#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuv n SER 2 N 0.00 -0.58 -4.44 1.61 3.41 -1.26 -4.67 113.62 107.69 2yuv n SER 2 Ca 0.00 -1.11 -0.59 0.00 -0.26 0.00 0.00 58.87 56.91 2yuv n SER 2 Cb 0.00 -1.40 -0.08 0.00 -0.26 0.00 0.00 64.21 62.47 2yuv n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yuv n SER 3 N -2.25 0.13 0.00 4.04 7.64 -1.26 -4.40 113.62 117.52 2yuv n SER 3 Ca -0.06 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.96 2yuv n SER 3 Cb 0.49 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 2yuv n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuv n GLY 4 N 1.76 0.67 3.16 0.23 0.00 -1.26 -5.04 105.19 104.70 2yuv n GLY 4 Ca 0.21 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 2yuv n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yuv n SER 5 N 0.00 -2.06 -4.84 1.61 2.88 -1.26 -5.02 113.62 104.93 2yuv n SER 5 Ca 0.00 -0.55 -0.21 0.00 -1.33 0.00 0.00 58.87 56.78 2yuv n SER 5 Cb 0.00 -4.61 -0.04 0.00 -0.75 0.00 0.00 64.21 58.81 2yuv n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yuv s SER 6 N -4.20 5.27 0.00 -3.46 0.01 -1.26 -4.83 113.70 105.23 2yuv s SER 6 Ca 0.00 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2yuv s SER 6 Cb -0.00 -1.02 0.00 0.00 0.21 0.00 0.00 66.02 65.21 2yuv s SER 6 CO 0.65 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.61 2yuv n GLY 7 N -1.32 2.72 3.83 3.44 0.00 -1.26 -4.93 105.19 107.66 2yuv n GLY 7 Ca -0.03 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 2yuv n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yuv n ALA 8 N 0.00 -1.17 0.27 4.61 0.00 -1.26 -4.80 120.51 118.16 2yuv n ALA 8 Ca 0.00 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.63 2yuv n ALA 8 Cb 0.00 -3.29 0.82 0.00 0.00 0.00 0.00 19.45 16.98 2yuv n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuv h ALA 9 N 0.95 1.72 -2.54 0.00 0.00 -1.92 -3.37 119.26 114.10 2yuv h ALA 9 Ca -0.52 -0.00 -0.73 0.00 0.00 0.00 0.00 54.91 53.67 2yuv h ALA 9 Cb 1.34 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.89 2yuv h ALA 9 CO 0.66 -0.06 -0.41 -0.06 0.00 0.00 0.00 179.25 179.39 2yuv s PHE 10 N -4.77 3.27 0.32 0.00 0.08 -1.26 -2.34 117.98 113.29 2yuv s PHE 10 Ca -0.05 -1.05 0.07 0.00 0.12 0.00 0.00 56.93 56.02 2yuv s PHE 10 Cb 0.16 -2.92 0.56 0.00 -0.57 0.00 0.00 43.02 40.24 2yuv s PHE 10 CO 0.59 -0.76 1.77 0.00 -0.10 0.00 0.00 175.22 176.71 2yuv h ALA 11 N 8.60 1.23 -2.33 5.36 0.00 -1.19 -3.41 119.26 127.52 2yuv h ALA 11 Ca -0.26 -0.35 -0.32 0.00 0.00 0.00 0.00 54.91 53.98 2yuv h ALA 11 Cb 1.10 -0.09 -0.34 0.00 0.00 0.00 0.00 17.79 18.46 2yuv h ALA 11 CO 0.79 0.52 -0.63 0.21 0.00 0.00 0.00 179.25 180.15 2yuv s LYS 12 N -4.33 0.26 0.71 0.00 2.47 -1.21 -4.92 119.74 112.72 2yuv s LYS 12 Ca -0.05 0.05 -0.11 0.00 -1.56 0.00 0.00 55.97 54.30 2yuv s LYS 12 Cb 0.14 -0.92 0.02 0.00 -1.46 0.00 0.00 37.83 35.61 2yuv s LYS 12 CO 0.76 -0.83 1.07 0.96 0.16 0.00 0.00 175.35 177.48 2yuv s ILE 13 N 2.35 3.74 0.54 5.43 -5.25 -1.26 -2.71 121.20 124.04 2yuv s ILE 13 Ca 0.09 0.56 -0.20 0.00 -0.99 0.00 0.00 60.65 60.11 2yuv s ILE 13 Cb -0.15 -3.42 -0.06 0.00 2.95 0.00 0.00 42.46 41.78 2yuv s ILE 13 CO -0.22 -0.74 1.15 -0.76 -1.79 0.00 0.00 