#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 0.73 -0.89 -0.78 4.81 -2.05 -1.76 114.58 114.63 2k0f h GLU 2 Ca 0.00 -0.21 0.12 0.00 -0.13 0.00 0.00 59.36 59.14 2k0f h GLU 2 Cb 0.00 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.22 2k0f h GLU 2 CO 0.00 0.78 0.52 1.05 -0.73 0.00 0.00 179.01 180.63 2k0f h GLU 3 N 0.58 0.79 0.00 1.92 4.11 -2.05 -1.49 114.58 118.43 2k0f h GLU 3 Ca 0.13 -0.05 -0.12 0.00 0.07 0.00 0.00 59.36 59.39 2k0f h GLU 3 Cb 0.42 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2k0f h GLU 3 CO 0.01 0.52 -0.56 0.37 0.07 0.00 0.00 179.01 179.43 2k0f h GLN 4 N 0.81 0.00 0.06 1.06 4.15 -1.89 -0.18 115.11 119.12 2k0f h GLN 4 Ca 0.45 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.87 2k0f h GLN 4 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2k0f h GLN 4 CO -0.29 0.56 -0.03 0.82 -1.93 0.00 0.00 178.83 177.96 2k0f h ILE 5 N 0.00 1.10 -0.47 2.39 2.04 -1.15 -1.61 117.51 119.81 2k0f h ILE 5 Ca -0.01 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.44 2k0f h ILE 5 Cb 1.43 1.43 -0.08 0.00 -0.74 0.00 0.00 36.82 38.86 2k0f h ILE 5 CO 0.07 0.13 0.01 0.00 0.00 0.00 0.00 178.15 178.36 2k0f h ALA 6 N 0.63 0.45 -0.38 1.87 0.00 -0.97 0.37 119.26 121.23 2k0f h ALA 6 Ca -0.01 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2k0f h ALA 6 Cb 0.27 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2k0f h ALA 6 CO 0.01 -0.38 0.12 1.49 0.00 0.00 0.00 179.25 180.50 2k0f h GLU 7 N 0.12 0.27 -0.04 0.00 4.81 -1.09 -2.91 114.58 115.74 2k0f h GLU 7 Ca 0.24 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 2k0f h GLU 7 Cb 0.35 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2k0f h GLU 7 CO -0.38 0.18 -0.51 0.35 -0.73 0.00 0.00 179.01 177.92 2k0f h PHE 8 N 0.27 0.12 -0.75 0.92 3.57 -0.15 -2.77 116.94 118.16 2k0f h PHE 8 Ca 0.17 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 2k0f h PHE 8 Cb 0.16 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 2k0f h PHE 8 CO -0.15 0.58 0.45 -0.22 -2.23 0.00 0.00 178.31 176.74 2k0f h LYS 9 N 0.08 1.01 -0.80 1.11 3.64 -0.38 -0.69 116.57 120.54 2k0f h LYS 9 Ca 0.00 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2k0f h LYS 9 Cb 0.92 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.49 2k0f h LYS 9 CO 0.07 0.71 0.44 0.93 -2.27 0.00 0.00 179.45 179.34 2k0f h GLU 10 N 1.02 1.11 -0.14 1.90 4.39 -1.29 0.26 114.58 121.83 2k0f h GLU 10 Ca 0.27 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 59.88 2k0f h GLU 10 Cb -0.04 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.35 2k0f h GLU 10 CO -0.05 0.81 -0.10 0.00 -1.16 0.00 0.00 179.01 178.51 2k0f h ALA 11 N 1.23 0.01 -0.29 3.43 0.00 -1.37 -2.71 119.26 119.58 2k0f h ALA 11 Ca 0.28 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.30 2k0f h ALA 11 Cb 0.02 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2k0f h ALA 11 CO -0.05 -0.55 -0.04 0.35 0.00 0.00 0.00 179.25 178.97 2k0f h PHE 12 N -0.11 -0.09 0.00 0.00 3.57 -0.52 -3.02 116.94 116.77 2k0f h PHE 12 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2k0f h PHE 12 Cb 0.24 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 2k0f h PHE 12 CO -0.23 -0.09 -0.07 0.77 -2.23 0.00 0.00 178.31 176.46 2k0f h SER 13 N 0.04 0.00 -0.72 0.41 0.02 -0.43 -1.64 113.55 111.23 2k0f h SER 13 Ca 0.14 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2k0f h SER 13 Cb 0.20 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 2k0f h SER 13 CO -0.27 0.07 0.48 0.25 -1.14 0.00 0.00 176.83 176.22 2k0f h LEU 14 N 0.00 0.79 0.00 5.07 5.85 -1.34 -3.29 115.31 122.38 2k0f h LEU 14 Ca -0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2k0f h LEU 14 Cb 0.13 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 2k0f h LEU 14 CO 0.01 0.56 -0.07 -0.26 -0.34 0.00 0.00 178.44 178.34 2k0f h PHE 15 N 0.92 0.00 -2.05 1.25 0.04 -1.40 -3.45 116.94 112.26 2k0f h PHE 15 Ca 0.28 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.53 2k0f h PHE 15 Cb -0.02 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 2k0f h PHE 15 CO -0.00 0.29 1.41 0.34 -0.60 0.00 0.00 178.31 179.75 2k0f s ASP 16 N -5.76 5.22 0.17 2.17 2.15 -0.91 -4.60 116.67 115.10 2k0f s ASP 16 Ca -0.06 0.80 0.26 0.00 0.43 0.00 0.00 52.55 53.98 2k0f s ASP 16 Cb -0.00 -2.52 0.78 0.00 -0.30 0.00 0.00 42.92 40.88 2k0f s ASP 16 CO 0.20 -2.33 1.72 0.29 -0.17 0.00 0.00 175.17 174.88 2k0f n LYS 17 N 8.96 0.23 0.00 4.34 4.76 -1.26 -3.57 118.16 131.62 2k0f n LYS 17 Ca 0.25 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 2k0f n LYS 17 Cb 0.51 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k0f n ASP 18 N -2.14 0.00 0.00 4.39 8.00 -1.26 -5.03 116.55 120.51 2k0f n ASP 18 Ca 0.05 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.05 2k0f n ASP 18 Cb 