#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 -0.03 -4.01 1.09 4.81 -2.02 -3.46 114.58 110.96 2k0f h GLU 2 Ca 0.00 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.74 2k0f h GLU 2 Cb 0.00 0.01 -0.37 0.00 0.63 0.00 0.00 28.75 29.01 2k0f h GLU 2 CO 0.00 -0.02 -0.79 -2.00 -0.73 0.00 0.00 179.01 175.47 2k0f s GLU 3 N -2.38 1.15 0.00 1.92 2.56 -1.26 -5.10 118.70 115.59 2k0f s GLU 3 Ca -0.00 -0.12 -0.25 0.00 0.00 0.00 0.00 54.97 54.60 2k0f s GLU 3 Cb 0.00 -1.36 -0.18 0.00 2.00 0.00 0.00 34.13 34.60 2k0f s GLU 3 CO 0.01 -0.29 1.27 0.37 -0.56 0.00 0.00 175.26 176.07 2k0f h GLN 4 N 8.24 -0.21 -0.47 4.30 5.75 -2.00 0.11 115.11 130.84 2k0f h GLN 4 Ca -0.26 0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.15 2k0f h GLN 4 Cb 1.13 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.71 2k0f h GLN 4 CO 0.35 0.14 -0.13 0.82 -2.65 0.00 0.00 178.83 177.36 2k0f h ILE 5 N -0.59 1.26 -0.09 2.39 1.08 -2.01 -2.01 117.51 117.55 2k0f h ILE 5 Ca -0.02 -1.24 -0.06 0.00 -0.39 0.00 0.00 64.86 63.14 2k0f h ILE 5 Cb 0.45 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 2k0f h ILE 5 CO 0.04 0.43 -0.24 0.00 -0.69 0.00 0.00 178.15 177.68 2k0f h ALA 6 N 1.06 1.44 -0.01 1.87 0.00 -1.93 -2.46 119.26 119.23 2k0f h ALA 6 Ca 0.12 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2k0f h ALA 6 Cb 0.65 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2k0f h ALA 6 CO 0.05 0.40 -0.18 1.49 0.00 0.00 0.00 179.25 181.01 2k0f h GLU 7 N 0.14 -0.28 -0.62 0.00 4.81 0.00 0.13 114.58 118.76 2k0f h GLU 7 Ca 0.02 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 7 Cb 0.51 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2k0f h GLU 7 CO 0.04 -0.19 0.12 0.74 -0.73 0.00 0.00 179.01 178.99 2k0f h PHE 8 N -0.29 1.08 -0.22 0.92 0.04 -1.55 -3.01 116.94 113.91 2k0f h PHE 8 Ca 0.06 -0.14 -0.10 0.00 2.80 0.00 0.00 57.97 60.59 2k0f h PHE 8 Cb 0.37 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 2k0f h PHE 8 CO -0.24 0.91 -0.30 -0.22 -0.60 0.00 0.00 178.31 177.87 2k0f h LYS 9 N 0.93 0.44 -0.42 1.51 3.64 -1.11 -1.72 116.57 119.84 2k0f h LYS 9 Ca 0.19 -0.18 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 2k0f h LYS 9 Cb 0.40 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2k0f h LYS 9 CO 0.01 0.70 -0.26 0.93 -2.27 0.00 0.00 179.45 178.55 2k0f h GLU 10 N 0.38 0.88 0.00 1.90 4.39 -0.61 0.26 114.58 121.78 2k0f h GLU 10 Ca 0.05 -0.39 -0.07 0.00 0.34 0.00 0.00 59.36 59.29 2k0f h GLU 10 Cb 0.72 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2k0f h GLU 10 CO 0.06 1.04 -0.60 0.00 -1.16 0.00 0.00 179.01 178.34 2k0f h ALA 11 N 0.94 0.73 0.06 3.43 0.00 -1.50 -2.71 119.26 120.22 2k0f h ALA 11 Ca 0.09 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k0f h ALA 11 Cb 0.81 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2k0f h ALA 11 CO 0.07 0.43 -0.03 0.35 0.00 0.00 0.00 179.25 180.07 2k0f h PHE 12 N 0.00 -0.07 -0.79 0.00 3.57 -0.95 -2.95 116.94 115.75 2k0f h PHE 12 Ca -0.03 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.55 2k0f h PHE 12 Cb 1.27 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.96 2k0f h PHE 12 CO 0.00 0.17 0.45 1.03 -2.23 0.00 0.00 178.31 177.72 2k0f h SER 13 N -0.31 0.65 -0.29 0.41 0.87 -0.46 -2.94 113.55 111.48 2k0f h SER 13 Ca -0.01 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.65 2k0f h SER 13 Cb 0.27 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.09 2k0f h SER 13 CO 0.01 0.39 -0.07 0.25 -0.53 0.00 0.00 176.83 176.88 2k0f h LEU 14 N 0.78 -0.27 -1.93 2.23 5.85 -1.44 -0.98 115.31 119.55 2k0f h LEU 14 Ca 0.37 0.09 0.31 0.00 0.84 0.00 0.00 57.88 59.49 2k0f h LEU 14 Cb 0.31 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2k0f h LEU 14 CO -0.23 -0.10 0.83 -0.26 -0.34 0.00 0.00 178.44 178.35 2k0f h PHE 15 N 0.00 0.00 -3.51 1.25 0.04 -1.34 -3.43 116.94 109.95 2k0f h PHE 15 Ca 0.14 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.30 2k0f h PHE 15 Cb 0.21 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.25 2k0f h PHE 15 CO -0.28 0.00 0.27 0.34 -0.60 0.00 0.00 178.31 178.04 2k0f s ASP 16 N -5.03 6.55 0.18 2.17 2.15 -0.37 -4.75 116.67 117.56 2k0f s ASP 16 Ca -0.05 0.44 0.26 0.00 0.43 0.00 0.00 52.55 53.62 2k0f s ASP 16 Cb 0.21 -2.37 0.68 0.00 -0.30 0.00 0.00 42.92 41.15 2k0f s ASP 16 CO 0.75 -0.59 1.65 0.29 -0.17 0.00 0.00 175.17 177.09 2k0f n LYS 17 N 6.12 0.27 -0.09 4.34 5.02 -1.26 -3.99 118.16 128.56 2k0f n LYS 17 Ca 0.01 0.18 -0.13 0.00 -2.02 0.00 0.00 58.31 56.35 2k0f n LYS 17 Cb 0.48 -1.77 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 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 -2.21 1.88 0.00 4.39 8.00 -1.26 -5.04 116.55 122.31 2k0f n ASP 18 Ca 0.05 0.46 0.00 0.00 0.71 0.00 0.00 54.79 56.01 2k0f n ASP 18 Cb 0.43 -0.84 