#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f n GLU 2 N 0.00 0.00 -3.72 1.09 1.02 -1.26 -4.95 120.64 112.82 2k0f n GLU 2 Ca 0.00 0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 57.02 2k0f n GLU 2 Cb 0.00 -0.68 -0.15 0.00 -0.02 0.00 0.00 31.44 30.59 2k0f n GLU 2 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2k0f s GLU 3 N -0.37 0.06 0.00 3.49 2.56 -1.26 -5.08 118.70 118.11 2k0f s GLU 3 Ca 0.00 0.42 -0.25 0.00 0.00 0.00 0.00 54.97 55.14 2k0f s GLU 3 Cb 0.00 -0.22 -0.18 0.00 2.00 0.00 0.00 34.13 35.72 2k0f s GLU 3 CO 0.00 -0.21 1.34 1.96 -0.56 0.00 0.00 175.26 177.78 2k0f h GLN 4 N 7.63 -0.09 -0.22 4.30 4.20 -1.98 -2.09 115.11 126.85 2k0f h GLN 4 Ca -0.33 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.44 2k0f h GLN 4 Cb 1.13 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.86 2k0f h GLN 4 CO 0.33 0.27 -0.29 0.82 -0.67 0.00 0.00 178.83 179.29 2k0f h ILE 5 N -0.47 0.31 -0.56 2.54 1.08 -1.99 -0.71 117.51 117.72 2k0f h ILE 5 Ca -0.01 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.57 2k0f h ILE 5 Cb 0.40 0.31 -0.09 0.00 -3.07 0.00 0.00 36.82 34.38 2k0f h ILE 5 CO 0.02 0.00 0.03 0.00 -0.69 0.00 0.00 178.15 177.50 2k0f h ALA 6 N 0.62 0.56 -0.76 1.87 0.00 -1.99 -2.49 119.26 117.07 2k0f h ALA 6 Ca 0.12 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2k0f h ALA 6 Cb 0.51 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2k0f h ALA 6 CO -0.40 -0.37 0.45 1.49 0.00 0.00 0.00 179.25 180.42 2k0f h GLU 7 N 0.14 0.81 -0.36 0.00 4.81 -0.77 -1.47 114.58 117.73 2k0f h GLU 7 Ca 0.29 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 2k0f h GLU 7 Cb 0.44 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2k0f h GLU 7 CO -0.45 0.53 0.12 0.74 -0.73 0.00 0.00 179.01 179.23 2k0f h PHE 8 N 0.83 0.58 -0.06 0.92 0.04 -1.01 0.30 116.94 118.54 2k0f h PHE 8 Ca 0.34 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 61.09 2k0f h PHE 8 Cb 0.18 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 2k0f h PHE 8 CO -0.05 0.55 -0.19 0.87 -0.60 0.00 0.00 178.31 178.88 2k0f h LYS 9 N 0.44 -0.27 -0.45 1.51 1.79 -1.33 -1.72 116.57 116.54 2k0f h LYS 9 Ca 0.12 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.66 2k0f h LYS 9 Cb 0.24 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.90 2k0f h LYS 9 CO -0.01 -0.18 0.17 0.93 -1.08 0.00 0.00 179.45 179.28 2k0f h GLU 10 N -0.28 0.33 0.46 3.15 4.39 -1.03 -2.98 114.58 118.62 2k0f h GLU 10 Ca 0.07 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 2k0f h GLU 10 Cb 0.39 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2k0f h GLU 10 CO -0.22 0.22 -0.29 0.00 -1.16 0.00 0.00 179.01 177.56 2k0f h ALA 11 N 1.29 -0.72 -1.38 3.43 0.00 -0.37 -3.13 119.26 118.37 2k0f h ALA 11 Ca 0.21 -0.14 0.43 0.00 0.00 0.00 0.00 54.91 55.41 2k0f h ALA 11 Cb 0.20 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.24 2k0f h ALA 11 CO -0.21 -0.92 0.92 0.35 0.00 0.00 0.00 179.25 179.39 2k0f h PHE 12 N -0.72 0.41 0.00 0.00 3.04 -1.36 -2.55 116.94 115.76 2k0f h PHE 12 Ca -0.05 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2k0f h PHE 12 Cb 0.59 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.00 2k0f h PHE 12 CO -0.10 -0.13 0.00 0.77 -2.02 0.00 0.00 178.31 176.82 2k0f h SER 13 N 0.09 0.00 1.11 0.41 0.02 -1.46 0.37 113.55 114.10 2k0f h SER 13 Ca 0.80 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.56 2k0f h SER 13 Cb 2.63 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 65.14 2k0f h SER 13 CO -0.31 0.00 -0.88 -0.07 -1.14 0.00 0.00 176.83 174.43 2k0f h LEU 14 N 0.00 0.00 0.00 5.07 3.38 -1.57 -3.34 115.31 118.85 2k0f h LEU 14 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k0f h LEU 14 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2k0f h LEU 14 CO 0.00 0.88 -0.19 -0.26 0.09 0.00 0.00 178.44 178.96 2k0f h PHE 15 N 0.00 0.00 -3.00 1.13 -1.00 -1.57 -3.46 116.94 109.05 2k0f h PHE 15 Ca -0.01 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.22 2k0f h PHE 15 Cb 1.67 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 41.17 2k0f h PHE 15 CO 0.00 0.00 1.09 0.34 -1.61 0.00 0.00 178.31 178.13 2k0f s ASP 16 N -5.43 6.20 0.00 2.17 -1.08 0.13 -4.76 116.67 113.89 2k0f s ASP 16 Ca -0.05 0.47 0.24 0.00 -0.52 0.00 0.00 52.55 52.69 2k0f s ASP 16 Cb 0.01 -2.54 0.27 0.00 -1.46 0.00 0.00 42.92 39.19 2k0f s ASP 16 CO 0.08 -1.61 1.30 1.17 0.52 0.00 0.00 175.17 176.63 2k0f n LYS 17 N 8.45 2.28 -0.04 4.34 4.81 -1.26 -3.72 118.16 133.01 2k0f n LYS 17 Ca 0.14 -1.86 -0.03 0.00 -0.87 0.00 0.00 58.31 55.69 2k0f n LYS 17 Cb 0.49 -1.46 -0.01 0.00 0.02 0.00 0.00 35.03 34.07 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k0f n ASP 18 N 1.26 0.83 0.00 3.14 8.00 -1.26 -5.06 116.55 123.45 2k0f n ASP 18 Ca 0.15 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.93 2k0f n ASP 18 Cb 0.58 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.59 0.70 0.23 0.44 0.00 -1.24 -5.07 105.19 101.83 2k0f n GLY 19 Ca -0.05 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 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 1.85 0.00 1.61 5.68 -1.26 -5.01 116.55 119.41 2k0f n ASP 20 Ca 0.00 0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 2k0f n ASP 20 Cb 0.00 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 1.85 -0.65 3.00 6.12 0.00 -1.26 -5.12 105.19 109.14 2k0f n GLY 21 Ca -0.43 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.35 0.21 -0.21 2.61 -4.23 -1.26 -2.28 115.64 110.12 2k0f s THR 22 Ca 0.00 -1.