#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 0.94 -0.19 -0.78 4.39 -2.05 -3.08 114.58 113.80 2k0f h GLU 2 Ca 0.00 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.69 2k0f h GLU 2 Cb 0.00 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.39 2k0f h GLU 2 CO 0.00 0.62 -0.14 0.93 -1.16 0.00 0.00 179.01 179.26 2k0f h GLU 3 N 0.97 -0.14 -0.10 2.33 3.07 -2.05 0.82 114.58 119.48 2k0f h GLU 3 Ca 0.50 0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 59.23 2k0f h GLU 3 Cb 0.51 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2k0f h GLU 3 CO -0.27 -0.09 -0.53 1.96 -1.40 0.00 0.00 179.01 178.67 2k0f h GLN 4 N -0.15 0.28 -0.16 2.33 7.50 -1.97 0.32 115.11 123.27 2k0f h GLN 4 Ca 0.11 -0.17 -0.16 0.00 0.50 0.00 0.00 58.65 58.93 2k0f h GLN 4 Cb 0.32 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.86 2k0f h GLN 4 CO -0.28 0.75 -0.58 0.82 -1.50 0.00 0.00 178.83 178.03 2k0f h ILE 5 N 0.22 1.33 -0.69 2.54 1.08 -1.54 -0.90 117.51 119.56 2k0f h ILE 5 Ca 0.00 -1.86 -0.04 0.00 -0.39 0.00 0.00 64.86 62.57 2k0f h ILE 5 Cb 1.01 1.85 -0.03 0.00 -3.07 0.00 0.00 36.82 36.58 2k0f h ILE 5 CO 0.09 0.57 0.27 0.00 -0.69 0.00 0.00 178.15 178.39 2k0f h ALA 6 N 0.99 1.18 -0.19 1.87 0.00 0.82 -1.23 119.26 122.70 2k0f h ALA 6 Ca -0.00 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2k0f h ALA 6 Cb 1.13 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2k0f h ALA 6 CO 0.11 0.59 -0.10 1.49 0.00 0.00 0.00 179.25 181.34 2k0f h GLU 7 N 1.00 -0.07 -0.03 0.00 4.57 -0.14 0.20 114.58 120.10 2k0f h GLU 7 Ca 0.23 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.36 2k0f h GLU 7 Cb 0.19 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2k0f h GLU 7 CO -0.02 -0.05 -0.26 0.74 -1.18 0.00 0.00 179.01 178.24 2k0f h PHE 8 N -0.08 0.06 -0.11 0.92 0.04 -0.68 -2.07 116.94 115.02 2k0f h PHE 8 Ca 0.11 -0.01 -0.19 0.00 2.80 0.00 0.00 57.97 60.68 2k0f h PHE 8 Cb 0.23 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 2k0f h PHE 8 CO -0.25 0.32 -0.71 0.87 -0.60 0.00 0.00 178.31 177.94 2k0f h LYS 9 N 0.05 0.52 -0.89 1.51 1.57 -0.26 -0.80 116.57 118.28 2k0f h LYS 9 Ca 0.01 -0.41 0.03 0.00 -1.87 0.00 0.00 60.65 58.41 2k0f h LYS 9 Cb 0.50 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 2k0f h LYS 9 CO 0.04 1.03 0.58 0.93 -0.57 0.00 0.00 179.45 181.46 2k0f h GLU 10 N 0.36 1.10 -0.62 3.15 5.08 -0.32 -1.18 114.58 122.16 2k0f h GLU 10 Ca -0.03 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 10 Cb 1.29 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 2k0f h GLU 10 CO 0.13 0.73 0.38 0.00 -1.00 0.00 0.00 179.01 179.24 2k0f h ALA 11 N 1.36 0.81 -0.71 3.43 0.00 -1.11 -2.33 119.26 120.70 2k0f h ALA 11 Ca 0.35 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 2k0f h ALA 11 Cb -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2k0f h ALA 11 CO -0.11 0.11 0.24 0.35 0.00 0.00 0.00 179.25 179.84 2k0f h PHE 12 N 0.73 1.13 0.00 0.00 3.57 -0.85 -0.45 116.94 121.08 2k0f h PHE 12 Ca 0.25 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2k0f h PHE 12 Cb 0.05 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.46 2k0f h PHE 12 CO -0.06 0.89 0.00 0.77 -2.23 0.00 0.00 178.31 177.69 2k0f h SER 13 N 1.04 0.00 0.49 0.41 0.02 -0.99 0.29 113.55 114.82 2k0f h SER 13 Ca 0.23 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2k0f h SER 13 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2k0f h SER 13 CO -0.01 0.00 -0.25 0.25 -1.14 0.00 0.00 176.83 175.68 2k0f h LEU 14 N 0.00 -0.60 0.20 5.07 5.85 -0.52 -3.40 115.31 121.91 2k0f h LEU 14 Ca 0.00 0.02 -0.35 0.00 0.84 0.00 0.00 57.88 58.40 2k0f h LEU 14 Cb 0.16 0.16 0.02 0.00 0.37 0.00 0.00 40.66 41.37 2k0f h LEU 14 CO 0.00 -0.41 -1.69 -0.26 -0.34 0.00 0.00 178.44 175.74 2k0f h PHE 15 N -0.68 0.77 -2.87 1.25 0.04 -0.96 -3.38 116.94 111.11 2k0f h PHE 15 Ca -0.06 -0.56 -0.70 0.00 2.80 0.00 0.00 57.97 59.45 2k0f h PHE 15 Cb 0.53 -0.03 -0.19 0.00 2.20 0.00 0.00 35.95 38.45 2k0f h PHE 15 CO -0.05 1.65 0.29 0.34 -0.60 0.00 0.00 178.31 179.93 2k0f s ASP 16 N -7.35 6.30 0.00 2.17 2.15 -0.10 -4.70 116.67 115.14 2k0f s ASP 16 Ca -0.14 -1.58 0.30 0.00 0.43 0.00 0.00 52.55 51.56 2k0f s ASP 16 Cb 0.05 -2.33 1.48 0.00 -0.30 0.00 0.00 42.92 41.83 2k0f s ASP 16 CO 0.87 -1.11 2.01 0.29 -0.17 0.00 0.00 175.17 177.07 2k0f n LYS 17 N 6.35 0.72 -0.11 4.34 5.02 -1.26 -4.21 118.16 129.02 2k0f n LYS 17 Ca -0.01 -0.13 -0.21 0.00 -2.02 0.00 0.00 58.31 55.93 2k0f n LYS 17 Cb 0.44 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.02 1.90 -0.01 4.39 8.00 -1.26 -5.04 116.55 123.50 2k0f n ASP 18 Ca 0.17 0.41 0.00 0.00 0.71 0.00 0.00 54.79 56.08 2k0f n ASP 18 Cb 0.23 -0.88 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 