174.94 172.58 2yuv s LEU 14 N -5.49 3.78 0.82 0.37 1.43 -1.26 -4.97 118.68 113.36 2yuv s LEU 14 Ca 0.58 2.23 -0.15 0.00 -1.03 0.00 0.00 54.13 55.76 2yuv s LEU 14 Cb -0.13 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.54 2yuv s LEU 14 CO 0.54 -1.23 0.32 0.47 0.23 0.00 0.00 176.35 176.69 2yuv n ASP 15 N -1.21 -2.10 0.00 2.29 8.00 -1.26 -4.84 116.55 117.44 2yuv n ASP 15 Ca 0.11 0.46 0.07 0.00 0.71 0.00 0.00 54.79 56.14 2yuv n ASP 15 Cb 0.50 -1.15 0.30 0.00 -0.02 0.00 0.00 41.12 40.76 2yuv n ASP 15 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2yuv n PRO 16 N -0.65 0.00 -3.63 -0.24 -0.04 -1.26 -4.51 135.00 124.67 2yuv n PRO 16 Ca 0.08 0.26 -0.05 0.00 -0.04 0.00 0.00 63.50 63.74 2yuv n PRO 16 Cb 0.52 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 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 -3.01 -2.09 0.29 0.55 0.00 -1.26 -3.91 121.76 112.33 2yuv s ALA 17 Ca 0.07 1.76 0.10 0.00 0.00 0.00 0.00 51.96 53.88 2yuv s ALA 17 Cb 0.09 -1.44 -0.06 0.00 0.00 0.00 0.00 23.12 21.72 2yuv s ALA 17 CO 0.26 -0.20 -0.13 0.71 0.00 0.00 0.00 175.76 176.39 2yuv s TYR 18 N -0.44 2.16 -0.12 0.00 1.51 0.10 -4.93 117.35 115.64 2yuv s TYR 18 Ca 0.05 -0.49 -0.05 0.00 -1.01 0.00 0.00 57.07 55.57 2yuv s TYR 18 Cb -0.03 -1.10 0.06 0.00 -0.11 0.00 0.00 41.96 40.78 2yuv s TYR 18 CO -0.08 0.54 0.27 -0.65 -1.11 0.00 0.00 175.55 174.52 2yuv s GLN 19 N -3.60 0.21 0.19 -0.62 1.11 -1.26 -1.28 119.66 114.40 2yuv s GLN 19 Ca 0.29 0.65 -0.03 0.00 0.01 0.00 0.00 55.36 56.28 2yuv s GLN 19 Cb -0.00 -0.07 -0.03 0.00 -1.01 0.00 0.00 33.01 31.89 2yuv s GLN 19 CO 0.13 -0.21 0.16 0.54 0.01 0.00 0.00 175.29 175.93 2yuv s VAL 20 N 1.72 0.02 0.11 1.09 0.11 -1.06 -5.00 120.40 117.39 2yuv s VAL 20 Ca -0.05 -1.88 -0.19 0.00 -2.93 0.00 0.00 61.98 56.92 2yuv s VAL 20 Cb -0.11 -2.34 -0.07 0.00 -1.53 0.00 0.00 36.38 32.33 2yuv s VAL 20 CO -0.09 -0.11 0.61 1.51 -3.33 0.00 0.00 175.10 173.69 2yuv s ASP 21 N -3.11 7.08 0.75 3.54 1.47 -1.26 -2.07 116.67 123.07 2yuv s ASP 21 Ca 0.33 1.30 -0.17 0.00 1.18 0.00 0.00 52.55 55.19 2yuv s ASP 21 Cb 0.06 -2.37 -0.14 0.00 -0.34 0.00 0.00 42.92 40.12 2yuv s ASP 21 CO 0.09 0.23 -0.43 1.17 0.68 0.00 0.00 175.17 176.91 2yuv n LYS 22 N 1.51 0.01 -3.90 2.11 4.81 -0.75 -0.97 118.16 120.98 2yuv n LYS 22 Ca -0.08 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.05 2yuv n LYS 22 Cb 0.51 -1.04 -0.06 0.00 0.02 0.00 0.00 35.03 34.46 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 2.95 -0.39 0.00 3.14 0.00 0.41 -4.70 105.19 106.59 2yuv n GLY 23 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.90 3.81 2.95 -0.02 0.00 -0.14 -4.55 105.19 106.33 2yuv n GLY 24 Ca 0.09 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.22 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 3.97 0.11 0.44 1.61 3.52 -1.26 -1.71 118.95 125.63 2yuv s ARG 25 Ca 0.00 0.46 0.06 0.00 -0.13 0.00 0.00 55.73 56.12 2yuv s ARG 25 Cb 0.00 -0.17 0.01 0.00 -1.56 0.00 0.00 34.95 33.23 2yuv s ARG 25 CO 0.00 -0.19 0.60 0.14 -0.81 0.00 0.00 175.30 175.04 2yuv s VAL 26 N 1.42 3.16 -0.10 7.11 -7.23 -1.08 -4.91 120.40 118.78 2yuv s VAL 26 Ca -0.07 -0.90 0.02 0.00 -1.81 0.00 0.00 61.98 59.23 2yuv s VAL 26 Cb -0.11 -3.09 0.01 0.00 0.56 0.00 0.00 36.38 33.74 2yuv s VAL 26 CO -0.07 -0.04 -0.17 -0.60 -0.31 0.00 0.00 175.10 173.91 2yuv s ARG 27 N -4.42 2.30 -0.21 4.82 3.52 -1.26 -3.49 118.95 120.21 2yuv s ARG 27 Ca 0.54 -0.60 -0.04 0.00 -0.13 0.00 0.00 55.73 55.49 2yuv s ARG 27 Cb -0.10 -1.88 0.07 0.00 -1.56 0.00 0.00 34.95 31.48 2yuv s ARG 27 CO 0.34 0.01 0.08 -0.06 -0.81 0.00 0.00 175.30 174.87 2yuv s PHE 28 N 0.76 0.59 0.08 5.12 0.08 0.67 -5.00 117.98 120.27 2yuv s PHE 28 Ca -0.11 -0.69 0.03 0.00 0.12 0.00 0.00 56.93 56.27 2yuv s PHE 28 Cb -0.16 -0.91 -0.03 0.00 -0.57 0.00 0.00 43.02 41.35 2yuv s PHE 28 CO 0.02 -0.63 -0.08 0.54 -0.10 0.00 0.00 175.22 174.97 2yuv s VAL 29 N 2.01 0.72 0.24 -0.44 0.11 -1.26 0.23 120.40 122.01 2yuv s VAL 29 Ca 0.03 -1.54 -0.07 0.00 -2.93 0.00 0.00 61.98 57.47 2yuv s VAL 29 Cb -0.16 -1.20 -0.02 0.00 -1.53 0.00 0.00 36.38 33.47 2yuv s VAL 29 CO -0.15 -0.60 0.34 0.68 -3.33 0.00 0.00 175.10 172.04 2yuv s VAL 30 N -2.44 0.00 -0.02 2.04 -7.23 -0.85 -4.57 120.40 107.32 2yuv s VAL 30 Ca 0.02 -1.67 0.08 0.00 -1.81 0.00 0.00 61.98 58.59 2yuv s VAL 30 Cb -0.03 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 2yuv s VAL 30 CO -0.01 0.00 -0.25 -1.61 -0.31 0.00 0.00 175.10 172.92 2yuv s GLU 31 N -3.98 2.16 -0.19 4.82 2.02 -1.10 -2.38 118.70 120.05 2yuv s GLU 31 Ca 0.30 -0.91 -0.04 0.00 0.02 0.00 0.00 54.97 54.35 2yuv s GLU 31 Cb 0.02 -2.08 -0.02 0.00 0.10 0.00 0.00 34.13 32.16 2yuv s GLU 31 CO 0.12 0.56 -0.04 -0.51 0.02 0.00 0.00 175.26 175.40 2yuv s LEU 32 N -0.61 3.02 0.59 1.80 1.43 -0.89 -0.90 118.68 123.11 2yuv s LEU 32 Ca 0.10 -0.29 0.29 0.00 -1.03 0.00 0.00 54.13 53.19 2yuv s LEU 32 Cb -0.10 -1.75 1.48 0.00 0.03 0.00 0.00 46.19 45.85 2yuv s LEU 32 CO -0.01 0.06 1.90 0.00 0.23 0.00 0.00 176.35 178.53 2yuv h ALA 33 N 7.51 2.15 -2.83 4.21 0.00 -1.72 -3.41 119.26 125.17 2yuv h ALA 33 Ca -0.36 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 2yuv h ALA 33 Cb 1.18 0.03 -0.24 0.00 0.00 0.00 0.00 17.79 18.76 2yuv h ALA 33 CO 0.60 -0.69 -0.28 0.34 0.00 0.00 0.00 179.25 179.21 2yuv s ASP 34 N -5.22 -0.37 0.43 0.00 2.15 -1.26 -5.03 116.67 107.37 2yuv s ASP 34 Ca -0.04 0.71 0.30 0.00 0.43 0.00 0.00 52.55 53.94 2yuv s ASP 34 Cb 0.15 0.73 1.24 0.00 -0.30 0.00 0.00 42.92 44.74 2yuv s ASP 34 CO 0.54 -0.14 1.88 1.55 -0.17 0.00 0.00 175.17 178.83 2yuv h PRO 35 N 5.48 0.00 -0.30 4.34 0.13 -1.97 -2.93 132.00 136.74 2yuv h PRO 35 Ca -0.27 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.79 2yuv h PRO 35 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2yuv h PRO 35 CO 0.28 0.00 -0.12 0.87 -0.23 0.00 0.00 178.00 178.80 2yuv h LYS 36 N 0.00 0.51 -7.28 0.86 1.57 -1.96 -3.44 116.57 106.83 2yuv h LYS 36 Ca 0.00 -0.15 -0.52 0.00 -1.87 0.00 0.00 60.65 58.11 2yuv h LYS 36 Cb 0.43 -0.05 0.16 0.00 0.08 0.00 0.00 32.23 32.85 2yuv h LYS 36 CO 0.00 0.63 0.28 -0.51 -0.57 0.00 0.00 179.45 179.28 2yuv s LEU 37 N -8.87 2.97 0.19 2.94 1.43 -1.11 -5.05 118.68 111.19 2yuv s LEU 37 Ca -0.07 2.03 0.08 0.00 -1.03 0.00 0.00 54.13 55.14 2yuv s LEU 37 Cb 0.15 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 2yuv s LEU 37 CO 0.78 -2.55 -0.01 -0.70 0.23 0.00 0.00 176.35 174.09 2yuv s GLU 38 N -4.71 