -0.26 0.03 -0.69 0.00 0.00 178.15 177.65 2k0f h ARG 82 N -0.45 -0.42 0.00 2.37 2.47 -1.06 -1.06 114.38 116.23 2k0f h ARG 82 Ca -0.06 0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.62 2k0f h ARG 82 Cb 1.19 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.59 2k0f h ARG 82 CO 0.08 -0.28 -0.33 0.93 0.56 0.00 0.00 179.97 180.93 2k0f h GLU 83 N -0.43 0.00 -0.40 0.04 4.39 -1.02 -2.33 114.58 114.83 2k0f h GLU 83 Ca 0.04 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 2k0f h GLU 83 Cb 0.48 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2k0f h GLU 83 CO -0.18 0.33 -0.17 0.00 -1.16 0.00 0.00 179.01 177.83 2k0f h ALA 84 N 1.67 0.55 -0.45 3.43 0.00 -1.17 -2.94 119.26 120.35 2k0f h ALA 84 Ca -0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2k0f h ALA 84 Cb 0.75 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2k0f h ALA 84 CO 0.04 0.49 0.13 0.35 0.00 0.00 0.00 179.25 180.26 2k0f h PHE 85 N 0.62 0.67 -0.32 0.00 3.57 -0.95 -2.31 116.94 118.22 2k0f h PHE 85 Ca 0.09 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 2k0f h PHE 85 Cb 0.72 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 2k0f h PHE 85 CO 0.06 0.56 -0.09 -0.09 -2.23 0.00 0.00 178.31 176.51 2k0f h ARG 86 N 0.65 0.54 0.58 1.11 2.43 -1.30 -0.27 114.38 118.11 2k0f h ARG 86 Ca 0.15 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2k0f h ARG 86 Cb 0.21 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2k0f h ARG 86 CO -0.01 0.64 -0.28 0.28 -1.51 0.00 0.00 179.97 179.09 2k0f h VAL 87 N 0.50 0.33 -0.76 0.20 2.07 -1.28 -3.38 116.25 113.93 2k0f h VAL 87 Ca 0.10 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.36 2k0f h VAL 87 Cb 0.47 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2k0f h VAL 87 CO 0.03 0.04 0.46 -0.26 0.02 0.00 0.00 177.57 177.85 2k0f h PHE 88 N -0.99 0.86 -3.32 1.57 0.04 -0.95 -3.37 116.94 110.77 2k0f h PHE 88 Ca -0.08 0.03 -0.57 0.00 2.80 0.00 0.00 57.97 60.15 2k0f h PHE 88 Cb 0.65 -0.28 -0.06 0.00 2.20 0.00 0.00 35.95 38.47 2k0f h PHE 88 CO -0.00 0.46 0.88 0.34 -0.60 0.00 0.00 178.31 179.39 2k0f s ASP 89 N -5.73 6.84 -0.12 2.17 2.15 -0.16 -4.68 116.67 117.15 2k0f s ASP 89 Ca -0.13 1.03 -0.08 0.00 0.43 0.00 0.00 52.55 53.80 2k0f s ASP 89 Cb 0.17 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 40.18 2k0f s ASP 89 CO 0.78 -0.97 0.12 0.50 -0.17 0.00 0.00 175.17 175.43 2k0f h LYS 90 N 8.49 0.00 -0.70 4.34 1.63 -1.84 -3.38 116.57 125.11 2k0f h LYS 90 Ca -0.22 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.56 2k0f h LYS 90 Cb 1.07 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.67 2k0f h LYS 90 CO 1.04 0.24 0.36 0.38 -3.45 0.00 0.00 179.45 178.02 2k0f h ASP 91 N -1.00 0.90 -0.25 4.20 3.04 -1.93 -3.47 116.42 117.91 2k0f h ASP 91 Ca -0.02 -0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.66 2k0f h ASP 91 Cb 0.34 -0.23 0.00 0.00 -1.04 0.00 0.00 39.33 38.40 2k0f h ASP 91 CO -0.01 0.76 0.00 0.61 -2.04 0.00 0.00 179.24 178.56 2k0f n GLY 92 N -1.02 0.99 0.16 7.15 0.00 -1.26 -4.99 105.19 106.22 2k0f n GLY 92 Ca 0.06 -0.49 0.03 0.00 0.00 0.00 0.00 46.02 45.62 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 7.08 -1.93 -3.48 115.58 118.87 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 93 Cb 0.61 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.85 2k0f