#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxa n PRO 2 N 0.00 2.08 -4.73 0.38 -0.04 -1.26 -5.15 135.00 126.28 3kxa n PRO 2 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 3kxa n PRO 2 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 3kxa n PRO 2 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kxa s VAL 3 N 0.15 2.90 -0.03 0.52 -7.23 -1.26 -5.15 120.40 110.30 3kxa s VAL 3 Ca 0.00 -1.03 0.04 0.00 -1.81 0.00 0.00 61.98 59.18 3kxa s VAL 3 Cb 0.00 -2.19 -0.00 0.00 0.56 0.00 0.00 36.38 34.74 3kxa s VAL 3 CO 0.00 0.42 -0.14 0.42 -0.31 0.00 0.00 175.10 175.49 3kxa s THR 4 N -0.87 1.17 -0.16 5.32 -4.23 -1.26 -5.14 115.64 110.47 3kxa s THR 4 Ca 0.14 -0.58 -0.14 0.00 -1.18 0.00 0.00 61.69 59.93 3kxa s THR 4 Cb -0.11 -1.01 -0.05 0.00 1.34 0.00 0.00 72.50 72.68 3kxa s THR 4 CO 0.04 0.34 0.30 -1.00 -0.54 0.00 0.00 174.62 173.76 3kxa s HIS 5 N 0.08 3.46 0.00 3.99 3.76 -1.26 -5.09 115.29 120.23 3kxa s HIS 5 Ca -0.03 0.61 0.07 0.00 -0.15 0.00 0.00 55.06 55.55 3kxa s HIS 5 Cb -0.10 -2.34 -0.03 0.00 1.11 0.00 0.00 32.58 31.22 3kxa s HIS 5 CO 0.01 0.24 -0.20 0.96 -0.85 0.00 0.00 174.74 174.91 3kxa s ILE 6 N 0.45 2.62 -0.05 0.60 -4.36 -1.26 -5.11 121.20 114.09 3kxa s ILE 6 Ca 0.17 -1.07 -0.29 0.00 -0.26 0.00 0.00 60.65 59.20 3kxa s ILE 6 Cb -0.13 -2.03 -0.02 0.00 1.25 0.00 0.00 42.46 41.52 3kxa s ILE 6 CO 0.04 0.47 0.94 -0.75 0.24 0.00 0.00 174.94 175.88 3kxa s LYS 7 N -1.03 4.48 0.12 0.37 2.20 -1.26 -5.05 119.74 119.57 3kxa s LYS 7 Ca 0.12 1.32 0.08 0.00 -0.36 0.00 0.00 55.97 57.13 3kxa s LYS 7 Cb -0.10 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 3kxa s LYS 7 CO 0.02 -0.14 -0.20 0.00 -0.36 0.00 0.00 175.35 174.68 3kxa s LEU 9 N -2.14 4.07 -0.31 0.00 2.96 -0.25 -4.96 118.68 118.03 3kxa s LEU 9 Ca 0.09 0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 54.38 3kxa s LEU 9 Cb -0.09 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.00 3kxa s LEU 9 CO 0.05 -0.23 0.16 -0.60 -1.32 0.00 0.00 176.35 174.41 3kxa s ARG 10 N 2.09 3.39 -0.39 1.98 3.52 -1.26 -0.07 118.95 128.21 3kxa s ARG 10 Ca 0.20 -0.69 0.01 0.00 -0.13 0.00 0.00 55.73 55.12 3kxa s ARG 10 Cb -0.16 -3.59 0.12 0.00 -1.56 0.00 0.00 34.95 29.77 3kxa s ARG 10 CO 0.09 -0.40 0.19 -1.50 -0.81 0.00 0.00 175.30 172.87 3kxa s ILE 11 N 1.63 1.13 -0.73 4.11 2.07 -0.26 -4.93 121.20 124.22 3kxa s ILE 11 Ca 0.05 -2.11 -0.02 0.00 -1.41 0.00 0.00 60.65 57.16 3kxa s ILE 11 Cb -0.17 -1.81 0.00 0.00 0.13 0.00 0.00 42.46 40.61 3kxa s ILE 11 CO 0.07 -0.83 0.68 -3.20 -1.91 0.00 0.00 174.94 169.74 3kxa n ASN 12 N 4.01 -7.26 -1.40 4.50 2.85 -1.26 -3.58 115.26 113.12 3kxa n ASN 12 Ca 0.06 -0.19 -0.14 0.00 -0.11 0.00 0.00 54.58 54.20 3kxa n ASN 12 Cb 0.37 -4.62 -0.02 0.00 1.24 0.00 0.00 39.78 36.75 3kxa n ASN 12 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3kxa n GLY 13 N -1.62 0.27 3.23 8.20 0.00 -1.26 -4.99 105.19 109.02 3kxa n GLY 13 Ca -0.05 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 3kxa n GLY 13 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kxa s GLN 14 N -4.24 0.37 -0.16 1.61 0.74 -1.23 -5.15 119.66 111.59 3kxa s GLN 14 Ca 0.00 0.67 -0.05 0.00 0.05 0.00 0.00 55.36 56.02 3kxa s GLN 14 Cb 0.00 0.02 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 3kxa s GLN 14 CO 0.00 -0.13 0.02 0.42 -0.55 0.00 0.00 175.29 175.05 3kxa s ILE 15 N 1.05 4.44 -0.28 -2.34 1.01 -1.26 -1.11 121.20 122.72 3kxa s ILE 15 Ca -0.07 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.44 3kxa s ILE 15 Cb -0.07 -2.96 0.07 0.00 0.01 0.00 0.00 42.46 39.51 3kxa s ILE 15 CO -0.08 0.50 -0.03 -0.75 0.00 0.00 0.00 174.94 174.57 3kxa s LYS 16 N 0.13 1.71 -0.17 2.79 2.20 0.89 -4.96 119.74 122.34 3kxa s LYS 16 Ca 0.02 -1.37 0.07 0.00 -0.36 0.00 0.00 55.97 54.34 3kxa s LYS 16 Cb -0.13 -2.81 -0.16 0.00 -1.51 0.00 0.00 37.83 33.22 3kxa s LYS 16 CO 0.01 -0.72 -0.07 0.00 -0.36 0.00 0.00 175.35 174.22 3kxa s VAL 18 N -2.38 4.88 -0.52 0.00 1.01 -1.26 -4.90 120.40 117.22 3kxa s VAL 18 Ca -0.18 1.79 -0.09 0.00 0.00 0.00 0.00 61.98 63.50 3kxa s VAL 18 Cb 0.06 -4.20 0.13 0.00 0.00 0.00 0.00 36.38 32.37 3kxa s VAL 18 CO 0.53 0.07 0.40 -1.59 0.00 0.00 0.00 175.10 174.52 3kxa s LYS 19 N 1.75 2.61 -0.52 2.72 -2.85 -1.26 -5.06 119.74 117.12 3kxa s LYS 19 Ca 0.43 -1.91 -0.26 0.00 -1.00 0.00 0.00 55.97 53.22 3kxa s LYS 19 Cb -0.18 -3.97 0.03 0.00 -2.06 0.00 0.00 37.83 31.66 3kxa s LYS 19 CO 0.17 -1.21 1.04 -1.25 0.10 0.00 0.00 175.35 174.20 3kxa s PRO 20 N 1.11 3.50 0.65 1.78 0.04 -1.26 -5.01 135.00 135.80 3kxa s PRO 20 Ca 0.08 0.13 -0.18 0.00 0.04 0.00 0.00 61.00 61.07 3kxa s PRO 20 Cb -0.24 -3.98 -0.02 0.00 0.04 0.00 0.00 34.50 30.30 3kxa s PRO 20 CO -0.02 -1.45 1.20 0.44 0.04 0.00 0.00 177.00 177.22 3kxa n ILE 21 N 6.50 4.58 -3.18 0.56 -6.64 -1.26 -5.01 119.36 114.90 3kxa n ILE 21 Ca 0.06 -0.49 -0.21 0.00 -1.77 0.00 0.00 62.75 60.35 3kxa n ILE 21 Cb 0.48 -1.39 -0.05 0.00 -1.44 0.00 0.00 39.64 37.25 3kxa n ILE 21 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 3kxa n SER 22 N -1.66 0.48 -4.39 7.28 2.88 -1.26 -4.96 113.62 111.98 3kxa n SER 22 Ca 0.15 -2.86 -0.44 0.00 -1.33 0.00 0.00 58.87 54.39 3kxa n SER 22 Cb 0.48 -0.60 -0.07 0.00 -0.75 0.00 0.00 64.21 63.27 3kxa n SER 22 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3kxa s PRO 23 N -1.80 3.02 0.00 -1.46 0.02 -1.26 -5.00 135.00 128.51 3kxa s PRO 23 Ca 0.37 -1.28 0.20 0.00 0.02 0.00 0.00 61.00 60.31 3kxa s PRO 23 Cb 0.26 -4.15 0.53 0.00 0.02 0.00 0.00 34.50 31.16 3kxa s PRO 23 CO -0.10 -1.14 1.44 0.09 -0.33 0.00 0.00 177.00 176.97 3kxa n ASN 24 N 5.50 2.90 -4.42 2.53 3.02 -1.26 -4.65 115.26 118.87 3kxa n ASN 24 Ca -0.11 -1.94 -0.44 0.00 -0.03 0.00 0.00 54.58 52.06 3kxa n ASN 24 Cb 0.44 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 3kxa n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3kxa s THR 25 N -1.44 4.71 0.08 3.41 -4.23 -1.26 -4.94 115.64 111.96 3kxa s THR 25 Ca 0.37 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.69 3kxa s THR 25 Cb 0.20 -4.67 -0.04 0.00 1.34 0.00 0.00 72.50 69.34 3kxa s THR 25 CO 0.28 -1.38 0.21 0.42 -0.54 0.00 0.00 174.62 173.62 3kxa s THR 26 N 2.85 5.32 0.25 3.99 -4.23 -1.26 -4.94 115.64 117.62 3kxa s THR 26 Ca 0.24 -0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 60.25 3kxa s THR 26 Cb -0.13 -3.62 0.22 0.00 1.34 0.00 0.00 72.50 70.31 3kxa s THR 26 CO -0.01 0.10 1.77 -0.65 -0.54 0.00 0.00 174.62 175.29 3kxa h PRO 27 N 2.93 0.60 -0.32 3.99 0.11 -1.97 0.49 132.00 137.84 3kxa h PRO 27 Ca -0.46 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kxa h PRO 27 Cb 1.17 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3kxa h PRO 27 CO 0.74 0.40 0.18 0.00 -0.21 0.00 0.00 178.00 179.11 3kxa h ALA 28 N 1.51 0.41 -0.05 -0.75 0.00 -1.99 0.12 119.26 118.51 3kxa h ALA 28 Ca 0.42 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3kxa h ALA 28 Cb 0.53 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kxa h ALA 28 CO -0.33 -0.07 0.02 0.00 0.00 0.00 0.00 179.25 178.87 3kxa h ALA 29 N 1.06 0.06 -0.86 0.00 0.00 -1.68 -2.68 119.26 115.16 3kxa h ALA 29 Ca 0.11 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.12 3kxa h ALA 29 Cb 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.70 3kxa h ALA 29 CO -0.02 -0.35 0.39 1.49 0.00 0.00 0.00 179.25 180.76 3kxa h GLU 30 N -0.08 0.45 0.38 0.00 4.57 0.11 -2.28 114.58 117.73 3kxa h GLU 30 Ca 0.02 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3kxa h GLU 30 Cb 0.17 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3kxa h GLU 30 CO -0.00 0.30 -0.18 1.25 -1.18 0.00 0.00 179.01 179.20 3kxa h HIS 31 N 0.47 -0.48 -0.79 0.92 2.76 -0.48 -2.41 115.15 115.14 3kxa h HIS 31 Ca 0.51 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.74 3kxa h HIS 31 Cb 0.88 0.16 -0.06 0.00 1.55 0.00 0.00 27.41 29.94 3kxa h HIS 31 CO -0.13 -0.15 0.46 0.82 -1.30 0.00 0.00 177.93 177.63 3kxa h ILE 32 N -0.85 0.99 -0.38 6.26 2.04 -1.43 -0.16 117.51 123.99 3kxa h ILE 32 Ca -0.05 -0.29 0.07 0.00 1.00 0.00 0.00 64.86 65.60 3kxa h ILE 32 Cb 0.54 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.63 3kxa h ILE 32 CO 0.09 0.15 -0.07 -0.08 0.00 0.00 0.00 178.15 178.24 3kxa h GLU 33 N 0.84 0.03 -0.58 2.37 4.81 -1.41 0.13 114.58 120.77 3kxa h GLU 33 Ca 0.35 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.48 3kxa h GLU 33 Cb 0.21 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3kxa h GLU 33 CO -0.19 0.02 -0.03 0.45 -0.73 0.00 0.00 179.01 178.53 3kxa h HIS 34 N 0.03 1.12 -0.67 0.92 3.86 -0.82 -2.47 115.15 117.13 3kxa h HIS 34 Ca 0.18 -0.20 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3kxa h HIS 34 Cb 0.28 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 3kxa h HIS 34 