0.42 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 0.70 1.72 0.09 0.44 0.00 -1.23 -5.04 105.19 101.87 2k0f n GLY 19 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.01 0.00 1.61 5.75 -1.26 -4.99 116.55 117.67 2k0f n ASP 20 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 2k0f n ASP 20 Cb 0.00 1.06 0.00 0.00 -1.03 0.00 0.00 41.12 41.15 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 1.71 0.62 3.06 6.12 0.00 -1.26 -5.10 105.19 110.34 2k0f n GLY 21 Ca -0.31 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.66 1.41 -0.32 2.61 2.01 -1.26 -2.05 115.64 117.37 2k0f s THR 22 Ca 0.00 -0.61 -0.14 0.00 0.31 0.00 0.00 61.69 61.25 2k0f s THR 22 Cb 0.00 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 2k0f s THR 22 CO 0.00 0.42 0.29 -0.63 -0.69 0.00 0.00 174.62 174.01 2k0f s ILE 23 N 0.78 5.24 0.70 1.82 1.01 -0.50 -4.76 121.20 125.48 2k0f s ILE 23 Ca -0.12 0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 2k0f s ILE 23 Cb -0.16 -3.72 0.03 0.00 0.01 0.00 0.00 42.46 38.62 2k0f s ILE 23 CO 0.02 0.02 1.06 0.42 0.00 0.00 0.00 174.94 176.46 2k0f s THR 24 N 1.86 3.15 0.27 2.92 -4.23 -1.26 -2.51 115.64 115.85 2k0f s THR 24 Ca 0.09 0.21 -0.00 0.00 -1.18 0.00 0.00 61.69 60.81 2k0f s THR 24 Cb -0.17 -3.34 0.27 0.00 1.34 0.00 0.00 72.50 70.60 2k0f s THR 24 CO 0.11 -0.42 1.85 0.74 -0.54 0.00 0.00 174.62 176.36 2k0f h THR 25 N -0.61 0.97 -0.10 3.99 2.02 -1.98 0.27 112.91 117.47 2k0f h THR 25 Ca -0.45 -0.36 -0.15 0.00 0.77 0.00 0.00 66.41 66.22 2k0f h THR 25 Cb 1.27 -0.15 0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2k0f h THR 25 CO 0.63 0.19 -0.54 0.11 0.37 0.00 0.00 175.52 176.28 2k0f h LYS 26 N 1.04 0.54 0.20 6.66 1.79 -1.99 -2.38 116.57 122.43 2k0f h LYS 26 Ca 0.47 -0.45 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2k0f h LYS 26 Cb 0.37 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 2k0f h LYS 26 CO -0.23 1.08 -0.29 0.93 -1.08 0.00 0.00 179.45 179.85 2k0f h GLU 27 N 0.15 -0.49 -0.44 3.15 5.08 -1.79 -2.23 114.58 118.01 2k0f h GLU 27 Ca -0.04 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2k0f h GLU 27 Cb 1.18 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 2k0f h GLU 27 CO 0.11 -0.33 0.10 1.25 -1.00 0.00 0.00 179.01 179.14 2k0f h LEU 28 N -0.51 0.04 -0.50 1.33 5.85 -0.61 -2.46 115.31 118.46 2k0f h LEU 28 Ca -0.02 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.81 2k0f h LEU 28 Cb 0.47 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 2k0f h LEU 28 CO -0.09 0.06 -0.29 0.61 -0.34 0.00 0.00 178.44 178.39 2k0f n GLY 29 N -1.26 -2.75 0.30 3.75 0.00 -0.90 -1.75 105.19 102.58 2k0f n GLY 29 Ca 0.04 0.87 -0.01 0.00 0.00 0.00 0.00 46.02 46.91 2k0f n GLY 29 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k0f h THR 30 N 0.00 1.06 0.50 2.61 2.02 -0.95 -1.29 112.91 116.86 2k0f h THR 30 Ca 0.08 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2k0f h THR 30 Cb 0.20 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 2k0f h THR 30 CO -0.47 0.17 -0.38 0.58 0.37 0.00 0.00 175.52 175.79 2k0f h VAL 31 N 0.93 0.23 -0.94 3.16 2.07 -1.40 -1.75 116.25 118.54 2k0f h VAL 31 Ca 0.34 0.00 0.26 0.00 0.82 0.00 0.00 66.70 68.12 2k0f h VAL 31 Cb 0.11 0.23 -0.14 0.00 -1.52 0.00 0.00 31.29 29.97 2k0f h VAL 31 CO -0.15 0.00 0.42 0.24 0.02 0.00 0.00 177.57 178.10 2k0f h MET 32 N -0.86 0.33 0.02 1.57 2.86 -0.77 -0.35 114.93 117.73 2k0f h MET 32 Ca -0.05 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2k0f h MET 32 Cb 0.73 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2k0f h MET 32 CO 0.01 0.22 -0.01 0.00 1.06 0.00 0.00 176.91 178.19 2k0f h ARG 33 N 0.34 -0.03 -0.97 1.72 3.08 -1.07 -0.63 114.38 116.82 2k0f h ARG 33 Ca 0.62 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.78 2k0f h ARG 33 Cb 1.28 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.26 2k0f h ARG 33 CO -0.59 0.67 0.62 0.77 -1.07 0.00 0.00 179.97 180.37 2k0f h SER 34 N -0.78 0.90 0.57 7.04 0.02 -1.25 -2.59 113.55 117.46 2k0f h SER 34 Ca -0.00 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2k0f h SER 34 Cb 0.71 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.10 2k0f h SER 34 CO 0.00 0.51 -0.27 0.25 -1.14 0.00 0.00 176.83 176.18 2k0f h LEU 35 N 0.98 -0.65 0.00 5.07 5.85 -1.12 -3.43 115.31 122.02 2k0f h LEU 35 Ca 0.46 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.21 2k0f h LEU 35 Cb 0.43 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2k0f h LEU 35 CO -0.22 -0.38 0.00 0.61 -0.34 0.00 0.00 178.44 178.10 2k0f n GLY 36 N -0.74 -1.50 3.57 3.75 0.00 -0.43 -4.87 105.19 104.97 2k0f n GLY 36 Ca -0.09 0.43 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 2k0f n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 37 N 0.00 0.93 -0.66 1.61 -2.07 -0.38 -4.97 119.66 114.12 2k0f s GLN 37 Ca 0.00 0.56 0.01 0.00 -1.82 0.00 0.00 55.36 54.11 2k0f s GLN 37 Cb 0.00 0.44 0.17 0.00 -1.09 0.00 0.00 33.01 32.53 2k0f s GLN 37 CO 0.00 -0.22 0.47 -0.80 -1.32 0.00 0.00 175.29 173.41 2k0f s ASN 38 N -0.50 5.04 0.68 12.60 -0.87 -1.26 -2.76 114.94 127.86 2k0f s ASN 38 Ca -0.06 -3.27 -0.13 0.00 -1.57 0.00 0.00 52.86 47.83 2k0f s ASN 38 Cb -0.02 -1.76 0.01 0.00 -0.02 0.00 0.00 41.25 39.46 2k0f s ASN 38 CO 0.05 -0.24 1.08 -2.16 -2.57 0.00 0.00 177.10 173.27 2k0f s PRO 39 N -0.66 2.81 0.73 -0.60 0.04 -1.26 -5.06 135.00 131.00 2k0f s PRO 39 Ca 0.21 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 2k0f s PRO 39 Cb -0.16 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.45 2k0f s PRO 39 CO -0.07 -1.21 1.10 0.95 0.04 0.00 0.00 177.00 177.81 2k0f s THR 40 N -2.72 3.04 -0.28 1.26 -4.23 -1.26 -4.94 115.64 106.52 2k0f s THR 40 Ca 0.62 0.28 0.23 0.00 -1.18 0.00 0.00 61.69 61.64 2k0f s THR 40 Cb -0.17 -3.32 0.28 0.00 1.34 0.00 0.00 72.50 70.63 2k0f s THR 40 CO 0.48 -0.42 1.63 -0.33 -0.54 0.00 0.00 174.62 175.44 2k0f h GLU 41 N -0.72 0.00 -0.26 3.99 5.08 -1.97 -1.35 114.58 119.35 2k0f h GLU 41 Ca -0.45 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.74 2k0f h GLU 41 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2k0f h GLU 41 CO 0.64 0.12 -0.49 0.00 -1.00 0.00 0.00 179.01 178.29 2k0f h ALA 42 N 1.88 0.41 0.17 3.43 0.00 -1.98 -2.27 119.26 120.88 2k0f h ALA 42 Ca -0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 54.91 54.11 2k0f h ALA 42 Cb 1.01 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.75 2k0f h ALA 42 CO 0.02 0.58 -1.45 1.49 0.00 0.00 0.00 179.25 179.88 2k0f h GLU 43 N 0.53 0.35 -0.15 0.00 4.81 -1.94 -3.17 114.58 115.01 2k0f h GLU 43 Ca 0.01 -0.60 -0.04 0.00 -0.13 0.00 0.00 59.36 58.60 2k0f h GLU 43 Cb 1.09 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 2k0f h GLU 43 CO 0.11 1.26 -0.07 1.25 -0.73 0.00 0.00 179.01 180.82 2k0f h LEU 44 N 0.10 0.32 -1.76 1.64 5.85 -1.36 -1.94 115.31 118.16 2k0f h LEU 44 Ca -0.22 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.12 2k0f h LEU 44 Cb 2.05 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.98 2k0f h LEU 44 CO 0.21 0.67 0.23 0.06 -0.34 0.00 0.00 178.44 179.26 2k0f h GLN 45 N -0.02 0.30 -0.29 1.25 3.07 -1.57 -0.97 115.11 116.89 2k0f h GLN 45 Ca 0.03 -0.02 -0.17 0.00 0.09 0.00 0.00 58.65 58.59 2k0f h GLN 45 Cb 0.54 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.03 2k0f h GLN 45 CO 0.02 0.20 -0.49 0.22 0.09 0.00 0.00 178.83 178.88 2k0f h ASP 46 N 0.31 0.87 -0.26 0.06 3.58 -1.45 -2.46 116.42 117.08 2k0f h ASP 46 Ca 0.14 -0.44 -0.03 0.00 0.42 0.00 0.00 57.03 57.12 2k0f h ASP 46 Cb 0.16 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2k0f h ASP 46 CO -0.03 1.21 0.06 0.24 -2.88 0.00 0.00 179.24 177.84 2k0f h MET 47 N 0.63 0.42 -0.57 0.28 2.86 -0.87 -3.25 114.93 114.43 2k0f h MET 47 Ca 0.03 -0.11 0.09 0.00 -2.06 0.00 0.00 59.70 57.65 2k0f h MET 47 Cb 1.07 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.60 2k0f h MET 47 CO 0.11 0.52 0.19 0.82 1.06 0.00 0.00 176.91 179.61 2k0f h ILE 48 N 0.25 0.75 -0.55 -1.22 2.04 -1.07 -2.91 117.51 114.81 2k0f h ILE 48 Ca 0.08 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.88 2k0f h ILE 48 Cb 0.30 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 2k0f h ILE 48 CO 0.00 0.06 0.25 0.78 0.00 0.00 0.00 178.15 179.25 2k0f h ASN 49 N 0.35 0.32 -0.86 1.72 2.35 -1.57 -2.13 115.58 115.76 2k0f h ASN 49 Ca 0.29 0.05 0.09 0.00 -0.55 0.00 0.00 56.30 56.18 2k0f h ASN 49 Cb 0.36 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.66 2k0f h ASN 49 CO -0.31 0.22 0.56 -0.08 -1.65 0.00 0.00 177.43 176.16 2k0f h GLU 50 N 0.47 0.83 -0.00 0.81 4.57 -1.54 0.11 114.58 119.83 2k0f h GLU 50 Ca 0.25 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 2k0f h GLU 50 Cb 0.22 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2k0f h GLU 50 CO -0.21 0.55 -0.12 1.33 -1.18 0.00 0.00 179.01 179.38 2k0f n VAL 51 N -4.52 0.00 -2.40 0.32 0.24 -1.11 -4.95 118.33 105.91 2k0f n VAL 51 Ca 0.14 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.34 61.98 2k0f n VAL 51 Cb 0.30 -0.10 -0.04 0.00 -1.47 0.00 0.00 33.84 32.53 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 -2.53 7.15 -0.19 -1.34 -1.08 0.02 -4.88 116.67 113.82 2k0f s ASP 52 Ca 0.27 2.33 0.14 0.00 -0.52 0.00 0.00 52.55 54.78 2k0f s ASP 52 Cb 0.20 -2.63 -0.24 0.00 -1.46 0.00 0.00 42.92 38.80 2k0f s ASP 52 CO 0.49 -0.25 0.10 0.00 0.52 0.00 0.00 175.17 176.03 2k0f n ALA 53 N 1.38 1.48 0.04 3.66 0.00 -1.26 -4.61 120.51 121.20 2k0f n ALA 53 Ca 0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 53.44 52.06 2k0f n ALA 53 Cb 0.44 -0.25 -0.14 0.00 0.00 0.00 0.00 19.45 