#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuv s SER 2 N 0.00 0.54 -0.47 1.61 0.01 -1.26 -5.08 113.70 109.04 2yuv s SER 2 Ca 0.00 -1.48 -0.43 0.00 1.31 0.00 0.00 55.95 55.35 2yuv s SER 2 Cb 0.00 0.43 -0.18 0.00 0.21 0.00 0.00 66.02 66.47 2yuv s SER 2 CO 0.00 -0.90 1.73 -1.20 0.41 0.00 0.00 173.24 173.28 2yuv n SER 3 N -0.60 0.96 -4.57 2.44 7.64 -1.26 -4.75 113.62 113.47 2yuv n SER 3 Ca 0.03 0.92 -0.37 0.00 1.01 0.00 0.00 58.87 60.46 2yuv n SER 3 Cb 0.65 -0.84 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 2yuv n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yuv s GLY 4 N 4.05 1.04 -1.10 0.23 0.00 -1.26 -4.90 107.32 105.39 2yuv s GLY 4 Ca 1.05 -2.48 -0.23 0.00 0.00 0.00 0.00 44.72 43.07 2yuv s GLY 4 CO 0.71 3.02 1.86 -0.45 0.00 0.00 0.00 173.10 178.24 2yuv s SER 5 N 5.30 5.49 -0.50 1.64 0.15 -1.26 -4.85 113.70 119.68 2yuv s SER 5 Ca 0.58 -1.48 0.03 0.00 0.70 0.00 0.00 55.95 55.78 2yuv s SER 5 Cb 0.01 -2.58 0.14 0.00 -1.71 0.00 0.00 66.02 61.88 2yuv s SER 5 CO 0.06 -2.53 0.27 -0.44 1.20 0.00 0.00 173.24 171.80 2yuv s SER 6 N 6.43 3.98 -0.59 5.45 0.01 -1.26 -5.04 113.70 122.68 2yuv s SER 6 Ca 0.64 -2.92 0.01 0.00 1.31 0.00 0.00 55.95 55.00 2yuv s SER 6 Cb -0.02 -1.33 0.15 0.00 0.21 0.00 0.00 66.02 65.03 2yuv s SER 6 CO 0.06 -0.23 0.37 -0.83 0.41 0.00 0.00 173.24 173.02 2yuv s GLY 7 N -0.10 2.53 -0.30 3.44 0.00 -1.26 -5.00 107.32 106.63 2yuv s GLY 7 Ca 0.18 -3.34 -0.04 0.00 0.00 0.00 0.00 44.72 41.53 2yuv s GLY 7 CO -0.02 1.06 0.71 0.00 0.00 0.00 0.00 173.10 174.85 2yuv s ALA 8 N -0.34 -2.55 -0.14 3.20 0.00 -1.26 -5.04 121.76 115.63 2yuv s ALA 8 Ca 0.18 1.73 0.04 0.00 0.00 0.00 0.00 51.96 53.91 2yuv s ALA 8 Cb -0.22 -2.26 -0.12 0.00 0.00 0.00 0.00 23.12 20.53 2yuv s ALA 8 CO -0.03 -1.38 -0.08 0.00 0.00 0.00 0.00 175.76 174.28 2yuv n ALA 9 N 5.44 1.67 -2.53 0.00 0.00 -1.26 -4.77 120.51 119.06 2yuv n ALA 9 Ca -0.02 -0.71 -0.41 0.00 0.00 0.00 0.00 53.44 52.29 2yuv n ALA 9 Cb 0.52 0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.96 2yuv n ALA 9 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2yuv s PHE 10 N -2.31 3.21 0.31 0.00 0.08 -1.26 -1.88 117.98 116.13 2yuv s PHE 10 Ca -0.16 -0.12 0.15 0.00 0.12 0.00 0.00 56.93 56.91 2yuv s PHE 10 Cb 0.05 -2.65 0.69 0.00 -0.57 0.00 0.00 43.02 40.54 2yuv s PHE 10 CO 0.41 -0.45 1.78 0.00 -0.10 0.00 0.00 175.22 176.86 2yuv h ALA 11 N 8.50 1.19 -1.77 5.36 0.00 -1.37 -3.42 119.26 127.76 2yuv h ALA 11 Ca -0.30 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.10 2yuv h ALA 11 Cb 1.14 -0.07 -0.29 0.00 0.00 0.00 0.00 17.79 18.58 2yuv h ALA 11 CO 0.69 0.51 -0.48 0.21 0.00 0.00 0.00 179.25 180.18 2yuv s LYS 12 N -3.93 0.38 0.52 0.00 2.20 -1.19 -4.88 119.74 112.84 2yuv s LYS 12 Ca -0.02 0.45 -0.19 0.00 -0.36 0.00 0.00 55.97 55.85 2yuv s LYS 12 Cb 0.13 -0.35 -0.07 0.00 -1.51 0.00 0.00 37.83 36.03 2yuv s LYS 12 CO 0.71 -0.76 1.06 0.96 -0.36 0.00 0.00 175.35 176.97 2yuv s ILE 13 N 2.57 3.64 0.48 5.43 -4.36 -1.26 -3.03 121.20 124.67 2yuv s ILE 13 Ca 0.12 0.98 -0.23 0.00 -0.26 0.00 0.00 60.65 61.27 2yuv s ILE 13 Cb -0.14 -3.40 -0.08 0.00 1.25 0.00 0.00 42.46 40.08 2yuv s ILE 13 CO -0.21 -0.26 1.06 0.18 0.24 0.00 0.00 174.94 175.96 2yuv n LEU 14 N -1.21 3.33 -4.40 0.37 4.77 -1.26 -4.91 117.00 113.70 2yuv n LEU 14 Ca 0.10 0.98 -0.35 0.00 -0.03 0.00 0.00 56.01 56.71 2yuv n LEU 14 Cb 0.52 -1.40 0.09 0.00 -2.33 0.00 0.00 43.42 40.30 2yuv n LEU 14 CO 0.41 -1.38 -0.14 0.47 -1.33 0.00 0.00 177.39 175.42 2yuv n ASP 15 N 0.02 -2.06 0.10 -1.43 9.92 -1.26 -4.85 116.55 117.00 2yuv n ASP 15 Ca 0.10 0.44 0.11 0.00 -0.53 0.00 0.00 54.79 54.91 2yuv n ASP 15 Cb 0.42 -1.16 0.45 0.00 -0.64 0.00 0.00 41.12 40.18 2yuv n ASP 15 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2yuv n PRO 16 N -0.82 0.15 -3.64 -0.24 -0.04 -1.26 -4.52 135.00 124.63 2yuv n PRO 16 Ca 0.07 0.39 -0.04 0.00 -0.04 0.00 0.00 63.50 63.88 2yuv n PRO 16 Cb 0.52 -1.79 -0.07 0.00 -0.04 0.00 0.00 33.50 32.13 2yuv n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yuv s ALA 17 N -3.25 -2.21 0.33 0.55 0.00 -1.26 -4.01 121.76 111.91 2yuv s ALA 17 Ca 0.05 1.85 0.08 0.00 0.00 0.00 0.00 51.96 53.93 2yuv s ALA 17 Cb 0.09 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 2yuv s ALA 17 CO 0.36 -0.20 0.20 0.71 0.00 0.00 0.00 175.76 176.83 2yuv s TYR 18 N 0.38 2.83 -0.14 0.00 1.51 0.24 -4.97 117.35 117.21 2yuv s TYR 18 Ca 0.02 -0.31 -0.05 0.00 -1.01 0.00 0.00 57.07 55.72 2yuv s TYR 18 Cb -0.04 -1.66 0.07 0.00 -0.11 0.00 0.00 41.96 40.22 2yuv s TYR 18 CO -0.12 0.31 0.28 -0.65 -1.11 0.00 0.00 175.55 174.25 2yuv s GLN 19 N -3.90 0.17 0.06 -0.62 1.11 -1.26 -2.04 119.66 113.19 2yuv s GLN 19 Ca 0.38 0.74 -0.05 0.00 0.01 0.00 0.00 55.36 56.44 2yuv s GLN 19 Cb -0.05 -0.09 -0.02 0.00 -1.01 0.00 0.00 33.01 31.85 2yuv s GLN 19 CO 0.24 -0.32 0.09 0.54 0.01 0.00 0.00 175.29 175.86 2yuv s VAL 20 N 2.44 0.17 0.47 1.09 0.11 -0.98 -5.02 120.40 118.67 2yuv s VAL 20 Ca 0.02 -1.37 -0.20 0.00 -2.93 0.00 0.00 61.98 57.50 2yuv s VAL 20 Cb -0.12 -1.28 -0.09 0.00 -1.53 0.00 0.00 36.38 33.35 2yuv s VAL 20 CO -0.09 -0.76 0.99 -1.81 -3.33 0.00 0.00 175.10 170.10 2yuv s ASP 21 N -2.68 6.62 0.71 3.54 1.11 -1.26 -0.27 116.67 124.45 2yuv s ASP 21 Ca 0.03 1.78 -0.17 0.00 0.18 0.00 0.00 52.55 54.37 2yuv s ASP 21 Cb 0.04 -2.54 -0.08 0.00 1.07 0.00 0.00 42.92 41.41 2yuv s ASP 21 CO -0.09 -0.58 0.18 1.17 1.18 0.00 0.00 175.17 177.03 2yuv n LYS 22 N -0.91 0.18 -2.83 8.23 4.81 -0.75 -1.12 118.16 125.76 2yuv n LYS 22 Ca 0.08 0.09 -0.14 0.00 -0.87 0.00 0.00 58.31 57.46 2yuv n LYS 22 Cb 0.53 -1.52 -0.03 0.00 0.02 0.00 0.00 35.03 34.04 2yuv n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2yuv n GLY 23 N 2.11 -0.35 0.00 3.14 0.00 0.46 -4.81 105.19 105.74 2yuv n GLY 23 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2yuv n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuv n GLY 24 N -0.62 1.88 2.88 -0.02 0.00 -0.28 -4.32 105.19 104.71 2yuv n GLY 24 Ca 0.04 -1.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.10 2yuv n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2yuv s ARG 25 N 4.47 0.06 0.53 1.61 3.52 -1.26 -1.97 118.95 125.91 2yuv s ARG 25 Ca 0.00 0.59 0.01 0.00 -0.13 0.00 0.00 55.73 56.20 2yuv s ARG 25 Cb 0.00 -0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.19 2yuv s ARG 25 CO 0.00 -0.29 0.75 0.14 -0.81 0.00 0.00 175.30 175.09 2yuv s VAL 26 N 2.25 3.03 -0.20 7.11 -7.23 -1.12 -4.93 120.40 119.31 2yuv s VAL 26 Ca 0.02 -0.60 -0.05 