#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 0.23 -0.61 -0.78 4.57 -2.05 -0.69 114.58 115.24 2k0f h GLU 2 Ca 0.00 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.28 2k0f h GLU 2 Cb 0.00 -0.05 -0.12 0.00 -0.16 0.00 0.00 28.75 28.42 2k0f h GLU 2 CO 0.00 0.15 -0.32 0.93 -1.18 0.00 0.00 179.01 178.59 2k0f h GLU 3 N 0.23 -0.13 -0.00 1.92 3.07 -2.05 -1.35 114.58 116.26 2k0f h GLU 3 Ca 0.37 0.01 -0.26 0.00 -0.50 0.00 0.00 59.36 58.97 2k0f h GLU 3 Cb 0.60 0.03 0.02 0.00 -0.84 0.00 0.00 28.75 28.56 2k0f h GLU 3 CO -0.49 -0.09 -1.03 1.96 -1.40 0.00 0.00 179.01 177.97 2k0f h GLN 4 N -0.14 0.71 -0.61 2.33 4.20 -1.58 -1.42 115.11 118.60 2k0f h GLN 4 Ca 0.25 -0.75 -0.04 0.00 0.06 0.00 0.00 58.65 58.16 2k0f h GLN 4 Cb 0.55 0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.51 2k0f h GLN 4 CO -0.69 1.33 0.21 0.82 -0.67 0.00 0.00 178.83 179.83 2k0f h ILE 5 N 0.39 1.23 0.00 2.54 1.08 -1.43 -1.61 117.51 119.71 2k0f h ILE 5 Ca -0.13 -0.75 -0.11 0.00 -0.39 0.00 0.00 64.86 63.49 2k0f h ILE 5 Cb 1.68 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 35.94 2k0f h ILE 5 CO 0.20 0.29 -0.53 0.00 -0.69 0.00 0.00 178.15 177.42 2k0f h ALA 6 N 1.35 0.74 -0.28 1.87 0.00 -0.85 -0.25 119.26 121.83 2k0f h ALA 6 Ca 0.20 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2k0f h ALA 6 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2k0f h ALA 6 CO -0.01 0.66 -0.09 0.93 0.00 0.00 0.00 179.25 180.74 2k0f h GLU 7 N 0.00 0.46 -0.08 0.00 5.08 -0.33 -0.11 114.58 119.60 2k0f h GLU 7 Ca -0.01 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 2k0f h GLU 7 Cb 1.27 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.47 2k0f h GLU 7 CO 0.07 0.56 -0.49 0.74 -1.00 0.00 0.00 179.01 178.89 2k0f h PHE 8 N 0.44 0.65 -0.18 4.33 0.04 -1.15 -2.30 116.94 118.77 2k0f h PHE 8 Ca 0.09 -0.30 0.03 0.00 2.80 0.00 0.00 57.97 60.59 2k0f h PHE 8 Cb 0.43 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 2k0f h PHE 8 CO 0.01 1.08 -0.03 -0.22 -0.60 0.00 0.00 178.31 178.55 2k0f h LYS 9 N 0.04 0.02 -0.48 1.51 1.63 -0.86 0.28 116.57 118.71 2k0f h LYS 9 Ca -0.04 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 2k0f h LYS 9 Cb 1.15 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.75 2k0f h LYS 9 CO 0.10 0.01 0.21 0.93 -3.45 0.00 0.00 179.45 177.25 2k0f h GLU 10 N 0.02 0.68 -0.02 1.90 4.39 -1.09 -2.06 114.58 118.40 2k0f h GLU 10 Ca 0.08 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 2k0f h GLU 10 Cb 0.12 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2k0f h GLU 10 CO -0.17 0.55 -0.45 0.00 -1.16 0.00 0.00 179.01 177.78 2k0f h ALA 11 N 1.55 1.21 -0.36 3.43 0.00 -1.07 -2.24 119.26 121.80 2k0f h ALA 11 Ca 0.17 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.71 2k0f h ALA 11 Cb 0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2k0f h ALA 11 CO -0.02 0.58 0.06 0.35 0.00 0.00 0.00 179.25 180.22 2k0f h PHE 12 N 0.04 0.10 0.00 0.00 3.57 -0.39 -3.03 116.94 117.23 2k0f h PHE 12 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2k0f h PHE 12 Cb 0.82 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2k0f h PHE 12 CO 0.00 0.01 0.00 0.43 -2.23 0.00 0.00 178.31 176.52 2k0f n SER 13 N -5.11 0.56 0.23 0.41 7.64 -0.78 -1.77 113.62 114.81 2k0f n SER 13 Ca 0.01 0.68 0.09 0.00 1.01 0.00 0.00 58.87 60.67 2k0f n SER 13 Cb 0.16 -0.78 0.57 0.00 -1.01 0.00 0.00 64.21 63.15 2k0f n SER 13 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k0f h LEU 14 N 0.00 0.00 0.00 -3.43 3.38 -1.28 -3.37 115.31 110.62 2k0f h LEU 14 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 2k0f h LEU 14 Cb 0.21 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2k0f h LEU 14 CO 0.00 0.21 -2.08 0.49 0.09 0.00 0.00 178.44 177.15 2k0f n PHE 15 N -3.76 0.22 -2.78 1.13 3.72 -0.73 -4.79 117.46 110.47 2k0f n PHE 15 Ca -0.02 0.09 -0.43 0.00 -0.05 0.00 0.00 57.45 57.05 2k0f n PHE 15 Cb 0.31 -0.95 -0.02 0.00 -0.94 0.00 0.00 39.48 37.88 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 -7.15 6.68 -0.00 4.37 2.15 -0.86 -4.82 116.67 117.04 2k0f s ASP 16 Ca -0.35 -2.05 0.12 0.00 0.43 0.00 0.00 52.55 50.70 2k0f s ASP 16 Cb 0.12 -2.47 0.34 0.00 -0.30 0.00 0.00 42.92 40.60 2k0f s ASP 16 CO 0.49 -1.16 1.28 0.29 -0.17 0.00 0.00 175.17 175.90 2k0f n LYS 17 N 7.31 1.88 -0.10 4.34 5.02 -1.26 -3.87 118.16 131.49 2k0f n LYS 17 Ca 0.31 -1.37 -0.15 0.00 -2.02 0.00 0.00 58.31 55.08 2k0f n LYS 17 Cb 0.48 -1.30 -0.07 0.00 -0.02 0.00 0.00 35.03 34.13 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k0f n ASP 18 N 0.61 1.86 0.00 4.39 8.00 -1.26 -5.04 116.55 125.11 2k0f n ASP 18 Ca 0.13 0.48 0.00 0.00 0.71 0.00 0.00 54.79 56.11 2k0f n ASP 18 Cb 0.32 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.48 0.93 0.03 0.44 0.00 -1.25 -5.02 