19.50 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N 0.00 0.31 0.00 0.00 2.03 -1.95 -3.49 116.42 113.32 2k0f h ASP 54 Ca -0.52 -0.47 0.00 0.00 -0.73 0.00 0.00 57.03 55.31 2k0f h ASP 54 Cb 2.17 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 40.57 2k0f h ASP 54 CO 0.02 1.40 0.00 0.61 -1.03 0.00 0.00 179.24 180.24 2k0f n GLY 55 N 1.66 1.01 0.13 7.15 0.00 -1.26 -5.02 105.19 108.86 2k0f n GLY 55 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.18 1.61 -1.07 -1.96 -3.47 115.58 110.50 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 56 CO 0.00 0.66 0.00 0.61 0.07 0.00 0.00 177.43 178.77 2k0f n GLY 57 N 0.53 1.15 3.01 9.14 0.00 -1.26 -5.09 105.19 112.67 2k0f n GLY 57 Ca -0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.18 0.04 -0.32 2.61 -4.23 -1.26 -4.74 115.64 105.57 2k0f s THR 58 Ca 0.00 -0.37 -0.23 0.00 -1.18 0.00 0.00 61.69 59.92 2k0f s THR 58 Cb 0.00 -0.25 0.00 0.00 1.34 0.00 0.00 72.50 73.59 2k0f s THR 58 CO 0.00 -0.20 0.75 -0.51 -0.54 0.00 0.00 174.62 174.11 2k0f s ILE 59 N -0.64 4.82 0.78 2.99 2.07 -1.04 -4.92 121.20 125.25 2k0f s ILE 59 Ca -0.07 1.03 -0.11 0.00 -1.41 0.00 0.00 60.65 60.09 2k0f s ILE 59 Cb -0.04 -4.12 0.06 0.00 0.13 0.00 0.00 42.46 38.48 2k0f s ILE 59 CO 0.00 -0.26 1.10 -1.81 -1.91 0.00 0.00 174.94 172.06 2k0f s ASP 60 N 1.67 4.73 0.26 4.50 1.11 -1.26 -1.42 116.67 126.26 2k0f s ASP 60 Ca 0.30 1.25 -0.00 0.00 0.18 0.00 0.00 52.55 54.28 2k0f s ASP 60 Cb -0.14 -1.99 0.33 0.00 1.07 0.00 0.00 42.92 42.19 2k0f s ASP 60 CO 0.13 -1.81 1.70 0.15 1.18 0.00 0.00 175.17 176.52 2k0f h PHE 61 N -0.98 0.67 0.00 4.23 3.57 -1.82 -1.43 116.94 121.18 2k0f h PHE 61 Ca -0.46 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 60.90 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 0.47 0.77 0.00 -2.30 -2.23 0.00 0.00 178.31 175.02 2k0f n PRO 62 N -4.13 0.04 -0.11 6.41 -0.02 -1.26 -1.88 135.00 134.05 2k0f n PRO 62 Ca 0.00 0.33 -0.22 0.00 -2.02 0.00 0.00 63.50 61.59 2k0f n PRO 62 Cb 0.40 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.31 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k0f n GLU 63 N -1.40 0.47 -0.34 -0.52 1.02 -0.92 -3.31 120.64 115.65 2k0f n GLU 63 Ca 0.02 0.21 0.20 0.00 -0.02 0.00 0.00 57.16 57.56 2k0f n GLU 63 Cb 0.05 -1.30 0.44 0.00 -0.02 0.00 0.00 31.44 30.61 2k0f n GLU 63 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 64 N -0.82 0.85 -0.37 -0.32 3.04 -1.35 0.04 116.94 118.01 2k0f h PHE 64 Ca -0.49 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.37 2k0f h PHE 64 Cb 1.40 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.65 2k0f h PHE 64 CO -0.12 0.08 -0.22 1.25 -2.02 0.00 0.00 178.31 177.28 2k0f h LEU 65 N 0.51 0.83 -0.57 0.59 5.85 -1.50 -2.16 115.31 118.86 2k0f h LEU 65 Ca 0.62 -0.42 -0.14 0.00 0.84 0.00 0.00 57.88 58.78 2k0f h LEU 65 Cb 1.33 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2k0f h LEU 65 CO -0.38 1.07 -0.36 0.74 -0.34 0.00 0.00 178.44 179.17 2k0f h THR 66 N 0.60 1.28 -0.39 1.05 2.02 -1.41 0.21 112.91 116.27 2k0f h THR 66 Ca 0.08 -1.52 0.08 0.00 0.77 0.00 0.00 66.41 65.81 2k0f h THR 66 Cb 0.78 1.42 -0.07 0.00 -1.74 0.00 0.00 68.15 68.53 2k0f h THR 66 CO 0.06 0.50 -0.10 -0.03 0.37 0.00 0.00 175.52 176.32 2k0f h MET 67 N 0.62 -0.00 -0.25 6.66 1.85 -0.98 -1.34 114.93 121.48 2k0f h MET 67 Ca 0.06 0.00 -0.18 0.00 -0.61 0.00 0.00 59.70 58.97 2k0f h MET 67 Cb 0.90 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.93 2k0f h MET 67 CO 0.08 -0.00 -0.54 0.52 -0.40 0.00 0.00 176.91 176.56 2k0f h MET 68 N -0.00 0.75 -1.00 0.39 2.07 -1.14 -2.65 114.93 113.35 2k0f h MET 68 Ca 0.19 -0.47 0.15 0.00 -2.07 0.00 0.00 59.70 57.49 2k0f h MET 68 Cb 0.29 0.05 -0.09 0.00 -1.87 0.00 0.00 31.60 29.98 2k0f h MET 68 CO -0.40 1.10 0.62 0.00 1.07 0.00 0.00 176.91 179.30 2k0f h ALA 69 N 0.80 1.59 -2.32 6.32 0.00 -0.54 -3.44 119.26 121.68 2k0f h ALA 69 Ca 0.01 0.04 -0.57 0.00 0.00 0.00 0.00 54.91 54.39 2k0f h ALA 69 Cb 1.13 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 2k0f h ALA 69 CO 0.11 0.11 0.48 0.50 0.00 0.00 0.00 179.25 180.45 2k0f s ARG 70 N -5.90 4.32 0.62 0.00 3.52 -0.51 -5.04 118.95 115.95 2k0f s ARG 70 Ca -0.12 1.14 -0.03 0.00 -0.13 0.00 0.00 55.73 56.60 2k0f s ARG 70 Cb 0.23 -3.57 0.04 0.00 -1.56 0.00 0.00 34.95 30.09 2k0f s ARG 70 CO 0.81 -0.36 0.89 0.15 -0.81 0.00 0.00 175.30 175.98 2k0f s LYS 71 N 2.24 2.42 0.50 5.12 1.02 -1.26 -4.94 119.74 124.83 2k0f s LYS 71 Ca 0.41 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.93 2k0f s LYS 71 Cb -0.17 -2.33 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 2k0f s LYS 71 CO 0.13 -0.94 0.05 -1.64 -0.92 0.00 0.00 175.35 172.02 2k0f s MET 72 N -4.99 2.16 0.88 1.68 -1.94 -1.26 -5.16 119.30 110.67 2k0f s MET 72 Ca 0.58 -2.38 -0.13 0.00 -1.71 0.00 0.00 55.69 52.04 2k0f s MET 72 Cb -0.11 -1.19 0.13 0.00 2.01 0.00 0.00 34.83 35.67 2k0f s MET 72 CO 0.42 -0.46 1.21 -1.59 -0.01 0.00 0.00 175.02 174.58 2k0f s LYS 73 N -3.82 1.34 0.17 2.03 -2.85 -1.26 -4.77 119.74 110.58 2k0f s LYS 73 Ca 0.07 0.00 -0.08 0.00 -1.00 0.00 0.00 55.97 54.97 2k0f s LYS 73 Cb 0.00 -1.89 0.05 0.00 -2.06 0.00 0.00 37.83 33.94 2k0f s LYS 73 CO 0.05 -2.01 1.53 -0.44 0.10 0.00 0.00 175.35 174.59 2k0f h ASP 74 N -1.35 0.89 0.46 0.03 3.32 -2.02 -1.37 116.42 116.38 2k0f h ASP 74 Ca -0.46 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.19 2k0f h ASP 74 Cb 1.30 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 2k0f h ASP 74 CO 0.57 1.15 -0.51 0.71 -1.72 0.00 0.00 179.24 179.43 2k0f h THR 75 N 0.70 0.01 -0.74 0.35 1.35 -2.00 -2.38 112.91 110.21 2k0f h THR 75 Ca 0.07 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.07 2k0f h THR 75 Cb 0.91 0.01 -0.05 0.00 -1.73 0.00 0.00 68.15 67.30 2k0f h THR 75 CO 0.08 0.00 0.49 0.44 -0.25 0.00 0.00 175.52 176.29 2k0f h ASP 76 N -0.98 0.37 1.04 5.36 5.19 -1.87 -2.24 116.42 123.28 2k0f h ASP 76 Ca -0.06 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2k0f h ASP 76 Cb 0.87 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.32 2k0f h ASP 76 CO -0.09 0.19 -0.28 -1.20 -3.12 0.00 0.00 179.24 174.74 2k0f n SER 77 N -4.47 0.58 -0.01 6.45 7.64 -0.54 -1.77 113.62 121.50 2k0f n SER 77 Ca 0.14 0.29 -0.18 0.00 1.01 0.00 0.00 58.87 60.13 2k0f n SER 77 Cb 0.53 -0.27 -0.08 0.00 -1.01 0.00 0.00 64.21 63.38 2k0f n SER 77 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2k0f h GLU 78 N 0.00 0.71 0.00 1.43 4.57 -0.86 -3.17 114.58 117.27 2k0f h GLU 78 Ca 0.00 -0.63 -0.11 0.00 -1.18 0.00 0.00 59.36 57.44 2k0f h GLU 78 Cb 0.66 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 2k0f h GLU 78 CO 0.00 1.24 -0.51 0.93 -1.18 0.00 0.00 179.01 179.49 2k0f h GLU 79 N 0.41 0.00 -0.44 1.92 4.39 -1.44 -0.36 114.58 119.06 2k0f h GLU 79 Ca -0.07 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 2k0f h GLU 79 Cb 1.43 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.07 2k0f h GLU 79 CO 0.16 0.51 -0.12 1.49 -1.16 0.00 0.00 179.01 179.88 2k0f h GLU 80 N 0.00 0.86 0.01 2.33 4.81 -1.39 -2.67 114.58 118.53 2k0f h GLU 80 Ca -0.01 -0.34 -0.21 0.00 -0.13 0.00 0.00 59.36 58.67 2k0f h GLU 80 Cb 1.16 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2k0f h GLU 80 CO 0.07 0.98 -1.01 0.82 -0.73 0.00 0.00 179.01 179.13 2k0f h ILE 81 N 0.69 1.69 -0.97 2.32 2.04 -1.44 -3.18 117.51 118.66 2k0f h ILE 81 Ca 0.11 -3.34 0.02 0.00 1.00 0.00 0.00 64.86 62.65 2k0f h ILE 81 Cb 0.67 2.83 -0.05 0.00 -0.74 0.00 0.00 36.82 39.53 2k0f h ILE 81 CO 0.05 0.96 0.64 0.03 0.00 0.00 0.00 178.15 179.82 2k0f h ARG 82 N 0.01 1.24 0.08 2.37 3.08 -1.03 0.39 114.38 120.51 2k0f h ARG 82 Ca -0.02 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.96 2k0f h ARG 82 Cb 1.76 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 31.52 2k0f h ARG 82 CO 0.14 0.82 -0.11 0.93 -1.07 0.00 0.00 179.97 180.67 2k0f h GLU 83 N 1.28 -0.23 -0.57 0.04 4.39 -1.59 -1.66 114.58 116.24 2k0f h GLU 83 Ca 0.37 0.02 0.11 0.00 0.34 0.00 0.00 59.36 60.20 2k0f h GLU 83 Cb -0.09 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 28.52 2k0f h GLU 83 CO -0.10 -0.15 0.05 0.00 -1.16 0.00 0.00 179.01 177.65 2k0f h ALA 84 N 0.66 0.60 -0.19 3.43 0.00 -1.48 -2.51 119.26 119.77 2k0f h ALA 84 Ca 0.02 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2k0f h ALA 84 Cb 0.25 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2k0f h ALA 84 CO -0.06 -0.36 -0.38 0.35 0.00 0.00 0.00 179.25 178.80 2k0f h PHE 85 N 0.16 -1.15 0.00 0.00 3.57 -0.23 -3.10 116.94 116.20 2k0f h PHE 85 Ca 0.30 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.85 2k0f h PHE 85 Cb 0.46 0.53 0.00 0.00 2.79 0.00 0.00 35.95 39.73 2k0f h PHE 85 CO -0.31 -0.36 0.30 0.54 -2.23 0.00 0.00 178.31 176.25 2k0f n ARG 86 N -4.54 0.04 -0.02 1.11 1.74 -0.63 -1.47 116.66 112.89 2k0f n ARG 86 Ca -0.03 0.42 -0.12 0.00 -0.77 0.00 0.00 57.85 57.34 2k0f n ARG 86 Cb 0.25 -1.93 -0.10 0.00 -1.02 0.00 0.00 32.46 29.65 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 1.38 0.81 1.55 2.07 -1.37 -3.38 116.25 117.31 2k0f h VAL 87 Ca 0.00 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 65.88 2k0f h VAL 87 Cb 0.59 2.40 0.01 0.00 -1.52 0.00 0.00 31.29 32.77 2k0f h VAL 87 CO 0.00 0.39 -0.39 -0.26 0.02 0.00 0.00 177.57 177.33 2k0f h PHE 88 N -0.78 -1.01 -2.03 1.57 -1.00 -1.62 -3.43 116.94 108.63 2k0f h PHE 88 Ca -0.00 -0.02 -0.50 0.00 2.81 0.00 0.00 57.97 60.25 2k0f h PHE 88 Cb 0.68 0.33 -0.03 0.00 3.61 0.00 0.00 35.95 40.54 2k0f h PHE 88 CO 0.16 -0.62 1.36 0.34 -1.61 0.00 0.00 178.31 177.94 2k0f s ASP 89 N -4.29 5.29 -0.13 2.17 2.15 -0.54 -4.75 116.67 116.57 2k0f s ASP 89 Ca -0.17 0.44 -0.08 0.00 0.43 0.00 0.00 52.55 53.17 2k0f s ASP 89 Cb 0.02 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 40.08 2k0f s ASP 89 CO 0.54 -2.34 -0.16 0.50 -0.17 0.00 0.00 175.17 173.54 2k0f h LYS 90 N 14.95 0.00 0.00 4.34 1.63 -1.84 -3.42 116.57 132.23 2k0f h LYS 90 Ca -0.26 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 2k0f h LYS 90 Cb 1.