#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 -4.03 -0.78 2.13 -1.26 -5.09 120.64 111.62 2k0f n GLU 2 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2k0f n GLU 2 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 2k0f n GLU 2 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2k0f s GLU 3 N 0.49 0.44 0.06 5.31 2.02 -1.26 -5.06 118.70 120.69 2k0f s GLU 3 Ca 0.00 -0.79 0.18 0.00 0.02 0.00 0.00 54.97 54.37 2k0f s GLU 3 Cb 0.00 0.04 -0.14 0.00 0.10 0.00 0.00 34.13 34.13 2k0f s GLU 3 CO 0.00 -0.04 0.79 1.04 0.02 0.00 0.00 175.26 177.06 2k0f n GLN 4 N 1.20 0.62 0.02 1.61 6.02 -1.26 -3.56 117.38 122.04 2k0f n GLN 4 Ca -0.21 0.18 -0.13 0.00 -0.01 0.00 0.00 57.00 56.83 2k0f n GLN 4 Cb 0.56 -1.78 -0.01 0.00 1.02 0.00 0.00 30.24 30.04 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 1.34 -0.68 5.09 1.08 -1.98 -2.18 117.51 120.18 2k0f h ILE 5 Ca -0.16 -2.08 0.01 0.00 -0.39 0.00 0.00 64.86 62.24 2k0f h ILE 5 Cb 1.53 2.06 -0.03 0.00 -3.07 0.00 0.00 36.82 37.31 2k0f h ILE 5 CO 0.04 0.64 0.44 0.00 -0.69 0.00 0.00 178.15 178.58 2k0f h ALA 6 N 0.80 0.86 -0.36 1.87 0.00 -2.00 0.24 119.26 120.66 2k0f h ALA 6 Ca -0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2k0f h ALA 6 Cb 1.35 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2k0f h ALA 6 CO 0.14 0.27 0.02 0.93 0.00 0.00 0.00 179.25 180.61 2k0f h GLU 7 N 0.90 0.63 0.74 0.00 5.08 -1.60 -3.12 114.58 117.22 2k0f h GLU 7 Ca 0.25 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2k0f h GLU 7 Cb -0.09 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.11 2k0f h GLU 7 CO -0.06 0.72 -0.36 0.35 -1.00 0.00 0.00 179.01 178.66 2k0f h PHE 8 N 0.45 -0.92 -0.52 4.33 3.57 -0.86 -3.00 116.94 119.99 2k0f h PHE 8 Ca 0.11 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.68 2k0f h PHE 8 Cb 0.42 0.31 -0.08 0.00 2.79 0.00 0.00 35.95 39.39 2k0f h PHE 8 CO 0.03 -0.57 0.07 -0.22 -2.23 0.00 0.00 178.31 175.40 2k0f h LYS 9 N -1.24 0.19 -0.47 1.11 3.64 -0.62 -0.22 116.57 118.96 2k0f h LYS 9 Ca -0.10 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 2k0f h LYS 9 Cb 0.77 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2k0f h LYS 9 CO 0.17 0.13 0.16 0.93 -2.27 0.00 0.00 179.45 178.56 2k0f h GLU 10 N 0.20 0.69 -0.28 1.90 5.08 -1.66 -1.50 114.58 119.00 2k0f h GLU 10 Ca 0.26 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 10 Cb 0.38 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2k0f h GLU 10 CO -0.37 0.59 -0.10 0.00 -1.00 0.00 0.00 179.01 178.13 2k0f h ALA 11 N 1.50 1.30 -0.24 3.43 0.00 -0.91 -1.45 119.26 122.89 2k0f h ALA 11 Ca 0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2k0f h ALA 11 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k0f h ALA 11 CO -0.01 0.47 -0.05 0.35 0.00 0.00 0.00 179.25 180.01 2k0f h PHE 12 N 0.44 0.51 0.00 0.00 3.04 -1.32 -3.24 116.94 116.37 2k0f h PHE 12 Ca 0.09 -0.11 -0.04 0.00 3.98 0.00 0.00 57.97 61.89 2k0f h PHE 12 Cb 0.45 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 2k0f h PHE 12 CO 0.01 0.67 -0.18 0.77 -2.02 0.00 0.00 178.31 177.57 2k0f h SER 13 N 0.20 0.00 0.42 0.41 0.02 -0.54 -0.75 113.55 113.31 2k0f h SER 13 Ca 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2k0f h SER 13 Cb 0.50 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2k0f h SER 13 CO 0.02 0.18 -0.34 0.25 -1.14 0.00 0.00 176.83 175.80 2k0f h LEU 14 N 0.00 -0.89 -0.04 5.07 5.85 -1.32 -3.27 115.31 120.71 2k0f h LEU 14 Ca -0.00 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2k0f h LEU 14 Cb 0.47 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2k0f h LEU 14 CO 0.02 -0.50 -0.07 -0.26 -0.34 0.00 0.00 178.44 177.30 2k0f h PHE 15 N -0.76 0.14 -2.16 1.25 0.04 -1.64 -3.42 116.94 110.40 2k0f h PHE 15 Ca -0.04 -0.05 -0.56 0.00 2.80 0.00 0.00 57.97 60.12 2k0f h PHE 15 Cb 0.66 -0.03 -0.09 0.00 2.20 0.00 0.00 35.95 38.69 2k0f h PHE 15 CO -0.16 0.65 1.10 0.34 -0.60 0.00 0.00 178.31 179.64 2k0f s ASP 16 N -5.92 6.23 0.15 2.17 2.15 -0.30 -4.69 116.67 116.47 2k0f s ASP 16 Ca -0.16 -0.69 0.20 0.00 0.43 0.00 0.00 52.55 52.33 2k0f s ASP 16 Cb 0.02 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 40.04 2k0f s ASP 16 CO 0.70 -1.74 0.97 0.50 -0.17 0.00 0.00 175.17 175.43 2k0f h LYS 17 N 9.94 0.00 0.00 4.34 1.63 -1.83 -3.43 116.57 127.23 2k0f h LYS 17 Ca -0.19 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2k0f h LYS 17 Cb 1.04 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 2k0f h LYS 17 CO 1.30 0.12 0.00 -0.40 -3.45 0.00 0.00 179.45 177.01 2k0f n ASP 18 N -2.77 0.00 0.00 4.20 5.68 -1.26 -5.06 116.55 117.34 2k0f n ASP 18 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 2k0f n ASP 18 Cb 0.66 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 19 N 3.56 0.00 0.15 6.12 0.00 -1.26 -5.02 105.19 108.74 