#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 0.02 -0.78 4.39 -2.06 -1.50 114.58 114.83 2k0f h GLU 2 Ca 0.00 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2k0f h GLU 2 Cb 0.00 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2k0f h GLU 2 CO 0.00 0.12 -0.06 1.49 -1.16 0.00 0.00 179.01 179.40 2k0f h GLU 3 N 0.19 -0.12 -0.26 2.33 4.81 -2.05 -0.97 114.58 118.51 2k0f h GLU 3 Ca 0.36 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.64 2k0f h GLU 3 Cb 1.15 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 2k0f h GLU 3 CO -0.07 -0.08 0.01 1.96 -0.73 0.00 0.00 179.01 180.10 2k0f h GLN 4 N -0.12 0.09 -0.67 1.92 4.20 -1.72 -2.36 115.11 116.45 2k0f h GLN 4 Ca 0.02 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.81 2k0f h GLN 4 Cb 0.14 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 2k0f h GLN 4 CO -0.05 0.06 0.31 0.82 -0.67 0.00 0.00 178.83 179.30 2k0f h ILE 5 N 0.09 0.84 0.00 2.54 1.08 -1.09 0.37 117.51 121.34 2k0f h ILE 5 Ca 0.12 -0.19 -0.04 0.00 -0.39 0.00 0.00 64.86 64.36 2k0f h ILE 5 Cb 0.15 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.14 2k0f h ILE 5 CO -0.20 0.10 -0.20 0.00 -0.69 0.00 0.00 178.15 177.16 2k0f h ALA 6 N 1.41 1.21 0.07 1.87 0.00 -0.88 -1.21 119.26 121.72 2k0f h ALA 6 Ca 0.33 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 2k0f h ALA 6 Cb 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2k0f h ALA 6 CO -0.26 0.25 -1.10 0.93 0.00 0.00 0.00 179.25 179.07 2k0f h GLU 7 N 0.00 0.19 0.07 0.00 5.08 -0.68 -3.11 114.58 116.13 2k0f h GLU 7 Ca -0.00 -0.30 -0.25 0.00 -1.00 0.00 0.00 59.36 57.81 2k0f h GLU 7 Cb 0.53 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2k0f h GLU 7 CO 0.03 1.11 -1.10 0.74 -1.00 0.00 0.00 179.01 178.79 2k0f h PHE 8 N 0.07 0.55 -0.06 4.33 0.04 -0.85 -3.06 116.94 117.96 2k0f h PHE 8 Ca -0.08 -0.35 0.03 0.00 2.80 0.00 0.00 57.97 60.37 2k0f h PHE 8 Cb 1.82 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 39.89 2k0f h PHE 8 CO 0.04 1.22 -0.14 0.87 -0.60 0.00 0.00 178.31 179.69 2k0f h LYS 9 N 0.15 -0.20 0.00 1.51 1.79 -1.22 -0.44 116.57 118.15 2k0f h LYS 9 Ca -0.11 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 2k0f h LYS 9 Cb 1.78 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.47 2k0f h LYS 9 CO 0.18 -0.13 -0.06 1.05 -1.08 0.00 0.00 179.45 179.41 2k0f h GLU 10 N -0.21 0.00 0.01 3.15 4.11 -1.67 -1.32 114.58 118.65 2k0f h GLU 10 Ca 0.07 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.29 2k0f h GLU 10 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2k0f h GLU 10 CO -0.18 0.06 -0.90 0.00 0.07 0.00 0.00 179.01 178.05 2k0f h ALA 11 N 1.94 0.48 -0.78 1.06 0.00 -1.12 -2.87 119.26 117.96 2k0f h ALA 11 Ca -0.00 -0.74 0.01 0.00 0.00 0.00 0.00 54.91 54.19 2k0f h ALA 11 Cb 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2k0f h ALA 11 CO 0.01 0.92 0.51 0.35 0.00 0.00 0.00 179.25 181.04 2k0f h PHE 12 N 0.12 0.97 0.00 0.00 3.57 -1.07 -3.24 116.94 117.29 2k0f h PHE 12 Ca -0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2k0f h PHE 12 Cb 1.54 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 2k0f h PHE 12 CO 0.03 0.60 -0.12 1.03 -2.23 0.00 0.00 178.31 177.63 2k0f h SER 13 N 1.04 0.00 -1.01 0.41 0.87 -1.00 -0.74 113.55 113.12 2k0f h SER 13 Ca 0.29 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.93 2k0f h SER 13 Cb -0.10 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.79 2k0f h SER 13 CO -0.07 0.12 0.65 0.25 -0.53 0.00 0.00 176.83 177.24 2k0f h LEU 14 N 0.00 1.01 0.13 2.23 5.85 -1.58 -3.21 115.31 119.74 2k0f h LEU 14 Ca -0.00 0.02 -0.30 0.00 0.84 0.00 0.00 57.88 58.44 2k0f h LEU 14 Cb 0.53 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2k0f h LEU 14 CO 0.02 0.62 -1.57 -0.26 -0.34 0.00 0.00 178.44 176.90 2k0f h PHE 15 N 1.13 0.49 -3.22 1.25 0.04 -1.32 -3.46 116.94 111.85 2k0f h PHE 15 Ca 0.45 -0.36 -0.59 0.00 2.80 0.00 0.00 57.97 60.28 2k0f h PHE 15 Cb 0.26 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.31 2k0f h PHE 15 CO -0.00 1.61 0.62 0.34 -0.60 0.00 0.00 178.31 180.28 2k0f s ASP 16 N -7.08 6.93 -0.13 2.17 2.15 -0.87 -4.75 116.67 115.09 2k0f s ASP 16 Ca -0.20 1.14 0.07 0.00 0.43 0.00 0.00 52.55 53.99 2k0f s ASP 16 Cb 0.05 -2.48 -0.13 0.00 -0.30 0.00 0.00 42.92 40.06 2k0f s ASP 16 CO 0.78 -0.61 -0.03 0.29 -0.17 0.00 0.00 175.17 175.43 2k0f n LYS 17 N 6.21 1.37 0.00 4.34 4.76 -1.26 -4.71 118.16 128.87 2k0f n LYS 17 Ca 0.08 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 2k0f n LYS 17 Cb 0.47 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2k0f n ASP 18 N -2.65 0.00 0.00 4.39 5.68 -1.26 -5.05 116.55 117.67 2k0f n ASP 18 Ca -0.23 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.06 2k0f n ASP 18 Cb 0.85 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.83 