#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 -0.06 -0.37 -0.78 0.00 -1.26 -2.42 120.64 115.76 2k0f n GLU 2 Ca 0.00 1.06 -0.10 0.00 0.00 0.00 0.00 57.16 58.11 2k0f n GLU 2 Cb 0.00 -1.58 -0.08 0.00 0.00 0.00 0.00 31.44 29.78 2k0f n GLU 2 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2k0f h GLU 3 N 0.00 -0.07 -0.69 5.31 3.07 -2.05 -1.20 114.58 118.95 2k0f h GLU 3 Ca 0.02 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.00 2k0f h GLU 3 Cb 0.05 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 27.89 2k0f h GLU 3 CO -0.12 -0.05 0.27 1.96 -1.40 0.00 0.00 179.01 179.67 2k0f h GLN 4 N -0.07 0.42 -0.07 2.33 4.20 -1.95 0.44 115.11 120.41 2k0f h GLN 4 Ca 0.16 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.67 2k0f h GLN 4 Cb 0.46 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2k0f h GLN 4 CO -0.88 0.28 -0.72 -0.84 -0.67 0.00 0.00 178.83 175.99 2k0f h ILE 5 N 0.43 1.39 -0.78 2.54 3.07 -1.23 0.70 117.51 123.63 2k0f h ILE 5 Ca 0.37 -2.17 0.01 0.00 1.55 0.00 0.00 64.86 64.62 2k0f h ILE 5 Cb 0.51 2.13 -0.04 0.00 -0.27 0.00 0.00 36.82 39.15 2k0f h ILE 5 CO -0.36 0.65 0.52 0.00 -1.05 0.00 0.00 178.15 177.90 2k0f h ALA 6 N 0.99 0.99 -0.12 0.16 0.00 -0.66 -1.31 119.26 119.30 2k0f h ALA 6 Ca -0.03 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2k0f h ALA 6 Cb 1.29 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2k0f h ALA 6 CO 0.12 0.40 -0.62 0.93 0.00 0.00 0.00 179.25 180.08 2k0f h GLU 7 N 1.06 0.44 -0.33 0.00 5.08 0.70 -2.36 114.58 119.17 2k0f h GLU 7 Ca 0.29 -0.31 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2k0f h GLU 7 Cb -0.12 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2k0f h GLU 7 CO -0.06 0.93 -0.28 0.35 -1.00 0.00 0.00 179.01 178.94 2k0f h PHE 8 N 0.33 0.78 -0.39 4.33 3.57 0.38 -2.07 116.94 123.87 2k0f h PHE 8 Ca -0.01 -0.19 0.05 0.00 3.53 0.00 0.00 57.97 61.35 2k0f h PHE 8 Cb 1.17 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 2k0f h PHE 8 CO 0.04 0.89 0.26 -0.22 -2.23 0.00 0.00 178.31 177.06 2k0f h LYS 9 N 0.59 0.29 0.20 1.11 3.64 -1.03 -2.92 116.57 118.45 2k0f h LYS 9 Ca 0.07 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2k0f h LYS 9 Cb 0.78 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2k0f h LYS 9 CO 0.06 0.19 -0.10 0.93 -2.27 0.00 0.00 179.45 178.27 2k0f h GLU 10 N 0.30 -0.26 -0.59 1.90 5.08 -0.89 -3.37 114.58 116.74 2k0f h GLU 10 Ca 0.17 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 2k0f h GLU 10 Cb 0.30 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2k0f h GLU 10 CO -0.04 0.09 0.02 0.00 -1.00 0.00 0.00 179.01 178.08 2k0f h ALA 11 N -0.56 0.92 -0.15 3.43 0.00 -1.31 -2.18 119.26 119.42 2k0f h ALA 11 Ca -0.03 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2k0f h ALA 11 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2k0f h ALA 11 CO 0.05 0.65 -0.31 0.35 0.00 0.00 0.00 179.25 179.98 2k0f h PHE 12 N 0.93 0.32 -0.29 0.00 3.57 -1.72 -3.23 116.94 116.52 2k0f h PHE 12 Ca 0.17 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2k0f h PHE 12 Cb 0.51 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2k0f h PHE 12 CO 0.03 0.57 0.00 -1.13 -2.23 0.00 0.00 178.31 175.55 2k0f n SER 13 N -4.10 3.10 -0.01 0.41 3.41 -1.03 -0.90 113.62 114.50 2k0f n SER 13 Ca -0.01 -1.90 0.01 0.00 -0.26 0.00 0.00 58.87 56.71 2k0f n SER 13 Cb 0.41 -0.18 0.34 0.00 -0.26 0.00 0.00 64.21 64.52 2k0f n SER 13 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2k0f h LEU 14 N 3.78 0.50 0.00 1.04 3.38 -1.42 -3.40 115.31 119.19 2k0f h LEU 14 Ca 0.00 -0.06 -0.38 0.00 0.09 0.00 0.00 57.88 57.53 2k0f h LEU 14 Cb 0.87 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 2k0f h LEU 14 CO 0.00 0.48 -2.11 0.49 0.09 0.00 0.00 178.44 177.39 2k0f n PHE 15 N -4.36 0.31 -2.00 1.13 3.72 -0.76 -4.87 117.46 110.62 2k0f n PHE 15 Ca 0.02 0.13 -0.41 0.00 -0.05 0.00 0.00 57.45 57.14 2k0f n PHE 15 Cb 0.16 -1.01 -0.02 0.00 -0.94 0.00 0.00 39.48 37.67 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k0f s ASP 16 N -7.25 6.64 -0.16 4.37 -1.08 -0.08 -4.52 116.67 114.60 2k0f s ASP 16 Ca -0.35 2.71 -0.06 0.00 -0.52 0.00 0.00 52.55 54.32 2k0f s ASP 16 Cb 0.12 -2.63 -0.23 0.00 -1.46 0.00 0.00 42.92 38.71 2k0f s ASP 16 CO 0.51 -0.70 0.21 1.17 0.52 0.00 0.00 175.17 176.88 2k0f n LYS 17 N 2.04 0.72 -0.04 4.34 3.00 -1.26 -4.18 118.16 122.78 2k0f n LYS 17 Ca 0.06 0.26 -0.13 0.00 -0.00 0.00 0.00 58.31 58.49 2k0f n LYS 17 Cb 0.40 -1.66 -0.08 0.00 0.00 0.00 0.00 35.03 33.69 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2k0f h ASP 18 N -0.03 0.21 0.00 3.14 3.32 -1.96 -3.48 116.42 117.62 2k0f h ASP 18 Ca -0.46 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.14 2k0f h ASP 18 Cb 1.95 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.44 2k0f