CO -0.32 1.00 0.41 0.28 0.86 0.00 0.00 177.93 180.16 3kxa h VAL 35 N 0.93 1.07 0.00 2.45 2.07 -0.58 -2.34 116.25 119.85 3kxa h VAL 35 Ca 0.16 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3kxa h VAL 35 Cb 0.57 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3kxa h VAL 35 CO 0.03 0.15 0.00 0.54 0.02 0.00 0.00 177.57 178.31 3kxa n ARG 36 N -4.70 0.40 0.20 1.57 1.74 0.42 -3.04 116.66 113.25 3kxa n ARG 36 Ca 0.07 0.05 0.08 0.00 -0.77 0.00 0.00 57.85 57.28 3kxa n ARG 36 Cb 0.10 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.37 3kxa n ARG 36 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3kxa h LYS 37 N 0.00 0.00 -6.05 5.56 3.64 -0.96 -3.41 116.57 115.36 3kxa h LYS 37 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 3kxa h LYS 37 Cb 0.21 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 3kxa h LYS 37 CO 0.00 0.29 0.57 1.21 -2.27 0.00 0.00 179.45 179.24 3kxa s ASN 38 N -6.27 7.06 0.44 4.20 3.84 -1.17 -4.95 114.94 118.09 3kxa s ASN 38 Ca 0.02 1.31 0.20 0.00 0.21 0.00 0.00 52.86 54.60 3kxa s ASN 38 Cb 0.09 -2.50 1.01 0.00 -0.55 0.00 0.00 41.25 39.30 3kxa s ASN 38 CO 0.67 -0.50 1.91 1.55 -2.79 0.00 0.00 177.10 177.93 3kxa h PRO 39 N 7.34 0.00 -0.12 0.43 0.13 -1.89 -0.64 132.00 137.25 3kxa h PRO 39 Ca -0.26 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.64 3kxa h PRO 39 Cb 1.11 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.25 3kxa h PRO 39 CO 0.89 0.26 -0.84 0.00 -0.23 0.00 0.00 178.00 178.08 3kxa h ARG 40 N 0.00 0.78 -0.25 0.86 3.08 -1.94 -2.20 114.38 114.72 3kxa h ARG 40 Ca -0.00 -0.68 -0.07 0.00 0.07 0.00 0.00 59.98 59.30 3kxa h ARG 40 Cb 0.56 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3kxa h ARG 40 CO 0.03 1.28 -0.14 0.00 -1.07 0.00 0.00 179.97 180.07 3kxa h ARG 41 N 0.52 0.53 -0.37 0.04 3.08 -1.80 -2.88 114.38 113.50 3kxa h ARG 41 Ca -0.07 -0.24 0.07 0.00 0.07 0.00 0.00 59.98 59.81 3kxa h ARG 41 Cb 1.47 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.45 3kxa h ARG 41 CO 0.17 0.80 0.01 -0.22 -1.07 0.00 0.00 179.97 179.65 3kxa h LYS 42 N 0.25 0.11 0.06 0.04 3.64 -1.08 -2.18 116.57 117.40 3kxa h LYS 42 Ca 0.05 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3kxa h LYS 42 Cb 0.65 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 3kxa h LYS 42 CO 0.04 0.07 -0.20 0.00 -2.27 0.00 0.00 179.45 177.09 3kxa h ALA 43 N 1.32 -0.30 0.00 5.00 0.00 -1.44 0.14 119.26 123.99 3kxa h ALA 43 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kxa h ALA 43 Cb 0.25 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3kxa h ALA 43 CO -0.30 -0.71 0.00 0.00 0.00 0.00 0.00 179.25 178.24 3kxa n ALA 44 N -2.53 0.55 0.00 0.00 0.00 -0.82 -0.58 120.51 117.13 3kxa n ALA 44 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3kxa n ALA 44 Cb 0.24 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3kxa n ALA 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kxa n ASP 46 N 0.08 0.00 -0.20 0.00 8.00 0.50 -2.51 116.55 122.41 3kxa n ASP 46 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 3kxa n ASP 46 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.26 3kxa n ASP 46 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3kxa h ARG 47 N 0.00 0.98 -0.28 -1.24 3.08 -1.11 -0.76 114.38 115.06 3kxa h ARG 47 Ca 0.00 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 3kxa h ARG 47 Cb 0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3kxa h ARG 47 CO 0.00 0.81 0.08 0.00 -1.07 0.00 0.00 179.97 179.79 3kxa h ALA 48 N 1.31 0.37 -0.82 0.04 0.00 -1.73 -2.34 119.26 116.09 3kxa h ALA 48 Ca 0.22 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3kxa h ALA 48 Cb 0.21 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3kxa h ALA 48 CO -0.02 0.02 0.49 0.00 0.00 0.00 0.00 179.25 179.74 3kxa h ALA 49 N 0.91 1.14 -0.17 0.00 0.00 -1.71 -1.47 119.26 117.95 3kxa h ALA 49 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3kxa h ALA 49 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kxa h ALA 49 CO -0.00 0.20 0.05 0.00 0.00 0.00 0.00 179.25 179.49 3kxa h ALA 50 N 1.41 0.23 -0.70 0.00 0.00 -1.04 0.13 119.26 119.28 3kxa h ALA 50 Ca 0.37 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3kxa h ALA 50 Cb 0.22 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3kxa h ALA 50 CO -0.19 -0.14 0.42 0.00 0.00 0.00 0.00 179.25 179.34 3kxa h