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 2.78 0.00 0.13 6.12 0.00 -1.26 -5.03 105.19 107.93 2k0f n GLY 19 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.00 0.00 1.61 2.03 -1.96 -3.47 116.42 114.63 2k0f h ASP 20 Ca 0.00 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 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 0.03 0.00 0.61 -1.03 0.00 0.00 179.24 178.85 2k0f n GLY 21 N 1.22 0.29 3.11 7.15 0.00 -1.26 -5.07 105.19 110.64 2k0f n GLY 21 Ca 0.03 0.00 -0.19 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 -2.00 0.97 -0.33 2.61 -4.23 -1.26 -4.19 115.64 107.21 2k0f s THR 22 Ca 0.00 -0.87 -0.12 0.00 -1.18 0.00 0.00 61.69 59.52 2k0f s THR 22 Cb 0.00 -0.88 -0.02 0.00 1.34 0.00 0.00 72.50 72.94 2k0f s THR 22 CO 0.00 0.01 0.22 -0.63 -0.54 0.00 0.00 174.62 173.68 2k0f s ILE 23 N -0.76 5.20 0.93 2.99 1.01 -0.01 -4.89 121.20 125.67 2k0f s ILE 23 Ca 0.01 -0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 2k0f s ILE 23 Cb -0.07 -3.64 0.21 0.00 0.01 0.00 0.00 42.46 38.97 2k0f s ILE 23 CO 0.01 0.04 1.27 0.42 0.00 0.00 0.00 174.94 176.68 2k0f s THR 24 N 1.71 2.00 0.11 2.92 -4.23 -1.26 -2.37 115.64 114.53 2k0f s THR 24 Ca 0.06 -0.16 -0.18 0.00 -1.18 0.00 0.00 61.69 60.22 2k0f s THR 24 Cb -0.17 -2.84 -0.05 0.00 1.34 0.00 0.00 72.50 70.78 2k0f s THR 24 CO 0.10 0.00 1.64 0.71 -0.54 0.00 0.00 174.62 176.53 2k0f h THR 25 N -1.47 1.18 -0.59 3.99 1.35 -1.91 -0.35 112.91 115.11 2k0f h THR 25 Ca -0.41 -0.57 -0.10 0.00 -0.55 0.00 0.00 66.41 64.78 2k0f h THR 25 Cb 1.22 1.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 2k0f h THR 25 CO 0.33 0.19 -0.01 0.11 -0.25 0.00 0.00 175.52 175.90 2k0f h LYS 26 N 0.31 1.04 -0.41 4.72 1.79 -1.97 0.21 116.57 122.26 2k0f h LYS 26 Ca 0.09 -0.33 -0.02 0.00 -2.18 0.00 0.00 60.65 58.21 2k0f h LYS 26 Cb 0.20 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 2k0f h LYS 26 CO -0.01 1.02 0.16 0.93 -1.08 0.00 0.00 179.45 180.47 2k0f h GLU 27 N 0.95 0.61 -0.09 3.15 5.08 -1.85 0.29 114.58 122.73 2k0f h GLU 27 Ca 0.17 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 27 Cb 0.55 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2k0f h GLU 27 CO 0.03 0.58 0.05 1.25 -1.00 0.00 0.00 179.01 179.92 2k0f h LEU 28 N 0.51 0.10 -0.70 1.33 5.85 -0.99 -2.93 115.31 118.49 2k0f h LEU 28 Ca 0.14 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2k0f h LEU 28 Cb 0.20 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2k0f h LEU 28 CO -0.01 0.11 0.46 1.23 -0.34 0.00 0.00 178.44 179.89 2k0f h GLY 29 N 0.08 0.99 0.16 3.75 0.00 -0.86 -1.48 103.07 105.72 2k0f h GLY 29 Ca 0.03 -0.36 0.09 0.00 0.00 0.00 0.00 47.33 47.10 2k0f h GLY 29 CO -0.01 0.34 -0.04 -0.84 0.00 0.00 0.00 176.54 175.99 2k0f h THR 30 N 0.92 0.59 0.68 4.70 2.02 -0.88 -1.45 112.91 119.50 2k0f h THR 30 Ca 0.26 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.39 2k0f h THR 30 Cb -0.07 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2k0f h THR 30 CO -0.07 0.01 -0.33 0.58 0.37 0.00 0.00 175.52 176.08 2k0f h VAL 31 N 0.07 0.32 -0.50 3.16 2.07 -1.11 -1.87 116.25 118.39 2k0f h VAL 31 Ca 0.23 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.85 2k0f h VAL 31 Cb 0.35 0.32 -0.10 0.00 -1.52 0.00 0.00 31.29 30.35 2k0f h VAL 31 CO -0.43 0.00 -0.16 -0.03 0.02 0.00 0.00 177.57 176.98 2k0f h MET 32 N -0.92 -0.04 0.00 1.57 4.05 -1.10 -0.54 114.93 117.95 2k0f h MET 32 Ca -0.09 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.30 2k0f h MET 32 Cb 0.71 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.51 2k0f h MET 32 CO 0.15 -0.03 -0.12 0.07 0.23 0.00 0.00 176.91 177.21 2k0f h ARG 33 N -0.04 0.00 -0.01 0.39 0.11 -0.65 0.18 114.38 114.35 2k0f h ARG 33 Ca 0.24 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.16 2k0f h ARG 33 Cb 0.40 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.47 2k0f h ARG 33 CO -0.53 0.12 -0.71 0.77 0.10 0.00 0.00 179.97 179.72 2k0f h SER 34 N 0.00 0.11 0.07 0.08 0.02 -0.28 -3.34 113.55 110.20 2k0f h SER 34 Ca -0.00 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2k0f h SER 34 Cb 0.37 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2k0f h SER 34 CO 0.02 0.78 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.38 2k0f h LEU 35 N 0.06 -0.08 0.00 5.07 3.38 -0.53 -3.41 115.31 119.80 2k0f h LEU 35 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k0f h LEU 35 Cb 1.25 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2k0f h LEU 35 CO 0.10 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.41 2k0f n GLY 36 N 1.46 0.00 2.93 0.83 0.00 0.55 -4.97 105.19 105.98 2k0f n GLY 36 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 0.34 -0.46 1.61 0.74 -0.82 -4.94 119.66 116.13 2k0f s GLN 37 Ca 0.00 -0.13 -0.21 0.00 