#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 0.00 0.06 -0.78 9.09 -2.05 -2.61 114.58 118.28 2k0f h GLU 2 Ca 0.00 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.16 2k0f h GLU 2 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2k0f h GLU 2 CO 0.00 0.25 -1.07 1.49 0.05 0.00 0.00 179.01 179.73 2k0f h GLU 3 N 0.00 0.36 -0.25 1.06 4.57 -2.05 -1.79 114.58 116.47 2k0f h GLU 3 Ca -0.00 -0.46 -0.02 0.00 -1.18 0.00 0.00 59.36 57.70 2k0f h GLU 3 Cb 0.91 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 2k0f h GLU 3 CO 0.03 1.15 0.09 0.37 -1.18 0.00 0.00 179.01 179.47 2k0f h GLN 4 N 0.17 0.39 -0.95 1.92 4.15 -1.99 -0.46 115.11 118.34 2k0f h GLN 4 Ca -0.10 -0.08 0.16 0.00 0.77 0.00 0.00 58.65 59.39 2k0f h GLN 4 Cb 1.74 -0.06 -0.16 0.00 0.21 0.00 0.00 27.48 29.21 2k0f h GLN 4 CO 0.18 0.46 -0.36 0.82 -1.93 0.00 0.00 178.83 178.00 2k0f h ILE 5 N 0.25 0.02 -0.66 2.39 1.08 -1.46 -1.52 117.51 117.61 2k0f h ILE 5 Ca 0.08 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.66 2k0f h ILE 5 Cb 0.22 0.02 -0.08 0.00 -3.07 0.00 0.00 36.82 33.92 2k0f h ILE 5 CO -0.00 0.00 0.25 0.00 -0.69 0.00 0.00 178.15 177.71 2k0f h ALA 6 N 1.44 0.87 -0.48 1.87 0.00 -0.90 -1.31 119.26 120.76 2k0f h ALA 6 Ca 0.36 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.45 2k0f h ALA 6 Cb 0.61 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 2k0f h ALA 6 CO -0.96 -0.18 0.02 0.93 0.00 0.00 0.00 179.25 179.05 2k0f h GLU 7 N 0.43 0.13 0.00 0.00 5.08 -0.04 0.32 114.58 120.50 2k0f h GLU 7 Ca 0.34 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 2k0f h GLU 7 Cb 0.44 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2k0f h GLU 7 CO -0.33 0.09 -0.17 0.74 -1.00 0.00 0.00 179.01 178.34 2k0f h PHE 8 N 0.14 0.00 -0.19 4.33 0.04 -1.16 -1.99 116.94 118.11 2k0f h PHE 8 Ca 0.24 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.96 2k0f h PHE 8 Cb 0.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 2k0f h PHE 8 CO -0.29 0.17 -0.07 -0.22 -0.60 0.00 0.00 178.31 177.30 2k0f h LYS 9 N 0.00 0.38 -0.23 1.51 3.64 0.24 -1.19 116.57 120.92 2k0f h LYS 9 Ca -0.00 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2k0f h LYS 9 Cb 0.82 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.56 2k0f h LYS 9 CO 0.02 0.66 -0.30 1.49 -2.27 0.00 0.00 179.45 179.05 2k0f h GLU 10 N 0.08 -0.31 -0.33 1.90 4.57 -0.43 -2.54 114.58 117.53 2k0f h GLU 10 Ca 0.04 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.30 2k0f h GLU 10 Cb 0.53 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.14 2k0f h GLU 10 CO 0.02 -0.20 0.02 0.00 -1.18 0.00 0.00 179.01 177.67 2k0f h ALA 11 N 0.61 0.31 -0.28 2.92 0.00 -1.26 -2.39 119.26 119.17 2k0f h ALA 11 Ca 0.13 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2k0f h ALA 11 Cb 0.52 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2k0f h ALA 11 CO -0.41 -0.39 0.05 0.35 0.00 0.00 0.00 179.25 178.86 2k0f h PHE 12 N 0.12 0.09 -0.73 0.00 3.04 -1.19 -3.21 116.94 115.05 2k0f h PHE 12 Ca 0.16 0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.23 2k0f h PHE 12 Cb 0.21 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.67 2k0f h PHE 12 CO -0.22 0.02 0.48 0.77 -2.02 0.00 0.00 178.31 177.34 2k0f h SER 13 N 0.16 0.54 -0.99 0.41 0.02 -0.98 -1.77 113.55 110.94 2k0f h SER 13 Ca 0.13 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.19 2k0f h SER 13 Cb 0.14 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.50 2k0f h SER 13 CO -0.17 0.32 0.62 0.25 -1.14 0.00 0.00 176.83 176.71 2k0f h LEU 14 N 0.60 0.95 0.15 5.07 5.85 -1.55 -3.26 115.31 123.12 2k0f h LEU 14 Ca 0.34 0.03 -0.31 0.00 0.84 0.00 0.00 57.88 58.78 2k0f h LEU 14 Cb 0.52 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.39 2k0f h LEU 14 CO -0.12 0.56 -1.51 -0.26 -0.34 0.00 0.00 178.44 176.77 2k0f h PHE 15 N 1.06 0.59 -3.06 1.25 0.04 -1.47 -3.46 116.94 111.89 2k0f h PHE 15 Ca 0.46 -0.43 -0.56 0.00 2.80 0.00 0.00 57.97 60.24 2k0f h PHE 15 Cb 0.33 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 2k0f h PHE 15 CO -0.01 1.45 0.74 0.34 -0.60 0.00 0.00 178.31 180.22 2k0f s ASP 16 N -7.16 7.05 0.21 2.17 -1.08 -1.17 -4.83 116.67 111.86 2k0f s ASP 16 Ca -0.09 1.75 0.24 0.00 -0.52 0.00 0.00 52.55 53.92 2k0f s ASP 16 Cb 0.06 -2.55 0.37 0.00 -1.46 0.00 0.00 42.92 39.34 2k0f s ASP 16 CO 0.87 -0.61 1.41 0.11 0.52 0.00 0.00 175.17 177.47 2k0f h LYS 17 N 7.58 0.00 0.00 4.34 1.79 -1.88 -3.37 116.57 125.03 2k0f h LYS 17 Ca -0.32 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.12 2k0f h LYS 17 Cb 1.14 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2k0f h LYS 17 CO 0.90 0.00 -0.72 -0.25 -1.08 0.00 0.00 179.45 178.30 2k0f n ASP 18 N -2.42 1.84 -0.10 0.86 8.00 -1.26 -5.02 116.55 118.44 2k0f n ASP 18 Ca 0.03 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.09 2k0f n ASP 18 Cb 0.47 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 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 1.56 0.96 0.00 0.44 0.00 -1.26 -5.08 105.19 101.81 2k0f n GLY 19 Ca -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.26 0.00 0.00 1.61 5.75 -1.26 -5.01 116.55 117.90 2k0f n ASP 20 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 2k0f n ASP 20 Cb 0.10 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 2.15 0.00 3.56 6.12 0.00 -1.26 -5.13 105.19 110.63 2k0f n GLY 21 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2k0f n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 22 N 0.00 -0.10 -0.31 2.61 2.01 -1.26 -4.04 115.64 114.54 2k0f s THR 22 Ca 0.00 0.