#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 0.19 -0.77 1.09 3.07 -2.06 -2.20 114.58 113.89 2k0f h GLU 2 Ca 0.00 -0.02 0.18 0.00 -0.50 0.00 0.00 59.36 59.02 2k0f h GLU 2 Cb 0.00 -0.04 -0.12 0.00 -0.84 0.00 0.00 28.75 27.75 2k0f h GLU 2 CO 0.00 0.18 0.18 1.49 -1.40 0.00 0.00 179.01 179.46 2k0f h GLU 3 N 0.15 0.24 0.00 2.33 4.57 -2.06 -2.40 114.58 117.41 2k0f h GLU 3 Ca 0.05 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.04 2k0f h GLU 3 Cb 0.04 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 2k0f h GLU 3 CO -0.01 0.16 -0.95 1.96 -1.18 0.00 0.00 179.01 178.99 2k0f h GLN 4 N 0.25 0.00 -0.46 1.92 4.20 -1.95 -2.72 115.11 116.34 2k0f h GLN 4 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 2k0f h GLN 4 Cb 0.80 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 2k0f h GLN 4 CO -0.56 0.67 0.31 0.82 -0.67 0.00 0.00 178.83 179.40 2k0f h ILE 5 N 0.00 1.12 -0.62 2.54 1.08 -0.92 0.17 117.51 120.88 2k0f h ILE 5 Ca -0.06 -0.22 0.03 0.00 -0.39 0.00 0.00 64.86 64.22 2k0f h ILE 5 Cb 1.63 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 35.78 2k0f h ILE 5 CO 0.09 0.12 0.37 0.00 -0.69 0.00 0.00 178.15 178.04 2k0f h ALA 6 N 1.17 0.80 -0.31 1.87 0.00 -1.42 -0.06 119.26 121.31 2k0f h ALA 6 Ca 0.17 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2k0f h ALA 6 Cb -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2k0f h ALA 6 CO -0.04 0.11 -0.08 1.49 0.00 0.00 0.00 179.25 180.73 2k0f h GLU 7 N 0.73 0.60 0.00 0.00 4.81 -1.29 -2.56 114.58 116.88 2k0f h GLU 7 Ca 0.25 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 2k0f h GLU 7 Cb 0.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2k0f h GLU 7 CO -0.11 0.79 -0.37 0.74 -0.73 0.00 0.00 179.01 179.33 2k0f h PHE 8 N 0.37 0.00 0.17 0.92 0.04 -0.46 -2.13 116.94 115.85 2k0f h PHE 8 Ca 0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 2k0f h PHE 8 Cb 0.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.72 2k0f h PHE 8 CO 0.05 0.37 -0.08 -0.22 -0.60 0.00 0.00 178.31 177.83 2k0f h LYS 9 N 0.00 -0.22 -0.52 1.51 3.64 -0.83 -2.60 116.57 117.55 2k0f h LYS 9 Ca -0.00 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2k0f h LYS 9 Cb 0.72 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.53 2k0f h LYS 9 CO 0.05 0.08 0.23 0.93 -2.27 0.00 0.00 179.45 178.47 2k0f h GLU 10 N -0.54 0.42 0.10 1.90 4.39 -1.38 -1.50 114.58 117.97 2k0f h GLU 10 Ca -0.02 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.67 2k0f h GLU 10 Cb 0.41 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 2k0f h GLU 10 CO 0.04 0.28 -0.25 0.00 -1.16 0.00 0.00 179.01 177.92 2k0f h ALA 11 N 1.32 -0.40 -0.79 3.43 0.00 -1.40 -3.05 119.26 118.36 2k0f h ALA 11 Ca 0.24 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.26 2k0f h ALA 11 Cb 0.22 0.40 -0.14 0.00 0.00 0.00 0.00 17.79 18.27 2k0f h ALA 11 CO -0.21 -0.78 -0.31 0.35 0.00 0.00 0.00 179.25 178.30 2k0f h PHE 12 N -0.44 -0.83 0.00 0.00 3.04 -1.38 -1.89 116.94 115.44 2k0f h PHE 12 Ca 0.03 0.08 0.00 0.00 3.98 0.00 0.00 57.97 62.07 2k0f h PHE 12 Cb 0.47 0.48 0.00 0.00 2.56 0.00 0.00 35.95 39.47 2k0f h PHE 12 CO -0.24 -0.38 0.00 0.43 -2.02 0.00 0.00 178.31 176.10 2k0f n SER 13 N -5.48 0.00 0.10 0.41 7.64 -0.57 -1.99 113.62 113.73 2k0f n SER 13 Ca 0.09 -0.62 -0.15 0.00 1.01 0.00 0.00 58.87 59.19 2k0f n SER 13 Cb 0.39 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.45 2k0f n SER 13 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k0f h LEU 14 N 0.00 0.40 0.10 -3.43 3.38 -1.35 -3.35 115.31 111.05 2k0f h LEU 14 Ca 0.00 -0.43 -0.34 0.00 0.09 0.00 0.00 57.88 57.20 2k0f h LEU 14 Cb 0.00 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2k0f h LEU 14 CO 0.00 1.34 -1.90 -0.26 0.09 0.00 0.00 178.44 177.71 2k0f h PHE 15 N 0.07 0.37 -3.01 1.13 0.04 -1.58 -3.42 116.94 110.54 2k0f h PHE 15 Ca -0.13 -0.27 -0.55 0.00 2.80 0.00 0.00 57.97 59.82 2k0f h PHE 15 Cb 1.96 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 40.03 2k0f h PHE 15 CO 0.06 1.57 1.04 0.34 -0.60 0.00 0.00 178.31 180.72 2k0f s ASP 16 N -6.81 6.29 0.23 2.17 2.15 -1.11 -4.73 116.67 114.86 2k0f s ASP 16 Ca -0.17 0.22 0.19 0.00 0.43 0.00 0.00 52.55 53.21 2k0f s ASP 16 Cb 0.07 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 40.18 2k0f s ASP 16 CO 0.79 -1.59 1.20 0.50 -0.17 0.00 0.00 175.17 175.90 2k0f h LYS 17 N 10.32 0.00 -0.09 4.34 3.64 -1.88 -3.11 116.57 129.78 2k0f h LYS 17 Ca -0.26 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.90 2k0f h LYS 17 Cb 1.08 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2k0f h LYS 17 CO 1.18 0.22 -0.79 -0.44 -2.27 0.00 0.00 179.45 177.35 2k0f h ASP 18 N 0.00 0.86 -2.22 4.20 3.32 -1.94 -3.48 116.42 117.16 2k0f h ASP 18 Ca -0.05 -0.67 -0.13 0.00 0.02 0.00 0.00 57.03 56.20 2k0f h ASP 18 Cb 1.27 -0.26 0.03 0.00 0.22 0.00 0.00 39.33 40.60 2k0f h ASP 18 CO 0.03 1.40 -0.21 0.61 -1.72 0.00 0.00 179.24 179.35 2k0f n GLY 19 N 0.84 0.38 0.05 2.75 0.00 -1.18 -5.01 105.19 103.01 2k0f n GLY 19 Ca -0.09 -0.42 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.69 0.00 0.00 1.61 2.03 -1.93 -3.49 116.42 113.95 2k0f h ASP 20 Ca -0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.12 2k0f h ASP 20 Cb 1.