#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 0.00 -0.78 4.11 -2.05 -2.72 114.58 113.14 2k0f h GLU 2 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2k0f h GLU 2 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k0f h GLU 2 CO 0.00 0.07 -0.05 1.05 0.07 0.00 0.00 179.01 180.14 2k0f h GLU 3 N 0.00 0.00 0.18 1.06 9.09 -2.05 -0.04 114.58 122.82 2k0f h GLU 3 Ca -0.00 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.09 2k0f h GLU 3 Cb 0.13 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.24 2k0f h GLU 3 CO 0.01 0.05 -1.57 0.37 0.05 0.00 0.00 179.01 177.92 2k0f h GLN 4 N 0.00 0.38 -0.95 1.06 4.15 -1.91 0.99 115.11 118.83 2k0f h GLN 4 Ca -0.00 -0.65 0.08 0.00 0.77 0.00 0.00 58.65 58.85 2k0f h GLN 4 Cb 0.61 0.24 -0.07 0.00 0.21 0.00 0.00 27.48 28.47 2k0f h GLN 4 CO 0.01 1.31 0.60 0.82 -1.93 0.00 0.00 178.83 179.64 2k0f h ILE 5 N -0.01 1.02 -0.30 2.39 1.08 -1.50 0.15 117.51 120.34 2k0f h ILE 5 Ca -0.31 -0.36 -0.09 0.00 -0.39 0.00 0.00 64.86 63.71 2k0f h ILE 5 Cb 2.01 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 2k0f h ILE 5 CO 0.17 0.19 -0.18 0.00 -0.69 0.00 0.00 178.15 177.64 2k0f h ALA 6 N 1.46 0.43 -0.23 1.87 0.00 -0.88 0.11 119.26 122.02 2k0f h ALA 6 Ca 0.43 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2k0f h ALA 6 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2k0f h ALA 6 CO -0.20 0.35 -0.26 1.05 0.00 0.00 0.00 179.25 180.18 2k0f h GLU 7 N 0.40 0.44 -0.04 0.00 4.11 -0.40 -1.71 114.58 117.37 2k0f h GLU 7 Ca 0.06 -0.17 -0.06 0.00 0.07 0.00 0.00 59.36 59.27 2k0f h GLU 7 Cb 0.71 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2k0f h GLU 7 CO 0.05 0.67 -0.24 0.74 0.07 0.00 0.00 179.01 180.30 2k0f h PHE 8 N 0.39 0.08 0.00 2.06 0.04 -0.55 -2.73 116.94 116.23 2k0f h PHE 8 Ca 0.06 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 2k0f h PHE 8 Cb 0.67 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.80 2k0f h PHE 8 CO 0.02 0.31 -0.15 -0.22 -0.60 0.00 0.00 178.31 177.67 2k0f h LYS 9 N 0.07 0.00 -0.07 1.51 3.64 -0.24 -2.26 116.57 119.21 2k0f h LYS 9 Ca 0.01 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.20 2k0f h LYS 9 Cb 0.47 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2k0f h LYS 9 CO 0.03 0.15 -0.70 0.93 -2.27 0.00 0.00 179.45 177.60 2k0f h GLU 10 N 0.00 0.60 -0.41 1.90 4.39 -1.16 -2.13 114.58 117.76 2k0f h GLU 10 Ca -0.00 -0.55 -0.02 0.00 0.34 0.00 0.00 59.36 59.13 2k0f h GLU 10 Cb 0.71 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 2k0f h GLU 10 CO 0.02 1.17 0.18 0.00 -1.16 0.00 0.00 179.01 179.22 2k0f h ALA 11 N 0.44 1.55 0.40 3.43 0.00 -1.40 -1.05 119.26 122.63 2k0f h ALA 11 Ca -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2k0f h ALA 11 Cb 1.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k0f h ALA 11 CO 0.14 0.36 -0.19 0.35 0.00 0.00 0.00 179.25 179.91 2k0f h PHE 12 N 0.57 -0.50 -0.09 0.00 3.04 -1.30 -3.03 116.94 115.64 2k0f h PHE 12 Ca 0.14 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.11 2k0f h PHE 12 Cb 0.09 0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.76 2k0f h PHE 12 CO 0.00 -0.17 0.16 0.77 -2.02 0.00 0.00 178.31 177.05 2k0f h SER 13 N -0.88 0.00 0.94 0.41 0.02 -1.30 0.14 113.55 112.89 2k0f h SER 13 Ca -0.05 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 2k0f h SER 13 Cb 0.55 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2k0f h SER 13 CO 0.09 0.00 -0.35 0.25 -1.14 0.00 0.00 176.83 175.68 2k0f h LEU 14 N 0.00 0.00 0.00 5.07 5.85 -1.07 -3.23 115.31 121.93 2k0f h LEU 14 Ca 0.04 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.61 2k0f h LEU 14 Cb 0.36 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2k0f h LEU 14 CO -0.00 0.35 -0.91 -0.26 -0.34 0.00 0.00 178.44 177.28 2k0f h PHE 15 N 0.00 0.00 -1.76 1.25 0.04 -1.23 -3.42 116.94 111.81 2k0f h PHE 15 Ca -0.00 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.29 2k0f h PHE 15 Cb 0.92 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.06 2k0f h PHE 15 CO 0.00 1.04 1.54 0.34 -0.60 0.00 0.00 178.31 180.63 2k0f s ASP 16 N -6.48 4.75 0.03 2.17 -1.08 0.38 -4.82 116.67 111.63 2k0f s ASP 16 Ca -0.23 0.91 0.26 0.00 -0.52 0.00 0.00 52.55 52.96 2k0f s ASP 16 Cb 0.04 -2.51 0.72 0.00 -1.46 0.00 0.00 42.92 39.70 2k0f s ASP 16 CO 0.49 -2.67 1.57 0.29 0.52 0.00 0.00 175.17 175.37 2k0f n LYS 17 N 9.04 0.07 -0.08 4.34 4.76 -1.26 -3.86 118.16 131.16 2k0f n LYS 17 Ca 0.31 0.03 -0.12 0.00 -2.87 0.00 0.00 58.31 55.66 2k0f n LYS 17 Cb 0.53 -1.55 -0.08 0.00 -1.84 0.00 0.00 35.03 32.09 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2k0f h ASP 18 N 0.00 0.00 -0.84 4.39 3.32 -1.93 -3.49 116.42 117.87 2k0f h ASP 18 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2k0f h ASP 18 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2k0f