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.50 2k0f s THR 22 Cb 0.00 -0.41 0.01 0.00 1.34 0.00 0.00 72.50 73.45 2k0f s THR 22 CO 0.00 -0.50 -0.13 -0.63 -0.54 0.00 0.00 174.62 172.82 2k0f s ILE 23 N -1.59 2.59 0.76 2.99 1.01 -0.54 -4.69 121.20 121.74 2k0f s ILE 23 Ca -0.13 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 2k0f s ILE 23 Cb -0.09 -2.18 0.09 0.00 0.01 0.00 0.00 42.46 40.29 2k0f s ILE 23 CO -0.01 0.42 1.09 0.42 0.00 0.00 0.00 174.94 176.86 2k0f s THR 24 N 1.34 2.16 0.20 2.92 -4.23 -1.26 -2.89 115.64 113.89 2k0f s THR 24 Ca 0.04 -0.19 -0.11 0.00 -1.18 0.00 0.00 61.69 60.24 2k0f s THR 24 Cb -0.14 -2.97 0.15 0.00 1.34 0.00 0.00 72.50 70.88 2k0f s THR 24 CO -0.08 0.00 1.70 0.71 -0.54 0.00 0.00 174.62 176.41 2k0f h THR 25 N -0.84 0.64 -0.36 3.99 1.35 -1.89 -1.01 112.91 114.79 2k0f h THR 25 Ca -0.44 -0.07 0.06 0.00 -0.55 0.00 0.00 66.41 65.41 2k0f h THR 25 Cb 1.31 0.40 -0.06 0.00 -1.73 0.00 0.00 68.15 68.07 2k0f h THR 25 CO 0.57 0.04 0.01 0.50 -0.25 0.00 0.00 175.52 176.39 2k0f h LYS 26 N 0.22 0.11 -0.32 4.72 3.64 -1.99 -1.48 116.57 121.47 2k0f h LYS 26 Ca 0.29 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.57 2k0f h LYS 26 Cb 0.43 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2k0f h LYS 26 CO -0.40 0.07 -0.16 0.93 -2.27 0.00 0.00 179.45 177.62 2k0f h GLU 27 N 0.11 0.67 -0.43 1.90 5.08 -1.74 -1.37 114.58 118.79 2k0f h GLU 27 Ca 0.18 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2k0f h GLU 27 Cb 0.24 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2k0f h GLU 27 CO -0.29 0.89 0.06 1.25 -1.00 0.00 0.00 179.01 179.92 2k0f h LEU 28 N 0.43 0.69 -0.18 1.33 5.85 -1.18 -2.53 115.31 119.72 2k0f h LEU 28 Ca 0.07 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2k0f h LEU 28 Cb 0.69 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2k0f h LEU 28 CO 0.05 0.78 0.11 1.23 -0.34 0.00 0.00 178.44 180.28 2k0f h GLY 29 N 0.57 0.25 1.70 3.75 0.00 -1.26 -1.60 103.07 106.47 2k0f h GLY 29 Ca 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 2k0f h GLY 29 CO 0.01 0.10 0.00 -0.84 0.00 0.00 0.00 176.54 175.81 2k0f h THR 30 N 0.23 1.16 -0.67 4.70 2.02 -1.06 0.16 112.91 119.43 2k0f h THR 30 Ca 0.06 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 2k0f h THR 30 Cb -0.01 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 2k0f h THR 30 CO -0.01 0.21 0.36 0.58 0.37 0.00 0.00 175.52 177.02 2k0f h VAL 31 N 0.37 1.21 -0.20 3.16 2.07 -1.24 -1.49 116.25 120.14 2k0f h VAL 31 Ca 0.08 -0.56 -0.14 0.00 0.82 0.00 0.00 66.70 66.91 2k0f h VAL 31 Cb 0.25 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2k0f h VAL 31 CO 0.01 0.24 -0.40 -0.03 0.02 0.00 0.00 177.57 177.40 2k0f h MET 32 N 0.92 0.63 0.00 1.57 -1.53 -0.15 -2.25 114.93 114.12 2k0f h MET 32 Ca 0.24 -0.41 -0.07 0.00 -3.44 0.00 0.00 59.70 56.02 2k0f h MET 32 Cb 0.06 0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.15 2k0f h MET 32 CO -0.04 1.02 -0.32 0.00 0.14 0.00 0.00 176.91 177.72 2k0f h ARG 33 N 0.31 0.00 0.00 0.39 3.08 -0.69 0.00 114.38 117.47 2k0f h ARG 33 Ca 0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2k0f h ARG 33 Cb 1.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 2k0f h ARG 33 CO 0.09 0.32 -0.12 0.77 -1.07 0.00 0.00 179.97 179.96 2k0f h SER 34 N 0.00 0.00 0.00 7.04 0.02 -1.03 -3.14 113.55 116.44 2k0f h SER 34 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2k0f h SER 34 Cb 0.69 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 2k0f h SER 34 CO 0.04 0.12 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.69 2k0f h LEU 35 N 0.00 0.00 0.00 5.07 3.38 -1.17 -3.45 115.31 119.14 2k0f h LEU 35 Ca -0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2k0f h LEU 35 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2k0f h LEU 35 CO 0.02 0.91 0.00 0.61 0.09 0.00 0.00 178.44 180.07 2k0f n GLY 36 N 1.64 -0.49 3.63 0.83 0.00 -0.05 -5.11 105.19 105.64 2k0f n GLY 36 Ca -0.09 0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N 0.00 0.55 -0.89 1.61 0.74 -0.96 -4.96 119.66 115.76 2k0f s GLN 37 Ca 0.00 1.00 -0.06 0.00 0.05 