#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 1.10 -0.99 -0.78 9.09 -2.05 -0.79 114.58 120.15 2k0f h GLU 2 Ca 0.00 -0.22 0.14 0.00 0.05 0.00 0.00 59.36 59.33 2k0f h GLU 2 Cb 0.00 -0.17 -0.09 0.00 -1.65 0.00 0.00 28.75 26.85 2k0f h GLU 2 CO 0.00 0.93 0.62 1.49 0.05 0.00 0.00 179.01 182.10 2k0f h GLU 3 N 1.06 0.88 0.08 1.06 4.81 -2.05 0.14 114.58 120.55 2k0f h GLU 3 Ca 0.23 -0.05 -0.25 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 3 Cb 0.28 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2k0f h GLU 3 CO -0.01 0.58 -1.13 0.37 -0.73 0.00 0.00 179.01 178.09 2k0f h GLN 4 N 0.90 0.21 -0.40 1.92 5.75 -1.60 -2.07 115.11 119.82 2k0f h GLN 4 Ca 0.51 -0.33 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 2k0f h GLN 4 Cb 0.62 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 2k0f h GLN 4 CO -0.29 1.14 0.15 0.82 -2.65 0.00 0.00 178.83 178.00 2k0f h ILE 5 N 0.07 1.20 -0.62 2.39 1.08 -0.57 -1.29 117.51 119.77 2k0f h ILE 5 Ca -0.09 -0.63 0.13 0.00 -0.39 0.00 0.00 64.86 63.87 2k0f h ILE 5 Cb 1.85 0.86 -0.10 0.00 -3.07 0.00 0.00 36.82 36.37 2k0f h ILE 5 CO 0.18 0.23 0.05 0.00 -0.69 0.00 0.00 178.15 177.91 2k0f h ALA 6 N 1.00 0.66 -0.00 1.87 0.00 -0.75 -0.48 119.26 121.55 2k0f h ALA 6 Ca 0.13 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2k0f h ALA 6 Cb 0.21 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k0f h ALA 6 CO -0.01 -0.37 -0.15 -1.91 0.00 0.00 0.00 179.25 176.81 2k0f n GLU 7 N -5.24 0.52 0.04 0.00 2.13 -0.78 -1.30 120.64 116.00 2k0f n GLU 7 Ca 0.09 -0.18 -0.06 0.00 0.66 0.00 0.00 57.16 57.67 2k0f n GLU 7 Cb 0.36 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.46 2k0f n GLU 7 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 2k0f h PHE 8 N 0.44 0.00 0.00 4.31 0.04 -0.46 -3.33 116.94 117.95 2k0f h PHE 8 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2k0f h PHE 8 Cb 0.40 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 2k0f h PHE 8 CO 0.00 0.94 -0.09 -0.22 -0.60 0.00 0.00 178.31 178.34 2k0f h LYS 9 N 0.00 0.00 -0.80 1.51 3.64 -0.19 -1.93 116.57 118.80 2k0f h LYS 9 Ca -0.12 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 2k0f h LYS 9 Cb 1.82 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.60 2k0f h LYS 9 CO 0.10 0.09 0.31 0.93 -2.27 0.00 0.00 179.45 178.61 2k0f h GLU 10 N 0.00 1.20 -0.70 1.90 4.39 -1.36 -0.75 114.58 119.25 2k0f h GLU 10 Ca -0.00 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 2k0f h GLU 10 Cb 1.04 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 2k0f h GLU 10 CO 0.01 0.97 0.37 0.00 -1.16 0.00 0.00 179.01 179.21 2k0f h ALA 11 N 1.17 0.90 -0.10 3.43 0.00 -1.59 -3.24 119.26 119.83 2k0f h ALA 11 Ca 0.26 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2k0f h ALA 11 Cb 0.23 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2k0f h ALA 11 CO -0.02 0.42 -0.50 0.35 0.00 0.00 0.00 179.25 179.50 2k0f h PHE 12 N 0.96 -1.49 -0.45 0.00 3.04 -1.24 -3.09 116.94 114.68 2k0f h PHE 12 Ca 0.25 0.05 0.13 0.00 3.98 0.00 0.00 57.97 62.38 2k0f h PHE 12 Cb 0.06 0.66 -0.02 0.00 2.56 0.00 0.00 35.95 39.21 2k0f h PHE 12 CO -0.00 -0.51 0.41 0.77 -2.02 0.00 0.00 178.31 176.96 2k0f h SER 13 N -0.56 0.00 1.61 0.41 0.02 -1.19 -0.48 113.55 113.37 2k0f h SER 13 Ca 0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2k0f h SER 13 Cb 0.64 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 2k0f h SER 13 CO -0.39 0.00 -0.10 0.17 -1.14 0.00 0.00 176.83 175.37 2k0f h LEU 14 N 0.00 0.00 0.09 5.07 8.10 -1.56 -3.19 115.31 123.81 2k0f h LEU 14 Ca 0.21 0.00 -0.22 0.00 0.11 0.00 0.00 57.88 57.98 2k0f h LEU 14 Cb 1.04 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.25 2k0f h LEU 14 CO -0.00 0.10 -1.13 -0.26 -4.11 0.00 0.00 178.44 173.05 2k0f h PHE 15 N 0.00 0.34 -3.47 0.17 0.04 -1.21 -3.46 116.94 109.35 2k0f h PHE 15 Ca -0.00 -0.25 -0.56 0.00 2.80 0.00 0.00 57.97 59.95 2k0f h PHE 15 Cb 0.94 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 39.01 2k0f h PHE 15 CO 0.00 1.44 0.97 0.34 -0.60 0.00 0.00 178.31 180.46 2k0f s ASP 16 N -6.90 6.58 0.30 2.17 -1.08 -0.68 -4.77 116.67 112.30 2k0f s ASP 16 Ca -0.20 0.73 0.17 0.00 -0.52 0.00 0.00 52.55 52.73 2k0f s ASP 16 Cb 0.03 -2.55 0.11 0.00 -1.46 0.00 0.00 42.92 39.06 2k0f s ASP 16 CO 0.74 -1.25 1.42 0.11 0.52 0.00 0.00 175.17 176.72 2k0f h LYS 17 N 9.54 0.00 0.03 4.34 1.57 -1.89 -3.09 116.57 127.07 2k0f h LYS 17 Ca -0.24 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 2k0f h LYS 17 Cb 1.08 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.40 2k0f h LYS 17 CO 1.09 0.35 -0.32 -0.44 -0.57 0.00 0.00 179.45 179.56 2k0f h ASP 18 N 0.00 0.23 -0.12 0.86 3.32 -1.94 -3.48 116.42 115.29 2k0f h ASP 18 Ca -0.02 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.16 2k0f h ASP 18 Cb 1.29 