h ASP 18 CO 0.00 1.00 0.00 0.61 -1.72 0.00 0.00 179.24 179.13 2k0f n GLY 19 N 1.60 0.66 0.06 2.75 0.00 -1.25 -5.02 105.19 103.98 2k0f n GLY 19 Ca -0.14 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.04 3.00 0.00 1.61 5.75 -1.26 -5.06 116.55 120.55 2k0f n ASP 20 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 2k0f n ASP 20 Cb 0.26 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 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 2.85 1.00 3.78 6.12 0.00 -1.26 -5.12 105.19 112.56 2k0f n GLY 21 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 4.80 -0.22 2.61 -4.23 -1.26 -3.86 115.64 111.48 2k0f s THR 22 Ca 0.00 -0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 60.28 2k0f s THR 22 Cb 0.00 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.72 2k0f s THR 22 CO 0.00 0.50 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.91 2k0f s ILE 23 N -1.05 3.33 0.89 2.99 1.01 -0.63 -4.79 121.20 122.95 2k0f s ILE 23 Ca 0.18 -0.51 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 2k0f s ILE 23 Cb -0.12 -2.51 0.15 0.00 0.01 0.00 0.00 42.46 39.99 2k0f s ILE 23 CO 0.08 0.43 1.25 0.42 0.00 0.00 0.00 174.94 177.12 2k0f s THR 24 N 1.45 2.02 0.39 2.92 -4.23 -1.26 -2.78 115.64 114.14 2k0f s THR 24 Ca 0.06 -0.03 0.07 0.00 -1.18 0.00 0.00 61.69 60.60 2k0f s THR 24 Cb -0.14 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 71.00 2k0f s THR 24 CO -0.03 0.00 2.01 0.71 -0.54 0.00 0.00 174.62 176.76 2k0f h THR 25 N -1.37 1.05 -0.18 3.99 1.35 -1.95 -2.63 112.91 113.17 2k0f h THR 25 Ca -0.45 -0.22 -0.15 0.00 -0.55 0.00 0.00 66.41 65.05 2k0f h THR 25 Cb 1.27 0.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 2k0f h THR 25 CO 0.48 0.12 -0.52 0.11 -0.25 0.00 0.00 175.52 175.45 2k0f h LYS 26 N 0.63 0.50 0.00 4.72 1.79 -1.97 0.68 116.57 122.92 2k0f h LYS 26 Ca 0.23 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2k0f h LYS 26 Cb 0.13 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2k0f h LYS 26 CO -0.06 0.90 0.00 0.93 -1.08 0.00 0.00 179.45 180.14 2k0f h GLU 27 N 0.39 0.00 0.00 3.15 5.08 -1.87 -0.80 114.58 120.53 2k0f h GLU 27 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 27 Cb 1.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2k0f h GLU 27 CO 0.10 0.00 -0.21 -0.07 -1.00 0.00 0.00 179.01 177.83 2k0f h LEU 28 N 0.00 0.00 -0.54 1.33 3.38 -1.31 -3.37 115.31 114.79 2k0f h LEU 28 Ca 0.00 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 57.98 2k0f h LEU 28 Cb 0.79 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.43 2k0f h LEU 28 CO 0.00 0.65 -0.27 1.23 0.09 0.00 0.00 178.44 180.14 2k0f h GLY 29 N -1.00 0.04 0.70 0.83 0.00 0.50 -1.35 103.07 102.79 2k0f h GLY 29 Ca -0.01 0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.72 2k0f h GLY 29 CO -0.01 -0.22 0.37 -0.84 0.00 0.00 0.00 176.54 175.84 2k0f h THR 30 N -0.14 0.98 0.17 4.70 2.02 -1.38 -0.85 112.91 118.40 2k0f h THR 30 Ca 0.24 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2k0f h THR 30 Cb 0.52 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2k0f h THR 30 CO -0.63 0.13 -0.22 0.58 0.37 0.00 0.00 175.52 175.75 2k0f h VAL 31 N 0.69 0.52 -0.30 3.16 2.07 -1.56 -1.59 116.25 119.24 2k0f h VAL 31 Ca 0.29 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 2k0f h VAL 31 Cb 0.16 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2k0f h VAL 31 CO -0.17 0.00 0.06 -0.03 0.02 0.00 0.00 177.57 177.45 2k0f h MET 32 N -0.44 0.44 0.00 1.57 -1.53 -1.16 -1.84 114.93 111.97 2k0f h MET 32 Ca 0.01 -0.07 0.00 0.00 -3.44 0.00 0.00 59.70 56.21 2k0f h MET 32 Cb 0.43 -0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.40 2k0f h MET 32 CO -0.08 0.42 -0.34 -0.09 0.14 0.00 0.00 176.91 176.96 2k0f h ARG 33 N 0.43 0.00 0.00 0.39 2.43 -0.86 -2.17 114.38 114.60 2k0f h ARG 33 Ca 0.10 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 2k0f h ARG 33 Cb 0.19 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2k0f h ARG 33 CO -0.00 0.00 -0.58 0.77 -1.51 0.00 0.00 179.97 178.65 2k0f h SER 34 N 0.00 0.00 -0.25 -3.80 0.02 -0.47 -3.35 113.55 105.71 2k0f h SER 34 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 2k0f h SER 34 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2k0f h SER 34 CO 0.00 0.47 -0.49 -0.07 -1.14 0.00 0.00 176.83 175.60 2k0f h LEU 35 N 0.00 0.86 0.00 5.07 3.38 -1.21 -3.49 115.31 119.92 2k0f h LEU 35 Ca -0.02 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2k0f h LEU 35 Cb 1.38 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2k0f h LEU 35 CO 0.06 1.24 0.00 0.61 0.09 0.00 0.00 178.44 180.44 2k0f n GLY 36 N 0.39 0.19 3.74 0.83 0.00 -0.84 -5.12 105.19 104.39 2k0f n GLY 36 Ca -0.05 0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 4.21 -0.54 1.61 -1.52 -1.13 -4.93 119.66 117.37 