2k0f n GLY 19 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.29 -0.21 1.61 3.04 -1.97 -3.47 116.42 115.70 2k0f h ASP 20 Ca 0.00 -0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.60 2k0f h ASP 20 Cb 0.00 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.21 2k0f h ASP 20 CO 0.00 0.90 0.00 0.61 -2.04 0.00 0.00 179.24 178.71 2k0f n GLY 21 N 0.50 0.91 2.75 7.15 0.00 -1.26 -5.06 105.19 110.18 2k0f n GLY 21 Ca -0.03 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.21 0.63 -0.30 2.61 -4.23 -1.26 -4.04 115.64 106.84 2k0f s THR 22 Ca 0.00 -0.72 -0.28 0.00 -1.18 0.00 0.00 61.69 59.51 2k0f s THR 22 Cb 0.00 -1.17 0.01 0.00 1.34 0.00 0.00 72.50 72.68 2k0f s THR 22 CO 0.00 -0.27 1.03 -0.63 -0.54 0.00 0.00 174.62 174.21 2k0f s ILE 23 N 1.80 4.58 0.79 2.99 1.01 -0.34 -4.89 121.20 127.14 2k0f s ILE 23 Ca 0.00 1.73 -0.12 0.00 0.00 0.00 0.00 60.65 62.26 2k0f s ILE 23 Cb -0.17 -4.36 0.07 0.00 0.01 0.00 0.00 42.46 38.00 2k0f s ILE 23 CO -0.11 -0.39 1.14 0.42 0.00 0.00 0.00 174.94 176.00 2k0f s THR 24 N 3.48 2.60 -0.05 2.92 -4.23 -1.26 -1.91 115.64 117.19 2k0f s THR 24 Ca 0.44 0.20 0.21 0.00 -1.18 0.00 0.00 61.69 61.35 2k0f s THR 24 Cb -0.13 -3.12 0.20 0.00 1.34 0.00 0.00 72.50 70.78 2k0f s THR 24 CO 0.13 -0.26 1.67 0.71 -0.54 0.00 0.00 174.62 176.34 2k0f h THR 25 N -1.00 0.56 -0.38 3.99 1.35 -1.95 -1.60 112.91 113.87 2k0f h THR 25 Ca -0.46 -1.46 -0.13 0.00 -0.55 0.00 0.00 66.41 63.81 2k0f h THR 25 Cb 1.30 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 69.73 2k0f h THR 25 CO 0.64 0.27 -0.26 0.50 -0.25 0.00 0.00 175.52 176.43 2k0f h LYS 26 N 0.00 0.85 -0.37 4.72 3.64 -1.97 -0.02 116.57 123.41 2k0f h LYS 26 Ca -0.00 -0.40 -0.13 0.00 -1.27 0.00 0.00 60.65 58.85 2k0f h LYS 26 Cb 1.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 2k0f h LYS 26 CO 0.04 1.04 -0.28 0.93 -2.27 0.00 0.00 179.45 178.91 2k0f h GLU 27 N 0.65 0.84 0.14 1.90 5.08 -1.70 0.55 114.58 122.04 2k0f h GLU 27 Ca 0.08 -0.41 0.02 0.00 -1.00 0.00 0.00 59.36 58.04 2k0f h GLU 27 Cb 0.83 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 2k0f h GLU 27 CO 0.07 1.05 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.77 2k0f h LEU 28 N 0.64 -0.81 -0.66 1.33 3.38 -1.38 -2.95 115.31 114.85 2k0f h LEU 28 Ca 0.07 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.19 2k0f h LEU 28 Cb 0.85 0.31 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 2k0f h LEU 28 CO 0.07 -0.38 0.36 1.23 0.09 0.00 0.00 178.44 179.81 2k0f h GLY 29 N -0.51 0.96 0.48 0.83 0.00 -0.83 -1.36 103.07 102.64 2k0f h GLY 29 Ca 0.03 -0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.16 2k0f h GLY 29 CO -0.16 0.14 -0.11 -0.84 0.00 0.00 0.00 176.54 175.57 2k0f h THR 30 N 0.65 0.67 -0.06 4.70 2.02 0.02 0.84 112.91 121.75 2k0f h THR 30 Ca 0.30 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.50 2k0f h THR 30 Cb 0.21 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2k0f h THR 30 CO -0.19 0.00 -0.10 0.58 0.37 0.00 0.00 175.52 176.18 2k0f h VAL 31 N -0.10 0.72 0.04 3.16 2.07 -1.40 -1.09 116.25 119.65 2k0f h VAL 31 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 2k0f h VAL 31 Cb 0.26 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2k0f h VAL 31 CO -0.25 0.00 -0.02 0.24 0.02 0.00 0.00 177.57 177.56 2k0f h MET 32 N -0.14 -0.05 -0.30 1.57 2.86 -0.95 0.23 114.93 118.14 2k0f h MET 32 Ca 0.06 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.77 2k0f h MET 32 Cb 0.23 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.82 2k0f h MET 32 CO -0.15 0.00 -0.33 -0.09 1.06 0.00 0.00 176.91 177.40 2k0f h ARG 33 N -0.09 -0.30 -0.82 1.72 2.43 -0.86 0.75 114.38 117.21 2k0f h ARG 33 Ca -0.01 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.28 2k0f h ARG 33 Cb 0.08 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.63 2k0f h ARG 33 CO 0.01 -0.20 0.47 1.03 -1.51 0.00 0.00 179.97 179.76 2k0f h SER 34 N -0.31 0.66 0.64 -3.80 0.87 -0.93 -2.20 113.55 108.47 2k0f h SER 34 Ca 0.14 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 2k0f h SER 34 Cb 0.55 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2k0f h SER 34 CO -0.47 0.38 -0.31 -0.07 -0.53 0.00 0.00 176.83 175.83 2k0f h LEU 35 N 0.78 -0.73 0.00 2.23 3.38 -0.92 -3.38 115.31 116.67 2k0f h LEU 35 Ca 0.40 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2k0f h LEU 35 Cb 0.37 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2k0f h LEU 35 CO -0.25 -0.34 0.00 0.61 0.09 0.00 0.00 178.44 178.55 2k0f n GLY 36 N -0.43 -1.77 3.34 0.83 0.00 0.21 -4.78 105.19 102.60 2k0f n GLY 36 Ca -0.11 0.68 -0.13 0.00 0.00 0.00 0.00 46.02 46.47 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 0.98 -0.71 1.61 0.74 -0.92 -4.90 119.66 116.45 2k0f s GLN 37 Ca 0.00 -0.37 -0.07 0.00 0.05 0.00 0.00 55.36 54.97 2k0f s GLN 