#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 -4.79 -2.82 4.71 -1.26 -5.00 120.64 111.49 2k0f n GLU 2 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.84 2k0f n GLU 2 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 31.44 30.26 2k0f n GLU 2 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2k0f s GLU 3 N 0.28 2.77 -0.19 3.49 2.02 -1.26 -5.04 118.70 120.77 2k0f s GLU 3 Ca 0.00 -0.77 0.18 0.00 0.02 0.00 0.00 54.97 54.40 2k0f s GLU 3 Cb 0.00 -2.21 -0.25 0.00 0.10 0.00 0.00 34.13 31.77 2k0f s GLU 3 CO 0.00 0.04 0.08 1.04 0.02 0.00 0.00 175.26 176.44 2k0f n GLN 4 N 3.91 0.74 0.08 1.61 6.02 -1.26 -2.18 117.38 126.30 2k0f n GLN 4 Ca -0.20 -0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 56.67 2k0f n GLN 4 Cb 0.52 -1.51 -0.04 0.00 1.02 0.00 0.00 30.24 30.22 2k0f n GLN 4 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2k0f h ILE 5 N 0.00 1.47 -0.64 5.09 1.08 -1.98 -1.23 117.51 121.30 2k0f h ILE 5 Ca -0.53 -2.65 0.11 0.00 -0.39 0.00 0.00 64.86 61.41 2k0f h ILE 5 Cb 2.20 2.53 -0.08 0.00 -3.07 0.00 0.00 36.82 38.40 2k0f h ILE 5 CO 0.03 0.78 0.21 0.00 -0.69 0.00 0.00 178.15 178.47 2k0f h ALA 6 N 0.83 0.82 -0.08 1.87 0.00 -2.00 -2.11 119.26 118.60 2k0f h ALA 6 Ca -0.07 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2k0f h ALA 6 Cb 1.61 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2k0f h ALA 6 CO 0.15 -0.24 -0.61 1.49 0.00 0.00 0.00 179.25 180.05 2k0f h GLU 7 N 0.36 0.27 0.51 0.00 4.81 -1.13 -2.22 114.58 117.18 2k0f h GLU 7 Ca 0.33 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2k0f h GLU 7 Cb 0.47 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.88 2k0f h GLU 7 CO -0.36 0.79 -0.25 0.35 -0.73 0.00 0.00 179.01 178.82 2k0f h PHE 8 N 0.20 -0.64 -0.73 0.92 3.57 -1.29 -2.79 116.94 116.18 2k0f h PHE 8 Ca -0.01 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.53 2k0f h PHE 8 Cb 1.12 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 40.03 2k0f h PHE 8 CO 0.02 -0.33 0.48 -0.22 -2.23 0.00 0.00 178.31 176.04 2k0f h LYS 9 N -0.87 0.80 0.05 1.11 1.63 -1.16 0.43 116.57 118.56 2k0f h LYS 9 Ca -0.07 -0.05 -0.23 0.00 -0.85 0.00 0.00 60.65 59.45 2k0f h LYS 9 Cb 0.60 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 32.04 2k0f h LYS 9 CO 0.12 0.53 -1.05 1.49 -3.45 0.00 0.00 179.45 177.09 2k0f h GLU 10 N 0.83 0.25 -0.65 1.90 4.81 -1.48 0.26 114.58 120.50 2k0f h GLU 10 Ca 0.30 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 10 Cb 0.16 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 2k0f h GLU 10 CO -0.10 1.10 0.32 0.00 -0.73 0.00 0.00 179.01 179.60 2k0f h ALA 11 N 0.77 0.83 0.29 2.92 0.00 -1.03 -1.57 119.26 121.47 2k0f h ALA 11 Ca -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k0f h ALA 11 Cb 1.73 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 2k0f h ALA 11 CO 0.17 0.38 -0.48 0.35 0.00 0.00 0.00 179.25 179.67 2k0f h PHE 12 N 0.89 -1.34 0.00 0.00 3.04 0.23 -3.21 116.94 116.55 2k0f h PHE 12 Ca 0.22 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.20 2k0f h PHE 12 Cb 0.10 0.55 0.00 0.00 2.56 0.00 0.00 35.95 39.16 2k0f h PHE 12 CO 0.00 -0.60 0.00 0.43 -2.02 0.00 0.00 178.31 176.12 2k0f n SER 13 N -5.51 0.37 0.20 0.41 7.64 0.87 -1.24 113.62 116.36 2k0f n SER 13 Ca -0.10 0.65 -0.08 0.00 1.01 0.00 0.00 58.87 60.36 2k0f n SER 13 Cb 0.42 -0.71 -0.04 0.00 -1.01 0.00 0.00 64.21 62.88 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k0f h LEU 14 N 0.00 -0.43 0.32 -3.43 5.85 -1.28 -3.38 115.31 112.96 2k0f h LEU 14 Ca 0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2k0f h LEU 14 Cb 0.07 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2k0f h LEU 14 CO 0.00 -0.29 -0.15 -0.26 -0.34 0.00 0.00 178.44 177.39 2k0f h PHE 15 N -0.55 -0.40 -2.51 1.25 0.04 -1.56 -3.43 116.94 109.77 2k0f h PHE 15 Ca -0.05 -0.01 -0.57 0.00 2.80 0.00 0.00 57.97 60.14 2k0f h PHE 15 Cb 0.39 0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 2k0f h PHE 15 CO 0.12 -0.15 1.27 0.34 -0.60 0.00 0.00 178.31 179.30 2k0f s ASP 16 N -4.94 6.01 0.31 2.17 -1.08 -0.38 -4.73 116.67 114.03 2k0f s ASP 16 Ca -0.15 1.69 0.16 0.00 -0.52 0.00 0.00 52.55 53.73 2k0f s ASP 16 Cb 0.03 -2.52 0.34 0.00 -1.46 0.00 0.00 42.92 39.31 2k0f s ASP 16 CO 0.60 -1.55 1.57 0.50 0.52 0.00 0.00 175.17 176.81 2k0f h LYS 17 N 12.45 0.00 0.09 4.34 3.64 -1.87 -3.22 116.57 131.99 2k0f h LYS 17 Ca -0.37 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.65 2k0f h LYS 17 Cb 1.19 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 2k0f h LYS 17 CO 0.99 0.48 -2.06 -0.25 -2.27 0.00 0.00 179.45 176.35 2k0f n ASP 18 N -3.38 2.08 0.00 4.20 8.00 -1.26 -5.00 116.55 121.19 2k0f n ASP 18 Ca 0.01 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.67 2k0f n ASP 18 Cb 0.64 