h ASP 18 CO 0.02 0.62 0.00 0.61 -1.72 0.00 0.00 179.24 178.77 2k0f n GLY 19 N 0.12 1.31 0.00 2.75 0.00 -1.26 -5.05 105.19 103.06 2k0f n GLY 19 Ca -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.83 0.00 0.00 1.61 5.68 -1.26 -5.03 116.55 118.38 2k0f n ASP 20 Ca 0.00 0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 2k0f n ASP 20 Cb 0.20 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.70 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 1.76 0.19 2.68 6.12 0.00 -1.26 -5.14 105.19 109.55 2k0f n GLY 21 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 0.22 -0.19 2.61 -4.23 -1.26 -3.99 115.64 108.80 2k0f s THR 22 Ca 0.00 -0.33 -0.29 0.00 -1.18 0.00 0.00 61.69 59.89 2k0f s THR 22 Cb 0.00 -0.78 -0.00 0.00 1.34 0.00 0.00 72.50 73.05 2k0f s THR 22 CO 0.00 -0.22 1.18 -0.63 -0.54 0.00 0.00 174.62 174.42 2k0f s ILE 23 N 2.00 4.43 0.46 2.99 1.01 0.39 -4.83 121.20 127.64 2k0f s ILE 23 Ca 0.01 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.38 2k0f s ILE 23 Cb -0.16 -4.12 -0.00 0.00 0.01 0.00 0.00 42.46 38.19 2k0f s ILE 23 CO -0.08 -0.16 0.68 0.42 0.00 0.00 0.00 174.94 175.79 2k0f s THR 24 N 3.41 3.94 0.18 2.92 -4.23 -1.26 -1.12 115.64 119.48 2k0f s THR 24 Ca 0.51 -0.49 -0.23 0.00 -1.18 0.00 0.00 61.69 60.30 2k0f s THR 24 Cb -0.19 -3.46 0.08 0.00 1.34 0.00 0.00 72.50 70.27 2k0f s THR 24 CO 0.12 -0.33 1.44 0.41 -0.54 0.00 0.00 174.62 175.72 2k0f n THR 25 N -2.10 -0.56 0.09 3.99 -1.04 -1.26 -1.55 114.28 111.84 2k0f n THR 25 Ca 0.02 2.22 -0.12 0.00 -2.04 0.00 0.00 64.05 64.13 2k0f n THR 25 Cb 0.58 -2.84 -0.05 0.00 -1.82 0.00 0.00 70.33 66.20 2k0f n THR 25 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2k0f h LYS 26 N 0.00 -0.33 -0.16 -2.82 3.64 -1.99 -3.05 116.57 111.85 2k0f h LYS 26 Ca 0.24 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 2k0f h LYS 26 Cb 0.47 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2k0f h LYS 26 CO -0.90 -0.22 -0.32 0.93 -2.27 0.00 0.00 179.45 176.67 2k0f h GLU 27 N -0.35 0.33 -0.58 1.90 5.08 -1.84 -1.30 114.58 117.81 2k0f h GLU 27 Ca 0.04 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 27 Cb 0.39 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 27 CO -0.14 0.62 0.28 1.25 -1.00 0.00 0.00 179.01 180.02 2k0f h LEU 28 N 0.29 0.38 -0.47 1.33 5.85 -1.30 -2.98 115.31 118.40 2k0f h LEU 28 Ca 0.04 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2k0f h LEU 28 Cb 0.71 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2k0f h LEU 28 CO 0.05 0.25 -0.36 1.23 -0.34 0.00 0.00 178.44 179.27 2k0f h GLY 29 N 0.52 0.00 0.72 3.75 0.00 -1.30 -3.02 103.07 103.75 2k0f h GLY 29 Ca 0.27 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.65 2k0f h GLY 29 CO -0.21 0.00 0.32 -0.84 0.00 0.00 0.00 176.54 175.81 2k0f h THR 30 N 0.00 0.98 -0.38 4.70 2.02 -1.10 0.84 112.91 119.97 2k0f h THR 30 Ca -0.00 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 66.99 2k0f h THR 30 Cb 1.09 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 2k0f h THR 30 CO 0.05 0.11 0.20 0.58 0.37 0.00 0.00 175.52 176.83 2k0f h VAL 31 N 0.61 1.00 -0.32 3.16 2.07 -1.53 0.17 116.25 121.41 2k0f h VAL 31 Ca 0.26 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.71 2k0f h VAL 31 Cb 0.14 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 2k0f h VAL 31 CO -0.16 0.08 -0.17 0.24 0.02 0.00 0.00 177.57 177.57 2k0f h MET 32 N 0.41 -0.12 0.00 1.57 2.86 -1.42 -1.67 114.93 116.56 2k0f h MET 32 Ca 0.16 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2k0f h MET 32 Cb 0.05 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2k0f h MET 32 CO -0.10 -0.08 0.00 0.00 1.06 0.00 0.00 176.91 177.79 2k0f h ARG 33 N -0.13 0.00 0.14 1.72 3.08 -0.74 0.40 114.38 118.86 2k0f h ARG 33 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2k0f h ARG 33 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2k0f h ARG 33 CO -0.40 0.00 -0.07 0.77 -1.07 0.00 0.00 179.97 179.21 2k0f h SER 34 N 0.00 -0.16 0.23 7.04 0.02 -0.07 -3.31 113.55 117.30 2k0f h SER 34 Ca 0.00 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.69 2k0f h SER 34 Cb 0.81 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 2k0f h SER 34 CO 0.00 0.20 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.50 2k0f h LEU 35 N -0.54 -0.91 0.00 5.07 3.38 -1.31 -3.48 115.31 117.52 2k0f h LEU 35 Ca -0.02 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2k0f h LEU 35 Cb 0.42 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2k0f h LEU 35 CO 0.03 -0.44 0.00 0.61 0.09 0.00 0.00 178.44 178.73 2k0f n GLY 36 N -1.43 -0.09 3.28 0.83 0.00 0.12 -5.11 105.19 102.79 2k0f n GLY 36 Ca -0.08 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 0.44 -0.19 1.61 2.00 0.07 -4.97 119.66 118.62 2k0f s GLN 37 Ca 0.00 0.57 -0.16 0.00 -2.00 