#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 0.74 -0.02 -2.82 3.07 -2.04 -2.29 114.58 111.22 2k0f h GLU 2 Ca 0.00 -0.04 -0.20 0.00 -0.50 0.00 0.00 59.36 58.61 2k0f h GLU 2 Cb 0.00 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.74 2k0f h GLU 2 CO 0.00 0.49 -0.86 1.49 -1.40 0.00 0.00 179.01 178.73 2k0f h GLU 3 N 0.76 0.32 0.10 2.33 4.57 -2.04 0.23 114.58 120.86 2k0f h GLU 3 Ca 0.48 -0.33 -0.24 0.00 -1.18 0.00 0.00 59.36 58.09 2k0f h GLU 3 Cb 0.70 0.09 0.02 0.00 -0.16 0.00 0.00 28.75 29.41 2k0f h GLU 3 CO -0.24 1.01 -1.01 0.37 -1.18 0.00 0.00 179.01 177.96 2k0f h GLN 4 N 0.19 0.50 -0.17 1.92 4.15 -1.86 0.90 115.11 120.75 2k0f h GLN 4 Ca -0.05 -0.68 0.05 0.00 0.77 0.00 0.00 58.65 58.74 2k0f h GLN 4 Cb 1.48 0.23 -0.06 0.00 0.21 0.00 0.00 27.48 29.34 2k0f h GLN 4 CO 0.14 1.29 -0.20 0.82 -1.93 0.00 0.00 178.83 178.95 2k0f h ILE 5 N 0.04 0.49 -0.71 2.39 1.08 -1.35 0.39 117.51 119.85 2k0f h ILE 5 Ca -0.16 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.36 2k0f h ILE 5 Cb 1.73 0.49 -0.05 0.00 -3.07 0.00 0.00 36.82 35.91 2k0f h ILE 5 CO 0.19 0.00 0.42 0.00 -0.69 0.00 0.00 178.15 178.08 2k0f h ALA 6 N 0.80 0.94 -0.15 1.87 0.00 -0.46 0.49 119.26 122.76 2k0f h ALA 6 Ca 0.11 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2k0f h ALA 6 Cb 0.40 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2k0f h ALA 6 CO -0.30 0.15 -0.16 1.49 0.00 0.00 0.00 179.25 180.42 2k0f h GLU 7 N 0.80 0.37 -0.13 0.00 4.81 0.09 -0.83 114.58 119.68 2k0f h GLU 7 Ca 0.30 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 2k0f h GLU 7 Cb 0.11 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.44 2k0f h GLU 7 CO -0.15 0.76 -0.41 0.74 -0.73 0.00 0.00 179.01 179.22 2k0f h PHE 8 N -0.01 -1.16 -0.45 0.92 0.04 -0.10 0.19 116.94 116.38 2k0f h PHE 8 Ca 0.02 0.05 -0.08 0.00 2.80 0.00 0.00 57.97 60.75 2k0f h PHE 8 Cb 0.70 0.53 -0.02 0.00 2.20 0.00 0.00 35.95 39.36 2k0f h PHE 8 CO 0.09 -0.47 -0.07 -0.22 -0.60 0.00 0.00 178.31 177.04 2k0f h LYS 9 N -0.48 0.78 -0.96 1.51 1.63 -0.02 -1.55 116.57 117.47 2k0f h LYS 9 Ca 0.08 -0.24 0.16 0.00 -0.85 0.00 0.00 60.65 59.80 2k0f h LYS 9 Cb 0.62 -0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 32.09 2k0f h LYS 9 CO -0.39 0.83 0.61 0.93 -3.45 0.00 0.00 179.45 177.98 2k0f h GLU 10 N 0.71 0.75 -0.14 1.90 5.08 -1.12 -2.30 114.58 119.47 2k0f h GLU 10 Ca 0.13 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 10 Cb 0.53 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2k0f h GLU 10 CO 0.03 0.50 -0.58 0.00 -1.00 0.00 0.00 179.01 177.95 2k0f h ALA 11 N 1.60 0.74 -0.52 3.43 0.00 -0.12 -2.79 119.26 121.59 2k0f h ALA 11 Ca 0.51 -0.53 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2k0f h ALA 11 Cb 0.76 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2k0f h ALA 11 CO -0.27 0.70 0.18 0.35 0.00 0.00 0.00 179.25 180.21 2k0f h PHE 12 N 0.33 0.31 0.00 0.00 3.04 -1.26 -3.04 116.94 116.33 2k0f h PHE 12 Ca -0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2k0f h PHE 12 Cb 1.11 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.56 2k0f h PHE 12 CO 0.04 0.09 0.00 0.77 -2.02 0.00 0.00 178.31 177.19 2k0f h SER 13 N 0.35 0.00 -0.78 0.41 0.02 -1.15 -0.71 113.55 111.69 2k0f h SER 13 Ca 0.25 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 2k0f h SER 13 Cb 0.28 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 2k0f h SER 13 CO -0.26 0.00 0.28 -0.07 -1.14 0.00 0.00 176.83 175.64 2k0f h LEU 14 N 0.00 1.10 0.04 5.07 3.38 -1.39 -3.31 115.31 120.20 2k0f h LEU 14 Ca 0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2k0f h LEU 14 Cb 0.06 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2k0f h LEU 14 CO 0.00 1.00 -0.02 -0.26 0.09 0.00 0.00 178.44 179.25 2k0f h PHE 15 N 1.15 -0.05 -1.80 1.13 0.04 -1.32 -3.42 116.94 112.66 2k0f h PHE 15 Ca 0.26 -0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.48 2k0f h PHE 15 Cb 0.26 0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.35 2k0f h PHE 15 CO 0.02 0.41 1.22 0.34 -0.60 0.00 0.00 178.31 179.70 2k0f s ASP 16 N -5.77 6.16 0.19 2.17 2.15 -0.68 -4.74 116.67 116.15 2k0f s ASP 16 Ca -0.10 -0.76 -0.05 0.00 0.43 0.00 0.00 52.55 52.08 2k0f s ASP 16 Cb -0.01 -2.56 0.10 0.00 -0.30 0.00 0.00 42.92 40.15 2k0f s ASP 16 CO 0.36 -1.81 1.53 0.11 -0.17 0.00 0.00 175.17 175.19 2k0f h LYS 17 N 10.40 0.70 0.09 4.34 1.79 -1.87 -3.04 116.57 128.98 2k0f h LYS 17 Ca -0.09 -0.38 -0.15 0.00 -2.18 0.00 0.00 60.65 57.86 2k0f h LYS 17 Cb 1.04 0.02 0.02 0.00 -1.58 0.00 0.00 32.23 31.72 2k0f h LYS 17 CO 1.32 0.99 -0.63 0.38 -1.08 0.00 0.00 179.45 180.44 2k0f h ASP 18 N 0.57 0.39 0.00 0.86 3.04 -1.96 -3.49 116.42 115.83 2k0f h ASP 18 Ca 0.04 -0.93 0.00 0.00 -3.24 0.00 0.00 57.03 52.91 2k0f h ASP 18 Cb 0.97 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 