0.05 0.00 0.00 55.36 55.07 2k0f s GLN 37 Cb 0.00 -0.33 0.03 0.00 1.10 0.00 0.00 33.01 33.81 2k0f s GLN 37 CO 0.00 0.07 0.65 1.21 -0.55 0.00 0.00 175.29 176.68 2k0f s ASN 38 N -0.03 6.31 0.71 6.67 2.47 -1.26 -2.02 114.94 127.78 2k0f s ASN 38 Ca 0.01 -0.44 -0.11 0.00 0.42 0.00 0.00 52.86 52.74 2k0f s ASN 38 Cb -0.02 -2.32 0.02 0.00 -1.45 0.00 0.00 41.25 37.47 2k0f s ASN 38 CO -0.00 -0.82 1.07 -2.16 -3.72 0.00 0.00 177.10 171.46 2k0f s PRO 39 N 2.84 2.82 0.18 0.43 0.04 -1.26 -5.05 135.00 135.00 2k0f s PRO 39 Ca 0.22 0.99 -0.17 0.00 0.04 0.00 0.00 61.00 62.08 2k0f s PRO 39 Cb -0.15 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 2k0f s PRO 39 CO 0.18 -1.20 0.63 0.95 0.04 0.00 0.00 177.00 177.60 2k0f s THR 40 N -3.02 4.72 -0.49 1.26 -4.23 -1.26 -5.04 115.64 107.58 2k0f s THR 40 Ca 0.59 1.05 0.23 0.00 -1.18 0.00 0.00 61.69 62.37 2k0f s THR 40 Cb -0.15 -3.80 -0.14 0.00 1.34 0.00 0.00 72.50 69.76 2k0f s THR 40 CO 0.55 0.24 0.93 -0.62 -0.54 0.00 0.00 174.62 175.18 2k0f n GLU 41 N 0.80 0.37 -0.05 3.99 1.02 -1.26 -2.65 120.64 122.87 2k0f n GLU 41 Ca -0.04 -0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.00 2k0f n GLU 41 Cb 0.51 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 30.31 2k0f n GLU 41 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k0f h ALA 42 N 2.41 0.20 -0.07 0.62 0.00 -2.01 -3.23 119.26 117.18 2k0f h ALA 42 Ca 0.00 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2k0f h ALA 42 Cb 0.80 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2k0f h ALA 42 CO 0.00 -0.42 -0.64 0.93 0.00 0.00 0.00 179.25 179.12 2k0f h GLU 43 N 0.08 0.27 0.00 0.00 3.07 -1.99 -2.76 114.58 113.24 2k0f h GLU 43 Ca 0.11 -0.20 -0.08 0.00 -0.50 0.00 0.00 59.36 58.69 2k0f h GLU 43 Cb 0.13 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2k0f h GLU 43 CO -0.18 0.82 -0.39 1.25 -1.40 0.00 0.00 179.01 179.12 2k0f h LEU 44 N 0.19 0.00 0.04 1.33 5.85 -1.60 -1.31 115.31 119.81 2k0f h LEU 44 Ca -0.01 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.47 2k0f h LEU 44 Cb 1.17 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 2k0f h LEU 44 CO 0.10 0.39 -1.18 -0.61 -0.34 0.00 0.00 178.44 176.80 2k0f h GLN 45 N 0.00 0.08 -0.22 1.25 4.15 -1.53 -2.98 115.11 115.86 2k0f h GLN 45 Ca -0.00 -0.13 -0.20 0.00 0.77 0.00 0.00 58.65 59.08 2k0f h GLN 45 Cb 0.83 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.57 2k0f h GLN 45 CO 0.05 1.00 -0.65 0.22 -1.93 0.00 0.00 178.83 177.52 2k0f h ASP 46 N 0.02 0.92 -0.56 -0.69 3.58 -1.31 -0.95 116.42 117.43 2k0f h ASP 46 Ca -0.09 -0.54 0.11 0.00 0.42 0.00 0.00 57.03 56.93 2k0f h ASP 46 Cb 1.86 -0.27 -0.09 0.00 1.72 0.00 0.00 39.33 42.55 2k0f h ASP 46 CO 0.14 1.34 0.05 0.24 -2.88 0.00 0.00 179.24 178.13 2k0f h MET 47 N 0.59 0.16 -0.51 0.28 2.86 -1.27 -1.13 114.93 115.91 2k0f h MET 47 Ca -0.02 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2k0f h MET 47 Cb 1.26 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 2k0f h MET 47 CO 0.14 0.11 0.11 0.82 1.06 0.00 0.00 176.91 179.14 2k0f h ILE 48 N 0.17 1.25 -0.02 -1.22 2.04 -1.35 -3.05 117.51 115.33 2k0f h ILE 48 Ca 0.29 -0.90 -0.09 0.00 1.00 0.00 0.00 64.86 65.16 2k0f h ILE 48 Cb 0.45 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2k0f h ILE 48 CO -0.44 0.32 -0.43 0.78 0.00 0.00 0.00 178.15 178.39 2k0f h ASN 49 N 0.72 0.04 0.23 1.72 2.35 -0.97 0.04 115.58 119.71 2k0f h ASN 49 Ca 0.16 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 2k0f h ASN 49 Cb 0.37 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2k0f h ASN 49 CO 0.01 0.46 -0.35 -0.08 -1.65 0.00 0.00 177.43 175.82 2k0f h GLU 50 N 0.03 0.18 0.07 0.81 4.81 -1.10 -3.19 114.58 116.20 2k0f h GLU 50 Ca -0.00 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.00 2k0f h GLU 50 Cb 0.77 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2k0f h GLU 50 CO 0.06 0.52 -0.75 0.28 -0.73 0.00 0.00 179.01 178.38 2k0f h VAL 51 N 0.16 1.41 -1.23 0.32 2.07 -1.52 -3.47 116.25 113.99 2k0f h VAL 51 Ca 0.02 -2.39 -0.80 0.00 0.82 0.00 0.00 66.70 64.35 2k0f h VAL 51 Cb 0.70 3.01 0.02 0.00 -1.52 0.00 0.00 31.29 33.51 2k0f h VAL 51 CO 0.05 0.62 0.61 -0.67 0.02 0.00 0.00 177.57 178.20 2k0f n ASP 52 N -4.28 1.37 -0.07 0.57 2.03 -0.02 -4.92 116.55 111.23 2k0f n ASP 52 Ca -0.18 1.14 -0.08 0.00 0.52 0.00 0.00 54.79 56.20 2k0f n ASP 52 Cb 0.71 -1.