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 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 1.82 0.00 0.44 0.00 -1.26 -5.11 105.19 102.56 2k0f n GLY 19 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.00 1.61 5.75 -1.26 -5.05 116.55 117.60 2k0f n ASP 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2k0f n ASP 20 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 5.00 -1.34 2.90 6.12 0.00 -1.26 -5.09 105.19 111.51 2k0f n GLY 21 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N 0.00 0.27 -0.22 2.61 -4.23 -1.26 -4.20 115.64 108.61 2k0f s THR 22 Ca 0.00 -0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 60.32 2k0f s THR 22 Cb 0.00 -0.27 -0.05 0.00 1.34 0.00 0.00 72.50 73.53 2k0f s THR 22 CO 0.00 0.10 0.12 -0.63 -0.54 0.00 0.00 174.62 173.68 2k0f s ILE 23 N 0.22 5.14 0.54 2.99 1.01 -0.78 -5.00 121.20 125.33 2k0f s ILE 23 Ca -0.02 0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.82 2k0f s ILE 23 Cb -0.05 -3.37 0.07 0.00 0.01 0.00 0.00 42.46 39.12 2k0f s ILE 23 CO -0.00 0.39 0.75 0.42 0.00 0.00 0.00 174.94 176.49 2k0f s THR 24 N 0.84 2.31 0.23 2.92 -4.23 -1.26 -2.99 115.64 113.46 2k0f s THR 24 Ca 0.06 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 2k0f s THR 24 Cb -0.13 -2.31 -0.01 0.00 1.34 0.00 0.00 72.50 71.38 2k0f s THR 24 CO 0.02 0.00 1.59 0.71 -0.54 0.00 0.00 174.62 176.40 2k0f h THR 25 N 0.27 1.32 -0.35 3.99 1.35 -1.92 -0.75 112.91 116.82 2k0f h THR 25 Ca -0.32 -1.67 -0.14 0.00 -0.55 0.00 0.00 66.41 63.73 2k0f h THR 25 Cb 1.29 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 69.38 2k0f h THR 25 CO 0.42 0.51 -0.36 0.07 -0.25 0.00 0.00 175.52 175.92 2k0f h LYS 26 N 0.37 0.80 0.32 4.72 2.10 -1.97 -0.59 116.57 122.31 2k0f h LYS 26 Ca 0.02 -0.39 -0.02 0.00 -2.00 0.00 0.00 60.65 58.26 2k0f h LYS 26 Cb 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 2k0f h LYS 26 CO 0.08 1.02 -0.15 0.93 -2.00 0.00 0.00 179.45 179.34 2k0f h GLU 27 N 0.66 -0.41 0.00 0.07 5.08 -1.70 -1.11 114.58 117.18 2k0f h GLU 27 Ca 0.06 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 27 Cb 0.91 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 2k0f h GLU 27 CO 0.08 -0.08 -0.50 1.25 -1.00 0.00 0.00 179.01 178.76 2k0f h LEU 28 N -0.90 -1.54 -0.54 1.33 5.85 -1.31 -1.21 115.31 116.99 2k0f h LEU 28 Ca -0.04 0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.93 2k0f h LEU 28 Cb 0.52 0.58 -0.10 0.00 0.37 0.00 0.00 40.66 42.03 2k0f h LEU 28 CO 0.07 -0.49 -0.44 1.23 -0.34 0.00 0.00 178.44 178.47 2k0f h GLY 29 N -0.63 -0.51 0.69 3.75 0.00 -1.17 0.21 103.07 105.40 2k0f h GLY 29 Ca 0.01 0.57 0.10 0.00 0.00 0.00 0.00 47.33 48.01 2k0f h GLY 29 CO -0.33 -0.16 0.59 -0.84 0.00 0.00 0.00 176.54 175.80 2k0f h THR 30 N -0.25 0.97 0.64 4.70 2.02 -1.09 0.17 112.91 120.06 2k0f h THR 30 Ca 0.17 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 2k0f h THR 30 Cb 0.57 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2k0f h THR 30 CO -0.66 0.17 -0.31 0.58 0.37 0.00 0.00 175.52 175.67 2k0f h VAL 31 N 0.91 0.00 -0.70 3.16 2.07 0.09 -2.06 116.25 119.72 2k0f h VAL 31 Ca 0.43 -0.16 0.13 0.00 0.82 0.00 0.00 66.70 67.91 2k0f h VAL 31 Cb 0.41 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.05 2k0f h VAL 31 CO -0.19 0.00 -0.27 0.24 0.02 0.00 0.00 177.57 177.37 2k0f h MET 32 N -1.02 -0.07 -1.00 1.57 2.86 -0.75 -2.08 114.93 114.43 2k0f h MET 32 Ca -0.09 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.62 2k0f h MET 32 Cb 0.66 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.27 2k0f h MET 32 CO 0.14 -0.05 0.65 -0.09 1.06 0.00 0.00 176.91 178.63 2k0f h ARG 33 N -0.08 1.16 -0.22 1.72 2.43 -0.70 -2.51 114.38 116.19 2k0f h ARG 33 Ca 0.30 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 2k0f h ARG 33 Cb 0.55 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2k0f h ARG 33 CO -0.75 0.77 -0.05 0.77 -1.51 0.00 0.00 179.97 179.20 2k0f h SER 34 N 1.20 0.31 0.52 -3.80 0.02 -0.71 -3.23 113.55 107.86 2k0f h SER 34 Ca 0.43 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.30 2k0f h SER 34 Cb 0.14 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.60 2k0f h SER 34 CO -0.16 0.41 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.62 2k0f h LEU 35 N 0.32 -0.59 0.00 5.07 3.38 -1.26 -3.45 115.31 118.77 2k0f h LEU 35 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k0f h LEU 35 Cb 0.31 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2k0f h LEU 35 CO 0.01 -0.20 0.00 0.61 0.09 0.00 0.00 178.44 178.96 2k0f n GLY 36 N -0.26 0.00 3.45 0.83 0.00 -1.03 -5.09 105.19 103.09 2k0f n GLY 36 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 1.63 -0.41 1.61 -0.21 -0.97 -5.01 119.66 116.30 2k0f s GLN 37 Ca 0.00 -1.87 0.02 0.00 0.02 0.00 0.00 55.36 53.53 2k0f s GLN 37 Cb 0.00 -1.05 0.12 0.00 1.00 0.00 0.00 33.01 33.09 2k0f