39.13 2k0f h ASP 18 CO 0.09 1.28 0.00 0.61 -2.04 0.00 0.00 179.24 179.18 2k0f n GLY 19 N 1.54 1.91 0.19 7.15 0.00 -1.15 -5.00 105.19 109.83 2k0f n GLY 19 Ca -0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 3.04 -1.95 -3.47 116.42 115.65 2k0f h ASP 20 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 20 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 20 CO 0.00 0.25 0.00 0.61 -2.04 0.00 0.00 179.24 178.06 2k0f n GLY 21 N 1.03 0.92 2.88 7.15 0.00 -1.26 -5.09 105.19 110.81 2k0f n GLY 21 Ca 0.03 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 0.37 -0.17 2.61 -4.23 -1.26 -3.99 115.64 106.96 2k0f s THR 22 Ca 0.00 -0.06 -0.17 0.00 -1.18 0.00 0.00 61.69 60.28 2k0f s THR 22 Cb 0.00 -0.41 -0.04 0.00 1.34 0.00 0.00 72.50 73.39 2k0f s THR 22 CO 0.00 0.17 0.43 -0.63 -0.54 0.00 0.00 174.62 174.05 2k0f s ILE 23 N 0.76 5.20 0.70 2.99 1.01 -1.01 -4.91 121.20 125.94 2k0f s ILE 23 Ca -0.09 0.80 -0.03 0.00 0.00 0.00 0.00 60.65 61.33 2k0f s ILE 23 Cb -0.12 -3.76 0.10 0.00 0.01 0.00 0.00 42.46 38.69 2k0f s ILE 23 CO -0.01 0.28 0.97 0.42 0.00 0.00 0.00 174.94 176.61 2k0f s THR 24 N 1.03 2.27 0.03 2.92 -4.23 -1.26 -3.66 115.64 112.75 2k0f s THR 24 Ca 0.22 -0.50 -0.23 0.00 -1.18 0.00 0.00 61.69 59.99 2k0f s THR 24 Cb -0.15 -2.77 -0.16 0.00 1.34 0.00 0.00 72.50 70.76 2k0f s THR 24 CO 0.08 0.00 1.39 0.74 -0.54 0.00 0.00 174.62 176.29 2k0f h THR 25 N -0.49 1.31 -1.00 3.99 2.02 -1.97 -1.77 112.91 115.00 2k0f h THR 25 Ca -0.40 -1.01 0.11 0.00 0.77 0.00 0.00 66.41 65.89 2k0f h THR 25 Cb 1.28 1.81 -0.13 0.00 -1.74 0.00 0.00 68.15 69.37 2k0f h THR 25 CO 0.46 0.28 -0.52 0.29 0.37 0.00 0.00 175.52 176.40 2k0f n LYS 26 N -4.77 -0.37 -0.15 6.66 4.76 -1.26 -0.39 118.16 122.65 2k0f n LYS 26 Ca -0.07 1.52 -0.04 0.00 -2.87 0.00 0.00 58.31 56.85 2k0f n LYS 26 Cb 0.25 -2.24 0.05 0.00 -1.84 0.00 0.00 35.03 31.25 2k0f n LYS 26 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2k0f h GLU 27 N 0.00 0.35 -0.46 1.97 5.08 -1.85 0.27 114.58 119.94 2k0f h GLU 27 Ca 0.23 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 2k0f h GLU 27 Cb 0.48 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2k0f h GLU 27 CO -0.96 0.23 0.23 -0.07 -1.00 0.00 0.00 179.01 177.45 2k0f h LEU 28 N 0.36 0.34 -0.85 1.33 3.38 -1.31 -3.06 115.31 115.51 2k0f h LEU 28 Ca 0.22 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 2k0f h LEU 28 Cb 0.20 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2k0f h LEU 28 CO -0.21 0.24 0.23 1.23 0.09 0.00 0.00 178.44 180.02 2k0f h GLY 29 N 0.47 1.16 0.86 0.83 0.00 -0.29 -2.12 103.07 103.97 2k0f h GLY 29 Ca 0.20 -0.67 0.05 0.00 0.00 0.00 0.00 47.33 46.91 2k0f h GLY 29 CO -0.14 0.63 0.64 -0.84 0.00 0.00 0.00 176.54 176.83 2k0f h THR 30 N 1.04 1.14 -0.03 4.70 2.02 -0.41 0.06 112.91 121.44 2k0f h THR 30 Ca 0.23 -0.42 -0.15 0.00 0.77 0.00 0.00 66.41 66.84 2k0f h THR 30 Cb 0.28 -0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.53 2k0f h THR 30 CO -0.01 0.22 -0.57 0.58 0.37 0.00 0.00 175.52 176.11 2k0f h VAL 31 N 1.22 1.40 0.21 3.16 2.07 -1.30 -2.60 116.25 120.41 2k0f h VAL 31 Ca 0.40 -1.99 0.01 0.00 0.82 0.00 0.00 66.70 65.94 2k0f h VAL 31 Cb 0.06 2.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 2k0f h VAL 31 CO -0.14 0.59 -0.38 0.24 0.02 0.00 0.00 177.57 177.90 2k0f h MET 32 N -0.03 -0.64 0.00 1.57 2.86 -1.26 -1.10 114.93 116.33 2k0f h MET 32 Ca -0.06 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2k0f h MET 32 Cb 1.26 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 33.06 2k0f h MET 32 CO 0.11 -0.43 -0.06 0.00 1.06 0.00 0.00 176.91 177.60 2k0f h ARG 33 N -0.67 0.00 -0.08 1.72 3.08 -1.06 0.12 114.38 117.50 2k0f h ARG 33 Ca 0.01 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 2k0f h ARG 33 Cb 0.66 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.71 2k0f h ARG 33 CO -0.16 0.06 -0.44 1.03 -1.07 0.00 0.00 179.97 179.38 2k0f h SER 34 N 0.00 0.52 -0.17 7.04 0.87 -1.25 -3.37 113.55 117.20 2k0f h SER 34 Ca -0.00 -0.66 -0.14 0.00 -1.23 0.00 0.00 61.79 59.76 2k0f h SER 34 Cb 0.10 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2k0f h SER 34 CO 0.01 1.10 -0.37 -0.07 -0.53 0.00 0.00 176.83 176.97 2k0f h LEU 35 N -0.02 0.73 0.00 2.23 3.38 -0.86 -3.48 115.31 117.30 2k0f h LEU 35 Ca -0.03 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2k0f h LEU 35 Cb 1.