105.19 101.80 2k0f n GLY 19 Ca -0.24 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.32 0.00 1.61 5.68 -1.26 -5.00 116.55 117.90 2k0f n ASP 20 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k0f n ASP 20 Cb 0.00 1.72 0.00 0.00 -1.14 0.00 0.00 41.12 41.70 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 1.45 0.95 2.78 6.12 0.00 -1.26 -5.07 105.19 110.16 2k0f n GLY 21 Ca -0.10 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.25 -0.32 2.61 -4.23 -1.26 -4.33 115.64 105.87 2k0f s THR 22 Ca 0.00 0.19 -0.29 0.00 -1.18 0.00 0.00 61.69 60.41 2k0f s THR 22 Cb 0.00 -0.41 0.01 0.00 1.34 0.00 0.00 72.50 73.44 2k0f s THR 22 CO 0.00 0.02 1.16 -0.63 -0.54 0.00 0.00 174.62 174.63 2k0f s ILE 23 N 2.28 4.37 0.67 2.99 1.01 -1.04 -4.91 121.20 126.56 2k0f s ILE 23 Ca 0.04 1.56 -0.08 0.00 0.00 0.00 0.00 60.65 62.17 2k0f s ILE 23 Cb -0.13 -4.33 0.03 0.00 0.01 0.00 0.00 42.46 38.04 2k0f s ILE 23 CO -0.07 -0.49 1.01 0.42 0.00 0.00 0.00 174.94 175.80 2k0f s THR 24 N 3.92 3.14 0.42 2.92 -4.23 -1.26 -2.40 115.64 118.14 2k0f s THR 24 Ca 0.49 0.07 0.08 0.00 -1.18 0.00 0.00 61.69 61.16 2k0f s THR 24 Cb -0.14 -3.31 0.27 0.00 1.34 0.00 0.00 72.50 70.66 2k0f s THR 24 CO 0.19 -0.36 2.05 0.71 -0.54 0.00 0.00 174.62 176.67 2k0f h THR 25 N -0.49 1.07 -0.00 3.99 1.35 -1.97 -0.28 112.91 116.59 2k0f h THR 25 Ca -0.45 -0.18 -0.16 0.00 -0.55 0.00 0.00 66.41 65.07 2k0f h THR 25 Cb 1.28 0.51 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 2k0f h THR 25 CO 0.62 0.09 -0.75 0.50 -0.25 0.00 0.00 175.52 175.73 2k0f h LYS 26 N 0.52 0.01 -0.23 4.72 3.64 -1.97 0.46 116.57 123.72 2k0f h LYS 26 Ca 0.16 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.37 2k0f h LYS 26 Cb 0.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2k0f h LYS 26 CO -0.04 0.76 -0.50 0.93 -2.27 0.00 0.00 179.45 178.33 2k0f h GLU 27 N 0.01 0.62 0.22 1.90 5.08 -1.81 -2.14 114.58 118.46 2k0f h GLU 27 Ca -0.01 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 2k0f h GLU 27 Cb 1.33 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2k0f h GLU 27 CO 0.10 0.98 -0.11 1.25 -1.00 0.00 0.00 179.01 180.23 2k0f h LEU 28 N 0.49 -0.25 -1.37 1.33 5.85 -0.91 -3.22 115.31 117.23 2k0f h LEU 28 Ca 0.02 -0.27 0.23 0.00 0.84 0.00 0.00 57.88 58.70 2k0f h LEU 28 Cb 1.04 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.05 2k0f h LEU 28 CO 0.10 0.19 0.63 1.23 -0.34 0.00 0.00 178.44 180.25 2k0f h GLY 29 N -0.76 1.16 0.58 3.75 0.00 -0.02 -1.24 103.07 106.54 2k0f h GLY 29 Ca -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2k0f h GLY 29 CO 0.05 -0.07 -0.01 -0.84 0.00 0.00 0.00 176.54 175.67 2k0f h THR 30 N 0.46 1.36 0.14 4.70 2.02 -1.45 -2.87 112.91 117.26 2k0f h THR 30 Ca 0.54 -1.08 -0.27 0.00 0.77 0.00 0.00 66.41 66.37 2k0f h THR 30 Cb 1.28 2.04 0.03 0.00 -1.74 0.00 0.00 68.15 69.76 2k0f h THR 30 CO -0.26 0.29 -1.16 0.58 0.37 0.00 0.00 175.52 175.34 2k0f h VAL 31 N -0.39 1.33 -0.51 3.16 2.07 -1.42 -2.18 116.25 118.31 2k0f h VAL 31 Ca 0.00 -2.48 0.10 0.00 0.82 0.00 0.00 66.70 65.14 2k0f h VAL 31 Cb 0.47 2.84 -0.08 0.00 -1.52 0.00 0.00 31.29 33.00 2k0f h VAL 31 CO 0.00 0.74 0.04 0.24 0.02 0.00 0.00 177.57 178.62 2k0f h MET 32 N 0.11 0.16 -0.82 1.57 2.86 -1.37 0.28 114.93 117.71 2k0f h MET 32 Ca -0.18 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 2k0f h MET 32 Cb 1.86 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 33.45 2k0f h MET 32 CO 0.22 0.11 0.38 -0.09 1.06 0.00 0.00 176.91 178.59 2k0f h ARG 33 N 0.16 1.18 -0.10 1.72 2.43 -1.32 0.16 114.38 118.62 2k0f h ARG 33 Ca 0.26 -0.18 -0.17 0.00 -0.81 0.00 0.00 59.98 59.08 2k0f h ARG 33 Cb 0.38 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2k0f h ARG 33 CO -0.39 0.92 -0.65 0.77 -1.51 0.00 0.00 179.97 179.10 2k0f h SER 34 N 1.17 0.46 0.43 -3.80 0.02 -0.54 -3.31 113.55 107.99 2k0f h SER 34 Ca 0.28 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2k0f h SER 34 Cb 0.13 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2k0f h SER 34 CO -0.03 0.99 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.37 2k0f h LEU 35 N 0.29 -0.49 0.00 5.07 3.38 -0.19 -3.47 115.31 119.89 2k0f h LEU 35 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k0f h LEU 35 Cb 1.20 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2k0f h LEU 35 CO 0.11 -0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.08 2k0f n GLY 36 N 0.02 0.00 2.84 0.83 0.00 0.41 -5.09 105.19 104.20 2k0f n GLY 36 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.01 -0.38 1.61 0.74 -0.29 -4.97 119.66 116.36 2k0f s GLN 37 Ca 0.00 0.06 0.01 0.00 0.05 0.00 0.00 55.36 55.48 2k0f s GLN 37 Cb 0.00 -0.09 0.12 0.00 1.10 0.00 0.00 33.01 34.14 2k0f s GLN 37 CO 0.00 -0.06 0.19 -0.80 -0.55 0.00 0.00 175.29 174.07 2k0f s ASN 38 