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 2k0f h ASP 20 CO 0.19 0.50 0.00 0.61 -1.03 0.00 0.00 179.24 179.51 2k0f n GLY 21 N 1.71 -0.54 2.97 7.15 0.00 -1.26 -5.10 105.19 110.12 2k0f n GLY 21 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 0.27 -0.32 2.61 -4.23 -1.26 -1.96 115.64 110.75 2k0f s THR 22 Ca 0.00 -0.58 -0.09 0.00 -1.18 0.00 0.00 61.69 59.84 2k0f s THR 22 Cb 0.00 -0.32 0.00 0.00 1.34 0.00 0.00 72.50 73.52 2k0f s THR 22 CO 0.00 -0.20 0.15 -0.63 -0.54 0.00 0.00 174.62 173.40 2k0f s ILE 23 N -0.77 4.49 0.63 2.99 1.01 -0.27 -4.82 121.20 124.45 2k0f s ILE 23 Ca -0.06 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 2k0f s ILE 23 Cb -0.06 -3.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.08 2k0f s ILE 23 CO -0.00 0.02 0.98 0.42 0.00 0.00 0.00 174.94 176.37 2k0f s THR 24 N 1.58 3.95 0.20 2.92 -4.23 -1.26 -3.50 115.64 115.30 2k0f s THR 24 Ca 0.04 0.37 -0.13 0.00 -1.18 0.00 0.00 61.69 60.80 2k0f s THR 24 Cb -0.17 -3.59 0.15 0.00 1.34 0.00 0.00 72.50 70.22 2k0f s THR 24 CO 0.06 -0.71 1.68 0.71 -0.54 0.00 0.00 174.62 175.82 2k0f h THR 25 N -0.33 0.58 -0.28 3.99 1.35 -1.95 0.51 112.91 116.77 2k0f h THR 25 Ca -0.45 -0.04 0.04 0.00 -0.55 0.00 0.00 66.41 65.40 2k0f h THR 25 Cb 1.24 0.44 -0.07 0.00 -1.73 0.00 0.00 68.15 68.03 2k0f h THR 25 CO 0.62 0.02 -0.47 0.50 -0.25 0.00 0.00 175.52 175.94 2k0f h LYS 26 N 0.13 -0.37 -0.15 4.72 3.64 -1.97 0.20 116.57 122.76 2k0f h LYS 26 Ca 0.27 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2k0f h LYS 26 Cb 0.42 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2k0f h LYS 26 CO -0.45 -0.24 0.09 0.93 -2.27 0.00 0.00 179.45 177.51 2k0f h GLU 27 N -0.38 0.20 -0.77 1.90 5.08 -1.87 0.65 114.58 119.39 2k0f h GLU 27 Ca 0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2k0f h GLU 27 Cb 0.52 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2k0f h GLU 27 CO -0.47 0.15 0.50 1.25 -1.00 0.00 0.00 179.01 179.44 2k0f h LEU 28 N 0.19 0.90 0.00 1.33 5.85 -0.71 -2.49 115.31 120.38 2k0f h LEU 28 Ca 0.05 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 2k0f h LEU 28 Cb -0.00 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2k0f h LEU 28 CO -0.01 0.67 -0.81 1.23 -0.34 0.00 0.00 178.44 179.18 2k0f h GLY 29 N 1.05 0.00 1.02 3.75 0.00 -0.28 -2.33 103.07 106.29 2k0f h GLY 29 Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.56 2k0f h GLY 29 CO -0.06 0.00 0.17 -0.84 0.00 0.00 0.00 176.54 175.82 2k0f h THR 30 N 0.00 1.25 -0.42 4.70 2.02 -0.77 0.29 112.91 119.99 2k0f h THR 30 Ca -0.05 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 2k0f h THR 30 Cb 1.30 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 2k0f h THR 30 CO 0.04 0.34 0.23 0.58 0.37 0.00 0.00 175.52 177.07 2k0f h VAL 31 N 0.91 1.16 0.13 3.16 2.07 -1.18 -1.12 116.25 121.39 2k0f h VAL 31 Ca 0.20 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2k0f h VAL 31 Cb 0.33 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2k0f h VAL 31 CO -0.00 0.17 -0.06 0.24 0.02 0.00 0.00 177.57 177.93 2k0f h MET 32 N 0.55 -0.17 -0.66 1.57 2.86 -1.42 -1.43 114.93 116.23 2k0f h MET 32 Ca 0.15 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.89 2k0f h MET 32 Cb 0.07 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 2k0f h MET 32 CO -0.02 0.03 0.44 0.00 1.06 0.00 0.00 176.91 178.42 2k0f h ARG 33 N -0.34 0.55 0.01 1.72 3.08 -0.17 -2.34 114.38 116.89 2k0f h ARG 33 Ca -0.02 -0.03 -0.22 0.00 0.07 0.00 0.00 59.98 59.78 2k0f h ARG 33 Cb 0.28 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 2k0f h ARG 33 CO 0.03 0.36 -0.94 0.77 -1.07 0.00 0.00 179.97 179.12 2k0f h SER 34 N 0.57 0.41 0.24 7.04 0.02 -0.84 -3.26 113.55 117.73 2k0f h SER 34 Ca 0.30 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2k0f h SER 34 Cb 0.43 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2k0f h SER 34 CO -0.10 1.15 -0.24 -0.07 -1.14 0.00 0.00 176.83 176.43 2k0f h LEU 35 N 0.17 -0.65 0.00 5.07 3.38 -0.76 -3.45 115.31 119.07 2k0f h LEU 35 Ca -0.07 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k0f h LEU 35 Cb 1.58 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.55 2k0f h LEU 35 CO 0.15 -0.35 0.00 0.61 0.09 0.00 0.00 178.44 178.94 2k0f n GLY 36 N -1.37 -2.21 3.78 0.83 0.00 -0.96 -5.06 105.19 100.20 2k0f n GLY 36 Ca -0.08 0.79 -0.35 0.00 0.00 0.00 0.00 46.02 46.37 