0.00 0.00 55.36 53.76 2k0f s GLN 37 Cb 0.00 0.19 -0.04 0.00 0.80 0.00 0.00 33.01 33.96 2k0f s GLN 37 CO 0.00 -0.07 0.42 -0.80 -0.50 0.00 0.00 175.29 174.34 2k0f s ASN 38 N 0.35 6.48 0.83 6.67 -0.87 -1.26 -3.23 114.94 123.91 2k0f s ASN 38 Ca -0.01 0.56 -0.12 0.00 -1.57 0.00 0.00 52.86 51.72 2k0f s ASN 38 Cb -0.03 -2.24 0.11 0.00 -0.02 0.00 0.00 41.25 39.06 2k0f s ASN 38 CO -0.01 -0.08 1.19 -2.16 -2.57 0.00 0.00 177.10 173.47 2k0f s PRO 39 N 1.29 1.65 -0.37 -0.60 0.04 -1.26 -5.03 135.00 130.71 2k0f s PRO 39 Ca 0.20 -0.10 -0.27 0.00 0.04 0.00 0.00 61.00 60.88 2k0f s PRO 39 Cb -0.15 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.45 2k0f s PRO 39 CO 0.08 -1.76 0.98 0.99 0.04 0.00 0.00 177.00 177.33 2k0f s THR 40 N -3.61 4.53 0.28 1.26 2.01 -1.26 -4.95 115.64 113.90 2k0f s THR 40 Ca 0.65 1.29 0.03 0.00 0.31 0.00 0.00 61.69 63.96 2k0f s THR 40 Cb -0.09 -4.38 0.05 0.00 0.01 0.00 0.00 72.50 68.09 2k0f s THR 40 CO 0.49 -0.59 1.70 -0.33 -0.69 0.00 0.00 174.62 175.21 2k0f h GLU 41 N 8.50 0.44 0.00 4.92 5.08 -1.99 0.47 114.58 132.01 2k0f h GLU 41 Ca -0.23 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 57.89 2k0f h GLU 41 Cb 1.07 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2k0f h GLU 41 CO 1.01 0.70 -0.32 0.00 -1.00 0.00 0.00 179.01 179.40 2k0f h ALA 42 N 1.30 1.24 0.08 3.43 0.00 -1.98 -1.28 119.26 122.05 2k0f h ALA 42 Ca 0.05 -0.29 -0.32 0.00 0.00 0.00 0.00 54.91 54.35 2k0f h ALA 42 Cb 0.72 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2k0f h ALA 42 CO 0.06 0.40 -1.74 1.49 0.00 0.00 0.00 179.25 179.45 2k0f h GLU 43 N 0.00 0.16 -0.30 0.00 4.81 -1.41 -3.02 114.58 114.83 2k0f h GLU 43 Ca -0.00 -0.28 0.06 0.00 -0.13 0.00 0.00 59.36 59.00 2k0f h GLU 43 Cb 0.66 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.09 2k0f h GLU 43 CO 0.04 0.93 -0.05 1.25 -0.73 0.00 0.00 179.01 180.45 2k0f h LEU 44 N 0.04 -0.22 -1.49 1.64 5.85 -0.99 -2.63 115.31 117.51 2k0f h LEU 44 Ca -0.31 0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.62 2k0f h LEU 44 Cb 2.02 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 43.16 2k0f h LEU 44 CO 0.11 -0.08 0.51 -0.61 -0.34 0.00 0.00 178.44 178.04 2k0f h GLN 45 N 0.03 0.50 -0.36 1.25 4.15 -1.33 -1.44 115.11 117.91 2k0f h GLN 45 Ca 0.14 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.40 2k0f h GLN 45 Cb 0.21 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 2k0f h GLN 45 CO -0.28 0.33 -0.31 0.22 -1.93 0.00 0.00 178.83 176.86 2k0f h ASP 46 N 0.51 0.82 -0.33 -0.69 3.58 -1.33 -1.01 116.42 117.97 2k0f h ASP 46 Ca 0.38 -0.33 0.06 0.00 0.42 0.00 0.00 57.03 57.56 2k0f h ASP 46 Cb 0.75 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 41.51 2k0f h ASP 46 CO -0.14 1.06 -0.05 -0.03 -2.88 0.00 0.00 179.24 177.21 2k0f h MET 47 N 0.67 0.03 0.33 0.28 4.05 -1.01 0.42 114.93 119.70 2k0f h MET 47 Ca 0.07 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 2k0f h MET 47 Cb 0.84 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.61 2k0f h MET 47 CO 0.07 0.02 -0.44 0.82 0.23 0.00 0.00 176.91 177.62 2k0f h ILE 48 N 0.04 0.00 0.00 1.77 2.04 -1.29 -3.03 117.51 117.03 2k0f h ILE 48 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 2k0f h ILE 48 Cb 0.24 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 2k0f h ILE 48 CO -0.32 0.00 0.00 0.78 0.00 0.00 0.00 178.15 178.61 2k0f h ASN 49 N -0.79 0.00 0.55 1.72 2.35 -0.96 -2.23 115.58 116.23 2k0f h ASN 49 Ca -0.04 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 2k0f h ASN 49 Cb 0.71 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.09 2k0f h ASN 49 CO -0.11 0.00 -0.26 -0.08 -1.65 0.00 0.00 177.43 175.32 2k0f h GLU 50 N 0.00 -0.71 0.00 0.81 4.81 -0.79 -3.28 114.58 115.43 2k0f h GLU 50 Ca 0.00 0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 50 Cb 0.09 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2k0f h GLU 50 CO 0.00 -0.46 -0.22 0.28 -0.73 0.00 0.00 179.01 177.88 2k0f h VAL 51 N -0.77 1.10 -0.93 0.32 2.07 -1.61 -3.44 116.25 112.98 2k0f h VAL 51 Ca -0.08 -0.77 -0.57 0.00 0.82 0.00 0.00 66.70 66.10 2k0f h VAL 51 Cb 0.58 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2k0f h VAL 51 CO 0.12 0.22 1.57 -0.67 0.02 0.00 0.00 177.57 178.83 2k0f n ASP 52 N -4.19 1.68 -0.06 0.57 2.03 -0.84 -4.86 116.55 110.88 2k0f n ASP 52 Ca -0.02 0.09 -0.03 0.00 0.52 0.00 0.00 54.79 55.35 2k0f n ASP 52 Cb 0.28 -1.26 -0.03 0.00 -0.72 0.00 0.00 41.12 39.40 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f h ALA 53 N 14.29 0.00 -0.82 -1.67 0.00 -1.89 -3.43 119.26 125.74 2k0f h ALA 53 Ca -0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2k0f h ALA 53 Cb 1.