2k0f s GLN 37 Ca 0.00 0.20 -0.28 0.00 -1.95 0.00 0.00 55.36 53.32 2k0f s GLN 37 Cb 0.00 -3.40 0.03 0.00 -0.22 0.00 0.00 33.01 29.42 2k0f s GLN 37 CO 0.00 0.28 1.15 -0.80 -0.25 0.00 0.00 175.29 175.67 2k0f s ASN 38 N 0.31 6.51 0.71 5.90 0.01 -1.26 -3.80 114.94 123.31 2k0f s ASN 38 Ca 0.19 0.22 -0.11 0.00 -0.71 0.00 0.00 52.86 52.45 2k0f s ASN 38 Cb -0.14 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.00 2k0f s ASN 38 CO 0.06 -1.37 1.07 -2.16 -1.51 0.00 0.00 177.10 173.19 2k0f s PRO 39 N 4.68 2.82 -0.11 -0.60 0.04 -1.26 -5.07 135.00 135.50 2k0f s PRO 39 Ca 0.44 0.93 -0.10 0.00 0.04 0.00 0.00 61.00 62.32 2k0f s PRO 39 Cb -0.08 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2k0f s PRO 39 CO 0.28 -1.18 0.22 -0.08 0.04 0.00 0.00 177.00 176.28 2k0f s THR 40 N -3.05 5.37 0.39 1.26 -1.32 -1.26 -4.98 115.64 112.05 2k0f s THR 40 Ca 0.58 0.39 0.25 0.00 -1.21 0.00 0.00 61.69 61.70 2k0f s THR 40 Cb -0.14 -3.50 0.27 0.00 -1.51 0.00 0.00 72.50 67.61 2k0f s THR 40 CO 0.55 0.56 2.03 -0.33 -2.21 0.00 0.00 174.62 175.23 2k0f h GLU 41 N 5.31 0.00 0.36 7.08 5.08 -1.98 -1.68 114.58 128.76 2k0f h GLU 41 Ca -0.51 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 2k0f h GLU 41 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2k0f h GLU 41 CO 0.63 0.14 -0.17 0.00 -1.00 0.00 0.00 179.01 178.61 2k0f h ALA 42 N 1.86 -0.48 -0.61 3.43 0.00 -2.00 -1.95 119.26 119.50 2k0f h ALA 42 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2k0f h ALA 42 Cb 0.38 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2k0f h ALA 42 CO 0.02 -0.69 0.25 0.93 0.00 0.00 0.00 179.25 179.75 2k0f h GLU 43 N -0.64 0.90 -0.56 0.00 5.08 -1.98 -2.89 114.58 114.49 2k0f h GLU 43 Ca -0.05 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2k0f h GLU 43 Cb 0.46 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2k0f h GLU 43 CO 0.08 0.76 0.37 1.25 -1.00 0.00 0.00 179.01 180.48 2k0f h LEU 44 N 0.84 0.45 -0.04 1.33 5.85 -1.22 -1.24 115.31 121.28 2k0f h LEU 44 Ca 0.20 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.68 2k0f h LEU 44 Cb 0.19 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2k0f h LEU 44 CO -0.02 0.30 -1.08 -0.61 -0.34 0.00 0.00 178.44 176.69 2k0f h GLN 45 N 0.52 0.36 -0.12 1.25 5.75 -1.15 -2.97 115.11 118.74 2k0f h GLN 45 Ca 0.24 -0.47 -0.15 0.00 -0.15 0.00 0.00 58.65 58.12 2k0f h GLN 45 Cb 0.30 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 2k0f h GLN 45 CO -0.07 1.16 -0.58 -0.44 -2.65 0.00 0.00 178.83 176.25 2k0f h ASP 46 N 0.17 0.45 -0.83 -0.69 3.32 -1.12 0.34 116.42 118.05 2k0f h ASP 46 Ca -0.11 -0.25 0.15 0.00 0.02 0.00 0.00 57.03 56.84 2k0f h ASP 46 Cb 1.75 -0.13 -0.10 0.00 0.22 0.00 0.00 39.33 41.07 2k0f h ASP 46 CO 0.18 0.93 0.40 0.24 -1.72 0.00 0.00 179.24 179.27 2k0f h MET 47 N 0.30 0.54 0.04 3.56 2.86 -1.29 -0.70 114.93 120.25 2k0f h MET 47 Ca -0.00 -0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.45 2k0f h MET 47 Cb 1.10 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 32.66 2k0f h MET 47 CO 0.10 0.36 -0.64 0.82 1.06 0.00 0.00 176.91 178.61 2k0f h ILE 48 N 0.56 1.46 -0.70 -1.22 1.08 -1.22 -3.32 117.51 114.14 2k0f h ILE 48 Ca 0.46 -2.20 0.03 0.00 -0.39 0.00 0.00 64.86 62.76 2k0f h ILE 48 Cb 0.68 2.77 -0.04 0.00 -3.07 0.00 0.00 36.82 37.16 2k0f h ILE 48 CO -0.38 0.63 0.46 0.78 -0.69 0.00 0.00 178.15 178.95 2k0f h ASN 49 N -0.20 0.73 -0.20 1.72 4.21 -0.20 0.25 115.58 121.89 2k0f h ASN 49 Ca -0.09 -0.01 0.06 0.00 1.21 0.00 0.00 56.30 57.47 2k0f h ASN 49 Cb 1.39 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 38.41 2k0f h ASN 49 CO 0.12 0.50 0.20 -0.08 -1.29 0.00 0.00 177.43 176.88 2k0f h GLU 50 N 0.84 0.00 0.00 0.81 4.81 -1.23 -3.15 114.58 116.67 2k0f h GLU 50 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2k0f h GLU 50 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2k0f h GLU 50 CO -0.08 0.00 -0.67 1.33 -0.73 0.00 0.00 179.01 178.86 2k0f n VAL 51 N -3.91 0.00 -1.87 0.32 0.24 0.60 -4.92 118.33 108.79 2k0f n VAL 51 Ca 0.02 -0.25 -0.37 0.00 -2.04 0.00 0.00 64.34 61.70 2k0f n VAL 51 Cb 0.33 0.87 -0.03 0.00 -1.47 0.00 0.00 33.84 33.54 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 -2.21 4.96 0.10 -1.34 2.15 0.36 -4.83 116.67 115.86 2k0f s ASP 52 Ca 0.03 0.52 -0.13 0.00 0.43 0.00 0.00 52.55 53.40 2k0f s ASP 52 Cb 0.08 -2.52 -0.16 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 52 CO 0.43 -2.60 1.30 0.00 -0.17 0.00 0.00 175.17 174.14 2k0f h ALA 53 N 16.26 0.30 -2.58 3.66 0.00 -1.90 -3.41 119.26 131.59 2k0f h ALA 53 Ca -0.23 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2k0f h ALA 53 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k0f h ALA 53 CO 1.19 0.67 0.00 -0.40 0.00 0.00 0.00 179.25 180.72 2k0f n ASP 54 N -3.94 0.00 0.00 0.00 5.68 -1.26 -5.04 