h ASN 93 CO 0.00 0.48 0.00 0.61 -2.08 0.00 0.00 177.43 176.44 2k0f n GLY 94 N 0.66 1.32 3.14 9.14 0.00 -1.26 -5.13 105.19 113.06 2k0f n GLY 94 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -1.40 1.36 -0.43 1.61 2.02 -1.26 -4.46 117.35 114.78 2k0f s TYR 95 Ca 0.00 -0.29 -0.18 0.00 -0.37 0.00 0.00 57.07 56.23 2k0f s TYR 95 Cb 0.00 -0.85 0.02 0.00 -0.40 0.00 0.00 41.96 40.73 2k0f s TYR 95 CO 0.00 0.00 0.50 0.42 -1.57 0.00 0.00 175.55 174.90 2k0f s ILE 96 N -0.50 5.01 0.59 2.71 1.01 -0.10 -4.81 121.20 125.11 2k0f s ILE 96 Ca 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.46 2k0f s ILE 96 Cb -0.06 -4.10 0.04 0.00 0.01 0.00 0.00 42.46 38.35 2k0f s ILE 96 CO 0.00 -0.49 0.84 -0.94 0.00 0.00 0.00 174.94 174.35 2k0f s SER 97 N 1.90 5.14 0.33 3.58 1.04 -1.26 -0.33 113.70 124.10 2k0f s SER 97 Ca 0.15 0.11 0.08 0.00 0.48 0.00 0.00 55.95 56.77 2k0f s SER 97 Cb -0.16 -0.93 0.59 0.00 0.10 0.00 0.00 66.02 65.62 2k0f s SER 97 CO 0.15 -1.27 1.79 0.00 0.98 0.00 0.00 173.24 174.89 2k0f h ALA 98 N -0.11 1.27 -0.01 5.32 0.00 -1.97 -1.36 119.26 122.40 2k0f h ALA 98 Ca -0.43 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.18 2k0f h ALA 98 Cb 1.30 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2k0f h ALA 98 CO 0.54 0.50 -0.50 0.00 0.00 0.00 0.00 179.25 179.78 2k0f h ALA 99 N 1.49 -0.86 -0.02 0.00 0.00 -1.97 0.36 119.26 118.25 2k0f h ALA 99 Ca 0.03 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2k0f h ALA 99 Cb 0.64 0.90 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2k0f h ALA 99 CO 0.05 -1.07 -0.69 0.93 0.00 0.00 0.00 179.25 178.47 2k0f h GLU 100 N -0.64 0.11 -0.01 0.00 5.08 -1.71 0.61 114.58 118.02 2k0f h GLU 100 Ca 0.03 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 2k0f h GLU 100 Cb 0.71 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2k0f h GLU 100 CO -0.35 0.75 -0.56 1.25 -1.00 0.00 0.00 179.01 179.10 2k0f h LEU 101 N 0.07 0.04 -0.67 1.33 5.85 -1.14 0.77 115.31 121.56 2k0f h LEU 101 Ca -0.01 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2k0f h LEU 101 Cb 1.22 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2k0f h LEU 101 CO 0.10 0.59 0.42 0.03 -0.34 0.00 0.00 178.44 179.24 2k0f h ARG 102 N 0.03 0.82 -0.06 1.25 3.08 0.13 -2.69 114.38 116.93 2k0f h ARG 102 Ca -0.00 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 2k0f h ARG 102 Cb 1.00 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.87 2k0f h ARG 102 CO 0.07 0.54 -0.53 0.45 -1.07 0.00 0.00 179.97 179.44 2k0f h HIS 103 N 0.84 0.64 -0.46 3.04 3.86 -1.08 0.66 115.15 122.66 2k0f h HIS 103 Ca 0.26 -0.31 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 2k0f h HIS 103 Cb -0.01 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 2k0f h HIS 103 CO -0.04 1.10 0.24 -0.24 0.86 0.00 0.00 177.93 179.85 2k0f h VAL 104 N 0.01 1.17 -0.57 2.45 3.04 -0.92 -1.27 116.25 120.17 2k0f h VAL 104 Ca -0.05 -0.46 -0.09 0.00 -1.01 0.00 0.00 66.70 65.09 2k0f h VAL 104 Cb 1.20 0.64 -0.02 0.00 -2.01 0.00 0.00 31.29 31.09 2k0f h VAL 104 CO 0.11 0.18 0.01 0.24 -1.01 0.00 0.00 177.57 177.10 2k0f h MET 105 N 0.60 0.97 0.50 4.17 2.07 -1.41 -0.19 114.93 121.65 2k0f h MET 105 Ca 0.16 -0.29 -0.01 0.00 -2.07 0.00 0.00 59.70 57.49 2k0f h MET 105 Cb 0.08 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 29.69 2k0f h MET 