0.00 -1.81 0.00 0.00 61.98 59.55 2yuv s VAL 26 Cb -0.12 -3.14 0.07 0.00 0.56 0.00 0.00 36.38 33.75 2yuv s VAL 26 CO -0.06 -0.10 0.09 -0.60 -0.31 0.00 0.00 175.10 174.12 2yuv s ARG 27 N -4.72 0.16 -0.39 4.82 3.52 -1.26 -3.43 118.95 117.65 2yuv s ARG 27 Ca 0.55 -0.21 -0.11 0.00 -0.13 0.00 0.00 55.73 55.83 2yuv s ARG 27 Cb -0.10 -1.74 0.04 0.00 -1.56 0.00 0.00 34.95 31.59 2yuv s ARG 27 CO 0.38 -0.74 0.23 -0.06 -0.81 0.00 0.00 175.30 174.31 2yuv s PHE 28 N 2.09 3.27 -0.10 5.12 0.40 0.10 -4.94 117.98 123.92 2yuv s PHE 28 Ca 0.03 -1.12 -0.03 0.00 -0.60 0.00 0.00 56.93 55.20 2yuv s PHE 28 Cb -0.16 -2.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.73 2yuv s PHE 28 CO -0.14 -0.71 0.04 0.08 0.70 0.00 0.00 175.22 175.19 2yuv s VAL 29 N 1.52 4.66 -0.05 -0.44 1.01 -1.26 -0.70 120.40 125.14 2yuv s VAL 29 Ca 0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 2yuv s VAL 29 Cb -0.20 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.20 2yuv s VAL 29 CO 0.05 0.61 0.14 0.68 0.00 0.00 0.00 175.10 176.58 2yuv s VAL 30 N -0.90 0.01 0.15 2.92 -7.23 -1.15 -4.59 120.40 109.61 2yuv s VAL 30 Ca 0.14 -0.12 0.06 0.00 -1.81 0.00 0.00 61.98 60.24 2yuv s VAL 30 Cb -0.12 -0.24 -0.04 0.00 0.56 0.00 0.00 36.38 36.54 2yuv s VAL 30 CO 0.03 -0.06 0.06 -1.61 -0.31 0.00 0.00 175.10 173.21 2yuv s GLU 31 N -0.16 2.68 -0.04 4.82 8.01 -1.17 -1.62 118.70 131.21 2yuv s GLU 31 Ca -0.02 -0.93 0.03 0.00 0.01 0.00 0.00 54.97 54.06 2yuv s GLU 31 Cb -0.02 -2.54 0.00 0.00 -4.31 0.00 0.00 34.13 27.26 2yuv s GLU 31 CO 0.00 0.49 -0.14 -0.51 0.01 0.00 0.00 175.26 175.11 2yuv s LEU 32 N -2.86 1.83 0.50 1.80 1.43 -1.11 -1.06 118.68 119.21 2yuv s LEU 32 Ca 0.29 -0.30 0.21 0.00 -1.03 0.00 0.00 54.13 53.30 2yuv s LEU 32 Cb -0.10 -0.85 1.27 0.00 0.03 0.00 0.00 46.19 46.54 2yuv s LEU 32 CO 0.21 0.11 1.98 0.00 0.23 0.00 0.00 176.35 178.88 2yuv h ALA 33 N 6.43 2.34 -2.44 4.21 0.00 -1.67 -3.43 119.26 124.70 2yuv h ALA 33 Ca -0.32 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2yuv h ALA 33 Cb 1.18 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.75 2yuv h ALA 33 CO 0.48 -0.50 -0.11 -0.51 0.00 0.00 0.00 179.25 178.61 2yuv s ASP 34 N -6.19 -0.47 0.00 0.00 1.01 -1.26 -5.02 116.67 104.73 2yuv s ASP 34 Ca -0.06 0.77 0.15 0.00 0.71 0.00 0.00 52.55 54.12 2yuv s ASP 34 Cb 0.20 0.80 0.75 0.00 1.01 0.00 0.00 42.92 45.68 2yuv s ASP 34 CO 0.74 -0.30 1.40 -0.81 0.21 0.00 0.00 175.17 176.41 2yuv n PRO 35 N 2.18 0.22 0.07 8.23 -0.04 -1.26 -2.71 135.00 141.69 2yuv n PRO 35 Ca -0.16 0.14 -0.05 0.00 -0.04 0.00 0.00 63.50 63.39 2yuv n PRO 35 Cb 0.56 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.65 2yuv n PRO 35 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2yuv h LYS 36 N 0.00 0.28 -7.34 0.54 6.56 -1.97 -3.45 116.57 111.20 2yuv h LYS 36 Ca 0.00 -0.18 -0.50 0.00 -1.06 0.00 0.00 60.65 58.90 2yuv h LYS 36 Cb 0.13 0.02 0.13 0.00 -0.57 0.00 0.00 32.23 31.94 2yuv h LYS 36 CO 0.00 0.78 0.31 -0.51 -2.06 0.00 0.00 179.45 177.97 2yuv s LEU 37 N -8.01 2.76 0.41 2.94 1.43 -1.10 -5.07 118.68 112.04 2yuv s LEU 37 Ca -0.04 1.61 0.08 0.00 -1.03 0.00 0.00 54.13 54.74 2yuv s LEU 37 Cb 0.12 -4.25 -0.02 0.00 0.03 0.00 0.00 46.19 42.07 2yuv s LEU 37 CO 0.80 -2.08 0.39 -1.61 