N 0.37 3.72 1.35 6.67 0.01 -1.26 -2.77 114.94 123.03 2k0f s ASN 38 Ca -0.03 -2.24 -0.21 0.00 -0.71 0.00 0.00 52.86 49.67 2k0f s ASN 38 Cb -0.04 -0.91 0.32 0.00 0.41 0.00 0.00 41.25 41.02 2k0f s ASN 38 CO -0.01 -0.32 0.93 -0.81 -1.51 0.00 0.00 177.10 175.37 2k0f n PRO 39 N 4.05 -3.87 -2.24 -0.60 -0.04 -1.26 -5.07 135.00 125.96 2k0f n PRO 39 Ca 0.05 -1.51 -0.27 0.00 -0.04 0.00 0.00 63.50 61.72 2k0f n PRO 39 Cb 0.37 -1.66 0.04 0.00 -0.04 0.00 0.00 33.50 32.21 2k0f n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k0f s THR 40 N -2.46 3.41 -0.16 0.52 -4.23 -1.26 -5.00 115.64 106.46 2k0f s THR 40 Ca 0.65 0.08 0.16 0.00 -1.18 0.00 0.00 61.69 61.40 2k0f s THR 40 Cb -0.09 -3.39 0.01 0.00 1.34 0.00 0.00 72.50 70.37 2k0f s THR 40 CO 0.52 -0.43 1.23 -0.08 -0.54 0.00 0.00 174.62 175.32 2k0f h GLU 41 N -0.36 0.00 0.09 3.99 4.81 -1.99 -2.67 114.58 118.45 2k0f h GLU 41 Ca -0.45 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2k0f h GLU 41 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2k0f h GLU 41 CO 0.61 0.38 -0.04 0.00 -0.73 0.00 0.00 179.01 179.24 2k0f h ALA 42 N 1.53 -0.12 -0.27 2.92 0.00 -1.99 -2.78 119.26 118.54 2k0f h ALA 42 Ca -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2k0f h ALA 42 Cb 1.41 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2k0f h ALA 42 CO 0.05 -0.42 0.13 1.49 0.00 0.00 0.00 179.25 180.51 2k0f h GLU 43 N -0.42 0.37 -0.25 0.00 4.81 -1.98 -2.08 114.58 115.04 2k0f h GLU 43 Ca -0.01 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 43 Cb 0.35 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2k0f h GLU 43 CO 0.02 0.29 -0.10 1.25 -0.73 0.00 0.00 179.01 179.74 2k0f h LEU 44 N 0.37 0.38 -0.66 1.64 5.85 -1.46 -2.53 115.31 118.91 2k0f h LEU 44 Ca 0.10 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 2k0f h LEU 44 Cb 0.04 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2k0f h LEU 44 CO -0.01 0.52 -0.41 1.56 -0.34 0.00 0.00 178.44 179.76 2k0f h GLN 45 N 0.38 0.00 -0.02 1.25 4.20 -1.10 -2.92 115.11 116.91 2k0f h GLN 45 Ca 0.08 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.61 2k0f h GLN 45 Cb 0.42 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2k0f h GLN 45 CO 0.02 0.41 -0.77 0.22 -0.67 0.00 0.00 178.83 178.04 2k0f h ASP 46 N 0.00 0.22 -0.54 1.46 3.58 -1.11 -1.31 116.42 118.73 2k0f h ASP 46 Ca -0.00 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.24 2k0f h ASP 46 Cb 1.04 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.01 2k0f h ASP 46 CO 0.05 0.91 0.15 0.24 -2.88 0.00 0.00 179.24 177.71 2k0f h MET 47 N 0.11 0.85 0.43 0.28 2.86 -1.41 -2.57 114.93 115.49 2k0f h MET 47 Ca -0.03 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 2k0f h MET 47 Cb 1.35 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.90 2k0f h MET 47 CO 0.12 0.79 -0.21 0.82 1.06 0.00 0.00 176.91 179.49 2k0f h ILE 48 N 0.76 0.58 -0.10 -1.22 1.08 -1.40 -3.25 117.51 113.96 2k0f h ILE 48 Ca 0.17 -0.06 0.03 0.00 -0.39 0.00 0.00 64.86 64.61 2k0f h ILE 48 Cb 0.31 0.61 -0.00 0.00 -3.07 0.00 0.00 36.82 34.66 2k0f h ILE 48 CO -0.00 0.01 0.08 0.78 -0.69 0.00 0.00 178.15 178.33 2k0f h ASN 49 N -0.61 0.00 -0.86 1.72 2.35 -1.07 0.06 115.58 117.16 2k0f h ASN 49 Ca -0.06 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2k0f h ASN 49 Cb 0.46 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 2k0f h ASN 49 CO 0.10 0.00 0.57 -0.08 -1.65 0.00 0.00 177.43 176.37 2k0f h GLU 50 N 0.00 1.13 0.00 0.81 4.81 -1.49 -3.31 114.58 116.53 2k0f h GLU 50 Ca 0.05 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 50 Cb 0.20 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2k0f h GLU 50 CO -0.00 0.75 -1.03 1.33 -0.73 0.00 0.00 179.01 179.33 2k0f n VAL 51 N -4.49 0.00 -2.41 0.32 0.24 -0.51 -4.95 118.33 106.54 2k0f n VAL 51 Ca 0.09 -0.17 -0.42 0.00 -2.04 0.00 0.00 64.34 61.81 2k0f n VAL 51 Cb 0.02 0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 33.15 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -2.94 7.10 0.00 -1.34 2.15 -0.11 -4.81 116.67 116.72 2k0f s ASP 52 Ca 0.04 2.12 0.00 0.00 0.43 0.00 0.00 52.55 55.14 2k0f s ASP 52 Cb 0.13 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2k0f s ASP 52 CO 0.71 -0.40 0.00 0.00 -0.17 0.00 0.00 175.17 175.31 2k0f n ALA 53 N 3.15 0.00 -0.16 3.66 0.00 -1.26 -4.74 120.51 121.15 2k0f n ALA 53 Ca 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 2k0f n ALA 53 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k0f n ASP 54 N -1.96 -0.41 0.00 0.00 5.68 -1.26 -4.93 116.55 113.66 2k0f n ASP 54 Ca 0.00 1.10 0.00 0.00 -0.50 0.00 0.00 54.79 55.39 2k0f n ASP 54 Cb 0.00 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 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 -1.10 0.94 0.00 6.12 0.00 -1.26 -5.03 105.19 104.87 2k0f n GLY 55 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -0.02 1.61 0.23 -1.26 -4.87 115.26 110.95 2k0f n ASN 56 Ca 0.00 0.36 -0.00 0.00 -0.53 0.00 0.00 54.58 54.41 2k0f n ASN 56 Cb 0.00 -0.43 -0.00 0.00 -2.08 0.00 0.00 39.78 37.27 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 0.02 0.40 3.07 4.83 0.00 -1.26 -5.01 105.19 107.23 2k0f n GLY 57 Ca 0.05 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -1.77 1.13 -0.28 2.61 -4.23 -1.26 -4.64 115.64 107.20 2k0f s THR 58 Ca 0.00 -0.54 -0.29 0.00 -1.18 0.00 0.00 61.69 59.68 2k0f s THR 58 Cb 0.00 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.83 2k0f s THR 58 CO 0.00 0.34 1.56 -0.51 -0.54 0.00 0.00 174.62 175.46 2k0f s ILE 59 N 0.19 3.77 0.79 2.99 2.07 -1.01 -4.88 121.20 125.13 2k0f s ILE 59 Ca -0.05 0.85 -0.09 0.00 -1.41 0.00 0.00 60.65 59.96 2k0f s ILE 59 Cb -0.11 -3.85 0.11 0.00 0.13 0.00 0.00 42.46 38.75 2k0f s ILE 59 CO 0.02 -0.41 1.11 -1.81 -1.91 0.00 0.00 174.94 171.94 2k0f s ASP 60 N 4.19 4.22 0.09 4.50 1.11 -1.26 -2.51 116.67 127.00 2k0f s ASP 60 Ca 0.68 0.28 -0.18 0.00 0.18 0.00 0.00 52.55 53.51 2k0f s ASP 60 Cb -0.21 -0.69 -0.08 0.00 1.07 0.00 0.00 42.92 43.01 2k0f s ASP 60 CO 0.29 -2.00 1.52 0.15 1.18 0.00 0.00 175.17 176.31 2k0f h PHE 61 N -0.92 0.53 0.00 4.23 3.57 -1.95 -2.69 116.94 119.70 2k0f h PHE 61 Ca -0.43 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 60.97 2k0f h PHE 61 Cb 1.29 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.89 2k0f h PHE 61 CO -0.19 0.65 0.00 -0.35 -2.23 0.00 0.00 178.31 176.19 2k0f n PRO 62 N -4.59 0.04 -0.05 6.41 -0.04 -1.26 -1.09 135.00 134.43 2k0f n PRO 62 Ca -0.03 0.12 -0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2k0f n PRO 62 Cb 0.26 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.22 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.00 -0.99 0.54 5.08 -1.86 -1.25 114.58 116.10 2k0f h GLU 63 Ca 0.00 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.64 2k0f h GLU 63 Cb 0.35 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.42 2k0f h GLU 63 CO 0.00 0.00 0.07 0.35 -1.00 0.00 0.00 179.01 178.43 2k0f h PHE 64 N -0.88 0.01 0.10 4.33 3.57 -1.43 0.07 116.94 122.73 2k0f h PHE 64 Ca 0.00 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2k0f h PHE 64 Cb 0.05 0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2k0f h PHE 64 CO -0.02 -0.44 -0.05 1.25 -2.23 0.00 0.00 178.31 176.82 2k0f h LEU 65 N 0.01 -0.12 -0.94 0.59 5.85 -1.16 -3.19 115.31 116.35 2k0f h LEU 65 Ca 0.62 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 2k0f h LEU 65 Cb 1.32 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 2k0f h LEU 65 CO -0.92 0.27 0.06 0.74 -0.34 0.00 0.00 178.44 178.26 2k0f h THR 66 N -0.53 1.24 -0.46 1.05 2.02 -0.32 -0.88 112.91 115.02 2k0f h THR 66 Ca -0.01 -0.93 0.07 0.00 0.77 0.00 0.00 66.41 66.30 2k0f h THR 66 Cb 0.43 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.55 2k0f h THR 66 CO 0.02 0.34 0.11 -0.03 0.37 0.00 0.00 175.52 176.33 2k0f h MET 67 N 0.79 0.25 -0.01 6.66 1.85 -1.08 -2.63 114.93 120.76 2k0f h MET 67 Ca 0.16 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.24 2k0f h MET 67 Cb 0.39 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.36 2k0f h MET 67 CO 0.01 0.17 -0.22 -1.33 -0.40 0.00 0.00 176.91 175.14 2k0f n MET 68 N -5.08 0.98 0.07 0.39 2.00 -1.04 -4.09 117.12 110.36 2k0f n MET 68 Ca 0.04 -0.58 -0.08 0.00 0.00 0.00 0.00 57.70 57.08 2k0f n MET 68 Cb 0.21 -1.49 -0.09 0.00 0.00 0.00 0.00 33.22 31.85 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0f h ALA 69 N 3.80 0.38 -1.85 3.04 0.00 -0.79 -3.46 119.26 120.38 2k0f h ALA 69 Ca 0.00 -0.87 -0.66 0.00 0.00 0.00 0.00 54.91 53.38 2k0f h ALA 69 Cb 0.51 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 18.21 2k0f h ALA 69 CO 0.00 1.16 0.81 0.54 0.00 0.00 0.00 179.25 181.76 2k0f n ARG 70 N -3.42 1.60 -2.96 0.00 1.74 -1.17 -4.98 116.66 107.47 2k0f n ARG 70 Ca -0.01 0.58 -0.40 0.00 -0.77 0.00 0.00 57.85 57.25 2k0f n ARG 70 Cb 0.92 -2.31 -0.05 0.00 -1.02 0.00 0.00 32.46 30.00 2k0f n ARG 70 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2k0f s LYS 71 N 2.30 4.49 0.51 5.56 2.20 -1.26 -5.07 119.74 128.46 2k0f s LYS 71 Ca 0.89 1.06 0.01 0.00 -0.36 0.00 0.00 55.97 57.58 2k0f s LYS 71 Cb -0.87 -3.40 -0.01 0.00 -1.51 0.00 0.00 37.83 32.04 2k0f s LYS 71 CO 0.51 0.17 0.01 -1.64 -0.36 0.00 0.00 175.35 174.05 2k0f s MET 72 N 0.34 2.19 0.94 4.03 -1.94 -1.26 -5.16 119.30 118.45 2k0f s MET 72 Ca 0.40 -2.41 -0.11 0.00 -1.71 0.00 0.00 55.69 51.86 2k0f s MET 72 Cb -0.20 -1.44 0.16 0.00 2.01 0.00 0.00 34.83 35.36 2k0f s MET 72 CO 0.22 -0.40 1.10 -1.59 -0.01 0.00 0.00 175.02 174.34 2k0f s LYS 73 N -3.87 0.88 0.41 2.03 -2.85 -1.26 -4.74 119.74 110.34 2k0f s LYS 73 Ca 0.05 1.11 0.24 0.00 -1.00 0.00 0.00 55.97 56.37 2k0f s LYS 73 Cb 0.01 -1.74 0.48 0.00 -2.06 0.00 0.00 37.83 34.52 2k0f s LYS 73 CO 0.03 -2.58 1.66 -0.44 0.10 0.00 0.00 175.35 174.11 2k0f h ASP 74 N -1.81 0.00 1.72 0.03 3.32 -2.01 -1.86 116.42 115.80 2k0f h ASP 74 Ca -0.49 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 2k0f h ASP 74 Cb 1.