0.00 0.00 55.36 56.35 2k0f s GLN 37 Cb 0.00 0.18 0.22 0.00 1.10 0.00 0.00 33.01 34.51 2k0f s GLN 37 CO 0.00 -0.12 0.79 1.21 -0.55 0.00 0.00 175.29 176.62 2k0f s ASN 38 N 1.64 6.30 0.92 6.67 2.47 -1.26 -3.10 114.94 128.58 2k0f s ASN 38 Ca -0.09 -3.36 -0.14 0.00 0.42 0.00 0.00 52.86 49.69 2k0f s ASN 38 Cb -0.05 -2.02 0.15 0.00 -1.45 0.00 0.00 41.25 37.88 2k0f s ASN 38 CO -0.18 -0.31 1.21 -2.16 -3.72 0.00 0.00 177.10 171.95 2k0f s PRO 39 N -0.83 1.04 0.73 0.43 0.04 -1.26 -5.09 135.00 130.04 2k0f s PRO 39 Ca 0.25 -0.04 -0.05 0.00 0.04 0.00 0.00 61.00 61.20 2k0f s PRO 39 Cb -0.11 -1.86 0.10 0.00 0.04 0.00 0.00 34.50 32.67 2k0f s PRO 39 CO -0.09 -2.21 1.02 0.95 0.04 0.00 0.00 177.00 176.71 2k0f s THR 40 N -3.56 2.25 0.05 1.26 -4.23 -1.26 -4.99 115.64 105.15 2k0f s THR 40 Ca 0.67 -0.39 -0.18 0.00 -1.18 0.00 0.00 61.69 60.62 2k0f s THR 40 Cb -0.09 -2.86 -0.15 0.00 1.34 0.00 0.00 72.50 70.73 2k0f s THR 40 CO 0.52 0.00 1.28 -0.08 -0.54 0.00 0.00 174.62 175.80 2k0f h GLU 41 N -0.64 0.51 -0.92 3.99 4.81 -2.00 -2.44 114.58 117.89 2k0f h GLU 41 Ca -0.42 -0.35 0.24 0.00 -0.13 0.00 0.00 59.36 58.71 2k0f h GLU 41 Cb 1.29 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.59 2k0f h GLU 41 CO 0.50 0.96 0.40 0.00 -0.73 0.00 0.00 179.01 180.14 2k0f h ALA 42 N 0.54 1.51 -0.18 2.92 0.00 -1.99 -1.76 119.26 120.29 2k0f h ALA 42 Ca -0.00 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2k0f h ALA 42 Cb 0.97 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2k0f h ALA 42 CO 0.08 -0.40 -0.07 0.93 0.00 0.00 0.00 179.25 179.79 2k0f h GLU 43 N 0.36 0.27 0.09 0.00 5.08 -1.83 -1.56 114.58 116.99 2k0f h GLU 43 Ca 0.59 -0.05 -0.29 0.00 -1.00 0.00 0.00 59.36 58.61 2k0f h GLU 43 Cb 1.18 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2k0f h GLU 43 CO -0.57 0.36 -1.45 -0.07 -1.00 0.00 0.00 179.01 176.28 2k0f h LEU 44 N 0.26 0.31 -0.90 1.33 3.38 -1.12 -2.65 115.31 115.92 2k0f h LEU 44 Ca 0.06 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.67 2k0f h LEU 44 Cb 0.29 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 2k0f h LEU 44 CO 0.01 1.35 0.57 1.56 0.09 0.00 0.00 178.44 182.01 2k0f h GLN 45 N 0.05 1.01 -0.51 1.13 4.20 -1.40 -0.83 115.11 118.76 2k0f h GLN 45 Ca -0.21 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.35 2k0f h GLN 45 Cb 1.98 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 29.52 2k0f h GLN 45 CO 0.15 0.67 -0.05 0.22 -0.67 0.00 0.00 178.83 179.15 2k0f h ASP 46 N 1.04 0.93 -0.51 1.46 3.58 -1.31 0.56 116.42 122.18 2k0f h ASP 46 Ca 0.39 -0.33 0.08 0.00 0.42 0.00 0.00 57.03 57.59 2k0f h ASP 46 Cb 0.15 -0.25 -0.07 0.00 1.72 0.00 0.00 39.33 40.89 2k0f h ASP 46 CO -0.17 1.04 0.12 0.24 -2.88 0.00 0.00 179.24 177.59 2k0f h MET 47 N 0.80 0.26 0.37 0.28 2.86 -1.09 -2.04 114.93 116.37 2k0f h MET 47 Ca 0.14 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 2k0f h MET 47 Cb 0.59 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2k0f h MET 47 CO 0.04 0.17 -0.18 0.82 1.06 0.00 0.00 176.91 178.82 2k0f h ILE 48 N 0.27 0.43 0.00 -1.22 2.04 -0.97 -3.32 117.51 114.74 2k0f h ILE 48 Ca 0.25 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2k0f h ILE 48 Cb 0.33 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2k0f h ILE 48 CO -0.31 0.09 0.00 0.78 0.00 0.00 0.00 178.15 178.71 2k0f h ASN 49 N -0.97 0.00 0.07 1.72 2.35 0.29 -2.28 115.58 116.76 2k0f h ASN 49 Ca -0.05 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2k0f h ASN 49 Cb 0.53 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.85 2k0f h ASN 49 CO 0.08 0.00 -0.46 -0.08 -1.65 0.00 0.00 177.43 175.32 2k0f h GLU 50 N 0.00 -0.64 0.00 0.81 4.57 -1.47 -3.25 114.58 114.60 2k0f h GLU 50 Ca 0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2k0f h GLU 50 Cb 0.10 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2k0f h GLU 50 CO 0.00 -0.42 -0.95 1.33 -1.18 0.00 0.00 179.01 177.79 2k0f n VAL 51 N -5.47 0.02 -1.81 0.32 0.24 -1.06 -4.80 118.33 105.77 2k0f n VAL 51 Ca -0.07 -0.05 -0.20 0.00 -2.04 0.00 0.00 64.34 61.97 2k0f n VAL 51 Cb 0.39 0.69 -0.08 0.00 -1.47 0.00 0.00 33.84 33.38 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 -3.19 4.29 -0.03 -1.34 2.15 -0.88 -4.80 116.67 112.87 2k0f s ASP 52 Ca 0.07 -0.86 -0.21 0.00 0.43 0.00 0.00 52.55 51.98 2k0f s ASP 52 Cb 0.16 -2.58 -0.29 0.00 -0.30 0.00 0.00 42.92 39.91 2k0f s ASP 52 CO 0.83 -3.73 0.95 0.00 -0.17 0.00 0.00 175.17 173.05 2k0f h ALA 53 N 11.30 -0.05 0.00 3.66 0.00 -1.87 -3.27 119.26 129.02 2k0f h ALA 53 Ca 0.08 -0.67 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 2k0f h ALA 53 Cb 0.98 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2k0f h ALA 53 CO 1.11 0.38 -0.25 0.38 0.00 0.00 0.00 179.25 180.86 2k0f h ASP 54 N -0.29 0.00 0.00 0.00 2.03 -1.95 -3.47 116.42 112.73 2k0f h ASP 54 Ca -0.13 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.17 2k0f h ASP 54 Cb 1.