s GLN 37 CO 0.00 -0.08 0.19 -0.80 -2.12 0.00 0.00 175.29 172.48 2k0f s ASN 38 N -3.48 3.86 0.17 5.90 0.01 -1.26 -4.17 114.94 115.96 2k0f s ASN 38 Ca 0.33 -2.39 -0.01 0.00 -0.71 0.00 0.00 52.86 50.08 2k0f s ASN 38 Cb 0.07 -1.08 -0.04 0.00 0.41 0.00 0.00 41.25 40.61 2k0f s ASN 38 CO 0.14 -0.31 0.36 -2.16 -1.51 0.00 0.00 177.10 173.62 2k0f s PRO 39 N 0.64 3.53 0.31 -0.60 0.04 -1.26 -5.08 135.00 132.58 2k0f s PRO 39 Ca 0.15 -0.31 0.07 0.00 0.04 0.00 0.00 61.00 60.95 2k0f s PRO 39 Cb -0.23 -2.87 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 2k0f s PRO 39 CO -0.06 0.45 0.31 0.95 0.04 0.00 0.00 177.00 178.68 2k0f s THR 40 N -1.77 3.96 0.15 1.26 -4.23 -1.26 -4.99 115.64 108.75 2k0f s THR 40 Ca 0.38 -1.29 -0.03 0.00 -1.18 0.00 0.00 61.69 59.57 2k0f s THR 40 Cb -0.11 -3.32 -0.15 0.00 1.34 0.00 0.00 72.50 70.25 2k0f s THR 40 CO 0.28 -0.22 1.35 -0.08 -0.54 0.00 0.00 174.62 175.41 2k0f h GLU 41 N 1.24 0.42 -0.47 3.99 4.81 -1.97 0.18 114.58 122.77 2k0f h GLU 41 Ca -0.46 -0.41 0.09 0.00 -0.13 0.00 0.00 59.36 58.46 2k0f h GLU 41 Cb 1.25 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.65 2k0f h GLU 41 CO 0.58 1.06 -0.04 0.00 -0.73 0.00 0.00 179.01 179.88 2k0f h ALA 42 N 0.81 0.40 0.99 2.92 0.00 -1.99 -1.19 119.26 121.20 2k0f h ALA 42 Ca -0.06 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2k0f h ALA 42 Cb 1.46 0.28 0.01 0.00 0.00 0.00 0.00 17.79 19.55 2k0f h ALA 42 CO 0.15 -0.41 -0.49 0.93 0.00 0.00 0.00 179.25 179.43 2k0f h GLU 43 N 0.07 -1.29 -1.01 0.00 5.08 -1.89 -2.98 114.58 112.55 2k0f h GLU 43 Ca 0.23 0.09 0.24 0.00 -1.00 0.00 0.00 59.36 58.92 2k0f h GLU 43 Cb 0.36 0.29 -0.11 0.00 0.50 0.00 0.00 28.75 29.79 2k0f h GLU 43 CO -0.43 -0.86 0.62 -0.07 -1.00 0.00 0.00 179.01 177.26 2k0f h LEU 44 N -1.34 0.65 0.21 1.33 3.38 -0.64 0.12 115.31 119.02 2k0f h LEU 44 Ca -0.13 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2k0f h LEU 44 Cb 1.03 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2k0f h LEU 44 CO 0.21 0.14 -0.10 -0.61 0.09 0.00 0.00 178.44 178.17 2k0f h GLN 45 N 0.58 -0.27 -0.80 1.13 4.15 -1.31 -0.48 115.11 118.11 2k0f h GLN 45 Ca 0.62 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 60.04 2k0f h GLN 45 Cb 1.21 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.92 2k0f h GLN 45 CO -0.41 -0.15 0.45 0.22 -1.93 0.00 0.00 178.83 177.00 2k0f h ASP 46 N -0.32 0.99 0.61 -0.69 3.58 -0.64 0.77 116.42 120.73 2k0f h ASP 46 Ca -0.03 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.31 2k0f h ASP 46 Cb 0.24 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2k0f h ASP 46 CO 0.05 0.79 -0.39 0.24 -2.88 0.00 0.00 179.24 177.05 2k0f h MET 47 N 1.11 -0.92 -0.41 0.28 2.86 -1.29 -2.53 114.93 114.03 2k0f h MET 47 Ca 0.28 0.06 0.09 0.00 -2.06 0.00 0.00 59.70 58.07 2k0f h MET 47 Cb 0.01 0.21 -0.09 0.00 0.06 0.00 0.00 31.60 31.80 2k0f h MET 47 CO -0.05 -0.62 -0.18 0.82 1.06 0.00 0.00 176.91 177.95 2k0f h ILE 48 N -0.96 0.44 0.00 -1.22 1.08 -0.60 -2.66 117.51 113.60 2k0f h ILE 48 Ca -0.08 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 2k0f h ILE 48 Cb 0.78 0.44 -0.00 0.00 -3.07 0.00 0.00 36.82 34.97 2k0f h ILE 48 CO 0.07 0.00 -0.06 0.78 -0.69 0.00 0.00 178.15 178.24 2k0f h ASN 49 N -0.10 0.00 -0.07 1.72 2.35 -0.83 -0.56 115.58 118.10 2k0f h ASN 49 Ca 0.20 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.79 2k0f h ASN 49 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 2k0f h ASN 49 CO -0.48 0.06 -0.50 -0.08 -1.65 0.00 0.00 177.43 174.79 2k0f h GLU 50 N 0.00 0.63 -0.08 0.81 4.81 -1.10 -3.16 114.58 116.50 2k0f h GLU 50 Ca -0.00 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2k0f h GLU 50 Cb 0.14 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2k0f h GLU 50 CO 0.01 0.98 0.00 1.33 -0.73 0.00 0.00 179.01 180.60 2k0f n VAL 51 N -3.99 0.09 -2.81 0.32 0.24 -0.66 -4.89 118.33 106.62 2k0f n VAL 51 Ca -0.03 -0.30 -0.42 0.00 -2.04 0.00 0.00 64.34 61.55 2k0f n VAL 51 Cb 0.58 0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 33.40 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 -1.83 7.13 -0.10 -1.34 -1.08 -0.31 -4.87 116.67 114.28 2k0f s ASP 52 Ca 0.36 1.38 -0.05 0.00 -0.52 0.00 0.00 52.55 53.72 2k0f s ASP 52 Cb 0.20 -2.50 -0.04 0.00 -1.46 0.00 0.00 42.92 39.11 2k0f s ASP 52 CO 0.31 -0.35 -0.14 0.00 0.52 0.00 0.00 175.17 175.51 2k0f n ALA 53 N 4.71 2.30 0.22 3.66 0.00 -1.26 -4.68 120.51 125.47 2k0f n ALA 53 Ca 0.05 -0.41 0.11 0.00 0.00 0.00 0.00 53.44 53.20 2k0f n ALA 53 Cb 0.49 0.34 0.33 0.00 0.00 0.00 0.00 19.45 20.62 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 -0.38 0.00 -0.23 0.00 3.04 -1.93 -3.48 116.42 113.43 2k0f h ASP 54 Ca -0.24 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 2k0f h ASP 54 Cb 1.14 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.43 