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.90 2k0f s THR 22 Cb 0.00 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 2k0f s THR 22 CO 0.00 0.01 0.24 -0.63 -0.69 0.00 0.00 174.62 173.55 2k0f s ILE 23 N 1.73 5.28 0.62 1.82 1.01 -0.88 -4.96 121.20 125.82 2k0f s ILE 23 Ca -0.09 0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.64 2k0f s ILE 23 Cb -0.06 -3.65 0.11 0.00 0.01 0.00 0.00 42.46 38.87 2k0f s ILE 23 CO -0.18 0.10 0.86 0.35 0.00 0.00 0.00 174.94 176.06 2k0f n THR 24 N 5.10 0.00 0.19 2.92 -2.24 -1.26 -2.47 114.28 116.52 2k0f n THR 24 Ca -0.12 -1.75 0.03 0.00 -2.27 0.00 0.00 64.05 59.93 2k0f n THR 24 Cb 0.51 -0.68 0.38 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.18 1.25 -0.35 4.28 1.35 -1.93 -2.71 112.91 114.62 2k0f h THR 25 Ca -0.29 -1.18 -0.04 0.00 -0.55 0.00 0.00 66.41 64.36 2k0f h THR 25 Cb 1.21 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 2k0f h THR 25 CO 0.37 0.34 0.07 0.11 -0.25 0.00 0.00 175.52 176.15 2k0f h LYS 26 N 0.01 0.57 -0.06 4.72 1.79 -1.96 0.41 116.57 122.04 2k0f h LYS 26 Ca -0.00 -0.14 -0.10 0.00 -2.18 0.00 0.00 60.65 58.23 2k0f h LYS 26 Cb 0.61 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2k0f h LYS 26 CO 0.04 0.63 -0.40 0.93 -1.08 0.00 0.00 179.45 179.57 2k0f h GLU 27 N 0.41 0.13 0.25 3.15 5.08 -1.87 -1.07 114.58 120.65 2k0f h GLU 27 Ca 0.11 -0.06 -0.34 0.00 -1.00 0.00 0.00 59.36 58.07 2k0f h GLU 27 Cb 0.33 -0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.61 2k0f h GLU 27 CO 0.00 0.51 -1.52 -0.07 -1.00 0.00 0.00 179.01 176.94 2k0f h LEU 28 N 0.11 0.82 -1.42 1.33 3.38 -1.44 -2.60 115.31 115.49 2k0f h LEU 28 Ca 0.01 -0.92 -0.03 0.00 0.09 0.00 0.00 57.88 57.03 2k0f h LEU 28 Cb 0.76 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2k0f h LEU 28 CO 0.06 1.73 0.02 1.23 0.09 0.00 0.00 178.44 181.57 2k0f h GLY 29 N 0.23 0.43 0.89 0.83 0.00 0.01 -1.84 103.07 103.63 2k0f h GLY 29 Ca -0.27 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 2k0f h GLY 29 CO 0.27 0.21 -0.02 -0.84 0.00 0.00 0.00 176.54 176.17 2k0f h THR 30 N 0.40 1.26 0.22 4.70 2.02 -1.23 -2.67 112.91 117.62 2k0f h THR 30 Ca 0.09 -0.98 -0.33 0.00 0.77 0.00 0.00 66.41 65.96 2k0f h THR 30 Cb 0.23 1.29 0.03 0.00 -1.74 0.00 0.00 68.15 67.96 2k0f h THR 30 CO 0.00 0.32 -1.52 1.62 0.37 0.00 0.00 175.52 176.31 2k0f h VAL 31 N 0.34 1.18 -0.90 3.16 3.04 -1.14 -2.54 116.25 119.39 2k0f h VAL 31 Ca 0.09 -2.62 0.10 0.00 -1.01 0.00 0.00 66.70 63.26 2k0f h VAL 31 Cb 0.46 2.96 -0.08 0.00 -2.01 0.00 0.00 31.29 32.63 2k0f h VAL 31 CO 0.02 0.82 0.54 0.24 -1.01 0.00 0.00 177.57 178.18 2k0f h MET 32 N 0.08 0.86 -0.75 4.17 2.86 -1.46 0.32 114.93 121.02 2k0f h MET 32 Ca -0.28 -0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.42 2k0f h MET 32 Cb 2.10 -0.19 -0.13 0.00 0.06 0.00 0.00 31.60 33.44 2k0f h MET 32 CO 0.23 0.57 -0.40 -0.09 1.06 0.00 0.00 176.91 178.28 2k0f h ARG 33 N 0.89 -0.12 -0.25 1.72 2.43 -1.42 -1.04 114.38 116.58 2k0f h ARG 33 Ca 0.44 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.53 2k0f h ARG 33 Cb 0.41 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2k0f h ARG 33 CO -0.25 -0.08 -0.24 0.77 -1.51 0.00 0.00 179.97 178.66 2k0f h SER 34 N -0.12 0.47 -0.15 -3.80 0.02 -0.53 -2.69 113.55 106.75 2k0f h SER 34 Ca 0.25 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2k0f h SER 34 Cb 0.56 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2k0f h SER 34 CO -0.80 0.71 0.04 -0.07 -1.14 0.00 0.00 176.83 175.57 2k0f h LEU 35 N 0.42 0.24 0.00 5.07 3.38 -1.30 -3.46 115.31 119.66 2k0f h LEU 35 Ca 0.06 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2k0f h LEU 35 Cb 0.64 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2k0f h LEU 35 CO 0.05 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.60 2k0f n GLY 36 N -0.50 -0.46 3.31 0.83 0.00 -0.77 -5.09 105.19 102.51 2k0f n GLY 36 Ca -0.05 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 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 1.32 -0.50 1.61 -0.21 -0.47 -4.98 119.66 116.44 2k0f s GLN 37 Ca 0.00 -1.68 0.01 0.00 0.02 0.00 0.00 