#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 0.75 -0.45 -0.78 4.81 -2.05 -0.02 114.58 116.84 2k0f h GLU 2 Ca 0.00 -0.38 0.03 0.00 -0.13 0.00 0.00 59.36 58.88 2k0f h GLU 2 Cb 0.00 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2k0f h GLU 2 CO 0.00 1.00 0.30 0.93 -0.73 0.00 0.00 179.01 180.51 2k0f h GLU 3 N 0.51 0.49 -0.06 1.92 5.08 -2.07 0.98 114.58 121.43 2k0f h GLU 3 Ca 0.06 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 3 Cb 0.84 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2k0f h GLU 3 CO 0.07 0.33 -0.12 1.96 -1.00 0.00 0.00 179.01 180.24 2k0f h GLN 4 N 0.51 0.20 -0.50 2.33 4.20 -1.95 -3.30 115.11 116.59 2k0f h GLN 4 Ca 0.18 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.79 2k0f h GLN 4 Cb 0.09 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2k0f h GLN 4 CO -0.04 0.71 0.30 0.82 -0.67 0.00 0.00 178.83 179.94 2k0f h ILE 5 N -0.29 1.05 -0.90 2.54 1.08 -0.88 -2.33 117.51 117.79 2k0f h ILE 5 Ca 0.00 -0.21 0.20 0.00 -0.39 0.00 0.00 64.86 64.47 2k0f h ILE 5 Cb 0.70 0.40 -0.17 0.00 -3.07 0.00 0.00 36.82 34.68 2k0f h ILE 5 CO 0.03 0.11 -0.14 0.00 -0.69 0.00 0.00 178.15 177.45 2k0f h ALA 6 N 1.22 0.74 -0.19 1.87 0.00 -0.92 0.26 119.26 122.23 2k0f h ALA 6 Ca 0.20 0.34 -0.17 0.00 0.00 0.00 0.00 54.91 55.28 2k0f h ALA 6 Cb 0.02 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2k0f h ALA 6 CO -0.09 -0.43 -0.58 0.93 0.00 0.00 0.00 179.25 179.08 2k0f h GLU 7 N 0.02 0.62 0.24 0.00 5.08 -1.50 -1.61 114.58 117.43 2k0f h GLU 7 Ca 0.46 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 7 Cb 0.78 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2k0f h GLU 7 CO -0.89 1.02 -0.11 0.74 -1.00 0.00 0.00 179.01 178.76 2k0f h PHE 8 N 0.47 -0.30 -0.96 4.33 0.04 -1.48 -1.62 116.94 117.42 2k0f h PHE 8 Ca 0.00 -0.01 0.30 0.00 2.80 0.00 0.00 57.97 61.07 2k0f h PHE 8 Cb 1.14 0.10 -0.17 0.00 2.20 0.00 0.00 35.95 39.22 2k0f h PHE 8 CO 0.05 -0.16 0.27 -0.22 -0.60 0.00 0.00 178.31 177.66 2k0f h LYS 9 N -0.36 0.10 -0.21 1.51 3.64 -0.44 0.40 116.57 121.21 2k0f h LYS 9 Ca -0.03 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2k0f h LYS 9 Cb 0.27 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2k0f h LYS 9 CO 0.05 0.06 0.12 1.49 -2.27 0.00 0.00 179.45 178.91 2k0f h GLU 10 N 0.10 0.29 -0.11 1.90 4.57 -0.58 -1.77 114.58 118.98 2k0f h GLU 10 Ca 0.66 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.81 2k0f h GLU 10 Cb 1.49 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.02 2k0f h GLU 10 CO -0.77 0.24 0.06 0.00 -1.18 0.00 0.00 179.01 177.35 2k0f h ALA 11 N 1.03 0.15 -0.56 2.92 0.00 -0.37 0.18 119.26 122.61 2k0f h ALA 11 Ca 0.07 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2k0f h ALA 11 Cb 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2k0f h ALA 11 CO -0.01 -0.29 0.11 0.35 0.00 0.00 0.00 179.25 179.40 2k0f h PHE 12 N 0.06 0.92 -0.45 0.00 3.57 -0.87 -1.99 116.94 118.18 2k0f h PHE 12 Ca 0.04 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.36 2k0f h PHE 12 Cb 0.11 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 2k0f h PHE 12 CO -0.03 0.78 -0.04 0.77 -2.23 0.00 0.00 178.31 177.56 2k0f h SER 13 N 0.84 0.81 -0.13 0.41 0.02 -1.23 -3.20 113.55 111.07 2k0f h SER 13 Ca 0.18 -0.33 0.05 0.00 -0.84 0.00 0.00 61.79 60.85 2k0f h SER 13 Cb 0.35 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 2k0f h SER 13 CO 0.00 0.95 -0.33 0.25 -1.14 0.00 0.00 176.83 176.56 2k0f h LEU 14 N 0.66 -1.02 -0.58 5.07 5.85 -0.24 -3.29 115.31 121.76 2k0f h LEU 14 Ca 0.12 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 2k0f h LEU 14 Cb 0.56 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2k0f h LEU 14 CO 0.03 -0.36 -0.20 -0.26 -0.34 0.00 0.00 178.44 177.31 2k0f h PHE 15 N -0.40 0.00 -3.76 1.25 0.04 -1.43 -3.45 116.94 109.18 2k0f h PHE 15 Ca 0.10 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 60.38 2k0f h PHE 15 Cb 0.55 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 2k0f h PHE 15 CO -0.41 0.20 0.13 0.34 -0.60 0.00 0.00 178.31 177.96 2k0f s ASP 16 N -6.19 6.75 0.00 2.17 -1.08 -1.21 -4.52 116.67 112.59 2k0f s ASP 16 Ca 0.03 1.30 0.17 0.00 -0.52 0.00 0.00 52.55 53.53 2k0f s ASP 16 Cb 0.08 -2.38 0.28 0.00 -1.46 0.00 0.00 42.92 39.43 2k0f s ASP 16 CO 0.66 -0.25 1.19 0.29 0.52 0.00 0.00 175.17 177.58 2k0f n LYS 17 N -0.55 1.98 -0.04 4.34 4.76 -1.26 -4.50 118.16 122.90 2k0f n LYS 17 Ca 0.04 -1.87 -0.09 0.00 -2.87 0.00 0.00 58.31 53.52 2k0f n LYS 17 Cb 0.53 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 32.33 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 1.03 1.15 -0.09 4.39 8.00 -1.26 -5.04 116.55 124.72 2k0f n ASP 18 Ca 0.13 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.82 2k0f n ASP 18 Cb 0.47 