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2k0f h ALA 53 CO 1.16 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 180.04 2k0f n ASP 54 N -4.73 0.00 0.00 0.00 5.68 -1.26 -5.00 116.55 111.23 2k0f n ASP 54 Ca -0.03 0.76 0.00 0.00 -0.50 0.00 0.00 54.79 55.03 2k0f n ASP 54 Cb 0.12 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N -0.26 0.12 0.09 6.12 0.00 -1.26 -5.07 105.19 104.93 2k0f n GLY 55 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.74 -0.78 1.61 0.23 -1.26 -4.97 115.26 110.83 2k0f n ASN 56 Ca 0.00 0.18 -0.08 0.00 -0.53 0.00 0.00 54.58 54.16 2k0f n ASN 56 Cb 0.00 0.52 -0.01 0.00 -2.08 0.00 0.00 39.78 38.21 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 1.25 0.37 3.29 4.83 0.00 -1.26 -5.03 105.19 108.64 2k0f n GLY 57 Ca 0.01 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.35 1.72 -0.47 2.61 -4.23 -1.26 -4.71 115.64 106.95 2k0f s THR 58 Ca 0.00 -1.58 -0.28 0.00 -1.18 0.00 0.00 61.69 58.65 2k0f s THR 58 Cb 0.00 -1.58 0.03 0.00 1.34 0.00 0.00 72.50 72.28 2k0f s THR 58 CO 0.00 -0.09 1.07 -0.63 -0.54 0.00 0.00 174.62 174.43 2k0f s ILE 59 N -1.26 4.30 0.85 2.99 1.01 -0.28 -4.85 121.20 123.95 2k0f s ILE 59 Ca 0.07 1.11 -0.10 0.00 0.00 0.00 0.00 60.65 61.73 2k0f s ILE 59 Cb -0.10 -4.55 0.15 0.00 0.01 0.00 0.00 42.46 37.98 2k0f s ILE 59 CO 0.04 -0.94 1.18 -1.81 0.00 0.00 0.00 174.94 173.42 2k0f s ASP 60 N 2.37 3.80 0.10 3.58 1.01 -1.26 -0.46 116.67 125.81 2k0f s ASP 60 Ca 0.45 0.16 -0.34 0.00 0.71 0.00 0.00 52.55 53.53 2k0f s ASP 60 Cb -0.08 -0.42 -0.15 0.00 1.01 0.00 0.00 42.92 43.28 2k0f s ASP 60 CO 0.29 -2.27 1.58 -0.26 0.21 0.00 0.00 175.17 174.72 2k0f h PHE 61 N -1.14 -1.29 0.00 4.23 0.04 -1.96 -1.22 116.94 115.60 2k0f h PHE 61 Ca -0.42 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.36 2k0f h PHE 61 Cb 1.26 0.51 0.00 0.00 2.20 0.00 0.00 35.95 39.93 2k0f h PHE 61 CO -0.56 -0.60 0.00 -0.35 -0.60 0.00 0.00 178.31 176.19 2k0f n PRO 62 N -5.52 0.44 -0.04 1.51 -0.04 -1.26 -2.22 135.00 127.87 2k0f n PRO 62 Ca -0.10 0.05 -0.17 0.00 -0.04 0.00 0.00 63.50 63.24 2k0f n PRO 62 Cb 0.42 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.09 -0.95 0.54 5.08 -1.82 -2.94 114.58 114.57 2k0f h GLU 63 Ca 0.00 -0.16 0.22 0.00 -1.00 0.00 0.00 59.36 58.43 2k0f h GLU 63 Cb 0.18 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.37 2k0f h GLU 63 CO 0.00 1.07 0.51 0.35 -1.00 0.00 0.00 179.01 179.95 2k0f h PHE 64 N -0.80 0.87 -0.20 4.33 3.04 -1.16 -2.61 116.94 120.41 2k0f h PHE 64 Ca -0.08 0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.84 2k0f h PHE 64 Cb 1.23 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.49 2k0f h PHE 64 CO 0.24 0.05 -0.15 -0.07 -2.02 0.00 0.00 178.31 176.36 2k0f h LEU 65 N 0.54 0.32 -1.58 0.59 3.38 -1.53 -2.45 115.31 114.57 2k0f h LEU 65 Ca 0.60 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.44 2k0f h LEU 65 Cb 1.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2k0f h LEU 65 CO -0.48 0.50 -0.22 0.74 0.09 0.00 0.00 178.44 179.07 2k0f h THR 66 N 0.31 0.90 -0.15 0.22 2.02 -1.29 0.62 112.91 115.53 2k0f h THR 66 Ca 0.06 -0.84 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 2k0f h THR 66 Cb 0.45 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 2k0f h THR 66 CO 0.03 0.22 -0.11 0.24 0.37 0.00 0.00 175.52 176.26 2k0f h MET 67 N 0.00 0.34 -0.24 6.66 2.86 -1.09 -1.64 114.93 121.82 2k0f h MET 67 Ca -0.00 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 2k0f h MET 67 Cb 0.47 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2k0f h MET 67 CO 0.03 0.70 -0.02 0.52 1.06 0.00 0.00 176.91 179.19 2k0f h MET 68 N -0.01 0.44 0.09 1.72 2.07 -1.41 -3.29 114.93 114.54 2k0f h MET 68 Ca 0.03 -0.15 0.02 0.00 -2.07 0.00 0.00 59.70 57.53 2k0f h MET 68 Cb 0.61 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.28 2k0f h MET 68 CO 0.03 0.64 -0.24 0.00 1.07 0.00 0.00 176.91 178.41 2k0f h ALA 69 N 0.78 -0.38 -2.84 6.32 0.00 -0.88 -3.44 119.26 118.83 2k0f h ALA 69 Ca 0.06 -0.03 -0.53 0.00 0.00 0.00 0.00 54.91 54.42 2k0f h ALA 69 Cb 0.46 0.38 0.11 0.00 0.00 0.00 0.00 17.79 18.74 2k0f h ALA 69 CO 0.02 -0.76 0.49 -0.98 0.00 0.00 0.00 179.25 178.02 2k0f s ARG 70 N -6.08 3.10 0.34 0.00 1.70 -0.62 -5.07 118.95 112.33 2k0f s ARG 70 Ca -0.15 1.88 0.07 0.00 -0.47 0.00 0.00 55.73 57.06 2k0f s ARG 70 Cb 0.08 -2.04 -0.07 0.00 -0.57 0.00 0.00 34.95 32.36 2k0f s ARG 70 CO 0.65 -1.12 -0.04 0.15 -1.08 0.00 0.00 175.30 173.86 2k0f s LYS 71 N -3.19 1.76 0.44 3.89 1.02 -1.26 -4.92 119.74 117.47 2k0f s LYS 71 Ca 0.75 -1.93 -0.01 0.00 0.02 0.00 0.00 55.97 54.79 2k0f s LYS 71 Cb -0.32 -1.44 -0.02 0.00 -0.52 0.00 0.00 37.83 35.53 2k0f s LYS 71 CO 0.35 0.03 0.68 -1.64 -0.92 0.00 0.00 175.35 173.85 2k0f s MET 72 N -3.70 3.29 0.66 1.68 -1.94 -1.26 -5.10 119.30 112.94 2k0f s MET 72 Ca 0.33 -0.25 -0.17 0.00 -1.71 0.00 0.00 55.69 53.89 2k0f s MET 72 Cb 0.05 -2.53 0.00 0.00 2.01 0.00 0.00 34.83 34.37 2k0f