2.34 0.06 1.70 2.12 -1.26 -5.00 118.70 113.95 2yuv s GLU 38 Ca 0.65 -1.19 0.09 0.00 0.36 0.00 0.00 54.97 54.87 2yuv s GLU 38 Cb -0.21 -2.29 -0.03 0.00 0.26 0.00 0.00 34.13 31.86 2yuv s GLU 38 CO 0.56 0.43 -0.23 0.14 -0.54 0.00 0.00 175.26 175.62 2yuv s VAL 39 N -1.85 2.40 -0.11 3.70 -7.23 -1.26 -4.04 120.40 112.02 2yuv s VAL 39 Ca 0.28 -1.39 -0.05 0.00 -1.81 0.00 0.00 61.98 59.01 2yuv s VAL 39 Cb -0.09 -1.99 0.05 0.00 0.56 0.00 0.00 36.38 34.92 2yuv s VAL 39 CO 0.18 0.30 0.23 -0.54 -0.31 0.00 0.00 175.10 174.97 2yuv s LYS 40 N -1.48 0.14 -0.08 4.82 1.02 -1.09 -4.97 119.74 118.10 2yuv s LYS 40 Ca 0.13 0.64 -0.11 0.00 0.02 0.00 0.00 55.97 56.65 2yuv s LYS 40 Cb -0.10 -0.11 -0.05 0.00 -0.52 0.00 0.00 37.83 37.05 2yuv s LYS 40 CO 0.04 -0.25 0.25 -1.58 -0.92 0.00 0.00 175.35 172.90 2yuv s TRP 41 N 2.00 3.62 0.04 3.18 0.52 -1.26 -2.25 118.94 124.78 2yuv s TRP 41 Ca -0.02 0.70 0.01 0.00 0.02 0.00 0.00 56.10 56.81 2yuv s TRP 41 Cb -0.12 -2.12 -0.02 0.00 -1.15 0.00 0.00 33.47 30.06 2yuv s TRP 41 CO -0.08 0.63 -0.06 0.71 0.02 0.00 0.00 176.95 178.17 2yuv s TYR 42 N -0.83 0.53 -0.25 -1.98 2.02 -1.11 -0.96 117.35 114.77 2yuv s TYR 42 Ca 0.18 -0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 56.33 2yuv s TYR 42 Cb -0.14 -0.33 0.08 0.00 -0.40 0.00 0.00 41.96 41.17 2yuv s TYR 42 CO 0.07 -0.13 0.05 0.21 -1.57 0.00 0.00 175.55 174.18 2yuv s LYS 43 N -1.66 0.82 -1.47 -0.62 2.20 0.73 -2.70 119.74 117.04 2yuv s LYS 43 Ca -0.11 -0.78 -0.07 0.00 -0.36 0.00 0.00 55.97 54.65 2yuv s LYS 43 Cb -0.09 -2.12 0.01 0.00 -1.51 0.00 0.00 37.83 34.12 2yuv s LYS 43 CO -0.00 -0.78 0.88 0.09 -0.36 0.00 0.00 175.35 175.17 2yuv n ASN 44 N 4.91 -6.23 -0.00 1.43 4.13 -1.03 -2.11 115.26 116.37 2yuv n ASN 44 Ca -0.06 -0.41 0.00 0.00 1.68 0.00 0.00 54.58 55.78 2yuv n ASN 44 Cb 0.44 -4.97 0.00 0.00 -1.54 0.00 0.00 39.78 33.71 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 -1.75 0.41 2.97 7.41 0.00 -1.26 -5.06 105.19 107.91 2yuv n GLY 45 Ca -0.05 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 2yuv n GLY 45 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yuv s GLN 46 N -3.93 1.36 0.19 1.61 2.00 -0.90 -5.12 119.66 114.87 2yuv s GLN 46 Ca 0.00 -0.29 -0.31 0.00 -2.00 0.00 0.00 55.36 52.76 2yuv s GLN 46 Cb 0.00 -1.18 -0.10 0.00 0.80 0.00 0.00 33.01 32.53 2yuv s GLN 46 CO 0.00 -0.01 1.51 -2.00 -0.50 0.00 0.00 175.29 174.29 2yuv s GLU 47 N 0.76 4.24 -0.13 1.67 2.12 -1.26 -0.19 118.70 125.91 2yuv s GLU 47 Ca -0.13 2.32 -0.10 0.00 0.36 0.00 0.00 54.97 57.41 2yuv s GLU 47 Cb -0.15 -3.15 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 2yuv s GLU 47 CO 0.02 -0.53 0.21 0.42 -0.54 0.00 0.00 175.26 174.84 2yuv s ILE 48 N 0.77 5.37 0.14 -3.70 1.01 -0.13 -4.88 121.20 119.78 2yuv s ILE 48 Ca 0.66 0.38 0.10 0.00 0.00 0.00 0.00 60.65 61.79 2yuv s ILE 48 Cb -0.43 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 2yuv s ILE 48 CO 0.35 0.53 -0.20 -0.13 0.00 0.00 0.00 174.94 175.48 2yuv s ARG 49 N -0.44 1.67 -0.17 2.79 0.52 -1.26 -4.69 118.95 117.37 2yuv s ARG 49 Ca 0.15 -1.30 -0.29 0.00 -0.52 0.00 0.00 55.73 53.77 2yuv s ARG 49 Cb -0.13 -2.01 -0.03 0.00 0.52 0.00 0.00 34.95 33.30 2yuv s ARG 49 CO 0.04 0.45 1.57 -1.25 