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 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 2.43 1.06 0.07 0.44 0.00 -1.26 -5.04 105.19 102.88 2k0f n GLY 19 Ca -0.15 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.00 0.00 1.61 2.03 -1.96 -3.48 116.42 114.62 2k0f h ASP 20 Ca 0.00 -0.57 0.00 0.00 -0.73 0.00 0.00 57.03 55.73 2k0f h ASP 20 Cb 0.56 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 2k0f h ASP 20 CO 0.00 0.89 0.00 0.61 -1.03 0.00 0.00 179.24 179.71 2k0f n GLY 21 N 1.64 0.62 3.34 7.15 0.00 -1.26 -5.11 105.19 111.57 2k0f n GLY 21 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N 0.00 3.11 -0.05 2.61 -4.23 -1.26 -3.43 115.64 112.40 2k0f s THR 22 Ca 0.00 -0.62 -0.18 0.00 -1.18 0.00 0.00 61.69 59.71 2k0f s THR 22 Cb 0.00 -2.35 -0.05 0.00 1.34 0.00 0.00 72.50 71.44 2k0f s THR 22 CO 0.00 0.49 0.50 -0.63 -0.54 0.00 0.00 174.62 174.44 2k0f s ILE 23 N 0.80 5.04 0.51 2.99 1.01 -0.05 -4.95 121.20 126.56 2k0f s ILE 23 Ca -0.04 1.02 0.03 0.00 0.00 0.00 0.00 60.65 61.66 2k0f s ILE 23 Cb -0.15 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.52 2k0f s ILE 23 CO 0.01 0.43 0.72 0.42 0.00 0.00 0.00 174.94 176.52 2k0f s THR 24 N -0.14 2.88 0.29 2.92 -4.23 -1.26 -2.73 115.64 113.37 2k0f s THR 24 Ca 0.27 -0.72 0.12 0.00 -1.18 0.00 0.00 61.69 60.18 2k0f s THR 24 Cb -0.17 -3.05 0.03 0.00 1.34 0.00 0.00 72.50 70.65 2k0f s THR 24 CO 0.13 -0.03 1.69 0.71 -0.54 0.00 0.00 174.62 176.58 2k0f h THR 25 N 0.22 1.32 -0.07 3.99 1.35 -1.94 -2.61 112.91 115.18 2k0f h THR 25 Ca -0.42 -1.81 -0.18 0.00 -0.55 0.00 0.00 66.41 63.45 2k0f h THR 25 Cb 1.29 1.99 -0.01 0.00 -1.73 0.00 0.00 68.15 69.69 2k0f h THR 25 CO 0.51 0.51 -0.73 0.07 -0.25 0.00 0.00 175.52 175.64 2k0f h LYS 26 N 0.00 0.35 0.18 4.72 2.10 -1.96 0.93 116.57 122.89 2k0f h LYS 26 Ca -0.01 -0.29 0.01 0.00 -2.00 0.00 0.00 60.65 58.37 2k0f h LYS 26 Cb 0.95 0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 32.30 2k0f h LYS 26 CO 0.07 0.93 -0.38 0.93 -2.00 0.00 0.00 179.45 179.00 2k0f h GLU 27 N 0.24 -0.63 -0.47 0.07 5.08 -1.89 -0.68 114.58 116.29 2k0f h GLU 27 Ca -0.03 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2k0f h GLU 27 Cb 1.30 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.64 2k0f h GLU 27 CO 0.12 -0.42 0.18 -0.07 -1.00 0.00 0.00 179.01 177.82 2k0f h LEU 28 N -0.66 0.20 -2.03 1.33 3.38 -1.39 -1.95 115.31 114.19 2k0f h LEU 28 Ca 0.01 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.13 2k0f h LEU 28 Cb 0.66 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2k0f h LEU 28 CO -0.19 0.15 0.39 1.23 0.09 0.00 0.00 178.44 180.11 2k0f h GLY 29 N 0.36 0.00 0.33 0.83 0.00 -0.75 -2.23 103.07 101.61 2k0f h GLY 29 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 2k0f h GLY 29 CO -0.21 0.00 -0.10 -0.84 0.00 0.00 0.00 176.54 175.39 2k0f h THR 30 N 0.00 1.58 -0.03 4.70 2.02 -0.31 -2.94 112.91 117.93 2k0f h THR 30 Ca 0.16 -1.84 0.02 0.00 0.77 0.00 0.00 66.41 65.52 2k0f h THR 30 Cb 0.94 2.79 -0.03 0.00 -1.74 0.00 0.00 68.15 70.11 2k0f h THR 30 CO -0.00 0.49 -0.12 0.58 0.37 0.00 0.00 175.52 176.84 2k0f h VAL 31 N -0.65 0.70 0.35 3.16 2.07 -1.41 0.04 116.25 120.51 2k0f h VAL 31 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2k0f h VAL 31 Cb 0.86 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2k0f h VAL 31 CO 0.02 0.00 -0.36 0.24 0.02 0.00 0.00 177.57 177.49 2k0f h MET 32 N -0.19 -0.71 -0.58 1.57 2.86 -1.53 -2.64 114.93 113.71 2k0f h MET 32 Ca 0.05 0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.82 2k0f h MET 32 Cb 0.26 0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 2k0f h MET 32 CO -0.14 -0.48 0.38 -0.09 1.06 0.00 0.00 176.91 177.65 2k0f h ARG 33 N -0.74 0.45 -0.49 1.72 2.43 -1.47 0.29 114.38 116.57 2k0f h ARG 33 Ca -0.02 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2k0f h ARG 33 Cb 0.67 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 2k0f h ARG 33 CO -0.07 0.30 0.30 0.77 -1.51 0.00 0.00 179.97 179.76 2k0f h SER 34 N 0.46 0.50 0.01 -3.80 0.02 -0.77 -3.18 113.55 106.80 2k0f h SER 34 Ca 0.26 -0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.98 2k0f h SER 34 Cb 0.41 -0.11 0.02 0.00 0.14 0.00 0.00 62.40 62.86 2k0f h SER 34 CO -0.07 0.36 -0.88 -0.07 -1.14 0.00 0.00 176.83 175.02 2k0f h LEU 35 N 0.61 0.75 0.00 5.07 3.38 -1.03 -3.45 115.31 120.64 2k0f h LEU 35 Ca 0.19 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2k0f h LEU 35 Cb -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2k0f h LEU 35 CO -0.07 1.42 0.00 0.61 0.09 0.00 0.00 178.44 180.49 2k0f n GLY 36 N 1.11 -0.20 3.43 0.83 0.00 0.96 -5.10 105.19 106.22 2k0f n GLY 36 Ca -0.11 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 1.12 -0.90 1.61 -2.07 -1.15 -4.95 119.66 113.33 2k0f s GLN 37 Ca 0.00 -0.21 -0.01 0.00 -1.82 0.00 0.00 55.36 53.31 2k0f s GLN 37 Cb 0.00 0.52 0.23 0.00 -1.09 0.00 0.00 33.01 32.66 2k0f s GLN 37 CO 0.00 -0.43 0.81 0.09 -1.32 0.00 0.00 175.29 174.45 2k0f n ASN 38 N 0.25 4.26 -4.15 12.60 3.02 -1.26 -3.64 115.26 126.34 2k0f n ASN 38 Ca -0.18 -3.16 -0.29 0.00 -0.03 0.00 0.00 54.58 50.92 2k0f n ASN 38 Cb 0.61 -1.04 0.22 0.00 -0.61 0.00 0.00 39.78 38.97 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k0f s PRO 39 N -1.50 -0.79 0.26 3.52 0.04 -1.26 -5.09 135.00 130.18 2k0f s PRO 39 Ca 0.28 0.22 0.03 0.00 0.04 0.00 0.00 61.00 61.57 2k0f s PRO 39 Cb -0.05 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.83 2k0f s PRO 39 CO -0.12 -3.49 0.41 0.95 0.04 0.00 0.00 177.00 174.80 2k0f s THR 40 N -2.89 5.22 0.28 1.26 -4.23 -1.26 -5.02 115.64 109.00 2k0f s THR 40 Ca 0.69 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 60.44 2k0f s THR 40 Cb -0.14 -3.84 0.07 0.00 1.34 0.00 0.00 72.50 69.92 2k0f s THR 40 CO 0.57 -0.36 1.72 -0.33 -0.54 0.00 0.00 174.62 175.69 2k0f h GLU 41 N 1.20 0.50 -0.63 3.99 5.08 -1.98 -3.11 114.58 119.64 2k0f h GLU 41 Ca -0.51 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 57.71 2k0f h GLU 41 Cb 1.22 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 2k0f h GLU 41 CO 0.62 0.70 0.37 0.00 -1.00 0.00 0.00 179.01 179.70 2k0f h ALA 42 N 1.30 0.82 -0.10 3.43 0.00 -2.00 -2.94 119.26 119.78 2k0f h ALA 42 Ca 0.07 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 2k0f h ALA 42 Cb 0.66 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.31 2k0f h ALA 42 CO 0.05 0.08 -0.86 1.05 0.00 0.00 0.00 179.25 179.57 2k0f h GLU 43 N 0.71 0.76 -0.07 0.00 4.11 -1.96 -2.05 114.58 116.08 2k0f h GLU 43 Ca 0.26 -0.68 -0.10 0.00 0.07 0.00 0.00 59.36 58.91 2k0f h GLU 43 Cb 0.09 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2k0f h GLU 43 CO -0.14 1.28 -0.43 -0.07 0.07 0.00 0.00 179.01 179.72 2k0f h LEU 44 N 0.47 0.16 0.09 3.06 3.38 -1.56 -0.94 115.31 119.98 2k0f h LEU 44 Ca -0.08 -0.07 -0.29 0.00 0.09 0.00 0.00 57.88 57.53 2k0f h LEU 44 Cb 1.50 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 42.24 2k0f h LEU 44 CO 0.17 0.58 -1.22 -0.61 0.09 0.00 0.00 178.44 177.45 2k0f h GLN 45 N 0.13 0.61 -0.45 1.13 5.75 -1.52 -1.29 115.11 119.47 2k0f h GLN 45 Ca 0.01 -0.80 -0.02 0.00 -0.15 0.00 0.00 58.65 57.69 2k0f h GLN 45 Cb 0.82 0.26 -0.02 0.00 1.07 0.00 0.00 27.48 29.61 2k0f h GLN 45 CO 0.06 1.36 0.20 0.22 -2.65 0.00 0.00 178.83 178.02 2k0f h ASP 46 N 0.28 0.57 0.07 -0.69 3.58 -1.32 0.58 116.42 119.50 2k0f h ASP 46 Ca -0.18 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.21 2k0f h ASP 46 Cb 1.89 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.79 2k0f h ASP 46 CO 0.23 0.51 -0.04 -0.03 -2.88 0.00 0.00 179.24 177.03 2k0f h MET 47 N 0.63 -0.10 -0.95 0.28 4.05 -0.99 -3.14 114.93 114.71 2k0f h MET 47 Ca 0.16 0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.73 2k0f h MET 47 Cb 0.10 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 30.84 2k0f h MET 47 CO -0.02 0.28 0.60 0.82 0.23 0.00 0.00 176.91 178.83 2k0f h ILE 48 N -0.49 0.85 -0.21 1.77 2.04 -1.07 -2.97 117.51 117.42 2k0f h ILE 48 Ca -0.01 -0.28 -0.11 0.00 1.00 0.00 0.00 64.86 65.46 2k0f h ILE 48 Cb 0.42 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2k0f h ILE 48 CO 0.02 0.15 -0.34 -1.13 0.00 0.00 0.00 178.15 176.84 2k0f h ASN 49 N 0.82 0.47 -0.75 1.72 -1.24 -0.83 0.33 115.58 116.10 2k0f h ASN 49 Ca 0.49 -0.19 0.01 0.00 0.71 0.00 0.00 56.30 57.32 2k0f h ASN 49 Cb 0.66 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.54 2k0f h ASN 49 CO -0.25 0.78 0.50 -0.08 -1.29 0.00 0.00 177.43 177.09 2k0f h GLU 50 N 0.39 0.98 0.08 6.67 4.81 -1.54 -3.02 114.58 122.95 2k0f h GLU 50 Ca 0.04 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.04 2k0f h GLU 50 Cb 0.79 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2k0f h GLU 50 CO 0.06 0.65 -0.86 0.28 -0.73 0.00 0.00 179.01 178.41 2k0f h VAL 51 N 1.01 1.36 -0.75 0.32 2.07 -1.48 -3.47 116.25 115.31 2k0f h VAL 51 Ca 0.28 -2.40 -0.71 0.00 0.82 0.00 0.00 66.70 64.68 2k0f h VAL 51 Cb -0.11 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2k0f h VAL 51 CO -0.06 0.64 1.35 -0.67 0.02 0.00 0.00 177.57 178.85 2k0f n ASP 52 N -4.22 1.68 -0.00 0.57 2.03 0.11 -4.88 116.55 111.84 2k0f n ASP 52 Ca -0.19 0.54 -0.16 0.00 0.52 0.00 0.00 54.79 55.50 2k0f n ASP 52 Cb 0.75 -1.13 -0.14 0.00 -0.72 0.00 0.00 41.12 39.88 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N 8.77 1.11 0.04 -1.67 0.00 -1.26 -4.71 120.51 122.78 2k0f n ALA 53 Ca 0.45 -0.64 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 2k0f n ALA 53 Cb 0.13 -0.76 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 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 0.05 -0.09 0.00 0.00 