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.07 2k0f h ASP 54 CO 0.15 0.25 0.00 0.61 -1.03 0.00 0.00 179.24 179.22 2k0f n GLY 55 N -0.31 0.72 0.25 7.15 0.00 -1.24 -5.00 105.19 106.77 2k0f n GLY 55 Ca -0.01 -0.68 0.17 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.06 1.61 7.08 -1.91 -3.47 115.58 118.82 2k0f h ASN 56 Ca 0.00 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.21 2k0f h ASN 56 Cb 0.27 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.51 2k0f h ASN 56 CO 0.00 0.00 -0.01 0.61 -2.08 0.00 0.00 177.43 175.95 2k0f n GLY 57 N -0.20 0.38 3.20 9.14 0.00 -1.26 -5.03 105.19 111.42 2k0f n GLY 57 Ca 0.00 -0.95 -0.16 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 -2.03 1.10 -0.43 2.61 -4.23 -1.26 -4.78 115.64 106.62 2k0f s THR 58 Ca 0.00 -1.62 -0.23 0.00 -1.18 0.00 0.00 61.69 58.65 2k0f s THR 58 Cb 0.00 -1.38 0.02 0.00 1.34 0.00 0.00 72.50 72.48 2k0f s THR 58 CO 0.00 -0.47 0.80 -0.51 -0.54 0.00 0.00 174.62 173.90 2k0f s ILE 59 N -2.19 4.65 0.01 2.99 2.07 -1.14 -4.72 121.20 122.88 2k0f s ILE 59 Ca 0.06 0.56 -0.00 0.00 -1.41 0.00 0.00 60.65 59.85 2k0f s ILE 59 Cb -0.04 -4.31 0.00 0.00 0.13 0.00 0.00 42.46 38.24 2k0f s ILE 59 CO 0.01 -0.66 0.02 0.47 -1.91 0.00 0.00 174.94 172.87 2k0f n ASP 60 N 6.69 0.02 0.14 4.50 8.00 -1.26 -1.46 116.55 133.18 2k0f n ASP 60 Ca 0.03 -1.02 -0.13 0.00 0.71 0.00 0.00 54.79 54.38 2k0f n ASP 60 Cb 0.48 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.49 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2k0f h PHE 61 N -0.47 -0.35 0.00 1.24 3.57 -1.86 -1.15 116.94 117.92 2k0f h PHE 61 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2k0f h PHE 61 Cb 0.02 0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.88 2k0f h PHE 61 CO 0.00 -0.01 0.00 -0.35 -2.23 0.00 0.00 178.31 175.72 2k0f n PRO 62 N -5.10 0.24 -0.03 6.41 -0.04 -1.26 -0.95 135.00 134.28 2k0f n PRO 62 Ca -0.09 0.12 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 2k0f n PRO 62 Cb 0.26 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.21 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k0f n GLU 63 N -1.21 0.18 -0.22 0.54 1.02 -1.17 -3.25 120.64 116.53 2k0f n GLU 63 Ca 0.07 0.25 -0.02 0.00 -0.02 0.00 0.00 57.16 57.44 2k0f n GLU 63 Cb 0.09 -1.01 -0.00 0.00 -0.02 0.00 0.00 31.44 30.50 2k0f n GLU 63 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k0f n PHE 64 N -3.17 -0.06 -0.04 -0.32 -0.00 -0.44 -1.50 117.46 111.92 2k0f n PHE 64 Ca -0.04 0.69 -0.09 0.00 -0.00 0.00 0.00 57.45 58.01 2k0f n PHE 64 Cb 0.14 -0.66 -0.03 0.00 -0.00 0.00 0.00 39.48 38.93 2k0f n PHE 64 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2k0f h LEU 65 N 0.00 0.02 -0.68 -2.13 6.46 -1.24 -3.10 115.31 114.63 2k0f h LEU 65 Ca 0.16 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 2k0f h LEU 65 Cb 0.30 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.27 2k0f h LEU 65 CO -0.54 0.04 -0.02 0.00 -0.62 0.00 0.00 178.44 177.30 2k0f h THR 66 N 0.12 0.03 0.18 1.05 1.03 -1.24 -0.26 112.91 113.83 2k0f h THR 66 Ca 0.09 -0.81 -0.01 0.00 -0.01 0.00 0.00 66.41 65.67 2k0f h THR 66 Cb 0.08 1.79 0.00 0.00 -1.07 0.00 0.00 68.15 68.95 2k0f h THR 66 CO -0.12 0.02 -0.09 -0.03 -0.01 0.00 0.00 175.52 175.29 2k0f h MET 67 N 0.00 -0.24 0.00 0.00 1.85 -1.52 -3.30 114.93 111.72 2k0f h MET 67 Ca -0.00 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 2k0f h MET 67 Cb 0.78 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.87 2k0f h MET 67 CO 0.00 0.04 0.00 -1.33 -0.40 0.00 0.00 176.91 175.22 2k0f n MET 68 N -5.08 0.33 0.18 0.39 2.00 -0.90 -3.30 117.12 110.74 2k0f n MET 68 Ca -0.09 0.05 0.12 0.00 0.00 0.00 0.00 57.70 57.77 2k0f n MET 68 Cb 0.21 -1.50 0.13 0.00 0.00 0.00 0.00 33.22 32.06 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0f h ALA 69 N 3.18 0.86 -2.38 3.04 0.00 -1.14 -3.44 119.26 119.38 2k0f h ALA 69 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 2k0f h ALA 69 Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2k0f h ALA 69 CO 0.00 0.00 0.42 1.03 0.00 0.00 0.00 179.25 180.70 2k0f s ARG 70 N -3.25 4.47 -0.09 0.00 0.52 -1.21 -5.01 118.95 114.38 2k0f s ARG 70 Ca 0.05 1.31 -0.30 0.00 -0.52 0.00 0.00 55.73 56.27 2k0f s ARG 70 Cb 0.07 -3.