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2k0f h ASP 18 CO 0.05 1.08 0.00 0.61 -1.72 0.00 0.00 179.24 179.25 2k0f n GLY 19 N 1.33 1.12 0.00 2.75 0.00 -1.17 -5.09 105.19 104.14 2k0f n GLY 19 Ca -0.11 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.97 0.00 0.00 1.61 5.75 -1.26 -5.07 116.55 118.54 2k0f n ASP 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2k0f n ASP 20 Cb 0.26 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 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 2.88 0.00 2.88 6.12 0.00 -1.26 -5.12 105.19 110.69 2k0f n GLY 21 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2k0f n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 22 N 0.00 0.49 -0.39 2.61 2.01 -1.26 -4.03 115.64 115.06 2k0f s THR 22 Ca 0.00 -0.08 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 2k0f s THR 22 Cb 0.00 -0.53 0.04 0.00 0.01 0.00 0.00 72.50 72.02 2k0f s THR 22 CO 0.00 0.22 0.23 -0.63 -0.69 0.00 0.00 174.62 173.75 2k0f s ILE 23 N 0.99 4.54 0.90 1.82 1.01 0.15 -4.98 121.20 125.64 2k0f s ILE 23 Ca -0.10 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.44 2k0f s ILE 23 Cb -0.14 -3.60 0.13 0.00 0.01 0.00 0.00 42.46 38.86 2k0f s ILE 23 CO -0.00 -0.32 1.11 0.42 0.00 0.00 0.00 174.94 176.15 2k0f s THR 24 N 1.53 2.33 0.35 2.92 -4.23 -1.26 -2.14 115.64 115.13 2k0f s THR 24 Ca 0.02 0.11 0.06 0.00 -1.18 0.00 0.00 61.69 60.69 2k0f s THR 24 Cb -0.20 -2.77 0.30 0.00 1.34 0.00 0.00 72.50 71.16 2k0f s THR 24 CO 0.06 -0.14 1.93 0.71 -0.54 0.00 0.00 174.62 176.63 2k0f h THR 25 N -1.50 0.98 -0.03 3.99 1.35 -1.96 -1.43 112.91 114.32 2k0f h THR 25 Ca -0.51 -0.27 -0.00 0.00 -0.55 0.00 0.00 66.41 65.08 2k0f h THR 25 Cb 1.31 0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.85 2k0f h THR 25 CO 0.60 0.15 0.01 0.11 -0.25 0.00 0.00 175.52 176.13 2k0f h LYS 26 N 0.80 0.04 -0.23 4.72 6.56 -1.98 0.70 116.57 127.18 2k0f h LYS 26 Ca 0.36 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.90 2k0f h LYS 26 Cb 0.36 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.00 2k0f h LYS 26 CO -0.14 0.22 -0.04 0.93 -2.06 0.00 0.00 179.45 178.36 2k0f h GLU 27 N -0.14 0.34 0.12 3.15 5.08 -1.78 -2.25 114.58 119.10 2k0f h GLU 27 Ca 0.01 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.09 2k0f h GLU 27 Cb 0.19 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.40 2k0f h GLU 27 CO -0.00 0.41 -1.03 1.25 -1.00 0.00 0.00 179.01 178.64 2k0f h LEU 28 N 0.33 0.38 -1.02 1.33 5.85 -1.32 -3.22 115.31 117.64 2k0f h LEU 28 Ca 0.07 -0.89 0.12 0.00 0.84 0.00 0.00 57.88 58.02 2k0f h LEU 28 Cb 0.29 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 2k0f h LEU 28 CO 0.01 1.47 0.63 1.23 -0.34 0.00 0.00 178.44 181.44 2k0f h GLY 29 N -0.26 1.64 0.79 3.75 0.00 -0.84 -2.89 103.07 105.27 2k0f h GLY 29 Ca -0.21 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 46.74 2k0f h GLY 29 CO 0.09 0.15 0.33 -0.84 0.00 0.00 0.00 176.54 176.27 2k0f h THR 30 N 0.98 1.02 0.00 4.70 2.02 -1.41 -2.34 112.91 117.88 2k0f h THR 30 Ca 0.50 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 67.37 2k0f h THR 30 Cb 0.52 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2k0f h THR 30 CO -0.27 0.12 -0.44 -0.37 0.37 0.00 0.00 175.52 174.93 2k0f h VAL 31 N 0.64 1.04 -0.14 3.16 -1.51 -1.59 -0.99 116.25 116.88 2k0f h VAL 31 Ca 0.24 -1.66 -0.16 0.00 -1.23 0.00 0.00 66.70 63.89 2k0f h VAL 31 Cb 0.09 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.21 2k0f h VAL 31 CO -0.13 0.43 -0.61 0.24 -1.23 0.00 0.00 177.57 176.27 2k0f h MET 32 N 0.00 0.47 -0.02 5.19 2.86 -1.43 -1.18 114.93 120.82 2k0f h MET 32 Ca -0.00 -0.32 -0.16 0.00 -2.06 0.00 0.00 59.70 57.16 2k0f h MET 32 Cb 0.94 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.63 2k0f h MET 32 CO 0.06 0.93 -0.71 0.00 1.06 0.00 0.00 176.91 178.25 2k0f h ARG 33 N 0.35 0.11 0.00 1.72 3.08 -1.28 -1.15 114.38 117.21 2k0f h ARG 33 Ca -0.01 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 2k0f h ARG 33 Cb 1.15 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 2k0f h ARG 33 CO 0.11 0.77 -0.55 0.77 -1.07 0.00 0.00 179.97 180.00 2k0f h SER 34 N 0.08 0.00 0.00 7.04 0.02 -0.92 -3.34 113.55 116.43 2k0f h SER 34 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2k0f h SER 34 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2k0f h SER 34 CO 0.10 0.55 0.00 0.18 -1.14 0.00 0.00 176.83 176.52 2k0f n LEU 35 N -3.62 1.44 0.00 5.07 4.77 -0.47 -5.02 117.00 119.16 2k0f n LEU 35 Ca -0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2k0f n LEU 35 Cb 0.61 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2k0f n LEU 35 CO 0.40 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2k0f n GLY 36 N 1.06 -1.84 3.18 -0.72 0.00 -0.53 -5.10 105.19 101.25 2k0f n GLY 36 Ca 0.00 0.82 -0.08 0.00 0.00 0.00 0.00 