37 Cb 0.00 0.44 0.18 0.00 1.10 0.00 0.00 33.01 34.74 2k0f s GLN 37 CO 0.00 -0.35 0.57 1.21 -0.55 0.00 0.00 175.29 176.17 2k0f s ASN 38 N -2.11 5.81 0.42 6.67 2.47 -1.26 -3.77 114.94 123.17 2k0f s ASN 38 Ca -0.04 -2.82 -0.12 0.00 0.42 0.00 0.00 52.86 50.29 2k0f s ASN 38 Cb -0.00 -1.99 -0.07 0.00 -1.45 0.00 0.00 41.25 37.74 2k0f s ASN 38 CO -0.04 -0.44 0.81 -2.16 -3.72 0.00 0.00 177.10 171.56 2k0f s PRO 39 N -0.03 3.85 -0.24 0.43 0.05 -1.26 -5.03 135.00 132.77 2k0f s PRO 39 Ca 0.18 0.60 -0.11 0.00 0.05 0.00 0.00 61.00 61.72 2k0f s PRO 39 Cb -0.16 -2.34 -0.05 0.00 0.05 0.00 0.00 34.50 32.00 2k0f s PRO 39 CO -0.05 -0.07 0.17 0.99 0.05 0.00 0.00 177.00 178.09 2k0f s THR 40 N -2.38 5.36 0.08 1.26 2.01 -1.26 -5.00 115.64 115.71 2k0f s THR 40 Ca 0.53 0.20 0.15 0.00 0.31 0.00 0.00 61.69 62.88 2k0f s THR 40 Cb -0.10 -3.51 0.05 0.00 0.01 0.00 0.00 72.50 68.96 2k0f s THR 40 CO 0.30 0.35 1.58 -0.08 -0.69 0.00 0.00 174.62 176.08 2k0f h GLU 41 N 7.46 0.00 -0.89 4.92 4.81 -1.99 -2.56 114.58 126.34 2k0f h GLU 41 Ca -0.38 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.89 2k0f h GLU 41 Cb 1.17 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 2k0f h GLU 41 CO 0.66 0.52 0.58 0.00 -0.73 0.00 0.00 179.01 180.04 2k0f h ALA 42 N 1.48 1.45 0.07 2.92 0.00 -1.98 -0.87 119.26 122.33 2k0f h ALA 42 Ca -0.01 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 2k0f h ALA 42 Cb 1.16 -0.31 0.02 0.00 0.00 0.00 0.00 17.79 18.67 2k0f h ALA 42 CO 0.07 0.46 -1.08 0.93 0.00 0.00 0.00 179.25 179.63 2k0f h GLU 43 N 1.10 0.60 -0.13 0.00 4.39 -1.95 -1.23 114.58 117.37 2k0f h GLU 43 Ca 0.36 -0.74 -0.13 0.00 0.34 0.00 0.00 59.36 59.18 2k0f h GLU 43 Cb 0.04 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2k0f h GLU 43 CO -0.11 1.32 -0.49 -0.07 -1.16 0.00 0.00 179.01 178.50 2k0f h LEU 44 N 0.22 0.37 -0.27 1.33 3.38 -0.93 0.53 115.31 119.93 2k0f h LEU 44 Ca -0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2k0f h LEU 44 Cb 1.76 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 2k0f h LEU 44 CO 0.21 0.80 0.10 -0.61 0.09 0.00 0.00 178.44 179.03 2k0f h GLN 45 N 0.27 0.42 -0.41 1.13 4.15 -1.29 0.90 115.11 120.27 2k0f h GLN 45 Ca 0.01 -0.08 0.05 0.00 0.77 0.00 0.00 58.65 59.40 2k0f h GLN 45 Cb 0.97 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.55 2k0f h GLN 45 CO 0.08 0.46 0.16 0.22 -1.93 0.00 0.00 178.83 177.82 2k0f h ASP 46 N 0.29 0.18 -0.06 -0.69 3.58 -0.44 0.27 116.42 119.54 2k0f h ASP 46 Ca 0.09 0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.62 2k0f h ASP 46 Cb 0.21 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.22 2k0f h ASP 46 CO -0.01 0.14 -0.29 -0.03 -2.88 0.00 0.00 179.24 176.17 2k0f h MET 47 N 0.33 -0.39 -0.38 0.28 4.05 0.13 -2.80 114.93 116.16 2k0f h MET 47 Ca 0.19 0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.70 2k0f h MET 47 Cb 0.16 0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 30.99 2k0f h MET 47 CO -0.18 -0.26 0.04 0.82 0.23 0.00 0.00 176.91 177.56 2k0f h ILE 48 N -0.41 0.76 -0.19 1.77 1.08 -0.59 -3.28 117.51 116.66 2k0f h ILE 48 Ca 0.08 -0.05 0.05 0.00 -0.39 0.00 0.00 64.86 64.55 2k0f h ILE 48 Cb 0.52 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 2k0f h ILE 48 CO -0.29 0.03 0.15 0.78 -0.69 0.00 0.00 178.15 178.12 2k0f h ASN 49 N 0.15 0.00 -0.03 1.72 2.35 -0.20 -0.67 115.58 118.90 2k0f h ASN 49 Ca 0.18 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.76 2k0f h ASN 49 Cb 0.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 2k0f h ASN 49 CO -0.27 0.00 -0.56 -0.08 -1.65 0.00 0.00 177.43 174.87 2k0f h GLU 50 N 0.00 0.62 0.00 0.81 4.81 -1.58 -3.35 114.58 115.89 2k0f h GLU 50 Ca 0.09 -0.40 -0.12 0.00 -0.13 0.00 0.00 59.36 58.80 2k0f h GLU 50 Cb 0.38 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 2k0f h GLU 50 CO -0.00 1.01 -1.69 1.33 -0.73 0.00 0.00 179.01 178.93 2k0f n VAL 51 N -3.96 0.45 -2.84 0.32 0.24 -0.86 -4.88 118.33 106.80 2k0f n VAL 51 Ca -0.04 -0.40 -0.43 0.00 -2.04 0.00 0.00 64.34 61.43 2k0f n VAL 51 Cb 0.62 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.66 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 -3.99 6.60 0.16 -1.34 2.15 -0.32 -4.89 116.67 115.04 2k0f s ASP 52 Ca -0.05 -1.91 -0.14 0.00 0.43 0.00 0.00 52.55 50.88 2k0f s ASP 52 Cb 0.05 -2.44 0.04 0.00 -0.30 0.00 0.00 42.92 40.27 2k0f s ASP 52 CO 0.49 -1.17 1.75 0.00 -0.17 0.00 0.00 175.17 176.07 2k0f h ALA 53 N 9.05 0.63 -0.69 3.66 0.00 -1.89 -2.18 119.26 127.85 2k0f h ALA 53 Ca 0.17 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2k0f h ALA 53 Cb 1.02 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2k0f h ALA 53 CO 1.19 0.18 0.46 0.38 0.00 0.00 0.00 179.25 181.45 2k0f h ASP 54 N 0.65 0.58 0.00 0.00 2.03 -2.00 -3.48 116.42 114.21 2k0f h ASP 54 Ca 0.17 