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.08 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N 3.76 1.11 0.09 -1.67 0.00 -1.26 -4.77 120.51 117.77 2k0f n ALA 53 Ca 0.26 -0.72 -0.03 0.00 0.00 0.00 0.00 53.44 52.95 2k0f n ALA 53 Cb 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N -0.88 -0.19 0.00 0.00 3.04 -1.94 -3.48 116.42 112.97 2k0f h ASP 54 Ca 0.00 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 2k0f h ASP 54 Cb 0.88 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.22 2k0f h ASP 54 CO 0.00 -0.13 0.00 0.61 -2.04 0.00 0.00 179.24 177.68 2k0f n GLY 55 N -1.05 -0.04 0.37 7.15 0.00 -1.26 -5.04 105.19 105.32 2k0f n GLY 55 Ca -0.03 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.15 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 0.65 0.00 1.61 7.08 -1.97 -3.46 115.58 119.50 2k0f h ASN 56 Ca 0.00 0.08 0.00 0.00 -3.08 0.00 0.00 56.30 53.30 2k0f h ASN 56 Cb 0.00 -0.04 0.00 0.00 -2.08 0.00 0.00 38.32 36.20 2k0f h ASN 56 CO 0.00 0.24 0.00 0.61 -2.08 0.00 0.00 177.43 176.20 2k0f n GLY 57 N -1.40 0.94 3.13 9.14 0.00 -1.26 -5.09 105.19 110.64 2k0f n GLY 57 Ca 0.22 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 0.57 -0.34 2.61 -4.23 -1.26 -4.82 115.64 106.17 2k0f s THR 58 Ca 0.00 -1.71 -0.14 0.00 -1.18 0.00 0.00 61.69 58.66 2k0f s THR 58 Cb 0.00 -1.40 -0.02 0.00 1.34 0.00 0.00 72.50 72.42 2k0f s THR 58 CO 0.00 -0.78 0.29 -0.51 -0.54 0.00 0.00 174.62 173.08 2k0f s ILE 59 N -3.16 5.23 0.48 2.99 2.07 -1.00 -4.82 121.20 123.00 2k0f s ILE 59 Ca 0.06 -0.09 -0.07 0.00 -1.41 0.00 0.00 60.65 59.14 2k0f s ILE 59 Cb 0.02 -3.76 -0.04 0.00 0.13 0.00 0.00 42.46 38.81 2k0f s ILE 59 CO -0.04 -0.04 0.80 -1.81 -1.91 0.00 0.00 174.94 171.93 2k0f s ASP 60 N 1.73 6.31 0.23 4.50 1.11 -1.26 -0.83 116.67 128.46 2k0f s ASP 60 Ca 0.09 1.00 -0.07 0.00 0.18 0.00 0.00 52.55 53.74 2k0f s ASP 60 Cb -0.17 -2.28 0.40 0.00 1.07 0.00 0.00 42.92 41.95 2k0f s ASP 60 CO 0.11 -0.56 1.68 0.15 1.18 0.00 0.00 175.17 177.73 2k0f h PHE 61 N 0.38 0.18 0.00 4.23 3.57 -1.97 -1.08 116.94 122.24 2k0f h PHE 61 Ca -0.47 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2k0f h PHE 61 Cb 1.20 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.97 2k0f h PHE 61 CO 0.59 -0.11 0.00 -2.30 -2.23 0.00 0.00 178.31 174.27 2k0f n PRO 62 N -5.19 0.63 -0.09 6.41 -0.02 -1.26 -0.70 135.00 134.77 2k0f n PRO 62 Ca 0.12 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.49 2k0f n PRO 62 Cb 0.42 -1.34 -0.04 0.00 -0.02 0.00 0.00 33.50 32.52 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k0f n GLU 63 N -0.84 0.51 -0.31 -0.52 1.02 -0.78 -3.88 120.64 115.84 2k0f n GLU 63 Ca 0.10 0.37 0.06 0.00 -0.02 0.00 0.00 57.16 57.67 2k0f n GLU 63 Cb 0.05 -1.57 0.14 0.00 -0.02 0.00 0.00 31.44 30.05 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 -1.00 -0.38 -0.70 -0.32 3.57 -1.14 -0.28 116.94 116.69 2k0f h PHE 64 Ca -0.12 0.08 0.10 0.00 3.53 0.00 0.00 57.97 61.55 2k0f h PHE 64 Cb 0.93 0.31 -0.07 0.00 2.79 0.00 0.00 35.95 39.90 2k0f h PHE 64 CO -0.26 -0.38 0.34 -0.07 -2.23 0.00 0.00 178.31 175.72 2k0f h LEU 65 N 0.01 0.43 0.32 0.59 3.38 -1.14 -1.76 115.31 117.14 2k0f h LEU 65 Ca 0.45 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.47 2k0f h LEU 65 Cb 0.73 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2k0f h LEU 65 CO -0.89 0.24 -0.16 0.74 0.09 0.00 0.00 178.44 178.46 2k0f h THR 66 N 0.57 0.57 -0.98 0.22 2.02 -1.25 -2.57 112.91 111.51 2k0f h THR 66 Ca 0.35 -0.71 0.09 0.00 0.77 0.00 0.00 66.41 66.91 2k0f h THR 66 Cb 0.39 0.88 -0.12 0.00 -1.74 0.00 0.00 68.15 67.55 2k0f h THR 66 CO -0.28 0.12 -0.57 -0.03 0.37 0.00 0.00 175.52 175.12 2k0f h MET 67 N -0.89 -0.01 -0.25 6.66 1.85 -1.15 -3.00 114.93 118.13 2k0f h MET 67 Ca -0.04 0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 58.96 2k0f h MET 67 Cb 0.52 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.54 2k0f h MET 67 CO 0.07 -0.01 -0.22 0.52 -0.40 0.00 0.00 176.91 176.88 2k0f h MET 68 N -0.02 0.45 -0.66 0.39 2.07 -1.11 -3.02 114.93 113.04 2k0f h MET 68 Ca 0.17 -0.16 0.00 0.00 -2.07 0.00 0.00 59.70 57.65 2k0f h MET 68 Cb 0.43 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.13 2k0f h MET 68 CO -0.93 0.65 0.00 0.00 1.07 0.00 0.00 176.91 177.70 2k0f n ALA 69 N -2.48 3.36 -2.69 6.32 0.00 -0.98 -4.83 120.51 119.21 2k0f n ALA 69 Ca -0.00 -1.41 -0.37 0.00 0.00 0.00 0.00 53.44 51.66 2k0f n ALA 69 Cb 0.38 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.16 4.17 -0.08 0.00 3.52 -1.14 -5.05 118.95 118.21 2k0f s ARG 70 Ca 0.42 -0.01 -0.15 0.00 -0.13 0.00 0.00 55.73 55.87 2k0f s ARG 70 Cb 0.30 -3.50 -0.05 0.00 -1.56 0.00 0.00 34.95 30.15 2k0f s ARG 70 CO 0.15 0.10 0.38 0.21 -0.81 0.00 0.00 175.30 175.32 2k0f s LYS 71 N 0.92 4.06 0.23 5.12 2.47 -1.26 -5.04 119.74 126.24 2k0f s LYS 71 Ca 0.14 0.30 0.02 0.00 -1.56 0.00 0.00 55.97 54.87 2k0f s LYS 71 Cb -0.14 -3.32 0.04 0.00 -1.46 0.00 0.00 37.83 32.96 2k0f s LYS 71 CO 0.05 0.46 0.32 -1.33 0.16 0.00 0.00 175.35 175.01 2k0f n MET 72 N 2.69 0.64 -1.74 4.03 2.81 -1.26 -5.11 117.12 119.17 2k0f n MET 72 Ca -0.12 -1.05 -0.29 0.00 -1.81 0.00 0.00 57.70 54.43 2k0f n MET 72 Cb 0.52 -0.15 0.13 0.00 -0.71 0.00 0.00 33.22 