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 2k0f h ASP 74 CO 0.49 0.00 -0.29 0.00 -1.72 0.00 0.00 179.24 177.72 2k0f h THR 75 N 0.00 0.11 0.07 0.35 1.03 -1.99 -2.01 112.91 110.46 2k0f h THR 75 Ca 0.00 -1.16 -0.26 0.00 -0.01 0.00 0.00 66.41 64.99 2k0f h THR 75 Cb 0.92 1.95 -0.01 0.00 -1.07 0.00 0.00 68.15 69.94 2k0f h THR 75 CO 0.00 0.06 -1.22 0.44 -0.01 0.00 0.00 175.52 174.79 2k0f h ASP 76 N 0.00 0.23 0.13 0.00 3.32 -1.71 -2.07 116.42 116.32 2k0f h ASP 76 Ca -0.00 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 2k0f h ASP 76 Cb 1.06 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 2k0f h ASP 76 CO 0.01 1.21 -0.04 0.28 -1.72 0.00 0.00 179.24 178.99 2k0f h SER 77 N 0.04 0.00 0.19 6.45 0.02 -0.90 -2.39 113.55 116.95 2k0f h SER 77 Ca -0.11 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.48 2k0f h SER 77 Cb 1.91 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.42 2k0f h SER 77 CO 0.16 0.04 -1.97 1.21 -1.14 0.00 0.00 176.83 175.13 2k0f n GLU 78 N -3.69 0.73 -0.29 3.45 2.13 -0.86 -4.34 120.64 117.77 2k0f n GLU 78 Ca -0.03 0.26 0.07 0.00 0.66 0.00 0.00 57.16 58.12 2k0f n GLU 78 Cb 0.13 -1.72 0.21 0.00 0.27 0.00 0.00 31.44 30.34 2k0f n GLU 78 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k0f h GLU 79 N 0.06 0.56 -0.08 5.31 4.81 -0.84 0.15 114.58 124.55 2k0f h GLU 79 Ca -0.41 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.72 2k0f h GLU 79 Cb 2.03 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 31.27 2k0f h GLU 79 CO 0.08 0.37 -0.29 1.05 -0.73 0.00 0.00 179.01 179.49 2k0f h GLU 80 N 0.58 0.14 0.40 1.92 4.11 -1.74 -0.38 114.58 119.61 2k0f h GLU 80 Ca 0.45 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.81 2k0f h GLU 80 Cb 0.64 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2k0f h GLU 80 CO -0.37 0.43 -0.19 0.82 0.07 0.00 0.00 179.01 179.77 2k0f h ILE 81 N 0.13 0.46 -0.57 -1.06 2.04 -0.94 -2.52 117.51 115.05 2k0f h ILE 81 Ca 0.02 -0.59 0.06 0.00 1.00 0.00 0.00 64.86 65.35 2k0f h ILE 81 Cb 0.59 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 2k0f h ILE 81 CO 0.04 0.09 0.26 0.03 0.00 0.00 0.00 178.15 178.57 2k0f h ARG 82 N -0.94 0.48 -0.00 2.37 3.08 -1.10 0.23 114.38 118.49 2k0f h ARG 82 Ca -0.05 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 2k0f h ARG 82 Cb 0.55 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 2k0f h ARG 82 CO 0.09 0.32 -0.61 0.93 -1.07 0.00 0.00 179.97 179.63 2k0f h GLU 83 N 0.49 0.01 -0.11 0.04 4.39 -1.17 -1.51 114.58 116.74 2k0f h GLU 83 Ca 0.26 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.85 2k0f h GLU 83 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2k0f h GLU 83 CO -0.21 0.62 -0.35 0.00 -1.16 0.00 0.00 179.01 177.91 2k0f h ALA 84 N 1.38 0.18 -0.85 3.43 0.00 -1.08 -2.32 119.26 120.00 2k0f h ALA 84 Ca -0.01 -0.44 0.22 0.00 0.00 0.00 0.00 54.91 54.68 2k0f h ALA 84 Cb 1.08 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 2k0f h ALA 84 CO 0.08 0.25 0.21 0.35 0.00 0.00 0.00 179.25 180.15 2k0f h PHE 85 N -0.01 0.32 -0.49 0.00 3.57 -0.41 -1.33 116.94 118.59 2k0f h PHE 85 Ca -0.01 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2k0f h PHE 85 Cb 0.98 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2k0f h PHE 85 CO 0.11 -0.19 0.27 -0.09 -2.23 0.00 0.00 178.31 176.19 2k0f h ARG 86 N 0.22 0.68 -0.40 1.11 2.43 -1.28 -2.13 114.38 115.00 2k0f h ARG 86 Ca 0.52 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.70 2k0f h ARG 86 Cb 1.02 -0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 30.35 2k0f h ARG 86 CO -0.63 0.52 -0.22 0.28 -1.51 0.00 0.00 179.97 178.41 2k0f h VAL 87 N 0.65 0.39 0.00 0.20 2.07 -0.76 -3.19 116.25 115.60 2k0f h VAL 87 Ca 0.17 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 2k0f h VAL 87 Cb 0.04 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2k0f h VAL 87 CO -0.03 0.00 -0.20 -0.26 0.02 0.00 0.00 177.57 177.11 2k0f h PHE 88 N -0.14 0.00 -3.31 1.57 0.04 -0.77 -3.39 116.94 110.93 2k0f h PHE 88 Ca 0.19 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.38 2k0f h PHE 88 Cb 0.45 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.52 2k0f h PHE 88 CO -0.45 0.20 0.62 0.34 -0.60 0.00 0.00 178.31 178.41 2k0f s ASP 89 N -6.82 6.85 -0.19 2.17 2.15 -0.85 -4.65 116.67 115.34 2k0f s ASP 89 Ca -0.04 0.96 -0.19 0.00 0.43 0.00 0.00 52.55 53.72 2k0f s ASP 89 Cb 0.15 -2.48 -0.16 0.00 -0.30 0.00 0.00 42.92 40.14 2k0f s ASP 89 CO 0.68 -0.69 0.17 0.50 -0.17 0.00 0.00 175.17 175.65 2k0f h LYS 90 N 7.92 0.00 0.00 4.34 1.63 -1.84 -3.43 116.57 125.19 2k0f h LYS 90 Ca -0.22 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.58 2k0f h LYS 90 Cb 1.