46.02 46.75 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 0.81 -0.54 1.61 -0.21 -0.65 -4.98 119.66 115.71 2k0f s GLN 37 Ca 0.00 -1.13 0.02 0.00 0.02 0.00 0.00 55.36 54.28 2k0f s GLN 37 Cb 0.00 0.29 0.14 0.00 1.00 0.00 0.00 33.01 34.44 2k0f s GLN 37 CO 0.00 -0.23 0.29 -0.80 -2.12 0.00 0.00 175.29 172.43 2k0f s ASN 38 N -2.91 4.57 0.40 5.90 0.01 -1.26 -4.12 114.94 117.52 2k0f s ASN 38 Ca 0.09 -2.93 -0.10 0.00 -0.71 0.00 0.00 52.86 49.21 2k0f s ASN 38 Cb 0.06 -1.69 -0.06 0.00 0.41 0.00 0.00 41.25 39.96 2k0f s ASN 38 CO -0.08 -0.27 0.75 -2.16 -1.51 0.00 0.00 177.10 173.83 2k0f s PRO 39 N -0.17 3.76 0.00 -0.60 0.04 -1.26 -5.08 135.00 131.68 2k0f s PRO 39 Ca 0.17 0.42 0.01 0.00 0.04 0.00 0.00 61.00 61.64 2k0f s PRO 39 Cb -0.24 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 2k0f s PRO 39 CO -0.01 -0.02 0.01 0.95 0.04 0.00 0.00 177.00 177.97 2k0f s THR 40 N -2.36 4.22 0.12 1.26 -4.23 -1.26 -5.03 115.64 108.35 2k0f s THR 40 Ca 0.50 -0.60 -0.17 0.00 -1.18 0.00 0.00 61.69 60.25 2k0f s THR 40 Cb -0.10 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 2k0f s THR 40 CO 0.32 0.36 1.62 -0.33 -0.54 0.00 0.00 174.62 176.05 2k0f h GLU 41 N 4.26 0.54 -0.84 3.99 5.08 -1.98 -1.26 114.58 124.37 2k0f h GLU 41 Ca -0.49 -0.12 0.21 0.00 -1.00 0.00 0.00 59.36 57.96 2k0f h GLU 41 Cb 1.18 -0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.21 2k0f h GLU 41 CO 0.58 0.58 0.18 0.00 -1.00 0.00 0.00 179.01 179.35 2k0f h ALA 42 N 0.94 1.13 0.13 3.43 0.00 -2.00 -1.43 119.26 121.47 2k0f h ALA 42 Ca 0.11 0.22 -0.30 0.00 0.00 0.00 0.00 54.91 54.95 2k0f h ALA 42 Cb 0.27 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2k0f h ALA 42 CO -0.00 -0.44 -1.41 0.93 0.00 0.00 0.00 179.25 178.33 2k0f h GLU 43 N 0.19 0.28 -0.72 0.00 5.08 -1.95 -3.18 114.58 114.28 2k0f h GLU 43 Ca 0.51 -0.48 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 43 Cb 0.98 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 2k0f h GLU 43 CO -0.65 1.18 0.34 1.25 -1.00 0.00 0.00 179.01 180.14 2k0f h LEU 44 N 0.08 0.94 -0.03 1.33 5.85 -0.64 -2.74 115.31 120.10 2k0f h LEU 44 Ca -0.20 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 2k0f h LEU 44 Cb 2.01 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.80 2k0f h LEU 44 CO 0.19 0.80 0.02 -0.61 -0.34 0.00 0.00 178.44 178.50 2k0f h GLN 45 N 1.03 0.04 -1.00 1.25 4.15 -1.37 -0.59 115.11 118.62 2k0f h GLN 45 Ca 0.25 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.72 2k0f h GLN 45 Cb 0.12 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.73 2k0f h GLN 45 CO -0.03 0.06 0.65 0.22 -1.93 0.00 0.00 178.83 177.80 2k0f h ASP 46 N 0.00 1.05 0.11 -0.69 3.58 -1.47 0.77 116.42 119.78 2k0f h ASP 46 Ca 0.01 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.21 2k0f h ASP 46 Cb 0.03 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 40.87 2k0f h ASP 46 CO -0.00 0.69 -0.99 0.24 -2.88 0.00 0.00 179.24 176.30 2k0f h MET 47 N 1.20 0.61 -0.59 0.28 2.86 -1.23 -1.54 114.93 116.52 2k0f h MET 47 Ca 0.42 -0.64 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2k0f h MET 47 Cb 0.10 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 2k0f h MET 47 CO -0.15 1.25 0.37 0.82 1.06 0.00 0.00 176.91 180.25 2k0f h ILE 48 N 0.35 1.16 0.00 -1.22 2.04 -0.50 -2.71 117.51 116.63 2k0f h ILE 48 Ca -0.11 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2k0f h ILE 48 Cb 1.63 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2k0f h ILE 48 CO 0.19 0.16 0.01 -1.13 0.00 0.00 0.00 178.15 177.38 2k0f h ASN 49 N 0.79 0.00 -0.82 1.72 -1.24 0.82 0.17 115.58 117.02 2k0f h ASN 49 Ca 0.21 0.00 0.17 0.00 0.71 0.00 0.00 56.30 57.39 2k0f h ASN 49 Cb -0.05 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 38.89 2k0f h ASN 49 CO -0.04 0.00 0.34 -0.08 -1.29 0.00 0.00 177.43 176.36 2k0f h GLU 50 N 0.00 0.43 0.00 6.67 4.81 -0.94 -3.25 114.58 122.30 2k0f h GLU 50 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 50 Cb 0.02 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2k0f h GLU 50 CO 0.00 0.29 -1.25 0.28 -0.73 0.00 0.00 179.01 177.59 2k0f n VAL 51 N -5.01 0.06 -2.27 0.32 0.31 0.54 -5.00 118.33 107.28 2k0f n VAL 51 Ca 0.17 -0.21 -0.42 0.00 -0.01 0.00 0.00 64.34 63.87 2k0f n VAL 51 Cb 0.50 0.46 -0.03 0.00 -0.91 0.00 0.00 33.84 33.87 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k0f s ASP 52 N -3.70 6.90 0.00 4.52 -1.08 -0.88 -4.84 116.67 117.59 2k0f s ASP 52 Ca 0.03 2.09 0.24 0.00 -0.52 0.00 0.00 52.55 54.38 2k0f s ASP 52 Cb 0.15 -2.57 0.29 0.00 -1.46 0.00 0.00 42.92 39.33 2k0f s ASP 52 CO 0.85 -0.67 1.26 0.00 0.52 0.00 0.00 175.17 177.14 2k0f n ALA 53 N 5.01 3.73 -0.04 3.66 0.00 -1.26 -3.68 120.51 127.93 2k0f n ALA 53 Ca 0.12 -0.48 0.01 0.00 0.00 0.00 0.00 53.44 53.09 2k0f n ALA 53 Cb 0.44 -0.97 