116.55 111.98 2k0f n ASP 54 Ca -0.08 0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 2k0f n ASP 54 Cb 0.75 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N 2.33 -0.25 0.18 6.12 0.00 -1.26 -5.04 105.19 107.28 2k0f n GLY 55 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.96 -3.46 115.58 118.84 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 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.96 2k0f n GLY 57 N 0.67 0.41 3.07 9.14 0.00 -1.26 -5.06 105.19 112.16 2k0f n GLY 57 Ca 0.03 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 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 0.62 -0.10 2.61 -4.23 -1.26 -4.82 115.64 106.46 2k0f s THR 58 Ca 0.00 -1.05 -0.30 0.00 -1.18 0.00 0.00 61.69 59.17 2k0f s THR 58 Cb 0.00 -0.66 -0.02 0.00 1.34 0.00 0.00 72.50 73.16 2k0f s THR 58 CO 0.00 -0.31 1.09 -0.51 -0.54 0.00 0.00 174.62 174.35 2k0f s ILE 59 N -1.26 4.55 0.56 2.99 2.07 -1.12 -4.79 121.20 124.20 2k0f s ILE 59 Ca -0.08 1.85 0.06 0.00 -1.41 0.00 0.00 60.65 61.07 2k0f s ILE 59 Cb -0.09 -4.19 0.07 0.00 0.13 0.00 0.00 42.46 38.38 2k0f s ILE 59 CO 0.01 -0.02 0.78 -1.81 -1.91 0.00 0.00 174.94 171.99 2k0f s ASP 60 N 1.29 5.10 0.12 4.50 1.11 -1.26 -1.61 116.67 125.93 2k0f s ASP 60 Ca 0.51 -0.54 -0.24 0.00 0.18 0.00 0.00 52.55 52.46 2k0f s ASP 60 Cb -0.21 -0.15 -0.04 0.00 1.07 0.00 0.00 42.92 43.59 2k0f s ASP 60 CO 0.18 -1.28 1.66 0.15 1.18 0.00 0.00 175.17 177.06 2k0f h PHE 61 N 0.13 -0.50 0.00 4.23 3.57 -1.97 -1.71 116.94 120.69 2k0f h PHE 61 Ca -0.35 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.09 2k0f h PHE 61 Cb 1.28 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.24 2k0f h PHE 61 CO 0.29 -0.27 -0.38 -1.00 -2.23 0.00 0.00 178.31 174.72 2k0f h PRO 62 N -0.29 0.00 -0.20 6.41 0.13 -1.97 -1.46 132.00 134.63 2k0f h PRO 62 Ca 0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 2k0f h PRO 62 Cb 0.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 2k0f h PRO 62 CO -0.21 0.38 0.09 0.93 -0.23 0.00 0.00 178.00 178.96 2k0f h GLU 63 N 0.00 0.29 -0.83 0.86 5.08 -1.86 0.04 114.58 118.16 2k0f h GLU 63 Ca -0.00 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.40 2k0f h GLU 63 Cb 0.68 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.81 2k0f h GLU 63 CO 0.05 0.32 0.49 0.35 -1.00 0.00 0.00 179.01 179.22 2k0f h PHE 64 N 0.19 0.89 -0.26 4.33 3.57 -1.06 -1.06 116.94 123.54 2k0f h PHE 64 Ca 0.07 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 2k0f h PHE 64 Cb 0.13 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2k0f h PHE 64 CO -0.02 0.39 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.06 2k0f h LEU 65 N 0.84 0.56 0.05 0.59 3.38 -1.12 -1.01 115.31 118.60 2k0f h LEU 65 Ca 0.39 -0.22 -0.24 0.00 0.09 0.00 0.00 57.88 57.91 2k0f h LEU 65 Cb 0.32 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2k0f h LEU 65 CO -0.23 0.84 -1.13 0.74 0.09 0.00 0.00 178.44 178.76 2k0f h THR 66 N 0.46 1.60 -0.01 0.22 2.02 -0.88 -2.29 112.91 114.04 2k0f h THR 66 Ca 0.06 -3.25 -0.01 0.00 0.77 0.00 0.00 66.41 63.97 2k0f h THR 66 Cb 0.78 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 70.07 2k0f h THR 66 CO 0.06 0.93 -0.04 -0.03 0.37 0.00 0.00 175.52 176.81 2k0f h MET 67 N 0.03 0.05 0.04 6.66 1.85 -0.97 -3.37 114.93 119.22 2k0f h MET 67 Ca -0.07 -0.04 -0.19 0.00 -0.61 0.00 0.00 59.70 58.79 2k0f h MET 67 Cb 1.86 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.89 2k0f h MET 67 CO 0.16 0.70 -0.98 0.52 -0.40 0.00 0.00 176.91 176.90 2k0f h MET 68 N -0.59 0.09 0.00 0.39 2.86 -1.33 -3.39 114.93 112.96 2k0f h MET 68 Ca -0.00 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2k0f h MET 68 Cb 0.70 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.42 2k0f h MET 68 CO 0.01 1.08 0.00 0.00 1.06 0.00 0.00 176.91 179.06 2k0f n ALA 69 N -3.03 2.47 -0.77 6.32 0.00 -0.86 -4.79 120.51 119.85 2k0f n ALA 69 Ca -0.24 -0.16 -0.30 0.00 0.00 0.00 0.00 53.44 52.75 2k0f n ALA 69 Cb 0.71 -1.45 0.18 0.00 0.00 0.00 0.00 19.45 18.89 2k0f n ALA 69 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2k0f s ARG 70 N -2.25 0.62 -0.14 0.00 1.70 -1.26 -5.05 118.95 112.58 2k0f s ARG 70 Ca 0.35 1.24 0.01 0.00 -0.47 0.00 0.00 55.73 56.85 2k0f s ARG 70 Cb 0.19 -1.70 -0.01 0.00 -0.57 0.00 0.00 34.95 32.86 2k0f s ARG 70 CO 0.37 -2.80 -0.15 0.15 -1.08 0.00 0.00 175.30 171.78 2k0f s LYS 71 N -4.66 3.25 0.18 3.89 1.02 -1.26 -5.11 119.74 117.06 2k0f s LYS 71 Ca 0.66 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.93 2k0f s LYS 71 Cb -0.22 -2.59 0.02 0.00 -0.52 0.00 0.00 37.83 34.52 2k0f s LYS 71 CO 0.59 0.10 0.17 -1.33 -0.92 0.00 0.00 175.35 173.97 2k0f n MET 72 N 3.83 1.11 -2.36 1.68 2.81 -1.26 -5.13 117.12 117.81 2k0f n MET 72 Ca -0.19 -1.08 -0.25 0.00 -1.81 0.00 0.00 57.70 54.38 2k0f n MET 