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 2k0f h LYS 90 CO 0.94 0.78 0.00 -0.40 -3.45 0.00 0.00 179.45 177.32 2k0f n ASP 91 N -4.49 0.00 0.00 4.20 5.68 -1.26 -5.00 116.55 115.68 2k0f n ASP 91 Ca -0.25 0.91 0.00 0.00 -0.50 0.00 0.00 54.79 54.95 2k0f n ASP 91 Cb 0.57 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 2k0f n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 92 N -0.81 -0.22 0.13 6.12 0.00 -1.26 -5.06 105.19 104.07 2k0f n GLY 92 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 2.01 0.00 1.61 6.94 -1.26 -5.04 115.26 119.52 2k0f n ASN 93 Ca 0.00 0.24 0.00 0.00 -0.02 0.00 0.00 54.58 54.80 2k0f n ASN 93 Cb 0.00 -0.83 0.00 0.00 -2.36 0.00 0.00 39.78 36.59 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 1.80 4.12 3.92 4.83 0.00 -1.26 -5.12 105.19 113.48 2k0f n GLY 94 Ca -0.36 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 3.51 -0.12 1.61 2.02 -1.26 -4.87 117.35 118.24 2k0f s TYR 95 Ca 0.00 0.29 -0.19 0.00 -0.37 0.00 0.00 57.07 56.80 2k0f s TYR 95 Cb 0.00 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 2k0f s TYR 95 CO 0.00 0.56 0.53 0.42 -1.57 0.00 0.00 175.55 175.49 2k0f s ILE 96 N -1.55 5.14 0.33 2.71 -1.09 -0.06 -4.80 121.20 121.88 2k0f s ILE 96 Ca 0.36 1.05 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 2k0f s ILE 96 Cb -0.13 -3.87 -0.00 0.00 -1.58 0.00 0.00 42.46 36.89 2k0f s ILE 96 CO 0.28 0.28 0.00 -0.24 -1.23 0.00 0.00 174.94 174.03 2k0f n SER 97 N 3.92 2.88 -0.07 3.58 2.88 -1.26 -0.99 113.62 124.56 2k0f n SER 97 Ca -0.05 -2.45 -0.08 0.00 -1.33 0.00 0.00 58.87 54.95 2k0f n SER 97 Cb 0.51 0.24 -0.01 0.00 -0.75 0.00 0.00 64.21 64.20 2k0f n SER 97 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k0f h ALA 98 N 1.17 0.33 -0.18 -1.46 0.00 -1.94 -3.25 119.26 113.93 2k0f h ALA 98 Ca -0.27 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 2k0f h ALA 98 Cb 0.83 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2k0f h ALA 98 CO 0.46 -0.27 -0.39 0.00 0.00 0.00 0.00 179.25 179.05 2k0f h ALA 99 N 1.15 1.00 -0.42 0.00 0.00 -1.98 -2.72 119.26 116.29 2k0f h ALA 99 Ca 0.11 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2k0f h ALA 99 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2k0f h ALA 99 CO -0.09 0.61 0.16 0.93 0.00 0.00 0.00 179.25 180.86 2k0f h GLU 100 N 0.34 0.63 -0.18 0.00 5.08 -1.90 0.59 114.58 119.14 2k0f h GLU 100 Ca 0.03 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 2k0f h GLU 100 Cb 0.84 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2k0f h GLU 100 CO 0.07 0.60 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.18 2k0f h LEU 101 N 0.53 0.47 -0.48 1.33 3.38 -1.59 -2.92 115.31 116.04 2k0f h LEU 101 Ca 0.14 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2k0f h LEU 101 Cb 0.21 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2k0f h LEU 101 CO -0.01 0.85 0.18 -0.09 0.09 0.00 0.00 178.44 179.46 2k0f h ARG 102 N 0.36 0.72 0.35 1.13 9.65 -1.24 0.35 114.38 125.70 2k0f h ARG 102 Ca 0.03 -0.14 -0.00 0.00 -1.10 0.00 0.00 59.98 58.77 2k0f h ARG 102 Cb 0.91 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.35 2k0f h ARG 102 CO 0.08 0.66 -0.52 1.25 2.80 0.00 0.00 179.97 184.24 2k0f h HIS 103 N 0.63 -1.45 -0.38 2.20 2.76 -0.93 -1.89 115.15 116.07 2k0f h HIS 103 Ca 0.16 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.43 2k0f h HIS 103 Cb 0.22 0.59 -0.09 0.00 1.55 0.00 0.00 27.41 29.68 2k0f h HIS 103 CO 0.01 -0.64 -0.28 0.28 -1.30 0.00 0.00 177.93 176.00 2k0f h VAL 104 N -0.91 0.30 -0.28 5.26 2.07 -1.38 -1.54 116.25 119.77 2k0f h VAL 104 Ca -0.04 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.34 2k0f h VAL 104 Cb 0.83 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2k0f h VAL 104 CO -0.16 0.00 -0.39 0.24 0.02 0.00 0.00 177.57 177.28 2k0f h MET 105 N -0.21 0.67 -0.67 1.57 2.07 -0.92 -2.70 114.93 114.73 2k0f h MET 105 Ca 0.18 -0.34 0.05 0.00 -2.07 0.00 0.00 59.70 57.52 2k0f h MET 105 Cb 0.50 0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 30.20 2k0f h MET 105 CO -0.51 0.95 0.44 1.79 1.07 0.00 0.00 176.91 180.65 2k0f h THR 106 N 0.55 1.05 0.00 2.22 1.35 -1.26 0.13 112.91 116.95 2k0f h THR 106 Ca 0.05 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2k0f h THR 106 Cb 0.92 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 2k0f h THR 106 CO 0.08 0.13 0.00 0.78 -0.25 0.00 0.00 175.52 176.27 2k0f h ASN 107 N 0.73 0.00 0.11 5.36 2.35 -0.96 -3.21 115.58 119.97 2k0f h ASN 107 Ca 0.28 