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2k0f h LEU 35 CO 0.09 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.26 2k0f n GLY 36 N -0.02 -2.02 3.74 0.83 0.00 0.40 -5.09 105.19 103.03 2k0f n GLY 36 Ca -0.01 0.66 -0.41 0.00 0.00 0.00 0.00 46.02 46.26 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 4.46 -0.25 1.61 -0.21 -1.21 -4.65 119.66 119.41 2k0f s GLN 37 Ca 0.00 1.97 -0.19 0.00 0.02 0.00 0.00 55.36 57.17 2k0f s GLN 37 Cb 0.00 -3.20 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 2k0f s GLN 37 CO 0.00 -0.13 0.55 -0.80 -2.12 0.00 0.00 175.29 172.80 2k0f s ASN 38 N 0.02 6.50 0.75 5.90 0.01 -1.26 -3.70 114.94 123.16 2k0f s ASN 38 Ca 0.53 0.61 -0.07 0.00 -0.71 0.00 0.00 52.86 53.22 2k0f s ASN 38 Cb -0.35 -2.30 0.10 0.00 0.41 0.00 0.00 41.25 39.11 2k0f s ASN 38 CO 0.40 -0.29 1.06 -2.16 -1.51 0.00 0.00 177.10 174.60 2k0f s PRO 39 N 2.24 1.84 -0.13 -0.60 0.04 -1.26 -5.05 135.00 132.07 2k0f s PRO 39 Ca 0.23 -0.42 -0.01 0.00 0.04 0.00 0.00 61.00 60.84 2k0f s PRO 39 Cb -0.16 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 2k0f s PRO 39 CO 0.09 -1.48 -0.09 0.99 0.04 0.00 0.00 177.00 176.55 2k0f s THR 40 N -3.34 3.41 0.13 1.26 2.01 -1.26 -5.01 115.64 112.84 2k0f s THR 40 Ca 0.64 -0.54 -0.08 0.00 0.31 0.00 0.00 61.69 62.02 2k0f s THR 40 Cb -0.09 -2.45 -0.15 0.00 0.01 0.00 0.00 72.50 69.83 2k0f s THR 40 CO 0.46 0.52 1.34 -0.33 -0.69 0.00 0.00 174.62 175.92 2k0f h GLU 41 N 6.52 0.60 0.64 4.92 5.08 -1.97 0.11 114.58 130.48 2k0f h GLU 41 Ca -0.30 -0.52 -0.02 0.00 -1.00 0.00 0.00 59.36 57.51 2k0f h GLU 41 Cb 1.20 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 2k0f h GLU 41 CO 0.58 1.14 -0.45 0.00 -1.00 0.00 0.00 179.01 179.28 2k0f h ALA 42 N 0.70 -1.10 -0.32 3.43 0.00 -1.99 -0.38 119.26 119.60 2k0f h ALA 42 Ca -0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2k0f h ALA 42 Cb 1.42 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 2k0f h ALA 42 CO 0.15 -1.14 0.09 0.93 0.00 0.00 0.00 179.25 179.28 2k0f h GLU 43 N -1.05 0.47 -0.12 0.00 5.08 -1.97 -2.52 114.58 114.47 2k0f h GLU 43 Ca -0.08 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2k0f h GLU 43 Cb 0.86 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2k0f h GLU 43 CO 0.05 0.43 0.03 1.25 -1.00 0.00 0.00 179.01 179.77 2k0f h LEU 44 N 0.46 0.18 -0.84 1.33 5.85 -0.61 -2.17 115.31 119.52 2k0f h LEU 44 Ca 0.11 -0.22 0.18 0.00 0.84 0.00 0.00 57.88 58.78 2k0f h LEU 44 Cb 0.17 -0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.04 2k0f h LEU 44 CO -0.01 0.36 0.37 -0.61 -0.34 0.00 0.00 178.44 178.22 2k0f h GLN 45 N -0.00 0.46 -0.90 1.25 5.75 -0.93 0.06 115.11 120.80 2k0f h GLN 45 Ca 0.04 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.55 2k0f h GLN 45 Cb 0.25 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 2k0f h GLN 45 CO 0.00 0.30 0.59 0.22 -2.65 0.00 0.00 178.83 177.29 2k0f h ASP 46 N 0.47 0.95 -0.07 -0.69 3.58 -0.98 -1.31 116.42 118.37 2k0f h ASP 46 Ca 0.49 -0.01 -0.25 0.00 0.42 0.00 0.00 57.03 57.69 2k0f h ASP 46 Cb 0.82 -0.21 0.02 0.00 1.72 0.00 0.00 39.33 41.68 2k0f h ASP 46 CO -0.45 0.64 -0.92 0.24 -2.88 0.00 0.00 179.24 175.87 2k0f h MET 47 N 1.10 0.75 -0.87 0.28 2.86 -0.70 -2.28 114.93 116.07 2k0f h MET 47 Ca 0.37 -0.71 0.11 0.00 -2.06 0.00 0.00 59.70 57.41 2k0f h MET 47 Cb 0.07 0.18 -0.06 0.00 0.06 0.00 0.00 31.60 31.84 2k0f h MET 47 CO -0.12 1.30 0.56 0.82 1.06 0.00 0.00 176.91 180.53 2k0f h ILE 48 N 0.46 0.93 0.00 -1.22 2.04 -0.93 -2.59 117.51 116.20 2k0f h ILE 48 Ca -0.09 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2k0f h ILE 48 Cb 1.56 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2k0f h ILE 48 CO 0.18 0.15 -0.10 -1.13 0.00 0.00 0.00 178.15 177.25 2k0f h ASN 49 N 0.80 0.00 -0.76 1.72 -1.24 -0.64 -2.09 115.58 113.37 2k0f h ASN 49 Ca 0.41 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.37 2k0f h ASN 49 Cb 0.50 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.52 2k0f h ASN 49 CO -0.18 0.10 0.27 -0.08 -1.29 0.00 0.00 177.43 176.25 2k0f h GLU 50 N 0.00 1.17 0.00 6.67 4.81 -1.31 -2.93 114.58 122.99 2k0f h GLU 50 Ca -0.00 -0.23 -0.13 0.00 -0.13 0.00 0.00 59.36 58.87 2k0f h GLU 50 Cb 0.80 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2k0f h GLU 50 CO 0.01 0.97 -0.60 -0.39 -0.73 0.00 0.00 179.01 178.27 2k0f h VAL 51 N 1.13 1.07 -3.18 0.32 -1.51 -1.32 -3.46 116.25 109.30 2k0f h VAL 51 Ca 0.25 -2.41 -0.53 0.00 -1.23 0.00 0.00 66.70 62.78 2k0f h VAL 51 Cb 0.26 2.46 0.01 0.00 -2.13 0.00 0.00 31.29 31.89 2k0f h VAL 51 CO -0.01 0.59 0.61 -0.62 -1.23 0.00 0.00 177.57 176.90 2k0f s ASP 52 N -6.52 7.00 -0.05 4.19 2.15 -0.84 -4.85 116.67 117.75 2k0f s ASP 52 Ca 0.03 2.14 -0.05 0.00 0.43 0.00 0.00 52.55 55.09 2k0f s ASP 52 Cb 0.09 -2.59 -0.02 0.00 -0.30 0.00 0.00 42.92 40.10 2k0f s ASP 52 CO 0.76 -0.51 -0.11 0.00 -0.17 0.00 0.00 175.17 175.14 2k0f n ALA 53 N 3.73 0.78 0.04 3.66 0.00 -1.26 -4.90 120.51 122.56 2k0f n ALA 53 Ca 0.09 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 2k0f n ALA 53 Cb 0.45 0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.30 -0.92 0.00 0.00 3.04 -1.94 -3.48 116.42 112.83 2k0f h ASP 54 Ca 0.00 