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 1.40 1.58 0.00 0.44 0.00 -1.26 -5.08 105.19 102.27 2k0f n GLY 19 Ca -0.35 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.14 0.00 0.00 1.61 5.68 -1.26 -5.03 116.55 117.68 2k0f n ASP 20 Ca 0.00 0.28 0.00 0.00 -0.50 0.00 0.00 54.79 54.57 2k0f n ASP 20 Cb 0.04 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 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 2.21 0.02 3.40 6.12 0.00 -1.26 -5.16 105.19 110.52 2k0f n GLY 21 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 2.13 -0.17 2.61 -4.23 -1.26 -4.41 115.64 110.31 2k0f s THR 22 Ca 0.00 -2.19 -0.07 0.00 -1.18 0.00 0.00 61.69 58.26 2k0f s THR 22 Cb 0.00 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 2k0f s THR 22 CO 0.00 -0.38 0.05 -0.63 -0.54 0.00 0.00 174.62 173.12 2k0f s ILE 23 N -2.37 4.68 0.56 2.99 1.01 -0.52 -4.78 121.20 122.77 2k0f s ILE 23 Ca 0.23 -0.08 0.09 0.00 0.00 0.00 0.00 60.65 60.90 2k0f s ILE 23 Cb -0.05 -3.09 0.09 0.00 0.01 0.00 0.00 42.46 39.42 2k0f s ILE 23 CO 0.10 0.48 0.76 0.35 0.00 0.00 0.00 174.94 176.63 2k0f n THR 24 N 3.40 0.00 0.23 2.92 -2.24 -1.26 -2.10 114.28 115.22 2k0f n THR 24 Ca -0.17 -1.90 0.07 0.00 -2.27 0.00 0.00 64.05 59.79 2k0f n THR 24 Cb 0.52 -0.50 0.54 0.00 -2.10 0.00 0.00 70.33 68.80 2k0f n THR 24 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2k0f h THR 25 N 0.13 0.96 0.21 4.28 1.35 -1.93 -0.97 112.91 116.93 2k0f h THR 25 Ca -0.27 -0.79 -0.30 0.00 -0.55 0.00 0.00 66.41 64.50 2k0f h THR 25 Cb 1.21 1.45 0.03 0.00 -1.73 0.00 0.00 68.15 69.12 2k0f h THR 25 CO 0.39 0.21 -1.32 0.50 -0.25 0.00 0.00 175.52 175.05 2k0f h LYS 26 N 0.00 0.53 -0.06 4.72 1.63 -1.97 -2.32 116.57 119.10 2k0f h LYS 26 Ca -0.00 -0.84 -0.14 0.00 -0.85 0.00 0.00 60.65 58.81 2k0f h LYS 26 Cb 0.43 0.31 -0.01 0.00 -0.60 0.00 0.00 32.23 32.35 2k0f h LYS 26 CO 0.03 1.40 -0.61 0.93 -3.45 0.00 0.00 179.45 177.75 2k0f h GLU 27 N 0.10 0.22 0.33 1.90 5.08 -1.83 0.30 114.58 120.68 2k0f h GLU 27 Ca -0.22 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 2k0f h GLU 27 Cb 2.02 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.30 2k0f h GLU 27 CO 0.25 0.76 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.79 2k0f h LEU 28 N 0.16 -0.38 -0.99 1.33 3.38 -1.30 -3.32 115.31 114.18 2k0f h LEU 28 Ca -0.01 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 57.97 2k0f h LEU 28 Cb 1.11 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 2k0f h LEU 28 CO 0.09 -0.09 0.62 1.23 0.09 0.00 0.00 178.44 180.38 2k0f h GLY 29 N -0.68 1.65 0.43 0.83 0.00 -0.63 0.12 103.07 104.79 2k0f h GLY 29 Ca -0.05 -0.41 0.10 0.00 0.00 0.00 0.00 47.33 46.97 2k0f h GLY 29 CO 0.08 0.12 0.31 -0.84 0.00 0.00 0.00 176.54 176.20 2k0f h THR 30 N 0.95 0.81 0.19 4.70 2.02 -0.60 -1.65 112.91 119.32 2k0f h THR 30 Ca 0.51 -0.18 -0.31 0.00 0.77 0.00 0.00 66.41 67.20 2k0f h THR 30 Cb 0.55 0.24 0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2k0f h THR 30 CO -0.29 0.10 -1.35 0.58 0.37 0.00 0.00 175.52 174.93 2k0f h VAL 31 N 0.52 1.38 -0.83 3.16 2.07 -1.39 -2.43 116.25 118.74 2k0f h VAL 31 Ca 0.34 -2.83 0.03 0.00 0.82 0.00 0.00 66.70 65.05 2k0f h VAL 31 Cb 0.38 2.96 -0.05 0.00 -1.52 0.00 0.00 31.29 33.07 2k0f h VAL 31 CO -0.29 0.84 0.54 0.24 0.02 0.00 0.00 177.57 178.92 2k0f h MET 32 N 0.13 1.02 0.00 1.57 2.86 -0.78 -0.36 114.93 119.37 2k0f h MET 32 Ca -0.19 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2k0f h MET 32 Cb 2.05 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 33.48 2k0f h MET 32 CO 0.24 0.68 -0.31 0.00 1.06 0.00 0.00 176.91 178.58 2k0f h ARG 33 N 1.05 0.00 -0.37 1.72 3.08 -1.07 0.58 114.38 119.37 2k0f h ARG 33 Ca 0.33 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.24 2k0f h ARG 33 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2k0f h ARG 33 CO -0.10 0.00 -0.29 0.77 -1.07 0.00 0.00 179.97 179.27 2k0f h SER 34 N 0.00 0.83 0.14 7.04 0.02 -0.94 -3.33 113.55 117.32 2k0f h SER 34 Ca 0.00 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.61 2k0f h SER 34 Cb 0.85 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2k0f h SER 34 CO 0.00 1.07 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.62 2k0f h LEU 35 N 0.68 -0.16 0.00 5.07 3.38 -0.96 -3.45 115.31 119.87 2k0f h LEU 35 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2k0f h LEU 35 Cb 0.83 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2k0f h LEU 35 CO 0.07 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.35 2k0f n GLY 36 N 1.14 0.00 3.45 0.83 0.00 -0.19 -5.01 105.19 105.41 2k0f n GLY 36 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.58 -0.58 1.61 -0.44 0.02 -4.96 119.66 115.89 2k0f s GLN 37 Ca 0.00 0.91 0.05 0.00 -2.50 0.00 0.00 55.36 53.82 2k0f s GLN 37 Cb 0.00 0.16 