0.02 0.00 0.00 175.30 176.14 2yuv s PRO 50 N -2.31 3.96 0.25 3.54 0.04 -1.26 -4.59 135.00 134.62 2yuv s PRO 50 Ca 0.18 1.79 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 2yuv s PRO 50 Cb -0.10 -3.98 0.01 0.00 0.04 0.00 0.00 34.50 30.47 2yuv s PRO 50 CO 0.10 -1.10 0.55 0.45 0.04 0.00 0.00 177.00 177.04 2yuv s SER 51 N 3.68 -0.16 0.35 6.66 0.15 -0.14 -4.93 113.70 119.31 2yuv s SER 51 Ca 0.69 -0.77 0.26 0.00 0.70 0.00 0.00 55.95 56.84 2yuv s SER 51 Cb -0.27 0.62 1.18 0.00 -1.71 0.00 0.00 66.02 65.85 2yuv s SER 51 CO 0.27 -1.18 1.23 0.35 1.20 0.00 0.00 173.24 175.11 2yuv n THR 52 N -0.39 -0.19 0.02 6.45 -2.24 -1.26 0.21 114.28 116.89 2yuv n THR 52 Ca -0.04 1.40 -0.19 0.00 -2.27 0.00 0.00 64.05 62.96 2yuv n THR 52 Cb 0.61 -2.30 -0.13 0.00 -2.10 0.00 0.00 70.33 66.41 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 0.32 -4.93 -0.78 3.64 -1.92 -3.44 116.57 109.46 2yuv h LYS 53 Ca 0.69 -0.45 -0.64 0.00 -1.27 0.00 0.00 60.65 58.98 2yuv h LYS 53 Cb 2.28 0.15 -0.19 0.00 -0.41 0.00 0.00 32.23 34.06 2yuv h LYS 53 CO -0.34 1.17 -0.56 0.71 -2.27 0.00 0.00 179.45 178.16 2yuv s TYR 54 N -2.73 3.18 -0.33 1.91 2.02 0.58 -1.74 117.35 120.23 2yuv s TYR 54 Ca -0.14 -0.07 -0.08 0.00 -0.37 0.00 0.00 57.07 56.41 2yuv s TYR 54 Cb 0.02 -2.32 0.03 0.00 -0.40 0.00 0.00 41.96 39.28 2yuv s TYR 54 CO 0.82 -0.22 0.12 0.42 -1.57 0.00 0.00 175.55 175.12 2yuv s ILE 55 N 1.65 4.05 -0.32 2.71 -1.09 -0.38 -0.97 121.20 126.86 2yuv s ILE 55 Ca 0.07 -0.92 -0.17 0.00 -2.23 0.00 0.00 60.65 57.40 2yuv s ILE 55 Cb -0.16 -3.22 -0.02 0.00 -1.58 0.00 0.00 42.46 37.49 2yuv s ILE 55 CO 0.08 -0.11 0.44 -0.36 -1.23 0.00 0.00 174.94 173.76 2yuv s PHE 56 N 1.47 3.21 -0.18 3.97 0.40 -1.26 -2.31 117.98 123.29 2yuv s PHE 56 Ca 0.01 0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.55 2yuv s PHE 56 Cb -0.19 -2.76 0.05 0.00 0.51 0.00 0.00 43.02 40.64 2yuv s PHE 56 CO 0.04 -0.41 -0.03 -1.21 0.70 0.00 0.00 175.22 174.31 2yuv s GLU 57 N 2.21 1.22 -0.23 0.44 2.02 -0.94 -4.99 118.70 118.43 2yuv s GLU 57 Ca 0.16 -0.54 -0.09 0.00 0.02 0.00 0.00 54.97 54.52 2yuv s GLU 57 Cb -0.16 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.95 2yuv s GLU 57 CO 0.12 -0.51 0.11 -3.38 0.02 0.00 0.00 175.26 171.62 2yuv s HIS 58 N 1.67 3.22 -0.42 1.61 -3.43 -1.26 -0.16 115.29 116.52 2yuv s HIS 58 Ca -0.01 -0.01 0.02 0.00 -0.80 0.00 0.00 55.06 54.26 2yuv s HIS 58 Cb -0.16 -2.23 0.15 0.00 -1.43 0.00 0.00 32.58 28.91 2yuv s HIS 58 CO -0.07 -0.06 0.26 0.15 -2.00 0.00 0.00 174.74 173.02 2yuv s LYS 59 N 1.13 1.03 -0.11 -0.38 1.02 0.73 -4.97 119.74 118.20 2yuv s LYS 59 Ca 0.06 -1.87 -0.08 0.00 0.02 0.00 0.00 55.97 54.11 2yuv s LYS 59 Cb -0.14 -1.88 0.03 0.00 -0.52 0.00 0.00 37.83 35.32 2yuv s LYS 59 CO 0.04 -1.23 0.15 0.41 -0.92 0.00 0.00 175.35 173.81 2yuv n GLY 60 N 3.50 -4.44 3.02 -3.33 0.00 -1.26 -3.42 105.19 99.27 2yuv n GLY 60 Ca 0.14 1.12 -0.19 0.00 0.00 0.00 0.00 46.02 47.09 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 -4.78 0.13 -0.37 0.00 0.74 -1.22 -2.10 119.66 112.06 2yuv s GLN 62 Ca 0.37 -0.16 -0.13 0.00 0.05 0.00 0.00 55.36 55.48 2yuv s GLN 62 Cb -0.22 -1.47 0.00 0.00 1.10 0.00 0.00 33.01 32.43 2yuv s GLN 62 CO 0.46 -0.79 0.26 