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 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 2.00 0.84 0.06 0.44 0.00 -1.22 -5.02 105.19 102.29 2k0f n GLY 19 Ca -0.35 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.94 -3.49 116.42 114.62 2k0f h ASP 20 Ca 0.00 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 2k0f h ASP 20 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 20 CO 0.00 0.69 0.00 0.61 -1.03 0.00 0.00 179.24 179.51 2k0f n GLY 21 N 1.66 -0.88 2.69 7.15 0.00 -1.26 -5.12 105.19 109.43 2k0f n GLY 21 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 0.13 -0.28 2.61 -4.23 -1.26 -3.27 115.64 109.34 2k0f s THR 22 Ca 0.00 0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.49 2k0f s THR 22 Cb 0.00 -0.52 0.02 0.00 1.34 0.00 0.00 72.50 73.34 2k0f s THR 22 CO 0.00 0.01 0.01 -0.63 -0.54 0.00 0.00 174.62 173.47 2k0f s ILE 23 N 2.06 3.40 0.62 2.99 1.01 0.42 -4.94 121.20 126.75 2k0f s ILE 23 Ca 0.03 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 2k0f s ILE 23 Cb -0.14 -2.77 0.03 0.00 0.01 0.00 0.00 42.46 39.58 2k0f s ILE 23 CO -0.06 0.10 0.92 0.42 0.00 0.00 0.00 174.94 176.31 2k0f s THR 24 N 1.40 3.18 0.31 2.92 -4.23 -1.26 -1.84 115.64 116.11 2k0f s THR 24 Ca 0.01 -0.15 0.08 0.00 -1.18 0.00 0.00 61.69 60.44 2k0f s THR 24 Cb -0.17 -3.28 0.37 0.00 1.34 0.00 0.00 72.50 70.75 2k0f s THR 24 CO -0.01 -0.28 1.47 0.35 -0.54 0.00 0.00 174.62 175.60 2k0f n THR 25 N -2.65 -0.39 -0.03 3.99 -2.24 -1.26 -1.48 114.28 110.22 2k0f n THR 25 Ca 0.06 2.00 -0.17 0.00 -2.27 0.00 0.00 64.05 63.66 2k0f n THR 25 Cb 0.59 -3.03 -0.07 0.00 -2.10 0.00 0.00 70.33 65.72 2k0f n THR 25 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2k0f h LYS 26 N 0.00 0.82 -0.36 -0.78 1.57 -1.97 0.90 116.57 116.75 2k0f h LYS 26 Ca 0.64 -0.64 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2k0f h LYS 26 Cb 1.49 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.88 2k0f h LYS 26 CO -0.82 1.25 0.07 0.93 -0.57 0.00 0.00 179.45 180.31 2k0f h GLU 27 N 0.57 0.19 0.02 3.15 5.08 -1.77 -1.39 114.58 120.42 2k0f h GLU 27 Ca -0.04 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 27 Cb 1.38 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2k0f h GLU 27 CO 0.16 0.12 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.21 2k0f h LEU 28 N 0.19 -0.03 -1.65 1.33 3.38 -1.11 -3.19 115.31 114.24 2k0f h LEU 28 Ca 0.17 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2k0f h LEU 28 Cb 0.20 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2k0f h LEU 28 CO -0.23 0.13 0.28 1.23 0.09 0.00 0.00 178.44 179.94 2k0f h GLY 29 N -0.18 0.52 0.92 0.83 0.00 -0.76 -1.67 103.07 102.73 2k0f h GLY 29 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 2k0f h GLY 29 CO 0.01 0.16 0.13 -0.84 0.00 0.00 0.00 176.54 176.00 2k0f h THR 30 N 0.46 1.18 -0.08 4.70 2.02 -1.24 -0.87 112.91 119.08 2k0f h THR 30 Ca 0.17 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 2k0f h THR 30 Cb 0.11 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2k0f h THR 30 CO -0.04 0.19 0.02 0.58 0.37 0.00 0.00 175.52 176.64 2k0f h VAL 31 N 0.38 1.20 -0.42 3.16 2.07 -1.46 -2.40 116.25 118.78 2k0f h VAL 31 Ca 0.11 -0.63 0.07 0.00 0.82 0.00 0.00 66.70 67.08 2k0f h VAL 31 Cb 0.18 1.46 -0.09 0.00 -1.52 0.00 0.00 31.29 31.32 2k0f h VAL 31 CO -0.01 0.18 -0.40 0.24 0.02 0.00 0.00 177.57 177.59 2k0f h MET 32 N -0.09 -0.29 -0.12 1.57 2.86 -1.26 -0.71 114.93 116.89 2k0f h MET 32 Ca 0.03 0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 2k0f h MET 32 Cb 0.26 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2k0f h MET 32 CO 0.00 -0.19 -0.34 0.00 1.06 0.00 0.00 176.91 177.44 2k0f h ARG 33 N -0.30 0.23 -0.45 1.72 3.08 -0.79 0.30 114.38 118.18 2k0f h ARG 33 Ca 0.15 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 2k0f h ARG 33 Cb 0.57 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2k0f h ARG 33 CO -0.58 0.55 0.03 0.77 -1.07 0.00 0.00 179.97 179.67 2k0f h SER 34 N 0.20 0.75 0.56 7.04 0.02 -1.26 -3.19 113.55 117.67 2k0f h SER 34 Ca 0.02 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 2k0f h SER 34 Cb 0.71 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.05 2k0f h SER 34 CO 0.05 0.85 -0.27 0.25 -1.14 0.00 0.00 176.83 176.58 2k0f h LEU 35 N 0.62 -0.64 0.00 5.07 5.85 -0.67 -3.40 115.31 122.15 2k0f h LEU 35 Ca 0.13 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2k0f h LEU 35 Cb 0.45 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2k0f h LEU 35 CO 0.02 -0.37 0.00 0.61 -0.34 0.00 0.00 178.44 178.35 2k0f n GLY 36 N -1.08 -0.32 3.35 3.75 0.00 -0.50 -4.79 105.19 105.60 2k0f n GLY 36 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 0.43 -0.49 1.61 -0.44 -0.02 -4.96 119.66 115.79 2k0f s GLN 37 Ca 0.00 0.97 -0.13 0.00 -2.50 0.00 0.00 55.36 53.70 2k0f s GLN 37 Cb 0.00 0.16 0.11 0.00 -1.64 0.00 0.00 33.01 31.64 2k0f s GLN 37 CO 0.00 -0.19 0.40 1.21 0.50 0.00 0.00 175.29 177.21 2k0f s ASN 38 N 1.89 5.96 0.40 6.67 2.47 -1.26 -2.40 114.94 128.66 2k0f s ASN 38 Ca -0.07 -1.68 0.00 0.00 0.42 0.00 0.00 52.86 51.53 2k0f s ASN 38 Cb -0.09 -2.11 0.00 0.00 -1.45 0.00 0.00 41.25 37.60 2k0f s ASN 38 CO -0.14 -0.72 0.00 -0.81 -3.72 0.00 0.00 177.10 171.71 2k0f n PRO 39 N 5.09 0.69 -3.88 0.43 -0.04 -1.26 -5.09 135.00 130.94 2k0f n PRO 39 Ca -0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.23 2k0f n PRO 39 Cb 0.41 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.74 2k0f n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k0f s THR 40 N -0.28 0.02 0.18 0.52 -4.23 -1.26 -5.08 115.64 105.50 2k0f s THR 40 Ca 0.00 -0.13 -0.05 0.00 -1.18 0.00 0.00 61.69 60.34 2k0f s THR 40 Cb 0.00 -0.06 -0.06 0.00 1.34 0.00 0.00 72.50 73.71 2k0f s THR 40 CO 0.00 -0.07 1.48 -0.08 -0.54 0.00 0.00 174.62 175.41 2k0f h GLU 41 N 5.91 0.61 -0.80 3.99 4.81 -1.99 -2.71 114.58 124.40 2k0f h GLU 41 Ca -0.25 -0.39 0.05 0.00 -0.13 0.00 0.00 59.36 58.64 2k0f h GLU 41 Cb 1.21 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.58 2k0f h GLU 41 CO 0.49 1.00 0.49 0.00 -0.73 0.00 0.00 179.01 180.26 2k0f h ALA 42 N 0.92 1.08 0.00 2.92 0.00 -2.00 -1.88 119.26 120.30 2k0f h ALA 42 Ca 0.01 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2k0f h ALA 42 Cb 1.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2k0f h ALA 42 CO 0.11 0.24 -0.99 0.93 0.00 0.00 0.00 179.25 179.55 2k0f h GLU 43 N 0.92 0.00 -0.31 0.00 5.08 -1.96 -3.26 114.58 115.04 2k0f h GLU 43 Ca 0.34 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.56 2k0f h GLU 43 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2k0f h GLU 43 CO -0.16 0.57 -0.38 1.25 -1.00 0.00 0.00 179.01 179.30 2k0f h LEU 44 N 0.00 0.77 -1.85 1.33 5.85 -1.20 -1.45 115.31 118.76 2k0f h LEU 44 Ca -0.08 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 2k0f h LEU 44 Cb 1.60 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 2k0f h LEU 44 CO 0.08 1.06 -0.14 0.06 -0.34 0.00 0.00 178.44 179.16 2k0f h GLN 45 N 0.60 0.00 0.10 1.25 3.07 -1.46 -1.04 115.11 117.63 2k0f h GLN 45 Ca 0.05 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.51 2k0f h GLN 45 Cb 0.92 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.50 2k0f h GLN 45 CO 0.08 0.14 -1.19 0.22 0.09 0.00 0.00 178.83 178.17 2k0f h ASP 46 N 0.00 0.69 -0.75 0.06 3.58 -1.35 0.15 116.42 118.80 2k0f h ASP 46 Ca -0.00 -0.64 0.12 0.00 0.42 0.00 0.00 57.03 56.93 2k0f h ASP 46 Cb 0.30 -0.22 -0.09 0.00 1.72 0.00 0.00 39.33 41.05 2k0f h ASP 46 CO 0.02 1.47 0.34 -0.03 -2.88 0.00 0.00 179.24 178.15 2k0f h MET 47 N 0.21 0.51 0.67 0.28 4.05 -0.65 -1.29 114.93 118.70 2k0f h MET 47 Ca -0.16 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.21 2k0f h MET 47 Cb 1.87 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 32.55 2k0f h MET 47 CO 0.22 0.34 -0.44 0.82 0.23 0.00 0.00 176.91 178.07 2k0f h ILE 48 N 0.52 0.00 0.00 1.77 2.04 -1.14 -3.24 117.51 117.46 2k0f h ILE 48 Ca 0.40 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.26 2k0f h ILE 48 Cb 0.54 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2k0f h ILE 48 CO -0.35 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.39 2k0f n ASN 49 N -5.18 0.15 -0.36 1.72 3.02 0.51 -1.51 115.26 113.62 2k0f n ASN 49 Ca -0.13 0.56 0.05 0.00 -0.03 0.00 0.00 54.58 55.03 2k0f n ASN 49 Cb 0.44 -0.58 0.22 0.00 -0.61 0.00 0.00 39.78 39.25 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 1.03 0.00 3.52 4.81 -1.27 -3.31 114.58 119.36 2k0f h GLU 50 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2k0f h GLU 50 Cb 0.11 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2k0f h GLU 50 CO 0.00 0.68 -1.10 1.33 -0.73 0.00 0.00 179.01 179.20 2k0f n VAL 51 N -4.56 0.00 -1.75 0.32 0.24 -0.57 -5.05 118.33 106.96 2k0f n VAL 51 Ca 0.17 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.34 61.84 2k0f n VAL 51 Cb 0.28 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k0f n ASP 52 N -1.62 3.44 0.07 -1.34 -0.08 -0.73 -4.96 116.55 111.33 2k0f n ASP 52 Ca -0.01 1.21 -0.22 0.00 -1.51 0.00 0.00 54.79 54.26 2k0f n ASP 52 Cb 0.19 -1.58 -0.15 0.00 2.34 0.00 0.00 41.12 41.92 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k0f h ALA 53 N 2.75 0.19 -0.01 -1.67 0.00 -1.93 -3.36 119.26 115.24 2k0f h ALA 53 Ca -0.49 -1.16 -0.00 0.00 0.00 0.00 0.00 54.91 53.26 2k0f h ALA 53 Cb 1.26 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 2k0f h ALA 53 CO 0.63 1.06 -0.00 -0.44 0.00 0.00 0.00 179.25 180.50 2k0f h ASP 54 N 0.10 0.02 -0.18 0.00 3.32 -1.96 -3.48 116.42 114.25 2k0f h ASP 54 Ca -0.34 