2k0f h ASP 54 CO -0.15 0.13 0.00 0.61 -2.04 0.00 0.00 179.24 177.79 2k0f n GLY 55 N 0.67 0.63 0.01 7.15 0.00 -1.26 -4.98 105.19 107.41 2k0f n GLY 55 Ca 0.02 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.38 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 1.71 0.60 0.00 1.61 0.23 -1.26 -4.99 115.26 113.16 2k0f n ASN 56 Ca 0.00 -0.47 0.00 0.00 -0.53 0.00 0.00 54.58 53.58 2k0f n ASN 56 Cb 0.46 1.19 0.00 0.00 -2.08 0.00 0.00 39.78 39.35 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.39 0.79 3.44 4.83 0.00 -1.26 -5.07 105.19 109.31 2k0f n GLY 57 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.16 2.32 -0.07 2.61 -4.23 -1.26 -4.85 115.64 108.00 2k0f s THR 58 Ca 0.00 -2.31 -0.16 0.00 -1.18 0.00 0.00 61.69 58.04 2k0f s THR 58 Cb 0.00 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.57 2k0f s THR 58 CO 0.00 -0.39 0.43 -0.51 -0.54 0.00 0.00 174.62 173.61 2k0f s ILE 59 N -2.44 5.12 0.46 2.99 2.07 -1.16 -4.78 121.20 123.45 2k0f s ILE 59 Ca 0.27 0.87 0.05 0.00 -1.41 0.00 0.00 60.65 60.42 2k0f s ILE 59 Cb -0.05 -3.75 -0.04 0.00 0.13 0.00 0.00 42.46 38.75 2k0f s ILE 59 CO 0.13 0.45 0.07 -1.81 -1.91 0.00 0.00 174.94 171.87 2k0f s ASP 60 N -0.18 4.14 0.16 4.50 1.11 -1.26 -1.86 116.67 123.28 2k0f s ASP 60 Ca 0.24 -1.40 -0.16 0.00 0.18 0.00 0.00 52.55 51.41 2k0f s ASP 60 Cb -0.16 -0.03 0.07 0.00 1.07 0.00 0.00 42.92 43.87 2k0f s ASP 60 CO 0.11 -0.66 1.77 0.15 1.18 0.00 0.00 175.17 177.72 2k0f h PHE 61 N 1.47 0.34 0.00 4.23 3.57 -1.99 0.33 116.94 124.89 2k0f h PHE 61 Ca -0.43 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2k0f h PHE 61 Cb 1.27 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2k0f h PHE 61 CO 1.00 0.17 0.00 -0.35 -2.23 0.00 0.00 178.31 176.90 2k0f n PRO 62 N -4.94 0.10 -0.01 6.41 -0.04 -1.26 0.03 135.00 135.29 2k0f n PRO 62 Ca 0.02 0.19 -0.06 0.00 -0.04 0.00 0.00 63.50 63.60 2k0f n PRO 62 Cb 0.11 -1.64 -0.05 0.00 -0.04 0.00 0.00 33.50 31.88 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 -0.10 -0.78 0.54 5.08 -1.80 -0.64 114.58 116.89 2k0f h GLU 63 Ca 0.00 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 2k0f h GLU 63 Cb 0.47 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.59 2k0f h GLU 63 CO 0.00 0.24 -0.19 0.35 -1.00 0.00 0.00 179.01 178.41 2k0f h PHE 64 N -0.99 -0.41 -0.16 4.33 3.57 -0.59 0.53 116.94 123.23 2k0f h PHE 64 Ca -0.01 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.60 2k0f h PHE 64 Cb 0.39 0.30 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 2k0f h PHE 64 CO 0.08 -0.33 -0.47 1.25 -2.23 0.00 0.00 178.31 176.61 2k0f h LEU 65 N 0.00 -1.50 -1.78 0.59 6.46 -0.48 -2.12 115.31 116.47 2k0f h LEU 65 Ca 0.37 0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 58.29 2k0f h LEU 65 Cb 0.57 0.60 -0.00 0.00 -0.73 0.00 0.00 40.66 41.10 2k0f h LEU 65 CO -0.80 -0.45 -0.16 0.00 -0.62 0.00 0.00 178.44 176.42 2k0f h THR 66 N -0.52 0.76 0.88 1.05 1.03 -0.08 0.99 112.91 117.03 2k0f h THR 66 Ca 0.06 -0.62 -0.04 0.00 -0.01 0.00 0.00 66.41 65.80 2k0f h THR 66 Cb 0.65 1.37 0.01 0.00 -1.07 0.00 0.00 68.15 69.11 2k0f h THR 66 CO -0.43 0.15 -0.42 -0.03 -0.01 0.00 0.00 175.52 174.78 2k0f h MET 67 N 0.00 -1.14 0.00 0.00 1.85 -0.87 -3.32 114.93 111.44 2k0f h MET 67 Ca -0.00 0.08 -0.17 0.00 -0.61 0.00 0.00 59.70 59.00 2k0f h MET 67 Cb 0.36 0.26 -0.03 0.00 0.43 0.00 0.00 31.60 32.62 2k0f h MET 67 CO 0.02 -0.76 -1.30 0.52 -0.40 0.00 0.00 176.91 175.00 2k0f h MET 68 N -1.22 0.00 0.00 0.39 2.86 -0.84 -3.00 114.93 113.11 2k0f h MET 68 Ca -0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2k0f h MET 68 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.57 2k0f h MET 68 CO 0.20 0.35 0.00 0.00 1.06 0.00 0.00 176.91 178.52 2k0f n ALA 69 N -2.38 1.93 -2.29 6.32 0.00 0.29 -4.74 120.51 119.64 2k0f n ALA 69 Ca -0.08 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 2k0f n ALA 69 Cb 0.84 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.70 4.16 -0.08 0.00 3.52 -1.14 -4.97 118.95 117.75 2k0f s ARG 70 Ca 0.15 1.77 -0.30 0.00 -0.13 0.00 0.00 55.73 57.22 2k0f s ARG 70 Cb 0.12 -3.85 -0.02 0.00 -1.56 0.00 0.00 34.95 29.64 2k0f s ARG 70 CO 0.29 -0.82 1.02 0.21 -0.81 0.00 0.00 175.30 175.20 2k0f s LYS 71 N 3.78 4.44 0.46 5.12 2.20 -1.26 -5.00 119.74 129.47 2k0f s LYS 71 Ca 0.61 1.43 0.03 0.00 -0.36 0.00 0.00 55.97 57.68 2k0f s LYS 71 Cb -0.25 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 32.56 2k0f s LYS 71 CO 0.20 -0.27 0.66 -1.64 -0.36 0.00 0.00 175.35 173.94 2k0f s MET 72 N 1.81 2.87 0.49 4.03 -1.94 -1.26 -5.10 119.30 120.20 2k0f s MET 72 Ca 0.50 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.71 2k0f s MET 72 Cb -0.20 -2.61 0.01 0.00 2.01 0.00 0.00 34.83 34.05 2k0f s MET 72 CO 0.21 -0.36 0.72 0.15 -0.01 0.00 0.00 175.02 175.73 2k0f s LYS 73 N -4.53 2.90 0.30 2.03 1.02 -1.26 -4.92 119.74 115.28 2k0f s LYS 73 Ca 0.51 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 56.01 2k0f s LYS 73 Cb -0.10 -2.51 0.47 0.00 -0.52 0.00 0.00 37.83 35.17 2k0f s LYS 73 CO 0.36 -0.43 1.77 -0.44 -0.92 0.00 0.00 175.35 175.69 2k0f h ASP 74 N 0.25 0.50 0.16 2.83 5.19 -1.98 -0.18 116.42 123.19 2k0f h ASP 74 Ca -0.45 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 55.81 2k0f h ASP 74 Cb 1.27 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.64 2k0f h ASP 74 CO 0.56 0.68 -0.08 0.71 -3.12 0.00 0.00 179.24 178.00 2k0f h THR 75 N 0.47 0.97 -0.55 0.35 1.35 -1.99 -2.06 112.91 111.45 2k0f h THR 75 Ca 0.08 -0.72 0.05 0.00 -0.55 0.00 0.00 66.41 65.28 2k0f h THR 75 Cb 0.54 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 68.34 2k0f h THR 75 CO 0.03 0.16 0.37 0.44 -0.25 0.00 0.00 175.52 176.27 2k0f h ASP 76 N -0.57 0.47 -0.56 5.36 3.32 -1.91 -2.46 116.42 120.08 2k0f h ASP 76 Ca -0.02 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2k0f h ASP 76 Cb 0.43 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 2k0f h ASP 76 CO 0.04 0.32 0.22 -1.28 -1.72 0.00 0.00 179.24 176.82 2k0f h SER 77 N 0.55 0.81 1.15 6.45 0.87 -1.00 -2.20 113.55 120.17 2k0f h SER 77 Ca 0.23 -0.11 -0.18 0.00 -1.23 0.00 0.00 61.79 60.50 2k0f h SER 77 Cb 0.23 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 2k0f h SER 77 CO -0.06 0.73 -0.85 -0.08 -0.53 0.00 0.00 176.83 176.04 2k0f h GLU 78 N 0.86 0.00 -0.03 2.24 4.81 -0.93 -2.79 114.58 118.75 2k0f h GLU 78 Ca 0.20 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 78 Cb 0.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2k0f h GLU 78 CO -0.02 0.85 -0.82 0.93 -0.73 0.00 0.00 179.01 179.22 2k0f h GLU 79 N 0.00 0.31 0.22 1.92 4.39 -1.25 -1.00 114.58 119.17 2k0f h GLU 79 Ca -0.01 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 2k0f h GLU 79 Cb 1.65 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 2k0f h GLU 79 CO 0.11 0.97 -0.11 1.49 -1.16 0.00 0.00 179.01 180.32 2k0f h GLU 80 N 0.19 -0.29 -0.07 2.33 4.81 -1.47 -1.78 114.58 118.31 2k0f h GLU 80 Ca -0.04 0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 2k0f h GLU 80 Cb 1.43 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 2k0f h GLU 80 CO 0.13 0.02 -0.60 0.97 -0.73 0.00 0.00 179.01 178.80 2k0f h ILE 81 N -0.61 1.39 -0.16 2.32 6.09 -1.42 -0.69 117.51 124.43 2k0f h ILE 81 Ca -0.03 -1.98 -0.15 0.00 -1.37 0.00 0.00 64.86 61.33 2k0f h ILE 81 Cb 0.44 2.00 -0.01 0.00 0.47 0.00 0.00 36.82 39.72 2k0f h ILE 81 CO 0.05 0.59 -0.53 -0.09 -3.07 0.00 0.00 178.15 175.09 2k0f h ARG 82 N 0.18 0.45 -0.23 2.19 2.43 -1.25 0.65 114.38 118.80 2k0f h ARG 82 Ca -0.01 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 58.84 2k0f h ARG 82 Cb 1.11 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 2k0f h ARG 82 CO 0.09 0.87 -0.03 1.49 -1.51 0.00 0.00 179.97 180.88 2k0f h GLU 83 N 0.35 0.43 -0.07 0.20 4.57 -1.21 -2.90 114.58 115.95 2k0f h GLU 83 Ca 0.01 -0.15 -0.10 0.00 -1.18 0.00 0.00 59.36 57.94 2k0f h GLU 83 Cb 1.05 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 2k0f h GLU 83 CO 0.09 0.64 -0.39 0.00 -1.18 0.00 0.00 179.01 178.17 2k0f h ALA 84 N 0.77 1.21 -0.55 2.92 0.00 -1.02 0.41 119.26 123.00 2k0f h ALA 84 Ca 0.06 -0.39 0.09 0.00 0.00 0.00 0.00 54.91 54.68 2k0f h ALA 84 Cb 0.47 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2k0f h ALA 84 CO 0.02 0.55 0.15 0.35 0.00 0.00 0.00 179.25 180.31 2k0f h PHE 85 N 0.13 0.24 0.00 0.00 3.57 -0.87 -1.81 116.94 118.20 2k0f h PHE 85 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2k0f h PHE 85 Cb 0.76 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2k0f h PHE 85 CO 0.01 0.02 0.00 0.54 -2.23 0.00 0.00 178.31 176.65 2k0f n ARG 86 N -5.08 0.22 -0.14 1.11 1.74 0.03 -1.03 116.66 113.50 2k0f n ARG 86 Ca 0.07 0.40 -0.11 0.00 -0.77 0.00 0.00 57.85 57.45 2k0f n ARG 86 Cb 0.27 -1.89 -0.01 0.00 -1.02 0.00 0.00 32.46 29.81 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k0f h VAL 87 N 0.00 1.27 0.04 1.55 2.07 -0.40 -3.30 116.25 117.48 2k0f h VAL 87 Ca 0.00 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 2k0f h VAL 87 Cb 0.44 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2k0f h VAL 87 CO 0.00 0.37 -0.02 -0.26 0.02 0.00 0.00 177.57 177.67 2k0f h PHE 88 N 0.56 -0.05 -2.99 1.57 0.04 -0.93 -3.42 116.94 111.72 2k0f h PHE 88 Ca 0.11 -0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.31 2k0f h PHE 88 Cb 0.53 0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.66 2k0f h PHE 88 CO 0.04 0.39 1.06 0.34 -0.60 0.00 0.00 178.31 179.54 2k0f s ASP 89 N -5.58 6.49 -0.13 2.17 2.15 -0.20 -4.62 116.67 116.94 2k0f s ASP 89 Ca -0.15 1.33 -0.13 0.00 0.43 0.00 0.00 52.55 54.03 2k0f s ASP 89 Cb 0.02 -2.54 -0.11 0.00 -0.30 0.00 0.00 42.92 39.99 2k0f s ASP 89 CO 0.65 -1.22 0.25 0.50 -0.17 0.00 0.00 175.17 175.19 2k0f h LYS 90 N 10.16 0.00 0.00 4.34 3.64 -1.81 -3.40 116.57 129.50 2k0f h LYS 90 Ca -0.30 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 2k0f h LYS 90 Cb 1.