1.03 -0.55 0.00 0.00 175.29 175.70 2yuv s ARG 63 N 2.17 3.21 0.15 1.67 1.81 -1.00 -0.19 118.95 126.76 2yuv s ARG 63 Ca 0.05 -0.85 0.02 0.00 -1.72 0.00 0.00 55.73 53.23 2yuv s ARG 63 Cb -0.16 -3.86 -0.04 0.00 -0.45 0.00 0.00 34.95 30.44 2yuv s ARG 63 CO -0.19 -0.60 0.29 0.42 -0.68 0.00 0.00 175.30 174.55 2yuv s ILE 64 N 1.69 5.32 -0.10 1.52 1.01 0.77 -2.01 121.20 129.40 2yuv s ILE 64 Ca 0.05 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 2yuv s ILE 64 Cb -0.18 -3.73 0.05 0.00 0.01 0.00 0.00 42.46 38.61 2yuv s ILE 64 CO 0.10 -0.07 0.22 -0.22 0.00 0.00 0.00 174.94 174.96 2yuv s LEU 65 N -3.15 0.41 -0.05 2.97 1.98 0.62 -2.22 118.68 119.23 2yuv s LEU 65 Ca 0.35 0.47 0.05 0.00 -2.89 0.00 0.00 54.13 52.11 2yuv s LEU 65 Cb -0.11 0.62 -0.01 0.00 0.66 0.00 0.00 46.19 47.35 2yuv s LEU 65 CO 0.28 -0.17 -0.22 -0.36 -1.89 0.00 0.00 176.35 174.00 2yuv s PHE 66 N 1.37 2.14 -0.20 5.38 0.08 -0.98 -0.24 117.98 125.54 2yuv s PHE 66 Ca -0.08 -0.65 -0.01 0.00 0.12 0.00 0.00 56.93 56.32 2yuv s PHE 66 Cb -0.11 -1.42 0.01 0.00 -0.57 0.00 0.00 43.02 40.93 2yuv s PHE 66 CO -0.08 -0.21 -0.14 0.42 -0.10 0.00 0.00 175.22 175.11 2yuv s ILE 67 N -0.04 2.51 0.41 0.64 1.01 -1.23 -1.25 121.20 123.26 2yuv s ILE 67 Ca -0.05 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 2yuv s ILE 67 Cb -0.13 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 2yuv s ILE 67 CO 0.03 0.46 0.65 0.20 0.00 0.00 0.00 174.94 176.29 2yuv s ASN 68 N 1.34 6.23 -0.88 3.58 0.01 -0.71 -2.63 114.94 121.88 2yuv s ASN 68 Ca 0.04 0.62 -0.01 0.00 -0.71 0.00 0.00 52.86 52.81 2yuv s ASN 68 Cb -0.14 -2.07 0.00 0.00 0.41 0.00 0.00 41.25 39.45 2yuv s ASN 68 CO -0.09 -0.45 0.74 0.59 -1.51 0.00 0.00 177.10 176.38 2yuv n ASN 69 N -2.00 -2.28 -4.55 -1.22 4.13 -0.70 -4.88 115.26 103.76 2yuv n ASN 69 Ca -0.02 -0.45 -0.37 0.00 1.68 0.00 0.00 54.58 55.43 2yuv n ASN 69 Cb 0.56 -3.87 -0.03 0.00 -1.54 0.00 0.00 39.78 34.90 2yuv n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yuv s GLN 71 N 7.62 2.23 0.31 0.00 2.00 -1.26 0.15 119.66 130.72 2yuv s GLN 71 Ca 0.81 -1.44 0.06 0.00 -2.00 0.00 0.00 55.36 52.79 2yuv s GLN 71 Cb -0.14 -2.13 0.87 0.00 0.80 0.00 0.00 33.01 32.40 2yuv s GLN 71 CO 0.22 0.37 1.60 0.52 -0.50 0.00 0.00 175.29 177.50 2yuv h MET 72 N 1.98 0.09 -0.78 1.67 2.86 -1.90 0.98 114.93 119.82 2yuv h MET 72 Ca -0.44 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2yuv h MET 72 Cb 1.25 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.85 2yuv h MET 72 CO 0.60 0.06 0.47 0.00 1.06 0.00 0.00 176.91 179.10 2yuv h THR 73 N 0.09 1.22 -0.61 2.22 1.03 -1.96 -2.56 112.91 112.34 2yuv h THR 73 Ca 0.64 -0.47 0.10 0.00 -0.01 0.00 0.00 66.41 66.66 2yuv h THR 73 Cb 1.40 0.12 -0.07 0.00 -1.07 0.00 0.00 68.15 68.52 2yuv h THR 73 CO -0.78 0.23 0.22 -0.78 -0.01 0.00 0.00 175.52 174.40 2yuv h ASP 74 N 1.07 0.22 -0.08 0.00 3.58 0.65 -3.39 116.42 118.47 2yuv h ASP 74 Ca 0.28 0.08 -0.34 0.00 0.42 0.00 0.00 57.03 57.47 2yuv h ASP 74 Cb -0.05 0.06 -0.10 0.00 1.72 0.00 0.00 39.33 40.97 2yuv h ASP 74 CO -0.05 0.13 1.75 -0.67 -2.88 0.00 0.00 179.24 177.51 2yuv n ASP 75 N -5.00 -0.74 -4.28 2.28 2.03 -0.97 -4.82 116.55 105.06 2yuv n ASP 75 Ca 0.09 -0.56 -0.15 