105 CO -0.02 0.95 -0.43 1.15 1.07 0.00 0.00 176.91 179.63 2k0f h THR 106 N 0.89 0.14 -0.38 2.22 2.02 -0.78 0.13 112.91 117.15 2k0f h THR 106 Ca 0.17 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.20 2k0f h THR 106 Cb 0.51 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2k0f h THR 106 CO 0.03 0.00 -0.34 0.78 0.37 0.00 0.00 175.52 176.36 2k0f h ASN 107 N -0.93 0.95 0.89 4.18 2.35 -1.22 -3.21 115.58 118.60 2k0f h ASN 107 Ca -0.05 -0.46 -0.04 0.00 -0.55 0.00 0.00 56.30 55.20 2k0f h ASN 107 Cb 0.80 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 2k0f h ASN 107 CO -0.02 1.21 -0.20 0.25 -1.65 0.00 0.00 177.43 177.01 2k0f h LEU 108 N 0.70 0.00 -0.49 1.61 7.12 -1.08 -3.46 115.31 119.71 2k0f h LEU 108 Ca 0.06 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.07 2k0f h LEU 108 Cb 0.93 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.06 2k0f h LEU 108 CO 0.09 0.20 0.00 0.61 -0.13 0.00 0.00 178.44 179.21 2k0f n GLY 109 N 0.08 0.93 3.73 3.75 0.00 0.37 -5.05 105.19 109.00 2k0f n GLY 109 Ca 0.00 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N -2.14 4.44 -1.03 1.61 -6.30 -0.74 -5.02 118.70 109.53 2k0f s GLU 110 Ca 0.00 0.93 -0.19 0.00 -2.50 0.00 0.00 54.97 53.21 2k0f s GLU 110 Cb 0.00 -3.42 0.11 0.00 0.00 0.00 0.00 34.13 30.82 2k0f s GLU 110 CO 0.00 0.15 1.32 0.21 0.02 0.00 0.00 175.26 176.96 2k0f s LYS 111 N 0.49 3.70 0.01 4.30 2.20 -1.26 -4.79 119.74 124.39 2k0f s LYS 111 Ca 0.38 -1.70 -0.22 0.00 -0.36 0.00 0.00 55.97 54.07 2k0f s LYS 111 Cb -0.19 -5.13 0.05 0.00 -1.51 0.00 0.00 37.83 31.05 2k0f s LYS 111 CO 0.20 -1.95 0.48 -0.48 -0.36 0.00 0.00 175.35 173.24 2k0f s LEU 112 N 3.36 0.13 0.00 5.43 0.05 -1.26 -5.18 118.68 121.20 2k0f s LEU 112 Ca 0.40 0.24 -0.03 0.00 0.05 0.00 0.00 54.13 54.78 2k0f s LEU 112 Cb -0.02 1.92 0.14 0.00 -2.05 0.00 0.00 46.19 46.18 2k0f s LEU 112 CO -0.07 -0.62 0.90 0.35 -0.55 0.00 0.00 176.35 176.37 2k0f n THR 113 N 0.75 0.00 -0.08 5.48 -2.24 -1.26 -5.00 114.28 111.93 2k0f n THR 113 Ca -0.19 -1.21 -0.11 0.00 -2.27 0.00 0.00 64.05 60.27 2k0f n THR 113 Cb 0.58 -1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 67.67 2k0f n THR 113 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2k0f h ASP 114 N -0.72 0.39 -0.80 3.42 3.58 -2.02 -3.03 116.42 117.23 2k0f h ASP 114 Ca -0.30 -0.22 0.07 0.00 0.42 0.00 0.00 57.03 57.00 2k0f h ASP 114 Cb 1.02 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.91 2k0f h ASP 114 CO 0.29 0.50 0.48 -0.33 -2.88 0.00 0.00 179.24 177.30 2k0f h GLU 115 N 0.25 0.84 -0.02 0.28 5.08 -2.00 -2.81 114.58 116.20 2k0f h GLU 115 Ca 0.08 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2k0f h GLU 115 Cb 0.26 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2k0f h GLU 115 CO -0.00 0.56 -0.35 0.93 -1.00 0.00 0.00 179.01 179.15 2k0f h GLU 116 N 0.86 0.03 -0.26 2.33 5.08 -1.92 -2.62 114.58 118.09 2k0f h GLU 116 Ca 0.36 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.53 2k0f h GLU 116 Cb 0.21 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2k0f h GLU 116 CO -0.19 0.38 -0.56 0.28 -1.00 0.00 0.00 179.01 177.92 2k0f h VAL 117 N 0.03 1.29 -0.08 3.13 2.07 -1.47 -2.45 116.25 118.76 2k0f h VAL 117 Ca 0.00 -1.76 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 2k0f h VAL 117 Cb 0.63 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 