ARG 51 N 0.10 0.76 -0.34 0.00 3.08 -1.11 -1.48 114.38 115.39 3kxa h ARG 51 Ca 0.06 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 3kxa h ARG 51 Cb 0.25 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3kxa h ARG 51 CO -0.00 0.50 -0.30 0.82 -1.07 0.00 0.00 179.97 179.92 3kxa h ILE 52 N 0.78 1.28 -0.32 2.04 2.04 -1.04 -2.83 117.51 119.45 3kxa h ILE 52 Ca 0.30 -1.44 0.01 0.00 1.00 0.00 0.00 64.86 64.73 3kxa h ILE 52 Cb 0.13 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3kxa h ILE 52 CO -0.16 0.47 0.21 0.00 0.00 0.00 0.00 178.15 178.68 3kxa h ALA 53 N 1.05 1.79 -0.09 1.87 0.00 0.22 -1.40 119.26 122.70 3kxa h ALA 53 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kxa h ALA 53 Cb 0.82 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3kxa h ALA 53 CO 0.07 0.19 0.03 -0.44 0.00 0.00 0.00 179.25 179.10 3kxa h ASP 54 N 0.42 0.13 -0.54 0.00 3.32 -1.06 -0.32 116.42 118.37 3kxa h ASP 54 Ca 0.12 -0.19 0.05 0.00 0.02 0.00 0.00 57.03 57.03 3kxa h ASP 54 Cb -0.03 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3kxa h ASP 54 CO -0.03 0.28 0.36 0.11 -1.72 0.00 0.00 179.24 178.25 3kxa h LYS 55 N -0.04 0.52 -0.14 3.56 1.57 -1.35 -1.71 116.57 118.97 3kxa h LYS 55 Ca 0.03 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3kxa h LYS 55 Cb 0.20 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3kxa h LYS 55 CO -0.00 0.34 -0.07 0.82 -0.57 0.00 0.00 179.45 179.98 3kxa h ILE 56 N 0.53 1.31 -0.39 1.86 2.04 -0.85 -2.34 117.51 119.69 3kxa h ILE 56 Ca 0.23 -1.09 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 3kxa h ILE 56 Cb 0.24 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3kxa h ILE 56 CO -0.06 0.32 0.11 0.00 0.00 0.00 0.00 178.15 178.52 3kxa h ALA 57 N 0.67 0.51 -0.32 1.87 0.00 -0.53 -1.33 119.26 120.13 3kxa h ALA 57 Ca 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3kxa h ALA 57 Cb 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3kxa h ALA 57 CO 0.02 0.16 0.07 1.25 0.00 0.00 0.00 179.25 180.75 3kxa h LEU 58 N 0.48 0.49 -1.37 0.00 6.46 -1.43 -0.02 115.31 119.93 3kxa h LEU 58 Ca 0.12 -0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.62 3kxa h LEU 58 Cb 0.27 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 3kxa h LEU 58 CO -0.00 0.60 0.09 0.50 -0.62 0.00 0.00 178.44 179.02 3kxa h LYS 59 N 0.36 0.52 -0.01 1.25 1.63 -1.32 -3.29 116.57 115.71 3kxa h LYS 59 Ca 0.10 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3kxa h LYS 59 Cb 0.31 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 3kxa h LYS 59 CO 0.00 0.48 -0.35 0.00 -3.45 0.00 0.00 179.45 176.13 3kxa n ALA 60 N -2.48 3.24 0.00 5.00 0.00 -0.51 -4.97 120.51 120.79 3kxa n ALA 60 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3kxa n ALA 60 Cb 0.18 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3kxa n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxa n GLY 61 N 1.25 1.65 0.00 0.00 0.00 -0.87 -4.93 105.19 102.29 3kxa n GLY 61 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3kxa n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kxa n GLY 62 N -0.11 -1.07 3.67 -0.02 0.00 -0.07 -4.94 105.19 102.65 3kxa n GLY 62 Ca 0.00 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 3kxa n GLY 62 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kxa n GLU 63 N 0.00 2.83 -2.90 1.61 4.07 -1.26 -4.37 120.64 120.61 3kxa n GLU 63 Ca 0.00 1.03 -0.19 0.00 -0.06 0.00 0.00 57.16 57.94 3kxa n GLU 63 Cb 0.00 -2.97 0.04 0.00 -0.06 0.00 0.00 31.44 28.45 3kxa n GLU 63 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3kxa s THR 64 N 3.85 2.65 0.21 6.31 -4.23 -1.26 -4.20 115.64 118.97 3kxa s THR 64 Ca 0.87 -0.90 -0.07 0.00 -1.18 0.00 0.00 61.69 60.41 3kxa s THR 64 Cb -0.46 -2.75 0.12 0.00 1.34 0.00 0.00 72.50 70.74 3kxa s THR 64 CO 0.41 0.00 1.72 0.15 -0.54 0.00 0.00 174.62 176.36 3kxa h PHE 65 N 0.31 1.14 -0.02 3.99 3.57 -1.87 -1.53 116.94 122.53 3kxa h PHE 65 Ca -0.38 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 60.98 3kxa h PHE 65 Cb 1.28 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 3kxa h PHE 65 CO 0.35 0.94 0.00 0.28 -2.23 0.00 0.00 178.31 177.65 3kxa h VAL 66 N 1.02 1.24 -0.53 1.41 2.07 -1.93 -2.34 116.25 117.19 3kxa h VAL 66 Ca 0.21 -0.72 0.09 0.00 0.82 0.00 0.00 66.70 67.10 3kxa h VAL 66 Cb 0.39 1.70 -0.11 0.00 -1.52 0.00 0.00 31.29 31.75 3kxa h VAL 