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.32 2k0f h ASP 54 Cb 2.09 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.63 2k0f h ASP 54 CO 0.17 0.41 0.00 0.61 -1.72 0.00 0.00 179.24 178.71 2k0f n GLY 55 N -0.03 1.11 0.13 2.75 0.00 -1.26 -5.03 105.19 102.86 2k0f n GLY 55 Ca -0.08 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 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 0.92 1.90 0.00 1.61 0.23 -1.26 -5.00 115.26 113.66 2k0f n ASN 56 Ca 0.00 0.24 0.00 0.00 -0.53 0.00 0.00 54.58 54.29 2k0f n ASN 56 Cb 0.25 -0.71 0.00 0.00 -2.08 0.00 0.00 39.78 37.25 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 1.93 1.59 3.11 4.83 0.00 -1.26 -5.04 105.19 110.34 2k0f n GLY 57 Ca -0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 1.22 0.13 2.61 -4.23 -1.26 -4.67 115.64 107.44 2k0f s THR 58 Ca 0.00 -0.63 -0.30 0.00 -1.18 0.00 0.00 61.69 59.58 2k0f s THR 58 Cb 0.00 -1.04 -0.06 0.00 1.34 0.00 0.00 72.50 72.74 2k0f s THR 58 CO 0.00 0.35 1.04 -0.63 -0.54 0.00 0.00 174.62 174.84 2k0f s ILE 59 N -0.13 4.22 0.52 2.99 1.01 -0.77 -4.88 121.20 124.17 2k0f s ILE 59 Ca 0.01 1.84 0.08 0.00 0.00 0.00 0.00 60.65 62.58 2k0f s ILE 59 Cb -0.08 -4.18 0.05 0.00 0.01 0.00 0.00 42.46 38.26 2k0f s ILE 59 CO 0.00 0.28 0.61 -1.81 0.00 0.00 0.00 174.94 174.02 2k0f s ASP 60 N 0.07 5.08 0.08 3.58 1.11 -1.26 -0.44 116.67 124.88 2k0f s ASP 60 Ca 0.49 -0.86 -0.36 0.00 0.18 0.00 0.00 52.55 52.00 2k0f s ASP 60 Cb -0.26 0.04 -0.18 0.00 1.07 0.00 0.00 42.92 43.59 2k0f s ASP 60 CO 0.32 -1.09 1.58 0.15 1.18 0.00 0.00 175.17 177.30 2k0f h PHE 61 N 0.51 -1.25 0.00 4.23 3.57 -1.96 -1.86 116.94 120.17 2k0f h PHE 61 Ca -0.35 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.13 2k0f h PHE 61 Cb 1.29 0.45 -0.00 0.00 2.79 0.00 0.00 35.95 40.48 2k0f h PHE 61 CO 0.56 -0.69 -0.05 -1.35 -2.23 0.00 0.00 178.31 174.56 2k0f h PRO 62 N -1.11 0.00 0.27 6.41 0.11 -1.98 -1.09 132.00 134.60 2k0f h PRO 62 Ca -0.09 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 2k0f h PRO 62 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2k0f h PRO 62 CO 0.07 0.05 -0.13 0.93 -0.21 0.00 0.00 178.00 178.72 2k0f h GLU 63 N 0.00 -0.35 -0.94 1.05 5.08 -1.97 -0.30 114.58 117.15 2k0f h GLU 63 Ca -0.00 0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.66 2k0f h GLU 63 Cb 0.26 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.42 2k0f h GLU 63 CO 0.01 -0.23 0.19 0.35 -1.00 0.00 0.00 179.01 178.33 2k0f h PHE 64 N -0.43 0.25 -0.60 4.33 3.57 -1.28 0.43 116.94 123.20 2k0f h PHE 64 Ca -0.04 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.53 2k0f h PHE 64 Cb 0.27 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 2k0f h PHE 64 CO 0.12 -0.34 0.39 1.25 -2.23 0.00 0.00 178.31 177.50 2k0f h LEU 65 N 0.10 0.65 -0.79 0.59 5.85 -1.25 -0.03 115.31 120.43 2k0f h LEU 65 Ca 0.61 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 59.22 2k0f h LEU 65 Cb 1.31 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2k0f h LEU 65 CO -0.78 0.47 -0.45 0.74 -0.34 0.00 0.00 178.44 178.08 2k0f h THR 66 N 0.78 1.02 -0.27 1.05 2.02 0.19 -0.14 112.91 117.56 2k0f h THR 66 Ca 0.23 -1.76 -0.16 0.00 0.77 0.00 0.00 66.41 65.48 2k0f h THR 66 Cb -0.05 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 2k0f h THR 66 CO -0.07 0.45 -0.48 -0.03 0.37 0.00 0.00 175.52 175.76 2k0f h MET 67 N 0.00 0.73 0.00 6.66 1.85 0.17 -2.64 114.93 121.71 2k0f h MET 67 Ca -0.00 -0.43 -0.07 0.00 -0.61 0.00 0.00 59.70 58.59 2k0f h MET 67 Cb 1.01 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.06 2k0f h MET 67 CO 0.06 1.05 -0.46 0.52 -0.40 0.00 0.00 176.91 177.68 2k0f h MET 68 N 0.58 0.00 0.00 0.39 2.07 -0.87 -2.82 114.93 114.28 2k0f h MET 68 Ca 0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 2k0f h MET 68 Cb 1.04 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.77 2k0f h MET 68 CO 0.10 0.31 0.00 0.00 1.07 0.00 0.00 176.91 178.40 2k0f n ALA 69 N -2.20 1.48 -2.69 6.32 0.00 -0.08 -4.86 120.51 118.48 2k0f n ALA 69 Ca 0.02 -0.03 -0.37 0.00 0.00 0.00 0.00 53.44 53.05 2k0f n ALA 69 Cb 0.67 -1.17 -0.07 0.00 0.00 0.00 0.00 19.45 18.88 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 -3.01 4.11 0.19 0.00 3.52 -1.02 -5.03 118.95 117.71 2k0f s ARG 70 Ca 0.05 0.18 -0.04 0.00 -0.13 0.00 0.00 55.73 55.79 2k0f s ARG 70 Cb 0.07 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 30.05 2k0f s ARG 70 CO 0.20 0.38 0.42 0.15 -0.81 0.00 0.00 175.30 175.64 2k0f s LYS 71 N -0.00 3.60 0.00 5.12 1.02 -1.26 -5.03 119.74 123.19 2k0f s LYS 71 Ca 0.19 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.06 2k0f s LYS 71 Cb -0.14 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 2k0f s LYS 71 CO 0.07 0.40 0.00 -1.33 -0.92 0.00 0.00 175.35 173.56 2k0f n MET 72 N -0.31 0.21 -2.02 1.68 2.81 -1.26 -5.09 117.12 113.14 2k0f n MET 72 Ca -0.03 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.59 2k0f n MET 72 Cb 0.53 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 33.12 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 -2.65 2.01 0.18 0.03 1.02 -1.26 -4.93 119.74 114.14 2k0f s LYS 73 Ca 0.00 -0.06 -0.21 0.00 0.02 0.00 0.00 55.97 55.73 2k0f s LYS 73 Cb 0.00 -2.04 0.11 0.00 -0.52 0.00 0.00 37.83 35.38 2k0f s LYS 73 CO 0.00 -1.48 1.60 -0.44 -0.92 0.00 0.00 175.35 174.11 2k0f h ASP 74 N -0.89 -0.99 0.21 2.83 5.19 -2.00 -2.46 116.42 118.31 2k0f h ASP 74 Ca -0.45 0.20 0.01 0.00 -0.62 0.00 0.00 57.03 56.16 2k0f h ASP 74 Cb 1.32 0.49 -0.02 0.00 0.18 0.00 0.00 39.33 41.30 2k0f h ASP 74 CO 0.63 -0.29 -0.26 0.71 -3.12 0.00 0.00 179.24 176.91 2k0f h THR 75 N -0.18 0.44 -0.33 0.35 1.35 -2.02 -3.20 112.91 109.32 2k0f h THR 75 Ca 0.21 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.95 2k0f h THR 75 Cb 0.52 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 2k0f h THR 75 CO -0.59 0.00 -0.27 0.44 -0.25 0.00 0.00 175.52 174.85 2k0f h ASP 76 N -0.52 0.68 0.58 5.36 3.32 -1.95 -3.12 116.42 120.77 2k0f h ASP 76 Ca 0.01 -0.26 -0.13 0.00 0.02 0.00 0.00 57.03 56.67 2k0f h ASP 76 Cb 0.50 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2k0f h ASP 76 CO -0.09 0.92 -0.60 0.77 -1.72 0.00 0.00 179.24 178.53 2k0f h SER 77 N 0.58 0.02 0.62 6.45 4.64 -1.44 -2.67 113.55 121.75 2k0f h SER 77 Ca 0.07 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 2k0f h SER 77 Cb 0.76 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 2k0f h SER 77 CO 0.06 0.61 -0.54 -0.33 -0.87 0.00 0.00 176.83 175.76 2k0f h GLU 78 N 0.01 0.00 -0.56 4.77 5.08 -1.58 -1.60 114.58 120.71 2k0f h GLU 78 Ca -0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2k0f h GLU 78 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2k0f h GLU 78 CO 0.08 0.54 -0.07 0.93 -1.00 0.00 0.00 179.01 179.49 2k0f h GLU 79 N 0.00 1.03 -0.44 2.33 4.39 -1.57 -1.31 114.58 119.01 2k0f h GLU 79 Ca -0.01 -0.36 0.06 0.00 0.34 0.00 0.00 59.36 59.39 2k0f h GLU 79 Cb 1.00 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.52 2k0f h GLU 79 CO 0.07 1.05 0.15 0.93 -1.16 0.00 0.00 179.01 180.05 2k0f h GLU 80 N 0.92 0.30 -0.67 2.33 5.08 -1.18 -0.58 114.58 120.78 2k0f h GLU 80 Ca 0.15 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2k0f h GLU 80 Cb 0.64 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2k0f h GLU 80 CO 0.04 0.20 0.22 0.82 -1.00 0.00 0.00 179.01 179.29 2k0f h ILE 81 N 0.31 1.25 -0.85 3.13 1.08 -1.15 -0.91 117.51 120.38 2k0f h ILE 81 Ca 0.21 -0.86 0.01 0.00 -0.39 0.00 0.00 64.86 63.84 2k0f h ILE 81 Cb 0.21 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 34.45 2k0f h ILE 81 CO -0.22 0.33 0.56 0.03 -0.69 0.00 0.00 178.15 178.17 2k0f h ARG 82 N 0.97 1.10 0.00 2.37 3.08 -0.67 0.34 114.38 121.58 2k0f h ARG 82 Ca 0.22 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 2k0f h ARG 82 Cb 0.29 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2k0f h ARG 82 CO -0.01 0.73 -0.39 0.93 -1.07 0.00 0.00 179.97 180.17 2k0f h GLU 83 N 1.14 0.00 0.00 0.04 4.39 -1.06 0.55 114.58 119.64 2k0f h GLU 83 Ca 0.32 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.86 2k0f h GLU 83 Cb -0.10 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2k0f h GLU 83 CO -0.08 0.39 -0.75 0.00 -1.16 0.00 0.00 179.01 177.40 2k0f h ALA 84 N 1.61 0.69 -0.31 3.43 0.00 -0.77 -1.77 119.26 122.15 2k0f h ALA 84 Ca -0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 2k0f h ALA 84 Cb 1.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2k0f h ALA 84 CO 0.05 0.94 -0.01 0.35 0.00 0.00 0.00 179.25 180.59 2k0f h PHE 85 N 0.00 0.60 0.00 0.00 3.57 -0.51 -2.99 116.94 117.60 2k0f h PHE 85 Ca -0.01 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2k0f h PHE 85 Cb 1.39 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.97 2k0f h PHE 85 CO 0.00 0.68 0.00 -0.09 -2.23 0.00 0.00 178.31 176.67 2k0f h ARG 86 N 0.34 0.00 0.27 1.11 2.43 -0.84 -1.01 114.38 116.68 2k0f h ARG 86 Ca 0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2k0f h ARG 86 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2k0f h ARG 86 CO 0.02 0.00 -0.13 0.28 -1.51 0.00 0.00 179.97 178.63 2k0f h VAL 87 N 0.00 0.77 -0.26 0.20 2.07 -1.18 -3.36 116.25 114.47 2k0f h VAL 87 Ca 0.00 -0.62 -0.09 0.00 0.82 0.00 0.00 66.70 66.81 2k0f h VAL 87 Cb 0.13 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2k0f h VAL 87 CO 0.00 0.13 -0.22 -0.26 0.02 0.00 0.00 177.57 177.23 2k0f h PHE 88 N -0.70 0.54 -3.18 1.57 0.04 -1.18 -3.39 116.94 110.64 2k0f h PHE 88 Ca -0.04 -0.11 -0.75 0.00 2.80 0.00 0.00 57.97 59.88 2k0f h PHE 88 Cb 0.48 -0.14 -0.23 0.00 2.20 0.00 0.00 35.95 38.26 2k0f h PHE 88 CO 