0.23 0.00 0.00 176.35 174.07 2yuv s GLU 38 N -4.98 2.56 -0.00 1.70 8.01 -1.26 -4.99 118.70 119.73 2yuv s GLU 38 Ca 0.61 -1.51 0.00 0.00 0.01 0.00 0.00 54.97 54.08 2yuv s GLU 38 Cb -0.16 -2.40 0.00 0.00 -4.31 0.00 0.00 34.13 27.25 2yuv s GLU 38 CO 0.56 -0.19 -0.00 0.14 0.01 0.00 0.00 175.26 175.78 2yuv s VAL 39 N -2.46 0.01 -0.09 2.63 -7.23 -1.26 -4.02 120.40 107.98 2yuv s VAL 39 Ca 0.48 0.00 -0.04 0.00 -1.81 0.00 0.00 61.98 60.62 2yuv s VAL 39 Cb -0.04 -0.02 0.05 0.00 0.56 0.00 0.00 36.38 36.93 2yuv s VAL 39 CO 0.28 0.01 0.18 -0.54 -0.31 0.00 0.00 175.10 174.72 2yuv s LYS 40 N 0.05 0.09 -0.14 4.82 1.02 -1.13 -4.98 119.74 119.46 2yuv s LYS 40 Ca -0.00 0.53 -0.13 0.00 0.02 0.00 0.00 55.97 56.39 2yuv s LYS 40 Cb -0.01 -0.19 -0.05 0.00 -0.52 0.00 0.00 37.83 37.06 2yuv s LYS 40 CO -0.00 -0.25 0.29 -1.58 -0.92 0.00 0.00 175.35 172.89 2yuv s TRP 41 N 1.87 3.51 0.08 3.18 0.52 -1.26 -2.58 118.94 124.26 2yuv s TRP 41 Ca -0.02 0.63 0.07 0.00 0.02 0.00 0.00 56.10 56.79 2yuv s TRP 41 Cb -0.12 -2.29 -0.03 0.00 -1.15 0.00 0.00 33.47 29.88 2yuv s TRP 41 CO -0.07 0.34 -0.17 0.71 0.02 0.00 0.00 176.95 177.78 2yuv s TYR 42 N 0.12 1.50 -0.25 -1.98 1.51 -1.07 -0.68 117.35 116.50 2yuv s TYR 42 Ca 0.17 -0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 55.79 2yuv s TYR 42 Cb -0.13 -0.84 0.08 0.00 -0.11 0.00 0.00 41.96 40.96 2yuv s TYR 42 CO 0.05 0.12 0.05 0.21 -1.11 0.00 0.00 175.55 174.87 2yuv s LYS 43 N -1.73 0.83 -1.00 -0.62 2.20 -0.04 -2.76 119.74 116.63 2yuv s LYS 43 Ca 0.02 -0.78 -0.05 0.00 -0.36 0.00 0.00 55.97 54.81 2yuv s LYS 43 Cb -0.10 -2.14 0.01 0.00 -1.51 0.00 0.00 37.83 34.09 2yuv s LYS 43 CO 0.03 -0.78 0.86 0.09 -0.36 0.00 0.00 175.35 175.20 2yuv n ASN 44 N 4.91 -4.54 -1.73 1.43 4.13 -1.24 -2.86 115.26 115.36 2yuv n ASN 44 Ca -0.07 -0.42 -0.12 0.00 1.68 0.00 0.00 54.58 55.66 2yuv n ASN 44 Cb 0.45 -3.93 0.02 0.00 -1.54 0.00 0.00 39.78 34.77 2yuv n ASN 44 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yuv n GLY 45 N -1.52 0.07 2.73 7.41 0.00 -1.26 -5.03 105.19 107.60 2yuv n GLY 45 Ca -0.05 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 2yuv n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yuv s GLN 46 N -5.20 -0.04 0.16 1.61 -1.52 -1.13 -5.12 119.66 108.42 2yuv s GLN 46 Ca 0.17 0.41 -0.33 0.00 -1.95 0.00 0.00 55.36 53.66 2yuv s GLN 46 Cb -0.08 -0.42 -0.13 0.00 -0.22 0.00 0.00 33.01 32.17 2yuv s GLN 46 CO 0.22 -0.30 1.65 -1.91 -0.25 0.00 0.00 175.29 174.69 2yuv n GLU 47 N 5.16 2.39 -3.47 2.91 2.13 -1.26 -0.86 120.64 127.64 2yuv n GLU 47 Ca -0.07 0.86 -0.36 0.00 0.66 0.00 0.00 57.16 58.26 2yuv n GLU 47 Cb 0.50 -2.67 -0.06 0.00 0.27 0.00 0.00 31.44 29.48 2yuv n GLU 47 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2yuv s ILE 48 N 1.23 4.98 0.07 6.31 1.01 0.15 -4.88 121.20 130.06 2yuv s ILE 48 Ca 0.78 0.74 0.08 0.00 0.00 0.00 0.00 60.65 62.25 2yuv s ILE 48 Cb -0.61 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2yuv s ILE 48 CO 0.37 0.38 -0.19 0.00 0.00 0.00 0.00 174.94 175.50 2yuv s ARG 49 N -1.61 1.91 -0.11 2.79 3.03 -1.26 -4.75 118.95 118.95 2yuv s ARG 49 Ca 0.31 -1.08 -0.29 0.00 2.03 0.00 0.00 55.73 56.70 2yuv s ARG 49 Cb -0.15 -2.13 -0.04 0.00 -1.03 0.00 0.00 34.95 31.59 2yuv s ARG 49 CO 