72 Cb 0.52 0.05 0.05 0.00 -0.71 0.00 0.00 33.22 33.14 2k0f n MET 72 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2k0f s LYS 73 N -2.77 2.49 0.09 0.03 -2.85 -1.26 -4.93 119.74 110.54 2k0f s LYS 73 Ca 0.13 -0.28 -0.16 0.00 -1.00 0.00 0.00 55.97 54.66 2k0f s LYS 73 Cb -0.01 -2.27 -0.09 0.00 -2.06 0.00 0.00 37.83 33.41 2k0f s LYS 73 CO 0.08 -0.96 1.43 -0.44 0.10 0.00 0.00 175.35 175.56 2k0f h ASP 74 N -0.33 0.64 -0.01 0.03 3.32 -2.00 -1.67 116.42 116.39 2k0f h ASP 74 Ca -0.44 -0.44 0.01 0.00 0.02 0.00 0.00 57.03 56.18 2k0f h ASP 74 Cb 1.29 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 2k0f h ASP 74 CO 0.59 0.94 -0.23 0.71 -1.72 0.00 0.00 179.24 179.53 2k0f h THR 75 N 0.34 0.00 -0.75 0.35 1.35 -1.99 -2.45 112.91 109.76 2k0f h THR 75 Ca 0.05 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.07 2k0f h THR 75 Cb 0.73 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.10 2k0f h THR 75 CO 0.05 0.00 0.50 0.44 -0.25 0.00 0.00 175.52 176.26 2k0f h ASP 76 N -0.28 0.35 0.23 5.36 3.32 -1.96 -1.59 116.42 121.86 2k0f h ASP 76 Ca 0.01 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2k0f h ASP 76 Cb 0.31 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2k0f h ASP 76 CO -0.16 0.18 -0.11 0.28 -1.72 0.00 0.00 179.24 177.71 2k0f h SER 77 N 0.37 -0.27 -0.38 6.45 0.02 -1.23 -2.88 113.55 115.64 2k0f h SER 77 Ca 0.37 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2k0f h SER 77 Cb 0.89 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2k0f h SER 77 CO -0.11 0.13 0.23 -0.08 -1.14 0.00 0.00 176.83 175.86 2k0f h GLU 78 N -0.71 0.53 0.00 3.45 4.81 -1.21 -2.71 114.58 118.74 2k0f h GLU 78 Ca -0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 78 Cb 0.49 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2k0f h GLU 78 CO 0.05 0.37 0.00 0.93 -0.73 0.00 0.00 179.01 179.64 2k0f h GLU 79 N 0.54 0.00 0.14 1.92 4.39 -1.14 -2.50 114.58 117.93 2k0f h GLU 79 Ca 0.14 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 2k0f h GLU 79 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2k0f h GLU 79 CO -0.03 0.00 -0.07 1.49 -1.16 0.00 0.00 179.01 179.25 2k0f h GLU 80 N 0.00 -0.18 -0.96 2.33 4.81 -1.37 -3.37 114.58 115.84 2k0f h GLU 80 Ca 0.00 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.41 2k0f h GLU 80 Cb 0.83 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.16 2k0f h GLU 80 CO 0.00 -0.12 0.61 0.82 -0.73 0.00 0.00 179.01 179.59 2k0f h ILE 81 N -0.33 0.77 -0.54 2.32 2.04 -1.38 -0.21 117.51 120.17 2k0f h ILE 81 Ca -0.02 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2k0f h ILE 81 Cb 0.14 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 2k0f h ILE 81 CO 0.03 0.13 0.30 0.03 0.00 0.00 0.00 178.15 178.64 2k0f h ARG 82 N 0.72 0.75 -0.11 2.37 3.08 -1.66 -0.72 114.38 118.82 2k0f h ARG 82 Ca 0.52 -0.09 -0.22 0.00 0.07 0.00 0.00 59.98 60.25 2k0f h ARG 82 Cb 0.85 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.76 2k0f h ARG 82 CO -0.28 0.58 -0.82 1.49 -1.07 0.00 0.00 179.97 179.87 2k0f h GLU 83 N 0.73 0.69 -0.81 0.04 4.57 -1.57 -3.16 114.58 115.06 2k0f h GLU 83 Ca 0.19 -0.60 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 2k0f h GLU 83 Cb 0.05 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 2k0f h GLU 83 CO -0.03 1.21 0.52 0.00 -1.18 0.00 0.00 179.01 179.53 2k0f h ALA 84 N 0.61 1.03 -0.92 2.92 0.00 -0.89 -2.97 119.26 119.04 2k0f h ALA 84 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k0f h ALA 84 Cb 1.45 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2k0f h ALA 84 CO 0.16 0.46 0.58 0.35 0.00 0.00 0.00 179.25 180.80 2k0f h PHE 85 N 1.10 1.19 0.00 0.00 3.04 -1.10 -1.42 116.94 119.75 2k0f h PHE 85 Ca 0.30 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.26 2k0f h PHE 85 Cb -0.10 -0.40 0.00 0.00 2.56 0.00 0.00 35.95 38.01 2k0f h PHE 85 CO -0.01 0.77 0.00 2.89 -2.02 0.00 0.00 178.31 179.94 2k0f n ARG 86 N -4.37 0.86 -0.06 1.11 1.85 -1.12 -2.13 116.66 112.80 2k0f n ARG 86 Ca 0.10 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.80 2k0f n ARG 86 Cb 0.04 -1.03 -0.04 0.00 -1.05 0.00 0.00 32.46 30.38 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2k0f h VAL 87 N 0.00 1.28 0.25 8.89 2.07 -1.32 -3.38 116.25 124.03 2k0f h VAL 87 Ca 0.00 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 65.70 2k0f h VAL 87 Cb 0.03 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2k0f h VAL 87 CO 0.00 0.58 -0.12 -0.26 0.02 0.00 0.00 177.57 177.80 2k0f h PHE 88 N 0.62 -0.31 -2.64 1.57 -1.00 -1.55 -3.44 116.94 110.19 2k0f h PHE 88 Ca -0.01 -0.01 -0.57 0.00 2.81 0.00 0.00 57.97 60.20 2k0f h PHE 88 Cb 1.23 0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.87 2k0f h PHE 88 CO 0.08 -0.19 1.21 0.34 -1.61 0.00 0.00 178.31 178.14 2k0f s ASP 89 N -4.74 6.14 -0.19 