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k0f n ASP 54 N -0.98 1.28 0.00 0.00 8.00 -1.26 -4.99 116.55 118.60 2k0f n ASP 54 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2k0f n ASP 54 Cb 0.36 1.35 0.00 0.00 -0.02 0.00 0.00 41.12 42.82 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 55 N 1.80 1.01 0.05 0.44 0.00 -1.24 -5.01 105.19 102.24 2k0f n GLY 55 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 2k0f n GLY 55 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2k0f h ASN 56 N 0.00 0.00 0.00 1.61 -0.73 -1.94 -3.50 115.58 111.03 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 2k0f h ASN 56 CO 0.00 0.53 0.00 0.61 -0.37 0.00 0.00 177.43 178.20 2k0f n GLY 57 N 1.75 1.74 3.08 1.57 0.00 -1.26 -4.88 105.19 107.19 2k0f n GLY 57 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.03 -0.31 2.61 -4.23 -1.26 -4.58 115.64 105.84 2k0f s THR 58 Ca 0.00 0.11 -0.26 0.00 -1.18 0.00 0.00 61.69 60.36 2k0f s THR 58 Cb 0.00 -0.38 0.01 0.00 1.34 0.00 0.00 72.50 73.47 2k0f s THR 58 CO 0.00 0.04 0.93 -0.51 -0.54 0.00 0.00 174.62 174.55 2k0f s ILE 59 N 0.98 4.65 0.68 2.99 2.07 -0.91 -4.87 121.20 126.80 2k0f s ILE 59 Ca -0.07 1.45 0.01 0.00 -1.41 0.00 0.00 60.65 60.63 2k0f s ILE 59 Cb -0.08 -4.29 0.11 0.00 0.13 0.00 0.00 42.46 38.34 2k0f s ILE 59 CO -0.06 -0.37 0.95 -1.81 -1.91 0.00 0.00 174.94 171.73 2k0f s ASP 60 N 1.64 4.53 0.09 4.50 1.01 -1.26 0.31 116.67 127.49 2k0f s ASP 60 Ca 0.39 -0.39 -0.15 0.00 0.71 0.00 0.00 52.55 53.11 2k0f s ASP 60 Cb -0.13 -0.06 -0.11 0.00 1.01 0.00 0.00 42.92 43.63 2k0f s ASP 60 CO 0.14 -1.72 1.38 0.15 0.21 0.00 0.00 175.17 175.32 2k0f h PHE 61 N -0.38 0.86 0.00 4.23 3.57 -1.98 -1.93 116.94 121.32 2k0f h PHE 61 Ca -0.36 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 60.85 2k0f h PHE 61 Cb 1.27 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2k0f h PHE 61 CO -0.06 1.06 0.00 -0.35 -2.23 0.00 0.00 178.31 176.73 2k0f n PRO 62 N -4.21 0.86 -0.04 6.41 -0.04 -1.26 -1.46 135.00 135.25 2k0f n PRO 62 Ca -0.05 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.39 2k0f n PRO 62 Cb 0.52 -1.31 -0.01 0.00 -0.04 0.00 0.00 33.50 32.67 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 0.00 -0.61 0.54 5.08 -1.81 -3.26 114.58 114.52 2k0f h GLU 63 Ca 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 2k0f h GLU 63 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 2k0f h GLU 63 CO 0.00 0.00 -0.08 0.34 -1.00 0.00 0.00 179.01 178.27 2k0f n PHE 64 N -3.65 0.29 -0.09 4.33 7.35 -0.75 -1.23 117.46 123.71 2k0f n PHE 64 Ca -0.03 0.74 -0.14 0.00 -0.76 0.00 0.00 57.45 57.25 2k0f n PHE 64 Cb 0.13 -0.90 -0.03 0.00 0.35 0.00 0.00 39.48 39.03 2k0f n PHE 64 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2k0f h LEU 65 N 0.00 0.97 -1.41 -2.13 3.38 -1.44 -2.74 115.31 111.95 2k0f h LEU 65 Ca 0.33 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2k0f h LEU 65 Cb 0.59 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2k0f h LEU 65 CO -0.60 1.29 -0.25 0.74 0.09 0.00 0.00 178.44 179.71 2k0f h THR 66 N 0.70 0.78 0.00 0.22 2.02 -1.21 -1.37 112.91 114.06 2k0f h THR 66 Ca 0.03 -1.02 -0.04 0.00 0.77 0.00 0.00 66.41 66.16 2k0f h THR 66 Cb 1.08 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 2k0f h THR 66 CO 0.11 0.24 -0.19 -0.03 0.37 0.00 0.00 175.52 176.02 2k0f h MET 67 N 0.00 0.00 0.00 6.66 -1.53 -0.96 -3.01 114.93 116.09 2k0f h MET 67 Ca -0.00 0.00 -0.43 0.00 -3.44 0.00 0.00 59.70 55.83 2k0f h MET 67 Cb 0.61 0.00 -0.06 0.00 -0.55 0.00 0.00 31.60 31.59 2k0f h MET 67 CO 0.03 0.19 -2.43 -1.33 0.14 0.00 0.00 176.91 173.51 2k0f n MET 68 N -4.21 0.57 -0.01 0.39 2.00 -1.05 -4.72 117.12 110.10 2k0f n MET 68 Ca -0.02 0.25 -0.19 0.00 0.00 0.00 0.00 57.70 57.74 2k0f n MET 68 Cb 0.26 -1.46 -0.14 0.00 0.00 0.00 0.00 33.22 31.88 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0f n ALA 69 N -4.22 1.02 -1.99 3.04 0.00 -0.54 -4.82 120.51 113.00 2k0f n ALA 69 Ca -0.51 -0.65 -0.41 0.00 0.00 0.00 0.00 53.44 51.87 2k0f n ALA 69 Cb 0.86 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.56 4.45 0.05 0.00 3.52 -1.14 -5.04 118.95 118.22 2k0f s ARG 70 Ca -0.19 1.98 -0.18 0.00 -0.13 0.00 0.00 55.73 57.20 2k0f s ARG 70 Cb 0.07 -3.20 -0.06 0.00 -1.56 0.00 0.00 34.95 30.19 2k0f s ARG 70 CO 0.77 -0.15 0.51 0.21 -0.81 0.00 0.00 175.30 175.84 2k0f s LYS 71 N -0.40 4.11 0.00 5.12 2.20 -1.26 -4.84 119.74 124.67 2k0f s LYS 71 Ca 0.54 0.63 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 2k0f s LYS 71 Cb -0.35 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 2k0f s LYS 71 CO 0.39 0.66 0.00 -1.33 -0.36 0.00 0.00 175.35 174.71 2k0f n MET 72 N 1.76 0.80 -2.07 4.03 2.81 -1.26 -5.08 117.12 118.11 2k0f n MET 72 Ca -0.12 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.42 2k0f n MET 72 Cb 