0.17 0.51 1.54 -1.25 -1.13 0.00 0.00 175.30 175.14 2yuv s PRO 50 N -1.71 4.14 0.29 3.89 0.04 -1.26 -4.60 135.00 135.79 2yuv s PRO 50 Ca 0.16 1.97 -0.18 0.00 0.04 0.00 0.00 61.00 62.99 2yuv s PRO 50 Cb -0.10 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.52 2yuv s PRO 50 CO 0.07 -0.87 0.67 -1.54 0.04 0.00 0.00 177.00 175.37 2yuv s SER 51 N 3.08 -0.14 0.32 6.66 1.04 0.62 -4.94 113.70 120.35 2yuv s SER 51 Ca 0.68 -0.80 0.21 0.00 0.48 0.00 0.00 55.95 56.52 2yuv s SER 51 Cb -0.29 0.72 1.13 0.00 0.10 0.00 0.00 66.02 67.68 2yuv s SER 51 CO 0.25 -1.36 1.25 0.35 0.98 0.00 0.00 173.24 174.72 2yuv n THR 52 N -0.46 -0.27 -0.04 2.02 -2.24 -1.26 0.13 114.28 112.16 2yuv n THR 52 Ca -0.04 1.54 -0.14 0.00 -2.27 0.00 0.00 64.05 63.14 2yuv n THR 52 Cb 0.60 -2.50 -0.11 0.00 -2.10 0.00 0.00 70.33 66.21 2yuv n THR 52 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2yuv h LYS 53 N 0.00 0.04 -4.72 -0.78 3.64 -1.92 -3.43 116.57 109.40 2yuv h LYS 53 Ca 0.69 -0.04 -0.68 0.00 -1.27 0.00 0.00 60.65 59.35 2yuv h LYS 53 Cb 2.01 0.01 -0.22 0.00 -0.41 0.00 0.00 32.23 33.62 2yuv h LYS 53 CO -0.50 0.77 -0.52 0.71 -2.27 0.00 0.00 179.45 177.64 2yuv s TYR 54 N -3.25 3.20 -0.43 1.91 2.02 0.36 -2.14 117.35 119.03 2yuv s TYR 54 Ca -0.17 -0.52 -0.13 0.00 -0.37 0.00 0.00 57.07 55.87 2yuv s TYR 54 Cb -0.00 -2.41 0.05 0.00 -0.40 0.00 0.00 41.96 39.20 2yuv s TYR 54 CO 0.69 -0.46 0.30 0.42 -1.57 0.00 0.00 175.55 174.94 2yuv s ILE 55 N 1.64 4.89 -0.34 2.71 -1.09 -0.80 -0.28 121.20 127.93 2yuv s ILE 55 Ca 0.05 -1.00 -0.22 0.00 -2.23 0.00 0.00 60.65 57.25 2yuv s ILE 55 Cb -0.18 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 2yuv s ILE 55 CO 0.08 -0.43 0.71 -0.36 -1.23 0.00 0.00 174.94 173.71 2yuv s PHE 56 N 1.59 3.16 -0.23 3.97 0.40 -1.26 -2.72 117.98 122.89 2yuv s PHE 56 Ca 0.04 0.54 -0.01 0.00 -0.60 0.00 0.00 56.93 56.90 2yuv s PHE 56 Cb -0.22 -3.20 0.02 0.00 0.51 0.00 0.00 43.02 40.13 2yuv s PHE 56 CO 0.06 -0.62 -0.10 -1.21 0.70 0.00 0.00 175.22 174.06 2yuv s GLU 57 N 2.85 2.93 -0.36 0.44 2.02 -0.90 -5.00 118.70 120.68 2yuv s GLU 57 Ca 0.28 -0.90 -0.11 0.00 0.02 0.00 0.00 54.97 54.25 2yuv s GLU 57 Cb -0.14 -2.87 0.02 0.00 0.10 0.00 0.00 34.13 31.23 2yuv s GLU 57 CO 0.14 -0.33 0.21 -1.58 0.02 0.00 0.00 175.26 173.73 2yuv s HIS 58 N 1.33 3.23 -0.57 1.61 5.65 -1.26 -1.48 115.29 123.80 2yuv s HIS 58 Ca 0.02 -0.77 0.04 0.00 0.25 0.00 0.00 55.06 54.60 2yuv s HIS 58 Cb -0.15 -2.44 0.14 0.00 -1.18 0.00 0.00 32.58 28.94 2yuv s HIS 58 CO -0.07 -0.58 0.32 0.15 -0.65 0.00 0.00 174.74 173.92 2yuv s LYS 59 N 1.60 2.09 1.45 2.88 1.02 -0.80 -4.99 119.74 122.98 2yuv s LYS 59 Ca 0.03 -2.80 0.00 0.00 0.02 0.00 0.00 55.97 53.22 2yuv s LYS 59 Cb -0.19 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 2yuv s LYS 59 CO 0.07 -1.16 0.00 0.41 -0.92 0.00 0.00 175.35 173.76 2yuv n GLY 60 N 2.82 0.43 2.45 -3.33 0.00 -1.26 -1.90 105.19 104.39 2yuv n GLY 60 Ca 0.09 0.66 -0.14 0.00 0.00 0.00 0.00 46.02 46.63 2yuv n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yuv s GLN 62 N -3.60 0.25 -0.48 0.00 0.74 -0.80 -2.77 119.66 113.00 2yuv s GLN 62 Ca 0.39 0.27 -0.17 0.00 0.05 0.00 0.00 55.36 55.90 2yuv s GLN 62 Cb 0.38 -0.95 0.06 0.00 1.10 0.00 0.00 33.01 33.60 2yuv