#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 -0.85 -3.61 1.61 7.64 -1.26 -4.38 113.62 112.78 2yuv n SER 2 Ca 0.00 1.60 -0.18 0.00 1.01 0.00 0.00 58.87 61.30 2yuv n SER 2 Cb 0.00 -0.27 -0.15 0.00 -1.01 0.00 0.00 64.21 62.78 2yuv n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yuv s SER 3 N -5.03 1.05 0.00 6.43 0.15 -1.26 -5.14 113.70 109.90 2yuv s SER 3 Ca -0.10 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2yuv s SER 3 Cb 0.09 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2yuv s SER 3 CO 0.49 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2yuv n GLY 4 N 5.32 4.18 2.18 9.45 0.00 -1.26 -5.03 105.19 120.02 2yuv n GLY 4 Ca -0.05 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 2yuv n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yuv n SER 5 N -0.65 6.88 -4.11 1.61 3.41 -1.26 -4.81 113.62 114.69 2yuv n SER 5 Ca 0.00 -3.33 -0.36 0.00 -0.26 0.00 0.00 58.87 54.91 2yuv n SER 5 Cb 0.00 -1.07 -0.11 0.00 -0.26 0.00 0.00 64.21 62.78 2yuv n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yuv s SER 6 N -0.41 5.24 0.00 4.04 0.15 -1.26 -4.69 113.70 116.78 2yuv s SER 6 Ca 0.46 -2.46 0.00 0.00 0.70 0.00 0.00 55.95 54.65 2yuv s SER 6 Cb 0.35 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 2yuv s SER 6 CO -0.07 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2yuv n GLY 7 N 4.02 0.74 3.48 9.45 0.00 -1.26 -5.09 105.19 116.53 2yuv n GLY 7 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.78 -2.58 0.00 4.61 0.00 -1.26 -5.06 121.76 114.69 2yuv s ALA 8 Ca 0.00 2.09 0.00 0.00 0.00 0.00 0.00 51.96 54.05 2yuv s ALA 8 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.17 2yuv s ALA 8 CO 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 175.76 175.00 2yuv n ALA 9 N 4.55 2.03 -2.56 0.00 0.00 -1.26 -4.91 120.51 118.35 2yuv n ALA 9 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 2yuv n ALA 9 Cb 0.54 0.42 -0.07 0.00 0.00 0.00 0.00 19.45 20.33 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 -1.83 3.17 0.29 0.00 0.08 -1.26 -1.29 117.98 117.14 2yuv s PHE 10 Ca 0.00 0.24 0.11 0.00 0.12 0.00 0.00 56.93 57.41 2yuv s PHE 10 Cb 0.00 -3.00 0.46 0.00 -0.57 0.00 0.00 43.02 39.91 2yuv s PHE 10 CO 0.00 -0.57 1.67 0.00 -0.10 0.00 0.00 175.22 176.22 2yuv h ALA 11 N 8.45 1.07 -2.04 5.36 0.00 -1.68 -3.42 119.26 126.99 2yuv h ALA 11 Ca -0.27 -0.50 -0.19 0.00 0.00 0.00 0.00 54.91 53.95 2yuv h ALA 11 Cb 1.12 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.51 2yuv h ALA 11 CO 0.79 0.69 -0.51 0.21 0.00 0.00 0.00 179.25 180.43 2yuv s LYS 12 N -3.73 0.31 0.73 0.00 2.47 -1.23 -4.95 119.74 113.33 2yuv s LYS 12 Ca -0.02 0.46 -0.11 0.00 -1.56 0.00 0.00 55.97 54.74 2yuv s LYS 12 Cb 0.13 -0.64 0.03 0.00 -1.46 0.00 0.00 37.83 35.88 2yuv s LYS 12 CO 0.75 -0.64 1.08 0.96 0.16 0.00 0.00 175.35 177.66 2yuv s ILE 13 N 2.50 3.56 0.59 5.43 -5.25 -1.26 -3.19 121.20 123.57 2yuv s ILE 13 Ca 0.11 0.51 -0.17 0.00 -0.99 0.00 0.00 60.65 60.11 2yuv s ILE 13 Cb -0.15 -3.36 -0.03 0.00 2.95 0.00 0.00 42.46 41.86 2yuv s ILE 13 CO -0.15 -0.66 1.11 -0.76 -1.79 0.00 0.00 174.94 172.69 2yuv s LEU 14 N -5.53 3.58 0.80 0.37 1.43 -1.26 -4.98 118.68 113.09 2yuv s LEU 14 Ca 0.59 2.06 -0.15 0.00 -1.03 0.00 0.00 54.13 55.60 2yuv s LEU 14 Cb -0.13 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.54 2yuv s LEU 14 CO 0.53 -1.36 0.68 0.47 0.23 0.00 0.00 176.35 176.91 2yuv n ASP 15 N -1.81 -0.79 0.08 2.29 9.92 -1.26 -4.86 116.55 120.11 2yuv n ASP 15 Ca 0.11 0.53 0.10 0.00 -0.53 0.00 0.00 54.79 55.00 2yuv n ASP 15 Cb 0.52 -1.29 0.42 0.00 -0.64 0.00 0.00 41.12 40.12 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 -1.64 0.12 -3.65 -0.24 -0.04 -1.26 -4.58 135.00 123.72 2yuv n PRO 16 Ca 0.10 0.36 -0.01 0.00 -0.04 0.00 0.00 63.50 63.91 2yuv n PRO 16 Cb 0.51 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 32.18 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 -3.20 -2.40 0.36 0.55 0.00 -1.26 -4.09 121.76 111.73 2yuv s ALA 17 Ca 0.05 2.04 0.08 0.00 0.00 0.00 0.00 51.96 54.13 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 0.34 -0.30 0.27 0.71 0.00 0.00 0.00 175.76 176.78 2yuv s TYR 18 N 1.00 2.79 -0.16 0.00 1.51 -0.35 -4.98 117.35 117.16 2yuv s TYR 18 Ca -0.06 -0.38 -0.08 0.00 -1.01 0.00 0.00 57.07 55.54 2yuv s TYR 18 Cb -0.03 -1.85 0.06 0.00 -0.11 0.00 0.00 41.96 40.03 2yuv s TYR 18 CO -0.12 0.15 0.37 -0.65 -1.11 0.00 0.00 175.55 174.19 2yuv s GLN 19 N -3.98 0.32 0.13 -0.62 1.11 -1.26 -1.98 119.66 113.38 2yuv s GLN 19 Ca 0.42 0.79 -0.05 0.00 0.01 0.00 0.00 55.36 56.53 2yuv s GLN 19 Cb -0.04 0.03 -0.02 0.00 -1.01 0.00 0.00 33.01 31.97 2yuv s GLN 19 CO 0.26 -0.19 0.16 0.54 0.01 0.00 0.00 175.29 176.06 2yuv s VAL 20 N 1.76 0.10 0.51 1.09 0.11 -1.03 -5.00 120.40 117.94 2yuv s VAL 20 Ca -0.07 -1.59 -0.14 0.00 -2.93 0.00 0.00 61.98 57.26 2yuv s VAL 20 Cb -0.10 -1.82 -0.07 0.00 -1.53 0.00 0.00 36.38 32.86 2yuv s VAL 20 CO -0.12 -0.47 0.94 1.51 -3.33 0.00 0.00 175.10 173.64 2yuv s ASP 21 N -2.98 6.52 0.89 3.54 1.47 -1.26 -2.31 116.67 122.53 2yuv s ASP 21 Ca 0.17 1.43 -0.13 0.00 1.18 0.00 0.00 52.55 55.20 2yuv s ASP 21 Cb 0.05 -2.45 0.03 0.00 -0.34 0.00 0.00 42.92 40.22 2yuv s ASP 21 CO -0.02 -0.60 0.57 1.17 0.68 0.00 0.00 175.17 176.97 2yuv n LYS 22 N -1.75 -0.13 -2.17 2.11 4.81 -1.06 -1.80 118.16 118.16 2yuv n LYS 22 Ca 0.05 0.01 -0.01 0.00 -0.87 0.00 0.00 58.31 57.49 2yuv n LYS 22 Cb 0.54 -1.95 -0.00 0.00 0.02 0.00 0.00 