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.76 2k0f h ASN 107 Cb 0.18 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 2k0f h ASN 107 CO -0.09 0.00 -1.40 -0.07 -1.65 0.00 0.00 177.43 174.22 2k0f h LEU 108 N 0.00 0.36 0.00 1.61 3.38 -1.30 -3.42 115.31 115.94 2k0f h LEU 108 Ca 0.00 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.12 2k0f h LEU 108 Cb 0.45 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2k0f h LEU 108 CO 0.00 1.61 0.00 0.61 0.09 0.00 0.00 178.44 180.75 2k0f n GLY 109 N 1.74 0.99 3.75 0.83 0.00 -0.86 -4.93 105.19 106.71 2k0f n GLY 109 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 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 4.14 -0.80 1.61 0.41 0.40 -4.99 118.70 119.47 2k0f s GLU 110 Ca 0.00 0.03 -0.01 0.00 -0.41 0.00 0.00 54.97 54.58 2k0f s GLU 110 Cb 0.00 -3.39 0.20 0.00 -1.78 0.00 0.00 34.13 29.16 2k0f s GLU 110 CO 0.00 0.33 0.65 0.15 -0.49 0.00 0.00 175.26 175.91 2k0f s LYS 111 N 0.19 2.98 0.25 1.61 1.02 -1.26 -3.21 119.74 121.31 2k0f s LYS 111 Ca 0.15 -3.11 -0.17 0.00 0.02 0.00 0.00 55.97 52.85 2k0f s LYS 111 Cb -0.13 -3.82 -0.08 0.00 -0.52 0.00 0.00 37.83 33.28 2k0f s LYS 111 CO 0.03 -1.25 0.71 -0.51 -0.92 0.00 0.00 175.35 173.41 2k0f s LEU 112 N -1.06 4.25 0.00 3.17 1.43 -1.26 -5.10 118.68 120.11 2k0f s LEU 112 Ca 0.24 1.33 0.02 0.00 -1.03 0.00 0.00 54.13 54.69 2k0f s LEU 112 Cb -0.10 -3.71 0.02 0.00 0.03 0.00 0.00 46.19 42.43 2k0f s LEU 112 CO -0.11 -0.04 0.16 0.35 0.23 0.00 0.00 176.35 176.94 2k0f n THR 113 N 0.38 0.00 0.12 5.49 -2.24 -1.26 -4.96 114.28 111.80 2k0f n THR 113 Ca -0.01 -0.39 0.09 0.00 -2.27 0.00 0.00 64.05 61.47 2k0f n THR 113 Cb 0.52 -0.88 0.02 0.00 -2.10 0.00 0.00 70.33 67.88 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 0.02 0.00 0.96 3.42 5.19 -1.99 -2.76 116.42 121.26 2k0f h ASP 114 Ca -0.05 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.14 2k0f h ASP 114 Cb 0.25 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 2k0f h ASP 114 CO 0.08 0.16 -1.06 -0.33 -3.12 0.00 0.00 179.24 174.96 2k0f h GLU 115 N 0.00 0.00 -0.18 3.56 3.07 -1.99 -2.45 114.58 116.59 2k0f h GLU 115 Ca -0.03 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.65 2k0f h GLU 115 Cb 1.15 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.06 2k0f h GLU 115 CO 0.02 0.88 -0.63 0.93 -1.40 0.00 0.00 179.01 178.81 2k0f h GLU 116 N 0.00 0.64 -0.10 2.33 4.39 -1.94 -2.25 114.58 117.64 2k0f h GLU 116 Ca -0.05 -0.44 -0.14 0.00 0.34 0.00 0.00 59.36 59.07 2k0f h GLU 116 Cb 1.77 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.48 2k0f h GLU 116 CO 0.12 1.06 -0.55 0.28 -1.16 0.00 0.00 179.01 178.76 2k0f h VAL 117 N 0.47 1.36 -0.66 3.13 2.07 -1.45 -3.03 116.25 118.14 2k0f h VAL 117 Ca -0.01 -1.84 -0.06 0.00 0.82 0.00 0.00 66.70 65.61 2k0f h VAL 117 Cb 1.21 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.84 2k0f h VAL 117 CO 0.12 0.55 0.17 -0.78 0.02 0.00 0.00 177.57 177.65 2k0f h ASP 118 N 0.22 0.99 0.39 0.57 3.58 -0.92 0.63 116.42 121.88 2k0f h ASP 118 Ca 0.00 -0.23 -0.09 0.00 0.42 0.00 0.00 57.03 57.13 2k0f h ASP 118 Cb 1.03 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 2k0f h ASP 118 CO 0.09 0.96 -0.42 1.05 -2.88 0.00 0.00 179.24 178.04 2k0f h GLU 119 N 0.98 0.04 -0.01 0.28 4.11 -1.55 -0.45 114.58 117.97 2k0f h GLU 119 Ca 0.21 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.60 2k0f h GLU 119 Cb 0.35 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2k0f h GLU 119 CO -0.00 0.45 -0.08 1.98 0.07 0.00 0.00 179.01 181.43 2k0f h MET 120 N 0.03 0.07 0.16 1.06 4.05 -1.31 -2.16 114.93 116.84 2k0f h MET 120 Ca -0.00 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 2k0f h MET 120 Cb 0.76 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.57 2k0f h MET 120 CO 0.06 0.75 -0.08 0.82 0.23 0.00 0.00 176.91 178.69 2k0f h ILE 121 N -0.58 0.96 -0.45 1.77 1.08 -0.69 -2.79 117.51 116.82 2k0f h ILE 121 Ca -0.01 -0.65 0.09 0.00 -0.39 0.00 0.00 64.86 63.90 2k0f h ILE 121 Cb 0.77 1.36 -0.08 0.00 -3.07 0.00 0.00 36.82 35.80 2k0f h ILE 121 CO 0.02 0.15 -0.03 -0.09 -0.69 0.00 0.00 178.15 177.51 2k0f h ARG 122 N -0.54 0.08 -0.43 2.37 2.43 -1.16 0.43 114.38 117.55 2k0f h ARG 122 Ca -0.02 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 2k0f h ARG 122 Cb 0.41 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 2k0f h ARG 122 CO 0.04 0.05 -0.02 1.49 -1.51 0.00 0.00 179.97 180.02 2k0f h GLU 123 N 0.08 0.71 -0.58 0.20 4.81 -1.49 -2.92 114.58 115.39 2k0f h GLU 123 Ca 0.22 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 123 Cb 0.33 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2k0f h GLU 123 CO -0.39 0.74 0.03 0.00 -0.73 0.00 0.00 179.01 178.65 2k0f h ALA 124 N 1.32 0.78 -2.16 2.92 0.00 -0.93 -3.42 119.26 117.76 2k0f h