55.36 53.71 2k0f s GLN 37 Cb 0.00 -0.45 0.13 0.00 1.00 0.00 0.00 33.01 33.69 2k0f s GLN 37 CO 0.00 -0.16 0.26 -0.80 -2.12 0.00 0.00 175.29 172.47 2k0f s ASN 38 N -3.28 4.85 0.15 5.90 -0.87 -1.26 -4.09 114.94 116.33 2k0f s ASN 38 Ca 0.30 -2.62 -0.14 0.00 -1.57 0.00 0.00 52.86 48.84 2k0f s ASN 38 Cb 0.07 -1.74 -0.07 0.00 -0.02 0.00 0.00 41.25 39.49 2k0f s ASN 38 CO 0.09 -0.36 0.54 -2.16 -2.57 0.00 0.00 177.10 172.64 2k0f s PRO 39 N 0.27 3.95 0.28 -0.60 0.04 -1.26 -5.10 135.00 132.58 2k0f s PRO 39 Ca 0.14 0.45 -0.13 0.00 0.04 0.00 0.00 61.00 61.51 2k0f s PRO 39 Cb -0.22 -2.91 -0.08 0.00 0.04 0.00 0.00 34.50 31.32 2k0f s PRO 39 CO -0.03 0.47 0.65 0.95 0.04 0.00 0.00 177.00 179.08 2k0f s THR 40 N -1.49 4.80 0.09 1.26 -4.23 -1.26 -4.99 115.64 109.82 2k0f s THR 40 Ca 0.38 0.73 -0.06 0.00 -1.18 0.00 0.00 61.69 61.56 2k0f s THR 40 Cb -0.15 -3.62 -0.26 0.00 1.34 0.00 0.00 72.50 69.82 2k0f s THR 40 CO 0.19 -0.13 1.18 -0.33 -0.54 0.00 0.00 174.62 175.00 2k0f h GLU 41 N 2.41 0.36 -1.02 3.99 5.08 -1.99 -2.44 114.58 120.97 2k0f h GLU 41 Ca -0.47 -0.52 0.27 0.00 -1.00 0.00 0.00 59.36 57.64 2k0f h GLU 41 Cb 1.17 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.54 2k0f h GLU 41 CO 0.67 1.21 0.70 0.00 -1.00 0.00 0.00 179.01 180.59 2k0f h ALA 42 N 0.58 2.59 -0.02 3.43 0.00 -1.98 -0.69 119.26 123.18 2k0f h ALA 42 Ca -0.13 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 2k0f h ALA 42 Cb 1.85 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 2k0f h ALA 42 CO 0.20 -0.93 -0.84 1.49 0.00 0.00 0.00 179.25 179.17 2k0f h GLU 43 N 0.20 0.27 -0.24 0.00 4.81 -1.83 -2.46 114.58 115.33 2k0f h GLU 43 Ca 0.53 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 2k0f h GLU 43 Cb 1.68 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.13 2k0f h GLU 43 CO -0.14 0.97 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.99 2k0f h LEU 44 N 0.16 0.46 -0.92 1.64 3.38 -1.43 -2.89 115.31 115.72 2k0f h LEU 44 Ca -0.05 -0.36 0.23 0.00 0.09 0.00 0.00 57.88 57.80 2k0f h LEU 44 Cb 1.45 -0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.95 2k0f h LEU 44 CO 0.13 0.71 0.44 -0.61 0.09 0.00 0.00 178.44 179.20 2k0f h GLN 45 N 0.21 0.42 -0.15 1.13 4.15 -1.20 -2.18 115.11 117.49 2k0f h GLN 45 Ca 0.06 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2k0f h GLN 45 Cb 0.50 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 2k0f h GLN 45 CO 0.02 0.28 0.06 0.22 -1.93 0.00 0.00 178.83 177.49 2k0f h ASP 46 N 0.43 0.20 -0.33 -0.69 1.82 -1.32 -0.37 116.42 116.16 2k0f h ASP 46 Ca 0.58 -0.15 0.01 0.00 -0.39 0.00 0.00 57.03 57.08 2k0f h ASP 46 Cb 1.11 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 41.05 2k0f h ASP 46 CO -0.52 0.29 0.21 0.24 -1.61 0.00 0.00 179.24 177.85 2k0f h MET 47 N 0.10 0.41 -0.03 0.28 2.86 -1.39 -2.99 114.93 114.17 2k0f h MET 47 Ca 0.05 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 2k0f h MET 47 Cb 0.15 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 2k0f h MET 47 CO -0.01 0.27 -0.61 0.82 1.06 0.00 0.00 176.91 178.44 2k0f h ILE 48 N 0.43 1.42 -0.80 -1.22 2.04 -1.28 -3.19 117.51 114.90 2k0f h ILE 48 Ca 0.12 -2.06 0.17 0.00 1.00 0.00 0.00 64.86 64.10 2k0f h ILE 48 Cb -0.03 2.08 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 2k0f h ILE 48 CO -0.04 0.60 0.53 0.78 0.00 0.00 0.00 178.15 180.02 2k0f h ASN 49 N 0.08 0.37 -0.32 1.72 2.35 -0.90 0.81 115.58 119.67 2k0f h ASN 49 Ca -0.01 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.83 2k0f h ASN 49 Cb 1.10 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 39.37 2k0f h ASN 49 CO 0.09 0.17 -0.05 -0.33 -1.65 0.00 0.00 177.43 175.66 2k0f h GLU 50 N 0.38 0.03 0.00 0.81 5.08 -1.61 -3.22 114.58 116.05 2k0f h GLU 50 Ca 0.40 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.65 2k0f h GLU 50 Cb 0.99 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2k0f h GLU 50 CO -0.13 0.02 -1.35 1.55 -1.00 0.00 0.00 179.01 178.10 2k0f n VAL 51 N -5.23 0.93 -1.64 3.13 3.14 -0.54 -4.89 118.33 113.23 2k0f n VAL 51 Ca 0.01 -0.64 -0.58 0.00 -2.96 0.00 0.00 64.34 60.16 2k0f n VAL 51 Cb 0.18 -0.55 -0.08 0.00 -1.06 0.00 0.00 33.84 32.33 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2k0f n ASP 52 N -2.77 2.07 -0.00 6.55 -0.08 0.17 -4.89 116.55 117.59 2k0f n ASP 52 Ca -0.07 0.97 -0.09 0.00 -1.51 0.00 0.00 54.79 54.09 2k0f n ASP 52 Cb 0.74 -1.10 0.07 0.00 2.34 0.00 0.00 41.12 43.17 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k0f h ALA 53 N 7.79 0.76 0.06 -1.67 0.00 -1.90 -3.33 119.26 120.97 2k0f h ALA 53 Ca -0.40 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.02 2k0f h ALA 53 Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2k0f h ALA 53 CO 0.98 0.67 -0.03 -0.44 0.00 0.00 0.00 179.25 180.43 2k0f h ASP 54 N 0.44 -0.07 0.00 0.00 3.32 -1.92 -3.49 116.42 114.70 2k0f