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 2k0f h LYS 90 CO 1.03 0.44 -0.29 0.38 -2.27 0.00 0.00 179.45 178.74 2k0f h ASP 91 N -1.00 0.00 0.00 4.20 3.04 -1.92 -3.49 116.42 117.25 2k0f h ASP 91 Ca -0.04 -0.47 0.00 0.00 -3.24 0.00 0.00 57.03 53.28 2k0f h ASP 91 Cb 0.55 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.84 2k0f h ASP 91 CO -0.02 0.90 0.00 0.61 -2.04 0.00 0.00 179.24 178.68 2k0f n GLY 92 N 1.63 0.73 0.18 7.15 0.00 -1.26 -5.04 105.19 108.58 2k0f n GLY 92 Ca -0.10 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.84 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 7.08 -1.95 -3.47 115.58 118.85 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 93 CO 0.00 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.96 2k0f n GLY 94 N 1.13 1.16 3.01 9.14 0.00 -1.26 -5.09 105.19 113.28 2k0f n GLY 94 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.24 0.03 1.61 2.02 -1.26 -4.33 117.35 113.18 2k0f s TYR 95 Ca 0.00 0.61 -0.19 0.00 -0.37 0.00 0.00 57.07 57.12 2k0f s TYR 95 Cb 0.00 0.00 -0.06 0.00 -0.40 0.00 0.00 41.96 41.50 2k0f s TYR 95 CO 0.00 -0.18 0.56 0.42 -1.57 0.00 0.00 175.55 174.78 2k0f s ILE 96 N 0.99 4.85 0.51 2.71 1.01 -0.22 -4.75 121.20 126.31 2k0f s ILE 96 Ca -0.07 1.17 0.04 0.00 0.00 0.00 0.00 60.65 61.79 2k0f s ILE 96 Cb -0.09 -3.89 0.04 0.00 0.01 0.00 0.00 42.46 38.53 2k0f s ILE 96 CO -0.06 0.50 0.30 -1.54 0.00 0.00 0.00 174.94 174.14 2k0f n SER 97 N 2.18 2.83 -0.01 3.58 3.41 -1.26 -1.03 113.62 123.31 2k0f n SER 97 Ca -0.09 -2.87 -0.00 0.00 -0.26 0.00 0.00 58.87 55.64 2k0f n SER 97 Cb 0.51 0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2k0f n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k0f n ALA 98 N -1.81 -0.01 0.22 7.33 0.00 -1.26 -2.00 120.51 122.97 2k0f n ALA 98 Ca -0.17 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.39 2k0f n ALA 98 Cb 0.60 0.32 0.32 0.00 0.00 0.00 0.00 19.45 20.69 2k0f n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k0f h ALA 99 N -0.65 0.94 0.02 0.00 0.00 -1.97 -2.85 119.26 114.75 2k0f h ALA 99 Ca 0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.55 2k0f h ALA 99 Cb 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2k0f h ALA 99 CO -0.02 0.21 -0.94 0.93 0.00 0.00 0.00 179.25 179.43 2k0f h GLU 100 N 0.00 0.21 -0.09 0.00 5.08 -1.82 0.56 114.58 118.51 2k0f h GLU 100 Ca -0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2k0f h GLU 100 Cb 0.92 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2k0f h GLU 100 CO 0.02 1.01 0.05 1.25 -1.00 0.00 0.00 179.01 180.34 2k0f h LEU 101 N 0.11 0.08 -1.17 1.33 5.85 -1.17 -2.89 115.31 117.44 2k0f h LEU 101 Ca -0.06 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2k0f h LEU 101 Cb 1.60 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.61 2k0f h LEU 101 CO 0.15 0.06 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.10 2k0f h ARG 102 N 0.11 0.00 0.29 1.25 2.43 -1.32 -2.68 114.38 114.46 2k0f h ARG 102 Ca 0.04 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2k0f h ARG 102 Cb -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2k0f h ARG 102 CO -0.02 0.12 -0.14 1.25 -1.51 0.00 0.00 179.97 179.67 2k0f h HIS 103 N 0.00 -0.36 -0.11 2.20 2.76 -0.68 -0.92 115.15 118.04 2k0f h HIS 103 Ca -0.00 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.20 2k0f h HIS 103 Cb 0.67 0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.70 2k0f h HIS 103 CO 0.00 -0.03 -0.24 0.28 -1.30 0.00 0.00 177.93 176.64 2k0f h VAL 104 N -0.95 0.42 -0.83 5.26 2.07 -1.54 0.16 116.25 120.84 2k0f h VAL 104 Ca -0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.59 2k0f h VAL 104 Cb 0.50 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 2k0f h VAL 104 CO 0.07 0.00 0.46 0.24 0.02 0.00 0.00 177.57 178.36 2k0f h MET 105 N -0.32 0.72 -0.14 1.57 2.07 -1.53 -1.93 114.93 115.36 2k0f h MET 105 Ca 0.09 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.68 2k0f h MET 105 Cb 0.46 -0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 30.02 2k0f h MET 105 CO -0.29 0.47 0.08 1.15 1.07 0.00 0.00 176.91 179.39 2k0f h THR 106 N 0.74 1.07 -0.91 2.22 2.02 -0.53 -1.18 112.91 116.35 2k0f h THR 106 Ca 0.42 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.44 2k0f h THR 106 Cb 0.46 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 2k0f h THR 106 CO -0.28 0.07 0.60 0.78 0.37 0.00 0.00 175.52 177.05 2k0f h ASN 107 N 0.14 0.98 0.15 4.18 2.35 -0.39 -2.73 115.58 120.25 2k0f h ASN 107 Ca 0.05 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2k0f h ASN 107 