0.20 0.00 -1.64 0.00 0.00 33.01 31.73 2k0f s GLN 37 CO 0.00 -0.12 0.53 -1.71 0.50 0.00 0.00 175.29 174.49 2k0f n ASN 38 N 3.69 2.09 -4.61 6.67 5.15 -1.26 -2.68 115.26 124.31 2k0f n ASN 38 Ca -0.19 -3.03 -0.29 0.00 -0.60 0.00 0.00 54.58 50.48 2k0f n ASN 38 Cb 0.57 -0.68 0.20 0.00 -0.53 0.00 0.00 39.78 39.34 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k0f s PRO 39 N -1.38 0.03 0.67 1.20 0.04 -1.26 -5.04 135.00 129.27 2k0f s PRO 39 Ca 0.32 0.72 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 2k0f s PRO 39 Cb 0.05 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.92 2k0f s PRO 39 CO -0.13 -3.06 1.07 0.95 0.04 0.00 0.00 177.00 175.88 2k0f s THR 40 N -2.76 3.93 -0.25 1.26 -4.23 -1.26 -4.88 115.64 107.45 2k0f s THR 40 Ca 0.66 0.63 0.28 0.00 -1.18 0.00 0.00 61.69 62.08 2k0f s THR 40 Cb -0.21 -3.62 0.35 0.00 1.34 0.00 0.00 72.50 70.35 2k0f s THR 40 CO 0.60 -0.82 1.80 -0.33 -0.54 0.00 0.00 174.62 175.33 2k0f h GLU 41 N -0.53 0.00 0.28 3.99 5.08 -1.96 0.32 114.58 121.75 2k0f h GLU 41 Ca -0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2k0f h GLU 41 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2k0f h GLU 41 CO 0.63 0.00 -0.26 0.00 -1.00 0.00 0.00 179.01 178.38 2k0f h ALA 42 N 2.09 -0.56 0.09 3.43 0.00 -2.01 -2.97 119.26 119.34 2k0f h ALA 42 Ca 0.00 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 2k0f h ALA 42 Cb 0.69 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2k0f h ALA 42 CO 0.00 -0.85 -1.16 1.05 0.00 0.00 0.00 179.25 178.30 2k0f h GLU 43 N -0.57 0.24 -0.01 0.00 4.11 -1.86 -3.22 114.58 113.27 2k0f h GLU 43 Ca -0.01 -0.38 -0.01 0.00 0.07 0.00 0.00 59.36 59.03 2k0f h GLU 43 Cb 0.52 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2k0f h GLU 43 CO -0.04 1.16 -0.02 1.25 0.07 0.00 0.00 179.01 181.42 2k0f h LEU 44 N 0.08 0.01 -0.66 3.06 5.85 -1.03 -1.56 115.31 121.06 2k0f h LEU 44 Ca -0.11 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.48 2k0f h LEU 44 Cb 1.88 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.89 2k0f h LEU 44 CO 0.19 0.03 -0.64 -0.61 -0.34 0.00 0.00 178.44 177.06 2k0f h GLN 45 N 0.01 0.00 -0.11 1.25 5.75 -1.53 -3.12 115.11 117.36 2k0f h GLN 45 Ca 0.00 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.27 2k0f h GLN 45 Cb 0.05 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.61 2k0f h GLN 45 CO 0.00 0.64 -0.85 0.22 -2.65 0.00 0.00 178.83 176.20 2k0f h ASP 46 N 0.00 0.94 -0.76 -0.69 3.58 -1.32 -0.88 116.42 117.28 2k0f h ASP 46 Ca -0.01 -0.66 0.17 0.00 0.42 0.00 0.00 57.03 56.96 2k0f h ASP 46 Cb 1.18 -0.28 -0.13 0.00 1.72 0.00 0.00 39.33 41.82 2k0f h ASP 46 CO 0.08 1.45 0.02 0.24 -2.88 0.00 0.00 179.24 178.16 2k0f h MET 47 N 0.49 0.11 -0.34 0.28 2.86 -1.59 -2.18 114.93 114.55 2k0f h MET 47 Ca -0.07 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 2k0f h MET 47 Cb 1.49 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.11 2k0f h MET 47 CO 0.17 0.07 -0.19 0.82 1.06 0.00 0.00 176.91 178.85 2k0f h ILE 48 N 0.11 1.29 0.00 -1.22 2.04 -1.43 -3.26 117.51 115.03 2k0f h ILE 48 Ca 0.42 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.96 2k0f h ILE 48 Cb 0.74 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2k0f h ILE 48 CO -0.66 0.43 0.00 0.59 0.00 0.00 0.00 178.15 178.51 2k0f n ASN 49 N -4.31 0.48 0.04 1.72 3.02 -0.36 -1.38 115.26 114.48 2k0f n ASN 49 Ca -0.03 0.65 -0.19 0.00 -0.03 0.00 0.00 54.58 54.98 2k0f n ASN 49 Cb 0.41 -0.74 -0.12 0.00 -0.61 0.00 0.00 39.78 38.73 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2k0f h GLU 50 N 0.00 0.53 -0.00 3.52 4.81 -1.45 -3.33 114.58 118.66 2k0f h GLU 50 Ca 0.00 -0.62 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 2k0f h GLU 50 Cb 0.23 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2k0f h GLU 50 CO 0.00 1.24 -0.62 1.33 -0.73 0.00 0.00 179.01 180.23 2k0f n VAL 51 N -4.02 0.00 -1.67 0.32 0.24 -1.02 -4.96 118.33 107.23 2k0f n VAL 51 Ca -0.12 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.34 61.71 2k0f n VAL 51 Cb 0.81 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 33.79 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k0f n ASP 52 N -1.18 4.14 -0.13 -1.34 2.03 -0.48 -4.75 116.55 114.84 2k0f n ASP 52 Ca 0.07 0.92 -0.25 0.00 0.52 0.00 0.00 54.79 56.05 2k0f n ASP 52 Cb 0.35 -1.53 -0.10 0.00 -0.72 0.00 0.00 41.12 39.12 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N 7.17 1.36 0.40 -1.67 0.00 -1.26 -4.56 120.51 121.95 2k0f n ALA 53 Ca 0.20 -1.04 -0.16 0.00 0.00 0.00 0.00 53.44 52.44 2k0f n ALA 53 Cb 0.40 0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.64 -0.86 0.00 0.00 3.04 -1.95 -3.49 116.42 112.52 2k0f h ASP 54 Ca -0.63 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.19 2k0f h ASP 54 Cb 