66 CO 0.01 0.19 -0.35 -1.28 0.02 0.00 0.00 177.57 176.16 3kxa h SER 67 N -0.27 -1.19 -0.33 0.57 0.87 -1.85 -1.76 113.55 109.59 3kxa h SER 67 Ca 0.00 0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 3kxa h SER 67 Cb 0.31 0.57 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 3kxa h SER 67 CO 0.00 -0.32 0.19 0.25 -0.53 0.00 0.00 176.83 176.43 3kxa h LEU 68 N -0.20 0.31 -1.19 2.23 5.85 -1.28 -1.87 115.31 119.17 3kxa h LEU 68 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3kxa h LEU 68 Cb 0.55 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3kxa h LEU 68 CO -0.64 0.23 0.00 -1.14 -0.34 0.00 0.00 178.44 176.55 3kxa n ARG 69 N -4.90 0.00 0.00 1.25 0.63 -0.66 -2.54 116.66 110.43 3kxa n ARG 69 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3kxa n ARG 69 Cb 0.05 -0.92 0.00 0.00 0.45 0.00 0.00 32.46 32.04 3kxa n ARG 69 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3kxa n LYS 71 N 0.44 0.00 0.00 -0.14 5.02 -0.71 -2.34 118.16 120.44 3kxa n LYS 71 Ca 0.00 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.44 3kxa n LYS 71 Cb 0.00 0.00 0.68 0.00 -0.02 0.00 0.00 35.03 35.69 3kxa n LYS 71 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kxa n LYS 72 N 0.00 1.21 -2.24 1.97 4.76 -1.05 -4.94 118.16 117.86 3kxa n LYS 72 Ca 0.00 -0.47 -0.04 0.00 -2.87 0.00 0.00 58.31 54.92 3kxa n LYS 72 Cb 0.00 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 3kxa n LYS 72 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kxa n GLY 73 N 1.14 0.31 3.38 0.72 0.00 -1.17 -5.04 105.19 104.53 3kxa n GLY 73 Ca 0.19 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 3kxa n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kxa s PHE 74 N -2.42 3.07 0.67 1.61 0.40 -0.99 -5.02 117.98 115.30 3kxa s PHE 74 Ca 0.03 -0.71 -0.16 0.00 -0.60 0.00 0.00 56.93 55.48 3kxa s PHE 74 Cb -0.01 -2.21 0.01 0.00 0.51 0.00 0.00 43.02 41.32 3kxa s PHE 74 CO 0.04 -0.47 1.18 0.95 0.70 0.00 0.00 175.22 177.61 3kxa s THR 75 N 1.55 2.69 0.29 0.64 -4.23 -1.26 -4.76 115.64 110.55 3kxa s THR 75 Ca 0.05 0.36 0.04 0.00 -1.18 0.00 0.00 61.69 60.96 3kxa s THR 75 Cb -0.15 -2.96 0.30 0.00 1.34 0.00 0.00 72.50 71.02 3kxa s THR 75 CO 0.01 -0.16 1.68 -0.61 -0.54 0.00 0.00 174.62 175.00 3kxa h GLN 76 N 0.15 0.32 -0.36 3.99 4.15 -1.98 0.01 115.11 121.39 3kxa h GLN 76 Ca -0.48 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3kxa h GLN 76 Cb 1.28 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 3kxa h GLN 76 CO 0.53 0.21 0.23 1.03 -1.93 0.00 0.00 178.83 178.90 3kxa h SER 77 N 0.33 0.41 -0.16 -0.69 0.87 -1.97 -0.91 113.55 111.43 3kxa h SER 77 Ca 0.57 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.10 3kxa h SER 77 Cb 1.11 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 3kxa h SER 77 CO -0.57 0.30 0.05 -0.33 -0.53 0.00 0.00 176.83 175.75 3kxa h GLU 78 N 0.48 0.25 -0.67 2.24 5.08 -1.46 -2.14 114.58 118.37 3kxa h GLU 78 Ca 0.13 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3kxa h GLU 78 Cb -0.05 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3kxa h GLU 78 CO -0.03 0.37 0.38 1.25 -1.00 0.00 0.00 179.01 179.98 3kxa h LEU 79 N 0.09 0.83 -0.91 1.33 5.85 -1.03 -0.52 115.31 120.94 3kxa h LEU 79 Ca 0.05 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.74 3kxa h LEU 79 Cb 0.22 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 3kxa h LEU 79 CO -0.00 0.67 0.58 0.00 -0.34 0.00 0.00 178.44 179.35 3kxa h ALA 80 N 1.19 1.25 -0.11 1.25 0.00 -1.05 -0.69 119.26 121.09 3kxa h ALA 80 Ca 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3kxa h ALA 80 Cb 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3kxa h ALA 80 CO -0.04 0.37 -0.09 1.15 0.00 0.00 0.00 179.25 180.64 3kxa h THR 81 N 1.07 1.34 -0.48 0.00 2.02 -1.10 -0.39 112.91 115.37 3kxa h THR 81 Ca 0.39 -1.19 0.05 0.00 0.77 0.00 0.00 66.41 66.43 3kxa h THR 81 Cb 0.13 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 3kxa h THR 81 CO -0.16 0.34 0.32 0.00 0.37 0.00 0.00 175.52 176.39 3kxa h ALA 82 N 0.61 1.89 -0.51 6.16 0.00 -0.85 -3.03 119.26 123.55 3kxa h ALA 82 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kxa h ALA 82 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kxa h ALA 82 CO 0.02 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3kxa n ALA 83 N -2.50 2.38 -2.84 0.00 0.00 -0.29 -4.70 120.51 112.55 3kxa