s GLN 62 CO -0.02 -0.68 0.48 1.03 -0.55 0.00 0.00 175.29 175.55 2yuv s ARG 63 N 2.39 3.04 0.15 1.67 3.00 -0.64 -1.91 118.95 126.66 2yuv s ARG 63 Ca 0.09 -1.11 -0.04 0.00 0.00 0.00 0.00 55.73 54.67 2yuv s ARG 63 Cb -0.15 -4.10 -0.05 0.00 0.00 0.00 0.00 34.95 30.64 2yuv s ARG 63 CO -0.15 -1.07 0.37 0.42 0.00 0.00 0.00 175.30 174.87 2yuv s ILE 64 N 2.05 5.18 -0.03 1.52 1.09 -0.55 -2.91 121.20 127.56 2yuv s ILE 64 Ca 0.09 -0.08 -0.00 0.00 -1.10 0.00 0.00 60.65 59.56 2yuv s ILE 64 Cb -0.22 -3.65 0.03 0.00 -1.06 0.00 0.00 42.46 37.56 2yuv s ILE 64 CO 0.09 -0.01 0.01 -0.22 -0.10 0.00 0.00 174.94 174.71 2yuv s LEU 65 N -2.82 0.96 -0.16 2.97 1.98 0.12 -2.11 118.68 119.62 2yuv s LEU 65 Ca 0.40 -0.00 -0.00 0.00 -2.89 0.00 0.00 54.13 51.64 2yuv s LEU 65 Cb -0.12 -0.20 -0.00 0.00 0.66 0.00 0.00 46.19 46.53 2yuv s LEU 65 CO 0.26 -0.13 -0.14 -0.36 -1.89 0.00 0.00 176.35 174.08 2yuv s PHE 66 N 1.27 2.80 -0.33 5.38 0.08 -1.10 -0.73 117.98 125.35 2yuv s PHE 66 Ca -0.06 -1.00 -0.04 0.00 0.12 0.00 0.00 56.93 55.95 2yuv s PHE 66 Cb -0.13 -1.90 0.05 0.00 -0.57 0.00 0.00 43.02 40.47 2yuv s PHE 66 CO -0.02 -0.46 0.06 0.42 -0.10 0.00 0.00 175.22 175.12 2yuv s ILE 67 N 0.82 3.39 0.48 0.64 1.01 -1.22 -1.90 121.20 124.42 2yuv s ILE 67 Ca -0.05 -1.31 -0.06 0.00 0.00 0.00 0.00 60.65 59.23 2yuv s ILE 67 Cb -0.15 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 2yuv s ILE 67 CO -0.00 -0.18 0.80 0.20 0.00 0.00 0.00 174.94 175.76 2yuv s ASN 68 N 1.37 6.28 -1.00 3.58 0.01 -0.91 -2.79 114.94 121.49 2yuv s ASN 68 Ca -0.03 0.97 -0.06 0.00 -0.71 0.00 0.00 52.86 53.04 2yuv s ASN 68 Cb -0.20 -2.27 0.01 0.00 0.41 0.00 0.00 41.25 39.20 2yuv s ASN 68 CO 0.01 -0.58 0.77 0.59 -1.51 0.00 0.00 177.10 176.38 2yuv n ASN 69 N -2.22 -5.10 -4.55 -1.22 3.02 -0.83 -4.88 115.26 99.49 2yuv n ASN 69 Ca 0.01 -0.35 -0.35 0.00 -0.03 0.00 0.00 54.58 53.86 2yuv n ASN 69 Cb 0.55 -3.74 -0.03 0.00 -0.61 0.00 0.00 39.78 35.95 2yuv n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yuv s GLN 71 N 8.10 3.52 0.28 0.00 2.00 -1.26 0.18 119.66 132.48 2yuv s GLN 71 Ca 0.92 -0.19 0.02 0.00 -2.00 0.00 0.00 55.36 54.11 2yuv s GLN 71 Cb -0.16 -3.06 0.65 0.00 0.80 0.00 0.00 33.01 31.24 2yuv s GLN 71 CO 0.24 0.64 1.75 1.98 -0.50 0.00 0.00 175.29 179.40 2yuv h MET 72 N 3.75 0.59 0.00 1.67 1.85 -1.82 0.57 114.93 121.54 2yuv h MET 72 Ca -0.49 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 58.57 2yuv h MET 72 Cb 1.19 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 33.08 2yuv h MET 72 CO 0.68 0.39 0.00 0.00 -0.40 0.00 0.00 176.91 177.58 2yuv h THR 73 N 0.61 0.00 0.00 -0.77 1.03 -1.94 -2.95 112.91 108.88 2yuv h THR 73 Ca 0.52 -0.59 -0.16 0.00 -0.01 0.00 0.00 66.41 66.17 2yuv h THR 73 Cb 0.84 1.55 -0.02 0.00 -1.07 0.00 0.00 68.15 69.44 2yuv h THR 73 CO -0.41 0.00 -0.82 0.44 -0.01 0.00 0.00 175.52 174.72 2yuv h ASP 74 N 0.00 0.00 -0.89 0.00 3.32 -0.28 -3.45 116.42 115.12 2yuv h ASP 74 Ca 0.00 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.32 2yuv h ASP 74 Cb 0.65 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2yuv h ASP 74 CO 0.00 0.76 1.20 -0.90 -1.72 0.00 0.00 179.24 178.57 2yuv n ASP 75 N -3.26 1.73 -4.04 6.45 5.75 -0.58 -4.91 116.55 117.69 2yuv n ASP 75 Ca -0.00 0.73 -0.17 0.00 -0.01 0.00 0.00 54.79 55.33 2yuv n ASP 75 Cb 0.85 -1.10 -0.09 0.00 -1.03 0.00 0.00 41.12 39.75 2yuv n ASP 75 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2yuv s SER 76 N 5.61 1.21 -0.50 -1.12 0.01 -1.26 -4.97 113.70 112.68 2yuv s SER 76 Ca 1.09 -1.51 -0.22 0.00 1.31 0.00 0.00 55.95 56.62 2yuv s SER 76 Cb -1.15 0.36 0.04 0.00 0.21 0.00 0.00 66.02 65.48 2yuv s SER 76 CO 0.61 -0.86 0.77 -0.70 0.41 0.00 0.00 173.24 173.47 2yuv s GLU 77 N -3.89 3.27 0.21 12.44 2.12 -1.26 -3.55 118.70 128.04 2yuv s GLU 77 Ca 0.37 -0.45 -0.13 0.00 0.36 0.00 0.00 54.97 55.12 2yuv s GLU 77 Cb 0.06 -4.03 -0.07 0.00 0.26 0.00 0.00 34.13 30.34 2yuv s GLU 77 CO 0.17 -1.27 0.60 0.71 -0.54 0.00 0.00 175.26 174.92 2yuv s TYR 78 N 3.26 3.51 -0.14 5.30 1.51 -1.07 -3.70 117.35 126.02 2yuv s TYR 78 Ca 0.24 1.05 -0.07 0.00 -1.01 0.00 0.00 57.07 57.29 2yuv s TYR 78 Cb -0.15 -2.38 0.05 0.00 -0.11 0.00 0.00 41.96 39.37 2yuv s TYR 78 CO 0.17 0.31 0.32 1.52 -1.11 0.00 0.00 175.55 176.76 2yuv s TYR 79 N -1.68 -0.47 0.01 2.71 1.13 -1.11 -1.15 117.35 116.80 2yuv s TYR 79 Ca 0.44 1.04 0.02 0.00 -1.41 0.00 0.00 57.07 57.16 2yuv s TYR 79 Cb -0.13 0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.84 2yuv s TYR 79 CO 0.20 -0.30 0.01 0.54 -2.51 0.00 0.00 175.55 173.49 2yuv s VAL 80 N 1.45 4.18 -0.07 -3.49 0.11 -1.01 -2.60 120.40 118.96 2yuv s VAL 80 Ca -0.08 -0.65 0.05 0.00 -2.93 0.00 0.00 61.98 58.36 2yuv s VAL 80 Cb -0.10 -2.89 -0.00 0.00 -1.53 0.00 0.00 36.38 31.86 2yuv s VAL 80 CO -0.10 0.33 -0.23 0.42 -3.33 0.00 0.00 175.10 172.19 2yuv s THR 81 N -1.13 1.94 -0.31 5.04 -4.23 -1.06 -1.90 115.64 113.98 2yuv s THR 81 Ca 0.21 -0.98 -0.02 0.00 -1.18 0.00 0.00 61.69 59.72 2yuv s THR 81 Cb -0.12 -1.66 0.10 0.00 1.34 0.00 0.00 72.50 72.16 2yuv s THR 81 CO 0.12 0.54 0.11 0.00 -0.54 0.00 0.00 174.62 174.85 2yuv s ALA 82 N 0.11 1.22 0.00 3.99 0.00 0.68 -2.85 121.76 124.91 2yuv s ALA 82 Ca -0.10 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.36 2yuv s ALA 82 Cb -0.15 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.42 2yuv s ALA 82 CO 0.06 -1.67 0.00 0.41 0.00 0.00 0.00 175.76 174.55 2yuv n GLY 83 N 4.95 1.99 1.32 0.00 0.00 -1.26 -2.61 105.19 109.58 2yuv n GLY 83 Ca -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 2yuv n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yuv n ASP 84 N 10.15 3.37 -3.99 1.61 9.92 -1.26 -4.98 116.55 131.37 2yuv n ASP 84 Ca 0.00 -3.45 -0.08 0.00 -0.53 0.00 0.00 54.79 50.73 2yuv n ASP 84 Cb 0.00 -0.65 -0.09 0.00 -0.64 0.00 0.00 41.12 39.74 2yuv n ASP 84 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2yuv s GLU 85 N -3.09 0.70 -0.11 -1.24 0.41 -1.07 -5.05 118.70 109.23 2yuv s GLU 85 Ca 0.47 -1.09 -0.30 0.00 -0.41 0.00 0.00 54.97 53.63 2yuv s GLU 85 Cb 0.40 0.26 0.11 0.00 -1.78 0.00 0.00 34.13 33.12 2yuv s GLU 85 CO 0.06 -0.17 0.90 -1.59 -0.49 0.00 0.00 175.26 173.96 2yuv s LYS 86 N -3.81 0.75 0.33 1.61 -2.85 -1.26 -0.23 119.74 114.27 2yuv s LYS 86 Ca 0.05 0.13 0.03 0.00 -1.00 0.00 0.00 55.97 55.18 2yuv s LYS 86 Cb 0.06 0.35 -0.05 0.00 -2.06 0.00 0.00 37.83 36.14 2yuv s LYS 86 CO -0.10 -0.24 0.10 0.00 0.10 0.00 0.00 175.35 175.20 2yuv s SER 88 N -3.46 0.63 0.16 0.00 0.01 -1.26 -2.40 