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 2k0f h ASP 54 Cb 0.30 0.35 0.00 0.00 -1.04 0.00 0.00 39.33 38.94 2k0f h ASP 54 CO 0.00 -0.29 0.00 0.61 -2.04 0.00 0.00 179.24 177.52 2k0f n GLY 55 N -1.26 0.38 0.00 7.15 0.00 -1.26 -5.05 105.19 105.15 2k0f n GLY 55 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 4.20 0.00 1.61 0.23 -1.26 -5.03 115.26 115.01 2k0f n ASN 56 Ca 0.00 -0.07 0.00 0.00 -0.53 0.00 0.00 54.58 53.98 2k0f n ASN 56 Cb 0.00 0.97 0.00 0.00 -2.08 0.00 0.00 39.78 38.67 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 2.23 0.63 2.92 4.83 0.00 -1.26 -5.04 105.19 109.51 2k0f n GLY 57 Ca 0.00 -0.72 -0.11 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 -2.00 0.03 -0.34 2.61 -4.23 -1.26 -4.74 115.64 105.71 2k0f s THR 58 Ca 0.00 -0.25 -0.29 0.00 -1.18 0.00 0.00 61.69 59.98 2k0f s THR 58 Cb 0.00 -0.11 0.02 0.00 1.34 0.00 0.00 72.50 73.75 2k0f s THR 58 CO 0.00 -0.14 1.06 -0.51 -0.54 0.00 0.00 174.62 174.49 2k0f s ILE 59 N -0.40 4.50 0.63 2.99 2.07 -1.24 -4.71 121.20 125.04 2k0f s ILE 59 Ca -0.04 1.64 -0.04 0.00 -1.41 0.00 0.00 60.65 60.79 2k0f s ILE 59 Cb -0.03 -4.42 0.04 0.00 0.13 0.00 0.00 42.46 38.19 2k0f s ILE 59 CO -0.00 -0.52 0.92 -1.81 -1.91 0.00 0.00 174.94 171.61 2k0f s ASP 60 N 1.74 5.12 0.16 4.50 1.11 -1.26 -2.39 116.67 125.65 2k0f s ASP 60 Ca 0.45 0.37 -0.17 0.00 0.18 0.00 0.00 52.55 53.38 2k0f s ASP 60 Cb -0.12 -1.17 0.09 0.00 1.07 0.00 0.00 42.92 42.79 2k0f s ASP 60 CO 0.17 -1.34 1.70 0.15 1.18 0.00 0.00 175.17 177.02 2k0f h PHE 61 N -0.30 -0.03 0.00 4.23 3.57 -1.96 0.74 116.94 123.19 2k0f h PHE 61 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2k0f h PHE 61 Cb 1.30 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.11 2k0f h PHE 61 CO 0.37 -0.07 0.00 -1.35 -2.23 0.00 0.00 178.31 175.03 2k0f h PRO 62 N 0.09 0.00 0.12 6.41 0.11 -1.96 0.12 132.00 136.89 2k0f h PRO 62 Ca 0.18 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 66.00 2k0f h PRO 62 Cb 0.25 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.39 2k0f h PRO 62 CO -0.31 0.00 -1.24 0.93 -0.21 0.00 0.00 178.00 177.18 2k0f h GLU 63 N 0.00 0.57 0.09 1.05 5.08 -1.77 -2.00 114.58 117.61 2k0f h GLU 63 Ca 0.00 -0.77 0.02 0.00 -1.00 0.00 0.00 59.36 57.61 2k0f h GLU 63 Cb 0.55 0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 2k0f h GLU 63 CO 0.00 1.34 -0.26 0.35 -1.00 0.00 0.00 179.01 179.45 2k0f h PHE 64 N 0.25 -0.69 -0.39 4.33 3.57 -0.54 0.65 116.94 124.12 2k0f h PHE 64 Ca -0.18 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.37 2k0f h PHE 64 Cb 1.91 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 40.90 2k0f h PHE 64 CO 0.11 -0.36 -0.23 1.28 -2.23 0.00 0.00 178.31 176.88 2k0f n LEU 65 N -5.38 -0.41 -0.10 0.59 4.77 0.00 -2.04 117.00 114.43 2k0f n LEU 65 Ca -0.06 0.73 -0.11 0.00 -0.03 0.00 0.00 56.01 56.54 2k0f n LEU 65 Cb 0.29 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2k0f n LEU 65 CO 0.24 -0.58 0.74 0.74 -1.33 0.00 0.00 177.39 177.20 2k0f h THR 66 N 0.00 1.27 -0.44 -5.08 2.02 -0.99 0.19 112.91 109.89 2k0f h THR 66 Ca 0.06 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 2k0f h THR 66 Cb 0.16 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 2k0f h THR 66 CO -0.37 0.33 0.20 -0.03 0.37 0.00 0.00 175.52 176.03 2k0f h MET 67 N 0.35 0.62 0.08 6.66 -1.53 -0.77 -1.84 114.93 118.49 2k0f h MET 67 Ca 0.08 -0.07 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2k0f h MET 67 Cb 0.51 -0.12 0.00 0.00 -0.55 0.00 0.00 31.60 31.44 2k0f h MET 67 CO 0.02 0.49 -0.04 0.52 0.14 0.00 0.00 176.91 178.05 2k0f h MET 68 N 0.62 -0.10 0.00 0.39 2.07 -1.23 -3.39 114.93 113.29 2k0f h MET 68 Ca 0.15 0.01 -0.06 0.00 -2.07 0.00 0.00 59.70 57.74 2k0f h MET 68 Cb 0.09 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.84 2k0f h MET 68 CO -0.02 0.45 -0.27 0.00 1.07 0.00 0.00 176.91 178.15 2k0f h ALA 69 N -0.19 1.04 -2.35 6.32 0.00 -0.42 -3.44 119.26 120.21 2k0f h ALA 69 Ca -0.01 -0.24 -0.54 0.00 0.00 0.00 0.00 54.91 54.12 2k0f h ALA 69 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2k0f h ALA 69 CO 0.02 0.33 1.01 0.50 0.00 0.00 0.00 179.25 181.11 2k0f s ARG 70 N -3.69 4.20 -0.05 0.00 3.52 -0.71 -5.02 118.95 117.21 2k0f s ARG 70 Ca 0.00 2.21 -0.13 0.00 -0.13 0.00 0.00 55.73 57.68 2k0f s ARG 70 Cb 0.11 -3.78 -0.05 0.00 -1.56 0.00 0.00 34.95 29.67 2k0f s ARG 70 CO 0.65 -0.76 0.33 0.21 -0.81 0.00 0.00 175.30 174.92 2k0f s LYS 71 N 3.25 3.86 0.69 5.12 2.36 -1.26 -4.97 119.74 128.78 2k0f s LYS 71 Ca 0.72 0.25 -0.11 0.00 -2.55 0.00 0.00 55.97 54.28 2k0f s LYS 71 Cb -0.35 -3.24 0.00 0.00 -1.05 0.00 0.00 37.83 33.19 2k0f s LYS 71 CO 0.30 0.64 1.06 -1.64 1.55 0.00 0.00 175.35 177.27 2k0f s MET 72 N -0.83 2.98 0.25 4.03 -1.94 -1.26 -5.01 119.30 117.52 2k0f s MET 72 Ca 0.21 0.75 0.02 0.00 -1.71 0.00 0.00 55.69 