#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 -0.35 0.41 1.61 0.15 -1.26 -5.19 113.70 109.07 2yuv s SER 2 Ca 0.00 0.17 0.07 0.00 0.70 0.00 0.00 55.95 56.89 2yuv s SER 2 Cb 0.00 0.34 -0.08 0.00 -1.71 0.00 0.00 66.02 64.57 2yuv s SER 2 CO 0.00 -0.48 0.01 -0.44 1.20 0.00 0.00 173.24 173.53 2yuv s SER 3 N -1.89 3.88 -0.80 5.45 0.01 -1.26 -5.10 113.70 113.99 2yuv s SER 3 Ca 0.02 -1.36 -0.08 0.00 1.31 0.00 0.00 55.95 55.84 2yuv s SER 3 Cb -0.01 -0.40 0.21 0.00 0.21 0.00 0.00 66.02 66.03 2yuv s SER 3 CO -0.04 -0.44 0.69 -0.83 0.41 0.00 0.00 173.24 173.03 2yuv s GLY 4 N -3.71 2.73 0.20 3.44 0.00 -1.26 -5.04 107.32 103.68 2yuv s GLY 4 Ca 0.35 -3.43 0.11 0.00 0.00 0.00 0.00 44.72 41.75 2yuv s GLY 4 CO 0.18 1.20 -0.22 -0.56 0.00 0.00 0.00 173.10 173.70 2yuv s SER 5 N 1.26 3.53 -0.09 1.64 0.01 -1.26 -5.07 113.70 113.72 2yuv s SER 5 Ca 0.20 -0.85 -0.08 0.00 1.31 0.00 0.00 55.95 56.53 2yuv s SER 5 Cb -0.13 -0.31 -0.05 0.00 0.21 0.00 0.00 66.02 65.75 2yuv s SER 5 CO -0.07 0.11 -0.18 -1.20 0.41 0.00 0.00 173.24 172.31 2yuv n SER 6 N 0.16 1.23 0.00 2.44 7.64 -1.26 -5.03 113.62 118.79 2yuv n SER 6 Ca -0.12 0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2yuv n SER 6 Cb 0.56 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2yuv n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuv n GLY 7 N 2.30 0.00 3.04 0.23 0.00 -1.26 -5.14 105.19 104.36 2yuv n GLY 7 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 2yuv n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yuv s ALA 8 N 0.00 -1.79 -0.12 4.61 0.00 -1.26 -5.02 121.76 118.18 2yuv s ALA 8 Ca 0.00 1.15 0.09 0.00 0.00 0.00 0.00 51.96 53.20 2yuv s ALA 8 Cb 0.00 -2.10 -0.14 0.00 0.00 0.00 0.00 23.12 20.89 2yuv s ALA 8 CO 0.00 -1.49 0.01 0.00 0.00 0.00 0.00 175.76 174.28 2yuv n ALA 9 N 5.40 1.70 -3.25 0.00 0.00 -1.26 -4.67 120.51 118.42 2yuv n ALA 9 Ca -0.00 -0.76 -0.43 0.00 0.00 0.00 0.00 53.44 52.25 2yuv n ALA 9 Cb 0.51 0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.29 3.31 0.41 0.00 0.08 -1.26 -1.34 117.98 116.90 2yuv s PHE 10 Ca -0.09 -1.40 0.21 0.00 0.12 0.00 0.00 56.93 55.78 2yuv s PHE 10 Cb 0.04 -3.37 1.20 0.00 -0.57 0.00 0.00 43.02 40.33 2yuv s PHE 10 CO 0.46 -0.92 2.01 0.00 -0.10 0.00 0.00 175.22 176.67 2yuv h ALA 11 N 8.63 1.41 -2.27 5.36 0.00 -1.72 -3.40 119.26 127.27 2yuv h ALA 11 Ca -0.26 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.27 2yuv h ALA 11 Cb 1.09 -0.03 -0.33 0.00 0.00 0.00 0.00 17.79 18.53 2yuv h ALA 11 CO 0.89 0.22 -0.55 0.21 0.00 0.00 0.00 179.25 180.02 2yuv s LYS 12 N -4.32 0.26 0.75 0.00 2.47 -1.25 -4.94 119.74 112.72 2yuv s LYS 12 Ca -0.03 0.42 -0.08 0.00 -1.56 0.00 0.00 55.97 54.72 2yuv s LYS 12 Cb 0.14 -0.74 0.09 0.00 -1.46 0.00 0.00 37.83 35.86 2yuv s LYS 12 CO 0.64 -0.61 1.07 0.96 0.16 0.00 0.00 175.35 177.58 2yuv s ILE 13 N 2.44 2.19 0.98 5.43 -4.36 -1.26 -1.71 121.20 124.91 2yuv s ILE 13 Ca 0.09 -0.24 -0.16 0.00 -0.26 0.00 0.00 60.65 60.07 2yuv s ILE 13 Cb -0.15 -2.95 0.21 0.00 1.25 0.00 0.00 42.46 40.82 2yuv s ILE 13 CO -0.13 0.00 1.33 -0.76 0.24 0.00 0.00 174.94 175.61 2yuv s LEU 14 N -5.36 2.67 0.58 0.37 1.02 -1.26 -4.94 118.68 111.76 2yuv s LEU 14 Ca 0.63 0.24 -0.12 