s MET 72 CO 0.15 -0.16 1.25 -1.59 -0.01 0.00 0.00 175.02 174.67 2k0f s LYS 73 N -4.56 2.49 0.18 2.03 -2.85 -1.26 -4.81 119.74 110.97 2k0f s LYS 73 Ca 0.46 1.94 -0.13 0.00 -1.00 0.00 0.00 55.97 57.23 2k0f s LYS 73 Cb -0.10 -1.85 0.09 0.00 -2.06 0.00 0.00 37.83 33.91 2k0f s LYS 73 CO 0.39 -1.61 1.85 -0.44 0.10 0.00 0.00 175.35 175.64 2k0f h ASP 74 N 0.35 0.69 -0.89 0.03 3.32 -1.99 -2.10 116.42 115.84 2k0f h ASP 74 Ca -0.50 -0.02 0.24 0.00 0.02 0.00 0.00 57.03 56.77 2k0f h ASP 74 Cb 1.32 -0.17 -0.15 0.00 0.22 0.00 0.00 39.33 40.54 2k0f h ASP 74 CO 0.52 0.51 0.16 0.74 -1.72 0.00 0.00 179.24 179.45 2k0f h THR 75 N 0.81 0.24 0.00 0.35 2.02 -2.02 -0.09 112.91 114.21 2k0f h THR 75 Ca 0.22 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.30 2k0f h THR 75 Cb -0.08 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 2k0f h THR 75 CO -0.05 0.02 -0.75 0.44 0.37 0.00 0.00 175.52 175.56 2k0f h ASP 76 N 0.13 0.00 1.33 4.18 5.19 -1.77 -3.35 116.42 122.12 2k0f h ASP 76 Ca 0.55 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.87 2k0f h ASP 76 Cb 1.12 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 2k0f h ASP 76 CO -0.72 0.19 -0.44 0.28 -3.12 0.00 0.00 179.24 175.43 2k0f h SER 77 N 0.00 0.00 -0.57 6.45 0.02 -0.53 -2.13 113.55 116.79 2k0f h SER 77 Ca -0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2k0f h SER 77 Cb 1.18 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 2k0f h SER 77 CO 0.02 0.44 0.29 -0.08 -1.14 0.00 0.00 176.83 176.36 2k0f h GLU 78 N 0.00 0.81 -0.66 3.45 4.81 -1.59 -3.19 114.58 118.21 2k0f h GLU 78 Ca -0.00 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 2k0f h GLU 78 Cb 1.22 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 2k0f h GLU 78 CO 0.06 0.65 0.21 0.93 -0.73 0.00 0.00 179.01 180.13 2k0f h GLU 79 N 0.77 1.01 -0.58 1.92 5.08 -1.57 -3.01 114.58 118.20 2k0f h GLU 79 Ca 0.20 -0.20 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 79 Cb 0.09 -0.16 -0.11 0.00 0.50 0.00 0.00 28.75 29.07 2k0f h GLU 79 CO -0.03 0.86 -0.21 0.93 -1.00 0.00 0.00 179.01 179.57 2k0f h GLU 80 N 0.98 -0.06 -0.56 2.33 5.08 -1.45 -0.83 114.58 120.06 2k0f h GLU 80 Ca 0.22 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 2k0f h GLU 80 Cb 0.27 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2k0f h GLU 80 CO -0.01 -0.04 0.14 0.82 -1.00 0.00 0.00 179.01 178.92 2k0f h ILE 81 N -0.07 1.23 -0.40 3.13 1.08 -1.61 -1.63 117.51 119.25 2k0f h ILE 81 Ca 0.27 -0.81 -0.05 0.00 -0.39 0.00 0.00 64.86 63.88 2k0f h ILE 81 Cb 0.48 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 2k0f h ILE 81 CO -0.63 0.31 0.07 -0.09 -0.69 0.00 0.00 178.15 177.12 2k0f h ARG 82 N 0.83 0.66 0.00 2.37 1.12 -1.48 -2.72 114.38 115.15 2k0f h ARG 82 Ca 0.18 -0.17 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 2k0f h ARG 82 Cb 0.29 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.17 2k0f h ARG 82 CO -0.00 0.70 -0.12 0.39 -3.11 0.00 0.00 179.97 177.83 2k0f n GLU 83 N -4.53 0.25 0.08 0.20 -0.58 -0.35 -2.13 120.64 113.58 2k0f n GLU 83 Ca -0.01 0.18 -0.14 0.00 -0.42 0.00 0.00 57.16 56.77 2k0f n GLU 83 Cb 0.23 -1.77 -0.07 0.00 -0.57 0.00 0.00 31.44 29.26 2k0f n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k0f h ALA 84 N 2.54 0.29 -0.66 0.62 0.00 -1.23 -3.20 119.26 117.62 2k0f h ALA 84 Ca 0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 54.91 54.09 2k0f h ALA 84 Cb 0.73 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2k0f h ALA 84 CO 0.00 0.84 0.14 0.35 0.00 0.00 0.00 179.25 180.59 2k0f h PHE 85 N 0.19 1.11 -0.89 0.00 3.57 -1.41 -2.63 116.94 116.89 2k0f h PHE 85 Ca -0.10 -0.13 0.10 0.00 3.53 0.00 0.00 57.97 61.37 2k0f h PHE 85 Cb 1.68 -0.31 -0.06 0.00 2.79 0.00 0.00 35.95 40.04 2k0f h PHE 85 CO 0.06 0.92 0.57 0.00 -2.23 0.00 0.00 178.31 177.64 2k0f h ARG 86 N 1.01 0.84 -0.38 1.11 3.08 -1.42 -1.86 114.38 116.76 2k0f h ARG 86 Ca 0.21 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.23 2k0f h ARG 86 Cb 0.38 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 2k0f h ARG 86 CO 0.00 0.56 0.19 0.28 -1.07 0.00 0.00 179.97 179.93 2k0f h VAL 87 N 0.87 0.99 0.18 2.04 2.07 -1.53 -3.36 116.25 117.51 2k0f h VAL 87 Ca 0.41 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.79 2k0f h VAL 87 Cb 0.43 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2k0f h VAL 87 CO -0.18 0.07 -0.09 -0.26 0.02 0.00 0.00 177.57 177.13 2k0f h PHE 88 N 0.40 -0.23 -3.29 1.57 0.04 -1.45 -3.46 116.94 110.53 2k0f h PHE 88 Ca 0.16 -0.01 -0.55 0.00 2.80 0.00 0.00 57.97 60.37 2k0f h PHE 88 Cb 0.06 0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 2k0f h PHE 88 CO -0.10 -0.14 0.52 0.34 -0.60 0.00 0.00 178.31 178.33 2k0f s ASP 89 N -3.06 7.26 -0.23 2.17 2.15 -0.73 -4.72 116.67 119.51 2k0f s ASP 89 Ca -0.04 1.62 -0.14 0.00 0.43 0.00 0.00 52.55 54.42 2k0f s ASP 89 Cb 0.00 -2.56 -0.17 0.00 -0.30 0.00 0.00 42.92 39.89 2k0f s ASP 89 CO 0.11 -0.40 -0.02 1.17 -0.17 0.00 0.00 175.17 175.85 2k0f n LYS 90 N 4.64 0.61 -0.05 4.34 3.00 -1.26 -4.81 118.16 124.63 2k0f n LYS 90 Ca 0.08 0.37 -0.04 0.00 -0.00 0.00 0.00 58.31 58.73 2k0f n LYS 90 Cb 0.49 -1.62 -0.03 0.00 0.00 0.00 0.00 35.03 33.86 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2k0f h ASP 91 N -0.74 -0.02 0.00 3.14 3.04 -1.94 -3.48 116.42 116.42 2k0f h ASP 91 Ca -0.52 -0.24 0.00 0.00 -3.24 0.00 0.00 57.03 53.04 2k0f h ASP 91 Cb 1.59 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.88 2k0f h ASP 91 CO -0.24 0.60 0.00 0.61 -2.04 0.00 0.00 179.24 178.17 2k0f n GLY 92 N 1.67 -0.36 0.14 7.15 0.00 -1.26 -5.01 105.19 107.52 2k0f n GLY 92 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.97 -3.46 115.58 110.68 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 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.56 0.00 0.61 0.07 0.00 0.00 177.43 178.67 2k0f n GLY 94 N 0.90 0.64 3.38 9.14 0.00 -1.26 -5.02 105.19 112.97 2k0f n GLY 94 Ca 0.01 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 2.75 -0.36 1.61 1.51 -1.26 -4.53 117.35 115.07 2k0f s TYR 95 Ca 0.00 -0.58 -0.24 0.00 -1.01 0.00 0.00 57.07 55.24 2k0f s TYR 95 Cb 0.00 -1.78 0.01 0.00 -0.11 0.00 0.00 41.96 40.08 2k0f s TYR 95 CO 0.00 -0.15 0.82 0.42 -1.11 0.00 0.00 175.55 175.53 2k0f s ILE 96 N 0.10 4.70 0.45 2.71 1.01 -1.08 -4.90 121.20 124.19 2k0f s ILE 96 Ca -0.07 0.99 -0.03 0.00 0.00 0.00 0.00 60.65 61.54 2k0f s ILE 96 Cb -0.15 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 2k0f s ILE 96 CO 0.05 -0.44 0.73 -0.94 0.00 0.00 0.00 174.94 174.33 2k0f s SER 97 N 1.83 6.18 0.44 3.58 1.04 -1.26 -1.93 113.70 123.58 2k0f s SER 97 Ca 0.33 0.73 0.28 0.00 0.48 0.00 0.00 55.95 57.78 2k0f s SER 97 Cb -0.13 -2.09 1.36 0.00 0.10 0.00 0.00 66.02 65.26 2k0f s SER 97 CO 0.17 -0.56 1.68 0.00 0.98 0.00 0.00 173.24 175.51 2k0f h ALA 98 N 0.34 2.67 0.64 5.32 0.00 -1.97 0.14 119.26 126.40 2k0f h ALA 98 Ca -0.47 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2k0f h ALA 98 Cb 1.22 0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.15 2k0f h ALA 98 CO 0.61 -1.21 -0.31 0.00 0.00 0.00 0.00 179.25 178.34 2k0f h ALA 99 N 1.56 -0.86 0.31 0.00 0.00 -1.98 -0.12 119.26 118.17 2k0f h ALA 99 Ca 0.74 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2k0f h ALA 99 Cb 2.29 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 20.39 2k0f h ALA 99 CO -0.33 -0.92 -0.34 0.93 0.00 0.00 0.00 179.25 178.60 2k0f h GLU 100 N -0.99 -0.66 0.24 0.00 5.08 -1.73 -1.20 114.58 115.31 2k0f h GLU 100 Ca -0.09 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 100 Cb 0.70 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 2k0f h GLU 100 CO 0.14 -0.44 -0.40 1.25 -1.00 0.00 0.00 179.01 178.57 2k0f h LEU 101 N -0.68 -1.13 -0.64 1.33 5.85 -0.80 -0.54 115.31 118.70 2k0f h LEU 101 Ca -0.01 0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.95 2k0f h LEU 101 Cb 0.63 0.41 -0.10 0.00 0.37 0.00 0.00 40.66 41.96 2k0f h LEU 101 CO -0.08 -0.50 0.04 -0.09 -0.34 0.00 0.00 178.44 177.47 2k0f h ARG 102 N -0.71 0.15 -0.88 1.25 2.43 -1.00 -0.63 114.38 115.00 2k0f h ARG 102 Ca -0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2k0f h ARG 102 Cb 0.69 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 2k0f h ARG 102 CO -0.16 0.10 0.50 1.25 -1.51 0.00 0.00 179.97 180.16 2k0f h HIS 103 N 0.16 1.18 -0.18 2.20 2.76 -0.53 -1.35 115.15 119.39 2k0f h HIS 103 Ca 0.34 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.47 2k0f h HIS 103 Cb 0.55 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 2k0f h HIS 103 CO -0.34 0.80 0.04 0.28 -1.30 0.00 0.00 177.93 177.42 2k0f h VAL 104 N 1.22 1.21 -0.15 5.26 2.07 -0.68 -2.76 116.25 122.42 2k0f h VAL 104 Ca 0.31 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 2k0f h VAL 104 Cb -0.01 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2k0f h VAL 104 CO -0.05 0.21 -0.23 0.24 0.02 0.00 0.00 177.57 177.76 2k0f h MET 105 N 0.10 0.25 -0.18 1.57 2.07 -0.88 -0.20 114.93 117.67 2k0f h MET 105 Ca 0.06 -0.08 0.03 0.00 -2.07 0.00 0.00 59.70 57.64 2k0f h MET 105 Cb 0.28 -0.02 -0.06 0.00 -1.87 0.00 0.00 31.60 29.93 2k0f h MET 105 CO 0.00 0.48 -0.46 1.15 1.07 0.00 0.00 176.91 179.15 2k0f h THR 106 N 0.23 0.00 -0.20 2.22 2.02 -1.18 0.05 112.91 116.05 2k0f h THR 106 Ca 0.04 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.07 2k0f h THR 106 Cb 0.54 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2k0f h THR 106 CO 0.04 0.00 -0.50 0.78 0.37 0.00 0.00 175.52 176.21 2k0f h ASN 107 N -0.44 0.60 -0.52 4.18 2.35 -1.23 -2.51 115.58 118.01 2k0f h ASN 107 Ca 0.04 -0.30 0.10 0.00 -0.55 0.00 0.00 