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 2k0f h LYS 90 CO 1.20 0.00 0.00 -0.40 -3.45 0.00 0.00 179.45 176.80 2k0f n ASP 91 N -4.53 0.00 0.00 4.20 5.68 -1.26 -4.99 116.55 115.65 2k0f n ASP 91 Ca -0.06 0.63 0.00 0.00 -0.50 0.00 0.00 54.79 54.86 2k0f n ASP 91 Cb 0.24 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 -0.64 -0.01 0.10 6.12 0.00 -1.26 -5.07 105.19 104.42 2k0f n GLY 92 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 1.06 -1.95 1.61 0.23 -1.26 -4.98 115.26 109.96 2k0f n ASN 93 Ca 0.00 -0.92 -0.15 0.00 -0.53 0.00 0.00 54.58 52.98 2k0f n ASN 93 Cb 0.00 0.70 0.01 0.00 -2.08 0.00 0.00 39.78 38.42 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 94 N 1.48 -0.17 2.97 4.83 0.00 -1.26 -5.03 105.19 108.00 2k0f n GLY 94 Ca 0.06 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.88 1.28 -0.23 1.61 1.51 -1.26 -3.73 117.35 113.65 2k0f s TYR 95 Ca 0.13 -0.49 -0.15 0.00 -1.01 0.00 0.00 57.07 55.56 2k0f s TYR 95 Cb -0.06 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 2k0f s TYR 95 CO 0.16 -0.30 0.35 0.42 -1.11 0.00 0.00 175.55 175.07 2k0f s ILE 96 N 0.94 5.22 0.42 2.71 1.01 0.12 -4.87 121.20 126.76 2k0f s ILE 96 Ca -0.10 0.57 0.07 0.00 0.00 0.00 0.00 60.65 61.20 2k0f s ILE 96 Cb -0.15 -3.68 0.07 0.00 0.01 0.00 0.00 42.46 38.71 2k0f s ILE 96 CO 0.01 0.23 0.59 -1.54 0.00 0.00 0.00 174.94 174.22 2k0f n SER 97 N 4.76 1.55 0.10 3.58 3.41 -1.26 -1.20 113.62 124.55 2k0f n SER 97 Ca -0.09 -2.13 -0.18 0.00 -0.26 0.00 0.00 58.87 56.21 2k0f n SER 97 Cb 0.51 -0.31 -0.15 0.00 -0.26 0.00 0.00 64.21 64.01 2k0f n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k0f h ALA 98 N 0.22 0.10 -0.95 7.33 0.00 -1.96 -2.62 119.26 121.38 2k0f h ALA 98 Ca -0.20 -0.97 0.04 0.00 0.00 0.00 0.00 54.91 53.78 2k0f h ALA 98 Cb 0.91 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2k0f h ALA 98 CO 0.28 0.97 0.62 0.00 0.00 0.00 0.00 179.25 181.12 2k0f h ALA 99 N 0.44 1.40 -0.03 0.00 0.00 -1.98 -0.90 119.26 118.20 2k0f h ALA 99 Ca -0.21 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 2k0f h ALA 99 Cb 2.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2k0f h ALA 99 CO 0.20 0.51 -0.60 0.93 0.00 0.00 0.00 179.25 180.29 2k0f h GLU 100 N 1.18 0.10 -0.01 0.00 5.08 -1.88 -3.02 114.58 116.04 2k0f h GLU 100 Ca 0.38 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.46 2k0f h GLU 100 Cb 0.02 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2k0f h GLU 100 CO -0.12 0.67 -0.88 1.25 -1.00 0.00 0.00 179.01 178.94 2k0f h LEU 101 N 0.07 0.41 -0.39 1.33 5.85 -0.93 -2.62 115.31 119.04 2k0f h LEU 101 Ca -0.01 -0.32 -0.11 0.00 0.84 0.00 0.00 57.88 58.28 2k0f h LEU 101 Cb 1.08 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 2k0f h LEU 101 CO 0.08 1.10 -0.21 0.03 -0.34 0.00 0.00 178.44 179.11 2k0f h ARG 102 N 0.19 0.82 0.27 1.25 3.08 -1.27 -1.25 114.38 117.47 2k0f h ARG 102 Ca -0.06 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 2k0f h ARG 102 Cb 1.50 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.51 2k0f h ARG 102 CO 0.14 1.00 -0.30 1.25 -1.07 0.00 0.00 179.97 180.99 2k0f h HIS 103 N 0.63 -0.84 -0.16 3.04 2.76 -1.53 -0.02 115.15 119.03 2k0f h HIS 103 Ca 0.08 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2k0f h HIS 103 Cb 0.77 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 2k0f h HIS 103 CO 0.06 -0.39 0.08 -0.24 -1.30 0.00 0.00 177.93 176.13 2k0f h VAL 104 N -0.58 1.13 -0.98 5.26 3.04 -1.45 0.20 116.25 122.86 2k0f h VAL 104 Ca -0.03 -0.37 0.09 0.00 -1.01 0.00 0.00 66.70 65.38 2k0f h VAL 104 Cb 0.51 1.08 -0.07 0.00 -2.01 0.00 0.00 31.29 30.80 2k0f h VAL 104 CO -0.05 0.12 0.63 0.24 -1.01 0.00 0.00 177.57 177.50 2k0f h MET 105 N 0.13 1.02 -0.10 4.17 2.07 -1.30 -0.62 114.93 120.31 2k0f h MET 105 Ca 0.05 -0.06 -0.04 0.00 -2.07 0.00 0.00 59.70 57.59 2k0f h MET 105 Cb 0.12 -0.23 -0.00 0.00 -1.87 0.00 0.00 31.60 29.62 2k0f h MET 105 CO -0.01 0.68 -0.08 1.15 1.07 0.00 0.00 176.91 179.72 2k0f h THR 106 N 1.05 1.35 -0.21 2.22 2.02 -0.29 -2.80 112.91 116.25 2k0f h THR 106 Ca 0.45 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 2k0f h THR 106 Cb 0.33 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 2k0f h THR 106 CO -0.21 0.34 0.13 0.78 0.37 0.00 0.00 175.52 176.93 2k0f h ASN 107 N -0.17 0.25 0.49 4.18 2.35 -0.48 -3.15 115.58 119.05 