0.00 0.02 0.00 0.00 54.13 54.89 2yuv s LEU 14 Cb -0.09 -2.23 -0.05 0.00 0.02 0.00 0.00 46.19 43.83 2yuv s LEU 14 CO 0.46 -2.84 1.00 -1.81 0.02 0.00 0.00 176.35 173.19 2yuv s ASP 15 N -4.89 6.34 0.22 2.29 1.11 -1.26 -4.95 116.67 115.53 2yuv s ASP 15 Ca 0.75 1.44 0.22 0.00 0.18 0.00 0.00 52.55 55.14 2yuv s ASP 15 Cb -0.03 -2.47 0.93 0.00 1.07 0.00 0.00 42.92 42.42 2yuv s ASP 15 CO 0.53 -0.78 1.67 -0.81 1.18 0.00 0.00 175.17 176.97 2yuv n PRO 16 N -2.39 0.17 -3.65 8.23 -0.04 -1.26 -4.53 135.00 131.53 2yuv n PRO 16 Ca 0.06 0.40 -0.01 0.00 -0.04 0.00 0.00 63.50 63.91 2yuv n PRO 16 Cb 0.54 -1.82 -0.06 0.00 -0.04 0.00 0.00 33.50 32.11 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 -3.28 -2.38 0.36 0.55 0.00 -1.26 -3.94 121.76 111.81 2yuv s ALA 17 Ca 0.04 1.98 0.08 0.00 0.00 0.00 0.00 51.96 54.06 2yuv s ALA 17 Cb 0.09 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 2yuv s ALA 17 CO 0.37 -0.27 0.27 0.71 0.00 0.00 0.00 175.76 176.84 2yuv s TYR 18 N 0.84 2.80 -0.13 0.00 1.51 0.29 -4.97 117.35 117.69 2yuv s TYR 18 Ca -0.04 -0.38 -0.06 0.00 -1.01 0.00 0.00 57.07 55.58 2yuv s TYR 18 Cb -0.03 -1.86 0.06 0.00 -0.11 0.00 0.00 41.96 40.01 2yuv s TYR 18 CO -0.12 0.14 0.30 -0.65 -1.11 0.00 0.00 175.55 174.11 2yuv s GLN 19 N -3.99 0.23 0.13 -0.62 1.11 -1.26 -1.79 119.66 113.46 2yuv s GLN 19 Ca 0.42 0.71 -0.03 0.00 0.01 0.00 0.00 55.36 56.47 2yuv s GLN 19 Cb -0.04 -0.02 -0.03 0.00 -1.01 0.00 0.00 33.01 31.91 2yuv s GLN 19 CO 0.26 -0.22 0.11 0.54 0.01 0.00 0.00 175.29 175.99 2yuv s VAL 20 N 1.86 0.10 0.21 1.09 0.11 -1.01 -5.00 120.40 117.75 2yuv s VAL 20 Ca -0.05 -1.75 -0.16 0.00 -2.93 0.00 0.00 61.98 57.09 2yuv s VAL 20 Cb -0.11 -1.93 -0.08 0.00 -1.53 0.00 0.00 36.38 32.73 2yuv s VAL 20 CO -0.10 -0.47 0.64 -1.81 -3.33 0.00 0.00 175.10 170.04 2yuv s ASP 21 N -3.01 6.90 0.71 3.54 1.01 -1.26 -1.02 116.67 123.53 2yuv s ASP 21 Ca 0.21 1.23 -0.17 0.00 0.71 0.00 0.00 52.55 54.52 2yuv s ASP 21 Cb 0.06 -2.35 -0.13 0.00 1.01 0.00 0.00 42.92 41.52 2yuv s ASP 21 CO 0.00 0.02 -0.23 1.17 0.21 0.00 0.00 175.17 176.34 2yuv n LYS 22 N 0.54 0.05 -3.43 8.23 4.81 0.06 -0.82 118.16 127.60 2yuv n LYS 22 Ca -0.02 0.02 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 2yuv n LYS 22 Cb 0.52 -1.15 -0.04 0.00 0.02 0.00 0.00 35.03 34.37 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 2.68 -0.38 0.00 3.14 0.00 0.57 -4.78 105.19 106.42 2yuv n GLY 23 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.78 2.72 2.94 -0.02 0.00 0.00 -4.43 105.19 105.62 2yuv n GLY 24 Ca 0.07 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.17 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 0.11 0.41 1.61 3.52 -1.26 -1.76 118.95 126.05 2yuv s ARG 25 Ca 0.00 0.60 0.01 0.00 -0.13 0.00 0.00 55.73 56.21 2yuv s ARG 25 Cb 0.00 -0.15 -0.01 0.00 -1.56 0.00 0.00 34.95 33.23 2yuv s ARG 25 CO 0.00 -0.26 0.61 0.14 -0.81 0.00 0.00 175.30 174.99 2yuv s VAL 26 N 2.03 4.22 -0.12 7.11 -7.23 -1.14 -4.93 120.40 120.35 2yuv s VAL 26 Ca -0.01 -0.