h ASP 54 Ca 0.02 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2k0f h ASP 54 Cb 1.02 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2k0f h ASP 54 CO 0.09 0.51 0.00 0.61 -1.72 0.00 0.00 179.24 178.74 2k0f n GLY 55 N 0.55 0.80 0.00 2.75 0.00 -1.25 -5.04 105.19 103.00 2k0f n GLY 55 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.94 2k0f n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k0f n ASN 56 N 0.00 2.87 -0.03 1.61 4.13 -1.26 -5.00 115.26 117.57 2k0f n ASN 56 Ca 0.00 -0.21 -0.00 0.00 1.68 0.00 0.00 54.58 56.05 2k0f n ASN 56 Cb 0.00 1.05 -0.00 0.00 -1.54 0.00 0.00 39.78 39.29 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k0f n GLY 57 N 1.88 0.41 3.16 7.41 0.00 -1.26 -4.98 105.19 111.80 2k0f n GLY 57 Ca -0.00 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 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 1.33 -0.23 2.61 -4.23 -1.26 -4.37 115.64 107.47 2k0f s THR 58 Ca 0.00 -0.77 -0.05 0.00 -1.18 0.00 0.00 61.69 59.69 2k0f s THR 58 Cb 0.00 -1.12 -0.02 0.00 1.34 0.00 0.00 72.50 72.70 2k0f s THR 58 CO 0.00 0.34 0.01 -0.51 -0.54 0.00 0.00 174.62 173.91 2k0f s ILE 59 N -0.45 3.80 0.29 2.99 2.07 -1.03 -4.88 121.20 123.99 2k0f s ILE 59 Ca 0.06 -0.35 0.05 0.00 -1.41 0.00 0.00 60.65 59.00 2k0f s ILE 59 Cb -0.07 -2.75 0.05 0.00 0.13 0.00 0.00 42.46 39.82 2k0f s ILE 59 CO -0.00 0.39 0.38 0.47 -1.91 0.00 0.00 174.94 174.27 2k0f n ASP 60 N 4.79 1.11 -0.07 4.50 8.00 -1.26 -2.06 116.55 131.55 2k0f n ASP 60 Ca -0.17 -1.77 -0.11 0.00 0.71 0.00 0.00 54.79 53.44 2k0f n ASP 60 Cb 0.51 -0.19 -0.05 0.00 -0.02 0.00 0.00 41.12 41.37 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2k0f h PHE 61 N 0.09 0.39 0.00 1.24 3.57 -1.99 -1.25 116.94 118.99 2k0f h PHE 61 Ca -0.14 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.30 2k0f h PHE 61 Cb 0.62 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2k0f h PHE 61 CO 0.00 0.53 0.00 -2.30 -2.23 0.00 0.00 178.31 174.31 2k0f n PRO 62 N -4.70 0.14 -0.10 6.41 -0.02 -1.26 -2.50 135.00 132.98 2k0f n PRO 62 Ca -0.04 0.46 -0.15 0.00 -2.02 0.00 0.00 63.50 61.75 2k0f n PRO 62 Cb 0.21 -1.82 -0.07 0.00 -0.02 0.00 0.00 33.50 31.80 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k0f n GLU 63 N -2.11 0.52 -0.35 -0.52 1.02 -1.08 -3.92 120.64 114.21 2k0f n GLU 63 Ca 0.01 0.48 -0.00 0.00 -0.02 0.00 0.00 57.16 57.63 2k0f n GLU 63 Cb 0.16 -1.66 0.05 0.00 -0.02 0.00 0.00 31.44 29.97 2k0f n GLU 63 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k0f n PHE 64 N -4.48 0.06 -0.04 -0.32 -0.00 -0.49 -0.66 117.46 111.52 2k0f n PHE 64 Ca -0.24 1.12 0.20 0.00 -0.00 0.00 0.00 57.45 58.53 2k0f n PHE 64 Cb 0.54 -0.86 0.66 0.00 -0.00 0.00 0.00 39.48 39.82 2k0f n PHE 64 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2k0f h LEU 65 N 0.00 0.07 0.00 -2.13 3.38 -1.66 -0.43 115.31 114.53 2k0f h LEU 65 Ca 0.33 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 2k0f h LEU 65 Cb 0.56 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2k0f h LEU 65 CO -0.91 0.04 -0.46 0.74 0.09 0.00 0.00 178.44 177.94 2k0f h THR 66 N 0.07 1.06 -0.40 0.22 2.02 -1.36 -3.35 112.91 111.17 2k0f h THR 66 Ca 0.28 -1.96 -0.09 0.00 0.77 0.00 0.00 66.41 65.42 2k0f h THR 66 Cb 1.03 2.17 -0.02 0.00 -1.74 0.00 0.00 68.15 69.59 2k0f h THR 66 CO -0.02 0.36 -0.13 -0.03 0.37 0.00 0.00 175.52 176.07 2k0f h MET 67 N -1.00 0.72 0.00 6.66 1.85 -0.06 -1.44 114.93 121.65 2k0f h MET 67 Ca -0.11 -0.24 0.00 0.00 -0.61 0.00 0.00 59.70 58.74 2k0f h MET 67 Cb 0.90 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.87 2k0f h MET 67 CO -0.07 0.82 0.00 -1.33 -0.40 0.00 0.00 176.91 175.93 2k0f n MET 68 N -4.16 0.46 -0.01 0.39 2.81 -0.25 -2.02 117.12 114.34 2k0f n MET 68 Ca 0.01 0.02 0.10 0.00 -1.81 0.00 0.00 57.70 56.02 2k0f n MET 68 Cb 0.37 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.24 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k0f n ALA 69 N -1.04 3.50 -2.33 3.04 0.00 -0.55 -5.02 120.51 118.11 2k0f n ALA 69 Ca 0.11 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 2k0f n ALA 69 Cb 0.06 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 2k0f n ALA 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k0f s ARG 70 N -3.16 4.45 0.09 0.00 0.52 -0.86 -5.03 118.95 114.96 2k0f s ARG 70 Ca -0.01 1.79 -0.07 0.00 -0.52 0.00 0.00 55.73 56.93 2k0f s ARG 70 Cb 0.14 -3.32 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 2k0f s ARG 70 CO 0.82 -0.22 0.14 -1.59 0.02 0.00 0.00 175.30 174.47 2k0f s LYS 71 N 0.78 0.82 0.00 3.54 -2.85 -1.26 -5.07 119.74 115.69 2k0f s LYS 71 Ca 0.57 -1.06 0.00 0.00 -1.00 0.00 0.00 55.97 54.49 2k0f s LYS 71 Cb -0.30 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 35.78 2k0f s LYS 71 CO 0.31 -0.24 0.00 -1.33 0.10 0.00 0.00 175.35 174.18 2k0f n MET 72 N -0.03 0.00 -2.36 1.78 