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 2k0f h ASP 54 Cb 0.09 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 2k0f h ASP 54 CO -0.02 0.37 0.00 0.61 -1.03 0.00 0.00 179.24 179.16 2k0f n GLY 55 N -1.47 0.46 0.18 7.15 0.00 -0.82 -4.93 105.19 105.77 2k0f n GLY 55 Ca 0.11 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 1.61 -1.07 -1.93 -3.48 115.58 110.71 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 56 CO 0.00 0.42 0.00 0.61 0.07 0.00 0.00 177.43 178.53 2k0f n GLY 57 N 0.04 0.98 3.16 9.14 0.00 -1.26 -5.11 105.19 112.15 2k0f n GLY 57 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 1.27 -0.81 2.61 -4.23 -1.26 -4.59 115.64 106.63 2k0f s THR 58 Ca 0.00 -0.91 -0.26 0.00 -1.18 0.00 0.00 61.69 59.35 2k0f s THR 58 Cb 0.00 -1.10 0.02 0.00 1.34 0.00 0.00 72.50 72.75 2k0f s THR 58 CO 0.00 0.18 1.52 -0.63 -0.54 0.00 0.00 174.62 175.15 2k0f s ILE 59 N -0.65 3.67 0.80 2.99 1.01 -0.80 -4.89 121.20 123.32 2k0f s ILE 59 Ca 0.05 -0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.53 2k0f s ILE 59 Cb -0.07 -4.65 0.19 0.00 0.01 0.00 0.00 42.46 37.94 2k0f s ILE 59 CO 0.01 -1.58 0.84 0.47 0.00 0.00 0.00 174.94 174.67 2k0f n ASP 60 N 10.47 -1.02 0.18 3.58 8.00 -1.26 -1.19 116.55 135.30 2k0f n ASP 60 Ca 0.19 -1.12 -0.14 0.00 0.71 0.00 0.00 54.79 54.43 2k0f n ASP 60 Cb 0.50 -0.71 -0.08 0.00 -0.02 0.00 0.00 41.12 40.81 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2k0f h PHE 61 N -2.04 -0.42 0.00 1.24 3.57 -1.95 -2.82 116.94 114.52 2k0f h PHE 61 Ca -0.30 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.19 2k0f h PHE 61 Cb 0.87 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.75 2k0f h PHE 61 CO 0.00 -0.10 0.00 -0.35 -2.23 0.00 0.00 178.31 175.63 2k0f n PRO 62 N -5.17 0.24 -0.05 6.41 -0.04 -1.26 -2.83 135.00 132.30 2k0f n PRO 62 Ca -0.10 0.22 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 2k0f n PRO 62 Cb 0.27 -1.79 -0.12 0.00 -0.04 0.00 0.00 33.50 31.82 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 -0.00 -0.98 0.54 5.08 -1.94 -0.50 114.58 116.78 2k0f h GLU 63 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2k0f h GLU 63 Cb 0.68 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 2k0f h GLU 63 CO 0.00 0.83 0.65 0.35 -1.00 0.00 0.00 179.01 179.83 2k0f h PHE 64 N -0.85 1.22 -0.38 4.33 3.57 -1.54 0.20 116.94 123.49 2k0f h PHE 64 Ca -0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2k0f h PHE 64 Cb 0.83 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2k0f h PHE 64 CO 0.22 0.75 0.22 1.25 -2.23 0.00 0.00 178.31 178.52 2k0f h LEU 65 N 1.30 0.46 -0.81 0.59 5.85 -1.58 -1.78 115.31 119.33 2k0f h LEU 65 Ca 0.37 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.96 2k0f h LEU 65 Cb -0.11 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2k0f h LEU 65 CO -0.09 0.38 0.12 0.74 -0.34 0.00 0.00 178.44 179.25 2k0f h THR 66 N 0.49 1.25 -0.42 1.05 2.02 -0.19 -3.29 112.91 113.82 2k0f h THR 66 Ca 0.13 -0.97 -0.13 0.00 0.77 0.00 0.00 66.41 66.22 2k0f h THR 66 Cb 0.01 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2k0f h THR 66 CO -0.02 0.36 -0.23 -0.03 0.37 0.00 0.00 175.52 175.97 2k0f h MET 67 N 0.96 0.90 0.00 6.66 1.85 -0.52 -2.66 114.93 122.13 2k0f h MET 67 Ca 0.20 -0.40 -0.04 0.00 -0.61 0.00 0.00 59.70 58.84 2k0f h MET 67 Cb 0.39 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.39 2k0f h MET 67 CO 0.01 1.06 -0.19 0.52 -0.40 0.00 0.00 176.91 177.91 2k0f h MET 68 N 0.73 0.00 -0.03 0.39 2.07 -1.43 -3.27 114.93 113.40 2k0f h MET 68 Ca 0.09 0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 57.68 2k0f h MET 68 Cb 0.80 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.53 2k0f h MET 68 CO 0.07 0.19 -0.13 0.00 1.07 0.00 0.00 176.91 178.11 2k0f h ALA 69 N 1.81 0.05 -2.65 6.32 0.00 -1.59 -3.46 119.26 119.74 2k0f h ALA 69 Ca -0.00 -0.38 -0.51 0.00 0.00 0.00 0.00 54.91 54.02 2k0f h ALA 69 Cb 0.92 -0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.78 2k0f h ALA 69 CO 0.02 -0.02 0.45 -0.98 0.00 0.00 0.00 179.25 178.72 2k0f s ARG 70 N -3.58 3.46 0.41 0.00 1.70 -1.01 -4.96 118.95 114.98 2k0f s ARG 70 Ca -0.16 1.69 -0.19 0.00 -0.47 0.00 0.00 55.73 56.60 2k0f s ARG 70 Cb 0.01 -2.14 -0.10 0.00 -0.57 0.00 0.00 34.95 32.16 2k0f s ARG 70 CO 0.72 -0.78 0.90 0.15 -1.08 0.00 0.00 175.30 175.21 2k0f s LYS 71 N -3.09 4.13 0.45 3.89 1.02 -1.26 -5.03 119.74 119.85 2k0f s LYS 71 Ca 0.70 0.97 0.07 0.00 0.02 0.00 0.00 55.97 57.73 2k0f s LYS 71 Cb -0.26 -2.24 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 2k0f s LYS 71 CO 0.30 -0.02 0.28 -1.64 -0.92 0.00 0.00 175.35 173.36 2k0f s MET 72 N -3.27 2.32 0.66 1.68 -1.94 -1.26 -5.15 119.30 112.35 2k0f s MET 72 Ca 0.59 -1.81 -0.11 0.00 -1.71 0.00 0.00 55.69 52.65 2k0f s MET 72 Cb -0.09 -2.11 -0.02 0.00 2.01 0.00 0.00 