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.61 2yuv s VAL 26 Cb -0.12 -3.54 0.01 0.00 0.56 0.00 0.00 36.38 33.29 2yuv s VAL 26 CO -0.07 -0.35 -0.19 -0.60 -0.31 0.00 0.00 175.10 173.58 2yuv s ARG 27 N -4.45 2.61 -0.22 4.82 3.52 -1.26 -3.56 118.95 120.42 2yuv s ARG 27 Ca 0.46 -0.71 -0.03 0.00 -0.13 0.00 0.00 55.73 55.32 2yuv s ARG 27 Cb -0.10 -2.15 0.07 0.00 -1.56 0.00 0.00 34.95 31.21 2yuv s ARG 27 CO 0.36 -0.03 0.06 -0.06 -0.81 0.00 0.00 175.30 174.83 2yuv s PHE 28 N 0.87 0.95 0.12 5.12 0.08 -0.34 -5.00 117.98 119.77 2yuv s PHE 28 Ca -0.08 -0.93 0.07 0.00 0.12 0.00 0.00 56.93 56.12 2yuv s PHE 28 Cb -0.15 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 2yuv s PHE 28 CO -0.01 -0.66 -0.17 0.54 -0.10 0.00 0.00 175.22 174.81 2yuv s VAL 29 N 1.88 1.51 0.15 -0.44 0.11 -1.26 0.13 120.40 122.49 2yuv s VAL 29 Ca 0.02 -1.63 -0.04 0.00 -2.93 0.00 0.00 61.98 57.40 2yuv s VAL 29 Cb -0.17 -1.52 -0.03 0.00 -1.53 0.00 0.00 36.38 33.13 2yuv s VAL 29 CO -0.14 -0.25 0.15 0.68 -3.33 0.00 0.00 175.10 172.21 2yuv s VAL 30 N -1.66 0.08 0.14 2.04 -7.23 -0.51 -4.50 120.40 108.77 2yuv s VAL 30 Ca 0.08 -1.73 0.08 0.00 -1.81 0.00 0.00 61.98 58.60 2yuv s VAL 30 Cb -0.08 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 2yuv s VAL 30 CO 0.04 -0.35 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.59 2yuv s GLU 31 N -4.03 1.21 -0.06 4.82 2.12 -0.70 -2.17 118.70 119.89 2yuv s GLU 31 Ca 0.23 -1.32 0.01 0.00 0.36 0.00 0.00 54.97 54.26 2yuv s GLU 31 Cb 0.06 -1.32 0.02 0.00 0.26 0.00 0.00 34.13 33.14 2yuv s GLU 31 CO 0.02 0.28 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.43 2yuv s LEU 32 N -2.41 1.46 0.60 2.70 1.43 -1.01 -2.18 118.68 119.27 2yuv s LEU 32 Ca 0.12 -0.22 0.29 0.00 -1.03 0.00 0.00 54.13 53.29 2yuv s LEU 32 Cb -0.07 -0.66 1.53 0.00 0.03 0.00 0.00 46.19 47.02 2yuv s LEU 32 CO 0.06 -0.02 1.95 0.00 0.23 0.00 0.00 176.35 178.56 2yuv h ALA 33 N 7.18 2.02 -2.40 4.21 0.00 -1.48 -3.42 119.26 125.37 2yuv h ALA 33 Ca -0.33 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2yuv h ALA 33 Cb 1.17 0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.76 2yuv h ALA 33 CO 0.46 -0.58 -0.08 -0.51 0.00 0.00 0.00 179.25 178.54 2yuv s ASP 34 N -5.29 -0.53 0.34 0.00 1.11 -1.26 -5.03 116.67 106.01 2yuv s ASP 34 Ca -0.04 0.93 0.26 0.00 0.18 0.00 0.00 52.55 53.88 2yuv s ASP 34 Cb 0.15 0.95 1.10 0.00 1.07 0.00 0.00 42.92 46.18 2yuv s ASP 34 CO 0.53 -0.26 1.79 1.55 1.18 0.00 0.00 175.17 179.95 2yuv h PRO 35 N 4.88 0.00 -0.95 8.23 0.13 -1.97 -3.11 132.00 139.20 2yuv h PRO 35 Ca -0.28 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.95 2yuv h PRO 35 Cb 1.17 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 2yuv h PRO 35 CO 0.22 0.00 0.59 0.87 -0.23 0.00 0.00 178.00 179.45 2yuv h LYS 36 N 0.00 0.95 -7.27 0.86 1.57 -1.97 -3.42 116.57 107.30 2yuv h LYS 36 Ca 0.00 -0.06 -0.51 0.00 -1.87 0.00 0.00 60.65 58.21 2yuv h LYS 36 Cb 0.39 -0.21 0.11 0.00 0.08 0.00 0.00 32.23 32.59 2yuv h LYS 36 CO 0.00 0.63 0.35 -0.51 -0.57 0.00 0.00 179.45 179.35 2yuv s LEU 37 N -10.23 3.22 0.39 2.94 1.43 -1.18 -5.06 118.68 110.18 2yuv s LEU 37 Ca -0.12 1.84 0.08 0.00 -1.03 0.00 0.00 54.13 54.89 2yuv s LEU 37 Cb 0.21 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.88 2yuv s LEU 37 CO 0.80 -1.70 0.38 -0.70 0.23 0.00 0.00 176.35 175.37 2yuv s GLU 38 N -4.58 2.67 0.07 1.70 2.12 -1.26 -4.96 