33.01 2k0f n MET 72 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2k0f s LYS 73 N -3.12 1.23 0.04 0.03 2.20 -1.26 -4.88 119.74 113.98 2k0f s LYS 73 Ca 0.23 0.05 -0.24 0.00 -0.36 0.00 0.00 55.97 55.65 2k0f s LYS 73 Cb -0.02 -1.87 -0.17 0.00 -1.51 0.00 0.00 37.83 34.26 2k0f s LYS 73 CO 0.15 -2.09 1.54 0.38 -0.36 0.00 0.00 175.35 174.96 2k0f h ASP 74 N -1.42 -0.00 -0.88 1.43 3.04 -1.99 -1.86 116.42 114.74 2k0f h ASP 74 Ca -0.47 -0.21 0.15 0.00 -3.24 0.00 0.00 57.03 53.26 2k0f h ASP 74 Cb 1.31 0.00 -0.15 0.00 -1.04 0.00 0.00 39.33 39.45 2k0f h ASP 74 CO 0.57 0.21 -0.35 0.71 -2.04 0.00 0.00 179.24 178.33 2k0f h THR 75 N -0.21 0.06 -0.74 1.15 1.35 -1.98 0.94 112.91 113.47 2k0f h THR 75 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2k0f h THR 75 Cb 0.21 0.06 -0.04 0.00 -1.73 0.00 0.00 68.15 66.65 2k0f h THR 75 CO 0.00 0.00 0.45 0.44 -0.25 0.00 0.00 175.52 176.16 2k0f h ASP 76 N -0.04 0.89 -0.43 5.36 3.32 -1.95 0.03 116.42 123.60 2k0f h ASP 76 Ca 0.33 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 2k0f h ASP 76 Cb 0.59 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2k0f h ASP 76 CO -0.90 0.69 0.22 0.28 -1.72 0.00 0.00 179.24 177.80 2k0f h SER 77 N 1.03 0.55 0.06 6.45 0.02 -0.72 -1.71 113.55 119.23 2k0f h SER 77 Ca 0.27 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2k0f h SER 77 Cb -0.04 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.36 2k0f h SER 77 CO -0.05 0.51 -0.03 -0.08 -1.14 0.00 0.00 176.83 176.04 2k0f h GLU 78 N 0.55 -0.08 -0.49 3.45 4.81 -0.45 -3.28 114.58 119.09 2k0f h GLU 78 Ca 0.15 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.48 2k0f h GLU 78 Cb 0.09 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.39 2k0f h GLU 78 CO -0.02 0.20 -0.27 1.49 -0.73 0.00 0.00 179.01 179.68 2k0f h GLU 79 N -0.36 -0.16 -0.64 1.92 4.81 -1.04 -2.13 114.58 116.98 2k0f h GLU 79 Ca -0.01 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.36 2k0f h GLU 79 Cb 0.32 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.64 2k0f h GLU 79 CO 0.01 -0.10 0.12 1.49 -0.73 0.00 0.00 179.01 179.80 2k0f h GLU 80 N -0.16 0.23 -0.15 1.92 4.81 -1.39 0.29 114.58 120.13 2k0f h GLU 80 Ca 0.22 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.29 2k0f h GLU 80 Cb 0.51 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2k0f h GLU 80 CO -0.58 0.16 -0.51 0.82 -0.73 0.00 0.00 179.01 178.16 2k0f h ILE 81 N 0.24 1.33 0.29 2.32 2.04 -1.59 -3.06 117.51 119.08 2k0f h ILE 81 Ca 0.34 -1.76 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 2k0f h ILE 81 Cb 0.54 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2k0f h ILE 81 CO -0.45 0.54 -0.14 -0.09 0.00 0.00 0.00 178.15 178.01 2k0f h ARG 82 N 0.32 -0.37 0.00 2.37 2.43 -0.57 -0.25 114.38 118.31 2k0f h ARG 82 Ca 0.01 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2k0f h ARG 82 Cb 1.01 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2k0f h ARG 82 CO 0.09 -0.20 0.00 0.93 -1.51 0.00 0.00 179.97 179.28 2k0f h GLU 83 N -0.45 0.00 0.00 0.20 4.39 -0.46 -0.85 114.58 117.40 2k0f h GLU 83 Ca -0.04 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 2k0f h GLU 83 Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2k0f h GLU 83 CO 0.06 0.00 -0.23 0.00 -1.16 0.00 0.00 179.01 177.68 2k0f h ALA 84 N 2.03 0.05 -0.88 3.43 0.00 -1.38 -3.33 119.26 119.17 2k0f h ALA 84 Ca 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.37 2k0f h ALA 84 Cb 0.12 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2k0f h ALA 84 CO 0.00 0.14 0.59 0.35 0.00 0.00 0.00 179.25 180.32 2k0f h PHE 85 N -1.00 1.11 -0.96 0.00 3.57 0.41 -2.17 116.94 117.90 2k0f h PHE 85 Ca -0.06 0.03 0.25 0.00 3.53 0.00 0.00 57.97 61.72 2k0f h PHE 85 Cb 0.90 -0.38 -0.13 0.00 2.79 0.00 0.00 35.95 39.14 2k0f h PHE 85 CO 0.19 0.70 0.51 0.00 -2.23 0.00 0.00 178.31 177.48 2k0f h ARG 86 N 1.19 0.45 -0.20 1.11 3.08 -1.62 -0.96 114.38 117.44 2k0f h ARG 86 Ca 0.33 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.31 2k0f h ARG 86 Cb -0.13 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 2k0f h ARG 86 CO -0.07 0.30 -0.03 0.28 -1.07 0.00 0.00 179.97 179.38 2k0f h VAL 87 N 0.46 1.27 -0.19 2.04 2.07 -1.50 -3.23 116.25 117.16 2k0f h VAL 87 Ca 0.63 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2k0f h VAL 87 Cb 1.24 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 2k0f h VAL 87 CO -0.52 0.29 0.06 -0.26 0.02 0.00 0.00 177.57 177.15 2k0f h PHE 88 N 0.10 0.32 -3.60 1.57 0.04 -1.29 -3.41 116.94 110.66 2k0f h PHE 88 Ca 0.05 -0.03 -0.62 0.00 2.80 0.00 0.00 57.97 60.17 2k0f h PHE 88 Cb 0.45 -0.09 -0.12 0.00 2.20 0.00 0.00 35.95 38.38 2k0f h PHE 88 CO 0.04 0.40 0.38 0.34 -0.60 0.00 0.00 178.31 178.88 2k0f s ASP 89 N -5.67 6.46 0.01 2.17 2.15 -0.43 -4.67 116.67 116.68 