2.81 -1.26 -5.09 117.12 112.96 2k0f n MET 72 Ca -0.14 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.51 2k0f n MET 72 Cb 0.62 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 33.18 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k0f s LYS 73 N 1.39 2.43 0.15 0.03 1.02 -1.26 -4.90 119.74 118.60 2k0f s LYS 73 Ca 0.00 -0.35 -0.17 0.00 0.02 0.00 0.00 55.97 55.48 2k0f s LYS 73 Cb 0.00 -2.28 0.02 0.00 -0.52 0.00 0.00 37.83 35.05 2k0f s LYS 73 CO 0.00 -0.99 1.79 -0.44 -0.92 0.00 0.00 175.35 174.78 2k0f h ASP 74 N -0.33 0.31 -1.00 2.83 5.19 -1.98 -0.22 116.42 121.20 2k0f h ASP 74 Ca -0.44 0.01 0.25 0.00 -0.62 0.00 0.00 57.03 56.22 2k0f h ASP 74 Cb 1.30 -0.06 -0.13 0.00 0.18 0.00 0.00 39.33 40.63 2k0f h ASP 74 CO 0.58 0.22 0.59 0.71 -3.12 0.00 0.00 179.24 178.23 2k0f h THR 75 N 0.40 0.53 0.07 0.35 1.35 -1.99 -2.64 112.91 110.98 2k0f h THR 75 Ca 0.14 -0.20 -0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2k0f h THR 75 Cb 0.02 -0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.35 2k0f h THR 75 CO -0.08 0.10 -0.03 0.44 -0.25 0.00 0.00 175.52 175.70 2k0f h ASP 76 N 0.57 -0.08 0.59 5.36 3.32 -1.74 -3.30 116.42 121.14 2k0f h ASP 76 Ca 0.64 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2k0f h ASP 76 Cb 1.23 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2k0f h ASP 76 CO -0.48 0.48 0.00 -1.28 -1.72 0.00 0.00 179.24 176.24 2k0f h SER 77 N -0.68 0.00 0.50 6.45 0.87 -0.96 -2.36 113.55 117.36 2k0f h SER 77 Ca -0.01 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.35 2k0f h SER 77 Cb 0.56 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 2k0f h SER 77 CO 0.02 0.00 -1.66 -1.84 -0.53 0.00 0.00 176.83 172.82 2k0f n GLU 78 N -2.34 0.64 -0.31 2.24 0.28 -1.01 -3.76 120.64 116.39 2k0f n GLU 78 Ca 0.01 0.16 -0.04 0.00 -0.16 0.00 0.00 57.16 57.13 2k0f n GLU 78 Cb 0.19 -1.74 0.10 0.00 1.43 0.00 0.00 31.44 31.43 2k0f n GLU 78 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2k0f h GLU 79 N 0.00 1.21 0.00 3.44 4.81 -1.50 -2.82 114.58 119.73 2k0f h GLU 79 Ca -0.23 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 2k0f h GLU 79 Cb 1.70 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.86 2k0f h GLU 79 CO 0.04 0.91 -0.06 0.93 -0.73 0.00 0.00 179.01 180.10 2k0f h GLU 80 N 1.20 0.00 0.38 1.92 5.08 -1.64 0.49 114.58 122.02 2k0f h GLU 80 Ca 0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 2k0f h GLU 80 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2k0f h GLU 80 CO -0.04 0.06 -0.18 0.82 -1.00 0.00 0.00 179.01 178.67 2k0f h ILE 81 N 0.00 0.40 -0.87 3.13 1.08 -1.59 -0.50 117.51 119.16 2k0f h ILE 81 Ca -0.00 -0.66 0.12 0.00 -0.39 0.00 0.00 64.86 63.94 2k0f h ILE 81 Cb 0.14 0.62 -0.08 0.00 -3.07 0.00 0.00 36.82 34.42 2k0f h ILE 81 CO 0.01 0.08 0.49 0.03 -0.69 0.00 0.00 178.15 178.07 2k0f h ARG 82 N -0.98 0.73 -0.11 2.37 3.08 -1.34 -1.87 114.38 116.25 2k0f h ARG 82 Ca -0.05 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.82 2k0f h ARG 82 Cb 0.53 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2k0f h ARG 82 CO 0.09 0.48 -0.50 0.93 -1.07 0.00 0.00 179.97 179.90 2k0f h GLU 83 N 0.75 0.30 -0.51 0.04 4.39 -0.89 0.55 114.58 119.21 2k0f h GLU 83 Ca 0.45 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.86 2k0f h GLU 83 Cb 0.52 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2k0f h GLU 83 CO -0.30 0.73 -0.13 0.00 -1.16 0.00 0.00 179.01 178.15 2k0f h ALA 84 N 1.24 0.80 -0.47 3.43 0.00 -0.89 -3.06 119.26 120.30 2k0f h ALA 84 Ca 0.01 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 2k0f h ALA 84 Cb 0.96 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2k0f h ALA 84 CO 0.08 0.66 -0.19 0.35 0.00 0.00 0.00 179.25 180.15 2k0f h PHE 85 N 0.87 1.10 0.00 0.00 3.04 -1.19 -2.62 116.94 118.14 2k0f h PHE 85 Ca 0.13 -0.26 0.00 0.00 3.98 0.00 0.00 57.97 61.82 2k0f h PHE 85 Cb 0.69 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.94 2k0f h PHE 85 CO 0.04 1.08 0.15 -0.09 -2.02 0.00 0.00 178.31 177.48 2k0f h ARG 86 N 0.81 0.00 -0.45 1.11 2.43 -0.86 -1.80 114.38 115.62 2k0f h ARG 86 Ca 0.11 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 2k0f h ARG 86 Cb 0.77 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2k0f h ARG 86 CO 0.06 0.00 -0.07 0.28 -1.51 0.00 0.00 179.97 178.73 2k0f h VAL 87 N 0.00 1.27 -0.10 0.20 2.07 -1.36 -3.33 116.25 114.99 2k0f h VAL 87 Ca 0.00 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 2k0f h VAL 87 Cb 0.31 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2k0f h VAL 87 CO 0.00 0.40 -0.12 -0.26 0.02 0.00 0.00 177.57 177.61 2k0f h PHE 88 N 0.68 0.31 -3.32 1.57 0.04 -1.42 -3.43 116.94 111.37 2k0f h PHE 88 Ca 0.12 -0.10 -0.57 0.00 2.80 0.00 0.00 57.97 60.22 2k0f h PHE 88 Cb 0.60 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.63 2k0f h PHE 88 CO 