118.70 114.46 2yuv s GLU 38 Ca 0.63 -1.39 0.06 0.00 0.36 0.00 0.00 54.97 54.63 2yuv s GLU 38 Cb -0.17 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.70 2yuv s GLU 38 CO 0.49 -0.10 -0.17 0.14 -0.54 0.00 0.00 175.26 175.08 2yuv s VAL 39 N -2.38 1.36 -0.16 3.70 -7.23 -1.26 -4.02 120.40 110.41 2yuv s VAL 39 Ca 0.47 -1.32 -0.07 0.00 -1.81 0.00 0.00 61.98 59.25 2yuv s VAL 39 Cb -0.05 -1.25 0.07 0.00 0.56 0.00 0.00 36.38 35.70 2yuv s VAL 39 CO 0.28 -0.09 0.36 -0.54 -0.31 0.00 0.00 175.10 174.80 2yuv s LYS 40 N -1.64 0.28 -0.13 4.82 1.02 -1.12 -4.97 119.74 118.00 2yuv s LYS 40 Ca 0.02 0.85 -0.14 0.00 0.02 0.00 0.00 55.97 56.73 2yuv s LYS 40 Cb -0.10 0.11 -0.05 0.00 -0.52 0.00 0.00 37.83 37.27 2yuv s LYS 40 CO 0.03 -0.23 0.32 -1.58 -0.92 0.00 0.00 175.35 172.97 2yuv s TRP 41 N 2.13 3.52 0.01 3.18 0.52 -1.26 -2.40 118.94 124.64 2yuv s TRP 41 Ca -0.04 0.69 0.05 0.00 0.02 0.00 0.00 56.10 56.82 2yuv s TRP 41 Cb -0.11 -2.32 -0.02 0.00 -1.15 0.00 0.00 33.47 29.87 2yuv s TRP 41 CO -0.11 0.34 -0.15 0.71 0.02 0.00 0.00 176.95 177.76 2yuv s TYR 42 N 0.10 1.35 -0.31 -1.98 1.51 -1.07 -1.75 117.35 115.20 2yuv s TYR 42 Ca 0.19 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.98 2yuv s TYR 42 Cb -0.14 -0.85 0.09 0.00 -0.11 0.00 0.00 41.96 40.96 2yuv s TYR 42 CO 0.06 0.00 0.04 0.21 -1.11 0.00 0.00 175.55 174.76 2yuv s LYS 43 N -0.61 1.28 -0.72 -0.62 2.20 0.45 -2.55 119.74 119.17 2yuv s LYS 43 Ca 0.05 -1.45 -0.04 0.00 -0.36 0.00 0.00 55.97 54.17 2yuv s LYS 43 Cb -0.06 -2.70 0.00 0.00 -1.51 0.00 0.00 37.83 33.56 2yuv s LYS 43 CO 0.00 -0.89 0.47 -1.71 -0.36 0.00 0.00 175.35 172.87 2yuv n ASN 44 N 4.52 -4.05 -1.12 1.43 2.85 -0.80 -3.23 115.26 114.85 2yuv n ASN 44 Ca -0.01 -0.22 -0.07 0.00 -0.11 0.00 0.00 54.58 54.17 2yuv n ASN 44 Cb 0.42 -2.76 0.01 0.00 1.24 0.00 0.00 39.78 38.70 2yuv n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2yuv n GLY 45 N -1.21 0.30 2.99 8.20 0.00 -1.26 -5.04 105.19 109.17 2yuv n GLY 45 Ca -0.02 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.89 0.15 0.27 1.61 -1.52 -1.20 -5.13 119.66 108.95 2yuv s GLN 46 Ca 0.10 0.38 -0.30 0.00 -1.95 0.00 0.00 55.36 53.59 2yuv s GLN 46 Cb -0.04 -0.09 -0.11 0.00 -0.22 0.00 0.00 33.01 32.54 2yuv s GLN 46 CO 0.12 -0.13 1.55 -2.00 -0.25 0.00 0.00 175.29 174.58 2yuv s GLU 47 N 0.93 4.17 0.00 2.91 2.12 -1.26 -0.41 118.70 127.16 2yuv s GLU 47 Ca -0.07 2.49 -0.17 0.00 0.36 0.00 0.00 54.97 57.58 2yuv s GLU 47 Cb -0.09 -3.05 -0.06 0.00 0.26 0.00 0.00 34.13 31.19 2yuv s GLU 47 CO -0.05 -0.57 0.48 0.42 -0.54 0.00 0.00 175.26 175.00 2yuv s ILE 48 N 0.06 4.96 -0.14 -3.70 1.01 -0.72 -4.86 121.20 117.81 2yuv s ILE 48 Ca 0.63 1.00 -0.08 0.00 0.00 0.00 0.00 60.65 62.20 2yuv s ILE 48 Cb -0.46 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 2yuv s ILE 48 CO 0.46 0.52 0.14 0.00 0.00 0.00 0.00 174.94 176.05 2yuv s ARG 49 N -0.73 3.67 -0.04 2.79 1.70 -1.26 -4.88 118.95 120.19 2yuv s ARG 49 Ca 0.26 -0.16 -0.30 0.00 -0.47 0.00 0.00 55.73 55.06 2yuv s ARG 49 Cb -0.17 -3.26 -0.05 0.00 -0.57 0.00 0.00 34.95 30.90 2yuv s ARG 49 CO 0.15 0.63 1.48 -1.25 -1.08 0.00 0.00 175.30 175.23 2yuv s PRO 50 N -0.59 4.23 0.34 3.89 0.04 -1.26 -4.69 135.00 