0.03 0.68 0.02 0.34 -0.60 0.00 0.00 178.31 178.77 2k0f s ASP 89 N -6.80 6.36 0.06 2.17 2.15 -0.47 -4.67 116.67 115.48 2k0f s ASP 89 Ca -0.07 -1.94 -0.17 0.00 0.43 0.00 0.00 52.55 50.80 2k0f s ASP 89 Cb 0.14 -2.25 -0.15 0.00 -0.30 0.00 0.00 42.92 40.36 2k0f s ASP 89 CO 0.79 -0.87 1.29 0.11 -0.17 0.00 0.00 175.17 176.32 2k0f h LYS 90 N 8.68 0.58 0.00 4.34 1.79 -1.84 -3.36 116.57 126.76 2k0f h LYS 90 Ca -0.16 -0.42 0.00 0.00 -2.18 0.00 0.00 60.65 57.89 2k0f h LYS 90 Cb 1.08 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2k0f h LYS 90 CO 0.99 1.04 0.00 -0.40 -1.08 0.00 0.00 179.45 179.99 2k0f n ASP 91 N -4.23 0.00 0.00 0.86 5.68 -1.26 -5.03 116.55 112.56 2k0f n ASP 91 Ca -0.07 0.59 0.00 0.00 -0.50 0.00 0.00 54.79 54.81 2k0f n ASP 91 Cb 0.57 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 2k0f n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 92 N 0.71 0.36 0.09 6.12 0.00 -1.26 -5.05 105.19 106.16 2k0f n GLY 92 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.58 1.61 -1.07 -1.96 -3.48 115.58 110.10 2k0f h ASN 93 Ca 0.00 -0.10 -0.10 0.00 0.07 0.00 0.00 56.30 56.17 2k0f h ASN 93 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 2k0f h ASN 93 CO 0.00 0.05 -0.12 0.61 0.07 0.00 0.00 177.43 178.05 2k0f n GLY 94 N 1.31 0.30 2.72 9.14 0.00 -1.26 -5.04 105.19 112.36 2k0f n GLY 94 Ca 0.04 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.23 -0.07 -0.19 1.61 2.02 -1.26 -4.11 117.35 113.12 2k0f s TYR 95 Ca 0.00 0.18 -0.23 0.00 -0.37 0.00 0.00 57.07 56.65 2k0f s TYR 95 Cb 0.00 -0.44 -0.02 0.00 -0.40 0.00 0.00 41.96 41.10 2k0f s TYR 95 CO 0.00 -0.43 0.73 0.42 -1.57 0.00 0.00 175.55 174.70 2k0f s ILE 96 N 2.24 4.94 0.46 2.71 1.01 0.68 -4.92 121.20 128.33 2k0f s ILE 96 Ca 0.04 1.41 0.07 0.00 0.00 0.00 0.00 60.65 62.16 2k0f s ILE 96 Cb -0.14 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 2k0f s ILE 96 CO -0.08 0.05 0.31 -0.94 0.00 0.00 0.00 174.94 174.28 2k0f s SER 97 N 1.21 4.66 0.22 3.58 1.04 -1.26 -1.68 113.70 121.46 2k0f s SER 97 Ca 0.33 -1.06 -0.09 0.00 0.48 0.00 0.00 55.95 55.61 2k0f s SER 97 Cb -0.16 -0.17 0.32 0.00 0.10 0.00 0.00 66.02 66.11 2k0f s SER 97 CO 0.11 -0.78 1.72 0.00 0.98 0.00 0.00 173.24 175.27 2k0f h ALA 98 N 1.08 0.80 -0.38 5.32 0.00 -1.96 -0.78 119.26 123.33 2k0f h ALA 98 Ca -0.40 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2k0f h ALA 98 Cb 1.28 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2k0f h ALA 98 CO 0.62 -0.25 0.11 0.00 0.00 0.00 0.00 179.25 179.73 2k0f h ALA 99 N 1.47 0.50 -0.07 0.00 0.00 -1.99 -2.77 119.26 116.40 2k0f h ALA 99 Ca 0.33 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2k0f h ALA 99 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2k0f h ALA 99 CO -0.37 0.16 -0.60 0.93 0.00 0.00 0.00 179.25 179.37 2k0f h GLU 100 N 0.47 0.24 -0.66 0.00 5.08 -1.65 -1.39 114.58 116.67 2k0f h GLU 100 Ca 0.12 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2k0f h GLU 100 Cb 0.28 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2k0f h GLU 100 CO -0.00 0.77 0.17 1.25 -1.00 0.00 0.00 179.01 180.20 2k0f h LEU 101 N 0.18 0.99 -0.31 1.33 6.46 -1.20 -0.86 115.31 121.91 2k0f h LEU 101 Ca -0.01 -0.23 0.06 0.00 -0.12 0.00 0.00 57.88 57.59 2k0f h LEU 101 Cb 1.11 -0.26 -0.08 0.00 -0.73 0.00 0.00 40.66 40.70 2k0f h LEU 101 CO 0.09 0.96 -0.38 0.03 -0.62 0.00 0.00 178.44 178.52 2k0f h ARG 102 N 0.98 -0.34 0.32 1.25 3.08 -1.43 -1.97 114.38 116.27 2k0f h ARG 102 Ca 0.21 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 2k0f h ARG 102 Cb 0.35 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2k0f h ARG 102 CO 0.00 -0.22 -0.15 0.45 -1.07 0.00 0.00 179.97 178.97 2k0f h HIS 103 N -0.35 -0.40 -0.04 3.04 3.86 -0.75 -1.45 115.15 119.06 2k0f h HIS 103 Ca 0.13 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.28 2k0f h HIS 103 Cb 0.58 0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 2k0f h HIS 103 CO -0.54 -0.20 -0.22 0.28 0.86 0.00 0.00 177.93 178.11 2k0f h VAL 104 N -0.50 1.18 0.01 2.45 2.07 -1.16 -2.41 116.25 117.88 2k0f h VAL 104 Ca -0.04 -0.84 -0.23 0.00 0.82 0.00 0.00 66.70 66.40 2k0f h VAL 104 Cb 0.38 1.40 0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2k0f h VAL 104 CO 0.07 0.25 -0.97 0.24 0.02 0.00 0.00 177.57 177.17 2k0f h MET 105 N 0.06 0.44 -0.61 1.57 2.86 -1.18 -1.54 114.93 116.52 2k0f h MET 105 Ca 0.01 -0.48 -0.06 0.00 -2.06 0.00 0.00 59.70 57.11 2k0f h MET 105 Cb 0.43 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 2k0f h MET 105 CO 0.03 1.14 0.15 0.00 1.06 0.00 0.00 176.91 179.29 2k0f h THR 106 N 0.24 1.25 0.34 2.22 1.03 -1.05 -1.22 112.91 115.72 2k0f h THR 106 Ca -0.09 -0.91 -0.00 0.00 -0.01 0.00 0.00 66.41 65.40 2k0f h THR 106 Cb 1.62 0.68 -0.03 0.00 -1.07 0.00 0.00 68.15 69.34 2k0f