34.83 34.62 2k0f s MET 72 CO 0.17 -0.26 1.05 0.15 -0.01 0.00 0.00 175.02 176.11 2k0f s LYS 73 N -4.06 3.26 0.20 2.03 1.02 -1.26 -4.92 119.74 116.01 2k0f s LYS 73 Ca 0.40 0.86 -0.04 0.00 0.02 0.00 0.00 55.97 57.22 2k0f s LYS 73 Cb 0.00 -2.03 0.15 0.00 -0.52 0.00 0.00 37.83 35.43 2k0f s LYS 73 CO 0.23 -0.84 1.56 -0.44 -0.92 0.00 0.00 175.35 174.94 2k0f h ASP 74 N -0.50 0.71 0.08 2.83 3.32 -2.01 -1.65 116.42 119.20 2k0f h ASP 74 Ca -0.44 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.30 2k0f h ASP 74 Cb 1.20 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 2k0f h ASP 74 CO 0.59 1.02 -0.29 0.71 -1.72 0.00 0.00 179.24 179.56 2k0f h THR 75 N 0.55 0.00 -0.48 0.35 1.35 -2.00 -3.14 112.91 109.54 2k0f h THR 75 Ca 0.05 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.96 2k0f h THR 75 Cb 0.92 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.29 2k0f h THR 75 CO 0.08 0.00 0.21 0.44 -0.25 0.00 0.00 175.52 176.00 2k0f h ASP 76 N -0.42 0.26 -0.14 5.36 3.32 -1.92 -2.78 116.42 120.11 2k0f h ASP 76 Ca -0.00 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.10 2k0f h ASP 76 Cb 0.42 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2k0f h ASP 76 CO -0.15 0.18 0.06 0.77 -1.72 0.00 0.00 179.24 178.38 2k0f h SER 77 N 0.41 0.09 -0.62 6.45 4.64 -1.42 -1.87 113.55 121.23 2k0f h SER 77 Ca 0.22 0.01 0.11 0.00 -0.47 0.00 0.00 61.79 61.65 2k0f h SER 77 Cb 0.18 -0.01 -0.12 0.00 -0.31 0.00 0.00 62.40 62.15 2k0f h SER 77 CO -0.19 0.07 -0.35 -0.08 -0.87 0.00 0.00 176.83 175.41 2k0f h GLU 78 N 0.14 -0.15 -0.78 4.77 4.81 -1.44 -0.32 114.58 121.60 2k0f h GLU 78 Ca 0.06 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2k0f h GLU 78 Cb 0.02 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 2k0f h GLU 78 CO -0.04 -0.10 0.37 0.93 -0.73 0.00 0.00 179.01 179.43 2k0f h GLU 79 N -0.16 1.13 -0.30 1.92 5.08 -1.21 -1.81 114.58 119.23 2k0f h GLU 79 Ca 0.24 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 79 Cb 0.56 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2k0f h GLU 79 CO -0.70 0.88 -0.14 1.49 -1.00 0.00 0.00 179.01 179.54 2k0f h GLU 80 N 1.10 0.62 -0.18 2.33 4.81 -0.97 -2.54 114.58 119.76 2k0f h GLU 80 Ca 0.27 -0.27 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 2k0f h GLU 80 Cb 0.13 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2k0f h GLU 80 CO -0.03 0.85 -0.46 0.82 -0.73 0.00 0.00 179.01 179.45 2k0f h ILE 81 N 0.37 1.32 -0.06 2.32 2.04 -0.99 -1.54 117.51 120.97 2k0f h ILE 81 Ca 0.07 -1.66 0.02 0.00 1.00 0.00 0.00 64.86 64.28 2k0f h ILE 81 Cb 0.66 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 2k0f h ILE 81 CO 0.04 0.51 -0.06 0.03 0.00 0.00 0.00 178.15 178.68 2k0f h ARG 82 N 0.36 -0.07 -0.43 2.37 3.08 -1.34 0.48 114.38 118.82 2k0f h ARG 82 Ca 0.02 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 2k0f h ARG 82 Cb 0.95 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 2k0f h ARG 82 CO 0.08 -0.05 -0.07 0.93 -1.07 0.00 0.00 179.97 179.80 2k0f h GLU 83 N -0.07 0.80 -0.12 0.04 4.39 -1.42 -2.19 114.58 116.00 2k0f h GLU 83 Ca 0.04 -0.29 -0.07 0.00 0.34 0.00 0.00 59.36 59.38 2k0f h GLU 83 Cb 0.13 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2k0f h GLU 83 CO -0.10 0.91 -0.26 0.00 -1.16 0.00 0.00 179.01 178.40 2k0f h ALA 84 N 0.87 1.35 -0.01 3.43 0.00 -1.13 -1.60 119.26 122.17 2k0f h ALA 84 Ca 0.11 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2k0f h ALA 84 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k0f h ALA 84 CO 0.04 0.45 -0.25 0.35 0.00 0.00 0.00 179.25 179.84 2k0f h PHE 85 N 0.19 0.01 0.00 0.00 3.57 0.06 -3.15 116.94 117.62 2k0f h PHE 85 Ca 0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2k0f h PHE 85 Cb 0.57 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2k0f h PHE 85 CO 0.01 0.26 0.00 -0.09 -2.23 0.00 0.00 178.31 176.25 2k0f h ARG 86 N 0.01 0.00 -0.91 1.11 2.43 -0.63 -1.39 114.38 115.00 2k0f h ARG 86 Ca -0.00 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.34 2k0f h ARG 86 Cb 0.44 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.89 2k0f h ARG 86 CO 0.03 0.00 0.50 0.28 -1.51 0.00 0.00 179.97 179.27 2k0f h VAL 87 N 0.00 0.70 0.00 0.20 2.07 -1.48 -3.25 116.25 114.49 2k0f h VAL 87 Ca 0.00 -0.23 -0.23 0.00 0.82 0.00 0.00 66.70 67.06 2k0f h VAL 87 Cb 0.59 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2k0f h VAL 87 CO 0.00 0.12 -1.46 0.49 0.02 0.00 0.00 177.57 176.74 2k0f n PHE 88 N -4.84 0.62 -3.01 1.57 3.72 -1.00 -4.70 117.46 109.82 2k0f n PHE 88 Ca 0.20 0.27 -0.44 0.00 -0.05 0.00 0.00 57.45 57.42 2k0f n PHE 88 Cb 0.50 -0.96 -0.01 0.00 -0.94 0.00 0.00 39.48 38.07 2k0f n PHE 88 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k0f s ASP 89 N -6.74 7.00 0.23 4.37 2.15 -0.56 -4.79 116.67 118.33 2k0f s ASP 89 Ca -0.29 -2.86 0.01 0.00 0.43 0.00 0.00 52.55 49.84 2k0f s ASP 89 Cb 0.07 -2.37 0.24 0.00 -0.30 0.00 0.00 42.92 40.56 2k0f s ASP 89 CO 0.48 -0.75 1.57 0.11 -0.17 0.00 0.00 175.17 176.42 2k0f h LYS 90 N 7.47 0.40 0.03 4.34 1.57 -1.84 -3.28 116.57 125.26 2k0f h LYS 90 Ca 0.26 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2k0f h LYS 90 Cb 0.91 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2k0f h LYS 90 CO 1.16 0.82 -0.01 0.38 -0.57 0.00 0.00 179.45 181.23 2k0f h ASP 91 N 0.31 -0.03 -0.06 0.86 2.03 -1.91 -3.49 116.42 114.13 2k0f h ASP 91 Ca 0.01 -0.50 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 2k0f h ASP 91 Cb 1.01 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.52 2k0f h ASP 91 CO 0.09 0.49 0.00 0.61 -1.03 0.00 0.00 179.24 179.40 2k0f n GLY 92 N 0.33 1.45 0.15 7.15 0.00 -1.24 -5.02 105.19 108.02 2k0f n GLY 92 Ca -0.09 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.76 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 -1.07 -1.94 -3.47 115.58 110.71 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 93 Cb 0.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.47 2k0f h ASN 93 CO 0.00 0.55 0.00 0.61 0.07 0.00 0.00 177.43 178.66 2k0f n GLY 94 N 0.37 1.63 3.22 9.14 0.00 -1.26 -5.10 105.19 113.19 2k0f n GLY 94 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 -0.51 -0.26 1.61 1.51 -1.26 -2.84 117.35 113.61 2k0f s TYR 95 Ca 0.00 1.12 -0.12 0.00 -1.01 0.00 0.00 57.07 57.06 2k0f s TYR 95 Cb 0.00 0.19 -0.05 0.00 -0.11 0.00 0.00 41.96 42.00 2k0f s TYR 95 CO 0.00 -0.29 0.23 0.42 -1.11 0.00 0.00 175.55 174.79 2k0f s ILE 96 N 1.16 5.30 0.39 2.71 1.01 0.74 -4.76 121.20 127.75 2k0f s ILE 96 Ca -0.08 0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.88 2k0f s ILE 96 Cb -0.08 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 2k0f s ILE 96 CO -0.10 0.27 0.59 -0.94 0.00 0.00 0.00 174.94 174.77 2k0f s SER 97 N 1.40 5.99 0.41 3.58 1.04 -1.26 -1.49 113.70 123.37 2k0f s SER 97 Ca 0.10 0.22 0.14 0.00 0.48 0.00 0.00 55.95 56.89 2k0f s SER 97 Cb -0.15 -1.61 1.00 0.00 0.10 0.00 0.00 66.02 65.36 2k0f s SER 97 CO 0.08 -0.52 1.91 0.00 0.98 0.00 0.00 173.24 175.69 2k0f h ALA 98 N 0.61 2.05 0.22 5.32 0.00 -1.97 -0.54 119.26 124.96 2k0f h ALA 98 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2k0f h ALA 98 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k0f h ALA 98 CO 0.58 -0.26 -0.11 0.00 0.00 0.00 0.00 179.25 179.46 2k0f h ALA 99 N 1.63 -0.30 -0.88 0.00 0.00 -1.97 0.37 119.26 118.12 2k0f h ALA 99 Ca 0.39 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.21 2k0f h ALA 99 Cb 0.81 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 2k0f h ALA 99 CO -0.14 -0.43 0.57 0.93 0.00 0.00 0.00 179.25 180.18 2k0f h GLU 100 N -0.78 0.77 0.60 0.00 5.08 -1.84 0.56 114.58 118.96 2k0f h GLU 100 Ca -0.03 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2k0f h GLU 100 Cb 0.51 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2k0f h GLU 100 CO 0.05 0.51 -0.37 1.25 -1.00 0.00 0.00 179.01 179.45 2k0f h LEU 101 N 0.79 -0.92 -0.42 1.33 5.85 -0.91 -3.15 115.31 117.88 2k0f h LEU 101 Ca 0.42 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.25 2k0f h LEU 101 Cb 0.53 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 2k0f h LEU 101 CO -0.19 -0.57 0.13 0.03 -0.34 0.00 0.00 178.44 177.50 2k0f h ARG 102 N -0.91 0.28 -0.42 1.25 3.08 0.15 -1.52 114.38 116.28 2k0f h ARG 102 Ca -0.07 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.01 2k0f h ARG 102 Cb 0.74 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.64 2k0f h ARG 102 CO 0.07 0.18 -0.56 1.25 -1.07 0.00 0.00 179.97 179.85 2k0f h HIS 103 N 0.28 -1.70 -0.79 3.04 2.76 -0.97 0.53 115.15 118.31 2k0f h HIS 103 Ca 0.20 0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 2k0f h HIS 103 Cb 0.20 0.80 -0.04 0.00 1.55 0.00 0.00 27.41 29.92 2k0f h HIS 103 CO -0.17 -0.49 0.46 0.28 -1.30 0.00 0.00 177.93 176.72 2k0f h VAL 104 N -0.39 1.23 -0.80 5.26 2.07 -1.45 -2.59 116.25 119.58 2k0f h VAL 104 Ca 0.08 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.10 2k0f h VAL 104 Cb 0.59 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2k0f h VAL 104 CO -0.61 0.24 0.51 0.24 0.02 0.00 0.00 177.57 177.98 2k0f h MET 105 N 1.09 0.99 -0.27 1.57 2.07 -0.78 0.50 114.93 120.10 2k0f h MET 105 Ca 0.28 -0.06 -0.15 0.00 -2.07 0.00 0.00 59.70 57.70 2k0f h MET 105 Cb -0.02 -0.22 -0.01 0.00 -1.87 0.00 0.00 31.60 29.48 2k0f h MET 105 CO -0.05 0.65 -0.45 0.00 1.07 0.00 0.00 176.91 178.13 2k0f h THR 106 N 1.02 1.29 0.02 2.22 1.03 -0.84 0.15 112.91 117.81 2k0f h THR 106 Ca 0.31 -1.65 -0.00 0.00 -0.01 0.00 0.00 66.41 65.06 2k0f h THR 106 Cb -0.03 1.57 0.00 0.00 -1.07 0.00 0.00 68.15 68.62 2k0f h THR 106 CO -0.10 0.53 -0.01 0.78 -0.01 0.00 0.00 175.52 176.71 