0.05 0.70 0.90 0.34 -0.60 0.00 0.00 178.31 179.69 2k0f s ASP 89 N -6.03 6.80 -0.00 2.17 2.15 -0.91 -4.79 116.67 116.06 2k0f s ASP 89 Ca -0.15 1.01 -0.00 0.00 0.43 0.00 0.00 52.55 53.84 2k0f s ASP 89 Cb 0.04 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 40.12 2k0f s ASP 89 CO 0.73 -1.00 -0.00 1.17 -0.17 0.00 0.00 175.17 175.90 2k0f n LYS 90 N 7.16 0.01 -0.17 4.34 3.00 -1.26 -4.74 118.16 126.51 2k0f n LYS 90 Ca 0.13 0.20 -0.04 0.00 -0.00 0.00 0.00 58.31 58.59 2k0f n LYS 90 Cb 0.47 -0.71 -0.04 0.00 0.00 0.00 0.00 35.03 34.75 2k0f n LYS 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2k0f n ASP 91 N -2.34 -0.42 0.00 3.14 5.68 -1.26 -4.89 116.55 116.46 2k0f n ASP 91 Ca -0.00 1.28 0.00 0.00 -0.50 0.00 0.00 54.79 55.57 2k0f n ASP 91 Cb 0.01 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 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 -1.10 -0.54 0.20 6.12 0.00 -1.26 -5.07 105.19 103.54 2k0f n GLY 92 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 0.81 0.00 1.61 7.08 -1.94 -3.48 115.58 119.66 2k0f h ASN 93 Ca 0.00 -0.65 0.00 0.00 -3.08 0.00 0.00 56.30 52.57 2k0f h ASN 93 Cb 0.00 -0.24 0.00 0.00 -2.08 0.00 0.00 38.32 36.00 2k0f h ASN 93 CO 0.00 1.34 0.00 0.61 -2.08 0.00 0.00 177.43 177.30 2k0f n GLY 94 N 0.77 1.42 3.09 9.14 0.00 -1.26 -5.13 105.19 113.23 2k0f n GLY 94 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 1.44 -0.32 1.61 2.02 -1.26 -4.33 117.35 114.50 2k0f s TYR 95 Ca 0.00 -0.39 -0.20 0.00 -0.37 0.00 0.00 57.07 56.12 2k0f s TYR 95 Cb 0.00 -0.98 -0.01 0.00 -0.40 0.00 0.00 41.96 40.57 2k0f s TYR 95 CO 0.00 -0.13 0.60 0.42 -1.57 0.00 0.00 175.55 174.86 2k0f s ILE 96 N 0.05 4.95 0.54 2.71 1.01 0.87 -4.86 121.20 126.46 2k0f s ILE 96 Ca -0.03 0.68 -0.05 0.00 0.00 0.00 0.00 60.65 61.25 2k0f s ILE 96 Cb -0.10 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 2k0f s ILE 96 CO 0.01 -0.18 0.83 -0.94 0.00 0.00 0.00 174.94 174.66 2k0f s SER 97 N 1.70 5.81 0.31 3.58 1.04 -1.26 -2.48 113.70 122.40 2k0f s SER 97 Ca 0.23 0.70 0.04 0.00 0.48 0.00 0.00 55.95 57.40 2k0f s SER 97 Cb -0.15 -1.82 0.51 0.00 0.10 0.00 0.00 66.02 64.65 2k0f s SER 97 CO 0.13 -0.87 1.78 0.00 0.98 0.00 0.00 173.24 175.26 2k0f h ALA 98 N 0.03 1.22 -0.78 5.32 0.00 -1.97 -1.31 119.26 121.77 2k0f h ALA 98 Ca -0.46 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.16 2k0f h ALA 98 Cb 1.24 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2k0f h ALA 98 CO 0.60 0.50 0.51 0.00 0.00 0.00 0.00 179.25 180.87 2k0f h ALA 99 N 1.40 0.99 -0.32 0.00 0.00 -1.97 0.36 119.26 119.71 2k0f h ALA 99 Ca 0.07 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2k0f h ALA 99 Cb 0.55 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2k0f h ALA 99 CO 0.04 0.41 -0.41 0.93 0.00 0.00 0.00 179.25 180.21 2k0f h GLU 100 N 1.06 0.85 -0.72 0.00 5.08 -1.73 -1.33 114.58 117.80 2k0f h GLU 100 Ca 0.28 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2k0f h GLU 100 Cb -0.11 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2k0f h GLU 100 CO -0.06 1.12 0.28 1.25 -1.00 0.00 0.00 179.01 180.60 2k0f h LEU 101 N 0.64 1.00 -0.45 1.33 5.85 -1.13 -1.04 115.31 121.50 2k0f h LEU 101 Ca 0.04 -0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.46 2k0f h LEU 101 Cb 1.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 2k0f h LEU 101 CO 0.10 0.90 -0.61 -0.09 -0.34 0.00 0.00 178.44 178.40 2k0f h ARG 102 N 1.03 0.00 0.83 1.25 2.43 -0.28 -2.27 114.38 117.38 2k0f h ARG 102 Ca 0.24 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 2k0f h ARG 102 Cb 0.22 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2k0f h ARG 102 CO -0.02 0.61 -0.48 1.25 -1.51 0.00 0.00 179.97 179.82 2k0f h HIS 103 N 0.00 -1.28 -0.98 2.20 2.76 -1.03 -2.23 115.15 114.59 2k0f h HIS 103 Ca -0.01 -0.02 0.16 0.00 -2.20 0.00 0.00 60.37 58.30 2k0f h HIS 103 Cb 1.27 0.45 -0.10 0.00 1.55 0.00 0.00 27.41 30.58 2k0f h HIS 103 CO 0.00 -0.74 0.59 0.28 -1.30 0.00 0.00 177.93 176.77 2k0f h VAL 104 N -1.23 0.79 0.01 5.26 2.07 -1.19 -1.95 116.25 120.02 2k0f h VAL 104 Ca -0.11 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2k0f h VAL 104 Cb 0.97 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2k0f h VAL 104 CO 0.13 0.15 -0.01 0.24 0.02 0.00 0.00 177.57 178.11 2k0f h MET 105 N 0.83 -0.02 -0.65 1.57 2.07 -1.30 -0.80 114.93 116.64 2k0f h MET 105 Ca 0.53 0.00 0.14 0.00 -2.07 0.00 0.00 59.70 58.30 2k0f h MET 105 Cb 0.71 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.40 2k0f h MET 105 CO -0.34 0.30 0.44 1.15 1.07 0.00 0.00 176.91 179.54 2k0f h THR 106 N -0.33 0.81 -0.82 2.22 2.02 -1.39 -1.09 112.91 114.32 2k0f h THR 106 Ca -0.00 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2k0f h THR 106 Cb 0.32 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 2k0f h THR 106 CO 0.00 0.05 0.48 