h THR 106 CO 0.17 0.34 -0.52 0.78 -0.01 0.00 0.00 175.52 176.28 2k0f h ASN 107 N 0.89 -1.48 0.33 0.00 4.21 -1.47 -3.29 115.58 114.76 2k0f h ASN 107 Ca 0.19 0.14 -0.08 0.00 1.21 0.00 0.00 56.30 57.76 2k0f h ASN 107 Cb 0.35 0.52 -0.01 0.00 -1.12 0.00 0.00 38.32 38.05 2k0f h ASN 107 CO 0.00 -0.62 -0.37 0.25 -1.29 0.00 0.00 177.43 175.40 2k0f h LEU 108 N -0.90 0.06 0.00 1.61 5.85 -1.19 -3.24 115.31 117.49 2k0f h LEU 108 Ca -0.04 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2k0f h LEU 108 Cb 0.83 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2k0f h LEU 108 CO -0.16 0.42 0.00 0.61 -0.34 0.00 0.00 178.44 178.97 2k0f n GLY 109 N -0.43 0.69 3.22 3.75 0.00 -0.53 -4.82 105.19 107.08 2k0f n GLY 109 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 0.61 2.51 -1.10 1.61 0.41 -0.82 -5.04 118.70 116.88 2k0f s GLU 110 Ca 0.00 -1.27 -0.08 0.00 -0.41 0.00 0.00 54.97 53.21 2k0f s GLU 110 Cb 0.00 -3.38 -0.13 0.00 -1.78 0.00 0.00 34.13 28.85 2k0f s GLU 110 CO 0.00 -0.69 3.12 1.63 -0.49 0.00 0.00 175.26 178.83 2k0f n LYS 111 N 4.73 3.23 -2.25 1.61 5.02 -1.26 -4.45 118.16 124.79 2k0f n LYS 111 Ca -0.12 -1.93 -0.26 0.00 -2.02 0.00 0.00 58.31 53.98 2k0f n LYS 111 Cb 0.44 -2.54 0.06 0.00 -0.02 0.00 0.00 35.03 32.97 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2k0f s LEU 112 N -0.09 2.96 0.49 -0.35 2.34 -1.26 -5.12 118.68 117.65 2k0f s LEU 112 Ca 0.68 0.56 0.08 0.00 0.06 0.00 0.00 54.13 55.51 2k0f s LEU 112 Cb 0.23 -3.28 0.04 0.00 -0.56 0.00 0.00 46.19 42.62 2k0f s LEU 112 CO -0.05 -1.41 0.61 0.42 -1.06 0.00 0.00 176.35 174.86 2k0f s THR 113 N -3.17 2.53 0.27 5.48 -4.23 -1.26 -5.03 115.64 110.24 2k0f s THR 113 Ca 0.58 -1.09 -0.01 0.00 -1.18 0.00 0.00 61.69 59.99 2k0f s THR 113 Cb -0.11 -2.62 0.26 0.00 1.34 0.00 0.00 72.50 71.37 2k0f s THR 113 CO 0.45 0.00 1.83 0.44 -0.54 0.00 0.00 174.62 176.80 2k0f h ASP 114 N 0.54 0.85 0.41 3.99 3.32 -2.00 -1.22 116.42 122.31 2k0f h ASP 114 Ca -0.36 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.70 2k0f h ASP 114 Cb 1.28 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 2k0f h ASP 114 CO 0.46 0.47 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.95 2k0f h GLU 115 N 0.94 0.00 0.09 3.56 3.07 -1.98 -1.72 114.58 118.54 2k0f h GLU 115 Ca 0.46 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 59.03 2k0f h GLU 115 Cb 0.41 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 2k0f h GLU 115 CO -0.25 0.17 -1.41 0.93 -1.40 0.00 0.00 179.01 177.05 2k0f h GLU 116 N 0.00 0.20 -0.10 2.33 5.08 -1.63 -3.09 114.58 117.36 2k0f h GLU 116 Ca -0.00 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2k0f h GLU 116 Cb 0.42 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2k0f h GLU 116 CO 0.02 1.07 0.06 0.28 -1.00 0.00 0.00 179.01 179.44 2k0f h VAL 117 N 0.05 1.04 -1.00 3.13 2.07 -1.13 -2.77 116.25 117.64 2k0f h VAL 117 Ca -0.19 -0.09 0.20 0.00 0.82 0.00 0.00 66.70 67.44 2k0f h VAL 117 Cb 1.97 0.92 -0.11 0.00 -1.52 0.00 0.00 31.29 32.55 2k0f h VAL 117 CO 0.16 0.04 0.60 -0.78 0.02 0.00 0.00 177.57 177.60 2k0f h ASP 118 N 0.12 0.74 0.02 0.57 3.58 -1.48 -2.62 116.42 117.35 2k0f h ASP 118 Ca 0.04 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 2k0f h ASP 118 Cb 0.00 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2k0f h ASP 118 CO -0.01 0.23 -0.01 -0.08 -2.88 0.00 0.00 179.24 176.49 2k0f h GLU 119 N 0.71 -0.02 -0.35 0.28 4.81 -1.41 -2.21 114.58 116.39 2k0f h GLU 119 Ca 0.59 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.71 2k0f h GLU 119 Cb 0.97 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2k0f h GLU 119 CO -0.41 0.24 -0.25 0.52 -0.73 0.00 0.00 179.01 178.38 2k0f h MET 120 N -0.28 0.71 0.74 1.92 2.86 -1.32 -2.35 114.93 117.20 2k0f h MET 120 Ca -0.00 -0.29 -0.04 0.00 -2.06 0.00 0.00 59.70 57.31 2k0f h MET 120 Cb 0.27 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.91 2k0f h MET 120 CO 0.00 0.89 -0.36 0.82 1.06 0.00 0.00 176.91 179.32 2k0f h ILE 121 N 0.61 0.26 -0.86 -1.22 1.08 -1.44 -2.98 117.51 112.95 2k0f h ILE 121 Ca 0.08 -0.04 0.19 0.00 -0.39 0.00 0.00 64.86 64.71 2k0f h ILE 121 Cb 0.75 0.27 -0.11 0.00 -3.07 0.00 0.00 36.82 34.65 2k0f h ILE 121 CO 0.06 0.00 0.38 0.03 -0.69 0.00 0.00 178.15 177.94 2k0f h ARG 122 N -1.02 0.44 -0.07 2.37 3.08 -1.28 0.35 114.38 118.25 2k0f h ARG 122 Ca -0.10 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2k0f h ARG 122 Cb 0.77 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 2k0f h ARG 122 CO 0.17 0.29 0.01 1.49 -1.07 0.00 0.00 179.97 180.86 2k0f h GLU 123 N 0.46 0.11 -0.19 0.04 4.81 -1.51 -3.28 114.58 115.02 2k0f h GLU 123 Ca 0.51 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.71 2k0f h GLU 123 Cb 0.90 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 2k0f