Cb 0.04 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.19 2k0f h ASN 107 CO -0.01 0.67 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.30 2k0f h LEU 108 N 1.13 -0.17 0.00 1.61 3.38 -1.27 -3.43 115.31 116.57 2k0f h LEU 108 Ca 0.36 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2k0f h LEU 108 Cb 0.02 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2k0f h LEU 108 CO -0.11 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.19 2k0f n GLY 109 N -0.32 0.82 3.81 0.83 0.00 -0.55 -4.89 105.19 104.88 2k0f n GLY 109 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 4.18 -0.08 1.61 0.41 -0.57 -5.01 118.70 119.24 2k0f s GLU 110 Ca 0.00 1.24 0.02 0.00 -0.41 0.00 0.00 54.97 55.82 2k0f s GLU 110 Cb 0.00 -2.29 -0.02 0.00 -1.78 0.00 0.00 34.13 30.04 2k0f s GLU 110 CO 0.00 -0.08 -0.15 0.15 -0.49 0.00 0.00 175.26 174.69 2k0f s LYS 111 N -2.96 2.86 -0.09 1.61 1.02 -1.26 -4.37 119.74 116.55 2k0f s LYS 111 Ca 0.61 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 55.59 2k0f s LYS 111 Cb -0.13 -2.46 0.12 0.00 -0.52 0.00 0.00 37.83 34.84 2k0f s LYS 111 CO 0.17 0.44 0.98 -0.48 -0.92 0.00 0.00 175.35 175.54 2k0f s LEU 112 N -0.24 -0.33 0.51 3.17 2.34 -1.26 -5.16 118.68 117.71 2k0f s LEU 112 Ca 0.01 0.13 -0.03 0.00 0.06 0.00 0.00 54.13 54.30 2k0f s LEU 112 Cb -0.13 1.86 -0.00 0.00 -0.56 0.00 0.00 46.19 47.36 2k0f s LEU 112 CO 0.03 -0.46 0.78 0.42 -1.06 0.00 0.00 176.35 176.05 2k0f s THR 113 N -2.33 3.99 0.20 5.48 -4.23 -1.26 -5.00 115.64 112.50 2k0f s THR 113 Ca 0.03 -0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.35 2k0f s THR 113 Cb -0.01 -3.52 -0.08 0.00 1.34 0.00 0.00 72.50 70.23 2k0f s THR 113 CO -0.05 -0.46 1.49 0.44 -0.54 0.00 0.00 174.62 175.50 2k0f h ASP 114 N 0.14 0.41 -0.54 3.99 5.19 -2.02 -2.48 116.42 121.11 2k0f h ASP 114 Ca -0.46 -0.25 0.10 0.00 -0.62 0.00 0.00 57.03 55.80 2k0f h ASP 114 Cb 1.25 -0.12 -0.11 0.00 0.18 0.00 0.00 39.33 40.53 2k0f h ASP 114 CO 0.59 0.95 -0.33 -0.08 -3.12 0.00 0.00 179.24 177.26 2k0f h GLU 115 N 0.25 -0.17 -0.43 3.56 4.81 -1.99 -2.01 114.58 118.61 2k0f h GLU 115 Ca -0.02 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2k0f h GLU 115 Cb 1.20 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 2k0f h GLU 115 CO 0.11 -0.12 0.14 0.93 -0.73 0.00 0.00 179.01 179.34 2k0f h GLU 116 N -0.18 0.66 -0.71 1.92 5.08 -1.89 -1.42 114.58 118.03 2k0f h GLU 116 Ca 0.22 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 116 Cb 0.54 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2k0f h GLU 116 CO -0.64 0.64 0.18 0.28 -1.00 0.00 0.00 179.01 178.46 2k0f h VAL 117 N 0.55 1.26 -0.98 3.13 2.07 -1.18 0.25 116.25 121.35 2k0f h VAL 117 Ca 0.14 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.76 2k0f h VAL 117 Cb 0.25 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 2k0f h VAL 117 CO -0.01 0.37 0.63 -0.78 0.02 0.00 0.00 177.57 177.81 2k0f h ASP 118 N 1.08 1.00 0.35 0.57 3.58 -1.38 -1.72 116.42 119.90 2k0f h ASP 118 Ca 0.22 0.01 -0.22 0.00 0.42 0.00 0.00 57.03 57.47 2k0f h ASP 118 Cb 0.37 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 2k0f h ASP 118 CO 0.00 0.63 -0.91 -0.08 -2.88 0.00 0.00 179.24 176.01 2k0f h GLU 119 N 1.12 0.38 -0.26 0.28 4.57 0.09 -1.73 114.58 119.04 2k0f h GLU 119 Ca 0.43 -0.40 -0.17 0.00 -1.18 0.00 0.00 59.36 58.03 2k0f h GLU 119 Cb 0.20 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2k0f h GLU 119 CO -0.17 1.07 -0.54 0.52 -1.18 0.00 0.00 179.01 178.71 2k0f h MET 120 N 0.22 0.76 -0.77 1.92 2.86 -0.62 -1.11 114.93 118.19 2k0f h MET 120 Ca -0.07 -0.47 -0.03 0.00 -2.06 0.00 0.00 59.70 57.07 2k0f h MET 120 Cb 1.53 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 33.21 2k0f h MET 120 CO 0.15 1.10 0.36 0.82 1.06 0.00 0.00 176.91 180.40 2k0f h ILE 121 N 0.59 1.24 -0.62 -1.22 1.08 -1.28 -1.58 117.51 115.71 2k0f h ILE 121 Ca 0.02 -0.70 0.03 0.00 -0.39 0.00 0.00 64.86 63.81 2k0f h ILE 121 Cb 1.12 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 35.10 2k0f h ILE 121 CO 0.11 0.29 0.41 -0.09 -0.69 0.00 0.00 178.15 178.19 2k0f h ARG 122 N 1.10 0.74 -0.35 2.37 2.43 -0.90 0.15 114.38 119.91 2k0f h ARG 122 Ca 0.26 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.24 2k0f h ARG 122 Cb 0.13 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2k0f h ARG 122 CO -0.03 0.49 -0.36 1.49 -1.51 0.00 0.00 179.97 180.04 2k0f h GLU 123 N 0.76 0.86 0.03 0.20 4.81 -0.95 -3.33 114.58 116.96 2k0f h GLU 123 Ca 0.24 -0.46 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2k0f h GLU 123 Cb 0.04 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2k0f h GLU 123 CO -0.06 1.10 -0.01 0.00 -0.73 0.00 0.00 179.01 179.30 2k0f h ALA 124 N 0.74 -0.04 -2.53 2.92 0.00 -0.89 -3.44 119.26 116.02 2k0f h ALA 124 Ca 0.05 -0.28 -0.53 0.00 0.00 0.00 0.00 