56.30 55.58 2k0f h ASN 107 Cb 0.55 -0.17 -0.11 0.00 0.05 0.00 0.00 38.32 38.64 2k0f h ASN 107 CO -0.40 0.99 -0.31 0.25 -1.65 0.00 0.00 177.43 176.31 2k0f h LEU 108 N 0.43 -1.07 0.00 1.61 5.85 -1.05 -3.43 115.31 117.66 2k0f h LEU 108 Ca 0.02 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2k0f h LEU 108 Cb 1.02 0.53 0.00 0.00 0.37 0.00 0.00 40.66 42.58 2k0f h LEU 108 CO 0.09 -0.30 0.00 0.61 -0.34 0.00 0.00 178.44 178.50 2k0f n GLY 109 N -1.43 -0.24 3.82 3.75 0.00 -0.68 -4.86 105.19 105.56 2k0f n GLY 109 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 4.20 -1.31 1.61 0.41 -0.08 -4.98 118.70 118.55 2k0f s GLU 110 Ca 0.00 0.78 -0.08 0.00 -0.41 0.00 0.00 54.97 55.26 2k0f s GLU 110 Cb 0.00 -2.97 0.14 0.00 -1.78 0.00 0.00 34.13 29.52 2k0f s GLU 110 CO 0.00 0.46 2.12 1.63 -0.49 0.00 0.00 175.26 178.99 2k0f n LYS 111 N 0.95 4.05 -3.18 1.61 5.02 -1.26 -4.18 118.16 121.17 2k0f n LYS 111 Ca -0.04 -3.47 -0.39 0.00 -2.02 0.00 0.00 58.31 52.39 2k0f n LYS 111 Cb 0.51 -2.79 -0.05 0.00 -0.02 0.00 0.00 35.03 32.67 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k0f s LEU 112 N -1.01 4.36 0.00 -0.35 1.43 -1.26 -5.06 118.68 116.79 2k0f s LEU 112 Ca 0.46 1.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 2k0f s LEU 112 Cb 0.14 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.44 2k0f s LEU 112 CO -0.04 0.03 0.00 0.35 0.23 0.00 0.00 176.35 176.92 2k0f n THR 113 N 3.18 0.00 0.08 5.49 -2.24 -1.26 -5.02 114.28 114.51 2k0f n THR 113 Ca -0.05 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.59 2k0f n THR 113 Cb 0.51 -1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 67.62 2k0f n THR 113 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 114 N 0.00 0.49 -0.50 3.42 3.32 -2.00 -3.22 116.42 117.92 2k0f h ASP 114 Ca 0.00 -0.42 0.05 0.00 0.02 0.00 0.00 57.03 56.68 2k0f h ASP 114 Cb 0.00 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 2k0f h ASP 114 CO 0.00 1.24 0.25 -0.33 -1.72 0.00 0.00 179.24 178.68 2k0f h GLU 115 N 0.18 0.47 0.11 3.56 3.07 -1.99 -1.27 114.58 118.72 2k0f h GLU 115 Ca -0.09 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 2k0f h GLU 115 Cb 1.66 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.46 2k0f h GLU 115 CO 0.17 0.31 -0.05 0.93 -1.40 0.00 0.00 179.01 178.97 2k0f h GLU 116 N 0.49 -0.15 -0.49 2.33 5.08 -1.96 -2.65 114.58 117.23 2k0f h GLU 116 Ca 0.22 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.69 2k0f h GLU 116 Cb 0.14 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.35 2k0f h GLU 116 CO -0.16 0.19 0.03 0.28 -1.00 0.00 0.00 179.01 178.35 2k0f h VAL 117 N -0.50 0.65 -0.58 3.13 2.07 -1.53 -0.82 116.25 118.67 2k0f h VAL 117 Ca -0.02 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.56 2k0f h VAL 117 Cb 0.40 0.48 -0.11 0.00 -1.52 0.00 0.00 31.29 30.54 2k0f h VAL 117 CO 0.03 0.03 -0.28 -0.78 0.02 0.00 0.00 177.57 176.59 2k0f h ASP 118 N 0.15 -0.96 0.69 0.57 3.58 -1.27 -2.66 116.42 116.52 2k0f h ASP 118 Ca 0.25 0.21 -0.06 0.00 0.42 0.00 0.00 57.03 57.84 2k0f h ASP 118 Cb 0.36 0.51 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 2k0f h ASP 118 CO -0.38 -0.28 -0.31 -0.08 -2.88 0.00 0.00 179.24 175.31 2k0f h GLU 119 N -0.12 0.00 0.18 0.28 4.81 -1.03 -2.70 114.58 116.00 2k0f h GLU 119 Ca 0.25 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 2k0f h GLU 119 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2k0f h GLU 119 CO -0.66 0.31 -0.09 0.52 -0.73 0.00 0.00 179.01 178.36 2k0f h MET 120 N 0.00 -0.24 0.39 1.92 2.86 -0.83 -3.22 114.93 115.81 2k0f h MET 120 Ca -0.00 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2k0f h MET 120 Cb 0.74 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.46 2k0f h MET 120 CO 0.04 0.10 -0.19 0.82 1.06 0.00 0.00 176.91 178.75 2k0f h ILE 121 N -0.62 0.24 -0.62 -1.22 2.04 -1.48 -3.16 117.51 112.69 2k0f h ILE 121 Ca -0.03 -0.67 0.11 0.00 1.00 0.00 0.00 64.86 65.27 2k0f h ILE 121 Cb 0.45 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 36.84 2k0f h ILE 121 CO 0.04 0.06 0.21 -0.09 0.00 0.00 0.00 178.15 178.36 2k0f h ARG 122 N -1.06 0.35 -0.79 2.37 2.43 -1.66 0.95 114.38 116.98 2k0f h ARG 122 Ca -0.05 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.19 2k0f h ARG 122 Cb 0.49 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 2k0f h ARG 122 CO 0.09 0.23 0.52 1.49 -1.51 0.00 0.00 179.97 180.79 2k0f h GLU 123 N 0.36 0.71 0.08 0.20 4.81 -1.66 -3.28 114.58 115.80 2k0f h GLU 123 Ca 0.32 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.37 2k0f h GLU 123 Cb 0.44 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.66 2k0f h GLU 123 CO -0.35 0.47 -0.66 0.00 -0.73 0.00 0.00 179.01 177.74 2k0f h ALA 124 N 1.60 0.01 -1.50 2.92 0.00 -0.84 -3.43 119.26 118.01 2k0f h ALA 124 Ca 0.36 -0.73 -0.61 