h GLU 123 CO -0.47 0.34 0.11 0.00 -0.73 0.00 0.00 179.01 178.26 2k0f h ALA 124 N 0.77 0.24 -2.45 2.92 0.00 -1.31 -3.45 119.26 115.98 2k0f h ALA 124 Ca 0.02 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.35 2k0f h ALA 124 Cb 0.28 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2k0f h ALA 124 CO 0.00 -0.25 0.76 0.34 0.00 0.00 0.00 179.25 180.11 2k0f s ASP 125 N -5.43 6.87 -0.23 0.00 2.15 0.12 -4.84 116.67 115.30 2k0f s ASP 125 Ca -0.13 2.19 -0.18 0.00 0.43 0.00 0.00 52.55 54.86 2k0f s ASP 125 Cb 0.08 -2.57 -0.15 0.00 -0.30 0.00 0.00 42.92 39.98 2k0f s ASP 125 CO 0.69 -0.66 -0.08 -0.38 -0.17 0.00 0.00 175.17 174.57 2k0f n ILE 126 N 4.30 1.53 0.00 4.11 5.41 -1.26 -4.73 119.36 128.71 2k0f n ILE 126 Ca 0.12 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.71 2k0f n ILE 126 Cb 0.43 -2.00 0.00 0.00 -0.71 0.00 0.00 39.64 37.36 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -4.36 0.00 0.00 4.38 5.68 -1.26 -5.01 116.55 115.98 2k0f n ASP 127 Ca -0.40 0.58 0.00 0.00 -0.50 0.00 0.00 54.79 54.47 2k0f n ASP 127 Cb 0.74 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 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 1.06 0.02 0.25 6.12 0.00 -1.26 -5.03 105.19 106.35 2k0f n GLY 128 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 1.61 2.03 -1.97 -3.45 116.42 114.64 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 129 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 2k0f n GLY 130 N -0.61 0.71 3.75 7.15 0.00 -1.26 -5.06 105.19 109.86 2k0f n GLY 130 Ca -0.01 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.64 2.69 -0.28 1.61 -0.21 -1.26 -4.74 119.66 116.83 2k0f s GLN 131 Ca 0.00 -1.06 -0.04 0.00 0.02 0.00 0.00 55.36 54.28 2k0f s GLN 131 Cb 0.00 -2.48 0.02 0.00 1.00 0.00 0.00 33.01 31.55 2k0f s GLN 131 CO 0.00 0.44 0.02 0.08 -2.12 0.00 0.00 175.29 173.71 2k0f s VAL 132 N -1.92 3.47 0.48 1.09 1.01 -0.68 -4.56 120.40 119.29 2k0f s VAL 132 Ca 0.30 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2k0f s VAL 132 Cb -0.09 -2.80 0.09 0.00 0.00 0.00 0.00 36.38 33.59 2k0f s VAL 132 CO 0.22 0.11 0.66 -0.46 0.00 0.00 0.00 175.10 175.63 2k0f n ASN 133 N 4.77 1.04 -0.15 3.32 6.94 -1.26 -0.23 115.26 129.69 2k0f n ASN 133 Ca -0.15 -1.84 0.02 0.00 -0.02 0.00 0.00 54.58 52.58 2k0f n ASN 133 Cb 0.47 -0.41 0.30 0.00 -2.36 0.00 0.00 39.78 37.78 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 2k0f h TYR 134 N -0.41 0.81 -0.54 -2.53 3.20 -2.00 -0.05 116.97 115.45 2k0f h TYR 134 Ca -0.22 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.59 2k0f h TYR 134 Cb 0.84 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 2k0f h TYR 134 CO 0.00 0.51 0.03 1.49 -1.64 0.00 0.00 178.16 178.55 2k0f h GLU 135 N 0.87 0.94 0.00 1.82 4.81 -1.95 -2.52 114.58 118.55 2k0f h GLU 135 Ca 0.24 -0.29 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2k0f h GLU 135 Cb -0.09 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 2k0f h GLU 135 CO -0.05 0.94 -0.17 0.93 -0.73 0.00 0.00 179.01 179.93 2k0f h GLU 136 N 0.82 0.00 0.06 1.92 5.08 -1.69 -2.88 114.58 117.89 2k0f h GLU 136 Ca 0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2k0f h GLU 136 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2k0f h GLU 136 CO 0.02 0.17 -0.03 0.35 -1.00 0.00 0.00 179.01 178.52 2k0f h PHE 137 N 0.00 -0.08 -0.78 4.33 3.57 -0.80 -2.59 116.94 120.59 2k0f h PHE 137 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2k0f h PHE 137 Cb 0.54 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 2k0f h PHE 137 CO 0.00 0.41 0.43 0.28 -2.23 0.00 0.00 178.31 177.21 2k0f h VAL 138 N -0.62 1.23 0.00 1.41 2.07 -1.41 -2.84 116.25 116.09 2k0f h VAL 138 Ca -0.01 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2k0f h VAL 138 Cb 0.53 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2k0f h VAL 138 CO 0.01 0.26 -0.05 1.56 0.02 0.00 0.00 177.57 179.37 2k0f h GLN 139 N 1.08 0.00 -0.35 1.57 1.08 -1.57 0.17 115.11 117.09 2k0f h GLN 139 Ca 0.28 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.39 2k0f h GLN 139 Cb 0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2k0f h GLN 139 CO -0.05 0.00 -0.10 1.98 -0.95 0.00 0.00 178.83 179.71 2k0f h MET 140 N 0.00 0.70 0.07 1.46 1.85 -1.22 -3.38 114.93 114.41 2k0f h MET 140 Ca 0.00 -0.28 -0.00 0.00 -0.61 0.00 0.00 59.70 58.81 2k0f h MET 140 Cb 0.77 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.77 2k0f h MET 140 CO 0.00 0.86 -0.03 0.52 -0.40 0.00 0.00 176.91 177.86 2k0f h MET 141 N 0.48 -0.09 0.00 0.39 2.86 -1.13 -3.52 114.93 113.92 2k0f h MET 141 Ca 0.09 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2k0f h MET 141 Cb 0.62 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2k0f h MET 141 CO 0.04 0.46 0.00 0.25 1.06 0.00 0.00 176.91 178.72