1.67 0.22 0.00 0.00 -1.04 0.00 0.00 39.33 40.18 2k0f h ASP 54 CO -0.30 -0.60 0.00 0.61 -2.04 0.00 0.00 179.24 176.90 2k0f n GLY 55 N -1.41 1.15 0.00 7.15 0.00 -1.26 -5.05 105.19 105.76 2k0f n GLY 55 Ca -0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 0.78 0.00 1.61 6.94 -1.26 -4.97 115.26 118.36 2k0f n ASN 56 Ca 0.00 -0.74 0.00 0.00 -0.02 0.00 0.00 54.58 53.82 2k0f n ASN 56 Cb 0.00 1.23 0.00 0.00 -2.36 0.00 0.00 39.78 38.65 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 57 N 1.44 0.87 3.06 4.83 0.00 -1.26 -5.07 105.19 109.06 2k0f n GLY 57 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.02 0.43 -0.10 2.61 -4.23 -1.26 -4.92 115.64 106.15 2k0f s THR 58 Ca 0.00 -1.27 -0.21 0.00 -1.18 0.00 0.00 61.69 59.04 2k0f s THR 58 Cb 0.00 -0.81 -0.04 0.00 1.34 0.00 0.00 72.50 72.99 2k0f s THR 58 CO 0.00 -0.56 0.58 -0.51 -0.54 0.00 0.00 174.62 173.59 2k0f s ILE 59 N -2.06 5.12 0.58 2.99 2.07 -0.89 -4.90 121.20 124.11 2k0f s ILE 59 Ca -0.06 1.18 0.07 0.00 -1.41 0.00 0.00 60.65 60.43 2k0f s ILE 59 Cb -0.05 -3.92 0.07 0.00 0.13 0.00 0.00 42.46 38.69 2k0f s ILE 59 CO -0.02 0.29 0.61 -1.81 -1.91 0.00 0.00 174.94 172.10 2k0f s ASP 60 N 0.72 4.80 0.11 4.50 1.11 -1.26 -1.44 116.67 125.21 2k0f s ASP 60 Ca 0.31 -1.12 -0.03 0.00 0.18 0.00 0.00 52.55 51.90 2k0f s ASP 60 Cb -0.16 0.50 -0.16 0.00 1.07 0.00 0.00 42.92 44.18 2k0f s ASP 60 CO 0.14 -1.30 1.25 0.15 1.18 0.00 0.00 175.17 176.59 2k0f h PHE 61 N 0.41 0.49 0.00 4.23 3.57 -1.97 -1.85 116.94 121.82 2k0f h PHE 61 Ca -0.32 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 60.87 2k0f h PHE 61 Cb 1.30 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.00 2k0f h PHE 61 CO 0.76 1.17 0.00 -1.35 -2.23 0.00 0.00 178.31 176.65 2k0f h PRO 62 N 0.14 0.00 0.15 6.41 0.11 -1.97 -2.03 132.00 134.81 2k0f h PRO 62 Ca -0.09 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 2k0f h PRO 62 Cb 1.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.84 2k0f h PRO 62 CO 0.17 0.00 -0.07 0.93 -0.21 0.00 0.00 178.00 178.82 2k0f h GLU 63 N 0.00 -0.19 -0.42 1.05 5.08 -1.81 -2.75 114.58 115.54 2k0f h GLU 63 Ca 0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 63 Cb 0.55 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 2k0f h GLU 63 CO 0.00 0.16 -0.24 0.34 -1.00 0.00 0.00 179.01 178.27 2k0f n PHE 64 N -4.89 -0.18 0.18 4.33 7.35 -0.71 -2.52 117.46 121.01 2k0f n PHE 64 Ca -0.06 0.52 0.12 0.00 -0.76 0.00 0.00 57.45 57.27 2k0f n PHE 64 Cb 0.22 -0.52 0.66 0.00 0.35 0.00 0.00 39.48 40.19 2k0f n PHE 64 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2k0f h LEU 65 N 0.00 0.00 -0.44 -2.13 5.85 -1.48 -1.82 115.31 115.29 2k0f h LEU 65 Ca 0.07 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2k0f h LEU 65 Cb 0.17 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2k0f h LEU 65 CO -0.39 0.00 0.02 0.74 -0.34 0.00 0.00 178.44 178.47 2k0f h THR 66 N 0.00 1.26 -0.08 1.05 2.02 -1.18 0.21 112.91 116.18 2k0f h THR 66 Ca 0.08 -0.99 -0.16 0.00 0.77 0.00 0.00 66.41 66.11 2k0f h THR 66 Cb 0.33 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2k0f h THR 66 CO -0.00 0.34 -0.66 0.00 0.37 0.00 0.00 175.52 175.57 2k0f h MET 67 N 0.60 0.33 0.00 6.66 -0.00 -1.35 -2.65 114.93 118.52 2k0f h MET 67 Ca 0.13 -0.25 -0.15 0.00 -0.00 0.00 0.00 59.70 59.44 2k0f h MET 67 Cb 0.46 0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 32.08 2k0f h MET 67 CO 0.02 0.87 -0.69 0.52 -0.00 0.00 0.00 176.91 177.63 2k0f h MET 68 N 0.23 0.00 -0.02 -0.10 2.07 -1.04 -3.22 114.93 112.85 2k0f h MET 68 Ca -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 2k0f h MET 68 Cb 1.20 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.93 2k0f h MET 68 CO 0.11 0.69 -0.04 0.00 1.07 0.00 0.00 176.91 178.74 2k0f n ALA 69 N -2.31 2.61 -1.81 6.32 0.00 0.70 -4.85 120.51 121.17 2k0f n ALA 69 Ca 0.01 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 2k0f n ALA 69 Cb 0.77 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.06 4.09 0.10 0.00 3.52 -1.00 -5.00 118.95 118.60 2k0f s ARG 70 Ca 0.32 2.39 -0.30 0.00 -0.13 0.00 0.00 55.73 58.01 2k0f s ARG 70 Cb 0.20 -4.10 -0.06 0.00 -1.56 0.00 0.00 34.95 29.44 2k0f s ARG 70 CO 0.34 -0.98 1.02 0.21 -0.81 0.00 0.00 175.30 175.08 2k0f s LYS 71 N 4.40 4.62 0.53 5.12 2.47 -1.26 -5.02 119.74 130.61 2k0f s LYS 71 Ca 0.83 1.53 0.03 0.00 -1.56 0.00 0.00 55.97 56.80 2k0f s LYS 71 Cb -0.38 -3.37 0.03 0.00 -1.46 0.00 0.00 37.83 32.65 2k0f s LYS 71 CO 0.36 0.08 0.28 -1.33 0.16 0.00 0.00 175.35 174.91 2k0f n MET 72 N 3.06 0.72 -1.98 4.03 2.81 -1.26 -5.15 117.12 119.35 2k0f n MET 72 Ca 0.04 -3.47 -0.29 0.00 -1.81 0.00 0.00 57.70 52.17 2k0f n MET 72 Cb 0.49 0.55 0.13 0.00 -0.71 0.00 0.00 33.22 33.67 2k0f n MET 72 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2k0f