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 3.49 -0.52 1.61 -1.52 -1.23 -4.77 119.66 116.72 2k0f s GLN 37 Ca 0.00 1.61 -0.17 0.00 -1.95 0.00 0.00 55.36 54.85 2k0f s GLN 37 Cb 0.00 -2.09 0.10 0.00 -0.22 0.00 0.00 33.01 30.80 2k0f s GLN 37 CO 0.00 -0.74 0.50 1.21 -0.25 0.00 0.00 175.29 176.02 2k0f s ASN 38 N -1.72 6.18 0.84 5.90 2.47 -1.26 -2.98 114.94 124.36 2k0f s ASN 38 Ca 0.70 -1.49 -0.12 0.00 0.42 0.00 0.00 52.86 52.37 2k0f s ASN 38 Cb -0.24 -2.22 0.10 0.00 -1.45 0.00 0.00 41.25 37.44 2k0f s ASN 38 CO 0.27 -0.82 1.17 -2.16 -3.72 0.00 0.00 177.10 171.84 2k0f s PRO 39 N 1.86 1.74 0.18 0.43 0.04 -1.26 -5.07 135.00 132.93 2k0f s PRO 39 Ca 0.06 0.16 0.05 0.00 0.04 0.00 0.00 61.00 61.30 2k0f s PRO 39 Cb -0.26 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2k0f s PRO 39 CO 0.06 -1.76 0.19 -0.08 0.04 0.00 0.00 177.00 175.44 2k0f s THR 40 N -3.50 4.66 0.07 1.26 -1.32 -1.26 -5.05 115.64 110.51 2k0f s THR 40 Ca 0.63 -1.07 -0.15 0.00 -1.21 0.00 0.00 61.69 59.88 2k0f s THR 40 Cb -0.12 -3.42 -0.18 0.00 -1.51 0.00 0.00 72.50 67.27 2k0f s THR 40 CO 0.50 -0.17 1.25 -0.33 -2.21 0.00 0.00 174.62 173.67 2k0f h GLU 41 N 2.11 0.66 0.50 7.08 4.39 -1.97 -2.35 114.58 124.99 2k0f h GLU 41 Ca -0.48 -0.55 -0.01 0.00 0.34 0.00 0.00 59.36 58.65 2k0f h GLU 41 Cb 1.21 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.96 2k0f h GLU 41 CO 0.63 1.17 -0.44 0.00 -1.16 0.00 0.00 179.01 179.22 2k0f h ALA 42 N 0.50 -1.00 -0.51 3.43 0.00 -1.98 0.27 119.26 119.96 2k0f h ALA 42 Ca -0.05 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.76 2k0f h ALA 42 Cb 1.31 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 19.64 2k0f h ALA 42 CO 0.14 -1.09 0.16 0.93 0.00 0.00 0.00 179.25 179.38 2k0f h GLU 43 N -0.93 0.31 -0.32 0.00 5.08 -1.99 -2.30 114.58 114.42 2k0f h GLU 43 Ca -0.05 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2k0f h GLU 43 Cb 0.80 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2k0f h GLU 43 CO -0.03 0.20 0.19 1.25 -1.00 0.00 0.00 179.01 179.63 2k0f h LEU 44 N 0.32 0.39 -1.10 1.33 5.85 -1.24 -0.77 115.31 120.09 2k0f h LEU 44 Ca 0.25 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 2k0f h LEU 44 Cb 0.30 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2k0f h LEU 44 CO -0.28 0.33 -0.42 -0.61 -0.34 0.00 0.00 178.44 177.12 2k0f h GLN 45 N 0.41 0.06 -0.14 1.25 4.15 -0.32 -2.86 115.11 117.67 2k0f h GLN 45 Ca 0.12 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 2k0f h GLN 45 Cb 0.02 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2k0f h GLN 45 CO -0.02 0.47 0.07 0.22 -1.93 0.00 0.00 178.83 177.64 2k0f h ASP 46 N 0.05 0.17 -0.88 -0.69 3.58 -1.04 0.17 116.42 117.78 2k0f h ASP 46 Ca 0.00 -0.08 0.17 0.00 0.42 0.00 0.00 57.03 57.54 2k0f h ASP 46 Cb 0.77 -0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.71 2k0f h ASP 46 CO 0.06 0.20 0.57 0.24 -2.88 0.00 0.00 179.24 177.43 2k0f h MET 47 N 0.12 0.53 -0.01 0.28 2.86 -0.99 0.17 114.93 117.90 2k0f h MET 47 Ca 0.05 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.51 2k0f h MET 47 Cb 0.07 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.62 2k0f h MET 47 CO -0.01 0.35 -0.56 0.82 1.06 0.00 0.00 176.91 178.57 2k0f h ILE 48 N 0.55 1.44 0.00 -1.22 2.04 -1.28 -2.86 117.51 116.17 2k0f h ILE 48 Ca 0.45 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 64.26 2k0f h ILE 48 Cb 0.92 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 2k0f h ILE 48 CO -0.19 0.60 0.00 0.59 0.00 0.00 0.00 178.15 179.14 2k0f n ASN 49 N -4.25 0.24 0.04 1.72 3.02 0.59 -0.72 115.26 115.91 2k0f n ASN 49 Ca -0.10 0.60 -0.16 0.00 -0.03 0.00 0.00 54.58 54.89 2k0f n ASN 49 Cb 0.65 -0.64 -0.14 0.00 -0.61 0.00 0.00 39.78 39.04 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2k0f h GLU 50 N 0.00 0.20 0.00 3.52 4.57 -0.76 -3.34 114.58 118.78 2k0f h GLU 50 Ca 0.00 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2k0f h GLU 50 Cb 0.06 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2k0f h GLU 50 CO 0.00 1.03 -0.78 1.33 -1.18 0.00 0.00 179.01 179.42 2k0f n VAL 51 N -3.39 0.19 -1.88 0.32 0.24 -1.01 -4.92 118.33 107.88 2k0f n VAL 51 Ca -0.17 -0.19 -0.43 0.00 -2.04 0.00 0.00 64.34 61.51 2k0f n VAL 51 Cb 1.04 0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 33.51 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 -3.79 6.16 -0.19 -1.34 2.15 0.11 -4.84 116.67 114.92 2k0f s ASP 52 Ca 0.06 1.95 -0.15 0.00 0.43 0.00 0.00 52.55 54.84 2k0f s ASP 52 Cb 0.15 -2.53 -0.20 0.00 -0.30 0.00 0.00 42.92 40.04 2k0f s ASP 52 CO 0.75 -1.39 0.16 0.00 -0.17 0.00 0.00 175.17 174.53 2k0f n ALA 53 N 9.05 0.90 -0.35 3.66 0.00 -1.26 -4.77 120.51 127.74 2k0f n ALA 53 Ca 0.22 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2k0f n ALA 53 Cb 0.44 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.41 