3.04 -1.95 -3.49 116.42 113.97 2k0f h ASP 54 Ca -0.37 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.43 2k0f h ASP 54 Cb 2.03 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 40.34 2k0f h ASP 54 CO 0.09 -0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.90 2k0f n GLY 55 N 0.75 -0.01 0.09 7.15 0.00 -1.26 -5.05 105.19 106.86 2k0f n GLY 55 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.83 0.00 1.61 0.23 -1.26 -5.00 115.26 111.68 2k0f n ASN 56 Ca 0.00 0.37 0.00 0.00 -0.53 0.00 0.00 54.58 54.42 2k0f n ASN 56 Cb 0.00 0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.40 0.79 3.29 4.83 0.00 -1.26 -5.07 105.19 109.17 2k0f n GLY 57 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.08 1.81 -0.24 2.61 -4.23 -1.26 -4.82 115.64 107.42 2k0f s THR 58 Ca 0.00 -1.36 -0.29 0.00 -1.18 0.00 0.00 61.69 58.86 2k0f s THR 58 Cb 0.00 -1.59 0.01 0.00 1.34 0.00 0.00 72.50 72.26 2k0f s THR 58 CO 0.00 0.17 1.09 -0.51 -0.54 0.00 0.00 174.62 174.82 2k0f s ILE 59 N -0.90 4.57 0.78 2.99 2.07 -1.11 -4.82 121.20 124.78 2k0f s ILE 59 Ca 0.09 1.87 -0.08 0.00 -1.41 0.00 0.00 60.65 61.12 2k0f s ILE 59 Cb -0.09 -4.29 0.17 0.00 0.13 0.00 0.00 42.46 38.38 2k0f s ILE 59 CO 0.03 -0.25 1.06 0.47 -1.91 0.00 0.00 174.94 174.34 2k0f n ASP 60 N 6.53 0.67 0.05 4.50 9.92 -1.26 -0.87 116.55 136.09 2k0f n ASP 60 Ca 0.12 -1.74 -0.13 0.00 -0.53 0.00 0.00 54.79 52.51 2k0f n ASP 60 Cb 0.46 -0.76 -0.09 0.00 -0.64 0.00 0.00 41.12 40.10 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2k0f h PHE 61 N -1.14 -0.10 0.00 1.24 3.57 -1.95 -1.07 116.94 117.48 2k0f h PHE 61 Ca -0.35 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.15 2k0f h PHE 61 Cb 1.10 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2k0f h PHE 61 CO 0.00 0.19 -0.20 -1.00 -2.23 0.00 0.00 178.31 175.08 2k0f h PRO 62 N -0.39 0.00 -0.38 6.41 0.13 -1.96 0.33 132.00 136.14 2k0f h PRO 62 Ca -0.01 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.02 2k0f h PRO 62 Cb 0.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 2k0f h PRO 62 CO 0.02 0.00 -0.14 0.93 -0.23 0.00 0.00 178.00 178.58 2k0f h GLU 63 N 0.00 0.76 -0.92 0.86 5.08 -1.92 -1.06 114.58 117.38 2k0f h GLU 63 Ca 0.00 -0.31 0.03 0.00 -1.00 0.00 0.00 59.36 58.07 2k0f h GLU 63 Cb 0.90 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 2k0f h GLU 63 CO 0.00 0.93 0.61 0.35 -1.00 0.00 0.00 179.01 179.89 2k0f h PHE 64 N 0.56 1.13 -0.93 4.33 3.57 -0.54 -1.45 116.94 123.61 2k0f h PHE 64 Ca 0.09 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2k0f h PHE 64 Cb 0.67 -0.38 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 2k0f h PHE 64 CO 0.05 0.67 0.58 -0.07 -2.23 0.00 0.00 178.31 177.31 2k0f h LEU 65 N 1.18 1.11 0.79 0.59 3.38 -0.93 0.66 115.31 122.10 2k0f h LEU 65 Ca 0.36 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 2k0f h LEU 65 Cb -0.03 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.45 2k0f h LEU 65 CO -0.10 0.84 -0.38 0.74 0.09 0.00 0.00 178.44 179.63 2k0f h THR 66 N 1.28 0.00 -0.68 0.22 2.02 -1.11 -2.26 112.91 112.39 2k0f h THR 66 Ca 0.34 -0.05 0.13 0.00 0.77 0.00 0.00 66.41 67.60 2k0f h THR 66 Cb -0.08 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.24 2k0f h THR 66 CO -0.07 0.00 0.21 -0.03 0.37 0.00 0.00 175.52 176.01 2k0f h MET 67 N -1.11 0.34 0.16 6.66 1.85 -1.14 -3.11 114.93 118.58 2k0f h MET 67 Ca -0.11 -0.02 -0.29 0.00 -0.61 0.00 0.00 59.70 58.67 2k0f h MET 67 Cb 0.82 -0.08 0.02 0.00 0.43 0.00 0.00 31.60 32.79 2k0f h MET 67 CO 0.18 0.22 -1.31 1.98 -0.40 0.00 0.00 176.91 177.59 2k0f h MET 68 N 0.35 0.39 0.00 0.39 -1.53 -0.84 -3.18 114.93 110.51 2k0f h MET 68 Ca 0.36 -0.64 0.00 0.00 -3.44 0.00 0.00 59.70 55.98 2k0f h MET 68 Cb 0.55 0.23 0.00 0.00 -0.55 0.00 0.00 31.60 31.83 2k0f h MET 68 CO -0.41 1.30 0.00 0.00 0.14 0.00 0.00 176.91 177.94 2k0f n ALA 69 N -2.60 2.42 -2.28 0.39 0.00 -0.85 -4.72 120.51 112.86 2k0f n ALA 69 Ca -0.11 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 2k0f n ALA 69 Cb 1.04 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.00 3.84 0.17 0.00 3.52 -1.20 -5.04 118.95 118.24 2k0f s ARG 70 Ca 0.30 1.42 -0.19 0.00 -0.13 0.00 0.00 55.73 57.13 2k0f s ARG 70 Cb 0.14 -3.96 -0.08 0.00 -1.56 0.00 0.00 34.95 29.50 2k0f s ARG 70 CO 0.23 -1.22 0.67 0.15 -0.81 0.00 0.00 175.30 174.32 2k0f s LYS 71 N 4.43 4.23 0.00 5.12 1.02 -1.26 -5.09 119.74 128.19 2k0f s LYS 71 Ca 0.63 0.80 0.00 0.00 0.02 0.00 0.00 55.97 57.43 2k0f s LYS 71 Cb -0.20 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2k0f s LYS 71 CO 0.26 0.48 0.00 -1.33 -0.92 0.00 0.00 175.35 173.84 2k0f n MET 72 N 1.02 2.54 -1.90 1.68 2.81 -1.26 -5.11 117.12 116.89 2k0f n MET 72 Ca -0.05 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.55 2k0f n MET 72 Cb 0.51 