s LYS 73 N -4.10 1.47 0.01 0.03 -2.85 -1.26 -5.06 119.74 107.98 2k0f s LYS 73 Ca 0.21 -0.19 -0.18 0.00 -1.00 0.00 0.00 55.97 54.82 2k0f s LYS 73 Cb -0.02 -1.95 -0.32 0.00 -2.06 0.00 0.00 37.83 33.48 2k0f s LYS 73 CO 0.14 -1.86 0.99 -0.44 0.10 0.00 0.00 175.35 174.27 2k0f h ASP 74 N -1.21 0.71 -0.15 0.03 3.32 -2.01 -3.26 116.42 113.86 2k0f h ASP 74 Ca -0.45 -0.90 -0.02 0.00 0.02 0.00 0.00 57.03 55.67 2k0f h ASP 74 Cb 1.29 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2k0f h ASP 74 CO 0.53 1.55 0.03 0.00 -1.72 0.00 0.00 179.24 179.64 2k0f h THR 75 N -0.03 1.13 -0.50 0.35 1.03 -1.99 -1.60 112.91 111.30 2k0f h THR 75 Ca -0.19 -0.47 -0.06 0.00 -0.01 0.00 0.00 66.41 65.68 2k0f h THR 75 Cb 1.89 0.92 -0.02 0.00 -1.07 0.00 0.00 68.15 69.87 2k0f h THR 75 CO 0.22 0.16 0.09 0.44 -0.01 0.00 0.00 175.52 176.41 2k0f h ASP 76 N 0.32 0.80 1.09 0.00 5.19 -1.99 -1.45 116.42 120.39 2k0f h ASP 76 Ca 0.08 -0.26 -0.04 0.00 -0.62 0.00 0.00 57.03 56.19 2k0f h ASP 76 Cb 0.17 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 2k0f h ASP 76 CO 0.00 0.85 -0.21 0.28 -3.12 0.00 0.00 179.24 177.04 2k0f h SER 77 N 0.71 0.00 -0.03 6.45 0.02 -1.37 0.20 113.55 119.52 2k0f h SER 77 Ca 0.15 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.86 2k0f h SER 77 Cb 0.39 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.95 2k0f h SER 77 CO 0.01 0.21 -0.91 -0.08 -1.14 0.00 0.00 176.83 174.92 2k0f h GLU 78 N 0.00 0.67 0.00 3.45 4.81 -0.92 -3.27 114.58 119.32 2k0f h GLU 78 Ca -0.00 -0.68 -0.13 0.00 -0.13 0.00 0.00 59.36 58.41 2k0f h GLU 78 Cb 0.81 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 2k0f h GLU 78 CO 0.03 1.27 -0.63 1.49 -0.73 0.00 0.00 179.01 180.44 2k0f h GLU 79 N 0.33 0.00 -0.96 1.92 4.81 -1.07 -3.23 114.58 116.38 2k0f h GLU 79 Ca -0.11 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.33 2k0f h GLU 79 Cb 1.57 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.84 2k0f h GLU 79 CO 0.18 0.63 0.55 1.49 -0.73 0.00 0.00 179.01 181.12 2k0f h GLU 80 N 0.00 0.61 0.05 1.92 4.81 -0.65 -0.38 114.58 120.94 2k0f h GLU 80 Ca -0.01 -0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 58.95 2k0f h GLU 80 Cb 1.19 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2k0f h GLU 80 CO 0.08 0.40 -1.11 0.82 -0.73 0.00 0.00 179.01 178.48 2k0f h ILE 81 N 0.63 1.62 -0.16 2.32 2.04 -1.65 -2.27 117.51 120.03 2k0f h ILE 81 Ca 0.58 -3.28 -0.01 0.00 1.00 0.00 0.00 64.86 63.16 2k0f h ILE 81 Cb 0.99 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.94 2k0f h ILE 81 CO -0.43 0.94 0.08 -0.09 0.00 0.00 0.00 178.15 178.65 2k0f h ARG 82 N 0.03 0.24 -0.33 2.37 2.43 -1.53 0.19 114.38 117.77 2k0f h ARG 82 Ca -0.06 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 2k0f h ARG 82 Cb 1.85 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.34 2k0f h ARG 82 CO 0.16 0.27 -0.02 0.93 -1.51 0.00 0.00 179.97 179.80 2k0f h GLU 83 N 0.14 0.51 -0.45 0.20 4.39 -1.09 0.33 114.58 118.61 2k0f h GLU 83 Ca 0.06 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2k0f h GLU 83 Cb 0.12 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2k0f h GLU 83 CO -0.01 0.55 0.19 0.00 -1.16 0.00 0.00 179.01 178.59 2k0f h ALA 84 N 1.50 0.59 -0.65 3.43 0.00 -1.22 -3.08 119.26 119.83 2k0f h ALA 84 Ca 0.10 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2k0f h ALA 84 Cb 0.35 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2k0f h ALA 84 CO 0.01 0.18 0.41 0.35 0.00 0.00 0.00 179.25 180.21 2k0f h PHE 85 N 0.59 0.77 -0.55 0.00 3.57 -0.20 -3.24 116.94 117.88 2k0f h PHE 85 Ca 0.15 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.76 2k0f h PHE 85 Cb 0.17 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 38.59 2k0f h PHE 85 CO -0.00 0.46 0.18 0.00 -2.23 0.00 0.00 178.31 176.71 2k0f h ARG 86 N 0.81 0.33 -0.34 1.11 3.08 -0.38 -0.47 114.38 118.53 2k0f h ARG 86 Ca 0.25 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.17 2k0f h ARG 86 Cb -0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2k0f h ARG 86 CO -0.09 0.22 -0.23 -0.24 -1.07 0.00 0.00 179.97 178.56 2k0f h VAL 87 N 0.34 1.27 -0.20 2.04 3.04 -1.56 -2.88 116.25 118.31 2k0f h VAL 87 Ca 0.27 -1.32 -0.03 0.00 -1.01 0.00 0.00 66.70 64.61 2k0f h VAL 87 Cb 0.34 1.