2k0f h VAL 117 CO 0.05 0.57 -0.13 0.44 0.02 0.00 0.00 177.57 178.51 2k0f h ASP 118 N 0.61 0.12 1.12 0.57 3.32 -1.57 -2.39 116.42 118.20 2k0f h ASP 118 Ca 0.01 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 2k0f h ASP 118 Cb 1.15 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 2k0f h ASP 118 CO 0.12 0.26 -0.62 -0.08 -1.72 0.00 0.00 179.24 177.21 2k0f h GLU 119 N 0.12 0.00 -0.17 3.56 4.81 -1.36 -1.82 114.58 119.72 2k0f h GLU 119 Ca 0.03 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 119 Cb 0.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2k0f h GLU 119 CO 0.02 0.62 -0.22 0.52 -0.73 0.00 0.00 179.01 179.22 2k0f h MET 120 N 0.00 0.30 -0.54 1.92 2.86 -1.14 -2.25 114.93 116.07 2k0f h MET 120 Ca -0.01 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 2k0f h MET 120 Cb 1.34 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.95 2k0f h MET 120 CO 0.08 0.51 0.04 0.82 1.06 0.00 0.00 176.91 179.42 2k0f h ILE 121 N 0.27 1.25 -0.31 -1.22 1.08 -1.12 -2.59 117.51 114.87 2k0f h ILE 121 Ca 0.05 -1.00 0.01 0.00 -0.39 0.00 0.00 64.86 63.52 2k0f h ILE 121 Cb 0.55 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 2k0f h ILE 121 CO 0.04 0.36 0.18 -0.09 -0.69 0.00 0.00 178.15 177.95 2k0f h ARG 122 N 0.84 0.36 0.00 2.37 2.43 -1.30 -0.28 114.38 118.80 2k0f h ARG 122 Ca 0.17 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2k0f h ARG 122 Cb 0.44 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2k0f h ARG 122 CO 0.02 0.24 -0.00 1.49 -1.51 0.00 0.00 179.97 180.20 2k0f h GLU 123 N 0.37 -0.01 -0.33 0.20 4.81 -1.45 -3.31 114.58 114.87 2k0f h GLU 123 Ca 0.12 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2k0f h GLU 123 Cb -0.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2k0f h GLU 123 CO -0.05 0.30 0.14 0.00 -0.73 0.00 0.00 179.01 178.67 2k0f h ALA 124 N 0.68 0.43 -2.22 2.92 0.00 -1.19 -3.44 119.26 116.43 2k0f h ALA 124 Ca -0.00 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.24 2k0f h ALA 124 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2k0f h ALA 124 CO 0.00 0.01 1.02 0.34 0.00 0.00 0.00 179.25 180.62 2k0f s ASP 125 N -5.74 6.77 -0.13 0.00 2.15 -0.14 -4.83 116.67 114.75 2k0f s ASP 125 Ca -0.13 2.03 -0.13 0.00 0.43 0.00 0.00 52.55 54.76 2k0f s ASP 125 Cb 0.09 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.13 2k0f s ASP 125 CO 0.73 -0.86 -0.24 -0.38 -0.17 0.00 0.00 175.17 174.25 2k0f n ILE 126 N 5.43 1.14 0.00 4.11 5.41 -1.26 -4.85 119.36 129.34 2k0f n ILE 126 Ca 0.16 0.23 0.00 0.00 1.00 0.00 0.00 62.75 64.14 2k0f n ILE 126 Cb 0.44 -2.16 0.00 0.00 -0.71 0.00 0.00 39.64 37.20 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 -4.02 0.00 0.00 4.38 5.68 -1.26 -4.98 116.55 116.35 2k0f n ASP 127 Ca -0.10 0.63 0.00 0.00 -0.50 0.00 0.00 54.79 54.83 2k0f n ASP 127 Cb 0.36 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 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 -0.64 -0.26 0.13 6.12 0.00 -1.26 -5.02 105.19 104.26 2k0f n GLY 128 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.06 0.00 1.61 2.03 -1.98 -3.47 116.42 114.66 2k0f h ASP 129 Ca 0.00 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 2k0f h ASP 129 Cb 0.00 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 2k0f h ASP 129 CO 0.00 0.72 0.00 0.61 -1.03 