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 33.11 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k0f s LYS 73 N -0.09 1.88 0.19 0.03 1.02 -1.26 -4.92 119.74 116.59 2k0f s LYS 73 Ca 0.00 0.08 0.09 0.00 0.02 0.00 0.00 55.97 56.16 2k0f s LYS 73 Cb 0.00 -1.94 0.01 0.00 -0.52 0.00 0.00 37.83 35.37 2k0f s LYS 73 CO 0.00 -1.65 1.40 -0.44 -0.92 0.00 0.00 175.35 173.74 2k0f h ASP 74 N -1.10 0.00 0.32 2.83 5.19 -1.99 -1.89 116.42 119.78 2k0f h ASP 74 Ca -0.46 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 55.81 2k0f h ASP 74 Cb 1.32 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.82 2k0f h ASP 74 CO 0.64 0.83 -0.57 0.71 -3.12 0.00 0.00 179.24 177.73 2k0f h THR 75 N 0.00 1.37 -0.70 0.35 1.35 -2.01 -2.85 112.91 110.42 2k0f h THR 75 Ca -0.01 -1.89 -0.05 0.00 -0.55 0.00 0.00 66.41 63.92 2k0f h THR 75 Cb 1.52 1.93 -0.03 0.00 -1.73 0.00 0.00 68.15 69.84 2k0f h THR 75 CO 0.11 0.56 0.25 0.44 -0.25 0.00 0.00 175.52 176.63 2k0f h ASP 76 N 0.20 0.98 0.76 5.36 3.32 -1.82 -3.18 116.42 122.03 2k0f h ASP 76 Ca -0.00 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.77 2k0f h ASP 76 Cb 1.05 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 2k0f h ASP 76 CO 0.09 0.89 -0.56 0.28 -1.72 0.00 0.00 179.24 178.21 2k0f h SER 77 N 1.03 0.00 0.09 6.45 0.02 -1.26 -1.96 113.55 117.92 2k0f h SER 77 Ca 0.23 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.96 2k0f h SER 77 Cb 0.24 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.79 2k0f h SER 77 CO -0.01 0.56 -0.85 -0.08 -1.14 0.00 0.00 176.83 175.30 2k0f h GLU 78 N 0.00 0.60 0.00 3.45 4.81 -1.55 -2.99 114.58 118.90 2k0f h GLU 78 Ca -0.01 -0.55 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 2k0f h GLU 78 Cb 1.10 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 2k0f h GLU 78 CO 0.07 1.17 -0.06 1.49 -0.73 0.00 0.00 179.01 180.95 2k0f h GLU 79 N 0.38 0.00 0.28 1.92 4.81 -1.45 0.36 114.58 120.88 2k0f h GLU 79 Ca -0.07 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2k0f h GLU 79 Cb 1.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.86 2k0f h GLU 79 CO 0.16 0.06 -0.13 1.49 -0.73 0.00 0.00 179.01 179.85 2k0f h GLU 80 N 0.00 -0.36 -0.37 1.92 4.81 -1.22 0.34 114.58 119.69 2k0f h GLU 80 Ca -0.00 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 2k0f h GLU 80 Cb 0.15 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2k0f h GLU 80 CO 0.01 -0.13 -0.21 0.82 -0.73 0.00 0.00 179.01 178.77 2k0f h ILE 81 N -0.54 1.27 -0.24 2.32 2.04 -1.43 -1.08 117.51 119.84 2k0f h ILE 81 Ca -0.04 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 2k0f h ILE 81 Cb 0.40 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2k0f h ILE 81 CO 0.06 0.43 0.09 0.03 0.00 0.00 0.00 178.15 178.77 2k0f h ARG 82 N 0.64 0.37 0.00 2.37 3.08 -0.91 -0.18 114.38 119.74 2k0f h ARG 82 Ca 0.09 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2k0f h ARG 82 Cb 0.70 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 2k0f h ARG 82 CO 0.05 0.42 -0.07 0.93 -1.07 0.00 0.00 179.97 180.23 2k0f h GLU 83 N 0.24 0.00 0.17 0.04 4.39 0.15 0.81 114.58 120.38 2k0f h GLU 83 Ca 0.08 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.48 2k0f h GLU 83 Cb 0.19 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2k0f h GLU 83 CO -0.01 0.07 -1.35 0.00 -1.16 0.00 0.00 179.01 176.56 2k0f h ALA 84 N 1.93 0.04 -0.66 3.43 0.00 -1.11 -3.12 119.26 119.76 2k0f h ALA 84 Ca -0.00 -0.91 0.10 0.00 0.00 0.00 0.00 54.91 54.10 2k0f h ALA 84 Cb 0.19 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 2k0f h ALA 84 CO 0.01 0.91 0.28 0.35 0.00 0.00 0.00 179.25 180.80 2k0f h PHE 85 N 0.10 0.50 -0.00 0.00 3.57 -0.45 -2.60 116.94 118.05 2k0f h PHE 85 Ca -0.18 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.35 2k0f h PHE 85 Cb 2.04 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 40.66 2k0f h PHE 85 CO 0.08 0.14 0.00 -0.09 -2.23 0.00 0.00 178.31 176.22 2k0f h ARG 86 N 0.48 0.00 -0.02 1.11 2.43 -0.82 0.35 114.38 117.92 2k0f h ARG 86 Ca 0.34 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.27 2k0f h ARG 86 Cb 0.41 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2k0f h ARG 86 CO -0.31 0.00 -0.91 0.28 -1.51 0.00 0.00 179.97 177.53 2k0f h VAL 87 N 0.00 1.31 -0.37 0.20 2.07 -1.41 -3.33 116.25 114.72 2k0f h VAL 87 Ca 0.00 -2.17 -0.11 0.00 0.82 0.00 0.00 66.70 65.24 2k0f h VAL 87 Cb 0.01 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2k0f h VAL 87 CO -0.00 0.66 -0.21 -0.26 0.02 0.00 0.00 177.57 177.79 2k0f h PHE 88 N 0.29 0.92 -3.58 1.57 0.04 -1.32 -3.40 116.94 111.46 2k0f h PHE 88 Ca -0.11 -0.24 -0.64 0.00 2.80 0.00 0.00 57.97 59.78 2k0f h PHE 88 Cb 1.57 -0.21 -0.14 0.00 2.20 0.00 0.00 35.95 39.37 2k0f h PHE 88 CO 0.11 0.99 0.14 0.34 -0.60 0.00 0.00 178.31 