0.00 0.00 0.00 0.00 54.91 53.93 2k0f h ALA 124 Cb 0.43 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 18.28 2k0f h ALA 124 CO -0.14 0.34 0.93 0.34 0.00 0.00 0.00 179.25 180.73 2k0f s ASP 125 N -6.71 6.30 0.09 0.00 -1.08 -0.34 -4.87 116.67 110.07 2k0f s ASP 125 Ca -0.18 -1.08 -0.08 0.00 -0.52 0.00 0.00 52.55 50.69 2k0f s ASP 125 Cb 0.00 -2.49 -0.21 0.00 -1.46 0.00 0.00 42.92 38.77 2k0f s ASP 125 CO 0.75 -1.52 1.20 -0.29 0.52 0.00 0.00 175.17 175.83 2k0f h ILE 126 N 6.13 1.37 0.00 4.11 6.09 -1.87 -3.31 117.51 130.03 2k0f h ILE 126 Ca -0.12 -2.56 -0.01 0.00 -1.37 0.00 0.00 64.86 60.80 2k0f h ILE 126 Cb 1.05 2.61 -0.00 0.00 0.47 0.00 0.00 36.82 40.95 2k0f h ILE 126 CO 1.25 0.77 -0.02 -2.24 -3.07 0.00 0.00 178.15 174.83 2k0f h ASP 127 N 0.23 0.00 0.00 2.19 3.04 -1.98 -3.47 116.42 116.43 2k0f h ASP 127 Ca -0.13 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.66 2k0f h ASP 127 Cb 1.78 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.07 2k0f h ASP 127 CO 0.20 0.02 0.00 0.61 -2.04 0.00 0.00 179.24 178.03 2k0f n GLY 128 N 0.08 0.90 0.27 7.15 0.00 -1.25 -4.93 105.19 107.42 2k0f n GLY 128 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 0.27 -0.08 1.61 3.04 -1.91 -3.47 116.42 115.89 2k0f h ASP 129 Ca 0.00 -0.02 -0.03 0.00 -3.24 0.00 0.00 57.03 53.73 2k0f h ASP 129 Cb 0.00 -0.07 -0.01 0.00 -1.04 0.00 0.00 39.33 38.21 2k0f h ASP 129 CO 0.00 0.28 -0.03 0.61 -2.04 0.00 0.00 179.24 178.06 2k0f n GLY 130 N -1.26 0.53 3.52 7.15 0.00 -1.26 -5.05 105.19 108.81 2k0f n GLY 130 Ca 0.00 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.35 1.87 -0.44 1.61 -0.21 -1.26 -4.58 119.66 115.30 2k0f s GLN 131 Ca 0.00 -1.36 -0.12 0.00 0.02 0.00 0.00 55.36 53.90 2k0f s GLN 131 Cb 0.00 -2.05 0.07 0.00 1.00 0.00 0.00 33.01 32.04 2k0f s GLN 131 CO 0.00 0.42 0.31 0.08 -2.12 0.00 0.00 175.29 173.98 2k0f s VAL 132 N -1.70 4.68 0.86 1.09 1.01 -0.81 -4.95 120.40 120.58 2k0f s VAL 132 Ca 0.23 -1.21 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 2k0f s VAL 132 Cb -0.08 -3.81 0.15 0.00 0.00 0.00 0.00 36.38 32.63 2k0f s VAL 132 CO 0.13 -0.51 1.21 0.54 0.00 0.00 0.00 175.10 176.47 2k0f s ASN 133 N 2.27 3.79 0.24 3.32 2.20 -1.26 -2.64 114.94 122.86 2k0f s ASN 133 Ca 0.03 0.31 -0.06 0.00 -0.94 0.00 0.00 52.86 52.20 2k0f s ASN 133 Cb -0.23 -0.57 0.44 0.00 -2.00 0.00 0.00 41.25 38.89 2k0f s ASN 133 CO 0.04 -2.30 1.65 0.22 -2.94 0.00 0.00 177.10 173.78 2k0f h TYR 134 N -1.24 0.06 -0.10 1.54 3.20 -1.98 -2.47 116.97 115.98 2k0f h TYR 134 Ca -0.44 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.46 2k0f h TYR 134 Cb 1.27 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.63 2k0f h TYR 134 CO -0.53 -0.19 -0.05 1.49 -1.64 0.00 0.00 178.16 177.24 2k0f h GLU 135 N 0.15 0.21 -0.95 1.82 4.81 -1.99 -2.12 114.58 116.52 2k0f h GLU 135 Ca 0.41 -0.09 0.29 0.00 -0.13 0.00 0.00 59.36 59.84 2k0f h GLU 135 Cb 0.72 -0.01 -0.15 0.00 0.63 0.00 0.00 28.75 29.94 2k0f h GLU 135 CO -0.61 0.57 0.35 0.93 -0.73 0.00 0.00 179.01 179.52 2k0f h GLU 136 N -0.15 0.19 0.27 1.92 5.08 -1.88 -3.05 114.58 116.95 2k0f h GLU 136 Ca 0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 136 Cb 0.50 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2k0f h GLU 136 CO 0.01 0.12 -0.13 0.35 -1.00 0.00 0.00 179.01 178.37 2k0f h PHE 137 N 0.19 -0.33 -0.92 4.33 3.57 -0.93 -2.44 116.94 120.41 2k0f h PHE 137 Ca 0.65 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 62.29 2k0f h PHE 137 Cb 1.45 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 40.21 2k0f h PHE 137 CO -0.18 -0.00 0.53 0.28 -2.23 0.00 0.00 178.31 176.71 2k0f h VAL 138 N -0.96 0.79 -0.19 1.41 2.07 -1.50 -1.59 116.25 116.28 2k0f h VAL 138 Ca -0.04 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 2k0f h VAL 138 Cb 0.48 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2k0f h VAL 138 CO 0.06 0.14 -0.16 1.56 0.02 0.00 0.00 177.57 179.19 2k0f h GLN 139 N 0.77 0.32 -0.08 1.57 4.20 -1.61 -2.45 115.11 117.83 2k0f h GLN 139 Ca 0.49 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 59.08 2k0f h GLN 139 Cb 0.63 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2k0f h GLN 139 CO -0.33 0.48 -0.12 1.98 -0.67 0.00 0.00 178.83 180.17 2k0f h MET 140 N 0.29 0.12 0.22 1.46 4.05 -0.78 -2.80 114.93 117.50 2k0f h MET 140 Ca 0.06 -0.02 -0.33 0.00 -0.28 0.00 0.00 59.70 59.12 2k0f h MET 140 Cb 0.47 -0.02 0.03 0.00 -0.80 0.00 0.00 31.60 31.27 2k0f h MET 140 CO 0.03 0.25 -1.51 0.52 0.23 0.00 0.00 176.91 176.43 2k0f h MET 141 N 0.12 0.46 0.00 0.39 2.86 -1.22 -3.51 114.93 114.03 2k0f h MET 141 Ca 0.03 -0.79 0.00 0.00 -2.06 0.00 0.00 59.70 56.88 2k0f h MET 141 Cb 0.29 0.29 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2k0f h MET 141 CO 0.02 1.37 0.00 0.25 1.06 0.00 0.00 176.91 179.61