54.96 2k0f s MET 72 Cb -0.15 -2.01 0.31 0.00 2.01 0.00 0.00 34.83 34.99 2k0f s MET 72 CO 0.10 -1.01 1.63 1.57 -0.01 0.00 0.00 175.02 177.30 2k0f h LYS 73 N -0.65 0.41 0.00 2.03 2.10 -2.05 -3.47 116.57 114.94 2k0f h LYS 73 Ca -0.45 -0.21 -0.04 0.00 -2.00 0.00 0.00 60.65 57.96 2k0f h LYS 73 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2k0f h LYS 73 CO 0.60 0.76 -0.01 -0.25 -2.00 0.00 0.00 179.45 178.56 2k0f n ASP 74 N -4.01 0.26 -4.02 7.07 8.00 -1.26 -5.04 116.55 117.55 2k0f n ASP 74 Ca -0.02 -1.13 -0.43 0.00 0.71 0.00 0.00 54.79 53.92 2k0f n ASP 74 Cb 0.51 -0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.59 2k0f n ASP 74 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2k0f n THR 75 N -1.06 4.96 -1.18 -3.53 -1.04 -1.26 -4.79 114.28 106.38 2k0f n THR 75 Ca 0.01 -5.43 -0.12 0.00 -2.04 0.00 0.00 64.05 56.48 2k0f n THR 75 Cb 0.05 -2.22 0.24 0.00 -1.82 0.00 0.00 70.33 66.58 2k0f n THR 75 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2k0f n ASP 76 N 2.31 3.98 -0.15 8.00 8.00 -1.26 -4.66 116.55 132.77 2k0f n ASP 76 Ca 0.30 -3.46 -0.08 0.00 0.71 0.00 0.00 54.79 52.26 2k0f n ASP 76 Cb 0.35 -0.76 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 2k0f n ASP 76 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2k0f h SER 77 N 1.70 -1.31 1.10 -2.24 0.02 -2.01 -1.80 113.55 109.01 2k0f h SER 77 Ca 0.39 0.22 -0.14 0.00 -0.84 0.00 0.00 61.79 61.42 2k0f h SER 77 Cb 2.40 0.60 -0.02 0.00 0.14 0.00 0.00 62.40 65.52 2k0f h SER 77 CO 0.81 -0.34 -0.95 -0.08 -1.14 0.00 0.00 176.83 175.12 2k0f h GLU 78 N -0.26 0.00 -0.16 3.45 4.81 -2.01 -3.35 114.58 117.06 2k0f h GLU 78 Ca 0.17 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 78 Cb 0.56 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2k0f h GLU 78 CO -0.61 0.45 -0.50 0.93 -0.73 0.00 0.00 179.01 178.56 2k0f h GLU 79 N 0.00 0.43 -0.77 1.92 4.39 -1.81 0.24 114.58 118.98 2k0f h GLU 79 Ca -0.08 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 2k0f h GLU 79 Cb 1.51 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.14 2k0f h GLU 79 CO 0.06 0.83 0.43 1.49 -1.16 0.00 0.00 179.01 180.67 2k0f h GLU 80 N 0.34 1.07 -0.07 2.33 4.81 -1.47 -1.20 114.58 120.40 2k0f h GLU 80 Ca 0.02 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 80 Cb 0.99 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 2k0f h GLU 80 CO 0.09 0.79 0.03 0.82 -0.73 0.00 0.00 179.01 180.00 2k0f h ILE 81 N 1.07 1.14 -0.31 2.32 2.04 -1.48 -3.14 117.51 119.14 2k0f h ILE 81 Ca 0.27 -0.41 -0.15 0.00 1.00 0.00 0.00 64.86 65.57 2k0f h ILE 81 Cb 0.02 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2k0f h ILE 81 CO -0.05 0.12 -0.42 -0.09 0.00 0.00 0.00 178.15 177.71 2k0f h ARG 82 N -0.05 0.78 -0.49 2.37 2.43 -0.51 0.14 114.38 119.05 2k0f h ARG 82 Ca 0.02 -0.42 -0.02 0.00 -0.81 0.00 0.00 59.98 58.75 2k0f h ARG 82 Cb 0.16 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2k0f h ARG 82 CO -0.00 1.05 0.21 0.93 -1.51 0.00 0.00 179.97 180.65 2k0f h GLU 83 N 0.63 0.72 -0.99 0.20 4.39 -1.36 0.11 114.58 118.29 2k0f h GLU 83 Ca 0.05 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.64 2k0f h GLU 83 Cb 0.98 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.46 2k0f h GLU 83 CO 0.09 0.62 0.65 0.00 -1.16 0.00 0.00 179.01 179.22 2k0f h ALA 84 N 1.06 1.29 -0.98 3.43 0.00 -1.43 -2.58 119.26 120.05 2k0f h ALA 84 Ca 0.17 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2k0f h ALA 84 Cb 0.16 -0.40 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 2k0f h ALA 84 CO -0.02 0.66 0.64 0.35 0.00 0.00 0.00 179.25 180.88 2k0f h PHE 85 N 1.34 1.25 -0.13 0.00 3.04 -0.32 -2.34 116.94 119.77 2k0f h PHE 85 Ca 0.36 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.32 2k0f h PHE 85 Cb -0.15 -0.42 -0.01 0.00 2.56 0.00 0.00 35.95 37.93 2k0f h PHE 85 CO 0.00 0.80 0.05 0.00 -2.02 0.00 0.00 178.31 177.14 2k0f h ARG 86 N 1.34 0.18 -0.20 1.11 3.08 -0.37 -0.48 114.38 119.04 2k0f h ARG 86 Ca 0.36 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.33 2k0f h ARG 86 Cb -0.13 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 2k0f h ARG 86 CO -0.07 0.16 -0.14 0.28 -1.07 0.00 0.00 179.97 179.12 2k0f h VAL 87 N 0.18 1.32 0.19 2.04 2.07 -1.33 -3.34 116.25 117.38 2k0f h VAL 87 Ca 0.05 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 2k0f h VAL 87 Cb 0.04 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2k0f h VAL 87 CO -0.01 0.38 -0.09 -0.26 0.02 0.00 0.00 177.57 177.61 2k0f h PHE 88 N 0.13 -0.23 -3.00 1.57 0.04 -1.36 -3.43 116.94 110.65 2k0f h PHE 88 Ca 0.04 -0.01 -0.57 0.00 2.80 0.00 0.00 57.97 60.24 2k0f h PHE 88 Cb 0.65 0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.84 2k0f h PHE 88 CO 0.07 0.15 1.04 0.34 -0.60 0.00 0.00 178.31 179.31 2k0f s ASP 89 N -5.33 6.52 