35.03 33.64 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 1.34 -0.40 0.00 3.14 0.00 0.61 -4.78 105.19 105.10 2yuv n GLY 23 Ca 0.08 0.00 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 -0.42 2.11 3.01 -0.02 0.00 -0.75 -4.31 105.19 104.81 2yuv n GLY 24 Ca 0.00 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 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 4.23 0.16 0.47 1.61 3.52 -1.26 -1.24 118.95 126.46 2yuv s ARG 25 Ca 0.00 0.55 0.01 0.00 -0.13 0.00 0.00 55.73 56.16 2yuv s ARG 25 Cb 0.00 -0.12 0.01 0.00 -1.56 0.00 0.00 34.95 33.27 2yuv s ARG 25 CO 0.00 -0.20 0.70 0.14 -0.81 0.00 0.00 175.30 175.13 2yuv s VAL 26 N 1.55 3.68 -0.18 7.11 -7.23 -1.12 -4.91 120.40 119.29 2yuv s VAL 26 Ca -0.06 -0.53 -0.00 0.00 -1.81 0.00 0.00 61.98 59.57 2yuv s VAL 26 Cb -0.11 -3.36 0.05 0.00 0.56 0.00 0.00 36.38 33.51 2yuv s VAL 26 CO -0.08 -0.26 -0.04 -0.60 -0.31 0.00 0.00 175.10 173.81 2yuv s ARG 27 N -4.61 1.40 -0.29 4.82 3.52 -1.26 -3.38 118.95 119.16 2yuv s ARG 27 Ca 0.51 -0.60 -0.00 0.00 -0.13 0.00 0.00 55.73 55.51 2yuv s ARG 27 Cb -0.10 -2.13 0.05 0.00 -1.56 0.00 0.00 34.95 31.22 2yuv s ARG 27 CO 0.38 -0.48 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.29 2yuv s PHE 28 N 1.61 3.26 0.01 5.12 0.08 0.35 -4.96 117.98 123.44 2yuv s PHE 28 Ca -0.01 -2.01 0.07 0.00 0.12 0.00 0.00 56.93 55.10 2yuv s PHE 28 Cb -0.16 -2.05 -0.03 0.00 -0.57 0.00 0.00 43.02 40.22 2yuv s PHE 28 CO -0.07 -0.83 -0.19 0.08 -0.10 0.00 0.00 175.22 174.10 2yuv s VAL 29 N 1.20 2.65 -0.04 -0.44 1.01 -1.26 0.90 120.40 124.42 2yuv s VAL 29 Ca -0.06 -1.07 -0.06 0.00 0.00 0.00 0.00 61.98 60.79 2yuv s VAL 29 Cb -0.20 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.14 2yuv s VAL 29 CO -0.02 0.45 0.15 0.68 0.00 0.00 0.00 175.10 176.35 2yuv s VAL 30 N -0.80 0.02 0.07 2.92 -7.23 -0.55 -4.63 120.40 110.19 2yuv s VAL 30 Ca 0.13 -0.15 0.03 0.00 -1.81 0.00 0.00 61.98 60.18 2yuv s VAL 30 Cb -0.10 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.54 2yuv s VAL 30 CO 0.02 -0.08 0.06 -1.61 -0.31 0.00 0.00 175.10 173.19 2yuv s GLU 31 N -0.22 2.84 -0.07 4.82 8.01 -1.19 -0.77 118.70 132.12 2yuv s GLU 31 Ca -0.03 -0.70 0.04 0.00 0.01 0.00 0.00 54.97 54.29 2yuv s GLU 31 Cb -0.02 -2.71 0.00 0.00 -4.31 0.00 0.00 34.13 27.09 2yuv s GLU 31 CO 0.00 0.57 -0.19 -0.51 0.01 0.00 0.00 175.26 175.14 2yuv s LEU 32 N -2.31 1.93 0.52 1.80 1.43 -0.86 -1.91 118.68 119.28 2yuv s LEU 32 Ca 0.28 -0.43 0.25 0.00 -1.03 0.00 0.00 54.13 53.19 2yuv s LEU 32 Cb -0.12 -1.15 1.37 0.00 0.03 0.00 0.00 46.19 46.32 2yuv s LEU 32 CO 0.21 0.14 1.98 0.00 0.23 0.00 0.00 176.35 178.90 2yuv h ALA 33 N 6.55 2.49 -2.62 4.21 0.00 -1.52 -3.42 119.26 124.95 2yuv h ALA 33 Ca -0.27 