2k0f h ASN 107 Ca 0.02 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2k0f h ASN 107 Cb 0.58 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 2k0f h ASN 107 CO 0.02 0.19 -0.17 0.25 -1.65 0.00 0.00 177.43 176.07 2k0f h LEU 108 N 0.29 0.00 0.00 1.61 5.85 -1.03 -3.36 115.31 118.67 2k0f h LEU 108 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2k0f h LEU 108 Cb -0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2k0f h LEU 108 CO -0.01 0.17 0.00 0.61 -0.34 0.00 0.00 178.44 178.87 2k0f n GLY 109 N -0.47 1.18 3.89 3.75 0.00 -1.19 -4.92 105.19 107.42 2k0f n GLY 109 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.26 3.69 -0.40 1.61 0.41 -1.06 -5.04 118.70 117.65 2k0f s GLU 110 Ca 0.00 0.35 0.01 0.00 -0.41 0.00 0.00 54.97 54.92 2k0f s GLU 110 Cb 0.00 -2.41 0.11 0.00 -1.78 0.00 0.00 34.13 30.05 2k0f s GLU 110 CO 0.00 -0.07 0.15 0.21 -0.49 0.00 0.00 175.26 175.06 2k0f s LYS 111 N -4.11 1.78 -0.03 1.61 2.47 -1.26 -4.06 119.74 116.14 2k0f s LYS 111 Ca 0.49 -1.96 -0.15 0.00 -1.56 0.00 0.00 55.97 52.79 2k0f s LYS 111 Cb -0.10 -3.39 -0.05 0.00 -1.46 0.00 0.00 37.83 32.82 2k0f s LYS 111 CO 0.36 -1.02 0.41 -0.51 0.16 0.00 0.00 175.35 174.75 2k0f s LEU 112 N 0.83 4.42 0.45 5.43 1.43 -1.26 -5.10 118.68 124.88 2k0f s LEU 112 Ca 0.11 0.90 -0.00 0.00 -1.03 0.00 0.00 54.13 54.11 2k0f s LEU 112 Cb -0.21 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 2k0f s LEU 112 CO -0.06 0.25 0.68 0.42 0.23 0.00 0.00 176.35 177.87 2k0f s THR 113 N -0.65 4.11 0.28 5.49 -4.23 -1.26 -4.92 115.64 114.45 2k0f s THR 113 Ca 0.24 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 2k0f s THR 113 Cb -0.16 -3.52 0.27 0.00 1.34 0.00 0.00 72.50 70.43 2k0f s THR 113 CO 0.12 -0.38 1.84 0.44 -0.54 0.00 0.00 174.62 176.10 2k0f h ASP 114 N 0.39 0.91 0.53 3.99 5.19 -2.01 -1.77 116.42 123.66 2k0f h ASP 114 Ca -0.46 0.05 -0.14 0.00 -0.62 0.00 0.00 57.03 55.85 2k0f h ASP 114 Cb 1.25 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.60 2k0f h ASP 114 CO 0.58 0.49 -0.63 1.05 -3.12 0.00 0.00 179.24 177.62 2k0f h GLU 115 N 0.99 0.09 -0.30 3.56 9.09 -2.01 -3.31 114.58 122.69 2k0f h GLU 115 Ca 0.48 -0.06 -0.15 0.00 0.05 0.00 0.00 59.36 59.68 2k0f h GLU 115 Cb 0.45 0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.56 2k0f h GLU 115 CO -0.26 0.68 -0.40 1.49 0.05 0.00 0.00 179.01 180.58 2k0f h GLU 116 N 0.06 0.79 -0.34 1.06 4.57 -1.71 -2.23 114.58 116.78 2k0f h GLU 116 Ca -0.01 -0.46 0.07 0.00 -1.18 0.00 0.00 59.36 57.79 2k0f h GLU 116 Cb 1.12 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.67 2k0f h GLU 116 CO 0.09 1.09 -0.15 0.28 -1.18 0.00 0.00 179.01 179.14 2k0f h VAL 117 N 0.56 0.53 -0.53 0.32 2.07 -1.59 0.43 116.25 118.04 2k0f h VAL 117 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 2k0f h VAL 117 Cb 0.99 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2k0f h VAL 117 CO 0.09 0.00 0.18 0.44 0.02 0.00 0.00 177.57 178.30 2k0f h ASP 118 N -0.09 0.76 -0.47 0.57 5.19 -1.64 -2.03 116.42 118.72 2k0f h ASP 118 Ca 0.17 -0.20 0.09 0.00 -0.62 0.00 0.00 57.03 56.47 2k0f h ASP 118 Cb 0.35 -0.20 -0.07 0.00 0.18 0.00 0.00 39.33 39.59 2k0f h ASP 118 CO -0.40 0.76 0.02 -0.08 -3.12 0.00 0.00 179.24 176.42 2k0f h GLU 119 N 0.73 0.13 -0.95 3.56 4.57 -0.64 0.27 114.58 122.26 2k0f h GLU 119 Ca 0.17 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2k0f h GLU 119 Cb 0.26 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.77 2k0f h GLU 119 CO -0.01 0.09 0.59 0.52 -1.18 0.00 0.00 179.01 179.02 2k0f h MET 120 N 0.14 1.27 -0.11 1.92 2.86 -0.16 -1.37 114.93 119.48 2k0f h MET 120 Ca 0.23 -0.11 -0.11 0.00 -2.06 0.00 0.00 59.70 57.66 2k0f h MET 120 Cb 0.34 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2k0f h MET 120 CO -0.37 0.88 -0.42 0.82 1.06 0.00 0.00 176.91 178.88 2k0f h ILE 121 N 1.30 1.31 0.08 -1.22 1.08 -0.46 -2.19 117.51 117.41 2k0f h ILE 121 Ca 0.34 -1.55 -0.25 0.00 -0.39 0.00 0.00 64.86 63.02 2k0f h ILE 121 Cb -0.08 1.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.36 2k0f h ILE 121 CO -0.07 0.46 -1.14 -0.09 -0.69 0.00 0.00 178.15 176.63 2k0f h ARG 122 N 0.20 0.18 0.00 2.37 2.43 -0.09 0.60 114.38 120.07 2k0f h ARG 122 Ca 0.02 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2k0f h ARG 122 Cb 0.83 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2k0f h ARG 122 CO 0.07 1.13 -0.57 1.05 -1.51 0.00 0.00 179.97 180.14 2k0f h GLU 123 N 0.05 0.00 -0.03 0.20 4.11 -1.26 -3.29 114.58 114.37 2k0f h GLU 123 Ca -0.09 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.26 2k0f h GLU 123 Cb 1.87 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.13 2k0f h GLU 123 CO 0.18 0.00 -0.31 0.00 0.07 0.00 0.00 179.01 178.95 2k0f h ALA 124 N 2.35 0.08 -2.03 1.06 0.00 -0.81 -3.44 119.26 