ALA 124 Ca 0.13 -0.29 -0.58 0.00 0.00 0.00 0.00 54.91 54.18 2k0f h ALA 124 Cb 0.44 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 2k0f h ALA 124 CO 0.02 0.58 0.69 0.34 0.00 0.00 0.00 179.25 180.88 2k0f s ASP 125 N -6.46 7.11 -0.24 0.00 2.15 0.02 -4.79 116.67 114.45 2k0f s ASP 125 Ca -0.12 1.38 -0.13 0.00 0.43 0.00 0.00 52.55 54.11 2k0f s ASP 125 Cb 0.13 -2.53 -0.16 0.00 -0.30 0.00 0.00 42.92 40.06 2k0f s ASP 125 CO 0.84 -0.58 -0.11 -0.38 -0.17 0.00 0.00 175.17 174.77 2k0f n ILE 126 N 5.07 1.55 0.00 4.11 5.41 -1.26 -4.76 119.36 129.49 2k0f n ILE 126 Ca 0.10 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.52 2k0f n ILE 126 Cb 0.47 -1.85 0.00 0.00 -0.71 0.00 0.00 39.64 37.55 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -4.10 0.00 0.00 4.38 5.68 -1.26 -5.01 116.55 116.24 2k0f n ASP 127 Ca -0.45 0.36 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 2k0f n ASP 127 Cb 0.86 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.84 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N -0.12 0.00 0.15 6.12 0.00 -1.26 -5.06 105.19 105.02 2k0f n GLY 128 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.44 0.00 1.61 2.03 -1.95 -3.47 116.42 115.08 2k0f h ASP 129 Ca 0.00 -0.35 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 2k0f h ASP 129 Cb 0.00 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.36 2k0f h ASP 129 CO 0.00 1.15 0.00 0.61 -1.03 0.00 0.00 179.24 179.97 2k0f n GLY 130 N 0.89 0.91 3.46 7.15 0.00 -1.26 -5.09 105.19 111.26 2k0f n GLY 130 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.33 2.00 -0.34 1.61 -0.21 -1.26 -4.84 119.66 116.29 2k0f s GLN 131 Ca 0.00 -1.03 -0.23 0.00 0.02 0.00 0.00 55.36 54.12 2k0f s GLN 131 Cb 0.00 -2.17 0.01 0.00 1.00 0.00 0.00 33.01 31.85 2k0f s GLN 131 CO 0.00 0.53 0.77 0.08 -2.12 0.00 0.00 175.29 174.55 2k0f s VAL 132 N -0.97 4.77 0.67 1.09 1.01 -0.16 -4.83 120.40 121.97 2k0f s VAL 132 Ca 0.15 0.95 -0.02 0.00 0.00 0.00 0.00 61.98 63.07 2k0f s VAL 132 Cb -0.10 -4.18 0.08 0.00 0.00 0.00 0.00 36.38 32.18 2k0f s VAL 132 CO 0.06 -0.36 0.93 0.20 0.00 0.00 0.00 175.10 175.93 2k0f s ASN 133 N 1.77 4.71 0.04 3.32 -0.87 -1.26 -0.88 114.94 121.76 2k0f s ASN 133 Ca 0.31 -0.07 -0.25 0.00 -1.57 0.00 0.00 52.86 51.27 2k0f s ASN 133 Cb -0.14 -0.52 -0.17 0.00 -0.02 0.00 0.00 41.25 40.40 2k0f s ASN 133 CO 0.15 -1.59 1.49 0.22 -2.57 0.00 0.00 177.10 174.80 2k0f h TYR 134 N -0.37 -0.18 -0.30 2.20 3.20 -1.96 -0.90 116.97 118.66 2k0f h TYR 134 Ca -0.40 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.44 2k0f h TYR 134 Cb 1.28 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.60 2k0f h TYR 134 CO 0.06 0.05 0.07 1.49 -1.64 0.00 0.00 178.16 178.19 2k0f h GLU 135 N -0.40 0.43 -0.39 1.82 4.81 -1.98 -1.21 114.58 117.65 2k0f h GLU 135 Ca -0.02 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 135 Cb 0.32 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2k0f h GLU 135 CO 0.03 0.40 0.12 0.93 -0.73 0.00 0.00 179.01 179.77 2k0f h GLU 136 N 0.42 0.60 0.01 1.92 5.08 -1.84 -1.68 114.58 119.09 2k0f h GLU 136 Ca 0.10 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 136 Cb 0.17 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2k0f h GLU 136 CO -0.00 0.61 -0.00 0.35 -1.00 0.00 0.00 179.01 178.96 2k0f h PHE 137 N 0.48 -0.01 -0.62 4.33 3.57 -0.99 -0.31 116.94 123.39 2k0f h PHE 137 Ca 0.13 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 2k0f h PHE 137 Cb 0.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2k0f h PHE 137 CO 0.01 0.15 0.12 0.28 -2.23 0.00 0.00 178.31 176.64 2k0f h VAL 138 N -0.17 1.26 0.00 1.41 2.07 -1.23 -2.00 116.25 117.59 2k0f h VAL 138 Ca -0.00 -0.97 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 2k0f h VAL 138 Cb 0.17 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2k0f h VAL 138 CO 0.00 0.36 -0.37 1.56 0.02 0.00 0.00 177.57 179.15 2k0f h GLN 139 N 0.92 0.00 -0.28 1.57 1.08 -1.30 0.17 115.11 117.26 2k0f h GLN 139 Ca 0.19 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.32 2k0f h GLN 139 Cb 0.40 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2k0f h GLN 139 CO 0.01 0.37 -0.08 1.98 -0.95 0.00 0.00 178.83 180.15 2k0f h MET 140 N 0.00 0.55 0.12 1.46 4.05 -0.63 -3.40 114.93 117.09 2k0f h MET 140 Ca -0.00 -0.22 -0.35 0.00 -0.28 0.00 0.00 59.70 58.85 2k0f h MET 140 Cb 0.74 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 2k0f h MET 140 CO 0.05 0.76 -1.91 0.52 0.23 0.00 0.00 176.91 176.56 2k0f h MET 141 N 0.31 0.26 -0.03 0.39 2.86 -1.08 -3.51 114.93 114.13 2k0f h MET 141 Ca 0.07 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2k0f h MET 141 Cb 0.57 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.39 2k0f h MET 141 CO 0.03 1.22 0.00 2.41 1.06 0.00 0.00 176.91 181.63