2.17 2.15 -0.91 -4.66 116.67 116.63 2k0f s ASP 89 Ca -0.05 1.61 0.07 0.00 0.43 0.00 0.00 52.55 54.61 2k0f s ASP 89 Cb 0.00 -2.53 -0.22 0.00 -0.30 0.00 0.00 42.92 39.88 2k0f s ASP 89 CO 0.14 -1.45 0.08 1.17 -0.17 0.00 0.00 175.17 174.94 2k0f n LYS 90 N 8.00 0.68 0.00 4.34 3.00 -1.26 -4.66 118.16 128.26 2k0f n LYS 90 Ca 0.21 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 2k0f n LYS 90 Cb 0.45 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 33.90 2k0f n LYS 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2k0f n ASP 91 N -3.09 0.00 0.00 3.14 5.68 -1.26 -5.00 116.55 116.01 2k0f n ASP 91 Ca -0.36 0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 2k0f n ASP 91 Cb 1.06 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.90 2k0f n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 92 N 1.62 0.00 0.25 6.12 0.00 -1.26 -5.05 105.19 106.86 2k0f n GLY 92 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.51 1.61 7.08 -1.95 -3.47 115.58 118.34 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 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 93 CO 0.00 0.05 0.00 0.61 -2.08 0.00 0.00 177.43 176.01 2k0f n GLY 94 N 0.35 0.84 2.81 9.14 0.00 -1.26 -5.05 105.19 112.02 2k0f n GLY 94 Ca 0.01 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.51 -0.16 -0.31 1.61 1.51 -1.26 -4.39 117.35 111.84 2k0f s TYR 95 Ca 0.00 0.52 -0.29 0.00 -1.01 0.00 0.00 57.07 56.29 2k0f s TYR 95 Cb 0.00 -0.30 0.02 0.00 -0.11 0.00 0.00 41.96 41.56 2k0f s TYR 95 CO 0.00 -0.31 1.07 0.42 -1.11 0.00 0.00 175.55 175.62 2k0f s ILE 96 N 2.28 4.53 0.82 2.71 1.01 0.19 -4.84 121.20 127.90 2k0f s ILE 96 Ca 0.03 1.75 -0.10 0.00 0.00 0.00 0.00 60.65 62.33 2k0f s ILE 96 Cb -0.13 -4.40 0.13 0.00 0.01 0.00 0.00 42.46 38.07 2k0f s ILE 96 CO -0.06 -0.46 1.15 -0.94 0.00 0.00 0.00 174.94 174.64 2k0f s SER 97 N 1.62 4.06 0.17 3.58 1.04 -1.26 -1.08 113.70 121.83 2k0f s SER 97 Ca 0.45 0.32 -0.09 0.00 0.48 0.00 0.00 55.95 57.11 2k0f s SER 97 Cb -0.12 -0.67 0.03 0.00 0.10 0.00 0.00 66.02 65.36 2k0f s SER 97 CO 0.15 -2.11 1.54 0.00 0.98 0.00 0.00 173.24 173.79 2k0f h ALA 98 N -1.05 0.69 0.03 5.32 0.00 -1.97 -1.63 119.26 120.64 2k0f h ALA 98 Ca -0.43 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.08 2k0f h ALA 98 Cb 1.28 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2k0f h ALA 98 CO 0.50 0.67 -0.23 0.00 0.00 0.00 0.00 179.25 180.19 2k0f h ALA 99 N 0.89 -0.32 -0.27 0.00 0.00 -1.98 -0.39 119.26 117.19 2k0f h ALA 99 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2k0f h ALA 99 Cb 0.87 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2k0f h ALA 99 CO 0.08 -0.73 -0.01 0.93 0.00 0.00 0.00 179.25 179.52 2k0f h GLU 100 N -0.38 0.40 -0.07 0.00 5.08 -1.85 -2.70 114.58 115.07 2k0f h GLU 100 Ca 0.05 -0.07 -0.23 0.00 -1.00 0.00 0.00 59.36 58.11 2k0f h GLU 100 Cb 0.44 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.64 2k0f h GLU 100 CO -0.18 0.43 -0.88 1.25 -1.00 0.00 0.00 179.01 178.63 2k0f h LEU 101 N 0.39 0.79 -0.39 1.33 5.85 -1.21 -3.29 115.31 118.77 2k0f h LEU 101 Ca 0.09 -0.57 -0.06 0.00 0.84 0.00 0.00 57.88 58.18 2k0f h LEU 101 Cb 0.27 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2k0f h LEU 101 CO 0.01 1.36 -0.00 -0.09 -0.34 0.00 0.00 178.44 179.38 2k0f h ARG 102 N 0.40 0.69 -0.37 1.25 2.43 -0.75 -2.38 114.38 115.65 2k0f h ARG 102 Ca -0.08 -0.22 0.08 0.00 -0.81 0.00 0.00 59.98 58.95 2k0f h ARG 102 Cb 1.51 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.91 2k0f h ARG 102 CO 0.17 0.78 -0.29 0.45 -1.51 0.00 0.00 179.97 179.57 2k0f h HIS 103 N 0.51 -0.80 0.80 2.20 3.86 -1.65 0.30 115.15 120.38 2k0f h HIS 103 Ca 0.11 0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.34 2k0f h HIS 103 Cb 0.47 0.41 0.00 0.00 1.06 0.00 0.00 27.41 29.35 2k0f h HIS 103 CO 0.04 -0.36 -0.42 0.28 0.86 0.00 0.00 177.93 178.33 2k0f h VAL 104 N -0.24 0.15 -0.73 2.45 2.07 -1.59 0.28 116.25 118.65 2k0f h VAL 104 Ca 0.17 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.81 2k0f h VAL 104 Cb 0.51 0.15 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 2k0f h VAL 104 CO -0.51 0.00 0.34 0.24 0.02 0.00 0.00 177.57 177.66 2k0f h MET 105 N -1.12 0.52 -0.60 1.57 2.07 -1.38 -1.69 114.93 114.31 2k0f h MET 105 Ca -0.11 -0.03 -0.04 0.00 -2.07 0.00 0.00 59.70 57.45 2k0f h MET 105 Cb 0.87 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 30.46 2k0f h MET 105 CO 0.16 0.35 0.20 1.15 1.07 0.00 0.00 176.91 179.84 2k0f h THR 106 N 0.54 1.24 -0.39 2.22 2.02 -0.51 -1.67 112.91 116.37 2k0f h THR 106 Ca 0.38 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2k0f h THR 106 Cb 0.49 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2k0f h THR 106 CO -0.33 0.30 0.20 0.78 0.37 0.00 0.00 175.52 176.84 2k0f h ASN 107 N 0.84 0.47 -0.01 