0.78 0.37 0.00 0.00 175.52 177.21 2k0f h ASN 107 N 0.30 0.99 1.19 4.18 2.35 -1.04 -3.29 115.58 120.26 2k0f h ASN 107 Ca 0.31 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.82 2k0f h ASN 107 Cb 0.81 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 2k0f h ASN 107 CO -0.08 0.78 -0.83 -0.07 -1.65 0.00 0.00 177.43 175.59 2k0f h LEU 108 N 1.13 0.00 0.00 1.61 3.38 -0.54 -3.45 115.31 117.44 2k0f h LEU 108 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2k0f h LEU 108 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2k0f h LEU 108 CO -0.05 0.75 0.00 0.61 0.09 0.00 0.00 178.44 179.84 2k0f n GLY 109 N 1.30 1.34 3.54 0.83 0.00 -0.79 -4.85 105.19 106.56 2k0f n GLY 109 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.17 3.78 -0.64 1.61 0.41 -0.48 -5.03 118.70 118.18 2k0f s GLU 110 Ca 0.00 -0.45 0.05 0.00 -0.41 0.00 0.00 54.97 54.16 2k0f s GLU 110 Cb 0.00 -3.09 0.16 0.00 -1.78 0.00 0.00 34.13 29.42 2k0f s GLU 110 CO 0.00 0.18 0.43 -1.59 -0.49 0.00 0.00 175.26 173.79 2k0f s LYS 111 N 0.58 2.19 0.12 1.61 0.00 -1.26 -3.35 119.74 119.63 2k0f s LYS 111 Ca 0.00 -3.06 0.03 0.00 0.00 0.00 0.00 55.97 52.95 2k0f s LYS 111 Cb -0.14 -3.17 -0.04 0.00 0.00 0.00 0.00 37.83 34.49 2k0f s LYS 111 CO 0.02 -1.26 0.14 -0.51 0.00 0.00 0.00 175.35 173.73 2k0f s LEU 112 N -1.05 3.92 0.61 2.77 1.43 -1.26 -5.12 118.68 119.99 2k0f s LEU 112 Ca 0.24 -0.00 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 2k0f s LEU 112 Cb -0.08 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.63 2k0f s LEU 112 CO -0.13 0.12 0.88 0.42 0.23 0.00 0.00 176.35 177.86 2k0f s THR 113 N -1.57 2.54 0.17 5.49 -4.23 -1.26 -4.93 115.64 111.84 2k0f s THR 113 Ca 0.31 -0.48 0.18 0.00 -1.18 0.00 0.00 61.69 60.52 2k0f s THR 113 Cb -0.11 -3.02 0.12 0.00 1.34 0.00 0.00 72.50 70.83 2k0f s THR 113 CO 0.24 -0.01 1.72 0.44 -0.54 0.00 0.00 174.62 176.46 2k0f h ASP 114 N -0.21 0.00 0.05 3.99 5.19 -1.99 -1.46 116.42 121.98 2k0f h ASP 114 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2k0f h ASP 114 Cb 1.30 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.81 2k0f h ASP 114 CO 0.56 0.39 -0.05 -0.33 -3.12 0.00 0.00 179.24 176.69 2k0f h GLU 115 N 0.00 -0.11 -0.89 3.56 3.07 -1.99 -2.45 114.58 115.77 2k0f h GLU 115 Ca -0.00 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2k0f h GLU 115 Cb 0.92 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.81 2k0f h GLU 115 CO 0.05 -0.07 0.53 0.93 -1.40 0.00 0.00 179.01 179.05 2k0f h GLU 116 N -0.11 1.21 -0.46 2.33 4.39 -1.79 -0.56 114.58 119.60 2k0f h GLU 116 Ca 0.00 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 2k0f h GLU 116 Cb 0.11 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 2k0f h GLU 116 CO -0.01 0.85 0.10 0.28 -1.16 0.00 0.00 179.01 179.06 2k0f h VAL 117 N 1.23 1.24 0.78 3.13 2.07 -1.27 -2.36 116.25 121.06 2k0f h VAL 117 Ca 0.32 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 2k0f h VAL 117 Cb -0.04 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2k0f h VAL 117 CO -0.06 0.30 -0.43 -0.78 0.02 0.00 0.00 177.57 176.63 2k0f h ASP 118 N 0.62 -1.04 -1.01 0.57 3.58 -1.09 -3.15 116.42 114.89 2k0f h ASP 118 Ca 0.14 0.05 0.25 0.00 0.42 0.00 0.00 57.03 57.89 2k0f h ASP 118 Cb 0.35 0.29 -0.12 0.00 1.72 0.00 0.00 39.33 41.57 2k0f h ASP 118 CO 0.00 -0.69 0.60 -0.08 -2.88 0.00 0.00 179.24 176.20 2k0f h GLU 119 N -1.11 0.53 0.01 0.28 4.81 -1.11 -1.68 114.58 116.31 2k0f h GLU 119 Ca -0.10 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 119 Cb 0.88 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.09 2k0f h GLU 119 CO 0.14 0.35 -0.28 1.98 -0.73 0.00 0.00 179.01 180.47 2k0f h MET 120 N 0.55 -0.41 -0.24 1.92 4.05 -1.38 -2.93 114.93 116.48 2k0f h MET 120 Ca 0.65 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 60.14 2k0f h MET 120 Cb 1.29 0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 32.11 2k0f h MET 120 CO -0.47 -0.28 -0.46 0.82 0.23 0.00 0.00 176.91 176.76 2k0f h ILE 121 N -0.43 0.09 -1.41 1.77 1.08 -1.32 -2.20 117.51 115.09 2k0f h ILE 121 Ca 0.06 0.00 0.41 0.00 -0.39 0.00 0.00 64.86 64.94 2k0f h ILE 121 Cb 0.51 0.09 -0.06 0.00 -3.07 0.00 0.00 36.82 34.29 2k0f h ILE 121 CO -0.23 0.00 1.01 0.03 -0.69 0.00 0.00 178.15 178.27 2k0f h ARG 122 N -0.45 0.02 -0.48 2.37 3.08 -1.48 -2.03 114.38 115.42 2k0f h ARG 122 Ca 0.09 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 2k0f h ARG 122 Cb 0.62 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 2k0f h ARG 122 CO -0.48 0.02 -0.23 1.49 -1.07 0.00 0.00 179.97 179.69 2k0f h GLU 123 N 0.02 1.00 0.05 0.04 4.81 -1.20 -3.22 114.58 116.08 2k0f h GLU 123 Ca 0.68 -0.44 -0.29 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 123 Cb 2.67 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 31.99 2k0f h GLU 123 CO -0.04 1.12 -1.58 0.00 -0.73 