179.29 2k0f s ASP 89 N -6.53 6.37 -0.12 2.17 2.15 0.12 -4.74 116.67 116.09 2k0f s ASP 89 Ca -0.12 -0.10 -0.06 0.00 0.43 0.00 0.00 52.55 52.70 2k0f s ASP 89 Cb 0.10 -2.32 -0.02 0.00 -0.30 0.00 0.00 42.92 40.38 2k0f s ASP 89 CO 0.84 -0.70 -0.12 0.50 -0.17 0.00 0.00 175.17 175.52 2k0f h LYS 90 N 8.69 0.00 0.02 4.34 3.64 -1.80 -3.43 116.57 128.04 2k0f h LYS 90 Ca -0.26 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.13 2k0f h LYS 90 Cb 1.10 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 2k0f h LYS 90 CO 0.87 0.00 -0.33 0.38 -2.27 0.00 0.00 179.45 178.10 2k0f h ASP 91 N -0.91 -1.01 0.00 4.20 3.04 -1.94 -3.48 116.42 116.33 2k0f h ASP 91 Ca 0.00 0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.90 2k0f h ASP 91 Cb 0.33 0.38 0.00 0.00 -1.04 0.00 0.00 39.33 39.00 2k0f h ASP 91 CO 0.00 -0.33 0.00 0.61 -2.04 0.00 0.00 179.24 177.48 2k0f n GLY 92 N -1.29 -0.83 0.00 7.15 0.00 -1.26 -5.01 105.19 103.95 2k0f n GLY 92 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -3.27 1.61 6.94 -1.26 -4.92 115.26 114.37 2k0f n ASN 93 Ca 0.00 -0.08 -0.24 0.00 -0.02 0.00 0.00 54.58 54.25 2k0f n ASN 93 Cb 0.00 -0.28 0.04 0.00 -2.36 0.00 0.00 39.78 37.18 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 0.80 -0.52 3.27 4.83 0.00 -1.26 -5.06 105.19 107.25 2k0f n GLY 94 Ca 0.12 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.19 1.83 -0.18 1.61 1.51 -1.26 -4.28 117.35 113.38 2k0f s TYR 95 Ca 0.41 -0.39 -0.06 0.00 -1.01 0.00 0.00 57.07 56.01 2k0f s TYR 95 Cb -0.19 -1.05 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 2k0f s TYR 95 CO 0.51 0.15 0.04 0.42 -1.11 0.00 0.00 175.55 175.56 2k0f s ILE 96 N -0.97 4.51 0.40 2.71 1.01 0.14 -4.81 121.20 124.19 2k0f s ILE 96 Ca 0.07 -0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.67 2k0f s ILE 96 Cb -0.09 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.34 2k0f s ILE 96 CO 0.03 0.45 0.48 -0.94 0.00 0.00 0.00 174.94 174.96 2k0f s SER 97 N 0.53 5.50 0.39 3.58 1.04 -1.26 -1.07 113.70 122.41 2k0f s SER 97 Ca 0.02 -0.48 0.06 0.00 0.48 0.00 0.00 55.95 56.02 2k0f s SER 97 Cb -0.13 -0.74 0.79 0.00 0.10 0.00 0.00 66.02 66.04 2k0f s SER 97 CO 0.01 -0.65 2.02 0.00 0.98 0.00 0.00 173.24 175.60 2k0f h ALA 98 N 0.83 1.63 -0.99 5.32 0.00 -1.95 -2.42 119.26 121.68 2k0f h ALA 98 Ca -0.42 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.54 2k0f h ALA 98 Cb 1.27 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 2k0f h ALA 98 CO 0.51 0.32 0.63 0.00 0.00 0.00 0.00 179.25 180.70 2k0f h ALA 99 N 1.68 1.54 0.06 0.00 0.00 -1.95 -2.73 119.26 117.86 2k0f h ALA 99 Ca 0.15 0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 99 Cb 0.01 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.60 2k0f h ALA 99 CO -0.03 0.23 -1.09 0.93 0.00 0.00 0.00 179.25 179.30 2k0f h GLU 100 N 0.99 0.43 0.00 0.00 5.08 -1.84 -3.32 114.58 115.92 2k0f h GLU 100 Ca 0.48 -0.54 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 2k0f h GLU 100 Cb 0.46 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2k0f h GLU 100 CO -0.24 1.20 -0.81 1.25 -1.00 0.00 0.00 179.01 179.40 2k0f h LEU 101 N 0.20 0.00 -0.74 1.33 5.85 -1.19 -3.15 115.31 117.61 2k0f h LEU 101 Ca -0.12 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.77 2k0f h LEU 101 Cb 1.75 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.67 2k0f h LEU 101 CO 0.19 0.81 0.16 0.03 -0.34 0.00 0.00 178.44 179.29 2k0f h ARG 102 N 0.00 0.23 0.36 1.25 3.08 -1.58 -1.49 114.38 116.23 2k0f h ARG 102 Ca -0.01 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2k0f h ARG 102 Cb 1.56 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.53 2k0f h ARG 102 CO 0.11 0.15 -0.41 0.45 -1.07 0.00 0.00 179.97 179.20 2k0f h HIS 103 N 0.24 -1.13 -0.37 3.04 3.86 -1.65 -3.11 115.15 116.03 2k0f h HIS 103 Ca 0.42 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.62 2k0f h HIS 103 Cb 0.74 0.45 -0.02 0.00 1.06 0.00 0.00 27.41 29.63 2k0f h HIS 103 CO -0.28 -0.56 0.14 0.28 0.86 0.00 0.00 177.93 178.37 2k0f h VAL 104 N -0.81 1.15 -0.36 2.45 2.07 -1.39 0.51 116.25 119.87 2k0f h VAL 104 Ca -0.03 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2k0f h VAL 104 Cb 0.73 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2k0f h VAL 104 CO -0.09 0.18 0.13 0.24 0.02 0.00 0.00 177.57 178.05 2k0f h MET 105 N 0.53 0.55 -0.10 1.57 2.07 -1.36 -1.31 114.93 116.89 2k0f h MET 105 Ca 0.13 -0.11 -0.21 0.00 -2.07 0.00 0.00 59.70 57.44 2k0f h MET 105 Cb 0.13 -0.09 0.01 0.00 -1.87 0.00 0.00 31.60 29.79 2k0f h MET 105 CO -0.01 0.56 -0.77 1.15 1.07 0.00 0.00 176.91 178.90 2k0f h THR 106 N 0.44 1.30 -0.26 2.22 2.02 -1.28 0.67 112.91 118.03 2k0f h THR 106 Ca 0.12 -2.01 -0.11 0.00 0.77 0.00 0.00 66.41 65.18 2k0f h THR 106 Cb 0.22 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 