0.51 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 33.05 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 4.27 3.06 0.00 0.03 -2.85 -1.26 -4.94 119.74 118.05 2k0f s LYS 73 Ca 0.00 1.77 0.12 0.00 -1.00 0.00 0.00 55.97 56.86 2k0f s LYS 73 Cb 0.00 -1.95 0.38 0.00 -2.06 0.00 0.00 37.83 34.21 2k0f s LYS 73 CO 0.00 -1.12 1.30 -0.25 0.10 0.00 0.00 175.35 175.38 2k0f n ASP 74 N -1.53 1.64 -0.25 0.03 8.00 -1.26 -3.16 116.55 120.01 2k0f n ASP 74 Ca 0.13 -1.93 0.13 0.00 0.71 0.00 0.00 54.79 53.83 2k0f n ASP 74 Cb 0.50 -0.19 0.35 0.00 -0.02 0.00 0.00 41.12 41.76 2k0f n ASP 74 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2k0f n THR 75 N 0.37 0.00 0.25 -3.53 -2.24 -1.26 -4.27 114.28 103.60 2k0f n THR 75 Ca 0.12 -0.13 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 2k0f n THR 75 Cb 0.27 0.44 0.63 0.00 -2.10 0.00 0.00 70.33 69.58 2k0f n THR 75 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 76 N 1.21 0.00 -0.70 3.42 5.19 -1.95 -1.78 116.42 121.81 2k0f h ASP 76 Ca 0.00 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.58 2k0f h ASP 76 Cb 0.52 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.99 2k0f h ASP 76 CO 0.00 0.15 0.48 0.28 -3.12 0.00 0.00 179.24 177.04 2k0f h SER 77 N 0.00 0.18 0.23 6.45 0.02 -1.86 0.50 113.55 119.06 2k0f h SER 77 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k0f h SER 77 Cb 0.34 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2k0f h SER 77 CO 0.02 0.09 -0.58 -0.62 -1.14 0.00 0.00 176.83 174.59 2k0f n GLU 78 N -4.41 0.35 0.00 3.45 -0.58 -0.67 -4.24 120.64 114.54 2k0f n GLU 78 Ca 0.14 -0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2k0f n GLU 78 Cb 0.64 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 2k0f n GLU 78 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2k0f n GLU 79 N -1.11 0.00 -0.13 3.49 1.02 -0.77 -4.46 120.64 118.68 2k0f n GLU 79 Ca 0.07 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.12 2k0f n GLU 79 Cb 0.36 -0.25 -0.01 0.00 -0.02 0.00 0.00 31.44 31.51 2k0f n GLU 79 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2k0f h GLU 80 N 0.00 0.59 -0.35 3.49 5.08 -1.19 -1.60 114.58 120.59 2k0f h GLU 80 Ca 0.00 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2k0f h GLU 80 Cb 0.00 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2k0f h GLU 80 CO 0.00 0.54 -0.12 0.82 -1.00 0.00 0.00 179.01 179.25 2k0f h ILE 81 N 0.49 1.25 0.02 3.13 1.08 -1.74 0.24 117.51 121.99 2k0f h ILE 81 Ca 0.13 -1.10 -0.26 0.00 -0.39 0.00 0.00 64.86 63.24 2k0f h ILE 81 Cb 0.17 1.11 -0.03 0.00 -3.07 0.00 0.00 36.82 35.00 2k0f h ILE 81 CO -0.01 0.37 -1.35 0.03 -0.69 0.00 0.00 178.15 176.49 2k0f h ARG 82 N 0.57 0.05 -0.05 2.37 3.08 -1.65 -2.77 114.38 115.98 2k0f h ARG 82 Ca 0.10 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 2k0f h ARG 82 Cb 0.55 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2k0f h ARG 82 CO 0.03 0.85 -0.51 0.93 -1.07 0.00 0.00 179.97 180.20 2k0f h GLU 83 N 0.01 0.14 -0.57 0.04 4.39 -1.22 -2.67 114.58 114.71 2k0f h GLU 83 Ca -0.15 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.42 2k0f h GLU 83 Cb 1.90 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.53 2k0f h GLU 83 CO 0.12 0.62 0.17 0.00 -1.16 0.00 0.00 179.01 178.76 2k0f h ALA 84 N 1.37 1.24 -0.65 3.43 0.00 -0.96 -2.57 119.26 121.13 2k0f h ALA 84 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2k0f h ALA 84 Cb 0.94 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2k0f h ALA 84 CO 0.07 0.54 0.37 0.35 0.00 0.00 0.00 179.25 180.58 2k0f h PHE 85 N 0.83 0.68 0.00 0.00 3.04 -1.17 -2.43 116.94 117.89 2k0f h PHE 85 Ca 0.19 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.16 2k0f h PHE 85 Cb 0.24 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.54 2k0f h PHE 85 CO 0.02 0.34 0.00 0.54 -2.02 0.00 0.00 178.31 177.19 2k0f n ARG 86 N -4.77 0.02 0.03 1.11 1.74 -0.98 -1.64 116.66 112.17 2k0f n ARG 86 Ca 0.08 0.32 -0.19 0.00 -0.77 0.00 0.00 57.85 57.28 2k0f n ARG 86 Cb 0.15 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.98 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k0f h VAL 87 N 0.00 1.34 0.41 1.55 2.07 -1.35 -3.36 116.25 116.92 2k0f h VAL 87 Ca 0.00 -2.20 -0.02 0.00 0.82 0.00 0.00 66.70 65.30 2k0f h VAL 87 Cb 0.15 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2k0f h VAL 87 CO 0.00 0.66 -0.20 -0.26 0.02 0.00 0.00 177.57 177.80 2k0f h PHE 88 N 0.17 -0.51 -3.48 1.57 -1.00 -1.49 -3.44 116.94 108.76 2k0f h PHE 88 Ca -0.11 -0.01 -0.56 0.00 2.81 0.00 0.00 57.97 60.09 2k0f h PHE 88 Cb 1.55 0.17 -0.06 0.00 3.61 0.00 0.00 35.95 41.22 2k0f h PHE 88 CO 0.12 -0.31 1.01 0.34 -1.61 0.00 0.00 178.31 177.86 2k0f s ASP 89 N -4.38 6.46 -0.19 2.17 2.15 -0.65 -4.79 116.67 117.44 2k0f s ASP 89 Ca -0.08 0.65 -0.24 0.00 0.43 0.00 0.00 