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k0f n ASP 54 N -4.06 0.00 0.00 0.00 5.68 -1.26 -5.00 116.55 111.91 2k0f n ASP 54 Ca -0.36 0.50 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 2k0f n ASP 54 Cb 0.84 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N 1.11 0.00 0.26 6.12 0.00 -1.26 -5.02 105.19 106.39 2k0f n GLY 55 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.17 1.61 7.08 -1.96 -3.47 115.58 118.67 2k0f h ASN 56 Ca 0.00 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.15 2k0f h ASN 56 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.22 2k0f h ASN 56 CO 0.00 0.00 -0.06 0.61 -2.08 0.00 0.00 177.43 175.90 2k0f n GLY 57 N -0.19 0.60 3.41 9.14 0.00 -1.26 -5.08 105.19 111.82 2k0f n GLY 57 Ca 0.00 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.12 2.21 -0.33 2.61 -4.23 -1.26 -4.85 115.64 107.67 2k0f s THR 58 Ca 0.00 -2.17 -0.29 0.00 -1.18 0.00 0.00 61.69 58.05 2k0f s THR 58 Cb 0.00 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.73 2k0f s THR 58 CO 0.00 -0.32 1.28 -0.51 -0.54 0.00 0.00 174.62 174.53 2k0f s ILE 59 N -2.21 4.16 0.59 2.99 2.07 -1.23 -4.76 121.20 122.80 2k0f s ILE 59 Ca 0.23 1.28 -0.00 0.00 -1.41 0.00 0.00 60.65 60.76 2k0f s ILE 59 Cb -0.06 -4.23 0.04 0.00 0.13 0.00 0.00 42.46 38.35 2k0f s ILE 59 CO 0.11 -0.56 0.83 -1.81 -1.91 0.00 0.00 174.94 171.60 2k0f s ASP 60 N 2.78 5.13 0.34 4.50 1.11 -1.26 -1.12 116.67 128.15 2k0f s ASP 60 Ca 0.55 0.03 0.09 0.00 0.18 0.00 0.00 52.55 53.41 2k0f s ASP 60 Cb -0.15 -0.84 0.84 0.00 1.07 0.00 0.00 42.92 43.84 2k0f s ASP 60 CO 0.24 -1.27 1.80 0.15 1.18 0.00 0.00 175.17 177.27 2k0f h PHE 61 N -0.08 0.91 -0.00 4.23 3.57 -1.80 -2.12 116.94 121.65 2k0f h PHE 61 Ca -0.42 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.11 2k0f h PHE 61 Cb 1.30 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.76 2k0f h PHE 61 CO 0.32 0.22 -0.07 -0.35 -2.23 0.00 0.00 178.31 176.20 2k0f n PRO 62 N -4.67 0.62 -0.03 6.41 -0.04 -1.26 -2.15 135.00 133.87 2k0f n PRO 62 Ca 0.22 -0.15 0.05 0.00 -0.04 0.00 0.00 63.50 63.59 2k0f n PRO 62 Cb 0.60 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.06 0.67 -0.11 0.54 1.02 -0.91 -2.90 120.64 117.89 2k0f n GLU 63 Ca 0.15 -0.15 -0.07 0.00 -0.02 0.00 0.00 57.16 57.06 2k0f n GLU 63 Cb 0.26 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 30.17 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 0.00 0.34 -0.32 -0.32 3.57 -1.11 -3.19 116.94 115.91 2k0f h PHE 64 Ca -0.14 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.28 2k0f h PHE 64 Cb 1.33 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 2k0f h PHE 64 CO 0.00 0.19 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.05 2k0f h LEU 65 N 0.38 0.69 -2.40 0.59 3.38 -1.51 0.14 115.31 116.58 2k0f h LEU 65 Ca 0.15 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2k0f h LEU 65 Cb 0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2k0f h LEU 65 CO -0.09 0.94 -0.03 0.74 0.09 0.00 0.00 178.44 180.09 2k0f h THR 66 N 0.43 0.43 0.00 0.22 2.02 -1.65 -1.49 112.91 112.87 2k0f h THR 66 Ca 0.07 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2k0f h THR 66 Cb 0.68 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2k0f h THR 66 CO 0.05 0.03 0.00 0.80 0.37 0.00 0.00 175.52 176.77 2k0f n MET 67 N -3.64 0.00 0.11 6.66 0.00 -1.04 -4.42 117.12 114.80 2k0f n MET 67 Ca -0.03 0.38 0.13 0.00 -0.00 0.00 0.00 57.70 58.18 2k0f n MET 67 Cb 0.13 -1.01 0.40 0.00 0.00 0.00 0.00 33.22 32.73 2k0f n MET 67 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 2k0f h MET 68 N 0.00 0.00 0.00 2.12 -1.53 -0.56 -2.70 114.93 112.26 2k0f h MET 68 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2k0f h MET 68 Cb 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.05 2k0f h MET 68 CO 0.00 0.00 -0.85 0.00 0.14 0.00 0.00 176.91 176.20 2k0f n ALA 69 N -1.80 4.38 -2.80 0.39 0.00 -0.58 -4.91 120.51 115.19 2k0f n ALA 69 Ca 0.05 -0.52 -0.35 0.00 0.00 0.00 0.00 53.44 52.62 2k0f n ALA 69 Cb 0.42 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.91 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 -3.00 3.65 -0.28 0.00 3.52 -1.02 -5.04 118.95 116.77 2k0f s ARG 70 Ca 0.09 -0.27 -0.29 0.00 -0.13 0.00 0.00 55.73 55.12 2k0f s ARG 70 Cb 0.16 -3.15 0.01 0.00 -1.56 0.00 0.00 34.95 30.41 2k0f s ARG 70 CO 0.82 0.52 1.12 0.21 -0.81 0.00 0.00 175.30 177.16 2k0f s LYS 71 N -0.31 4.10 0.64 5.12 2.47 -1.26 -4.98 119.74 125.52 2k0f s LYS 71 Ca 0.09 1.22 -0.05 0.00 -1.56 0.00 0.00 55.97 55.67 2k0f s LYS 71 Cb -0.12 -3.74 0.04 0.00 -1.46 0.00 0.00 37.83 32.55 2k0f s LYS 71 CO 0.01 -0.86 0.95 -1.64 0.16 0.00 0.00 175.35 173.97 2k0f s MET 72 N 3.63 2.50 0.97 4.03 -1.94 -1.26 -5.09 119.30 122.14 2k0f s MET 72 Ca 0.48 -0.22 -0.11 0.00 -1.71 0.00 0.00 55.69 54.12 2k0f s MET 72 Cb -0.14 -2.24 0.13 0.00 2.01 0.00 0.00 34.83 34.59 2k0f s MET 72 CO 0.15 -0.98 0.88 0.36 -0.01 0.00 0.00 175.02 175.41 2k0f n LYS 73 N -2.73 -0.71 -0.07 2.03 2.85 -1.26 -4.68 118.16 113.59 2k0f n LYS 73 Ca 0.07 -0.15 0.09 0.00 -1.05 0.00 0.00 58.31 57.27 2k0f n LYS 73 Cb 0.59 -2.18 0.38 0.00 -0.65 0.00 0.00 35.03 33.17 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2k0f n ASP 74 N -3.43 1.17 0.00 -5.58 8.00 -1.26 -1.45 116.55 114.01 2k0f n ASP 74 Ca 0.09 -1.68 0.00 0.00 0.71 0.00 0.00 54.79 53.91 2k0f n ASP 74 Cb 0.53 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2k0f n ASP 74 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2k0f n THR 75 N 0.01 0.00 -0.33 -3.53 -2.24 -1.26 -3.37 114.28 103.56 2k0f n THR 75 Ca 0.14 0.95 0.19 0.00 -2.27 0.00 0.00 64.05 63.06 2k0f n THR 75 Cb 0.24 -1.83 0.40 0.00 -2.10 0.00 0.00 70.33 67.04 2k0f n THR 75 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 76 N 0.00 0.47 0.21 3.42 3.32 -1.91 -0.56 116.42 121.36 2k0f h ASP 76 Ca 0.00 0.17 -0.14 0.00 0.02 0.00 0.00 57.03 57.09 2k0f h ASP 76 Cb 0.00 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2k0f h ASP 76 CO 0.00 -0.05 -0.51 -1.28 -1.72 0.00 0.00 179.24 175.67 2k0f h SER 77 N 0.39 0.37 0.42 6.45 0.87 -1.39 -2.54 113.55 118.13 2k0f h SER 77 Ca 0.66 -0.19 -0.31 0.00 -1.23 0.00 0.00 61.79 60.72 2k0f h SER 77 Cb 1.38 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 2k0f h SER 77 CO -0.57 0.82 -1.60 -0.08 -0.53 0.00 0.00 176.83 174.88 2k0f h GLU 78 N 0.27 0.22 -0.71 2.24 4.81 -1.39 -3.34 114.58 116.68 2k0f h GLU 78 Ca 0.01 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2k0f h GLU 78 Cb 1.00 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 2k0f h GLU 78 CO 0.09 1.05 0.46 1.49 -0.73 0.00 0.00 179.01 181.37 2k0f h GLU 79 N 0.06 0.94 -0.57 1.92 4.81 -1.01 -0.50 114.58 120.23 2k0f h GLU 79 Ca -0.27 -0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.00 2k0f h GLU 79 Cb 2.01 -0.21 -0.11 0.00 0.63 0.00 0.00 28.75 31.07 2k0f h GLU 79 CO 0.14 0.63 -0.37 1.49 -0.73 0.00 0.00 179.01 180.18 2k0f h GLU 80 N 0.97 -0.19 -0.32 1.92 4.81 -1.57 0.16 114.58 120.36 2k0f h GLU 80 Ca 0.26 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 2k0f h GLU 80 Cb -0.10 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2k0f h GLU 80 CO -0.05 -0.13 0.00 0.82 -0.73 0.00 0.00 179.01 178.92 2k0f h ILE 81 N -0.20 1.26 -0.09 2.32 1.08 -1.28 -2.38 117.51 118.22 2k0f h ILE 81 Ca 0.21 -0.94 -0.04 0.00 -0.39 0.00 0.00 64.86 63.70 2k0f h ILE 81 Cb 0.56 1.25 -0.00 0.00 -3.07 0.00 0.00 36.82 35.55 2k0f h ILE 81 CO -0.67 0.31 -0.09 0.03 -0.69 0.00 0.00 178.15 177.04 2k0f h ARG 82 N 0.36 0.22 -0.66 2.37 3.08 -0.93 0.60 114.38 119.43 2k0f h ARG 82 Ca 0.09 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2k0f h ARG 82 Cb 0.43 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 2k0f h ARG 82 CO 0.02 0.64 0.33 0.93 -1.07 0.00 0.00 179.97 180.81 2k0f h GLU 83 N -0.18 0.94 -0.77 0.04 4.39 -0.76 -2.52 114.58 115.72 2k0f h GLU 83 Ca 0.02 -0.13 0.07 0.00 0.34 0.00 0.00 59.36 59.66 2k0f h GLU 83 Cb 0.59 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.00 2k0f h GLU 83 CO 0.02 0.74 0.45 0.00 -1.16 0.00 0.00 179.01 179.05 2k0f h ALA 84 N 1.15 1.07 -1.00 3.43 0.00 -1.19 -2.33 119.26 120.40 2k0f h ALA 84 Ca 0.23 0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.33 2k0f h ALA 84 Cb 0.10 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.64 2k0f h ALA 84 CO -0.03 0.11 0.62 0.35 0.00 0.00 0.00 179.25 180.30 2k0f h PHE 85 N 0.79 1.09 -0.00 0.00 3.57 -0.63 -1.78 116.94 119.97 2k0f h PHE 85 Ca 0.36 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.89 2k0f h PHE 85 Cb 0.26 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2k0f h PHE 85 CO -0.06 0.28 -0.02 -2.13 -2.23 0.00 0.00 178.31 174.15 2k0f n ARG 86 N -4.73 1.02 -0.08 1.11 0.63 -0.90 -0.98 116.66 112.72 2k0f n ARG 86 Ca 0.22 -0.24 -0.14 0.00 -0.92 0.00 0.00 57.85 56.77 2k0f n ARG 86 Cb 0.53 -1.49 -0.10 0.00 0.45 0.00 0.00 32.46 31.84 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 0.59 1.19 0.62 5.15 2.07 -1.01 -3.39 116.25 121.47 2k0f h VAL 87 Ca 0.00 -2.04 -0.02 0.00 0.82 0.00 0.00 66.70 65.46 2k0f h VAL 87 Cb 0.20 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 2k0f h VAL 87 CO 0.00 0.40 -0.43 -0.26 0.02 0.00 0.00 177.57 177.31 2k0f h PHE 88 N -1.00 -1.14 -2.83 1.57 0.04 -1.39 -3.41 116.94 108.79 2k0f h PHE 88 Ca -0.10 -0.01 -0.57 0.00 2.80 0.00 0.00 57.97 60.09 2k0f h PHE 88 Cb 0.93 0.42 -0.04 0.00 2.20 0.00 0.00 35.95 39.46 2k0f h PHE 88 CO 0.16 -0.62 1.21 0.34 -0.60 0.00 0.00 178.31 178.79 2k0f s ASP 89 N -4.35 6.01 -0.08 2.17 2.15 -0.16 -4.51 116.67 117.90 2k0f s ASP 89 Ca -0.18 