136.96 2yuv s PRO 50 Ca 0.13 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 63.01 2yuv s PRO 50 Cb -0.12 -3.75 0.04 0.00 0.04 0.00 0.00 34.50 30.72 2yuv s PRO 50 CO 0.02 -0.70 0.76 0.45 0.04 0.00 0.00 177.00 177.57 2yuv s SER 51 N 2.44 -0.11 0.45 6.66 0.15 -1.11 -4.96 113.70 117.21 2yuv s SER 51 Ca 0.66 -0.91 0.31 0.00 0.70 0.00 0.00 55.95 56.71 2yuv s SER 51 Cb -0.31 0.80 1.42 0.00 -1.71 0.00 0.00 66.02 66.22 2yuv s SER 51 CO 0.26 -1.54 1.64 0.74 1.20 0.00 0.00 173.24 175.54 2yuv h THR 52 N 2.00 0.16 -0.12 6.45 2.02 -1.99 0.56 112.91 121.99 2yuv h THR 52 Ca -0.26 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 2yuv h THR 52 Cb 1.25 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2yuv h THR 52 CO 0.33 0.02 -0.16 0.50 0.37 0.00 0.00 175.52 176.57 2yuv h LYS 53 N 0.10 0.33 -4.67 6.66 3.64 -1.92 -3.42 116.57 117.29 2yuv h LYS 53 Ca 0.80 -0.19 -0.69 0.00 -1.27 0.00 0.00 60.65 59.30 2yuv h LYS 53 Cb 2.55 0.01 -0.20 0.00 -0.41 0.00 0.00 32.23 34.18 2yuv h LYS 53 CO -0.36 0.76 -0.49 0.71 -2.27 0.00 0.00 179.45 177.80 2yuv s TYR 54 N -4.16 3.22 -0.46 1.91 2.02 0.20 -2.28 117.35 117.80 2yuv s TYR 54 Ca -0.14 -0.41 -0.17 0.00 -0.37 0.00 0.00 57.07 55.98 2yuv s TYR 54 Cb 0.05 -2.48 0.05 0.00 -0.40 0.00 0.00 41.96 39.18 2yuv s TYR 54 CO 0.75 -0.45 0.44 0.42 -1.57 0.00 0.00 175.55 175.14 2yuv s ILE 55 N 1.68 5.13 -0.29 2.71 -1.09 -0.36 -2.75 121.20 126.23 2yuv s ILE 55 Ca 0.05 -0.73 -0.14 0.00 -2.23 0.00 0.00 60.65 57.60 2yuv s ILE 55 Cb -0.18 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.55 2yuv s ILE 55 CO 0.09 -0.56 0.34 -0.36 -1.23 0.00 0.00 174.94 173.23 2yuv s PHE 56 N 1.96 3.23 -0.05 3.97 0.40 -1.26 -2.43 117.98 123.81 2yuv s PHE 56 Ca 0.08 0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.70 2yuv s PHE 56 Cb -0.21 -2.56 0.02 0.00 0.51 0.00 0.00 43.02 40.78 2yuv s PHE 56 CO 0.10 -0.26 -0.06 -1.21 0.70 0.00 0.00 175.22 174.49 2yuv s GLU 57 N 2.01 0.98 -0.16 0.44 0.41 -0.87 -4.99 118.70 116.52 2yuv s GLU 57 Ca 0.13 -0.16 -0.03 0.00 -0.41 0.00 0.00 54.97 54.51 2yuv s GLU 57 Cb -0.16 -0.95 -0.02 0.00 -1.78 0.00 0.00 34.13 31.22 2yuv s GLU 57 CO 0.10 -0.07 -0.07 -3.38 -0.49 0.00 0.00 175.26 171.36 2yuv s HIS 58 N 0.90 2.94 -0.22 1.61 -3.43 -1.26 -0.25 115.29 115.58 2yuv s HIS 58 Ca -0.11 -0.56 -0.04 0.00 -0.80 0.00 0.00 55.06 53.55 2yuv s HIS 58 Cb -0.15 -1.96 0.11 0.00 -1.43 0.00 0.00 32.58 29.16 2yuv s HIS 58 CO 0.01 -0.21 0.29 0.21 -2.00 0.00 0.00 174.74 173.03 2yuv s LYS 59 N 0.62 0.25 -0.11 -0.38 2.20 0.50 -4.97 119.74 117.85 2yuv s LYS 59 Ca -0.04 0.36 -0.04 0.00 -0.36 0.00 0.00 55.97 55.89 2yuv s LYS 59 Cb -0.15 -0.86 0.01 0.00 -1.51 0.00 0.00 37.83 35.32 2yuv s LYS 59 CO 0.03 -0.63 0.08 0.41 -0.36 0.00 0.00 175.35 174.87 2yuv n GLY 60 N 5.34 -0.79 3.75 5.54 0.00 -1.26 -2.06 105.19 115.72 2yuv n GLY 60 Ca -0.05 0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -5.88 0.26 -0.22 0.00 0.74 -0.87 -2.40 119.66 111.29 2yuv s GLN 62 Ca 0.23 0.45 -0.08 0.00 0.05 0.00 0.00 55.36 56.01 2yuv s GLN 62 Cb -0.13 -0.68 -0.04 0.00 1.10 0.00 0.00 33.01 33.26 2yuv s GLN 62 CO 0.72 -0.58 0.09 1.03 -0.55 0.00 0.00 175.29 176.00 2yuv s ARG 63 N 2.45 3.87 0.04 1.67 