n ALA 83 Ca 0.06 -1.12 -0.18 0.00 0.00 0.00 0.00 53.44 52.20 3kxa n ALA 83 Cb 0.23 -0.83 0.03 0.00 0.00 0.00 0.00 19.45 18.88 3kxa n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxa n GLY 84 N 1.42 -0.29 3.51 0.00 0.00 -1.09 -4.78 105.19 103.97 3kxa n GLY 84 Ca 0.20 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3kxa n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxa s LEU 85 N -5.46 2.73 0.21 0.99 1.43 -0.18 -5.06 118.68 113.34 3kxa s LEU 85 Ca 0.23 -0.85 -0.25 0.00 -1.03 0.00 0.00 54.13 52.23 3kxa s LEU 85 Cb -0.10 -1.32 -0.08 0.00 0.03 0.00 0.00 46.19 44.71 3kxa s LEU 85 CO 0.29 0.06 0.81 -2.84 0.23 0.00 0.00 176.35 174.90 3kxa s PRO 86 N -3.24 4.56 0.21 1.29 0.02 -1.26 -4.33 135.00 132.25 3kxa s PRO 86 Ca 0.27 1.18 -0.07 0.00 0.02 0.00 0.00 61.00 62.40 3kxa s PRO 86 Cb -0.07 -3.15 0.16 0.00 0.02 0.00 0.00 34.50 31.46 3kxa s PRO 86 CO 0.15 0.50 1.75 0.37 -0.33 0.00 0.00 177.00 179.44 3kxa h GLN 87 N 4.01 1.14 -0.57 5.54 4.15 -1.92 -0.85 115.11 126.61 3kxa h GLN 87 Ca -0.47 -0.25 0.09 0.00 0.77 0.00 0.00 58.65 58.79 3kxa h GLN 87 Cb 1.20 -0.16 -0.07 0.00 0.21 0.00 0.00 27.48 28.66 3kxa h GLN 87 CO 0.66 0.98 0.17 -1.35 -1.93 0.00 0.00 178.83 177.36 3kxa h PRO 88 N 1.09 0.32 -0.75 -2.39 0.11 -1.99 0.12 132.00 128.51 3kxa h PRO 88 Ca 0.23 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.29 3kxa h PRO 88 Cb 0.32 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 3kxa h PRO 88 CO -0.01 0.21 0.34 -0.92 -0.21 0.00 0.00 178.00 177.41 3kxa h TYR 89 N 0.33 1.10 -0.46 0.65 3.20 -1.74 -2.23 116.97 117.81 3kxa h TYR 89 Ca 0.29 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 3kxa h TYR 89 Cb 0.37 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3kxa h TYR 89 CO -0.19 0.81 0.09 1.25 -1.64 0.00 0.00 178.16 178.48 3kxa h LEU 90 N 1.08 0.72 -1.03 2.82 5.85 -0.67 -1.12 115.31 122.96 3kxa h LEU 90 Ca 0.26 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.83 3kxa h LEU 90 Cb 0.15 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 3kxa h LEU 90 CO -0.03 0.79 0.63 -1.28 -0.34 0.00 0.00 178.44 178.22 3kxa h SER 91 N 0.63 0.95 -0.13 1.25 0.87 -0.54 -0.88 113.55 115.70 3kxa h SER 91 Ca 0.14 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.62 3kxa h SER 91 Cb 0.36 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3kxa h SER 91 CO 0.01 0.55 -0.29 0.03 -0.53 0.00 0.00 176.83 176.59 3kxa h ARG 92 N 1.05 0.60 -0.67 2.24 3.08 -1.02 -2.03 114.38 117.63 3kxa h ARG 92 Ca 0.47 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 3kxa h ARG 92 Cb 0.37 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 3kxa h ARG 92 CO -0.22 0.83 0.30 0.82 -1.07 0.00 0.00 179.97 180.63 3kxa h ILE 93 N 0.52 1.22 0.00 2.04 2.04 0.07 0.27 117.51 123.68 3kxa h ILE 93 Ca 0.07 -0.66 -0.12 0.00 1.00 0.00 0.00 64.86 65.15 3kxa h ILE 93 Cb 0.77 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3kxa h ILE 93 CO 0.06 0.27 -0.57 -0.33 0.00 0.00 0.00 178.15 177.59 3kxa h GLU 94 N 0.96 0.00 0.00 2.37 5.08 -1.00 -3.42 114.58 118.57 3kxa h GLU 94 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3kxa h GLU 94 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3kxa h GLU 94 CO -0.03 0.57 -0.81 0.09 -1.00 0.00 0.00 179.01 177.83 3kxa n ASN 95 N -3.39 1.96 -0.09 1.42 3.02 -0.78 -4.79 115.26 112.60 3kxa n ASN 95 Ca 0.01 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.38 3kxa n ASN 95 Cb 0.69 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.79 3kxa n ASN 95 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3kxa n SER 96 N -2.54 1.81 -4.74 6.41 7.64 0.16 -5.06 113.62 117.30 3kxa n SER 96 Ca 0.00 0.11 -0.38 0.00 1.01 0.00 0.00 58.87 59.61 3kxa n SER 96 Cb 0.40 -0.46 0.05 0.00 -1.01 0.00 0.00 64.21 63.19 3kxa n SER 96 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3kxa n LYS 97 N -3.56 1.60 -0.06 1.43 5.02 0.72 -4.99 118.16 118.32 3kxa n LYS 97 Ca -0.36 0.59 -0.09 0.00 -2.02 0.00 0.00 58.31 56.43 3kxa n LYS 97 Cb 0.79 -2.58 -0.15 0.00 -0.02 0.00 0.00 35.03 33.07 3kxa n LYS 97 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3kxa n GLN 98 N -1.20 0.66 -4.07 1.97 6.02 -1.26 -4.99 117.38 114.51 3kxa n GLN 98 Ca 0.11 0.16 -0.10 0.00 -0.01 0.00 0.00 57.00 57.17 3kxa n GLN 98 Cb 0.45 -1.67 -0.07 0.00 1.02 0.00 0.00 30.24 29.97 3kxa n GLN 98 