0.11 2.17 2.15 -0.22 -4.67 116.67 117.42 2k0f s ASP 89 Ca -0.14 1.34 -0.09 0.00 0.43 0.00 0.00 52.55 54.08 2k0f s ASP 89 Cb 0.02 -2.54 -0.13 0.00 -0.30 0.00 0.00 42.92 39.98 2k0f s ASP 89 CO 0.56 -1.18 1.29 0.50 -0.17 0.00 0.00 175.17 176.18 2k0f h LYS 90 N 9.99 0.61 0.00 4.34 3.64 -1.86 -3.39 116.57 129.90 2k0f h LYS 90 Ca -0.29 -0.58 0.00 0.00 -1.27 0.00 0.00 60.65 58.51 2k0f h LYS 90 Cb 1.12 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2k0f h LYS 90 CO 1.02 1.19 0.00 -0.40 -2.27 0.00 0.00 179.45 179.00 2k0f n ASP 91 N -3.85 0.00 0.00 4.20 5.68 -1.26 -5.06 116.55 116.26 2k0f n ASP 91 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 2k0f n ASP 91 Cb 0.80 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.78 2k0f n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 92 N 2.59 0.00 0.02 6.12 0.00 -1.26 -5.06 105.19 107.60 2k0f n GLY 92 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.58 0.00 1.61 6.94 -1.26 -4.97 115.26 118.16 2k0f n ASN 93 Ca 0.00 -0.33 0.00 0.00 -0.02 0.00 0.00 54.58 54.23 2k0f n ASN 93 Cb 0.00 1.06 0.00 0.00 -2.36 0.00 0.00 39.78 38.48 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.37 0.81 2.91 4.83 0.00 -1.26 -5.05 105.19 108.80 2k0f n GLY 94 Ca 0.01 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 1.58 -0.25 1.61 1.51 -1.26 -2.37 117.35 116.18 2k0f s TYR 95 Ca 0.00 -0.84 -0.21 0.00 -1.01 0.00 0.00 57.07 55.00 2k0f s TYR 95 Cb 0.00 -1.28 -0.02 0.00 -0.11 0.00 0.00 41.96 40.56 2k0f s TYR 95 CO 0.00 -0.55 0.68 0.42 -1.11 0.00 0.00 175.55 174.99 2k0f s ILE 96 N 1.68 4.95 0.42 2.71 1.01 0.33 -4.85 121.20 127.44 2k0f s ILE 96 Ca 0.04 1.25 0.08 0.00 0.00 0.00 0.00 60.65 62.02 2k0f s ILE 96 Cb -0.13 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 2k0f s ILE 96 CO -0.08 0.01 0.41 -0.94 0.00 0.00 0.00 174.94 174.33 2k0f s SER 97 N 1.42 5.13 0.19 3.58 1.04 -1.26 -1.00 113.70 122.80 2k0f s SER 97 Ca 0.29 -0.71 -0.18 0.00 0.48 0.00 0.00 55.95 55.83 2k0f s SER 97 Cb -0.15 -0.57 0.17 0.00 0.10 0.00 0.00 66.02 65.57 2k0f s SER 97 CO 0.08 -0.68 1.61 0.00 0.98 0.00 0.00 173.24 175.23 2k0f h ALA 98 N 0.97 0.16 -0.49 5.32 0.00 -1.92 -0.39 119.26 122.90 2k0f h ALA 98 Ca -0.41 0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2k0f h ALA 98 Cb 1.27 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 19.64 2k0f h ALA 98 CO 0.56 -0.56 0.27 0.00 0.00 0.00 0.00 179.25 179.51 2k0f h ALA 99 N 1.26 0.63 -0.36 0.00 0.00 -1.98 -1.45 119.26 117.36 2k0f h ALA 99 Ca 0.26 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2k0f h ALA 99 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k0f h ALA 99 CO -0.64 -0.07 -0.12 0.93 0.00 0.00 0.00 179.25 179.35 2k0f h GLU 100 N 0.52 0.72 -0.59 0.00 5.08 -1.62 -1.95 114.58 116.74 2k0f h GLU 100 Ca 0.21 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 2k0f h GLU 100 Cb 0.09 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2k0f h GLU 100 CO -0.13 0.89 -0.03 1.25 -1.00 0.00 0.00 179.01 179.99 2k0f h LEU 101 N 0.51 1.05 -0.85 1.33 5.85 -1.08 -2.96 115.31 119.16 2k0f h LEU 101 Ca 0.09 -0.32 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 2k0f h LEU 101 Cb 0.65 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2k0f h LEU 101 CO 0.04 1.11 -0.38 -0.09 -0.34 0.00 0.00 178.44 178.79 2k0f h ARG 102 N 0.96 0.39 -0.09 1.25 2.43 -1.13 -1.99 114.38 116.20 2k0f h ARG 102 Ca 0.16 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2k0f h ARG 102 Cb 0.60 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2k0f h ARG 102 CO 0.04 0.72 0.03 1.25 -1.51 0.00 0.00 179.97 180.49 2k0f h HIS 103 N 0.33 0.15 -0.47 2.20 2.76 -1.35 -2.63 115.15 116.14 2k0f h HIS 103 Ca 0.03 -0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.07 2k0f h HIS 103 Cb 0.82 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 2k0f h HIS 103 CO 0.02 0.29 -0.18 0.28 -1.30 0.00 0.00 177.93 177.05 2k0f h VAL 104 N -0.04 1.27 -0.45 5.26 2.07 -1.47 -2.52 116.25 120.37 2k0f h VAL 104 Ca 0.03 -1.33 0.09 0.00 0.82 0.00 0.00 66.70 66.31 2k0f h VAL 104 Cb 0.21 1.14 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 2k0f h VAL 104 CO -0.00 0.46 -0.07 0.24 0.02 0.00 0.00 177.57 178.22 2k0f h MET 105 N 0.80 0.04 -0.48 1.57 2.07 -1.41 0.83 114.93 118.35 2k0f h MET 105 Ca 0.11 -0.00 0.09 0.00 -2.07 0.00 0.00 59.70 57.83 2k0f h MET 105 Cb 0.75 -0.01 -0.10 0.00 -1.87 0.00 0.00 31.60 30.37 2k0f h MET 105 CO 0.06 0.03 -0.29 1.15 1.07 0.00 0.00 176.91 178.92 2k0f h THR 106 N 0.04 0.25 -0.40 2.22 2.02 -1.39 0.21 112.91 115.86 2k0f h THR 106 Ca 0.22 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.44 2k0f h THR 106 Cb 0.34 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 2k0f h THR 106 CO -0.43 0.00 0.17 0.78 0.37 0.00 0.00 175.52 176.41 2k0f h ASN 107 N -0.18 0.23 0.05 4.18 -0.26 -0.72 -3.09 115.58 115.79 2k0f h ASN 107 Ca 0.21 0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.98 2k0f h ASN 107 Cb 0.52 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.78 2k0f h ASN 107 CO -0.58 0.17 -0.03 -0.07 -1.06 0.00 0.00 177.43 175.86 2k0f h LEU 108 N 0.36 -0.06 0.00 1.61 3.38 -0.74 -3.44 115.31 116.42 2k0f h LEU 108 Ca 0.18 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2k0f h LEU 108 Cb 0.12 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2k0f h LEU 108 CO -0.15 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2k0f n GLY 109 N -0.14 0.00 3.22 0.83 0.00 0.02 -4.57 105.19 104.54 2k0f n GLY 109 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 3.07 -0.50 1.61 0.41 0.52 -4.97 118.70 118.84 2k0f s GLU 110 Ca 0.00 -0.81 -0.18 0.00 -0.41 0.00 0.00 54.97 53.57 2k0f s GLU 110 Cb 0.00 -2.88 0.07 0.00 -1.78 0.00 0.00 34.13 29.54 2k0f s GLU 110 CO 0.00 -0.27 0.54 0.21 -0.49 0.00 0.00 175.26 175.25 2k0f s LYS 111 N 1.37 3.06 0.20 1.61 2.47 -1.26 -3.57 119.74 123.63 2k0f s LYS 111 Ca 0.03 -1.12 -0.06 0.00 -1.56 0.00 0.00 55.97 53.26 2k0f s LYS 111 Cb -0.15 -4.13 -0.06 0.00 -1.46 0.00 0.00 37.83 32.03 2k0f s LYS 111 CO -0.06 -1.18 0.47 -0.51 0.16 0.00 0.00 175.35 174.22 2k0f s LEU 112 N 2.24 4.19 0.63 5.43 1.02 -1.26 -5.12 118.68 125.81 2k0f s LEU 112 Ca 0.10 0.71 -0.03 0.00 0.02 0.00 0.00 54.13 54.94 2k0f s LEU 112 Cb -0.22 -3.47 0.05 0.00 0.02 0.00 0.00 46.19 42.57 2k0f s LEU 112 CO 0.09 -0.04 0.89 0.42 0.02 0.00 0.00 176.35 177.73 2k0f s THR 113 N -1.81 2.50 -0.62 5.49 -4.23 -1.26 -5.00 115.64 110.70 2k0f s THR 113 Ca 0.44 -0.46 0.25 0.00 -1.18 0.00 0.00 61.69 60.74 2k0f s THR 113 Cb -0.11 -3.01 0.30 0.00 1.34 0.00 0.00 72.50 71.01 2k0f s THR 113 CO 0.25 -0.01 1.74 0.44 -0.54 0.00 0.00 174.62 176.50 2k0f h ASP 114 N -0.26 0.00 0.44 3.99 5.19 -2.01 -1.90 116.42 121.87 2k0f h ASP 114 Ca -0.43 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.96 2k0f h ASP 114 Cb 1.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.82 2k0f h ASP 114 CO 0.56 0.00 -0.21 -0.33 -3.12 0.00 0.00 179.24 176.14 2k0f h GLU 115 N 0.00 -0.57 -0.34 3.56 5.08 -2.00 -3.27 114.58 117.04 2k0f h GLU 115 Ca 0.00 0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 115 Cb 0.75 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2k0f h GLU 115 CO 0.00 -0.36 -0.01 0.93 -1.00 0.00 0.00 179.01 178.57 2k0f h GLU 116 N -0.64 0.60 -0.66 2.33 5.08 -1.74 -2.75 114.58 116.81 2k0f h GLU 116 Ca -0.06 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2k0f h GLU 116 Cb 0.48 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 116 CO 0.10 0.73 0.36 -0.24 -1.00 0.00 0.00 179.01 178.96 2k0f h VAL 117 N 0.40 1.21 0.13 3.13 3.04 -1.66 -2.83 116.25 119.67 2k0f h VAL 117 Ca 0.09 -0.52 0.02 0.00 -1.01 0.00 0.00 66.70 65.28 2k0f h VAL 117 Cb 0.47 0.36 -0.03 0.00 -2.01 0.00 0.00 31.29 30.07 2k0f h VAL 117 CO 0.02 0.23 -0.27 -0.78 -1.01 0.00 0.00 177.57 175.76 2k0f h ASP 118 N 0.90 -0.76 -0.70 3.17 3.58 -1.60 -2.91 116.42 118.10 2k0f h ASP 118 Ca 0.23 0.09 0.12 0.00 0.42 0.00 0.00 57.03 57.89 2k0f h ASP 118 Cb 0.04 0.29 -0.13 0.00 1.72 0.00 0.00 39.33 41.25 2k0f h ASP 118 CO -0.04 -0.36 -0.33 -0.08 -2.88 0.00 0.00 179.24 175.55 2k0f h GLU 119 N -0.48 -0.10 -0.38 0.28 4.81 -1.46 0.12 114.58 117.36 2k0f h GLU 119 Ca 0.03 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.35 2k0f h GLU 119 Cb 0.51 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.83 2k0f h GLU 119 CO -0.15 -0.07 -0.18 0.52 -0.73 0.00 0.00 179.01 178.40 2k0f h MET 120 N -0.11 -0.11 -0.35 1.92 2.86 -1.40 -0.84 114.93 116.90 2k0f h MET 120 Ca 0.27 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.84 2k0f h MET 120 Cb 0.56 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 2k0f h MET 120 CO -0.76 -0.07 -0.08 0.82 1.06 0.00 0.00 176.91 177.88 2k0f h ILE 121 N -0.11 1.28 -0.38 -1.22 1.08 -1.31 -3.01 117.51 113.84 2k0f h ILE 121 Ca 0.19 -1.14 -0.02 0.00 -0.39 0.00 0.00 64.86 63.49 2k0f h ILE 121 Cb 0.40 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.44 2k0f h ILE 121 CO -0.45 0.37 0.15 -0.09 -0.69 0.00 0.00 178.15 177.44 2k0f h ARG 122 N 0.46 0.56 -0.33 2.37 2.43 -0.28 -3.21 114.38 116.38 2k0f h ARG 122 Ca 0.09 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2k0f h ARG 122 Cb 0.59 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2k0f h ARG 122 CO 0.03 0.54 0.12 1.49 -1.51 0.00 0.00 179.97 180.65 2k0f h GLU 123 N 0.46 0.50 0.00 0.20 4.81 -1.23 -3.33 114.58 116.00 2k0f h GLU 123 Ca 0.13 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 123 Cb 0.19 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2k0f h GLU 123 CO -0.01 0.52 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 2k0f n ALA 