1.81 -0.92 -0.37 118.95 127.50 2yuv s ARG 63 Ca 0.08 -0.38 0.03 0.00 -1.72 0.00 0.00 55.73 53.75 2yuv s ARG 63 Cb -0.15 -3.33 -0.04 0.00 -0.45 0.00 0.00 34.95 30.98 2yuv s ARG 63 CO -0.13 0.05 -0.01 0.42 -0.68 0.00 0.00 175.30 174.94 2yuv s ILE 64 N 1.01 3.98 -0.04 1.52 1.09 0.65 -1.42 121.20 127.99 2yuv s ILE 64 Ca 0.05 -0.83 -0.00 0.00 -1.10 0.00 0.00 60.65 58.77 2yuv s ILE 64 Cb -0.14 -2.83 0.03 0.00 -1.06 0.00 0.00 42.46 38.46 2yuv s ILE 64 CO 0.03 0.26 0.00 -0.22 -0.10 0.00 0.00 174.94 174.91 2yuv s LEU 65 N -1.89 0.98 -0.12 2.97 1.98 0.35 -2.05 118.68 120.90 2yuv s LEU 65 Ca 0.22 -0.04 0.03 0.00 -2.89 0.00 0.00 54.13 51.45 2yuv s LEU 65 Cb -0.11 -0.29 0.01 0.00 0.66 0.00 0.00 46.19 46.45 2yuv s LEU 65 CO 0.13 -0.13 -0.23 -0.36 -1.89 0.00 0.00 176.35 173.88 2yuv s PHE 66 N 1.30 2.56 -0.27 5.38 0.08 -1.02 -1.20 117.98 124.81 2yuv s PHE 66 Ca -0.06 -1.16 -0.02 0.00 0.12 0.00 0.00 56.93 55.81 2yuv s PHE 66 Cb -0.13 -1.73 0.03 0.00 -0.57 0.00 0.00 43.02 40.62 2yuv s PHE 66 CO -0.02 -0.50 -0.02 0.42 -0.10 0.00 0.00 175.22 174.99 2yuv s ILE 67 N 0.57 3.06 0.42 0.64 1.01 -1.23 -1.22 121.20 124.44 2yuv s ILE 67 Ca -0.13 -1.08 -0.06 0.00 0.00 0.00 0.00 60.65 59.38 2yuv s ILE 67 Cb -0.17 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 2yuv s ILE 67 CO 0.04 0.09 0.72 0.20 0.00 0.00 0.00 174.94 175.99 2yuv s ASN 68 N 1.33 6.36 -0.76 3.58 0.01 -0.97 -2.87 114.94 121.62 2yuv s ASN 68 Ca -0.01 0.89 -0.01 0.00 -0.71 0.00 0.00 52.86 53.02 2yuv s ASN 68 Cb -0.18 -2.22 0.00 0.00 0.41 0.00 0.00 41.25 39.26 2yuv s ASN 68 CO -0.02 -0.44 0.64 0.59 -1.51 0.00 0.00 177.10 176.35 2yuv n ASN 69 N -1.77 -2.36 -4.55 -1.22 3.02 -0.72 -4.90 115.26 102.75 2yuv n ASN 69 Ca -0.00 -0.38 -0.36 0.00 -0.03 0.00 0.00 54.58 53.81 2yuv n ASN 69 Cb 0.55 -3.38 -0.03 0.00 -0.61 0.00 0.00 39.78 36.31 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 6.98 3.34 0.35 0.00 2.00 -1.26 0.21 119.66 131.28 2yuv s GLN 71 Ca 0.67 -0.65 0.15 0.00 -2.00 0.00 0.00 55.36 53.53 2yuv s GLN 71 Cb -0.11 -2.91 1.13 0.00 0.80 0.00 0.00 33.01 31.92 2yuv s GLN 71 CO 0.15 0.51 1.62 0.52 -0.50 0.00 0.00 175.29 177.60 2yuv h MET 72 N 2.17 0.15 -0.44 1.67 2.86 -1.88 1.15 114.93 120.62 2yuv h MET 72 Ca -0.48 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.07 2yuv h MET 72 Cb 1.20 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.80 2yuv h MET 72 CO 0.68 0.10 -0.04 1.79 1.06 0.00 0.00 176.91 180.49 2yuv h THR 73 N 0.16 1.24 -0.69 2.22 1.35 -1.94 -2.96 112.91 112.29 2yuv h THR 73 Ca 0.75 -1.03 0.14 0.00 -0.55 0.00 0.00 66.41 65.72 2yuv h THR 73 Cb 1.82 0.95 -0.10 0.00 -1.73 0.00 0.00 68.15 69.09 2yuv h THR 73 CO -0.70 0.36 0.18 -0.78 -0.25 0.00 0.00 175.52 174.32 2yuv h ASP 74 N 0.68 0.04 0.00 5.36 3.58 0.10 -3.40 116.42 122.79 2yuv h ASP 74 Ca 0.13 0.13 -0.30 0.00 0.42 0.00 0.00 57.03 57.41 2yuv h ASP 74 Cb 0.48 0.17 -0.08 0.00 1.72 0.00 0.00 39.33 41.62 2yuv h ASP 74 CO 0.02 -0.00 1.44 -0.67 -2.88 0.00 0.00 179.24 177.16 2yuv n ASP 75 N -5.13 -0.65 -4.29 2.28 2.03 -1.12 -4.81 116.55 104.86 2yuv n ASP 75 Ca 0.12 -0.22 -0.16 0.00 0.52 0.00 0.00 54.79 55.05 2yuv n ASP 75 Cb 0.41 -0.49 -0.10 0.00 -0.72 0.00 0.00 41.12 40.21 