116.47 2k0f h ALA 124 Ca 0.00 -0.46 -0.58 0.00 0.00 0.00 0.00 54.91 53.87 2k0f h ALA 124 Cb 0.83 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 2k0f h ALA 124 CO 0.00 0.15 0.74 0.34 0.00 0.00 0.00 179.25 180.47 2k0f s ASP 125 N -6.37 6.88 -0.13 0.00 -1.08 0.20 -4.84 116.67 111.33 2k0f s ASP 125 Ca -0.15 0.97 -0.28 0.00 -0.52 0.00 0.00 52.55 52.57 2k0f s ASP 125 Cb 0.02 -2.51 -0.26 0.00 -1.46 0.00 0.00 42.92 38.71 2k0f s ASP 125 CO 0.76 -0.81 0.81 0.40 0.52 0.00 0.00 175.17 176.85 2k0f h ILE 126 N 5.69 1.76 0.46 4.11 2.04 -1.85 -3.36 117.51 126.35 2k0f h ILE 126 Ca -0.21 -2.30 -0.02 0.00 1.00 0.00 0.00 64.86 63.33 2k0f h ILE 126 Cb 1.07 3.32 -0.01 0.00 -0.74 0.00 0.00 36.82 40.46 2k0f h ILE 126 CO 1.00 0.60 -0.28 0.44 0.00 0.00 0.00 178.15 179.91 2k0f h ASP 127 N -0.92 -0.71 0.00 1.72 3.32 -1.95 -3.47 116.42 114.40 2k0f h ASP 127 Ca -0.01 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2k0f h ASP 127 Cb 1.02 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2k0f h ASP 127 CO 0.01 -0.45 0.00 0.61 -1.72 0.00 0.00 179.24 177.70 2k0f n GLY 128 N -1.42 1.69 0.09 2.75 0.00 -1.26 -5.01 105.19 102.03 2k0f n GLY 128 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.92 -3.49 116.42 114.72 2k0f h ASP 129 Ca 0.00 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.17 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 1.12 0.00 0.61 -1.03 0.00 0.00 179.24 179.94 2k0f n GLY 130 N 1.61 1.09 2.80 7.15 0.00 -1.26 -5.09 105.19 111.47 2k0f n GLY 130 Ca -0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.40 0.37 -0.49 1.61 -0.21 -1.26 -4.55 119.66 114.72 2k0f s GLN 131 Ca 0.00 0.10 -0.25 0.00 0.02 0.00 0.00 55.36 55.24 2k0f s GLN 131 Cb 0.00 -0.62 0.03 0.00 1.00 0.00 0.00 33.01 33.42 2k0f s GLN 131 CO 0.00 -0.19 0.93 0.08 -2.12 0.00 0.00 175.29 173.99 2k0f s VAL 132 N 1.36 4.45 0.97 1.09 1.01 -0.34 -4.82 120.40 124.11 2k0f s VAL 132 Ca -0.05 0.59 -0.15 0.00 0.00 0.00 0.00 61.98 62.37 2k0f s VAL 132 Cb -0.13 -4.46 0.21 0.00 0.00 0.00 0.00 36.38 32.00 2k0f s VAL 132 CO -0.02 -0.92 1.32 0.54 0.00 0.00 0.00 175.10 176.02 2k0f s ASN 133 N 2.44 2.99 0.18 3.32 2.20 -1.26 -0.70 114.94 124.10 2k0f s ASN 133 Ca 0.35 0.12 -0.13 0.00 -0.94 0.00 0.00 52.86 52.26 2k0f s ASN 133 Cb -0.11 -0.11 0.09 0.00 -2.00 0.00 0.00 41.25 39.12 2k0f s ASN 133 CO 0.24 -2.80 1.85 0.22 -2.94 0.00 0.00 177.10 173.66 2k0f h TYR 134 N -1.65 0.72 -0.52 1.54 5.03 -1.97 -2.78 116.97 117.34 2k0f h TYR 134 Ca -0.43 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 60.80 2k0f h TYR 134 Cb 1.22 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 39.24 2k0f h TYR 134 CO -1.32 0.45 -0.03 0.93 -1.32 0.00 0.00 178.16 176.88 2k0f h GLU 135 N 0.78 0.91 0.00 1.82 5.08 -1.95 -0.55 114.58 120.67 2k0f h GLU 135 Ca 0.22 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 135 Cb -0.08 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2k0f h GLU 135 CO -0.05 0.92 0.00 0.93 -1.00 0.00 0.00 179.01 179.81 2k0f h GLU 136 N 0.83 0.00 0.04 2.33 5.08 -1.88 0.21 114.58 121.20 2k0f h GLU 136 Ca 0.15 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.13 2k0f h GLU 136 Cb 0.54 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 2k0f h GLU 136 CO 0.03 0.00 -2.30 0.34 -1.00 0.00 0.00 179.01 176.08 2k0f n PHE 137 N -2.80 0.44 -0.07 4.33 -0.00 -0.69 -1.80 117.46 116.87 2k0f n PHE 137 Ca -0.01 0.10 -0.09 0.00 -0.00 0.00 0.00 57.45 57.45 2k0f n PHE 137 Cb 0.17 -1.06 -0.03 0.00 -0.00 0.00 0.00 39.48 38.57 2k0f n PHE 137 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2k0f h VAL 138 N -0.06 0.22 -0.76 -2.13 2.07 -0.85 0.24 116.25 114.98 2k0f h VAL 138 Ca -0.53 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2k0f h VAL 138 Cb 1.91 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 2k0f h VAL 138 CO -0.05 0.00 0.48 1.56 0.02 0.00 0.00 177.57 179.57 2k0f h GLN 139 N -0.32 1.02 0.37 1.57 1.08 -1.08 -1.36 115.11 116.38 2k0f h GLN 139 Ca 0.14 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2k0f h GLN 139 Cb 0.55 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2k0f h GLN 139 CO -0.47 0.70 -0.18 1.98 -0.95 0.00 0.00 178.83 179.91 2k0f h MET 140 N 1.04 -0.47 0.00 1.46 4.05 -1.12 -3.29 114.93 116.59 2k0f h MET 140 Ca 0.28 0.03 -0.17 0.00 -0.28 0.00 0.00 59.70 59.56 2k0f h MET 140 Cb -0.07 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 2k0f h MET 140 CO -0.05 -0.30 -0.79 1.98 0.23 0.00 0.00 176.91 177.97 2k0f h MET 141 N -0.51 0.00 0.00 0.39 1.85 -0.56 -3.50 114.93 112.59 2k0f h MET 141 Ca -0.05 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.04 2k0f h MET 141 Cb 0.39 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.42 2k0f h MET 141 CO 0.08 0.79 0.00 2.41 -0.40 0.00 0.00 176.91 179.79