124 N -2.29 2.32 -2.00 2.92 0.00 -1.14 -4.80 120.51 115.52 2k0f n ALA 124 Ca -0.01 -0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 2k0f n ALA 124 Cb 0.15 -1.12 0.10 0.00 0.00 0.00 0.00 19.45 18.59 2k0f n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0f s ASP 125 N -1.45 4.41 0.11 0.00 -1.08 -1.25 -4.55 116.67 112.85 2k0f s ASP 125 Ca 0.11 -0.42 0.00 0.00 -0.52 0.00 0.00 52.55 51.71 2k0f s ASP 125 Cb 0.05 0.04 0.00 0.00 -1.46 0.00 0.00 42.92 41.55 2k0f s ASP 125 CO 0.08 -1.82 0.00 -0.38 0.52 0.00 0.00 175.17 173.57 2k0f n ILE 126 N -2.78 0.23 0.04 4.11 5.41 -1.26 -4.93 119.36 120.18 2k0f n ILE 126 Ca 0.15 0.08 -0.06 0.00 1.00 0.00 0.00 62.75 63.91 2k0f n ILE 126 Cb 0.61 -0.89 -0.04 0.00 -0.71 0.00 0.00 39.64 38.61 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 0.00 -0.18 0.00 4.38 3.04 -1.97 -3.49 116.42 118.19 2k0f h ASP 127 Ca 0.00 -0.17 0.00 0.00 -3.24 0.00 0.00 57.03 53.62 2k0f h ASP 127 Cb 0.19 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.53 2k0f h ASP 127 CO 0.00 0.36 0.00 0.61 -2.04 0.00 0.00 179.24 178.17 2k0f n GLY 128 N 1.07 1.95 0.30 7.15 0.00 -1.26 -5.06 105.19 109.33 2k0f n GLY 128 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.59 0.00 1.61 2.03 -1.99 -3.48 116.42 114.00 2k0f h ASP 129 Ca 0.00 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 2k0f h ASP 129 Cb 0.00 0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 2k0f h ASP 129 CO 0.00 -0.34 0.00 0.61 -1.03 0.00 0.00 179.24 178.48 2k0f n GLY 130 N -1.08 0.13 2.97 7.15 0.00 -1.26 -5.13 105.19 107.97 2k0f n GLY 130 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 0.30 -0.37 1.61 -0.21 -1.26 -4.72 119.66 115.01 2k0f s GLN 131 Ca 0.00 -0.42 -0.10 0.00 0.02 0.00 0.00 55.36 54.86 2k0f s GLN 131 Cb 0.00 -0.10 0.03 0.00 1.00 0.00 0.00 33.01 33.94 2k0f s GLN 131 CO 0.00 0.01 0.18 0.08 -2.12 0.00 0.00 175.29 173.44 2k0f s VAL 132 N -0.86 4.35 0.78 1.09 1.01 -0.17 -4.88 120.40 121.72 2k0f s VAL 132 Ca -0.08 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 2k0f s VAL 132 Cb -0.06 -3.45 0.17 0.00 0.00 0.00 0.00 36.38 33.04 2k0f s VAL 132 CO -0.00 -0.23 1.07 -0.46 0.00 0.00 0.00 175.10 175.47 2k0f n ASN 133 N 4.95 0.79 0.04 3.32 0.23 -1.26 -0.52 115.26 122.81 2k0f n ASN 133 Ca -0.12 -1.82 -0.15 0.00 -0.53 0.00 0.00 54.58 51.96 2k0f n ASN 133 Cb 0.46 -0.75 -0.10 0.00 -2.08 0.00 0.00 39.78 37.31 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 -1.05 -1.55 -0.85 -2.53 3.20 -1.88 -0.25 116.97 112.05 2k0f h TYR 134 Ca -0.35 0.05 0.16 0.00 3.14 0.00 0.00 58.73 61.73 2k0f h TYR 134 Cb 1.13 0.68 -0.06 0.00 1.54 0.00 0.00 36.73 40.02 2k0f h TYR 134 CO 0.00 -0.56 0.56 0.93 -1.64 0.00 0.00 178.16 177.45 2k0f h GLU 135 N -0.64 0.53 -0.11 1.82 5.08 -1.96 0.03 114.58 119.34 2k0f h GLU 135 Ca 0.02 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 2k0f h GLU 135 Cb 0.71 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2k0f h GLU 135 CO -0.38 0.35 -0.69 0.93 -1.00 0.00 0.00 179.01 178.22 2k0f h GLU 136 N 0.55 0.48 -0.48 2.33 5.08 -1.64 -2.90 114.58 118.00 2k0f h GLU 136 Ca 0.43 -0.37 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 136 Cb 0.85 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2k0f h GLU 136 CO -0.18 0.99 -0.22 0.35 -1.00 0.00 0.00 179.01 178.96 2k0f h PHE 137 N 0.34 1.12 -0.06 4.33 3.04 -0.87 -0.80 116.94 124.03 2k0f h PHE 137 Ca -0.02 -0.27 0.03 0.00 3.98 0.00 0.00 57.97 61.68 2k0f h PHE 137 Cb 1.26 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 39.48 2k0f h PHE 137 CO 0.05 1.09 -0.10 0.28 -2.02 0.00 0.00 178.31 177.61 2k0f h VAL 138 N 0.84 0.72 -0.38 1.41 2.07 -1.00 -1.63 116.25 118.29 2k0f h VAL 138 Ca 0.11 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.47 2k0f h VAL 138 Cb 0.79 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2k0f h VAL 138 CO 0.07 0.00 -0.40 -0.61 0.02 0.00 0.00 177.57 176.65 2k0f h GLN 139 N -0.14 0.93 -0.71 1.57 4.15 -1.52 -3.10 115.11 116.29 2k0f h GLN 139 Ca 0.06 -0.50 0.02 0.00 0.77 0.00 0.00 58.65 59.00 2k0f h GLN 139 Cb 0.23 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.90 2k0f h GLN 139 CO -0.15 1.16 0.45 1.98 -1.93 0.00 0.00 178.83 180.34 2k0f h MET 140 N 0.75 0.87 -0.02 1.69 4.05 -0.66 -3.00 114.93 118.61 2k0f h MET 140 Ca 0.06 -0.05 -0.13 0.00 -0.28 0.00 0.00 59.70 59.29 2k0f h MET 140 Cb 0.99 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.58 2k0f h MET 140 CO 0.10 0.57 -0.61 1.98 0.23 0.00 0.00 176.91 179.18 2k0f h MET 141 N 0.89 0.07 -0.01 0.39 1.85 -1.40 -3.51 114.93 113.21 2k0f h MET 141 Ca 0.28 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.32 2k0f h MET 141 Cb -0.01 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.02 2k0f h MET 141 CO -0.10 0.66 0.00 0.25 -0.40 0.00 0.00 176.91 177.32