2yuv n ASP 75 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2yuv s SER 76 N 2.27 1.16 -0.13 1.67 0.15 -1.26 -4.94 113.70 112.62 2yuv s SER 76 Ca 0.99 -1.33 -0.25 0.00 0.70 0.00 0.00 55.95 56.06 2yuv s SER 76 Cb -0.73 0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 63.71 2yuv s SER 76 CO 0.40 -0.69 0.80 -0.70 1.20 0.00 0.00 173.24 174.25 2yuv s GLU 77 N -4.01 4.35 0.01 5.44 -6.30 -1.26 -3.55 118.70 113.37 2yuv s GLU 77 Ca 0.34 1.00 0.05 0.00 -2.50 0.00 0.00 54.97 53.86 2yuv s GLU 77 Cb 0.07 -3.53 -0.03 0.00 0.00 0.00 0.00 34.13 30.64 2yuv s GLU 77 CO 0.11 -0.20 -0.12 0.71 0.02 0.00 0.00 175.26 175.78 2yuv s TYR 78 N 1.71 2.74 -0.17 5.30 1.51 -1.06 -1.91 117.35 125.47 2yuv s TYR 78 Ca 0.39 -0.13 -0.08 0.00 -1.01 0.00 0.00 57.07 56.23 2yuv s TYR 78 Cb -0.17 -1.56 0.07 0.00 -0.11 0.00 0.00 41.96 40.18 2yuv s TYR 78 CO 0.15 0.30 0.40 1.52 -1.11 0.00 0.00 175.55 176.81 2yuv s TYR 79 N -0.93 -0.63 -0.03 2.71 1.13 -1.06 -0.33 117.35 118.22 2yuv s TYR 79 Ca 0.15 1.31 -0.00 0.00 -1.41 0.00 0.00 57.07 57.12 2yuv s TYR 79 Cb -0.11 0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 40.97 2yuv s TYR 79 CO 0.06 -0.37 0.03 0.54 -2.51 0.00 0.00 175.55 173.29 2yuv s VAL 80 N 1.73 4.42 -0.07 -3.49 0.11 -0.99 -2.58 120.40 119.53 2yuv s VAL 80 Ca -0.07 -0.42 0.04 0.00 -2.93 0.00 0.00 61.98 58.60 2yuv s VAL 80 Cb -0.09 -2.96 -0.02 0.00 -1.53 0.00 0.00 36.38 31.78 2yuv s VAL 80 CO -0.12 0.44 -0.18 0.42 -3.33 0.00 0.00 175.10 172.32 2yuv s THR 81 N -1.07 2.66 -0.23 5.04 -4.23 -1.01 -2.34 115.64 114.46 2yuv s THR 81 Ca 0.19 -0.85 -0.03 0.00 -1.18 0.00 0.00 61.69 59.82 2yuv s THR 81 Cb -0.12 -2.03 0.10 0.00 1.34 0.00 0.00 72.50 71.79 2yuv s THR 81 CO 0.09 0.57 0.23 0.00 -0.54 0.00 0.00 174.62 174.97 2yuv s ALA 82 N -0.25 -0.23 0.00 3.99 0.00 -0.01 -2.79 121.76 122.46 2yuv s ALA 82 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2yuv s ALA 82 Cb -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.55 2yuv s ALA 82 CO 0.03 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.83 2yuv n GLY 83 N 5.31 2.00 0.48 0.00 0.00 -1.26 -2.51 105.19 109.21 2yuv n GLY 83 Ca -0.05 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.94 2yuv n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2yuv n ASP 84 N 10.14 3.06 -4.10 1.61 5.75 -1.26 -5.01 116.55 126.73 2yuv n ASP 84 Ca 0.00 -2.90 -0.09 0.00 -0.01 0.00 0.00 54.79 51.79 2yuv n ASP 84 Cb 0.00 -0.44 -0.10 0.00 -1.03 0.00 0.00 41.12 39.55 2yuv n ASP 84 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2yuv s GLU 85 N -2.58 0.65 0.03 0.11 2.02 -1.05 -5.06 118.70 112.82 2yuv s GLU 85 Ca 0.34 -1.13 -0.27 0.00 0.02 0.00 0.00 54.97 53.93 2yuv s GLU 85 Cb 0.28 -0.03 0.09 0.00 0.10 0.00 0.00 34.13 34.56 2yuv s GLU 85 CO 0.06 -0.04 0.76 -1.59 0.02 0.00 0.00 175.26 174.47 2yuv s LYS 86 N -3.26 1.01 0.35 1.61 -2.85 -1.26 -0.83 119.74 114.50 2yuv s LYS 86 Ca 0.04 -0.23 0.05 0.00 -1.00 0.00 0.00 55.97 54.83 2yuv s LYS 86 Cb 0.02 0.47 -0.03 0.00 -2.06 0.00 0.00 37.83 36.23 2yuv s LYS 86 CO -0.05 -0.41 0.20 0.00 0.10 0.00 0.00 175.35 175.19 2yuv s SER 88 N -3.45 0.16 0.22 0.00 0.01 -1.26 -2.35 113.70 107.04 2yuv s SER 88 Ca 0.34 -1.00 -0.12 0.00 