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 2yuv h ALA 33 Cb 1.20 0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.80 2yuv h ALA 33 CO 0.47 -0.66 -0.21 -0.51 0.00 0.00 0.00 179.25 178.34 2yuv s ASP 34 N -6.12 -0.38 0.52 0.00 1.11 -1.26 -5.04 116.67 105.50 2yuv s ASP 34 Ca -0.05 0.62 0.31 0.00 0.18 0.00 0.00 52.55 53.60 2yuv s ASP 34 Cb 0.20 0.68 1.28 0.00 1.07 0.00 0.00 42.92 46.15 2yuv s ASP 34 CO 0.74 -0.26 1.96 1.55 1.18 0.00 0.00 175.17 180.34 2yuv h PRO 35 N 4.86 0.00 -0.97 8.23 0.13 -1.87 -3.11 132.00 139.27 2yuv h PRO 35 Ca -0.28 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.99 2yuv h PRO 35 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 2yuv h PRO 35 CO 0.30 0.08 0.59 0.87 -0.23 0.00 0.00 178.00 179.60 2yuv h LYS 36 N 0.00 0.85 -7.30 0.86 1.79 -1.97 -3.42 116.57 107.38 2yuv h LYS 36 Ca -0.00 -0.05 -0.52 0.00 -2.18 0.00 0.00 60.65 57.90 2yuv h LYS 36 Cb 0.55 -0.19 0.14 0.00 -1.58 0.00 0.00 32.23 31.15 2yuv h LYS 36 CO 0.01 0.56 0.30 -0.51 -1.08 0.00 0.00 179.45 178.74 2yuv s LEU 37 N -10.27 3.02 0.04 2.94 1.43 -1.18 -5.05 118.68 109.61 2yuv s LEU 37 Ca -0.12 1.91 0.05 0.00 -1.03 0.00 0.00 54.13 54.94 2yuv s LEU 37 Cb 0.23 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.88 2yuv s LEU 37 CO 0.80 -2.23 -0.09 -0.70 0.23 0.00 0.00 176.35 174.36 2yuv s GLU 38 N -4.80 2.38 -0.00 1.70 2.56 -1.26 -4.97 118.70 114.31 2yuv s GLU 38 Ca 0.63 -0.84 0.01 0.00 0.00 0.00 0.00 54.97 54.77 2yuv s GLU 38 Cb -0.19 -2.41 -0.04 0.00 2.00 0.00 0.00 34.13 33.50 2yuv s GLU 38 CO 0.55 0.57 0.01 0.14 -0.56 0.00 0.00 175.26 175.97 2yuv s VAL 39 N -1.05 4.19 -0.07 3.70 -7.23 -1.26 -4.02 120.40 114.66 2yuv s VAL 39 Ca 0.18 -0.59 -0.03 0.00 -1.81 0.00 0.00 61.98 59.73 2yuv s VAL 39 Cb -0.11 -2.87 0.04 0.00 0.56 0.00 0.00 36.38 34.00 2yuv s VAL 39 CO 0.09 0.38 0.14 -0.54 -0.31 0.00 0.00 175.10 174.86 2yuv s LYS 40 N -1.56 0.07 -0.12 4.82 1.02 -1.04 -4.97 119.74 117.94 2yuv s LYS 40 Ca 0.20 0.43 -0.08 0.00 0.02 0.00 0.00 55.97 56.53 2yuv s LYS 40 Cb -0.12 -0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 36.93 2yuv s LYS 40 CO 0.10 -0.21 0.16 -1.58 -0.92 0.00 0.00 175.35 172.90 2yuv s TRP 41 N 1.55 3.58 0.02 3.18 0.52 -1.26 -2.18 118.94 124.35 2yuv s TRP 41 Ca -0.05 0.54 0.01 0.00 0.02 0.00 0.00 56.10 56.62 2yuv s TRP 41 Cb -0.12 -2.00 -0.01 0.00 -1.15 0.00 0.00 33.47 30.19 2yuv s TRP 41 CO -0.06 0.67 -0.05 0.71 0.02 0.00 0.00 176.95 178.24 2yuv s TYR 42 N -0.84 0.42 -0.28 -1.98 2.02 -1.12 -2.14 117.35 113.44 2yuv s TYR 42 Ca 0.15 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 2yuv s TYR 42 Cb -0.12 -0.26 0.08 0.00 -0.40 0.00 0.00 41.96 41.26 2yuv s TYR 42 CO 0.04 -0.07 0.03 0.21 -1.57 0.00 0.00 175.55 