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.87 2k0f h VAL 87 CO -0.30 0.43 0.00 -0.26 -1.01 0.00 0.00 177.57 176.44 2k0f h PHE 88 N 0.59 0.39 -1.92 3.17 0.04 -1.55 -3.43 116.94 114.23 2k0f h PHE 88 Ca 0.08 -0.07 -0.52 0.00 2.80 0.00 0.00 57.97 60.26 2k0f h PHE 88 Cb 0.71 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.76 2k0f h PHE 88 CO 0.03 0.55 1.51 0.34 -0.60 0.00 0.00 178.31 180.14 2k0f s ASP 89 N -5.86 5.06 -0.11 2.17 2.15 -0.22 -4.75 116.67 115.11 2k0f s ASP 89 Ca -0.14 1.27 -0.09 0.00 0.43 0.00 0.00 52.55 54.02 2k0f s ASP 89 Cb 0.07 -2.51 -0.08 0.00 -0.30 0.00 0.00 42.92 40.10 2k0f s ASP 89 CO 0.73 -2.37 0.25 0.50 -0.17 0.00 0.00 175.17 174.11 2k0f h LYS 90 N 16.68 -0.02 -0.62 4.34 1.63 -1.83 -3.35 116.57 133.39 2k0f h LYS 90 Ca -0.31 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.40 2k0f h LYS 90 Cb 1.23 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.84 2k0f h LYS 90 CO 1.09 0.26 0.05 0.38 -3.45 0.00 0.00 179.45 177.78 2k0f h ASP 91 N -1.00 1.03 0.00 4.20 3.04 -1.94 -3.48 116.42 118.27 2k0f h ASP 91 Ca -0.00 -0.28 0.00 0.00 -3.24 0.00 0.00 57.03 53.50 2k0f h ASP 91 Cb 0.29 -0.28 0.00 0.00 -1.04 0.00 0.00 39.33 38.31 2k0f h ASP 91 CO 0.00 1.06 0.00 0.61 -2.04 0.00 0.00 179.24 178.88 2k0f n GLY 92 N -0.49 1.18 0.16 7.15 0.00 -1.26 -4.99 105.19 106.94 2k0f n GLY 92 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 0.05 0.00 1.61 -1.07 -1.92 -3.47 115.58 110.78 2k0f h ASN 93 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.34 2k0f h ASN 93 Cb 0.00 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.23 2k0f h ASN 93 CO 0.00 0.58 0.00 0.61 0.07 0.00 0.00 177.43 178.69 2k0f n GLY 94 N 0.04 1.17 2.88 9.14 0.00 -1.26 -5.09 105.19 112.06 2k0f n GLY 94 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 0.68 -0.23 1.61 2.02 -1.26 -4.13 117.35 114.03 2k0f s TYR 95 Ca 0.00 -0.17 -0.06 0.00 -0.37 0.00 0.00 57.07 56.47 2k0f s TYR 95 Cb 0.00 -0.62 -0.02 0.00 -0.40 0.00 0.00 41.96 40.92 2k0f s TYR 95 CO 0.00 -0.18 0.01 0.42 -1.57 0.00 0.00 175.55 174.24 2k0f s ILE 96 N 0.91 3.85 0.52 2.71 -1.09 -0.64 -4.89 121.20 122.57 2k0f s ILE 96 Ca -0.11 -0.33 -0.05 0.00 -2.23 0.00 0.00 60.65 57.92 2k0f s ILE 96 Cb -0.14 -2.77 -0.02 0.00 -1.58 0.00 0.00 42.46 37.94 2k0f s ILE 96 CO -0.00 0.39 0.83 -0.55 -1.23 0.00 0.00 174.94 174.37 2k0f s SER 97 N 1.49 6.04 0.25 3.58 0.15 -1.26 -1.66 113.70 122.30 2k0f s SER 97 Ca 0.06 0.87 -0.04 0.00 0.70 0.00 0.00 55.95 57.53 2k0f s SER 97 Cb -0.15 -2.07 0.37 0.00 -1.71 0.00 0.00 66.02 62.46 2k0f s SER 97 CO 0.00 -0.74 1.87 0.00 1.20 0.00 0.00 173.24 175.57 2k0f h ALA 98 N 0.08 1.29 0.03 5.45 0.00 -1.94 -0.30 119.26 123.86 2k0f h ALA 98 Ca -0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2k0f h ALA 98 Cb 1.22 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2k0f h ALA 98 CO 0.61 0.36 -0.02 0.00 0.00 0.00 0.00 179.25 180.21 2k0f h ALA 99 N 1.43 -0.04 -0.62 0.00 0.00 -1.98 -3.02 119.26 115.03 2k0f h ALA 99 Ca 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2k0f h ALA 99 Cb 0.17 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2k0f h ALA 99 CO -0.17 -0.29 0.29 1.49 0.00 0.00 0.00 179.25 180.57 2k0f h GLU 100 N -0.50 0.89 -0.18 0.00 4.81 -1.92 0.32 114.58 118.01 2k0f h GLU 100 Ca -0.00 -0.13 0.05 0.00 -0.13 0.00 0.00 59.36 59.14 2k0f h GLU 100 Cb 0.47 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 2k0f h GLU 100 CO 0.01 0.72 -0.12 1.25 -0.73 0.00 0.00 179.01 180.14 2k0f h LEU 101 N 0.85 -0.40 -0.48 1.64 5.85 -1.21 -3.20 115.31 118.36 2k0f h LEU 101 Ca 0.21 0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.87 2k0f h LEU 101 Cb 0.13 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2k0f h LEU 101 CO -0.03 -0.16 -0.39 -0.09 -0.34 0.00 0.00 178.44 177.43 2k0f h ARG 102 N -0.12 0.81 -1.09 1.25 2.43 -1.28 -2.53 114.38 113.86 2k0f h ARG 102 Ca 0.11 -0.43 0.33 0.00 -0.81 0.00 0.00 59.98 59.18 2k0f h ARG 102 Cb 0.28 0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 29.72 2k0f h ARG 102 CO -0.25 1.06 0.66 1.25 -1.51 0.00 0.00 179.97 181.18 2k0f h HIS 103 N 0.67 0.77 0.01 2.20 2.76 -0.37 0.17 115.15 121.35 2k0f h HIS 103 Ca 0.05 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.13 2k0f h HIS 103 Cb 0.96 -0.21 0.01 0.00 1.55 0.00 0.00 27.41 29.72 2k0f h HIS 103 CO 0.05 -0.11 -0.50 0.28 -1.30 0.00 0.00 177.93 176.35 2k0f h VAL 104 N 0.30 1.47 0.00 5.26 2.07 -1.51 -3.24 116.25 120.60 2k0f h VAL 104 Ca 0.72 -2.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 2k0f h VAL 104 Cb 1.82 2.68 -0.00 0.00 -1.52 0.00 0.00 31.29 34.27 2k0f h VAL 104 CO -0.48 0.59 -0.16 0.24 0.02 0.00 0.00 177.57 177.78 2k0f h MET 105 N -0.24 0.00 -0.07 1.57 2.07 -0.94 -2.83 114.93 114.49 2k0f h MET 105 Ca -0.06 0.00 -0.23 0.00 -2.07 0.00 0.00 59.70 57.34 2k0f h MET 105 Cb 1.24 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.98 2k0f h MET 105 CO 0.10 0.16 -0.88 1.79 1.07 0.00 0.00 176.91 179.15 2k0f h THR 106 N 0.00 1.32 0.00 2.22 1.35 -0.82 0.16 112.91 117.13 2k0f h THR 106 Ca -0.00 -2.17 -0.03 0.00 -0.55 0.00 0.00 66.41 63.66 2k0f h THR 106 Cb 0.32 2.20 -0.00 0.00 -1.73 0.00 0.00 68.15 68.94 2k0f h THR 106 CO 0.02 0.67 -0.13 0.78 -0.25 0.00 0.00 175.52 176.61 2k0f h ASN 107 N 0.39 0.00 0.49 5.36 2.35 -1.56 -2.50 115.58 120.12 2k0f h ASN 107 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2k0f h ASN 107 Cb 1.