0.00 0.00 179.24 179.54 2k0f n GLY 130 N 0.42 0.60 3.30 7.15 0.00 -1.26 -5.07 105.19 110.34 2k0f n GLY 130 Ca -0.01 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.84 1.20 -0.39 1.61 -0.21 -1.26 -4.47 119.66 114.31 2k0f s GLN 131 Ca 0.00 -1.54 -0.10 0.00 0.02 0.00 0.00 55.36 53.74 2k0f s GLN 131 Cb 0.00 -0.82 0.05 0.00 1.00 0.00 0.00 33.01 33.24 2k0f s GLN 131 CO 0.00 0.09 0.22 0.08 -2.12 0.00 0.00 175.29 173.56 2k0f s VAL 132 N -3.20 4.43 0.90 1.09 1.01 0.56 -4.80 120.40 120.38 2k0f s VAL 132 Ca 0.20 -1.06 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 2k0f s VAL 132 Cb 0.02 -3.55 0.23 0.00 0.00 0.00 0.00 36.38 33.08 2k0f s VAL 132 CO 0.04 -0.33 0.61 -0.46 0.00 0.00 0.00 175.10 174.96 2k0f n ASN 133 N 4.97 -2.86 -0.09 3.32 0.23 -1.26 -0.93 115.26 118.64 2k0f n ASN 133 Ca -0.11 -0.69 -0.10 0.00 -0.53 0.00 0.00 54.58 53.15 2k0f n ASN 133 Cb 0.45 -0.64 -0.03 0.00 -2.08 0.00 0.00 39.78 37.47 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 -2.82 0.42 -0.02 -2.53 3.20 -1.98 -2.72 116.97 110.54 2k0f h TYR 134 Ca -0.26 -0.04 -0.24 0.00 3.14 0.00 0.00 58.73 61.33 2k0f h TYR 134 Cb 0.84 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 39.00 2k0f h TYR 134 CO 0.00 0.45 -0.96 0.93 -1.64 0.00 0.00 178.16 176.94 2k0f h GLU 135 N 0.28 0.57 -0.51 1.82 5.08 -1.97 -0.26 114.58 119.59 2k0f h GLU 135 Ca 0.09 -0.59 0.02 0.00 -1.00 0.00 0.00 59.36 57.87 2k0f h GLU 135 Cb 0.22 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2k0f h GLU 135 CO -0.00 1.21 0.34 0.93 -1.00 0.00 0.00 179.01 180.48 2k0f h GLU 136 N 0.33 0.60 0.05 2.33 5.08 -1.87 0.22 114.58 121.33 2k0f h GLU 136 Ca -0.10 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2k0f h GLU 136 Cb 1.60 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.72 2k0f h GLU 136 CO 0.18 0.40 -0.02 0.35 -1.00 0.00 0.00 179.01 178.92 2k0f h PHE 137 N 0.62 -0.06 -0.63 4.33 3.57 -1.32 -3.12 116.94 120.33 2k0f h PHE 137 Ca 0.20 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 2k0f h PHE 137 Cb 0.03 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2k0f h PHE 137 CO -0.00 0.57 0.07 -0.24 -2.23 0.00 0.00 178.31 176.47 2k0f h VAL 138 N -0.81 1.26 0.00 1.41 3.04 -0.92 0.25 116.25 120.48 2k0f h VAL 138 Ca -0.01 -1.07 -0.06 0.00 -1.01 0.00 0.00 66.70 64.56 2k0f h VAL 138 Cb 0.65 0.73 -0.01 0.00 -2.01 0.00 0.00 31.29 30.65 2k0f h VAL 138 CO 0.01 0.39 -0.29 1.56 -1.01 0.00 0.00 177.57 178.24 2k0f h GLN 139 N 0.97 0.00 -0.31 4.17 4.20 -0.73 -0.58 115.11 122.83 2k0f h GLN 139 Ca 0.19 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.76 2k0f h GLN 139 Cb 0.48 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2k0f h GLN 139 CO 0.02 0.29 -0.37 1.98 -0.67 0.00 0.00 178.83 180.08 2k0f h MET 140 N 0.00 0.70 0.88 1.46 4.05 -1.40 -3.33 114.93 117.28 2k0f h MET 140 Ca -0.00 -0.34 -0.04 0.00 -0.28 0.00 0.00 59.70 59.03 2k0f h MET 140 Cb 0.53 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2k0f h MET 140 CO 0.04 0.95 -0.48 0.52 0.23 0.00 0.00 176.91 178.17 2k0f h MET 141 N 0.58 -1.20 0.00 0.39 2.86 -0.21 -3.51 114.93 113.84 2k0f h MET 141 Ca 0.06 0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2k0f h MET 141 Cb 0.89 0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2k0f h MET 141 CO 0.08 -0.80 0.00 0.25 1.06 0.00 0.00 176.91 177.50