52.55 53.32 2k0f s ASP 89 Cb 0.01 -2.54 -0.21 0.00 -0.30 0.00 0.00 42.92 39.87 2k0f s ASP 89 CO 0.24 -1.36 0.38 0.50 -0.17 0.00 0.00 175.17 174.76 2k0f h LYS 90 N 10.05 0.00 0.00 4.34 1.63 -1.86 -3.34 116.57 127.40 2k0f h LYS 90 Ca -0.25 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.55 2k0f h LYS 90 Cb 1.08 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.71 2k0f h LYS 90 CO 1.11 0.99 -0.00 0.38 -3.45 0.00 0.00 179.45 178.48 2k0f h ASP 91 N -1.00 0.00 0.00 4.20 2.03 -1.96 -3.48 116.42 116.22 2k0f h ASP 91 Ca -0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.06 2k0f h ASP 91 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 2k0f h ASP 91 CO -0.15 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.68 2k0f n GLY 92 N 0.84 0.63 0.00 7.15 0.00 -1.25 -4.96 105.19 107.60 2k0f n GLY 92 Ca 0.03 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.52 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 1.11 0.00 0.00 1.61 6.94 -1.26 -4.92 115.26 118.74 2k0f n ASN 93 Ca 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 54.58 54.81 2k0f n ASN 93 Cb 0.00 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.04 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 0.07 0.76 2.81 4.83 0.00 -1.26 -5.07 105.19 107.33 2k0f n GLY 94 Ca 0.06 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 1.08 -0.26 1.61 2.02 -1.26 -4.27 117.35 114.27 2k0f s TYR 95 Ca 0.00 -0.60 -0.29 0.00 -0.37 0.00 0.00 57.07 55.81 2k0f s TYR 95 Cb 0.00 -1.02 0.01 0.00 -0.40 0.00 0.00 41.96 40.55 2k0f s TYR 95 CO 0.00 -0.48 1.07 0.42 -1.57 0.00 0.00 175.55 174.99 2k0f s ILE 96 N 1.84 4.58 0.63 2.71 1.01 -0.02 -4.89 121.20 127.06 2k0f s ILE 96 Ca 0.03 1.87 -0.02 0.00 0.00 0.00 0.00 60.65 62.53 2k0f s ILE 96 Cb -0.14 -4.34 0.05 0.00 0.01 0.00 0.00 42.46 38.05 2k0f s ILE 96 CO -0.07 -0.31 0.89 -0.55 0.00 0.00 0.00 174.94 174.91 2k0f s SER 97 N 1.46 5.02 0.30 3.58 0.15 -1.26 -1.23 113.70 121.71 2k0f s SER 97 Ca 0.45 0.18 0.03 0.00 0.70 0.00 0.00 55.95 57.31 2k0f s SER 97 Cb -0.14 -0.93 0.47 0.00 -1.71 0.00 0.00 66.02 63.71 2k0f s SER 97 CO 0.11 -1.38 1.79 0.00 1.20 0.00 0.00 173.24 174.95 2k0f h ALA 98 N -0.26 1.21 -0.29 5.45 0.00 -1.96 -1.93 119.26 121.47 2k0f h ALA 98 Ca -0.43 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.04 2k0f h ALA 98 Cb 1.30 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2k0f h ALA 98 CO 0.55 0.51 -0.48 0.00 0.00 0.00 0.00 179.25 179.84 2k0f h ALA 99 N 1.38 0.61 -0.45 0.00 0.00 -1.98 -1.83 119.26 116.99 2k0f h ALA 99 Ca 0.09 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.52 2k0f h ALA 99 Cb 0.50 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2k0f h ALA 99 CO 0.03 0.68 0.30 0.93 0.00 0.00 0.00 179.25 181.18 2k0f h GLU 100 N 0.61 0.59 -0.05 0.00 5.08 -1.80 0.35 114.58 119.36 2k0f h GLU 100 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 100 Cb 1.05 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 2k0f h GLU 100 CO 0.10 0.39 0.02 1.25 -1.00 0.00 0.00 179.01 179.77 2k0f h LEU 101 N 0.60 0.02 -0.47 1.33 5.85 -1.33 -2.28 115.31 119.03 2k0f h LEU 101 Ca 0.17 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.74 2k0f h LEU 101 Cb -0.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2k0f h LEU 101 CO -0.04 0.02 -0.39 -0.09 -0.34 0.00 0.00 178.44 177.60 2k0f h ARG 102 N 0.04 0.85 -0.49 1.25 2.43 -0.98 -2.86 114.38 114.61 2k0f h ARG 102 Ca 0.02 -0.44 -0.10 0.00 -0.81 0.00 0.00 59.98 58.65 2k0f h ARG 102 Cb 0.01 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2k0f h ARG 102 CO -0.02 1.08 -0.07 1.25 -1.51 0.00 0.00 179.97 180.70 2k0f h HIS 103 N 0.69 1.03 -0.20 2.20 2.76 -0.04 0.62 115.15 122.21 2k0f h HIS 103 Ca 0.06 -0.21 -0.10 0.00 -2.20 0.00 0.00 60.37 57.92 2k0f h HIS 103 Cb 0.96 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.66 2k0f h HIS 103 CO 0.06 0.98 -0.26 -0.24 -1.30 0.00 0.00 177.93 177.16 2k0f h VAL 104 N 0.78 1.33 0.07 5.26 3.04 -1.41 -0.48 116.25 124.84 2k0f h VAL 104 Ca 0.13 -1.46 -0.26 0.00 -1.01 0.00 0.00 66.70 64.10 2k0f h VAL 104 Cb 0.62 1.81 0.01 0.00 -2.01 0.00 0.00 31.29 31.71 2k0f h VAL 104 CO 0.04 0.45 -1.11 0.24 -1.01 0.00 0.00 177.57 176.17 2k0f h MET 105 N 0.20 0.43 -0.70 4.17 2.07 -1.47 0.34 114.93 119.97 2k0f h MET 105 Ca 0.02 -0.55 0.15 0.00 -2.07 0.00 0.00 59.70 57.25 2k0f h MET 105 Cb 0.83 0.18 -0.11 0.00 -1.87 0.00 0.00 31.60 30.63 2k0f h MET 105 CO 0.06 1.21 0.15 1.15 1.07 0.00 0.00 176.91 180.55 2k0f h THR 106 N 0.20 0.53 0.20 2.22 2.02 -0.87 0.16 112.91 117.37 2k0f h THR 106 Ca -0.13 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2k0f h THR 106 Cb 1.79 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2k0f h THR 106 CO 0.20 0.05 -0.10 -1.13 0.37 0.00 0.00 175.52 174.90 2k0f h ASN 107 N 0.25 -0.23 -0.94 4.18 -1.24 -0.60 -3.23 115.58 113.76 2k0f h ASN 107 Ca 0.39 -0.18 0.05 0.00 0.71 0.00 0.00 56.30 57.26 2k0f h ASN 107 Cb 0.64 0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.69 2k0f h ASN 107 CO -0.50 0.06 0.61 -0.07 -1.29 0.00 0.00 177.43 176.24 2k0f h LEU 108 N -0.53 1.00 0.00 0.34 3.38 -0.70 -3.45 115.31 115.34 2k0f h LEU 108 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k0f h LEU 108 Cb 0.40 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2k0f h LEU 108 CO 0.05 0.66 0.00 0.61 0.09 0.00 0.00 178.44 179.85 2k0f n GLY 109 N -1.35 -0.02 3.97 0.83 0.00 -0.24 -4.97 105.19 103.40 2k0f n GLY 109 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 3.06 -0.70 1.61 0.41 0.41 -4.99 118.70 118.50 2k0f s GLU 110 Ca 0.00 -0.70 0.05 0.00 -0.41 0.00 0.00 54.97 53.91 2k0f s GLU 110 Cb 0.00 -2.66 0.19 0.00 -1.78 0.00 0.00 34.13 29.89 2k0f s GLU 110 CO 0.00 -0.16 0.58 1.63 -0.49 0.00 0.00 175.26 176.81 2k0f n LYS 111 N -1.92 2.06 -2.86 1.61 4.01 -1.26 -4.38 118.16 115.41 2k0f n LYS 111 Ca 0.01 -4.54 -0.41 0.00 -0.51 0.00 0.00 58.31 52.86 2k0f n LYS 111 Cb 0.58 -2.29 -0.04 0.00 -0.51 0.00 0.00 35.03 32.77 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2k0f s LEU 112 N -1.74 4.31 0.59 -0.35 1.43 -1.26 -5.08 118.68 116.58 2k0f s LEU 112 Ca 0.29 1.40 -0.04 0.00 -1.03 0.00 0.00 54.13 54.75 2k0f s LEU 112 Cb 0.01 -3.33 0.02 0.00 0.03 0.00 0.00 46.19 42.92 2k0f s LEU 112 CO -0.13 -0.24 0.87 0.42 0.23 0.00 0.00 176.35 177.50 2k0f s THR 113 N 1.19 3.24 -0.41 5.49 -4.23 -1.26 -4.97 115.64 114.69 2k0f s THR 113 Ca 0.44 -0.25 0.25 0.00 -1.18 0.00 0.00 61.69 60.95 2k0f s THR 113 Cb -0.19 -3.28 0.34 0.00 1.34 0.00 0.00 72.50 70.71 2k0f s THR 113 CO 0.21 -0.26 1.71 0.44 -0.54 0.00 0.00 174.62 176.17 2k0f h ASP 114 N -0.13 0.00 -0.73 3.99 5.19 -1.98 0.84 116.42 123.59 2k0f h ASP 114 Ca -0.45 0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.05 2k0f h ASP 114 Cb 1.28 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.72 2k0f h ASP 114 CO 0.59 0.00 0.39 -0.33 -3.12 0.00 0.00 179.24 176.76 2k0f h GLU 115 N 0.00 0.64 0.02 3.56 5.08 -1.99 -2.27 114.58 119.62 2k0f h GLU 115 Ca 0.00 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.11 2k0f h GLU 115 Cb 0.84 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2k0f h GLU 115 CO 0.00 0.43 -0.94 0.93 -1.00 0.00 0.00 179.01 178.43 2k0f h GLU 116 N 0.66 0.21 -0.16 2.33 5.08 -1.26 -2.39 114.58 119.05 2k0f h GLU 116 Ca 0.35 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2k0f h GLU 116 Cb 0.34 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2k0f h GLU 116 CO -0.25 1.00 0.08 0.28 -1.00 0.00 0.00 179.01 179.13 2k0f h VAL 117 N 0.11 1.12 -0.64 3.13 2.07 -1.28 -2.26 116.25 118.49 2k0f h VAL 117 Ca -0.06 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 2k0f h VAL 117 Cb 1.59 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 2k0f h VAL 117 CO 0.14 0.11 0.14 -0.78 0.02 0.00 0.00 177.57 177.20 2k0f h ASP 118 N 0.15 0.99 -0.45 0.57 3.58 -1.41 -1.20 116.42 118.65 2k0f h ASP 118 Ca 0.06 -0.24 0.04 0.00 0.42 0.00 0.00 57.03 57.30 2k0f h ASP 118 Cb 0.10 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.85 2k0f h ASP 118 CO -0.01 0.98 0.23 -0.08 -2.88 0.00 0.00 179.24 177.48 2k0f h GLU 119 N 0.96 0.44 0.54 0.28 4.81 -1.19 0.64 114.58 121.07 2k0f h GLU 119 Ca 0.20 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2k0f h GLU 119 Cb 0.38 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.67 2k0f h GLU 119 CO 0.01 0.29 -0.26 0.52 -0.73 0.00 0.00 179.01 178.84 2k0f h MET 120 N 0.45 -0.69 -0.69 1.92 2.86 -1.45 -1.57 114.93 115.76 2k0f h MET 120 Ca 0.19 0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.90 2k0f h MET 120 Cb 0.10 0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 2k0f h MET 120 CO -0.14 -0.39 0.46 0.82 1.06 0.00 0.00 176.91 178.72 2k0f h ILE 121 N -0.95 1.14 -0.57 -1.22 2.04 -1.18 -1.69 117.51 115.08 2k0f h ILE 121 Ca -0.07 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 2k0f h ILE 121 Cb 0.62 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2k0f h ILE 121 CO 0.12 0.16 0.20 -0.09 0.00 0.00 0.00 178.15 178.54 2k0f h ARG 122 N 0.90 0.88 -0.79 2.37 2.43 -0.87 -2.40 114.38 116.90 2k0f h ARG 122 Ca 0.26 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2k0f h ARG 122 Cb -0.03 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 2k0f h ARG 122 CO -0.07 0.78 0.49 1.49 -1.51 0.00 0.00 179.97 181.15 2k0f h GLU 123 N 0.80 1.06 0.05 0.20 4.81 -0.98 -3.32 114.58 117.19 2k0f h GLU 123 Ca 0.19 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 123 Cb 0.26 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 29.42 2k0f h GLU 123 CO -0.01 0.73 -0.38 0.00 -0.73 0.00 0.00 179.01 178.62 2k0f h ALA 124 N 1.46 -0.02 -2.68 2.92 0.00 -1.17 -3.47 119.26 116.30 2k0f h ALA 124 Ca 0.28 -0.56 -0.56 0.00 0.00 0.00 0.00 54.91 54.08 2k0f h ALA 124 Cb -0.06 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2k0f h ALA 124 CO -0.06 0.17 0.10 0.34 0.00 0.00 0.00 179.25 179.80 2k0f s ASP 125 N -6.53 7.02 -0.15 0.00 2.15 -0.92 -4.84 116.67 113.42 2k0f s ASP 125 Ca -0.16 1.23 0.00 0.00 0.43 0.00 0.00 52.55 54.05 2k0f s ASP 125 Cb -0.00 -2.42 -0.23 0.00 -0.30 0.00 0.00 42.92 39.96 2k0f s ASP 125 CO 0.76 -0.10 0.25 -0.38 -0.17 0.00 0.00 175.17 175.54 2k0f n ILE 126 N 3.63 1.66 -0.03 4.11 5.41 -1.26 -4.35 119.36 128.53 2k0f n ILE 126 Ca -0.01 -0.67 -0.16 0.00 1.00 0.00 0.00 62.75 62.90 2k0f n ILE 126 Cb 0.51 -1.46 -0.05 0.00 -0.71 0.00 0.00 39.64 37.92 2k0f n ILE 126 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2k0f h ASP 127 N 0.04 0.92 -0.17 4.38 3.32 -1.95 -3.48 116.42 119.47 2k0f h ASP 127 Ca -0.45 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.03 2k0f h ASP 127 Cb 2.02 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 41.30 2k0f h ASP 127 CO 0.04 1.37 0.00 0.61 -1.72 0.00 0.00 179.24 179.54 2k0f n GLY 128 N 0.59 1.13 0.11 2.75 0.00 -1.26 -5.02 105.19 103.49 2k0f n GLY 128 Ca -0.06 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 0.35 2.44 0.00 1.61 5.75 -1.26 -5.02 116.55 120.42 2k0f n ASP 129 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 2k0f n ASP 129 Cb 0.11 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 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 2.53 1.13 3.36 6.12 0.00 -1.26 -5.09 105.19 111.98 2k0f n GLY 130 Ca -0.35 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.05 3.36 -0.29 1.61 -0.21 -1.26 -4.51 119.66 118.31 2k0f s GLN 131 Ca 0.00 -0.70 -0.12 0.00 0.02 0.00 0.00 55.36 54.56 2k0f s GLN 131 Cb 0.00 -2.62 -0.04 0.00 1.00 0.00 0.00 33.01 31.35 2k0f s GLN 131 CO 0.00 0.20 0.24 0.08 -2.12 0.00 0.00 175.29 173.69 2k0f s VAL 132 N 0.37 5.28 0.62 1.09 1.01 -0.37 -4.86 120.40 123.55 2k0f s VAL 132 Ca -0.11 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2k0f s VAL 132 Cb -0.16 -3.61 0.12 0.00 0.00 0.00 0.00 36.38 32.74 2k0f s VAL 132 CO 0.06 0.16 0.85 -0.46 0.00 0.00 0.00 175.10 175.71 2k0f n ASN 133 N 5.13 1.19 -0.17 3.32 0.23 -1.26 -0.84 115.26 122.85 2k0f n ASN 133 Ca -0.13 -1.99 -0.10 0.00 -0.53 0.00 0.00 54.58 51.84 2k0f n ASN 133 Cb 0.51 -0.55 0.01 0.00 -2.08 0.00 0.00 39.78 37.67 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N -0.55 0.95 -0.57 -2.53 3.20 -1.97 -0.98 116.97 114.52 2k0f h TYR 134 Ca -0.28 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2k0f h TYR 134 Cb 1.05 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 2k0f h TYR 134 CO 0.00 0.89 0.37 0.93 -1.64 0.00 0.00 178.16 178.71 2k0f h GLU 135 N 0.74 0.76 0.00 1.82 5.08 -1.96 -1.50 114.58 119.52 2k0f h GLU 135 Ca 0.14 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 2k0f h GLU 135 Cb 0.50 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 135 CO 0.02 0.51 -0.53 0.93 -1.00 0.00 0.00 179.01 178.94 2k0f h GLU 136 N 0.78 0.00 -0.05 2.33 5.08 -1.89 -3.21 114.58 117.63 2k0f h GLU 136 Ca 0.21 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 2k0f h GLU 136 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2k0f h GLU 136 CO -0.04 0.27 -0.32 0.35 -1.00 0.00 0.00 179.01 178.26 2k0f h PHE 137 N 0.00 0.42 -0.60 4.33 3.57 -0.55 -3.36 116.94 120.74 2k0f h PHE 137 Ca -0.02 -0.19 -0.04 0.00 3.53 0.00 0.00 57.97 61.24 2k0f h PHE 137 Cb 1.25 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.90 2k0f h PHE 137 CO 0.00 0.94 0.20 0.28 -2.23 0.00 0.00 178.31 177.50 2k0f h VAL 138 N -0.22 1.23 -0.70 1.41 2.07 -1.32 -3.18 116.25 115.53 2k0f h VAL 138 Ca -0.03 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2k0f h VAL 138 Cb 0.99 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2k0f h VAL 138 CO 0.07 0.29 0.40 1.56 0.02 0.00 0.00 177.57 179.91 2k0f h GLN 139 N 0.88 0.97 -0.12 1.57 1.08 -1.70 1.00 115.11 118.78 2k0f h GLN 139 Ca 0.20 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 57.23 2k0f h GLN 139 Cb 0.23 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2k0f h GLN 139 CO -0.01 0.70 -0.25 0.52 -0.95 0.00 0.00 178.83 178.83 2k0f h MET 140 N 0.98 0.21 0.00 1.46 2.86 -1.69 -3.12 114.93 115.62 2k0f h MET 140 Ca 0.25 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2k0f h MET 140 Cb 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2k0f h MET 140 CO -0.04 0.46 -0.53 0.52 1.06 0.00 0.00 176.91 178.37 2k0f h MET 141 N 0.19 0.00 -0.01 1.72 2.86 -0.90 -3.53 114.93 115.25 2k0f h MET 141 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2k0f h MET 141 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2k0f h MET 141 CO 0.04 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.26