174.18 2yuv s LYS 43 N -0.91 1.19 -1.00 -0.62 2.20 -0.05 -2.56 119.74 117.99 2yuv s LYS 43 Ca -0.07 -1.15 -0.05 0.00 -0.36 0.00 0.00 55.97 54.35 2yuv s LYS 43 Cb -0.06 -2.47 0.01 0.00 -1.51 0.00 0.00 37.83 33.80 2yuv s LYS 43 CO -0.00 -0.81 0.86 -1.71 -0.36 0.00 0.00 175.35 173.33 2yuv n ASN 44 N 4.68 -4.25 -1.85 1.43 2.85 -0.86 -2.85 115.26 114.40 2yuv n ASN 44 Ca -0.05 -0.43 -0.13 0.00 -0.11 0.00 0.00 54.58 53.86 2yuv n ASN 44 Cb 0.43 -3.98 0.02 0.00 1.24 0.00 0.00 39.78 37.49 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 -1.47 0.02 2.77 8.20 0.00 -1.26 -5.02 105.19 108.43 2yuv n GLY 45 Ca -0.07 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.25 -0.01 0.19 1.61 -0.21 -1.13 -5.12 119.66 109.73 2yuv s GLN 46 Ca 0.19 0.47 -0.33 0.00 0.02 0.00 0.00 55.36 55.71 2yuv s GLN 46 Cb -0.08 -0.36 -0.13 0.00 1.00 0.00 0.00 33.01 33.43 2yuv s GLN 46 CO 0.23 -0.31 1.63 -1.91 -2.12 0.00 0.00 175.29 172.82 2yuv n GLU 47 N 5.23 2.42 -3.29 2.91 2.13 -1.26 -0.87 120.64 127.91 2yuv n GLU 47 Ca -0.06 0.87 -0.38 0.00 0.66 0.00 0.00 57.16 58.25 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 0.96 4.91 -0.04 6.31 1.01 -0.91 -4.88 121.20 128.55 2yuv s ILE 48 Ca 0.76 1.14 -0.02 0.00 0.00 0.00 0.00 60.65 62.53 2yuv s ILE 48 Cb -0.60 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 2yuv s ILE 48 CO 0.36 0.47 0.09 -0.13 0.00 0.00 0.00 174.94 175.74 2yuv s ARG 49 N -0.51 3.18 -0.20 2.79 0.52 -1.26 -4.86 118.95 118.61 2yuv s ARG 49 Ca 0.29 -0.37 -0.29 0.00 -0.52 0.00 0.00 55.73 54.83 2yuv s ARG 49 Cb -0.18 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.31 2yuv s ARG 49 CO 0.16 0.69 1.60 -1.25 0.02 0.00 0.00 175.30 176.52 2yuv s PRO 50 N -1.46 3.85 0.23 3.54 0.04 -1.26 -4.66 135.00 135.28 2yuv s PRO 50 Ca 0.20 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.80 2yuv s PRO 50 Cb -0.12 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2yuv s PRO 50 CO 0.10 -1.22 0.49 0.45 0.04 0.00 0.00 177.00 176.86 2yuv s SER 51 N 4.03 -0.13 0.31 6.66 0.15 -0.95 -4.96 113.70 118.81 2yuv s SER 51 Ca 0.71 -0.81 0.18 0.00 0.70 0.00 0.00 55.95 56.73 2yuv s SER 51 Cb -0.25 0.59 1.14 0.00 -1.71 0.00 0.00 66.02 65.78 2yuv s SER 51 CO 0.28 -1.12 1.33 0.35 1.20 0.00 0.00 173.24 175.28 2yuv n THR 52 N -0.37 -0.35 -0.07 6.45 -2.24 -1.26 0.20 114.28 116.65 2yuv n THR 52 Ca -0.04 1.70 -0.14 0.00 -2.27 0.00 0.00 64.05 63.30 2yuv n THR 52 Cb 0.62 -2.76 -0.06 0.00 -2.10 0.00 0.00 70.33 66.03 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 0.56 -4.70 -0.78 3.64 -1.92 -3.42 116.57 109.95 2yuv h LYS 53 Ca 0.72 -0.32 -0.68 0.00 -1.27 0.00 0.00 60.65 59.10 2yuv h LYS 53 Cb 1.91 0.02 -0.20 0.00 -0.41 0.00 0.00 32.23 33.55 2yuv h LYS 53 