1.09 0.10 0.00 0.43 0.00 0.00 52.55 53.99 2k0f s ASP 89 Cb 0.04 -2.53 -0.24 0.00 -0.30 0.00 0.00 42.92 39.89 2k0f s ASP 89 CO 0.61 -1.65 0.50 0.29 -0.17 0.00 0.00 175.17 174.76 2k0f n LYS 90 N 8.36 0.66 0.00 4.34 5.02 -1.26 -4.65 118.16 130.63 2k0f n LYS 90 Ca 0.21 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 2k0f n LYS 90 Cb 0.47 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2k0f n LYS 90 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2k0f n ASP 91 N -3.08 0.00 0.00 4.39 5.68 -1.26 -5.05 116.55 117.23 2k0f n ASP 91 Ca -0.22 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.07 2k0f n ASP 91 Cb 1.06 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.04 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 2.93 0.00 0.05 6.12 0.00 -1.26 -5.03 105.19 108.01 2k0f n GLY 92 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.49 -0.80 1.61 0.23 -1.26 -4.93 115.26 110.61 2k0f n ASN 93 Ca 0.00 0.42 -0.07 0.00 -0.53 0.00 0.00 54.58 54.39 2k0f n ASN 93 Cb 0.00 -0.48 -0.01 0.00 -2.08 0.00 0.00 39.78 37.22 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 1.39 0.21 2.75 4.83 0.00 -1.26 -5.03 105.19 108.08 2k0f n GLY 94 Ca 0.06 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.35 0.89 -0.44 1.61 2.02 -1.26 -3.97 117.35 113.84 2k0f s TYR 95 Ca 0.00 -0.58 -0.27 0.00 -0.37 0.00 0.00 57.07 55.85 2k0f s TYR 95 Cb 0.00 -0.94 0.03 0.00 -0.40 0.00 0.00 41.96 40.64 2k0f s TYR 95 CO 0.00 -0.50 1.03 0.42 -1.57 0.00 0.00 175.55 174.94 2k0f s ILE 96 N 1.90 4.37 0.71 2.71 1.01 0.14 -4.78 121.20 127.26 2k0f s ILE 96 Ca 0.02 1.11 -0.07 0.00 0.00 0.00 0.00 60.65 61.70 2k0f s ILE 96 Cb -0.15 -4.50 0.06 0.00 0.01 0.00 0.00 42.46 37.88 2k0f s ILE 96 CO -0.07 -0.84 1.03 -0.94 0.00 0.00 0.00 174.94 174.11 2k0f s SER 97 N 2.25 4.84 0.17 3.58 1.04 -1.26 -1.71 113.70 122.61 2k0f s SER 97 Ca 0.43 0.52 -0.22 0.00 0.48 0.00 0.00 55.95 57.16 2k0f s SER 97 Cb -0.09 -1.18 0.08 0.00 0.10 0.00 0.00 66.02 64.93 2k0f s SER 97 CO 0.27 -1.59 1.60 0.00 0.98 0.00 0.00 173.24 174.50 2k0f h ALA 98 N -0.62 -0.10 -0.39 5.32 0.00 -1.93 -1.80 119.26 119.73 2k0f h ALA 98 Ca -0.45 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.60 2k0f h ALA 98 Cb 1.31 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 19.75 2k0f h ALA 98 CO 0.61 -0.68 0.22 0.00 0.00 0.00 0.00 179.25 179.40 2k0f h ALA 99 N 0.88 0.49 -0.08 0.00 0.00 -1.99 0.79 119.26 119.35 2k0f h ALA 99 Ca 0.19 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2k0f h ALA 99 Cb 0.52 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2k0f h ALA 99 CO -0.55 -0.12 -0.45 0.93 0.00 0.00 0.00 179.25 179.07 2k0f h GLU 100 N 0.45 -0.53 0.05 0.00 5.08 -1.87 -1.82 114.58 115.96 2k0f h GLU 100 Ca 0.16 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2k0f h GLU 100 Cb 0.02 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2k0f h GLU 100 CO -0.08 -0.35 -0.12 1.25 -1.00 0.00 0.00 179.01 178.71 2k0f h LEU 101 N -0.55 -0.34 -0.97 1.33 5.85 -0.96 -0.37 115.31 119.30 2k0f h LEU 101 Ca 0.06 0.03 0.30 0.00 0.84 0.00 0.00 57.88 59.11 2k0f h LEU 101 Cb 0.65 0.12 -0.15 0.00 0.37 0.00 0.00 40.66 41.66 2k0f h LEU 101 CO -0.38 -0.13 0.49 -0.09 -0.34 0.00 0.00 178.44 177.99 2k0f h ARG 102 N -0.19 0.30 -0.05 1.25 2.43 -0.92 0.30 114.38 117.51 2k0f h ARG 102 Ca -0.01 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 58.91 2k0f h ARG 102 Cb 0.18 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2k0f h ARG 102 CO -0.05 0.20 -0.93 1.25 -1.51 0.00 0.00 179.97 178.93 2k0f h HIS 103 N 0.31 0.92 -0.32 2.20 2.76 -0.97 -1.87 115.15 118.18 2k0f h HIS 103 Ca 0.69 -0.47 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 2k0f h HIS 103 Cb 1.52 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 30.34 2k0f h HIS 103 CO -0.07 1.30 0.06 0.28 -1.30 0.00 0.00 177.93 178.19 2k0f h VAL 104 N 0.39 1.23 0.00 5.26 2.07 -0.68 -1.12 116.25 123.40 2k0f h VAL 104 Ca -0.09 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 2k0f h VAL 104 Cb 1.57 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2k0f h VAL 104 CO 0.18 0.26 -0.13 -0.03 0.02 0.00 0.00 177.57 177.87 2k0f h MET 105 N 0.36 0.00 -0.00 1.57 -1.53 -0.96 0.13 114.93 114.50 2k0f h MET 105 Ca 0.10 0.00 -0.05 0.00 -3.44 0.00 0.00 59.70 56.31 2k0f h MET 105 Cb 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.38 2k0f h MET 105 CO 0.00 0.13 -0.18 1.15 0.14 0.00 0.00 176.91 178.15 2k0f h THR 106 N 0.00 1.57 -0.38 -0.77 2.02 -1.08 0.31 112.91 114.57 2k0f h THR 106 Ca -0.00 -1.92 -0.04 0.00 0.77 0.00 0.00 66.41 65.22 2k0f h THR 106 Cb 0.28 2.80 -0.02 0.00 -1.74 0.00 0.00 68.15 69.47 2k0f h THR 106 CO 0.02 0.52 0.07 0.78 0.37 0.00 0.00 175.52 177.28 2k0f h ASN 107 N -0.58 0.53 -0.19 4.18 2.35 -1.05 -2.40 115.58 118.42 2k0f h