113.70 107.37 2yuv s SER 88 Ca 0.34 -0.89 -0.12 0.00 1.31 0.00 0.00 55.95 56.59 2yuv s SER 88 Cb 0.07 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.45 2yuv s SER 88 CO 0.15 -0.49 0.35 0.28 0.41 0.00 0.00 173.24 173.94 2yuv s THR 89 N -3.26 0.06 -0.09 1.44 -1.32 -0.30 -4.84 115.64 107.33 2yuv s THR 89 Ca 0.03 -1.12 0.02 0.00 -1.21 0.00 0.00 61.69 59.41 2yuv s THR 89 Cb 0.03 -1.65 -0.02 0.00 -1.51 0.00 0.00 72.50 69.35 2yuv s THR 89 CO -0.07 -0.28 -0.14 -1.61 -2.21 0.00 0.00 174.62 170.31 2yuv s GLU 90 N -3.91 2.93 -0.25 7.08 0.41 -1.26 -2.60 118.70 121.11 2yuv s GLU 90 Ca 0.12 -0.70 -0.08 0.00 -0.41 0.00 0.00 54.97 53.90 2yuv s GLU 90 Cb 0.02 -2.49 -0.04 0.00 -1.78 0.00 0.00 34.13 29.85 2yuv s GLU 90 CO -0.03 0.41 0.10 -1.17 -0.49 0.00 0.00 175.26 174.08 2yuv s LEU 91 N -0.18 3.62 -0.55 1.80 1.98 -1.23 -0.59 118.68 123.53 2yuv s LEU 91 Ca -0.00 -0.12 -0.02 0.00 -2.89 0.00 0.00 54.13 51.09 2yuv s LEU 91 Cb -0.13 -1.97 0.14 0.00 0.66 0.00 0.00 46.19 44.89 2yuv s LEU 91 CO 0.03 -0.01 0.36 -0.36 -1.89 0.00 0.00 176.35 174.48 2yuv s PHE 92 N 1.47 3.45 -0.40 5.38 0.08 -0.86 -4.46 117.98 122.64 2yuv s PHE 92 Ca 0.06 -2.65 -0.18 0.00 0.12 0.00 0.00 56.93 54.28 2yuv s PHE 92 Cb -0.15 -3.19 0.01 0.00 -0.57 0.00 0.00 43.02 39.13 2yuv s PHE 92 CO 0.05 -0.88 0.48 0.54 -0.10 0.00 0.00 175.22 175.32 2yuv s VAL 93 N 0.29 5.03 1.23 -0.44 0.11 -1.26 -2.32 120.40 123.04 2yuv s VAL 93 Ca 0.14 -0.04 -0.15 0.00 -2.93 0.00 0.00 61.98 59.00 2yuv s VAL 93 Cb -0.21 -4.02 0.29 0.00 -1.53 0.00 0.00 36.38 30.91 2yuv s VAL 93 CO -0.03 -0.36 0.87 0.54 -3.33 0.00 0.00 175.10 172.78 2yuv n ARG 94 N 5.73 -2.83 0.00 1.54 1.74 0.63 -4.37 116.66 119.10 2yuv n ARG 94 Ca -0.06 -0.81 0.00 0.00 -0.77 0.00 0.00 57.85 56.21 2yuv n ARG 94 Cb 0.48 -2.06 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 2yuv n ARG 94 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2yuv n SER 95 N -4.72 0.00 0.00 0.55 2.88 -1.26 -1.82 113.62 109.25 2yuv n SER 95 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2yuv n SER 95 Cb 0.55 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 2yuv n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuv n GLY 96 N 3.14 1.75 0.16 0.46 0.00 -1.26 -4.39 105.19 105.05 2yuv n GLY 96 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2yuv n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuv h PRO 97 N 0.00 0.02 -6.05 1.61 0.13 -2.05 -3.41 132.00 122.25 2yuv h PRO 97 Ca 0.00 -0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.61 2yuv h PRO 97 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2yuv h PRO 97 CO 0.00 0.50 1.30 0.45 -0.23 0.00 0.00 178.00 180.03 2yuv s SER 98 N -6.89 5.43 0.83 1.44 0.15 -1.26 -4.96 113.70 108.44 2yuv s SER 98 Ca -0.02 0.23 -0.15 0.00 0.70 0.00 0.00 55.95 56.70 2yuv s SER 98 Cb 0.14 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.86 2yuv s SER 98 CO 0.75 -2.27 0.17 -0.24 1.20 0.00 0.00 173.24 172.84 2yuv n SER 99 N 12.14 -2.65 0.00 5.45 2.88 -1.26 -5.23 113.62 124.94 2yuv n SER 99 Ca 0.18 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 2yuv n SER 99 Cb 0.51 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 2yuv n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42