2k0f h ASN 107 N 0.56 -0.02 -0.91 0.00 2.35 -0.98 -3.35 115.58 113.23 2k0f h ASN 107 Ca 0.03 -0.66 0.22 0.00 -0.55 0.00 0.00 56.30 55.35 2k0f h ASN 107 Cb 1.00 0.01 -0.17 0.00 0.05 0.00 0.00 38.32 39.22 2k0f h ASN 107 CO 0.09 0.67 -0.02 0.25 -1.65 0.00 0.00 177.43 176.77 2k0f h LEU 108 N -0.74 -0.50 0.00 1.61 5.85 -0.15 -3.34 115.31 118.04 2k0f h LEU 108 Ca -0.00 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2k0f h LEU 108 Cb 0.68 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2k0f h LEU 108 CO 0.00 -0.29 0.00 0.61 -0.34 0.00 0.00 178.44 178.43 2k0f n GLY 109 N -1.49 0.99 3.89 3.75 0.00 -1.19 -4.75 105.19 106.40 2k0f n GLY 109 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 3.68 -0.28 1.61 0.41 0.52 -5.03 118.70 119.62 2k0f s GLU 110 Ca 0.00 0.22 -0.20 0.00 -0.41 0.00 0.00 54.97 54.57 2k0f s GLU 110 Cb 0.00 -2.50 -0.01 0.00 -1.78 0.00 0.00 34.13 29.83 2k0f s GLU 110 CO 0.00 0.05 0.64 0.21 -0.49 0.00 0.00 175.26 175.67 2k0f s LYS 111 N -3.85 4.02 -0.28 1.61 2.20 -1.26 -3.97 119.74 118.20 2k0f s LYS 111 Ca 0.47 0.45 -0.28 0.00 -0.36 0.00 0.00 55.97 56.26 2k0f s LYS 111 Cb -0.10 -3.69 0.01 0.00 -1.51 0.00 0.00 37.83 32.54 2k0f s LYS 111 CO 0.32 -0.49 0.99 -0.51 -0.36 0.00 0.00 175.35 175.30 2k0f s LEU 112 N 2.57 4.03 0.17 5.43 1.43 -1.26 -5.01 118.68 126.04 2k0f s LEU 112 Ca 0.26 1.08 0.11 0.00 -1.03 0.00 0.00 54.13 54.55 2k0f s LEU 112 Cb -0.15 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 2k0f s LEU 112 CO 0.10 -0.73 -0.24 0.42 0.23 0.00 0.00 176.35 176.13 2k0f s THR 113 N 3.30 2.39 0.07 5.49 -4.23 -1.26 -5.06 115.64 116.34 2k0f s THR 113 Ca 0.42 -1.89 0.30 0.00 -1.18 0.00 0.00 61.69 59.33 2k0f s THR 113 Cb -0.14 -2.11 0.34 0.00 1.34 0.00 0.00 72.50 71.93 2k0f s THR 113 CO 0.11 -0.03 1.91 0.44 -0.54 0.00 0.00 174.62 176.51 2k0f h ASP 114 N 3.45 0.00 0.35 3.99 3.32 -2.00 -2.76 116.42 122.77 2k0f h ASP 114 Ca -0.48 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.50 2k0f h ASP 114 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2k0f h ASP 114 CO 0.45 0.07 -0.31 -0.08 -1.72 0.00 0.00 179.24 177.65 2k0f h GLU 115 N 0.00 0.00 0.00 3.56 4.81 -2.00 -3.14 114.58 117.81 2k0f h GLU 115 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 115 Cb 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2k0f h GLU 115 CO 0.01 0.31 0.00 -1.91 -0.73 0.00 0.00 179.01 176.68 2k0f n GLU 116 N -4.07 0.00 -0.03 1.92 2.13 -1.05 -4.45 120.64 115.09 2k0f n GLU 116 Ca -0.02 0.44 -0.13 0.00 0.66 0.00 0.00 57.16 58.12 2k0f n GLU 116 Cb 0.36 -0.98 -0.08 0.00 0.27 0.00 0.00 31.44 31.01 2k0f n GLU 116 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2k0f h VAL 117 N 0.00 1.32 -0.86 6.31 2.07 -1.59 -0.74 116.25 122.77 2k0f h VAL 117 Ca 0.00 -1.02 0.09 0.00 0.82 0.00 0.00 66.70 66.59 2k0f h VAL 117 Cb 0.00 1.85 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 2k0f h VAL 117 CO 0.00 0.28 0.51 0.44 0.02 0.00 0.00 177.57 178.82 2k0f h ASP 118 N -0.21 0.75 -0.73 0.57 3.32 -1.84 -0.48 116.42 117.79 2k0f h ASP 118 Ca 0.02 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 2k0f h ASP 118 Cb 0.47 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 2k0f h ASP 118 CO 0.01 0.44 0.23 -0.33 -1.72 0.00 0.00 179.24 177.87 2k0f h GLU 119 N 0.86 1.14 -0.52 3.56 4.39 -1.67 -1.94 114.58 120.40 2k0f h GLU 119 Ca 0.41 -0.24 0.04 0.00 0.34 0.00 0.00 59.36 59.90 2k0f h GLU 119 Cb 0.33 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 2k0f h GLU 119 CO -0.23 0.97 0.27 1.98 -1.16 0.00 0.00 179.01 180.84 2k0f h MET 120 N 1.09 0.51 0.08 2.33 4.05 -0.60 -1.66 114.93 120.74 2k0f h MET 120 Ca 0.24 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.62 2k0f h MET 120 Cb 0.30 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 2k0f h MET 120 CO -0.01 0.34 -0.04 0.82 0.23 0.00 0.00 176.91 178.25 2k0f h ILE 121 N 0.53 0.99 -0.11 1.77 1.08 -0.88 -3.28 117.51 117.62 2k0f h ILE 121 Ca 0.23 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 64.44 2k0f h ILE 121 Cb 0.12 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 2k0f h ILE 121 CO -0.15 0.06 0.06 -0.09 -0.69 0.00 0.00 178.15 177.34 2k0f h ARG 122 N -0.23 0.14 0.00 2.37 2.43 -0.98 -0.43 114.38 117.68 2k0f h ARG 122 Ca -0.01 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 2k0f h ARG 122 Cb 0.19 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2k0f h ARG 122 CO 0.02 0.11 -0.46 1.49 -1.51 0.00 0.00 179.97 179.62 2k0f h GLU 123 N 0.14 0.00 0.00 0.20 4.81 -1.37 -3.17 114.58 115.19 2k0f h GLU 123 Ca 0.04 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.03 2k0f h GLU 123 Cb 0.01 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 2k0f h GLU 123 CO -0.01 0.46 -1.40 0.00 -0.73 0.00 0.00 179.01 177.33 2k0f h ALA 124 N 1.54 0.63 -1.80 2.92 0.00 -1.19 -3.43 119.26 117.94 2k0f h ALA 124 Ca -0.00 -1.18 -0.56 0.00 0.00 0.00 0.00 54.91 53.17 2k0f h ALA 124 Cb 0.84 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2k0f h ALA 124 CO 0.06 1.36 1.27 0.34 0.00 0.00 0.00 179.25 182.28 2k0f s ASP 125 N -6.26 5.82 -0.05 0.00 2.15 -0.70 -4.87 116.67 112.76 2k0f s ASP 125 Ca -0.02 1.10 -0.16 0.00 0.43 0.00 0.00 52.55 53.90 2k0f s ASP 125 Cb 0.09 -2.53 -0.31 0.00 -0.30 0.00 0.00 42.92 39.87 2k0f s ASP 125 CO 0.82 -1.80 0.73 0.40 -0.17 0.00 0.00 175.17 175.15 2k0f h ILE 126 N 6.80 1.14 0.00 4.11 1.08 -1.86 -3.43 117.51 125.35 2k0f h ILE 126 Ca -0.32 -2.51 0.00 0.00 -0.39 0.00 0.00 64.86 61.64 2k0f h ILE 126 Cb 1.16 2.88 0.00 0.00 -3.07 0.00 0.00 36.82 37.80 2k0f h ILE 126 CO 1.07 0.77 0.00 -0.90 -0.69 0.00 0.00 178.15 178.40 2k0f n ASP 127 N -3.84 0.00 0.00 1.72 5.68 -1.26 -5.02 116.55 113.83 2k0f n ASP 127 Ca -0.21 0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 2k0f n ASP 127 Cb 0.97 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 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 1.51 -0.00 0.16 6.12 0.00 -1.26 -5.08 105.19 106.63 2k0f n GLY 128 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.71 0.00 1.61 2.03 -1.95 -3.47 116.42 115.35 2k0f h ASP 129 Ca 0.00 -0.81 0.00 0.00 -0.73 0.00 0.00 57.03 55.49 2k0f h ASP 129 Cb 0.00 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.28 2k0f h ASP 129 CO 0.00 1.44 0.00 0.61 -1.03 0.00 0.00 179.24 180.26 2k0f n GLY 130 N 1.27 1.55 3.56 7.15 0.00 -1.26 -5.10 105.19 112.37 2k0f n GLY 130 Ca -0.12 0.00 -0.31 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 0.00 2.24 -0.49 1.61 -0.21 -1.26 -4.69 119.66 116.85 2k0f s GLN 131 Ca 0.00 -0.93 -0.18 0.00 0.02 0.00 0.00 55.36 54.27 2k0f s GLN 131 Cb 0.00 -2.34 0.06 0.00 1.00 0.00 0.00 33.01 31.73 2k0f s GLN 131 CO 0.00 0.54 0.54 0.08 -2.12 0.00 0.00 175.29 174.32 2k0f s VAL 132 N -1.11 5.01 0.76 1.09 1.01 -0.56 -4.87 120.40 121.73 2k0f s VAL 132 Ca 0.19 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 2k0f s VAL 132 Cb -0.11 -4.23 0.17 0.00 0.00 0.00 0.00 36.38 32.21 2k0f s VAL 132 CO 0.11 -0.72 1.03 -0.46 0.00 0.00 0.00 175.10 175.06 2k0f n ASN 133 N 5.80 0.25 -0.02 3.32 0.23 -1.26 -0.19 115.26 123.39 2k0f n ASN 133 Ca -0.09 -1.48 -0.09 0.00 -0.53 0.00 0.00 54.58 52.40 2k0f n ASN 133 Cb 0.45 -0.77 -0.02 0.00 -2.08 0.00 0.00 39.78 37.35 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 -1.45 -0.49 -0.25 -2.53 3.20 -1.94 -2.39 116.97 111.12 2k0f h TYR 134 Ca -0.33 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.45 2k0f h TYR 134 Cb 0.96 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 2k0f h TYR 134 CO 0.00 -0.27 -0.33 1.49 -1.64 0.00 0.00 178.16 177.41 2k0f h GLU 135 N -0.22 0.54 0.00 1.82 4.81 -1.94 -1.57 114.58 118.03 2k0f h GLU 135 Ca 0.11 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 2k0f h GLU 135 Cb 0.39 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2k0f h GLU 135 CO -0.30 0.80 -0.32 0.93 -0.73 0.00 0.00 179.01 179.40 2k0f h GLU 136 N 0.46 0.00 0.61 1.92 5.08 -1.90 0.84 114.58 121.60 2k0f h GLU 136 Ca 0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2k0f h GLU 136 Cb 0.80 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.05 2k0f h GLU 136 CO 0.07 0.32 -0.29 0.35 -1.00 0.00 0.00 179.01 178.45 2k0f h PHE 137 N 0.00 -0.76 -0.04 4.33 3.57 -0.76 -3.35 116.94 119.93 2k0f h PHE 137 Ca -0.00 -0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.24 2k0f h PHE 137 Cb 0.90 0.25 0.01 0.00 2.79 0.00 0.00 35.95 39.90 2k0f h PHE 137 CO 0.00 -0.47 -0.93 0.28 -2.23 0.00 0.00 178.31 174.95 2k0f h VAL 138 N -1.13 1.33 0.00 1.41 2.07 -1.38 -3.24 116.25 115.31 2k0f h VAL 138 Ca -0.08 -2.25 -0.01 0.00 0.82 0.00 0.00 66.70 65.17 2k0f h VAL 138 Cb 0.63 2.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2k0f h VAL 138 CO 0.14 0.69 -0.07 -0.61 0.02 0.00 0.00 177.57 177.74 2k0f h GLN 139 N 0.36 0.00 0.00 1.57 4.15 -1.02 -2.63 115.11 117.54 2k0f h GLN 139 Ca -0.09 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 2k0f h GLN 139 Cb 1.57 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.25 2k0f h GLN 139 CO 0.18 0.07 -1.13 0.00 -1.93 0.00 0.00 178.83 176.01 2k0f n MET 140 N -3.36 0.61 0.03 1.69 0.00 -1.22 -3.76 117.12 111.11 2k0f n MET 140 Ca -0.01 0.15 -0.11 0.00 0.00 0.00 0.00 57.70 57.73 2k0f n MET 140 Cb 0.23 -1.82 0.01 0.00 0.00 0.00 0.00 33.22 31.64 2k0f n MET 140 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 2k0f h MET 141 N 0.00 0.51 0.00 3.17 2.86 -1.51 -3.52 114.93 116.44 2k0f h MET 141 Ca -0.05 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2k0f h MET 141 Cb 1.18 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.91 2k0f h MET 141 CO 0.01 1.03 0.00 0.25 1.06 0.00 0.00 176.91 179.26