ASN 107 Ca -0.02 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2k0f h ASN 107 Cb 0.95 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 2k0f h ASN 107 CO 0.04 0.55 0.09 0.25 -1.65 0.00 0.00 177.43 176.70 2k0f h LEU 108 N 0.56 0.14 0.00 1.61 5.85 -0.79 -3.38 115.31 119.29 2k0f h LEU 108 Ca 0.13 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2k0f h LEU 108 Cb 0.24 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2k0f h LEU 108 CO -0.00 0.11 0.00 0.61 -0.34 0.00 0.00 178.44 178.82 2k0f n GLY 109 N -1.15 0.40 3.41 3.75 0.00 0.98 -4.61 105.19 107.96 2k0f n GLY 109 Ca -0.03 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N 0.00 1.47 -0.42 1.61 2.56 -0.48 -4.81 118.70 118.63 2k0f s GLU 110 Ca 0.00 -1.38 -0.27 0.00 0.00 0.00 0.00 54.97 53.33 2k0f s GLU 110 Cb 0.00 -1.91 0.02 0.00 2.00 0.00 0.00 34.13 34.24 2k0f s GLU 110 CO 0.00 0.44 0.99 0.21 -0.56 0.00 0.00 175.26 176.35 2k0f s LYS 111 N -2.22 3.75 -0.17 4.30 2.20 -1.26 -4.18 119.74 122.17 2k0f s LYS 111 Ca 0.16 0.51 0.01 0.00 -0.36 0.00 0.00 55.97 56.29 2k0f s LYS 111 Cb -0.10 -3.86 0.01 0.00 -1.51 0.00 0.00 37.83 32.38 2k0f s LYS 111 CO 0.07 -1.13 -0.19 -0.51 -0.36 0.00 0.00 175.35 173.24 2k0f s LEU 112 N 3.82 2.23 0.49 5.43 1.43 -1.26 -5.10 118.68 125.71 2k0f s LEU 112 Ca 0.41 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 2k0f s LEU 112 Cb -0.10 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.63 2k0f s LEU 112 CO 0.24 0.04 0.71 0.42 0.23 0.00 0.00 176.35 177.98 2k0f s THR 113 N 1.09 3.51 -0.85 5.49 -4.23 -1.26 -4.97 115.64 114.42 2k0f s THR 113 Ca -0.00 -0.56 0.10 0.00 -1.18 0.00 0.00 61.69 60.05 2k0f s THR 113 Cb -0.14 -3.30 0.10 0.00 1.34 0.00 0.00 72.50 70.49 2k0f s THR 113 CO -0.07 -0.21 1.33 0.47 -0.54 0.00 0.00 174.62 175.60 2k0f n ASP 114 N -2.17 0.14 0.20 3.99 8.00 -1.26 -3.63 116.55 121.82 2k0f n ASP 114 Ca 0.04 0.55 -0.15 0.00 0.71 0.00 0.00 54.79 55.94 2k0f n ASP 114 Cb 0.58 -0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 2k0f n ASP 114 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2k0f h GLU 115 N 0.00 -0.65 -0.00 -1.24 5.08 -1.99 -1.99 114.58 113.79 2k0f h GLU 115 Ca 0.00 0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 2k0f h GLU 115 Cb 0.13 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2k0f h GLU 115 CO 0.00 -0.43 -0.82 0.93 -1.00 0.00 0.00 179.01 177.69 2k0f h GLU 116 N -0.67 0.13 -0.65 2.33 5.08 -1.99 -2.64 114.58 116.17 2k0f h GLU 116 Ca -0.02 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 2k0f h GLU 116 Cb 0.61 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2k0f h GLU 116 CO -0.07 0.88 0.07 0.28 -1.00 0.00 0.00 179.01 179.17 2k0f h VAL 117 N 0.07 1.26 -0.46 3.13 2.07 -1.58 0.26 116.25 121.01 2k0f h VAL 117 Ca -0.03 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 2k0f h VAL 117 Cb 1.43 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2k0f h VAL 117 CO 0.12 0.40 0.07 -0.78 0.02 0.00 0.00 177.57 177.40 2k0f h ASP 118 N 1.02 0.73 -0.33 0.57 3.58 -1.41 0.72 116.42 121.31 2k0f h ASP 118 Ca 0.19 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2k0f h ASP 118 Cb 0.49 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2k0f h ASP 118 CO 0.02 0.81 0.15 -0.08 -2.88 0.00 0.00 179.24 177.27 2k0f h GLU 119 N 0.62 0.48 -0.49 0.28 4.81 -0.90 -0.58 114.58 118.80 2k0f h GLU 119 Ca 0.14 -0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.39 2k0f h GLU 119 Cb 0.40 -0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.59 2k0f h GLU 119 CO 0.01 0.44 -0.27 0.52 -0.73 0.00 0.00 179.01 178.99 2k0f h MET 120 N 0.39 -0.15 0.11 1.92 2.86 -0.47 0.11 114.93 119.70 2k0f h MET 120 Ca 0.11 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2k0f h MET 120 Cb 0.13 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2k0f h MET 120 CO -0.01 -0.10 -0.05 0.82 1.06 0.00 0.00 176.91 178.63 2k0f h ILE 121 N -0.16 0.99 0.00 -1.22 1.08 -0.72 -2.58 117.51 114.91 2k0f h ILE 121 Ca 0.22 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 64.32 2k0f h ILE 121 Cb 0.51 1.22 -0.00 0.00 -3.07 0.00 0.00 36.82 35.47 2k0f h ILE 121 CO -0.58 0.09 -0.10 0.03 -0.69 0.00 0.00 178.15 176.90 2k0f h ARG 122 N -0.30 0.00 0.00 2.37 3.08 -0.71 0.18 114.38 119.00 2k0f h ARG 122 Ca -0.01 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.82 2k0f h ARG 122 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 2k0f h ARG 122 CO 0.02 0.10 -1.08 1.05 -1.07 0.00 0.00 179.97 178.99 2k0f h GLU 123 N 0.00 0.01 0.16 0.04 4.11 -0.80 -3.29 114.58 114.81 2k0f h GLU 123 Ca -0.00 -0.02 -0.26 0.00 0.07 0.00 0.00 59.36 59.16 2k0f h GLU 123 Cb 0.20 0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.48 2k0f h GLU 123 CO 0.01 0.96 -1.10 0.00 0.07 0.00 0.00 179.01 178.95 2k0f h ALA 124 N 0.99 -0.08 -2.63 1.06 0.00 -1.07 -3.46 119.26 114.06 2k0f h ALA 124 Ca -0.04 -0.75 -0.52 0.00 0.00 0.00 0.00 54.91 53.59 2k0f h ALA 124 Cb 1.80 0.12 0.05 0.00 0.00 0.00 0.00 17.79 19.76 2k0f h ALA 124 CO 0.13 0.54 0.86 0.34 0.00 0.00 0.00 179.25 181.12 2k0f s ASP 125 N -7.25 6.59 -0.11 0.00 2.15 0.61 -4.90 116.67 113.77 2k0f s ASP 125 Ca -0.11 2.63 -0.13 0.00 0.43 0.00 0.00 52.55 55.36 2k0f s ASP 125 Cb 0.03 -2.60 -0.05 0.00 -0.30 0.00 0.00 42.92 40.01 2k0f s ASP 125 CO 0.89 -0.81 -0.26 -0.38 -0.17 0.00 0.00 175.17 174.44 2k0f n ILE 126 N 3.68 1.43 0.00 4.11 2.08 -1.26 -4.89 119.36 124.51 2k0f n ILE 126 Ca 0.13 0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.64 2k0f n ILE 126 Cb 0.39 -2.16 0.00 0.00 -0.75 0.00 0.00 39.64 37.12 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2k0f n ASP 127 N -4.22 0.00 0.00 4.38 5.68 -1.26 -5.02 116.55 116.11 2k0f n ASP 127 Ca -0.11 0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 2k0f n ASP 127 Cb 0.39 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 0.65 0.00 0.10 6.12 0.00 -1.26 -5.00 105.19 105.81 2k0f n GLY 128 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -0.38 1.61 3.04 -2.00 -3.47 116.42 115.22 2k0f h ASP 129 Ca 0.00 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.74 2k0f h ASP 129 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 129 CO 0.00 0.71 -0.07 0.61 -2.04 0.00 0.00 179.24 178.45 2k0f n GLY 130 N 1.31 0.27 3.18 7.15 0.00 -1.26 -5.08 105.19 110.76 2k0f n GLY 130 Ca -0.01 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 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 -4.08 0.85 -0.43 1.61 -0.21 -1.26 -4.64 119.66 111.51 2k0f s GLN 131 Ca 0.00 -1.05 -0.16 0.00 0.02 0.00 0.00 55.36 54.17 2k0f s GLN 131 Cb 0.00 -0.75 0.03 0.00 1.00 0.00 0.00 33.01 33.29 2k0f s GLN 131 CO 0.00 0.15 0.39 0.08 -2.12 0.00 0.00 175.29 173.79 2k0f s VAL 132 N -1.72 5.16 0.67 1.09 1.01 -0.69 -4.84 120.40 121.07 2k0f s VAL 132 Ca 0.02 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 2k0f s VAL 132 Cb -0.07 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 2k0f s VAL 132 CO 0.02 -0.41 1.06 0.21 0.00 0.00 0.00 175.10 175.98 2k0f s ASN 133 N 1.87 5.72 0.39 3.32 2.47 -1.26 -0.68 114.94 126.76 2k0f s ASN 133 Ca 0.09 1.33 0.06 0.00 0.42 0.00 0.00 52.86 54.75 2k0f s ASN 133 Cb -0.19 -2.24 0.79 0.00 -1.45 0.00 0.00 41.25 38.16 2k0f s ASN 133 CO 0.11 -1.19 2.02 0.22 -3.72 0.00 0.00 177.10 174.54 2k0f h TYR 134 N -0.54 0.54 -1.08 0.43 3.20 -1.98 0.24 116.97 117.78 2k0f h TYR 134 Ca -0.45 -0.00 0.29 0.00 3.14 0.00 0.00 58.73 61.72 2k0f h TYR 134 Cb 1.22 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 39.24 2k0f h TYR 134 CO 0.58 0.38 0.72 1.49 -1.64 0.00 0.00 178.16 179.70 2k0f h GLU 135 N 0.57 0.24 0.00 1.82 4.81 -1.94 0.74 114.58 120.82 2k0f h GLU 135 Ca 0.15 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2k0f h GLU 135 Cb 0.02 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2k0f h GLU 135 CO -0.02 0.16 -0.92 0.39 -0.73 0.00 0.00 179.01 177.88 2k0f n GLU 136 N -4.48 0.35 -0.09 1.92 1.02 0.76 -3.49 120.64 116.62 2k0f n GLU 136 Ca 0.25 0.04 -0.19 0.00 -0.02 0.00 0.00 57.16 57.24 2k0f n GLU 136 Cb 1.00 -1.66 -0.11 0.00 -0.02 0.00 0.00 31.44 30.65 2k0f n GLU 136 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 137 N 0.00 0.00 -0.03 -0.32 3.57 -0.59 -3.36 116.94 116.21 2k0f h PHE 137 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2k0f h PHE 137 Cb 0.78 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 2k0f h PHE 137 CO 0.00 1.28 -0.00 -0.24 -2.23 0.00 0.00 178.31 177.11 2k0f h VAL 138 N -1.00 1.27 0.00 1.41 3.04 0.35 -0.65 116.25 120.67 2k0f h VAL 138 Ca -0.23 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 64.63 2k0f h VAL 138 Cb 1.17 1.77 0.00 0.00 -2.01 0.00 0.00 31.29 32.22 2k0f h VAL 138 CO -0.14 0.22 0.00 -0.61 -1.01 0.00 0.00 177.57 176.03 2k0f h GLN 139 N -0.27 0.00 0.00 4.17 4.15 -1.78 -0.09 115.11 121.29 2k0f h GLN 139 Ca 0.01 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 2k0f h GLN 139 Cb 0.36 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 2k0f h GLN 139 CO 0.00 0.00 -0.39 1.98 -1.93 0.00 0.00 178.83 178.49 2k0f h MET 140 N 0.00 0.00 -0.55 1.69 4.05 -1.71 -3.39 114.93 115.03 2k0f h MET 140 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2k0f h MET 140 Cb 0.52 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.29 2k0f h MET 140 CO 0.00 0.21 0.34 0.52 0.23 0.00 0.00 176.91 178.21 2k0f h MET 141 N -1.00 0.73 -0.00 0.39 2.86 -0.99 -3.51 114.93 113.40 2k0f h MET 141 Ca -0.04 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2k0f h MET 141 Cb 0.48 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2k0f h MET 141 CO -0.03 0.50 0.00 0.25 1.06 0.00 0.00 176.91 178.70