0.00 0.52 0.00 0.00 54.79 54.69 2yuv n ASP 75 Cb 0.28 -0.75 -0.10 0.00 -0.72 0.00 0.00 41.12 39.83 2yuv n ASP 75 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2yuv s SER 76 N 2.89 1.01 -0.51 1.67 0.01 -1.26 -4.93 113.70 112.59 2yuv s SER 76 Ca 1.27 -1.34 -0.26 0.00 1.31 0.00 0.00 55.95 56.93 2yuv s SER 76 Cb -0.81 0.19 0.03 0.00 0.21 0.00 0.00 66.02 65.65 2yuv s SER 76 CO 0.49 -0.72 1.03 -0.70 0.41 0.00 0.00 173.24 173.76 2yuv s GLU 77 N -4.03 3.52 -0.03 12.44 2.12 -1.26 -3.70 118.70 127.76 2yuv s GLU 77 Ca 0.35 0.16 -0.09 0.00 0.36 0.00 0.00 54.97 55.75 2yuv s GLU 77 Cb 0.07 -3.97 -0.05 0.00 0.26 0.00 0.00 34.13 30.44 2yuv s GLU 77 CO 0.11 -1.42 0.28 0.71 -0.54 0.00 0.00 175.26 174.40 2yuv s TYR 78 N 4.22 3.63 -0.13 5.30 2.02 -1.09 -2.45 117.35 128.85 2yuv s TYR 78 Ca 0.39 0.70 -0.06 0.00 -0.37 0.00 0.00 57.07 57.73 2yuv s TYR 78 Cb -0.09 -2.07 0.05 0.00 -0.40 0.00 0.00 41.96 39.44 2yuv s TYR 78 CO 0.26 0.66 0.29 1.52 -1.57 0.00 0.00 175.55 176.71 2yuv s TYR 79 N -1.15 -0.42 -0.01 2.71 1.13 -1.10 0.17 117.35 118.68 2yuv s TYR 79 Ca 0.23 0.95 0.01 0.00 -1.41 0.00 0.00 57.07 56.85 2yuv s TYR 79 Cb -0.14 0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.78 2yuv s TYR 79 CO 0.11 -0.28 0.02 0.54 -2.51 0.00 0.00 175.55 173.43 2yuv s VAL 80 N 1.48 4.33 -0.03 -3.49 0.11 -0.80 -2.76 120.40 119.24 2yuv s VAL 80 Ca -0.08 -0.52 0.06 0.00 -2.93 0.00 0.00 61.98 58.51 2yuv s VAL 80 Cb -0.10 -2.94 -0.02 0.00 -1.53 0.00 0.00 36.38 31.79 2yuv s VAL 80 CO -0.10 0.39 -0.21 0.42 -3.33 0.00 0.00 175.10 172.27 2yuv s THR 81 N -1.10 2.51 -0.24 5.04 -4.23 -0.96 -2.09 115.64 114.56 2yuv s THR 81 Ca 0.20 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 59.71 2yuv s THR 81 Cb -0.12 -1.93 0.13 0.00 1.34 0.00 0.00 72.50 71.92 2yuv s THR 81 CO 0.11 0.56 0.39 0.00 -0.54 0.00 0.00 174.62 175.14 2yuv s ALA 82 N -0.69 -1.14 0.00 3.99 0.00 -0.29 -2.66 121.76 120.97 2yuv s ALA 82 Ca 0.11 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2yuv s ALA 82 Cb -0.10 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2yuv s ALA 82 CO 0.00 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 174.94 2yuv n GLY 83 N 5.37 1.53 0.00 0.00 0.00 -1.26 -2.37 105.19 108.47 2yuv n GLY 83 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 10.02 1.92 -4.35 1.61 9.92 -1.26 -5.04 116.55 129.38 2yuv n ASP 84 Ca 0.00 -2.01 -0.20 0.00 -0.53 0.00 0.00 54.79 52.05 2yuv n ASP 84 Cb 0.00 -0.02 -0.10 0.00 -0.64 0.00 0.00 41.12 40.35 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 -1.05 1.32 -0.02 -1.24 0.41 -1.00 -5.03 118.70 112.10 2yuv s GLU 85 Ca 0.02 -1.54 -0.30 0.00 -0.41 0.00 0.00 54.97 52.74 2yuv s GLU 85 Cb 0.01 -1.20 0.07 0.00 -1.78 0.00 0.00 34.13 31.23 2yuv s GLU 85 CO 0.00 0.21 0.67 -1.59 -0.49 0.00 0.00 175.26 174.06 2yuv s LYS 86 N -3.39 1.09 0.30 1.61 -2.85 -1.26 -1.14 119.74 114.10 2yuv s LYS 86 Ca 0.21 0.15 0.03 0.00 -1.00 0.00 0.00 55.97 55.35 2yuv s LYS 86 Cb -0.02 0.51 -0.04 0.00 -2.06 0.00 0.00 37.83 36.22 2yuv s LYS 86 CO 0.07 -0.36 0.13 0.00 0.10 0.00 0.00 175.35 175.29 2yuv s SER 88 N -3.38 0.32 0.23 0.00 1.04 -1.26 -1.91 113.70 108.74 2yuv s SER 88 Ca 0.35 -0.95 -0.05 0.00 0.48 0.00 0.00 55.95 