4.18 2.35 0.18 -3.22 115.58 120.37 2k0f h ASN 107 Ca 0.19 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2k0f h ASN 107 Cb 0.26 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2k0f h ASN 107 CO -0.01 0.40 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.06 2k0f h LEU 108 N 0.54 0.04 0.00 1.61 3.38 -1.31 -3.45 115.31 116.13 2k0f h LEU 108 Ca 0.14 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2k0f h LEU 108 Cb 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2k0f h LEU 108 CO -0.02 0.72 0.00 0.61 0.09 0.00 0.00 178.44 179.84 2k0f n GLY 109 N 0.77 0.21 3.86 0.83 0.00 -1.01 -4.81 105.19 105.03 2k0f n GLY 109 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 3.35 -0.39 1.61 2.56 -0.66 -5.01 118.70 120.16 2k0f s GLU 110 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 54.97 54.61 2k0f s GLU 110 Cb 0.00 -3.07 0.08 0.00 2.00 0.00 0.00 34.13 33.14 2k0f s GLU 110 CO 0.00 0.70 0.20 0.21 -0.56 0.00 0.00 175.26 175.81 2k0f s LYS 111 N -1.58 2.43 0.31 4.30 2.20 -1.26 -4.41 119.74 121.73 2k0f s LYS 111 Ca 0.22 -1.50 0.10 0.00 -0.36 0.00 0.00 55.97 54.43 2k0f s LYS 111 Cb -0.12 -3.62 -0.06 0.00 -1.51 0.00 0.00 37.83 32.52 2k0f s LYS 111 CO 0.13 -0.91 -0.10 -0.51 -0.36 0.00 0.00 175.35 173.59 2k0f s LEU 112 N 1.32 2.77 0.52 5.43 1.43 -1.26 -5.16 118.68 123.74 2k0f s LEU 112 Ca 0.03 -1.05 0.06 0.00 -1.03 0.00 0.00 54.13 52.14 2k0f s LEU 112 Cb -0.22 -1.17 0.03 0.00 0.03 0.00 0.00 46.19 44.86 2k0f s LEU 112 CO 0.00 -0.11 0.43 0.42 0.23 0.00 0.00 176.35 177.32 2k0f s THR 113 N -2.53 1.92 0.29 5.49 -4.23 -1.26 -5.04 115.64 110.27 2k0f s THR 113 Ca 0.32 -1.42 -0.02 0.00 -1.18 0.00 0.00 61.69 59.38 2k0f s THR 113 Cb -0.01 -2.34 0.23 0.00 1.34 0.00 0.00 72.50 71.71 2k0f s THR 113 CO 0.17 0.00 1.92 0.44 -0.54 0.00 0.00 174.62 176.61 2k0f h ASP 114 N 0.77 0.92 -0.72 3.99 5.19 -2.01 -2.68 116.42 121.88 2k0f h ASP 114 Ca -0.37 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 55.94 2k0f h ASP 114 Cb 1.29 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 40.54 2k0f h ASP 114 CO 0.56 0.73 0.32 -0.33 -3.12 0.00 0.00 179.24 177.40 2k0f h GLU 115 N 1.05 1.05 -0.37 3.56 3.07 -1.98 -1.37 114.58 119.59 2k0f h GLU 115 Ca 0.27 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 2k0f h GLU 115 Cb -0.00 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.71 2k0f h GLU 115 CO -0.05 0.84 0.13 0.93 -1.40 0.00 0.00 179.01 179.47 2k0f h GLU 116 N 1.02 0.56 -0.02 2.33 5.08 -1.92 -1.12 114.58 120.50 2k0f h GLU 116 Ca 0.24 -0.11 -0.22 0.00 -1.00 0.00 0.00 59.36 58.27 2k0f h GLU 116 Cb 0.15 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2k0f h GLU 116 CO -0.03 0.56 -0.91 0.28 -1.00 0.00 0.00 179.01 177.91 2k0f h VAL 117 N 0.45 1.38 -0.16 3.13 2.07 -1.35 0.23 116.25 121.99 2k0f h VAL 117 Ca 0.12 -2.36 0.04 0.00 0.82 0.00 0.00 66.70 65.32 2k0f h VAL 117 Cb 0.22 2.35 -0.07 0.00 -1.52 0.00 0.00 31.29 32.27 2k0f h VAL 117 CO -0.01 0.71 -0.51 -0.78 0.02 0.00 0.00 177.57 177.00 2k0f h ASP 118 N 0.27 -1.64 -0.92 0.57 1.82 -1.34 -0.91 116.42 114.27 2k0f h ASP 118 Ca -0.08 0.20 0.15 0.00 -0.39 0.00 0.00 57.03 56.92 2k0f h ASP 118 Cb 1.54 0.65 -0.09 0.00 0.68 0.00 0.00 39.33 42.11 2k0f h ASP 118 CO 0.16 -0.46 0.52 -0.08 -1.61 0.00 0.00 179.24 177.77 2k0f h GLU 119 N -0.54 0.72 -0.30 0.28 4.81 -0.70 0.59 114.58 119.43 2k0f h GLU 119 Ca 0.05 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2k0f h GLU 119 Cb 0.66 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 2k0f h GLU 119 CO -0.45 0.48 -0.05 0.52 -0.73 0.00 0.00 179.01 178.78 2k0f h MET 120 N 0.74 0.03 -0.19 1.92 2.86 -0.53 -2.47 114.93 117.30 2k0f h MET 120 Ca 0.50 -0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.95 2k0f h MET 120 Cb 0.67 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 2k0f h MET 120 CO -0.34 0.02 -0.63 0.82 1.06 0.00 0.00 176.91 177.84 2k0f h ILE 121 N 0.03 1.31 -0.83 -1.22 1.08 -0.71 -0.86 117.51 116.32 2k0f h ILE 121 Ca 0.14 -1.87 0.01 0.00 -0.39 0.00 0.00 64.86 62.75 2k0f h ILE 121 Cb 0.21 1.83 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 2k0f h ILE 121 CO -0.28 0.59 0.55 -0.09 -0.69 0.00 0.00 178.15 178.22 2k0f h ARG 122 N 0.49 1.08 -0.13 2.37 2.43 -0.99 0.70 114.38 120.32 2k0f h ARG 122 Ca -0.01 -0.06 -0.23 0.00 -0.81 0.00 0.00 59.98 58.87 2k0f h ARG 122 Cb 1.21 -0.24 0.01 0.00 -0.42 0.00 0.00 29.97 30.53 2k0f h ARG 122 CO 0.12 0.71 -0.82 1.49 -1.51 0.00 0.00 179.97 179.97 2k0f h GLU 123 N 1.11 0.77 0.24 0.20 4.81 -1.22 -3.33 114.58 117.16 2k0f h GLU 123 Ca 0.31 -0.66 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 2k0f h GLU 123 Cb -0.10 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2k0f h GLU 123 CO -0.07 1.26 -0.11 0.00 -0.73 0.00 0.00 179.01 179.35 2k0f h ALA 124 N 0.54 -0.32 -2.65 2.92 0.00 -0.41 -3.46 119.26 115.88 2k0f h ALA 124 Ca -0.06 -0.09 -0.51 0.00 0.00 0.00 0.00 54.91 54.25 2k0f h ALA 124 Cb 1.45 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2k0f h ALA 124 CO 0.17 -0.66 0.44 0.34 0.00 0.00 0.00 179.25 179.54 2k0f s ASP 125 N -4.95 7.36 -0.18 0.00 2.15 0.17 -4.92 116.67 116.30 2k0f s ASP 125 Ca -0.15 2.02 -0.14 0.00 0.43 0.00 0.00 52.55 54.71 2k0f s ASP 125 Cb 0.05 -2.60 -0.07 0.00 -0.30 0.00 0.00 42.92 39.99 2k0f s ASP 125 CO 0.64 -0.14 -0.30 -0.38 -0.17 0.00 0.00 175.17 174.81 2k0f n ILE 126 N 2.31 1.41 0.09 4.11 5.41 -1.26 -4.86 119.36 126.57 2k0f n ILE 126 Ca 0.02 -0.01 -0.13 0.00 1.00 0.00 0.00 62.75 63.63 2k0f n ILE 126 Cb 0.47 -2.09 -0.09 0.00 -0.71 0.00 0.00 39.64 37.22 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 -0.86 0.36 0.00 4.38 3.04 -1.94 -3.48 116.42 117.93 2k0f h ASP 127 Ca -0.23 -0.35 0.00 0.00 -3.24 0.00 0.00 57.03 53.21 2k0f h ASP 127 Cb 1.11 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 39.29 2k0f h ASP 127 CO -0.14 1.22 0.00 0.61 -2.04 0.00 0.00 179.24 178.89 2k0f n GLY 128 N 1.27 -0.10 0.13 7.15 0.00 -1.26 -5.07 105.19 107.31 2k0f n GLY 128 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 1.97 0.00 1.61 5.75 -1.26 -5.01 116.55 119.61 2k0f n ASP 129 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 2k0f n ASP 129 Cb 0.00 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.47 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 1.77 1.23 3.62 6.12 0.00 -1.26 -5.11 105.19 111.56 2k0f n GLY 130 Ca -0.50 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.45 2.19 -0.33 1.61 -0.21 -1.26 -4.67 119.66 116.53 2k0f s GLN 131 Ca 0.00 -1.50 -0.10 0.00 0.02 0.00 0.00 55.36 53.78 2k0f s GLN 131 Cb 0.00 -2.08 0.00 0.00 1.00 0.00 0.00 33.01 31.93 2k0f s GLN 131 CO 0.00 0.33 0.17 0.08 -2.12 0.00 0.00 175.29 173.75 2k0f s VAL 132 N -2.37 4.60 0.00 1.09 1.01 -0.25 -4.79 120.40 119.69 2k0f s VAL 132 Ca 0.32 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2k0f s VAL 132 Cb -0.06 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2k0f s VAL 132 CO 0.19 -0.03 0.00 -0.46 0.00 0.00 0.00 175.10 174.80 2k0f n ASN 133 N 4.99 0.00 -0.09 3.32 0.23 -1.26 -0.64 115.26 121.80 2k0f n ASN 133 Ca -0.13 -0.43 -0.11 0.00 -0.53 0.00 0.00 54.58 53.38 2k0f n ASN 133 Cb 0.48 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.15 2k0f n ASN 133 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 2k0f h TYR 134 N -0.03 0.51 -0.55 -2.53 0.05 -1.99 -2.55 116.97 109.88 2k0f h TYR 134 Ca 0.00 -0.08 -0.10 0.00 0.05 0.00 0.00 58.73 58.60 2k0f h TYR 134 Cb 0.00 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 2k0f h TYR 134 CO 0.00 0.59 -0.04 0.93 -1.05 0.00 0.00 178.16 178.59 2k0f h GLU 135 N 0.27 1.00 -0.15 4.88 4.39 -1.96 -2.15 114.58 120.86 2k0f h GLU 135 Ca 0.08 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 2k0f h GLU 135 Cb 0.37 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2k0f h GLU 135 CO 0.01 1.02 -0.02 0.93 -1.16 0.00 0.00 179.01 179.79 2k0f h GLU 136 N 0.88 0.28 -0.29 2.33 5.08 -1.94 -3.30 114.58 117.61 2k0f h GLU 136 Ca 0.15 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 136 Cb 0.60 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 2k0f h GLU 136 CO 0.04 0.53 -0.42 0.35 -1.00 0.00 0.00 179.01 178.51 2k0f h PHE 137 N -0.01 -1.28 0.00 4.33 3.04 -1.12 -2.86 116.94 119.05 2k0f h PHE 137 Ca 0.04 0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 2k0f h PHE 137 Cb 0.42 0.60 -0.00 0.00 2.56 0.00 0.00 35.95 39.52 2k0f h PHE 137 CO 0.04 -0.37 -0.05 -0.24 -2.02 0.00 0.00 178.31 175.67 2k0f h VAL 138 N -0.31 0.10 0.24 1.41 3.04 -1.51 -3.07 116.25 116.16 2k0f h VAL 138 Ca 0.05 -0.98 -0.01 0.00 -1.01 0.00 0.00 66.70 64.75 2k0f h VAL 138 Cb 0.45 1.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 2k0f h VAL 138 CO -0.44 0.05 -0.12 -0.61 -1.01 0.00 0.00 177.57 175.45 2k0f h GLN 139 N 0.00 -0.31 0.00 4.17 5.75 -1.63 -3.31 115.11 119.78 2k0f h GLN 139 Ca -0.00 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 2k0f h GLN 139 Cb 0.89 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.51 2k0f h GLN 139 CO 0.01 -0.08 -0.04 0.00 -2.65 0.00 0.00 178.83 176.06 2k0f h MET 140 N -1.04 0.00 0.00 1.69 -0.00 -1.47 -2.53 114.93 111.59 2k0f h MET 140 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2k0f h MET 140 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.97 2k0f h MET 140 CO 0.05 0.04 0.00 -1.33 -0.00 0.00 0.00 176.91 175.67 2k0f n MET 141 N -3.26 0.06 0.00 -0.10 2.81 -1.16 -5.13 117.12 110.34 2k0f n MET 141 Ca -0.01 0.14 0.09 0.00 -1.81 0.00 0.00 57.70 56.11 2k0f n MET 141 Cb 0.21 -1.58 0.51 0.00 -0.71 0.00 0.00 33.22 31.66 2k0f n MET 141 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89