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3kxa s SER 99 N -5.82 0.00 -0.05 1.08 1.04 -1.26 -5.08 113.70 103.61 3kxa s SER 99 Ca -0.07 -1.09 0.06 0.00 0.48 0.00 0.00 55.95 55.33 3kxa s SER 99 Cb 0.07 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 3kxa s SER 99 CO 0.83 -1.04 -0.24 -0.76 0.98 0.00 0.00 173.24 173.01 3kxa s LEU 100 N -3.07 2.05 0.66 2.42 1.43 -1.26 -5.07 118.68 115.83 3kxa s LEU 100 Ca 0.28 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 3kxa s LEU 100 Cb 0.02 -1.32 -0.00 0.00 0.03 0.00 0.00 46.19 44.92 3kxa s LEU 100 CO 0.10 0.25 1.18 -1.10 0.23 0.00 0.00 176.35 177.01 3kxa s GLN 101 N -0.24 2.65 0.21 1.70 -0.21 -1.26 -4.89 119.66 117.62 3kxa s GLN 101 Ca -0.01 1.69 -0.10 0.00 0.02 0.00 0.00 55.36 56.96 3kxa s GLN 101 Cb -0.13 -1.90 0.18 0.00 1.00 0.00 0.00 33.01 32.16 3kxa s GLN 101 CO 0.02 -1.42 1.88 0.22 -2.12 0.00 0.00 175.29 173.87 3kxa h ASP 102 N 0.28 0.85 -0.92 5.90 -0.00 -2.00 -2.24 116.42 118.28 3kxa h ASP 102 Ca -0.49 -0.02 0.10 0.00 -0.00 0.00 0.00 57.03 56.63 3kxa h ASP 102 Cb 1.28 -0.21 -0.07 0.00 -0.00 0.00 0.00 39.33 40.34 3kxa h ASP 102 CO 0.53 0.61 0.59 0.50 -0.00 0.00 0.00 179.24 181.47 3kxa h LYS 103 N 1.00 0.89 -0.09 0.28 3.64 -2.00 -2.32 116.57 117.98 3kxa h LYS 103 Ca 0.29 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3kxa h LYS 103 Cb -0.08 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.54 3kxa h LYS 103 CO -0.08 0.59 -0.05 1.15 -2.27 0.00 0.00 179.45 178.80 3kxa h THR 104 N 0.92 1.32 -0.99 1.00 2.02 -1.79 -1.76 112.91 113.63 3kxa h THR 104 Ca 0.43 -1.07 0.19 0.00 0.77 0.00 0.00 66.41 66.73 3kxa h THR 104 Cb 0.41 1.85 -0.10 0.00 -1.74 0.00 0.00 68.15 68.57 3kxa h THR 104 CO -0.19 0.30 0.61 0.58 0.37 0.00 0.00 175.52 177.20 3kxa h VAL 105 N -0.17 0.70 -0.01 3.16 2.07 -1.11 0.15 116.25 121.04 3kxa h VAL 105 Ca 0.02 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3kxa h VAL 105 Cb 0.50 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3kxa h VAL 105 CO 0.01 0.13 -0.10 1.56 0.02 0.00 0.00 177.57 179.19 3kxa h GLN 106 N 0.69 0.09 -0.81 1.57 4.20 -1.33 0.12 115.11 119.65 3kxa h GLN 106 Ca 0.56 -0.08 0.16 0.00 0.06 0.00 0.00 58.65 59.35 3kxa h GLN 106 Cb 0.97 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.67 3kxa h GLN 106 CO -0.34 0.77 0.35 0.87 -0.67 0.00 0.00 178.83 179.82 3kxa h LYS 107 N -0.56 0.47 -0.16 1.46 1.57 -0.68 -0.41 116.57 118.27 3kxa h LYS 107 Ca -0.01 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 3kxa h LYS 107 Cb 0.79 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.01 3kxa h LYS 107 CO 0.02 0.31 -0.65 -0.07 -0.57 0.00 0.00 179.45 178.49 3kxa h LEU 108 N 0.48 0.84 -0.76 2.94 3.38 -0.64 -2.26 115.31 119.29 3kxa h LEU 108 Ca 0.46 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3kxa h LEU 108 Cb 0.72 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3kxa h LEU 108 CO -0.42 1.32 0.48 0.00 0.09 0.00 0.00 178.44 179.92 3kxa h ALA 109 N 0.54 0.97 -0.42 1.53 0.00 -0.12 -1.87 119.26 119.89 3kxa h ALA 109 Ca -0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3kxa h ALA 109 Cb 1.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3kxa h ALA 109 CO 0.14 0.41 0.05 -0.91 0.00 0.00 0.00 179.25 178.94 3kxa h ASN 110 N 1.04 0.69 -0.67 0.00 2.35 -1.08 0.36 115.58 118.27 3kxa h ASN 110 Ca 0.28 -0.28 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3kxa h ASN 110 Cb -0.08 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.06 3kxa h ASN 110 CO -0.06 0.79 0.42 0.00 -1.65 0.00 0.00 177.43 176.93 3kxa h ALA 111 N 0.92 0.87 0.00 -0.83 0.00 -1.05 -2.60 119.26 116.57 3kxa h ALA 111 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kxa h ALA 111 Cb 0.41 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kxa h ALA 111 CO 0.01 0.18 -0.63 1.28 0.00 0.00 0.00 179.25 180.09 3kxa n LEU 112 N -4.69 0.59 -3.46 0.00 4.77 -0.74 -4.99 117.00 108.49 3kxa n LEU 112 Ca 0.07 0.07 -0.18 0.00 -0.03 0.00 0.00 56.01 55.94 3kxa n LEU 112 Cb 0.08 -0.20 0.09 0.00 -2.33 0.00 0.00 43.42 41.06 3kxa n LEU 112 CO 0.33 0.05 0.11 0.61 -1.33 0.00 0.00 177.39 177.16 3kxa n GLY 113 N 1.42 -0.37 3.33 -0.72 0.00 0.12 -5.04 105.19 103.93 3kxa n GLY 113 Ca 0.04 0.11 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 3kxa n GLY 113 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kxa s VAL 114 N -3.37 0.69 0.69 1.61 -7.23 -0.55 -5.03 120.40 107.20 3kxa s VAL 114 Ca 0.05 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.08 3kxa s VAL 114 Cb -0.02 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.34 3kxa s VAL 114 CO 0.73 -0.06 1.09 -0.94 -0.31 0.00 0.00 175.10 175.61 3kxa s SER 115 N -3.32 5.04 0.27 4.85 1.04 -1.26 -4.51 113.70 115.80 3kxa s SER 115 Ca 0.36 1.89 -0.00 0.00 0.48 0.00 0.00 55.95 58.67 3kxa s SER 115 Cb 0.08 -2.53 0.54 0.00 0.10 0.00 0.00 66.02 64.21 3kxa s SER 115 CO 0.13 -1.68 1.77 -0.65 0.98 0.00 0.00 173.24 173.79 3kxa h PRO 116 N -0.34 0.65 -0.62 4.02 0.11 -1.93 -2.40 132.00 131.49 3kxa h PRO 116 Ca -0.45 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.67 3kxa h PRO 116 Cb 1.23 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 3kxa h PRO 116 CO 0.54 0.43 0.34 1.25 -0.21 0.00 0.00 178.00 180.35 3kxa h LEU 117 N 0.67 0.50 0.45 2.35 5.85 -1.98 0.14 115.31 123.30 3kxa h LEU 117 Ca 0.47 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.20 3kxa h LEU 117 Cb 0.65 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 3kxa h LEU 117 CO -0.35 0.33 -0.27 -0.33 -0.34 0.00 0.00 178.44 177.48 3kxa h GLU 118 N 0.64 -0.65 -0.33 1.25 5.08 -1.81 0.37 114.58 119.12 3kxa h GLU 118 Ca 0.27 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.75 3kxa h GLU 118 Cb 0.16 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 3kxa h GLU 118 CO -0.17 -0.44 -0.31 0.28 -1.00 0.00 0.00 179.01 177.38 3kxa h VAL 119 N -0.68 0.27 -0.46 3.13 2.07 -1.21 -0.61 116.25 118.76 3kxa h VAL 119 Ca -0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3kxa h VAL 119 Cb 0.55 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3kxa h VAL 119 CO 0.06 0.00 0.24 0.03 0.02 0.00 0.00 177.57 177.92 3kxa h ARG 120 N -0.27 0.65 -0.93 1.57 3.08 -0.54 -1.55 114.38 116.39 3kxa h ARG 120 Ca 0.15 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.16 3kxa h ARG 120 Cb 0.52 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 3kxa h ARG 120 CO -0.48 0.53 0.61 0.00 -1.07 0.00 0.00 179.97 179.56 3kxa h ALA 121 N 1.09 1.41 0.20 0.04 0.00 0.15 -1.13 119.26 121.01 3kxa h ALA 121 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kxa h ALA 121 Cb 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3kxa h ALA 121 CO -0.02 0.50 -0.10 0.00 0.00 0.00 0.00 179.25 179.63 3kxa h ALA 122 N 1.46 -0.27 -0.53 0.00 0.00 -0.75 -3.13 119.26 116.04 3kxa h ALA 122 Ca 0.37 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.22 3kxa h ALA 122 Cb 0.01 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 3kxa h ALA 122 CO -0.11 -0.50 -0.04 0.35 0.00 0.00 0.00 179.25 178.94 3kxa h PHE 123 N -0.57 -0.11 0.00 0.00 3.57 -1.01 -1.71 116.94 117.11 3kxa h PHE 123 Ca -0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3kxa h PHE 123 Cb 0.42 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.29 3kxa h PHE 123 CO 0.02 -0.16 0.00 0.39 -2.23 0.00 0.00 178.31 176.33 3kxa n GLU 124 N -5.29 0.14 0.00 1.11 -0.58 -0.45 -2.30 120.64 113.26 3kxa n GLU 124 Ca 0.06 0.18 0.15 0.00 -0.42 0.00 0.00 57.16 57.13 3kxa n GLU 124 Cb 0.29 -1.50 0.75 0.00 -0.57 0.00 0.00 31.44 30.40 3kxa n GLU 124 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3kxa n ARG 125 N -1.25 0.40 0.00 3.49 3.00 -0.65 -2.57 116.66 119.09 3kxa n ARG 125 Ca 0.04 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 58.02 3kxa n ARG 125 Cb 0.06 -1.50 0.75 0.00 0.00 0.00 0.00 32.46 31.77 3kxa n ARG 125 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 3kxa n ARG 126 N -1.30 0.70 -4.05 -0.14 1.85 -0.97 -4.84 116.66 107.91 3kxa n ARG 126 Ca 0.14 0.01 -0.25 0.00 -1.00 0.00 0.00 57.85 56.75 3kxa n ARG 126 Cb 0.24 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.10 3kxa n ARG 126 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3kxa s TYR 127 N -2.15 2.47 -0.32 2.89 1.51 -1.06 -5.11 117.35 115.57 3kxa s TYR 127 Ca 0.35 -0.62 0.03 0.00 -1.01 0.00 0.00 57.07 55.82 3kxa s TYR 127 Cb 0.18 -1.97 0.10 0.00 -0.11 0.00 0.00 41.96 40.15 3kxa s TYR 127 CO 0.33 0.06 0.05 -2.00 -1.11 0.00 0.00 175.55 172.88 3kxa s GLU 128 N -3.98 1.35 0.00 -0.62 2.56 -1.26 -5.10 118.70 111.65 3kxa s GLU 128 Ca 0.40 -1.64 0.29 0.00 0.00 0.00 0.00 54.97 54.02 3kxa s GLU 128 Cb 0.02 -2.90 1.19 0.00 2.00 0.00 0.00 34.13 34.45 3kxa s GLU 128 CO 0.22 -0.92 1.83 0.66 -0.56 0.00 0.00 175.26 176.49