55.79 2yuv s SER 88 Cb 0.06 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 2yuv s SER 88 CO 0.16 -0.68 0.28 0.28 0.98 0.00 0.00 173.24 174.26 2yuv s THR 89 N -3.94 0.00 -0.10 2.02 -1.32 0.13 -4.84 115.64 107.59 2yuv s THR 89 Ca 0.11 -1.77 0.02 0.00 -1.21 0.00 0.00 61.69 58.84 2yuv s THR 89 Cb 0.07 -2.41 0.01 0.00 -1.51 0.00 0.00 72.50 68.66 2yuv s THR 89 CO -0.07 0.00 -0.15 -1.61 -2.21 0.00 0.00 174.62 170.58 2yuv s GLU 90 N -3.99 2.15 -0.16 7.08 2.02 -1.25 -2.68 118.70 121.86 2yuv s GLU 90 Ca 0.33 -0.54 -0.11 0.00 0.02 0.00 0.00 54.97 54.67 2yuv s GLU 90 Cb 0.04 -1.81 -0.05 0.00 0.10 0.00 0.00 34.13 32.41 2yuv s GLU 90 CO 0.12 -0.04 0.21 -1.17 0.02 0.00 0.00 175.26 174.41 2yuv s LEU 91 N 0.91 4.28 -0.42 1.80 1.98 -1.24 0.03 118.68 126.01 2yuv s LEU 91 Ca -0.09 0.43 0.03 0.00 -2.89 0.00 0.00 54.13 51.61 2yuv s LEU 91 Cb -0.15 -2.22 0.12 0.00 0.66 0.00 0.00 46.19 44.59 2yuv s LEU 91 CO -0.00 0.21 0.17 -0.36 -1.89 0.00 0.00 176.35 174.48 2yuv s PHE 92 N 0.02 2.89 -0.43 5.38 0.08 -0.40 -4.43 117.98 121.08 2yuv s PHE 92 Ca 0.14 -2.77 -0.20 0.00 0.12 0.00 0.00 56.93 54.22 2yuv s PHE 92 Cb -0.12 -2.50 0.02 0.00 -0.57 0.00 0.00 43.02 39.85 2yuv s PHE 92 CO 0.02 -0.83 0.59 0.54 -0.10 0.00 0.00 175.22 175.44 2yuv s VAL 93 N 0.46 4.90 0.98 -0.44 0.11 -1.26 -2.57 120.40 122.58 2yuv s VAL 93 Ca 0.14 -0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 59.02 2yuv s VAL 93 Cb -0.22 -4.16 0.20 0.00 -1.53 0.00 0.00 36.38 30.67 2yuv s VAL 93 CO -0.06 -0.55 1.27 -0.13 -3.33 0.00 0.00 175.10 172.31 2yuv s ARG 94 N 2.63 0.50 -0.09 1.54 1.81 -0.88 -4.61 118.95 119.86 2yuv s ARG 94 Ca 0.20 -0.29 -0.03 0.00 -1.72 0.00 0.00 55.73 53.89 2yuv s ARG 94 Cb -0.15 -1.82 0.04 0.00 -0.45 0.00 0.00 34.95 32.57 2yuv s ARG 94 CO 0.17 -2.53 0.07 -1.12 -0.68 0.00 0.00 175.30 171.22 2yuv s SER 95 N -4.69 1.59 0.00 0.23 0.01 -1.26 -1.81 113.70 107.78 2yuv s SER 95 Ca 0.72 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.81 2yuv s SER 95 Cb -0.06 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.97 2yuv s SER 95 CO 0.53 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2yuv n GLY 96 N 5.28 -0.57 0.12 3.44 0.00 -1.26 -4.98 105.19 107.21 2yuv n GLY 96 Ca -0.05 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.49 2yuv n GLY 96 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yuv n PRO 97 N 0.00 0.17 -1.43 1.61 -0.04 -1.26 -4.79 135.00 129.27 2yuv n PRO 97 Ca 0.00 0.41 -0.47 0.00 -0.04 0.00 0.00 63.50 63.40 2yuv n PRO 97 Cb 0.00 -1.83 -0.12 0.00 -0.04 0.00 0.00 33.50 31.51 2yuv n PRO 97 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yuv n SER 98 N -2.16 0.89 -4.69 3.54 7.64 -1.26 -4.82 113.62 112.76 2yuv n SER 98 Ca 0.02 0.28 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 2yuv n SER 98 Cb 0.22 -1.03 0.01 0.00 -1.01 0.00 0.00 64.21 62.39 2yuv n SER 98 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yuv n SER 99 N 10.13 2.43 0.00 6.43 7.64 -1.26 -4.66 113.62 134.33 2yuv n SER 99 Ca 0.56 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.57 2yuv n SER 99 Cb 0.09 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 2yuv n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64