54.91 54.15 2k0f h ALA 124 Cb 0.95 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.77 2k0f h ALA 124 CO 0.09 -0.23 0.60 0.34 0.00 0.00 0.00 179.25 180.05 2k0f s ASP 125 N -5.74 7.02 -0.23 0.00 2.15 0.00 -4.88 116.67 114.99 2k0f s ASP 125 Ca -0.16 2.14 -0.14 0.00 0.43 0.00 0.00 52.55 54.82 2k0f s ASP 125 Cb 0.01 -2.59 -0.10 0.00 -0.30 0.00 0.00 42.92 39.94 2k0f s ASP 125 CO 0.65 -0.50 -0.33 -0.38 -0.17 0.00 0.00 175.17 174.44 2k0f n ILE 126 N 3.66 1.44 0.25 4.11 2.08 -1.26 -4.81 119.36 124.83 2k0f n ILE 126 Ca 0.09 -0.22 -0.10 0.00 0.56 0.00 0.00 62.75 63.07 2k0f n ILE 126 Cb 0.45 -1.97 -0.05 0.00 -0.75 0.00 0.00 39.64 37.32 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 2k0f h ASP 127 N -0.93 -0.56 0.00 4.38 3.04 -1.95 -3.48 116.42 116.93 2k0f h ASP 127 Ca -0.48 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 2k0f h ASP 127 Cb 1.40 0.14 0.00 0.00 -1.04 0.00 0.00 39.33 39.83 2k0f h ASP 127 CO -0.29 -0.33 0.00 0.61 -2.04 0.00 0.00 179.24 177.19 2k0f n GLY 128 N -0.70 0.27 0.14 7.15 0.00 -1.26 -5.08 105.19 105.70 2k0f n GLY 128 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 1.95 0.00 1.61 5.68 -1.26 -5.03 116.55 119.49 2k0f n ASP 129 Ca 0.00 0.34 0.00 0.00 -0.50 0.00 0.00 54.79 54.63 2k0f n ASP 129 Cb 0.00 -0.83 0.00 0.00 -1.14 0.00 0.00 41.12 39.15 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 130 N 1.29 1.01 3.31 6.12 0.00 -1.26 -5.12 105.19 110.55 2k0f n GLY 130 Ca -0.52 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 2k0f n GLY 130 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 131 N 0.00 1.21 -0.50 1.61 -2.07 -1.26 -4.75 119.66 113.89 2k0f s GLN 131 Ca 0.00 -1.28 -0.16 0.00 -1.82 0.00 0.00 55.36 52.10 2k0f s GLN 131 Cb 0.00 -1.40 0.09 0.00 -1.09 0.00 0.00 33.01 30.62 2k0f s GLN 131 CO 0.00 0.31 0.46 0.08 -1.32 0.00 0.00 175.29 174.81 2k0f s VAL 132 N -1.54 5.19 0.61 3.63 1.01 -0.20 -4.82 120.40 124.28 2k0f s VAL 132 Ca 0.11 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 60.85 2k0f s VAL 132 Cb -0.08 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.10 2k0f s VAL 132 CO 0.05 -0.71 0.91 0.54 0.00 0.00 0.00 175.10 175.89 2k0f s ASN 133 N 3.00 5.41 0.34 3.32 2.20 -1.26 -1.05 114.94 126.90 2k0f s ASN 133 Ca 0.04 0.59 0.11 0.00 -0.94 0.00 0.00 52.86 52.67 2k0f s ASN 133 Cb -0.26 -1.51 1.05 0.00 -2.00 0.00 0.00 41.25 38.53 2k0f s ASN 133 CO 0.06 -1.17 1.58 0.22 -2.94 0.00 0.00 177.10 174.85 2k0f h TYR 134 N -0.22 0.42 -0.75 1.54 3.20 -1.98 0.12 116.97 119.30 2k0f h TYR 134 Ca -0.45 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.43 2k0f h TYR 134 Cb 1.27 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 2k0f h TYR 134 CO 0.43 -0.44 0.30 0.93 -1.64 0.00 0.00 178.16 177.75 2k0f h GLU 135 N 0.03 1.13 -0.43 1.82 5.08 -1.98 -1.29 114.58 118.94 2k0f h GLU 135 Ca 0.72 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 58.75 2k0f h GLU 135 Cb 1.73 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 2k0f h GLU 135 CO -0.83 0.92 -0.23 0.93 -1.00 0.00 0.00 179.01 178.81 2k0f h GLU 136 N 1.09 0.92 0.19 2.33 5.08 -1.42 -2.74 114.58 120.02 2k0f h GLU 136 Ca 0.25 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2k0f h GLU 136 Cb 0.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2k0f h GLU 136 CO -0.02 1.06 -0.09 0.35 -1.00 0.00 0.00 179.01 179.31 2k0f h PHE 137 N 0.75 -0.23 -0.36 4.33 3.57 -0.82 -2.83 116.94 121.35 2k0f h PHE 137 Ca 0.09 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 2k0f h PHE 137 Cb 0.80 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 2k0f h PHE 137 CO 0.06 0.05 -0.11 -0.24 -2.23 0.00 0.00 178.31 175.83 2k0f h VAL 138 N -0.51 1.24 -0.20 1.41 3.04 -1.30 -0.95 116.25 118.99 2k0f h VAL 138 Ca -0.03 -1.08 0.04 0.00 -1.01 0.00 0.00 66.70 64.62 2k0f h VAL 138 Cb 0.39 1.09 -0.04 0.00 -2.01 0.00 0.00 31.29 30.72 2k0f h VAL 138 CO 0.04 0.36 -0.04 -0.61 -1.01 0.00 0.00 177.57 176.31 2k0f h GLN 139 N 0.57 0.01 -0.39 4.17 -0.00 -1.59 -0.72 115.11 117.17 2k0f h GLN 139 Ca 0.10 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.75 2k0f h GLN 139 Cb 0.53 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.99 2k0f h GLN 139 CO 0.03 0.01 0.22 1.98 0.00 0.00 0.00 178.83 181.07 2k0f h MET 140 N 0.01 0.54 0.00 1.69 4.05 -1.22 -3.26 114.93 116.75 2k0f h MET 140 Ca 0.10 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 2k0f h MET 140 Cb 0.14 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.83 2k0f h MET 140 CO -0.20 0.43 -0.28 0.52 0.23 0.00 0.00 176.91 177.61 2k0f h MET 141 N 0.50 0.00 0.00 0.39 2.86 -1.12 -3.52 114.93 114.05 2k0f h MET 141 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2k0f h MET 141 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2k0f h MET 141 CO -0.02 0.05 0.00 0.25 1.06 0.00 0.00 176.91 178.24