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 2k0f s ARG 70 CO 0.70 -0.17 1.26 0.21 0.02 0.00 0.00 175.30 177.32 2k0f s LYS 71 N 1.49 4.29 0.44 3.54 2.47 -1.26 -5.02 119.74 125.69 2k0f s LYS 71 Ca 0.48 1.72 -0.22 0.00 -1.56 0.00 0.00 55.97 56.38 2k0f s LYS 71 Cb -0.19 -3.66 -0.09 0.00 -1.46 0.00 0.00 37.83 32.43 2k0f s LYS 71 CO 0.21 -0.58 1.03 -1.64 0.16 0.00 0.00 175.35 174.53 2k0f s MET 72 N 2.82 4.01 0.62 4.03 -1.94 -1.26 -5.01 119.30 122.57 2k0f s MET 72 Ca 0.57 1.38 -0.18 0.00 -1.71 0.00 0.00 55.69 55.74 2k0f s MET 72 Cb -0.24 -2.28 -0.02 0.00 2.01 0.00 0.00 34.83 34.29 2k0f s MET 72 CO 0.20 -0.25 1.22 0.21 -0.01 0.00 0.00 175.02 176.38 2k0f s LYS 73 N -2.93 2.81 0.24 2.03 2.20 -1.26 -4.47 119.74 118.36 2k0f s LYS 73 Ca 0.63 1.83 -0.13 0.00 -0.36 0.00 0.00 55.97 57.94 2k0f s LYS 73 Cb -0.17 -1.91 0.32 0.00 -1.51 0.00 0.00 37.83 34.56 2k0f s LYS 73 CO 0.22 -1.33 1.50 -0.40 -0.36 0.00 0.00 175.35 174.97 2k0f n ASP 74 N -1.79 -0.51 -0.06 1.43 5.68 -1.26 -0.54 116.55 119.50 2k0f n ASP 74 Ca 0.14 1.67 -0.15 0.00 -0.50 0.00 0.00 54.79 55.95 2k0f n ASP 74 Cb 0.50 -0.43 -0.06 0.00 -1.14 0.00 0.00 41.12 39.98 2k0f n ASP 74 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2k0f h THR 75 N 0.00 1.32 0.00 2.12 2.02 -1.99 -2.71 112.91 113.66 2k0f h THR 75 Ca 0.39 -1.68 -0.14 0.00 0.77 0.00 0.00 66.41 65.76 2k0f h THR 75 Cb 0.63 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 2k0f h THR 75 CO -0.97 0.52 -0.65 0.44 0.37 0.00 0.00 175.52 175.24 2k0f h ASP 76 N 0.36 0.00 -0.45 4.18 5.19 -1.47 0.97 116.42 125.20 2k0f h ASP 76 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2k0f h ASP 76 Cb 1.06 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 2k0f h ASP 76 CO 0.10 0.65 0.25 -1.28 -3.12 0.00 0.00 179.24 175.84 2k0f h SER 77 N 0.00 0.57 -0.15 6.45 0.87 -0.89 0.57 113.55 120.98 2k0f h SER 77 Ca -0.01 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.46 2k0f h SER 77 Cb 1.26 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2k0f h SER 77 CO 0.08 0.47 -0.13 -0.08 -0.53 0.00 0.00 176.83 176.65 2k0f h GLU 78 N 0.66 0.36 -0.45 2.24 4.81 -1.02 -3.00 114.58 118.17 2k0f h GLU 78 Ca 0.17 -0.18 0.10 0.00 -0.13 0.00 0.00 59.36 59.32 2k0f h GLU 78 Cb 0.03 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2k0f h GLU 78 CO -0.03 0.72 0.31 0.93 -0.73 0.00 0.00 179.01 180.22 2k0f h GLU 79 N -0.00 0.14 0.00 1.92 5.08 -0.38 0.14 114.58 121.48 2k0f h GLU 79 Ca 0.03 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 79 Cb 0.64 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2k0f h GLU 79 CO 0.03 0.09 -0.41 1.49 -1.00 0.00 0.00 179.01 179.22 2k0f h GLU 80 N 0.14 0.00 0.05 2.33 4.81 0.27 0.65 114.58 122.83 2k0f h GLU 80 Ca 0.21 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 2k0f h GLU 80 Cb 0.65 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 2k0f h GLU 80 CO -0.03 0.41 -0.54 0.82 -0.73 0.00 0.00 179.01 178.94 2k0f h ILE 81 N 0.00 1.51 -0.66 2.32 2.04 -0.98 -2.82 117.51 118.92 2k0f h ILE 81 Ca -0.00 -2.38 0.12 0.00 1.00 0.00 0.00 64.86 63.60 2k0f h ILE 81 Cb 0.79 3.10 -0.09 0.00 -0.74 0.00 0.00 36.82 39.89 2k0f h ILE 81 CO 0.05 0.60 0.19 0.03 0.00 0.00 0.00 178.15 179.03 2k0f h ARG 82 N -0.77 0.32 0.00 2.37 3.08 -0.59 -1.73 114.38 117.06 2k0f h ARG 82 Ca -0.12 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 2k0f h ARG 82 Cb 1.29 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 2k0f h ARG 82 CO 0.01 0.21 -0.15 0.93 -1.07 0.00 0.00 179.97 179.90 2k0f h GLU 83 N 0.33 0.00 0.06 0.04 4.39 -0.99 -0.32 114.58 118.09 2k0f h GLU 83 Ca 0.35 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.79 2k0f h GLU 83 Cb 0.52 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2k0f h GLU 83 CO -0.40 0.15 -1.11 0.00 -1.16 0.00 0.00 179.01 176.50 2k0f h ALA 84 N 1.85 0.16 -0.52 3.43 0.00 -1.22 -3.33 119.26 119.64 2k0f h ALA 84 Ca -0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 54.91 54.08 2k0f h ALA 84 Cb 0.75 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2k0f h ALA 84 CO 0.02 0.77 0.04 0.35 0.00 0.00 0.00 179.25 180.43 2k0f h PHE 85 N 0.25 0.96 0.00 0.00 3.57 -0.50 -2.39 116.94 118.83 2k0f h PHE 85 Ca -0.13 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.22 2k0f h PHE 85 Cb 1.77 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.26 2k0f h PHE 85 CO 0.09 0.88 0.00 -2.13 -2.23 0.00 0.00 178.31 174.91 2k0f n ARG 86 N -4.34 0.09 0.11 1.11 0.63 -0.21 -0.09 116.66 113.97 2k0f n ARG 86 Ca 0.01 0.25 -0.23 0.00 -0.92 0.00 0.00 57.85 56.96 2k0f n ARG 86 Cb 0.29 -1.65 -0.15 0.00 0.45 0.00 0.00 32.46 31.41 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2k0f h VAL 87 N 0.00 1.31 -0.22 5.15 2.07 -1.53 -3.39 116.25 119.64 2k0f h VAL 87 Ca 0.00 -2.58 -0.17 0.00 0.82 0.00 0.00 66.70 64.77 2k0f h VAL 87 Cb 0.39 2.94 -0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2k0f h VAL 87 CO 0.00 0.77 -0.56 -0.26 0.02 0.00 0.00 177.57 177.54 2k0f h PHE 88 N 0.12 0.84 -3.58 1.57 0.04 -0.88 -3.40 116.94 111.65 2k0f h PHE 88 Ca -0.22 -0.30 -0.66 0.00 2.80 0.00 0.00 57.97 59.59 2k0f h PHE 88 Cb 2.00 -0.16 -0.16 0.00 2.20 0.00 0.00 35.95 39.83 2k0f h PHE 88 CO 0.13 1.07 -0.06 0.34 -0.60 0.00 0.00 178.31 179.20 2k0f s ASP 89 N -6.94 6.27 -0.18 2.17 2.15 0.88 -4.61 116.67 116.41 2k0f s ASP 89 Ca -0.08 -0.34 -0.17 0.00 0.43 0.00 0.00 52.55 52.39 2k0f s ASP 89 Cb 0.11 -2.27 -0.21 0.00 -0.30 0.00 0.00 42.92 40.25 2k0f s ASP 89 CO 0.86 -0.60 0.26 1.17 -0.17 0.00 0.00 175.17 176.69 2k0f n LYS 90 N 5.84 0.63 0.09 4.34 4.81 -1.26 -4.48 118.16 128.12 2k0f n LYS 90 Ca -0.05 0.47 -0.05 0.00 -0.87 0.00 0.00 58.31 57.81 2k0f n LYS 90 Cb 0.48 -1.73 -0.03 0.00 0.02 0.00 0.00 35.03 33.77 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2k0f h ASP 91 N -0.65 -0.41 0.00 3.14 3.04 -1.94 -3.48 116.42 116.12 2k0f h ASP 91 Ca -0.38 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.44 2k0f h ASP 91 Cb 1.55 0.14 0.00 0.00 -1.04 0.00 0.00 39.33 39.97 2k0f h ASP 91 CO -0.12 -0.20 0.00 0.61 -2.04 0.00 0.00 179.24 177.50 2k0f n GLY 92 N -1.17 1.51 0.18 7.15 0.00 -1.26 -5.03 105.19 106.58 2k0f n GLY 92 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 -1.07 -1.92 -3.48 115.58 110.72 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.01 0.00 0.61 0.07 0.00 0.00 177.43 178.12 2k0f n GLY 94 N 1.13 0.87 2.90 9.14 0.00 -1.26 -5.07 105.19 112.89 2k0f n GLY 94 Ca 0.03 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 1.00 -0.42 1.61 1.51 -1.26 -3.60 117.35 114.19 2k0f s TYR 95 Ca 0.00 -0.35 -0.27 0.00 -1.01 0.00 0.00 57.07 55.44 2k0f s TYR 95 Cb 0.00 -0.86 0.02 0.00 -0.11 0.00 0.00 41.96 41.01 2k0f s TYR 95 CO 0.00 -0.29 1.01 0.42 -1.11 0.00 0.00 175.55 175.58 2k0f s ILE 96 N 1.18 4.43 0.69 2.71 1.01 0.11 -4.81 121.20 126.52 2k0f s ILE 96 Ca -0.06 1.14 0.00 0.00 0.00 0.00 0.00 60.65 61.73 2k0f s ILE 96 Cb -0.14 -4.45 0.11 0.00 0.01 0.00 0.00 42.46 37.99 2k0f s ILE 96 CO -0.01 -0.76 0.95 -0.94 0.00 0.00 0.00 174.94 174.18 2k0f s SER 97 N 2.13 4.53 0.22 3.58 1.04 -1.26 -2.23 113.70 121.72 2k0f s SER 97 Ca 0.42 -0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.45 2k0f s SER 97 Cb -0.10 -0.11 0.21 0.00 0.10 0.00 0.00 66.02 66.12 2k0f s SER 97 CO 0.24 -1.72 1.65 0.00 0.98 0.00 0.00 173.24 174.39 2k0f h ALA 98 N -0.39 0.91 -0.34 5.32 0.00 -1.90 -2.43 119.26 120.43 2k0f h ALA 98 Ca -0.37 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.27 2k0f h ALA 98 Cb 1.27 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 2k0f h ALA 98 CO 0.42 0.62 -0.26 0.00 0.00 0.00 0.00 179.25 180.04 2k0f h ALA 99 N 1.10 -0.08 -0.03 0.00 0.00 -1.97 -2.35 119.26 115.93 2k0f h ALA 99 Ca 0.10 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2k0f h ALA 99 Cb 0.68 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2k0f h ALA 99 CO 0.05 -0.66 -0.51 0.93 0.00 0.00 0.00 179.25 179.06 2k0f h GLU 100 N -0.22 0.07 0.26 0.00 5.08 -1.86 -1.47 114.58 116.44 2k0f h GLU 100 Ca 0.17 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 100 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2k0f h GLU 100 CO -0.46 0.57 -0.12 1.25 -1.00 0.00 0.00 179.01 179.24 2k0f h LEU 101 N 0.06 -0.29 -1.21 1.33 5.85 -1.44 -1.75 115.31 117.86 2k0f h LEU 101 Ca -0.00 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.54 2k0f h LEU 101 Cb 0.93 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 2k0f h LEU 101 CO 0.07 0.09 0.54 -0.09 -0.34 0.00 0.00 178.44 178.71 2k0f h ARG 102 N -0.71 1.01 0.01 1.25 2.43 -1.34 0.12 114.38 117.14 2k0f h ARG 102 Ca -0.04 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2k0f h ARG 102 Cb 0.49 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2k0f h ARG 102 CO 0.06 0.67 -0.04 1.25 -1.51 0.00 0.00 179.97 180.40 2k0f h HIS 103 N 1.04 -0.10 -0.17 2.20 2.76 -1.31 -1.37 115.15 118.20 2k0f h HIS 103 Ca 0.32 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.43 2k0f h HIS 103 Cb -0.01 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 2k0f h HIS 103 CO -0.00 -0.07 -0.12 0.28 -1.30 0.00 0.00 177.93 176.72 2k0f h VAL 104 N -0.08 1.33 -0.91 5.26 2.07 -0.56 -1.26 116.25 122.10 2k0f h VAL 104 Ca 0.02 -1.23 0.20 0.00 0.82 0.00 0.00 66.70 66.50 2k0f h VAL 104 Cb 0.09 1.76 -0.17 0.00 -1.52 0.00 0.00 31.29 31.45 2k0f h VAL 104 CO -0.04 0.37 -0.14 0.24 0.02 0.00 0.00 177.57 178.02 2k0f h MET 105 N 0.05 0.01 -0.16 1.57 2.07 -0.82 -1.97 114.93 115.69 2k0f h MET 105 Ca 0.03 -0.00 -0.17 0.00 -2.07 0.00 0.00 59.70 57.49 2k0f h MET 105 Cb 0.63 -0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.35 2k0f h MET 105 CO 0.03 0.01 -0.60 1.15 1.07 0.00 0.00 176.91 178.57 2k0f h THR 106 N 0.02 1.33 -0.56 2.22 2.02 -1.10 -1.42 112.91 115.42 2k0f h THR 106 Ca 0.47 -1.89 -0.08 0.00 0.77 0.00 0.00 66.41 65.68 2k0f h THR 106 Cb 0.80 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 69.06 2k0f h THR 106 CO -0.90 0.58 0.04 0.78 0.37 0.00 0.00 175.52 176.39 2k0f h ASN 107 N 0.39 0.89 0.64 4.18 2.35 -0.65 -2.66 115.58 120.72 2k0f h ASN 107 Ca -0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2k0f h ASN 107 Cb 1.16 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.29 2k0f h ASN 107 CO 0.11 0.93 0.00 0.18 -1.65 0.00 0.00 177.43 177.00 2k0f n LEU 108 N -4.21 0.00 0.00 1.61 4.77 -0.79 -4.86 117.00 113.51 2k0f n LEU 108 Ca 0.03 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2k0f n LEU 108 Cb 0.30 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2k0f n LEU 108 CO 0.42 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2k0f n GLY 109 N 0.56 0.51 3.84 -0.72 0.00 -1.00 -4.93 105.19 103.45 2k0f n GLY 109 Ca 0.06 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.72 3.78 -0.47 1.61 0.41 -0.57 -5.02 118.70 114.71 2k0f s GLU 110 Ca 0.00 0.21 -0.16 0.00 -0.41 0.00 0.00 54.97 54.61 2k0f s GLU 110 Cb 0.00 -3.22 0.06 0.00 -1.78 0.00 0.00 34.13 29.19 2k0f s GLU 110 CO 0.00 0.69 0.45 0.21 -0.49 0.00 0.00 175.26 176.12 2k0f s LYS 111 N -0.97 3.02 0.13 1.61 2.20 -1.26 -4.06 119.74 120.42 2k0f s LYS 111 Ca 0.20 -1.16 0.05 0.00 -0.36 0.00 0.00 55.97 54.71 2k0f s LYS 111 Cb -0.15 -4.10 -0.04 0.00 -1.51 0.00 0.00 37.83 32.04 2k0f s LYS 111 CO 0.10 -1.04 0.06 -0.51 -0.36 0.00 0.00 175.35 173.60 2k0f s LEU 112 N 1.93 3.63 0.54 5.43 1.02 -1.26 -5.15 118.68 124.81 2k0f s LEU 112 Ca 0.08 -0.16 0.05 0.00 0.02 0.00 0.00 54.13 54.11 2k0f s LEU 112 Cb -0.22 -2.29 0.05 0.00 0.02 0.00 0.00 46.19 43.75 2k0f s LEU 112 CO 0.09 0.12 0.74 0.42 0.02 0.00 0.00 176.35 177.75 2k0f s THR 113 N -1.55 2.60 0.18 5.49 -4.23 -1.26 -5.00 115.64 111.87 2k0f s THR 113 Ca 0.29 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 59.86 2k0f s THR 113 Cb -0.11 -2.78 0.09 0.00 1.34 0.00 0.00 72.50 71.05 2k0f s THR 113 CO 0.21 0.00 1.74 0.44 -0.54 0.00 0.00 174.62 176.47 2k0f h ASP 114 N 0.18 0.89 -0.82 3.99 3.32 -2.01 -1.44 116.42 120.53 2k0f h ASP 114 Ca -0.38 -0.17 0.23 0.00 0.02 0.00 0.00 57.03 56.72 2k0f h ASP 114 Cb 1.29 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 2k0f h ASP 114 CO 0.46 0.82 0.58 -0.33 -1.72 0.00 0.00 179.24 179.05 2k0f h GLU 115 N 0.90 0.08 0.08 3.56 3.07 -1.99 -2.44 114.58 117.85 2k0f h GLU 115 Ca 0.21 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.95 2k0f h GLU 115 Cb 0.21 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.11 2k0f h GLU 115 CO -0.02 0.06 -0.53 0.93 -1.40 0.00 0.00 179.01 178.04 2k0f h GLU 116 N 0.09 0.17 -0.84 2.33 5.08 -1.67 -3.19 114.58 116.55 2k0f h GLU 116 Ca 0.40 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 116 Cb 1.45 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.76 2k0f h GLU 116 CO -0.04 1.14 0.55 0.28 -1.00 0.00 0.00 179.01 179.94 2k0f h VAL 117 N -0.64 1.20 -0.14 3.13 2.07 -1.33 -0.23 116.25 120.30 2k0f h VAL 117 Ca -0.10 -0.38 -0.19 0.00 0.82 0.00 0.00 66.70 66.84 2k0f h VAL 117 Cb 1.38 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2k0f h VAL 117 CO 0.07 0.20 -0.67 -0.78 0.02 0.00 0.00 177.57 176.42 2k0f h ASP 118 N 1.12 0.83 1.21 0.57 3.58 -1.64 -2.45 116.42 119.64 2k0f h ASP 118 Ca 0.31 -0.63 -0.01 0.00 0.42 0.00 0.00 57.03 57.12 2k0f h ASP 118 Cb -0.11 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.70 2k0f h ASP 118 CO -0.08 1.33 -0.06 -0.08 -2.88 0.00 0.00 179.24 177.47 2k0f h GLU 119 N 0.39 0.00 0.17 0.28 4.57 -1.28 0.95 114.58 119.66 2k0f h GLU 119 Ca -0.04 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.87 2k0f h GLU 119 Cb 1.31 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.91 2k0f h GLU 119 CO 0.14 0.06 -1.24 1.98 -1.18 0.00 0.00 179.01 178.77 2k0f h MET 120 N 0.00 0.36 0.17 1.92 4.05 -1.13 0.69 114.93 120.99 2k0f h MET 120 Ca -0.00 -0.62 -0.00 0.00 -0.28 0.00 0.00 59.70 58.80 2k0f h MET 120 Cb 0.68 0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 2k0f h MET 120 CO 0.01 1.30 -0.12 0.82 0.23 0.00 0.00 176.91 179.15 2k0f h ILE 121 N -0.17 0.75 -1.01 1.77 1.08 -1.14 -3.19 117.51 115.61 2k0f h ILE 121 Ca -0.24 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.46 2k0f h ILE 121 Cb 1.86 0.75 -0.11 0.00 -3.07 0.00 0.00 36.82 36.25 2k0f h ILE 121 CO 0.16 0.00 0.61 -0.09 -0.69 0.00 0.00 178.15 178.15 2k0f h ARG 122 N -0.28 0.62 -0.76 2.37 2.43 -0.78 -1.97 114.38 116.00 2k0f h ARG 122 Ca -0.01 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.24 2k0f h ARG 122 Cb 0.25 -0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 29.57 2k0f h ARG 122 CO 0.00 0.41 0.38 1.49 -1.51 0.00 0.00 179.97 180.74 2k0f h GLU 123 N 0.64 0.58 0.16 0.20 4.81 -0.86 -3.17 114.58 116.93 2k0f h GLU 123 Ca 0.60 -0.03 -0.35 0.00 -0.13 0.00 0.00 59.36 59.45 2k0f h GLU 123 Cb 1.11 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.36 2k0f h GLU 123 CO -0.40 0.38 -1.76 0.00 -0.73 0.00 0.00 179.01 176.50 2k0f h ALA 124 N 1.49 0.24 -1.95 2.92 0.00 -1.36 -3.47 119.26 117.13 2k0f h ALA 124 Ca 