1.31 0.00 0.00 55.95 56.48 2yuv s SER 88 Cb 0.03 0.37 -0.00 0.00 0.21 0.00 0.00 66.02 66.62 2yuv s SER 88 CO 0.21 -0.81 0.43 0.28 0.41 0.00 0.00 173.24 173.76 2yuv s THR 89 N -3.99 0.02 -0.09 1.44 -1.32 0.55 -4.86 115.64 107.39 2yuv s THR 89 Ca 0.19 -1.36 0.04 0.00 -1.21 0.00 0.00 61.69 59.35 2yuv s THR 89 Cb 0.05 -2.07 0.00 0.00 -1.51 0.00 0.00 72.50 68.97 2yuv s THR 89 CO -0.00 -0.07 -0.22 -1.61 -2.21 0.00 0.00 174.62 170.51 2yuv s GLU 90 N -4.00 2.70 -0.19 7.08 2.02 -1.25 -2.56 118.70 122.50 2yuv s GLU 90 Ca 0.21 -0.78 -0.10 0.00 0.02 0.00 0.00 54.97 54.32 2yuv s GLU 90 Cb 0.01 -2.09 -0.05 0.00 0.10 0.00 0.00 34.13 32.10 2yuv s GLU 90 CO 0.06 0.17 0.13 -1.17 0.02 0.00 0.00 175.26 174.47 2yuv s LEU 91 N 0.34 4.22 -0.44 1.80 1.98 -1.23 -0.55 118.68 124.80 2yuv s LEU 91 Ca -0.16 0.25 0.03 0.00 -2.89 0.00 0.00 54.13 51.36 2yuv s LEU 91 Cb -0.17 -2.09 0.12 0.00 0.66 0.00 0.00 46.19 44.71 2yuv s LEU 91 CO 0.07 0.20 0.19 -0.36 -1.89 0.00 0.00 176.35 174.56 2yuv s PHE 92 N 0.25 2.96 -0.35 5.38 0.08 -0.74 -4.38 117.98 121.19 2yuv s PHE 92 Ca 0.08 -2.86 -0.19 0.00 0.12 0.00 0.00 56.93 54.08 2yuv s PHE 92 Cb -0.11 -2.57 -0.00 0.00 -0.57 0.00 0.00 43.02 39.77 2yuv s PHE 92 CO -0.02 -0.81 0.56 0.54 -0.10 0.00 0.00 175.22 175.39 2yuv s VAL 93 N 0.30 4.98 0.84 -0.44 0.11 -1.26 -2.41 120.40 122.51 2yuv s VAL 93 Ca 0.15 0.46 -0.11 0.00 -2.93 0.00 0.00 61.98 59.55 2yuv s VAL 93 Cb -0.23 -3.99 0.13 0.00 -1.53 0.00 0.00 36.38 30.75 2yuv s VAL 93 CO -0.04 -0.23 1.18 -0.13 -3.33 0.00 0.00 175.10 172.55 2yuv s ARG 94 N 2.50 1.44 -0.36 1.54 0.52 -0.19 -4.58 118.95 119.82 2yuv s ARG 94 Ca 0.21 -0.33 -0.15 0.00 -0.52 0.00 0.00 55.73 54.93 2yuv s ARG 94 Cb -0.15 -2.00 -0.00 0.00 0.52 0.00 0.00 34.95 33.31 2yuv s ARG 94 CO 0.13 -1.83 0.36 0.45 0.02 0.00 0.00 175.30 174.43 2yuv s SER 95 N -4.71 6.16 0.14 0.23 0.15 -1.26 -0.76 113.70 113.64 2yuv s SER 95 Ca 0.67 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.96 2yuv s SER 95 Cb -0.07 -2.19 -0.01 0.00 -1.71 0.00 0.00 66.02 62.04 2yuv s SER 95 CO 0.49 -0.38 0.08 0.61 1.20 0.00 0.00 173.24 175.24 2yuv n GLY 96 N 5.02 3.69 3.69 9.45 0.00 -1.26 -4.85 105.19 120.93 2yuv n GLY 96 Ca -0.09 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 2yuv n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuv s PRO 97 N -2.53 0.68 -0.02 1.61 0.04 -1.26 -4.73 135.00 128.79 2yuv s PRO 97 Ca 0.11 0.62 0.01 0.00 0.04 0.00 0.00 61.00 61.78 2yuv s PRO 97 Cb 0.01 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.80 2yuv s PRO 97 CO 0.08 -2.58 -0.02 -1.54 0.04 0.00 0.00 177.00 172.98 2yuv s SER 98 N -3.44 0.42 0.22 6.66 1.04 -1.26 -4.81 113.70 112.54 2yuv s SER 98 Ca 0.65 -0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.99 2yuv s SER 98 Cb -0.18 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.76 2yuv s SER 98 CO 0.57 -0.03 0.25 -0.55 0.98 0.00 0.00 173.24 174.47 2yuv s SER 99 N 0.48 0.16 0.00 7.02 0.15 -1.26 -5.22 113.70 115.03 2yuv s SER 99 Ca -0.05 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.33 2yuv s SER 99 Cb -0.08 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2yuv s SER 99 CO -0.01 -0.95 0.04 0.61 1.20 0.00 0.00 173.24 174.13