2k0f h THR 106 CO -0.01 0.63 -0.29 0.78 0.37 0.00 0.00 175.52 177.00 2k0f h ASN 107 N 0.38 0.53 -0.03 4.18 2.35 -0.01 -3.08 115.58 119.90 2k0f h ASN 107 Ca -0.07 -0.20 -0.13 0.00 -0.55 0.00 0.00 56.30 55.35 2k0f h ASN 107 Cb 1.42 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 39.65 2k0f h ASN 107 CO 0.16 0.81 -0.50 -0.07 -1.65 0.00 0.00 177.43 176.17 2k0f h LEU 108 N 0.45 0.50 0.00 1.61 3.38 -1.30 -3.41 115.31 116.55 2k0f h LEU 108 Ca 0.06 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.31 2k0f h LEU 108 Cb 0.74 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2k0f h LEU 108 CO 0.06 1.15 0.00 0.61 0.09 0.00 0.00 178.44 180.35 2k0f n GLY 109 N 0.93 1.96 3.76 0.83 0.00 0.13 -5.09 105.19 107.71 2k0f n GLY 109 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.17 4.50 -1.15 1.61 0.41 -0.59 -4.94 118.70 118.38 2k0f s GLU 110 Ca 0.00 1.98 -0.10 0.00 -0.41 0.00 0.00 54.97 56.44 2k0f s GLU 110 Cb 0.00 -3.16 0.25 0.00 -1.78 0.00 0.00 34.13 29.44 2k0f s GLU 110 CO 0.00 -0.01 1.27 1.63 -0.49 0.00 0.00 175.26 177.66 2k0f n LYS 111 N 1.41 3.61 -4.20 1.61 5.02 -1.26 -4.83 118.16 119.52 2k0f n LYS 111 Ca 0.01 -4.28 -0.12 0.00 -2.02 0.00 0.00 58.31 51.90 2k0f n LYS 111 Cb 0.44 -2.68 -0.10 0.00 -0.02 0.00 0.00 35.03 32.66 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k0f s LEU 112 N -0.72 2.26 0.88 -0.35 1.43 -1.26 -5.17 118.68 115.75 2k0f s LEU 112 Ca 0.34 -1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 52.21 2k0f s LEU 112 Cb -0.06 -0.03 0.13 0.00 0.03 0.00 0.00 46.19 46.26 2k0f s LEU 112 CO -0.04 -0.54 1.20 0.42 0.23 0.00 0.00 176.35 177.63 2k0f s THR 113 N -3.68 1.98 0.08 5.49 -4.23 -1.26 -5.00 115.64 109.03 2k0f s THR 113 Ca 0.19 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.53 2k0f s THR 113 Cb 0.06 -2.93 -0.11 0.00 1.34 0.00 0.00 72.50 70.86 2k0f s THR 113 CO -0.00 0.00 1.38 -0.78 -0.54 0.00 0.00 174.62 174.68 2k0f h ASP 114 N -1.34 0.66 -0.87 3.99 3.58 -2.02 -3.13 116.42 117.29 2k0f h ASP 114 Ca -0.47 -0.50 0.23 0.00 0.42 0.00 0.00 57.03 56.72 2k0f h ASP 114 Cb 1.31 -0.19 -0.15 0.00 1.72 0.00 0.00 39.33 42.02 2k0f h ASP 114 CO 0.57 1.03 0.13 -0.08 -2.88 0.00 0.00 179.24 178.01 2k0f h GLU 115 N 0.31 0.12 0.00 0.28 4.81 -2.01 -1.93 114.58 116.17 2k0f h GLU 115 Ca 0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 115 Cb 0.86 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2k0f h GLU 115 CO 0.07 0.08 0.00 0.39 -0.73 0.00 0.00 179.01 178.82 2k0f n GLU 116 N -5.32 0.12 -0.02 1.92 1.02 -1.18 -1.54 120.64 115.64 2k0f n GLU 116 Ca 0.20 0.15 -0.16 0.00 -0.02 0.00 0.00 57.16 57.33 2k0f n GLU 116 Cb 0.65 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.46 2k0f n GLU 116 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2k0f h VAL 117 N 0.00 1.47 -0.67 2.62 2.07 -1.46 -2.15 116.25 118.13 2k0f h VAL 117 Ca 0.00 -1.95 -0.07 0.00 0.82 0.00 0.00 66.70 65.50 2k0f h VAL 117 Cb 0.25 2.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 2k0f h VAL 117 CO 0.00 0.55 0.14 0.44 0.02 0.00 0.00 177.57 178.72 2k0f h ASP 118 N -0.25 1.04 -0.67 0.57 3.32 -1.45 -0.53 116.42 118.45 2k0f h ASP 118 Ca -0.05 -0.25 0.13 0.00 0.02 0.00 0.00 57.03 56.89 2k0f h ASP 118 Cb 1.13 -0.28 -0.09 0.00 0.22 0.00 0.00 39.33 40.31 2k0f h ASP 118 CO 0.08 1.02 0.18 -0.08 -1.72 0.00 0.00 179.24 178.72 2k0f h GLU 119 N 1.02 0.30 0.01 3.56 4.81 -1.27 -0.51 114.58 122.49 2k0f h GLU 119 Ca 0.21 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 119 Cb 0.40 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2k0f h GLU 119 CO 0.01 0.20 -0.87 1.98 -0.73 0.00 0.00 179.01 179.59 2k0f h MET 120 N 0.31 0.07 0.19 1.92 4.05 -1.05 -1.23 114.93 119.19 2k0f h MET 120 Ca 0.36 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 2k0f h MET 120 Cb 0.55 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 2k0f h MET 120 CO -0.42 0.90 -0.09 0.82 0.23 0.00 0.00 176.91 178.34 2k0f h ILE 121 N 0.04 0.88 0.00 1.77 1.08 -0.56 -2.63 117.51 118.09 2k0f h ILE 121 Ca -0.02 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.05 2k0f h ILE 121 Cb 1.52 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 36.35 2k0f h ILE 121 CO 0.12 0.08 -0.21 0.03 -0.69 0.00 0.00 178.15 177.48 2k0f h ARG 122 N -0.43 0.00 0.17 2.37 3.08 -0.89 -0.18 114.38 118.49 2k0f h ARG 122 Ca -0.03 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.03 2k0f h ARG 122 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2k0f h ARG 122 CO 0.04 0.21 -0.19 1.49 -1.07 0.00 0.00 179.97 180.45 2k0f h GLU 123 N 0.00 -0.38 -0.06 0.04 4.81 -1.20 -3.31 114.58 114.49 2k0f h GLU 123 Ca -0.00 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 123 Cb 0.50 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2k0f h GLU 