0.39 -1.19 -0.63 0.00 0.00 0.00 0.00 54.91 53.48 2k0f h ALA 124 Cb 0.48 0.48 0.07 0.00 0.00 0.00 0.00 17.79 18.82 2k0f h ALA 124 CO -0.31 1.11 0.44 -3.47 0.00 0.00 0.00 179.25 177.02 2k0f n ASP 125 N -3.53 1.94 -0.12 0.00 2.03 -1.00 -4.80 116.55 111.06 2k0f n ASP 125 Ca -0.24 1.13 -0.22 0.00 0.52 0.00 0.00 54.79 55.98 2k0f n ASP 125 Cb 1.07 -1.29 -0.08 0.00 -0.72 0.00 0.00 41.12 40.10 2k0f n ASP 125 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2k0f n ILE 126 N 1.94 1.52 -0.01 5.18 2.08 -1.26 -4.84 119.36 123.97 2k0f n ILE 126 Ca 0.15 -0.17 -0.17 0.00 0.56 0.00 0.00 62.75 63.12 2k0f n ILE 126 Cb 0.26 -2.06 -0.13 0.00 -0.75 0.00 0.00 39.64 36.96 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 2k0f h ASP 127 N -1.00 0.25 0.00 4.38 3.04 -1.93 -3.48 116.42 117.67 2k0f h ASP 127 Ca -0.43 -0.94 0.00 0.00 -3.24 0.00 0.00 57.03 52.42 2k0f h ASP 127 Cb 1.35 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.56 2k0f h ASP 127 CO -0.26 1.17 0.00 0.61 -2.04 0.00 0.00 179.24 178.72 2k0f n GLY 128 N 1.54 0.75 0.17 7.15 0.00 -1.26 -5.05 105.19 108.49 2k0f n GLY 128 Ca -0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 0.65 0.00 1.61 2.03 -1.99 -3.48 116.42 115.25 2k0f h ASP 129 Ca 0.00 -0.52 0.00 0.00 -0.73 0.00 0.00 57.03 55.78 2k0f h ASP 129 Cb 0.00 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.30 2k0f h ASP 129 CO 0.00 1.32 0.00 0.61 -1.03 0.00 0.00 179.24 180.14 2k0f n GLY 130 N 0.99 1.00 3.26 7.15 0.00 -1.26 -5.10 105.19 111.23 2k0f n GLY 130 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.18 1.78 -0.32 1.61 -0.21 -1.26 -4.73 119.66 116.35 2k0f s GLN 131 Ca 0.00 -0.85 -0.22 0.00 0.02 0.00 0.00 55.36 54.31 2k0f s GLN 131 Cb 0.00 -1.76 -0.00 0.00 1.00 0.00 0.00 33.01 32.24 2k0f s GLN 131 CO 0.00 0.48 0.70 0.08 -2.12 0.00 0.00 175.29 174.42 2k0f s VAL 132 N -0.59 4.87 0.49 1.09 1.01 -0.95 -4.87 120.40 121.46 2k0f s VAL 132 Ca 0.09 0.94 0.07 0.00 0.00 0.00 0.00 61.98 63.08 2k0f s VAL 132 Cb -0.09 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.24 2k0f s VAL 132 CO -0.00 -0.22 0.47 0.54 0.00 0.00 0.00 175.10 175.88 2k0f s ASN 133 N 1.66 4.93 0.22 3.32 2.20 -1.26 0.10 114.94 126.11 2k0f s ASN 133 Ca 0.28 -0.93 -0.09 0.00 -0.94 0.00 0.00 52.86 51.19 2k0f s ASN 133 Cb -0.14 -0.08 0.25 0.00 -2.00 0.00 0.00 41.25 39.27 2k0f s ASN 133 CO 0.13 -0.94 1.83 0.22 -2.94 0.00 0.00 177.10 175.41 2k0f h TYR 134 N 0.77 0.81 -0.68 1.54 3.20 -1.97 0.04 116.97 120.68 2k0f h TYR 134 Ca -0.38 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.62 2k0f h TYR 134 Cb 1.28 -0.26 -0.08 0.00 1.54 0.00 0.00 36.73 39.22 2k0f h TYR 134 CO 0.66 0.42 0.30 1.49 -1.64 0.00 0.00 178.16 179.39 2k0f h GLU 135 N 0.82 0.48 -0.04 1.82 4.81 -1.96 0.22 114.58 120.74 2k0f h GLU 135 Ca 0.31 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.37 2k0f h GLU 135 Cb 0.12 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.40 2k0f h GLU 135 CO -0.15 0.32 -0.52 0.93 -0.73 0.00 0.00 179.01 178.86 2k0f h GLU 136 N 0.50 0.42 -0.38 1.92 5.08 -1.73 -2.79 114.58 117.59 2k0f h GLU 136 Ca 0.34 -0.40 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 2k0f h GLU 136 Cb 0.42 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 2k0f h GLU 136 CO -0.31 1.06 -0.19 0.35 -1.00 0.00 0.00 179.01 178.93 2k0f h PHE 137 N -0.07 -0.46 -0.93 4.33 3.57 -0.22 -1.99 116.94 121.16 2k0f h PHE 137 Ca -0.06 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.49 2k0f h PHE 137 Cb 1.21 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 40.17 2k0f h PHE 137 CO 0.14 -0.27 0.61 0.28 -2.23 0.00 0.00 178.31 176.84 2k0f h VAL 138 N -0.12 1.24 0.00 1.41 2.07 -0.65 -2.12 116.25 118.08 2k0f h VAL 138 Ca 0.19 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2k0f h VAL 138 Cb 0.41 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 2k0f h VAL 138 CO -0.46 0.24 -0.06 1.56 0.02 0.00 0.00 177.57 178.87 2k0f h GLN 139 N 1.27 0.00 -0.10 1.57 4.20 -1.16 -1.05 115.11 119.84 2k0f h GLN 139 Ca 0.34 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.87 2k0f h GLN 139 Cb -0.13 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2k0f h GLN 139 CO -0.07 0.06 -0.68 1.98 -0.67 0.00 0.00 178.83 179.44 2k0f h MET 140 N 0.00 0.41 0.12 1.46 4.05 -0.70 -3.36 114.93 116.92 2k0f h MET 140 Ca -0.00 -0.32 -0.19 0.00 -0.28 0.00 0.00 59.70 58.91 2k0f h MET 140 Cb 0.22 0.06 0.01 0.00 -0.80 0.00 0.00 31.60 31.09 2k0f h MET 140 CO 0.01 0.94 -0.87 0.52 0.23 0.00 0.00 176.91 177.74 2k0f h MET 141 N 0.29 0.26 0.00 0.39 2.86 -0.91 -3.52 114.93 114.31 2k0f h MET 141 Ca -0.02 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 2k0f h MET 141 Cb 1.24 0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.07 2k0f h MET 141 CO 0.12 1.21 0.00 0.25 1.06 0.00 0.00 176.91 179.55