0.00 0.00 179.01 177.78 2k0f h ALA 124 N 0.86 0.50 -1.49 2.92 0.00 -1.59 -3.46 119.26 116.99 2k0f h ALA 124 Ca 0.11 -1.26 -0.51 0.00 0.00 0.00 0.00 54.91 53.25 2k0f h ALA 124 Cb 0.82 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2k0f h ALA 124 CO 0.07 1.36 1.32 0.34 0.00 0.00 0.00 179.25 182.34 2k0f s ASP 125 N -6.60 5.38 -0.13 0.00 2.15 -0.79 -4.77 116.67 111.91 2k0f s ASP 125 Ca -0.07 0.30 -0.25 0.00 0.43 0.00 0.00 52.55 52.96 2k0f s ASP 125 Cb 0.08 -2.53 -0.22 0.00 -0.30 0.00 0.00 42.92 39.95 2k0f s ASP 125 CO 0.83 -2.30 0.68 0.40 -0.17 0.00 0.00 175.17 174.61 2k0f h ILE 126 N 6.80 1.51 0.00 4.11 2.04 -1.90 -3.46 117.51 126.62 2k0f h ILE 126 Ca -0.26 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.51 2k0f h ILE 126 Cb 1.15 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 40.06 2k0f h ILE 126 CO 1.22 0.50 0.00 -0.90 0.00 0.00 0.00 178.15 178.97 2k0f n ASP 127 N -4.65 0.00 0.00 1.72 5.68 -1.26 -4.96 116.55 113.08 2k0f n ASP 127 Ca -0.08 0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 2k0f n ASP 127 Cb 0.40 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 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 0.45 0.00 0.08 6.12 0.00 -1.26 -5.03 105.19 105.54 2k0f n GLY 128 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 0.07 0.00 1.61 5.75 -1.26 -4.98 116.55 117.74 2k0f n ASP 129 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 2k0f n ASP 129 Cb 0.00 1.18 0.00 0.00 -1.03 0.00 0.00 41.12 41.27 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 1.60 0.65 3.18 6.12 0.00 -1.26 -5.07 105.19 110.41 2k0f n GLY 130 Ca -0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.94 2.36 -0.15 1.61 -0.21 -1.26 -4.81 119.66 116.26 2k0f s GLN 131 Ca 0.00 -0.75 -0.29 0.00 0.02 0.00 0.00 55.36 54.34 2k0f s GLN 131 Cb 0.00 -1.93 -0.01 0.00 1.00 0.00 0.00 33.01 32.07 2k0f s GLN 131 CO 0.00 0.24 1.18 0.08 -2.12 0.00 0.00 175.29 174.66 2k0f s VAL 132 N 0.14 4.41 0.38 1.09 1.01 -1.04 -4.72 120.40 121.68 2k0f s VAL 132 Ca -0.09 1.71 0.04 0.00 0.00 0.00 0.00 61.98 63.63 2k0f s VAL 132 Cb -0.15 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.18 2k0f s VAL 132 CO 0.05 -0.10 0.34 -0.46 0.00 0.00 0.00 175.10 174.93 2k0f n ASN 133 N 6.04 2.02 -0.05 3.32 0.23 -1.26 -0.09 115.26 125.46 2k0f n ASN 133 Ca 0.12 -2.24 -0.13 0.00 -0.53 0.00 0.00 54.58 51.80 2k0f n ASN 133 Cb 0.46 -0.09 -0.07 0.00 -2.08 0.00 0.00 39.78 38.00 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N 0.49 0.43 -0.28 -2.53 3.20 -1.97 -1.39 116.97 114.91 2k0f h TYR 134 Ca -0.23 -0.13 -0.11 0.00 3.14 0.00 0.00 58.73 61.41 2k0f h TYR 134 Cb 0.87 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 2k0f h TYR 134 CO 0.00 0.74 -0.27 1.49 -1.64 0.00 0.00 178.16 178.49 2k0f h GLU 135 N -0.01 0.56 -0.47 1.82 4.57 -1.96 0.14 114.58 119.22 2k0f h GLU 135 Ca 0.02 -0.22 -0.05 0.00 -1.18 0.00 0.00 59.36 57.93 2k0f h GLU 135 Cb 0.67 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 2k0f h GLU 135 CO 0.04 0.77 0.09 0.93 -1.18 0.00 0.00 179.01 179.66 2k0f h GLU 136 N 0.49 0.71 -0.01 1.92 5.08 -1.85 -0.78 114.58 120.14 2k0f h GLU 136 Ca 0.07 -0.14 -0.23 0.00 -1.00 0.00 0.00 59.36 58.06 2k0f h GLU 136 Cb 0.72 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2k0f h GLU 136 CO 0.06 0.66 -0.94 0.35 -1.00 0.00 0.00 179.01 178.14 2k0f h PHE 137 N 0.69 0.66 0.00 4.33 3.57 -0.56 -1.75 116.94 123.88 2k0f h PHE 137 Ca 0.15 -0.36 -0.12 0.00 3.53 0.00 0.00 57.97 61.17 2k0f h PHE 137 Cb 0.29 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 2k0f h PHE 137 CO 0.01 1.17 -0.59 0.28 -2.23 0.00 0.00 178.31 176.96 2k0f h VAL 138 N 0.25 1.08 0.00 1.41 2.07 -0.41 -3.18 116.25 117.46 2k0f h VAL 138 Ca -0.08 -2.36 -0.19 0.00 0.82 0.00 0.00 66.70 64.89 2k0f h VAL 138 Cb 1.58 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 33.74 2k0f h VAL 138 CO 0.17 0.58 -0.91 -0.61 0.02 0.00 0.00 177.57 176.82 2k0f h GLN 139 N 0.00 0.00 -0.34 1.57 5.75 -1.12 -3.20 115.11 117.77 2k0f h GLN 139 Ca -0.01 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 2k0f h GLN 139 Cb 1.37 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.91 2k0f h GLN 139 CO 0.08 0.91 0.09 1.98 -2.65 0.00 0.00 178.83 179.24 2k0f h MET 140 N 0.00 0.50 -0.06 1.69 4.05 -1.30 -3.37 114.93 116.43 2k0f h MET 140 Ca -0.01 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 2k0f h MET 140 Cb 1.61 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 32.32 2k0f h MET 140 CO 0.12 0.45 -0.07 1.98 0.23 0.00 0.00 176.91 179.62 2k0f h MET 141 N 0.49 0.16 -0.01 0.39 1.85 -1.54 -3.52 114.93 112.76 2k0f h MET 141 Ca 0.12 -0.09 0.00 0.00 -0.61 0.00 0.00 59.70 59.12 2k0f h MET 141 Cb 0.18 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.21 2k0f h MET 141 CO -0.01 0.61 0.00 2.41 -0.40 0.00 0.00 176.91 179.52