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.87 2k0f h ASN 107 CO 0.17 0.13 -0.38 0.18 -1.65 0.00 0.00 177.43 175.88 2k0f n LEU 108 N -3.72 0.54 -0.43 1.61 4.77 -1.08 -4.91 117.00 113.78 2k0f n LEU 108 Ca -0.02 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.92 2k0f n LEU 108 Cb 0.24 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2k0f n LEU 108 CO 0.31 0.12 -0.05 0.61 -1.33 0.00 0.00 177.39 177.05 2k0f n GLY 109 N 1.46 0.49 3.71 -0.72 0.00 -0.92 -5.01 105.19 104.20 2k0f n GLY 109 Ca 0.07 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.21 4.51 -0.04 1.61 0.41 0.51 -4.92 118.70 117.57 2k0f s GLU 110 Ca 0.00 1.59 -0.03 0.00 -0.41 0.00 0.00 54.97 56.12 2k0f s GLU 110 Cb 0.00 -3.40 -0.10 0.00 -1.78 0.00 0.00 34.13 28.85 2k0f s GLU 110 CO 0.00 -0.13 2.74 1.63 -0.49 0.00 0.00 175.26 179.01 2k0f n LYS 111 N 3.80 1.54 -2.97 1.61 5.02 -1.26 -4.72 118.16 121.17 2k0f n LYS 111 Ca 0.07 -0.63 -0.41 0.00 -2.02 0.00 0.00 58.31 55.32 2k0f n LYS 111 Cb 0.49 -1.52 -0.04 0.00 -0.02 0.00 0.00 35.03 33.93 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 -0.21 4.23 0.93 -0.35 1.43 -1.26 -5.06 118.68 118.39 2k0f s LEU 112 Ca 0.33 1.15 -0.15 0.00 -1.03 0.00 0.00 54.13 54.44 2k0f s LEU 112 Cb 0.17 -3.14 0.16 0.00 0.03 0.00 0.00 46.19 43.41 2k0f s LEU 112 CO -0.01 -0.27 1.24 0.42 0.23 0.00 0.00 176.35 177.97 2k0f s THR 113 N 1.54 1.97 0.25 5.49 -4.23 -1.26 -4.87 115.64 114.53 2k0f s THR 113 Ca 0.37 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.91 2k0f s THR 113 Cb -0.17 -2.93 -0.00 0.00 1.34 0.00 0.00 72.50 70.73 2k0f s THR 113 CO 0.15 0.00 1.62 0.44 -0.54 0.00 0.00 174.62 176.29 2k0f h ASP 114 N -1.52 0.36 -0.40 3.99 5.19 -1.99 -2.25 116.42 119.79 2k0f h ASP 114 Ca -0.46 -0.17 0.03 0.00 -0.62 0.00 0.00 57.03 55.80 2k0f h ASP 114 Cb 1.28 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 40.66 2k0f h ASP 114 CO 0.49 0.79 0.22 -0.33 -3.12 0.00 0.00 179.24 177.29 2k0f h GLU 115 N 0.27 0.43 0.01 3.56 3.07 -1.99 -2.48 114.58 117.45 2k0f h GLU 115 Ca 0.01 -0.03 -0.20 0.00 -0.50 0.00 0.00 59.36 58.65 2k0f h GLU 115 Cb 0.95 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.74 2k0f h GLU 115 CO 0.08 0.28 -0.94 0.93 -1.40 0.00 0.00 179.01 177.96 2k0f h GLU 116 N 0.44 0.06 -0.01 2.33 5.08 -1.85 0.67 114.58 121.29 2k0f h GLU 116 Ca 0.17 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2k0f h GLU 116 Cb 0.05 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 2k0f h GLU 116 CO -0.10 0.95 -0.26 0.28 -1.00 0.00 0.00 179.01 178.88 2k0f h VAL 117 N 0.03 0.40 -0.24 3.13 2.07 -1.24 0.17 116.25 120.56 2k0f h VAL 117 Ca -0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 2k0f h VAL 117 Cb 1.63 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.74 2k0f h VAL 117 CO 0.13 0.00 -0.21 -0.78 0.02 0.00 0.00 177.57 176.73 2k0f h ASP 118 N -0.40 -0.67 -0.79 0.57 1.82 -1.31 -2.20 116.42 113.44 2k0f h ASP 118 Ca 0.07 0.13 0.07 0.00 -0.39 0.00 0.00 57.03 56.91 2k0f h ASP 118 Cb 0.49 0.32 -0.06 0.00 0.68 0.00 0.00 39.33 40.76 2k0f h ASP 118 CO -0.24 -0.25 0.46 -0.08 -1.61 0.00 0.00 179.24 177.53 2k0f h GLU 119 N -0.21 0.79 -0.09 0.28 4.81 -0.58 -1.44 114.58 118.14 2k0f h GLU 119 Ca 0.14 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 59.11 2k0f h GLU 119 Cb 0.42 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2k0f h GLU 119 CO -0.36 0.53 -0.80 0.52 -0.73 0.00 0.00 179.01 178.16 2k0f h MET 120 N 0.82 0.59 -0.47 1.92 2.86 -0.37 -1.63 114.93 118.64 2k0f h MET 120 Ca 0.36 -0.51 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2k0f h MET 120 Cb 0.25 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 2k0f h MET 120 CO -0.21 1.13 0.22 0.82 1.06 0.00 0.00 176.91 179.93 2k0f h ILE 121 N 0.39 1.19 -0.90 -1.22 1.08 -1.33 -2.79 117.51 113.93 2k0f h ILE 121 Ca -0.05 -0.54 0.11 0.00 -0.39 0.00 0.00 64.86 63.98 2k0f h ILE 121 Cb 1.41 0.68 -0.08 0.00 -3.07 0.00 0.00 36.82 35.76 2k0f h ILE 121 CO 0.15 0.21 0.53 -0.09 -0.69 0.00 0.00 178.15 178.26 2k0f h ARG 122 N 0.61 0.83 0.55 2.37 2.43 -1.15 -1.99 114.38 118.02 2k0f h ARG 122 Ca 0.16 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2k0f h ARG 122 Cb 0.13 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2k0f h ARG 122 CO -0.02 0.55 -0.37 1.49 -1.51 0.00 0.00 179.97 180.10 2k0f h GLU 123 N 0.85 -0.84 -0.55 0.20 4.81 -1.17 -3.32 114.58 114.56 2k0f h GLU 123 Ca 0.44 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.77 2k0f h GLU 123 Cb 0.45 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 2k0f h GLU 123 CO -0.27 -0.56 0.30 0.00 -0.73 0.00 0.00 179.01 177.75 2k0f h ALA 124 N -1.30 0.71 -2.05 2.92 0.00 -1.35 -3.43 119.26 114.75 2k0f h ALA 124 Ca -0.07 0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.28 2k0f h ALA 124 Cb 0.71 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2k0f h ALA 124 CO 0.05 -0.02 1.28 0.34 0.00 0.00 0.00 179.25 180.89 2k0f s ASP 125 N -5.55 6.04 -0.14 0.00 2.15 -0.76 -4.77 116.67 113.64 2k0f s ASP 125 Ca -0.13 1.84 -0.02 0.00 0.43 0.00 0.00 52.55 54.67 2k0f s ASP 125 Cb 0.14 -2.52 -0.24 0.00 -0.30 0.00 0.00 42.92 39.99 2k0f s ASP 125 CO 0.74 -1.50 0.28 -0.38 -0.17 0.00 0.00 175.17 174.15 2k0f n ILE 126 N 6.81 1.70 0.07 4.11 5.41 -1.26 -4.55 119.36 131.64 2k0f n ILE 126 Ca 0.23 -0.67 -0.08 0.00 1.00 0.00 0.00 62.75 63.23 2k0f n ILE 126 Cb 0.45 -1.55 -0.05 0.00 -0.71 0.00 0.00 39.64 37.78 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 0.05 -0.23 0.00 4.38 3.04 -1.94 -3.49 116.42 118.22 2k0f h ASP 127 Ca -0.44 -0.18 0.00 0.00 -3.24 0.00 0.00 57.03 53.17 2k0f h ASP 127 Cb 2.02 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 40.37 2k0f h ASP 127 CO 0.05 0.29 0.00 0.61 -2.04 0.00 0.00 179.24 178.15 2k0f n GLY 128 N 0.85 1.22 0.24 7.15 0.00 -1.26 -5.01 105.19 108.38 2k0f n GLY 128 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.00 1.61 2.03 -1.95 -3.47 116.42 114.64 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 129 CO 0.00 0.15 0.00 0.61 -1.03 0.00 0.00 179.24 178.97 2k0f n GLY 130 N -0.06 1.34 3.25 7.15 0.00 -1.26 -5.08 105.19 110.54 2k0f n GLY 130 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.10 1.32 -0.39 1.61 -0.21 -1.26 -4.65 119.66 115.99 2k0f s GLN 131 Ca 0.00 -0.97 -0.29 0.00 0.02 0.00 0.00 55.36 54.12 2k0f s GLN 131 Cb 0.00 -1.46 0.01 0.00 1.00 0.00 0.00 33.01 32.57 2k0f s GLN 131 CO 0.00 0.37 1.26 0.08 -2.12 0.00 0.00 175.29 174.88 2k0f s VAL 132 N -0.86 4.13 0.90 1.09 1.01 -0.67 -4.77 120.40 121.23 2k0f s VAL 132 Ca 0.07 1.21 -0.15 0.00 0.00 0.00 0.00 61.98 63.11 2k0f s VAL 132 Cb -0.09 -4.33 0.21 0.00 0.00 0.00 0.00 36.38 32.17 2k0f s VAL 132 CO 0.02 -0.72 1.20 0.59 0.00 0.00 0.00 175.10 176.20 2k0f n ASN 133 N 7.97 0.03 0.04 3.32 4.13 -1.26 -1.62 115.26 127.87 2k0f n ASN 133 Ca 0.14 -1.43 -0.20 0.00 1.68 0.00 0.00 54.58 54.77 2k0f n ASN 133 Cb 0.48 -0.92 -0.11 0.00 -1.54 0.00 0.00 39.78 37.69 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2k0f h TYR 134 N -1.73 1.02 -0.76 3.10 3.20 -1.96 -2.64 116.97 117.20 2k0f h TYR 134 Ca -0.39 -0.56 -0.03 0.00 3.14 0.00 0.00 58.73 60.89 2k0f h TYR 134 Cb 1.08 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.20 2k0f h TYR 134 CO 0.00 1.40 0.37 0.93 -1.64 0.00 0.00 178.16 179.21 2k0f h GLU 135 N 0.35 1.10 -0.38 1.82 3.07 -1.96 -1.20 114.58 117.38 2k0f h GLU 135 Ca -0.13 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.36 58.53 2k0f h GLU 135 Cb 1.69 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 29.39 2k0f h GLU 135 CO 0.20 0.86 0.08 0.93 -1.40 0.00 0.00 179.01 179.68 2k0f h GLU 136 N 1.08 0.57 -0.54 2.33 5.08 -1.86 -0.61 114.58 120.62 2k0f h GLU 136 Ca 0.26 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2k0f h GLU 136 Cb 0.12 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2k0f h GLU 136 CO -0.03 0.53 -0.04 0.35 -1.00 0.00 0.00 179.01 178.82 2k0f h PHE 137 N 0.55 1.09 -0.13 4.33 3.57 -0.88 -1.07 116.94 124.41 2k0f h PHE 137 Ca 0.13 -0.20 -0.16 0.00 3.53 0.00 0.00 57.97 61.27 2k0f h PHE 137 Cb 0.23 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2k0f h PHE 137 CO 0.01 1.00 -0.58 0.28 -2.23 0.00 0.00 178.31 176.78 2k0f h VAL 138 N 0.86 1.35 -0.00 1.41 2.07 -0.59 -0.21 116.25 121.14 2k0f h VAL 138 Ca 0.15 -1.89 -0.16 0.00 0.82 0.00 0.00 66.70 65.62 2k0f h VAL 138 Cb 0.59 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 2k0f h VAL 138 CO 0.04 0.57 -0.76 -0.61 0.02 0.00 0.00 177.57 176.83 2k0f h GLN 139 N 0.31 0.02 -0.12 1.57 5.75 -1.03 -3.02 115.11 118.58 2k0f h GLN 139 Ca -0.00 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2k0f h GLN 139 Cb 1.11 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.66 2k0f h GLN 139 CO 0.10 0.77 0.00 1.98 -2.65 0.00 0.00 178.83 179.04 2k0f h MET 140 N 0.01 0.21 -0.05 1.69 4.05 -0.88 -3.34 114.93 116.62 2k0f h MET 140 Ca -0.01 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2k0f h MET 140 Cb 1.35 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.13 2k0f h MET 140 CO 0.10 0.44 0.00 -1.33 0.23 0.00 0.00 176.91 176.35 2k0f n MET 141 N -4.80 1.64 0.00 0.39 2.81 -0.12 -5.09 117.12 111.94 2k0f n MET 141 Ca -0.06 -0.93 0.13 0.00 -1.81 0.00 0.00 57.70 55.03 2k0f n MET 141 Cb 0.20 -1.46 0.38 0.00 -0.71 0.00 0.00 33.22 31.63 2k0f n MET 141 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89