2k0f s ASP 89 Ca -0.14 0.04 -0.20 0.00 0.43 0.00 0.00 52.55 52.68 2k0f s ASP 89 Cb 0.07 -2.39 -0.20 0.00 -0.30 0.00 0.00 42.92 40.09 2k0f s ASP 89 CO 0.71 -0.88 1.16 0.50 -0.17 0.00 0.00 175.17 176.50 2k0f h LYS 90 N 8.85 0.38 0.00 4.34 3.64 -1.81 -3.33 116.57 128.64 2k0f h LYS 90 Ca -0.25 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 58.79 2k0f h LYS 90 Cb 1.09 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2k0f h LYS 90 CO 0.95 0.98 -0.12 0.38 -2.27 0.00 0.00 179.45 179.38 2k0f h ASP 91 N -0.12 0.00 0.00 4.20 3.04 -1.92 -3.49 116.42 118.13 2k0f h ASP 91 Ca -0.04 -0.51 0.00 0.00 -3.24 0.00 0.00 57.03 53.24 2k0f h ASP 91 Cb 1.08 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.37 2k0f h ASP 91 CO 0.08 0.82 0.00 0.61 -2.04 0.00 0.00 179.24 178.72 2k0f n GLY 92 N 1.67 1.90 0.17 7.15 0.00 -1.25 -5.03 105.19 109.79 2k0f n GLY 92 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.03 1.61 -1.07 -1.95 -3.48 115.58 109.65 2k0f h ASN 93 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.36 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.01 0.00 0.61 0.07 0.00 0.00 177.43 178.12 2k0f n GLY 94 N 1.18 0.79 3.03 9.14 0.00 -1.26 -5.07 105.19 113.00 2k0f n GLY 94 Ca 0.04 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.69 -1.12 -0.37 1.61 2.02 -1.26 -4.36 117.35 111.17 2k0f s TYR 95 Ca 0.00 1.21 -0.24 0.00 -0.37 0.00 0.00 57.07 57.68 2k0f s TYR 95 Cb 0.00 0.25 0.01 0.00 -0.40 0.00 0.00 41.96 41.82 2k0f s TYR 95 CO 0.00 -0.77 0.80 0.42 -1.57 0.00 0.00 175.55 174.44 2k0f s ILE 96 N 2.67 4.70 0.38 2.71 1.01 0.15 -4.76 121.20 128.06 2k0f s ILE 96 Ca 0.15 0.89 0.08 0.00 0.00 0.00 0.00 60.65 61.77 2k0f s ILE 96 Cb -0.15 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 2k0f s ILE 96 CO -0.18 -0.47 0.16 -0.94 0.00 0.00 0.00 174.94 173.51 2k0f s SER 97 N 1.87 4.54 0.14 3.58 1.04 -1.26 -1.22 113.70 122.40 2k0f s SER 97 Ca 0.32 -0.92 -0.19 0.00 0.48 0.00 0.00 55.95 55.64 2k0f s SER 97 Cb -0.13 -0.59 0.02 0.00 0.10 0.00 0.00 66.02 65.42 2k0f s SER 97 CO 0.18 -0.42 1.70 0.00 0.98 0.00 0.00 173.24 175.68 2k0f h ALA 98 N 1.49 0.21 -0.70 5.32 0.00 -1.95 -2.17 119.26 121.46 2k0f h ALA 98 Ca -0.43 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2k0f h ALA 98 Cb 1.25 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2k0f h ALA 98 CO 0.66 -0.45 0.24 0.00 0.00 0.00 0.00 179.25 179.70 2k0f h ALA 99 N 1.27 1.09 -0.15 0.00 0.00 -1.98 -1.70 119.26 117.78 2k0f h ALA 99 Ca 0.13 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2k0f h ALA 99 Cb 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2k0f h ALA 99 CO -0.26 0.63 -0.01 0.93 0.00 0.00 0.00 179.25 180.53 2k0f h GLU 100 N 1.03 0.03 -0.59 0.00 5.08 -1.82 0.41 114.58 118.72 2k0f h GLU 100 Ca 0.23 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.50 2k0f h GLU 100 Cb 0.26 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2k0f h GLU 100 CO -0.01 0.02 0.03 1.25 -1.00 0.00 0.00 179.01 179.30 2k0f h LEU 101 N 0.03 1.00 -0.51 1.33 5.85 -0.99 -2.44 115.31 119.57 2k0f h LEU 101 Ca 0.07 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 2k0f h LEU 101 Cb 0.10 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2k0f h LEU 101 CO -0.14 1.04 0.31 -0.09 -0.34 0.00 0.00 178.44 179.23 2k0f h ARG 102 N 0.92 0.68 -0.52 1.25 9.65 -1.30 -2.10 114.38 122.96 2k0f h ARG 102 Ca 0.17 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 59.01 2k0f h ARG 102 Cb 0.52 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.92 2k0f h ARG 102 CO 0.02 0.48 0.34 1.25 2.80 0.00 0.00 179.97 184.87 2k0f h HIS 103 N 0.68 0.64 -0.91 2.20 2.76 -0.56 0.23 115.15 120.19 2k0f h HIS 103 Ca 0.18 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2k0f h HIS 103 Cb -0.03 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 28.67 2k0f h HIS 103 CO -0.03 0.39 0.53 -0.24 -1.30 0.00 0.00 177.93 177.28 2k0f h VAL 104 N 0.69 1.26 -0.07 5.26 3.04 -1.38 -1.80 116.25 123.24 2k0f h VAL 104 Ca 0.20 -0.58 -0.11 0.00 -1.01 0.00 0.00 66.70 65.19 2k0f h VAL 104 Cb -0.05 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.20 2k0f h VAL 104 CO -0.06 0.28 -0.45 0.24 -1.01 0.00 0.00 177.57 176.57 2k0f h MET 105 N 1.27 0.17 0.11 4.17 2.07 -0.90 -2.39 114.93 119.43 2k0f h MET 105 Ca 0.33 -0.09 -0.16 0.00 -2.07 0.00 0.00 59.70 57.71 2k0f h MET 105 Cb -0.03 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 29.72 2k0f h MET 105 CO -0.06 0.59 -0.72 1.15 1.07 0.00 0.00 176.91 178.94 2k0f h THR 106 N 0.14 1.52 -0.85 2.22 2.02 -0.87 0.81 112.91 117.89 2k0f h THR 106 Ca 0.01 -2.49 0.13 0.00 0.77 0.00 0.00 66.41 64.83 2k0f h THR 106 Cb 0.85 3.18 -0.06 0.00 -1.74 0.00 0.00 68.15 70.38 2k0f h THR 106 CO 0.07 0.69 0.55 0.78 0.37 0.00 0.00 175.52 177.98 2k0f h ASN 107 N -0.50 0.63 0.03 4.18 2.35 -1.40 0.04 115.58 120.91 2k0f h ASN 107 Ca -0.13 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.59 2k0f h ASN 107 Cb 1.53 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.79 2k0f h ASN 107 CO 0.11 0.34 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.00 2k0f h LEU 108 N 0.68 0.24 -0.01 1.61 3.38 -1.16 -3.45 115.31 116.60 2k0f h LEU 108 Ca 0.42 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2k0f h LEU 108 Cb 0.65 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2k0f h LEU 108 CO -0.18 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.38 2k0f n GLY 109 N -0.81 1.75 3.79 0.83 0.00 0.03 -5.08 105.19 105.70 2k0f n GLY 109 Ca -0.01 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N -1.36 4.46 -1.26 1.61 0.41 0.06 -4.99 118.70 117.64 2k0f s GLU 110 Ca 0.00 1.09 -0.19 0.00 -0.41 0.00 0.00 54.97 55.45 2k0f s GLU 110 Cb 0.00 -3.05 0.04 0.00 -1.78 0.00 0.00 34.13 29.33 2k0f s GLU 110 CO 0.00 0.46 1.76 0.21 -0.49 0.00 0.00 175.26 177.21 2k0f s LYS 111 N -1.58 3.67 0.20 1.61 2.20 -1.26 -4.58 119.74 120.01 2k0f s LYS 111 Ca 0.41 -1.78 0.04 0.00 -0.36 0.00 0.00 55.97 54.28 2k0f s LYS 111 Cb -0.20 -5.47 -0.03 0.00 -1.51 0.00 0.00 37.83 30.62 2k0f s LYS 111 CO 0.24 -2.60 0.33 -0.51 -0.36 0.00 0.00 175.35 172.45 2k0f s LEU 112 N 5.62 4.32 0.00 5.43 1.02 -1.26 -5.14 118.68 128.66 2k0f s LEU 112 Ca 0.56 0.10 0.02 0.00 0.02 0.00 0.00 54.13 54.84 2k0f s LEU 112 Cb 0.03 -2.87 0.02 0.00 0.02 0.00 0.00 46.19 43.39 2k0f s LEU 112 CO 0.08 -0.02 0.18 0.35 0.02 0.00 0.00 176.35 176.96 2k0f n THR 113 N -1.07 0.00 1.07 5.49 -2.24 -1.26 -5.03 114.28 111.24 2k0f n THR 113 Ca -0.08 -0.73 0.11 0.00 -2.27 0.00 0.00 64.05 61.08 2k0f n THR 113 Cb 0.56 -0.47 0.12 0.00 -2.10 0.00 0.00 70.33 68.44 2k0f n THR 113 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k0f n ASP 114 N -2.17 1.21 -0.09 3.42 8.00 -1.26 -3.44 116.55 122.22 2k0f n ASP 114 Ca 0.01 -0.97 -0.10 0.00 0.71 0.00 0.00 54.79 54.44 2k0f n ASP 114 Cb 0.21 0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 41.75 2k0f n ASP 114 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2k0f h GLU 115 N 1.03 0.42 -0.68 -1.24 4.81 -1.99 -2.58 114.58 114.35 2k0f h GLU 115 Ca 0.00 -0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 115 Cb 0.58 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.82 2k0f h GLU 115 CO 0.00 0.47 0.28 0.93 -0.73 0.00 0.00 179.01 179.96 2k0f h GLU 116 N 0.28 0.46 0.27 1.92 4.39 -1.96 -1.94 114.58 118.01 2k0f h GLU 116 Ca 0.09 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2k0f h GLU 116 Cb 0.21 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2k0f h GLU 116 CO -0.00 0.31 -0.14 0.28 -1.16 0.00 0.00 179.01 178.30 2k0f h VAL 117 N 0.48 0.72 -0.75 3.13 2.07 -1.57 -2.17 116.25 118.15 2k0f h VAL 117 Ca 0.35 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.97 2k0f h VAL 117 Cb 0.44 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 2k0f h VAL 117 CO -0.32 0.00 0.39 -0.78 0.02 0.00 0.00 177.57 176.88 2k0f h ASP 118 N -0.38 0.52 -0.99 0.57 1.82 -1.20 0.54 116.42 117.31 2k0f h ASP 118 Ca -0.04 0.06 0.07 0.00 -0.39 0.00 0.00 57.03 56.73 2k0f h ASP 118 Cb 0.29 -0.03 -0.07 0.00 0.68 0.00 0.00 39.33 40.21 2k0f h ASP 118 CO 0.06 0.29 0.64 -0.08 -1.61 0.00 0.00 179.24 178.53 2k0f h GLU 119 N 0.65 1.11 0.10 0.28 4.81 -1.20 0.46 114.58 120.79 2k0f h GLU 119 Ca 0.37 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.40 2k0f h GLU 119 Cb 0.40 -0.25 0.02 0.00 0.63 0.00 0.00 28.75 29.54 2k0f h GLU 119 CO -0.27 0.74 -0.60 0.52 -0.73 0.00 0.00 179.01 178.66 2k0f h MET 120 N 1.15 0.23 -0.03 1.92 2.86 -0.91 -1.96 114.93 118.20 2k0f h MET 120 Ca 0.43 -0.38 -0.16 0.00 -2.06 0.00 0.00 59.70 57.53 2k0f h MET 120 Cb 0.18 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2k0f h MET 120 CO -0.17 1.18 -0.70 0.82 1.06 0.00 0.00 176.91 179.10 2k0f h ILE 121 N -0.52 1.45 0.00 -1.22 1.08 -0.47 -2.84 117.51 114.99 2k0f h ILE 121 Ca -0.10 -2.26 -0.01 0.00 -0.39 0.00 0.00 64.86 62.10 2k0f h ILE 121 Cb 1.47 2.21 -0.00 0.00 -3.07 0.00 0.00 36.82 37.42 2k0f h ILE 121 CO 0.11 0.66 -0.03 -0.09 -0.69 0.00 0.00 178.15 178.11 2k0f h ARG 122 N 0.10 0.00 0.10 2.37 2.43 -0.19 -1.66 114.38 117.54 2k0f h ARG 122 Ca -0.02 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.87 2k0f h ARG 122 Cb 1.24 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.81 2k0f h ARG 122 CO 0.10 0.03 -1.20 1.49 -1.51 0.00 0.00 179.97 178.88 2k0f h GLU 123 N 0.00 0.54 0.00 0.20 4.81 -1.12 -3.30 114.58 115.71 2k0f h GLU 123 Ca -0.00 -0.72 -0.11 0.00 -0.13 0.00 0.00 59.36 58.40 2k0f h GLU 123 Cb 0.50 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2k0f h GLU 123 CO 0.00 1.31 -0.55 0.00 -0.73 0.00 0.00 179.01 179.05 