123 CO 0.03 -0.25 -0.16 0.00 -0.73 0.00 0.00 179.01 177.89 2k0f h ALA 124 N 0.38 0.10 -1.40 2.92 0.00 -1.34 -3.44 119.26 116.48 2k0f h ALA 124 Ca 0.01 -0.37 -0.65 0.00 0.00 0.00 0.00 54.91 53.90 2k0f h ALA 124 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2k0f h ALA 124 CO -0.06 0.02 1.37 -3.47 0.00 0.00 0.00 179.25 177.11 2k0f n ASP 125 N -4.59 2.53 -0.13 0.00 2.03 -0.09 -4.88 116.55 111.41 2k0f n ASP 125 Ca -0.08 0.48 -0.27 0.00 0.52 0.00 0.00 54.79 55.44 2k0f n ASP 125 Cb 0.40 -1.33 -0.11 0.00 -0.72 0.00 0.00 41.12 39.37 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 6.92 1.53 -0.09 5.18 5.41 -1.26 -4.62 119.36 132.42 2k0f n ILE 126 Ca 0.36 -0.41 -0.09 0.00 1.00 0.00 0.00 62.75 63.61 2k0f n ILE 126 Cb 0.27 -1.79 -0.03 0.00 -0.71 0.00 0.00 39.64 37.38 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -0.76 -1.15 0.00 4.38 3.04 -1.93 -3.48 116.42 116.51 2k0f h ASP 127 Ca -0.65 0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 2k0f h ASP 127 Cb 1.67 0.52 0.00 0.00 -1.04 0.00 0.00 39.33 40.48 2k0f h ASP 127 CO -0.33 -0.34 0.00 0.61 -2.04 0.00 0.00 179.24 177.14 2k0f n GLY 128 N -1.42 1.57 0.02 7.15 0.00 -1.26 -5.03 105.19 106.22 2k0f n GLY 128 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 0.62 0.00 1.61 5.68 -1.26 -4.94 116.55 118.26 2k0f n ASP 129 Ca 0.00 -0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.07 2k0f n ASP 129 Cb 0.00 0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 130 N 1.42 0.45 3.31 6.12 0.00 -1.26 -5.05 105.19 110.17 2k0f n GLY 130 Ca 0.04 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.94 1.23 -0.29 1.61 -0.21 -1.26 -4.29 119.66 115.51 2k0f s GLN 131 Ca 0.00 -1.50 -0.02 0.00 0.02 0.00 0.00 55.36 53.86 2k0f s GLN 131 Cb 0.00 -1.02 0.04 0.00 1.00 0.00 0.00 33.01 33.04 2k0f s GLN 131 CO 0.00 0.17 -0.01 0.08 -2.12 0.00 0.00 175.29 173.42 2k0f s VAL 132 N -2.85 3.02 0.00 1.09 1.01 -0.23 -4.56 120.40 117.87 2k0f s VAL 132 Ca 0.19 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.86 2k0f s VAL 132 Cb -0.01 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2k0f s VAL 132 CO 0.05 -0.06 0.00 -0.46 0.00 0.00 0.00 175.10 174.63 2k0f n ASN 133 N 4.64 -0.48 0.10 3.32 0.23 -1.26 0.27 115.26 122.08 2k0f n ASN 133 Ca -0.14 -0.34 -0.07 0.00 -0.53 0.00 0.00 54.58 53.50 2k0f n ASN 133 Cb 0.44 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.10 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 -1.00 -0.33 -0.90 -2.53 3.20 -2.00 -3.17 116.97 110.25 2k0f h TYR 134 Ca 0.00 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.99 2k0f h TYR 134 Cb 0.00 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.31 2k0f h TYR 134 CO 0.00 -0.14 0.58 1.49 -1.64 0.00 0.00 178.16 178.44 2k0f h GLU 135 N -1.07 0.75 0.00 1.82 4.57 -1.97 -0.90 114.58 117.78 2k0f h GLU 135 Ca -0.04 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 2k0f h GLU 135 Cb 0.33 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2k0f h GLU 135 CO 0.06 0.50 -0.23 0.93 -1.18 0.00 0.00 179.01 179.09 2k0f h GLU 136 N 0.77 0.00 -0.12 1.92 5.08 -1.92 -2.37 114.58 117.95 2k0f h GLU 136 Ca 0.44 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.75 2k0f h GLU 136 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2k0f h GLU 136 CO -0.20 0.23 -0.13 0.35 -1.00 0.00 0.00 179.01 178.26 2k0f h PHE 137 N 0.00 0.35 0.02 4.33 3.57 -1.15 -3.35 116.94 120.72 2k0f h PHE 137 Ca -0.00 -0.11 -0.24 0.00 3.53 0.00 0.00 57.97 61.15 2k0f h PHE 137 Cb 0.64 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 2k0f h PHE 137 CO 0.00 0.71 -1.16 0.28 -2.23 0.00 0.00 178.31 175.91 2k0f h VAL 138 N -0.11 1.53 -0.64 1.41 2.07 -1.08 -3.21 116.25 116.22 2k0f h VAL 138 Ca 0.02 -3.24 -0.03 0.00 0.82 0.00 0.00 66.70 64.26 2k0f h VAL 138 Cb 0.66 2.79 -0.03 0.00 -1.52 0.00 0.00 31.29 33.19 2k0f h VAL 138 CO 0.03 0.89 0.28 -0.61 0.02 0.00 0.00 177.57 178.17 2k0f h GLN 139 N 0.01 0.92 0.00 1.57 4.15 -1.61 -0.80 115.11 119.36 2k0f h GLN 139 Ca -0.08 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.20 2k0f h GLN 139 Cb 1.84 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.37 2k0f h GLN 139 CO 0.13 0.74 0.00 0.52 -1.93 0.00 0.00 178.83 178.29 2k0f h MET 140 N 0.91 0.00 0.00 1.69 2.86 -1.68 -3.15 114.93 115.56 2k0f h MET 140 Ca 0.22 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.65 2k0f h MET 140 Cb 0.15 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 2k0f h MET 140 CO -0.02 0.00 -1.73 -1.33 1.06 0.00 0.00 176.91 174.89 2k0f n MET 141 N -2.95 0.64 0.00 1.72 2.81 -0.32 -5.15 117.12 113.88 2k0f n MET 141 Ca -0.00 0.14 0.15 0.00 -1.81 0.00 0.00 57.70 56.18 2k0f n MET 141 Cb 0.23 -1.71 0.67 0.00 -0.71 0.00 0.00 33.22 31.69 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73