2k0f h ALA 124 N 0.41 0.65 -2.62 2.92 0.00 -1.44 -3.45 119.26 115.72 2k0f h ALA 124 Ca -0.16 -0.50 -0.53 0.00 0.00 0.00 0.00 54.91 53.72 2k0f h ALA 124 Cb 1.87 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 19.61 2k0f h ALA 124 CO 0.22 0.68 0.72 0.34 0.00 0.00 0.00 179.25 181.21 2k0f s ASP 125 N -6.48 6.80 -0.22 0.00 2.15 -0.63 -4.86 116.67 113.42 2k0f s ASP 125 Ca 0.04 2.43 -0.16 0.00 0.43 0.00 0.00 52.55 55.29 2k0f s ASP 125 Cb 0.08 -2.60 -0.10 0.00 -0.30 0.00 0.00 42.92 40.00 2k0f s ASP 125 CO 0.75 -0.64 -0.27 -0.38 -0.17 0.00 0.00 175.17 174.46 2k0f n ILE 126 N 3.28 1.51 0.03 4.11 5.41 -1.26 -4.83 119.36 127.62 2k0f n ILE 126 Ca 0.09 -0.10 -0.01 0.00 1.00 0.00 0.00 62.75 63.72 2k0f n ILE 126 Cb 0.42 -2.11 -0.01 0.00 -0.71 0.00 0.00 39.64 37.23 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -1.00 -0.08 0.00 4.38 3.04 -1.94 -3.49 116.42 117.33 2k0f h ASP 127 Ca -0.35 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.44 2k0f h ASP 127 Cb 1.26 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 2k0f h ASP 127 CO -0.21 -0.04 0.00 0.61 -2.04 0.00 0.00 179.24 177.56 2k0f n GLY 128 N 0.07 -0.38 0.05 7.15 0.00 -1.26 -5.04 105.19 105.78 2k0f n GLY 128 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 0.53 -1.57 1.61 5.75 -1.26 -4.94 116.55 116.66 2k0f n ASP 129 Ca 0.00 0.24 -0.12 0.00 -0.01 0.00 0.00 54.79 54.89 2k0f n ASP 129 Cb 0.00 -0.20 0.01 0.00 -1.03 0.00 0.00 41.12 39.90 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 1.40 -0.07 2.98 6.12 0.00 -1.26 -5.05 105.19 109.31 2k0f n GLY 130 Ca 0.05 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.87 0.30 -0.40 1.61 -0.21 -1.26 -4.86 119.66 109.98 2k0f s GLN 131 Ca 0.08 -0.53 -0.12 0.00 0.02 0.00 0.00 55.36 54.81 2k0f s GLN 131 Cb -0.04 0.01 0.04 0.00 1.00 0.00 0.00 33.01 34.03 2k0f s GLN 131 CO 0.10 -0.02 0.25 0.08 -2.12 0.00 0.00 175.29 173.58 2k0f s VAL 132 N -1.19 4.71 0.59 1.09 1.01 -0.36 -4.79 120.40 121.46 2k0f s VAL 132 Ca -0.12 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 2k0f s VAL 132 Cb -0.08 -3.68 0.13 0.00 0.00 0.00 0.00 36.38 32.74 2k0f s VAL 132 CO -0.01 -0.32 0.81 -0.46 0.00 0.00 0.00 175.10 175.12 2k0f n ASN 133 N 5.04 0.64 -0.15 3.32 0.23 -1.26 0.29 115.26 123.37 2k0f n ASN 133 Ca -0.11 -1.65 -0.11 0.00 -0.53 0.00 0.00 54.58 52.18 2k0f n ASN 133 Cb 0.45 -0.57 -0.01 0.00 -2.08 0.00 0.00 39.78 37.58 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 -0.92 0.93 0.00 -2.53 3.20 -1.98 -2.59 116.97 113.08 2k0f h TYR 134 Ca -0.26 -0.20 -0.03 0.00 3.14 0.00 0.00 58.73 61.38 2k0f h TYR 134 Cb 0.87 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 2k0f h TYR 134 CO 0.00 0.94 -0.14 1.49 -1.64 0.00 0.00 178.16 178.81 2k0f h GLU 135 N 0.65 0.00 0.03 1.82 4.81 -1.96 -2.37 114.58 117.57 2k0f h GLU 135 Ca 0.11 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 135 Cb 0.64 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2k0f h GLU 135 CO 0.04 0.14 -1.00 0.93 -0.73 0.00 0.00 179.01 178.39 2k0f h GLU 136 N 0.00 0.15 -0.05 1.92 5.08 -1.89 -3.17 114.58 116.62 2k0f h GLU 136 Ca -0.00 -0.21 -0.17 0.00 -1.00 0.00 0.00 59.36 57.98 2k0f h GLU 136 Cb 0.26 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.59 2k0f h GLU 136 CO 0.02 1.03 -0.62 0.35 -1.00 0.00 0.00 179.01 178.78 2k0f h PHE 137 N 0.06 0.72 -0.71 4.33 3.57 -1.03 -1.64 116.94 122.25 2k0f h PHE 137 Ca -0.06 -0.36 0.03 0.00 3.53 0.00 0.00 57.97 61.12 2k0f h PHE 137 Cb 1.69 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 40.29 2k0f h PHE 137 CO 0.03 1.16 0.44 0.28 -2.23 0.00 0.00 178.31 177.99 2k0f h VAL 138 N 0.08 1.09 -0.16 1.41 2.07 -1.65 -2.40 116.25 116.69 2k0f h VAL 138 Ca -0.06 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.18 2k0f h VAL 138 Cb 1.30 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2k0f h VAL 138 CO 0.13 0.16 0.02 -0.61 0.02 0.00 0.00 177.57 177.28 2k0f h GLN 139 N 0.86 0.08 0.71 1.57 5.75 -1.49 -2.38 115.11 120.20 2k0f h GLN 139 Ca 0.29 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.75 2k0f h GLN 139 Cb 0.03 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 28.57 2k0f h GLN 139 CO -0.11 0.05 -0.34 1.98 -2.65 0.00 0.00 178.83 177.76 2k0f h MET 140 N 0.08 -0.92 -0.00 1.69 4.05 -1.26 -3.34 114.93 115.24 2k0f h MET 140 Ca 0.07 0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 2k0f h MET 140 Cb 0.07 0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 2k0f h MET 140 CO -0.10 -0.59 -0.25 -1.33 0.23 0.00 0.00 176.91 174.87 2k0f n MET 141 N -5.47 0.34 0.00 0.39 2.81 -0.91 -5.10 117.12 109.18 2k0f n MET 141 Ca -0.13 -0.15 0.15 0.00 -1.81 0.00 0.00 57.70 55.75 2k0f n MET 141 Cb 0.39 -1.50 0.67 0.00 -0.71 0.00 0.00 33.22 32.07 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73