CO -0.64 0.91 -0.49 0.71 -2.27 0.00 0.00 179.45 177.67 2yuv s TYR 54 N -4.23 3.22 -0.46 1.91 2.02 0.55 -1.98 117.35 118.37 2yuv s TYR 54 Ca -0.13 -0.37 -0.14 0.00 -0.37 0.00 0.00 57.07 56.06 2yuv s TYR 54 Cb 0.07 -2.46 0.07 0.00 -0.40 0.00 0.00 41.96 39.24 2yuv s TYR 54 CO 0.80 -0.42 0.36 0.42 -1.57 0.00 0.00 175.55 175.14 2yuv s ILE 55 N 1.68 5.04 -0.36 2.71 -1.09 -0.34 -2.25 121.20 126.60 2yuv s ILE 55 Ca 0.05 -1.09 -0.18 0.00 -2.23 0.00 0.00 60.65 57.20 2yuv s ILE 55 Cb -0.18 -4.00 -0.00 0.00 -1.58 0.00 0.00 42.46 36.70 2yuv s ILE 55 CO 0.09 -0.54 0.53 -0.36 -1.23 0.00 0.00 174.94 173.43 2yuv s PHE 56 N 1.60 3.17 -0.16 3.97 0.40 -1.26 -2.31 117.98 123.39 2yuv s PHE 56 Ca 0.04 0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.55 2yuv s PHE 56 Cb -0.24 -2.96 0.00 0.00 0.51 0.00 0.00 43.02 40.34 2yuv s PHE 56 CO 0.06 -0.57 -0.16 -1.21 0.70 0.00 0.00 175.22 174.04 2yuv s GLU 57 N 2.44 3.16 -0.19 0.44 2.02 -0.73 -5.01 118.70 120.83 2yuv s GLU 57 Ca 0.19 -0.77 -0.03 0.00 0.02 0.00 0.00 54.97 54.38 2yuv s GLU 57 Cb -0.15 -2.63 -0.01 0.00 0.10 0.00 0.00 34.13 31.44 2yuv s GLU 57 CO 0.14 -0.05 -0.06 -3.38 0.02 0.00 0.00 175.26 171.92 2yuv s HIS 58 N 0.98 2.94 -0.24 1.61 -3.43 -1.26 -1.34 115.29 114.55 2yuv s HIS 58 Ca -0.02 -0.74 -0.04 0.00 -0.80 0.00 0.00 55.06 53.46 2yuv s HIS 58 Cb -0.15 -2.02 0.08 0.00 -1.43 0.00 0.00 32.58 29.06 2yuv s HIS 58 CO -0.03 -0.37 0.10 0.15 -2.00 0.00 0.00 174.74 172.58 2yuv s LYS 59 N 1.02 0.29 3.23 -0.38 3.01 -0.62 -5.02 119.74 121.27 2yuv s LYS 59 Ca 0.00 -0.43 0.00 0.00 -1.01 0.00 0.00 55.97 54.53 2yuv s LYS 59 Cb -0.15 -1.64 0.00 0.00 -1.01 0.00 0.00 37.83 35.03 2yuv s LYS 59 CO -0.00 -0.84 0.00 0.41 0.51 0.00 0.00 175.35 175.43 2yuv n GLY 60 N 5.18 0.64 2.12 -3.33 0.00 -1.26 -0.81 105.19 107.72 2yuv n GLY 60 Ca -0.06 0.65 -0.26 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.62 0.08 -0.19 0.00 0.74 0.01 -2.03 119.66 114.65 2yuv s GLN 62 Ca 0.52 0.11 0.00 0.00 0.05 0.00 0.00 55.36 56.04 2yuv s GLN 62 Cb 0.42 0.03 0.05 0.00 1.10 0.00 0.00 33.01 34.61 2yuv s GLN 62 CO 0.00 -0.02 -0.07 1.03 -0.55 0.00 0.00 175.29 175.69 2yuv s ARG 63 N 0.08 1.65 0.06 1.67 1.81 0.05 -1.59 118.95 122.68 2yuv s ARG 63 Ca -0.00 -0.72 0.02 0.00 -1.72 0.00 0.00 55.73 53.30 2yuv s ARG 63 Cb -0.01 -2.27 -0.04 0.00 -0.45 0.00 0.00 34.95 32.18 2yuv s ARG 63 CO -0.00 -0.47 0.11 0.42 -0.68 0.00 0.00 175.30 174.68 2yuv s ILE 64 N 1.51 4.78 -0.03 1.52 1.09 -0.45 -1.49 121.20 128.13 2yuv s ILE 64 Ca -0.01 -0.61 -0.01 0.00 -1.10 0.00 0.00 60.65 58.92 2yuv s ILE 64 Cb -0.16 -3.29 0.03 0.00 -1.06 0.00 0.00 42.46 37.98 2yuv s ILE 64 CO -0.08 0.17 0.05 -0.22 -0.10 0.00 0.00 174.94 174.77 2yuv s LEU 65 N -2.29 0.88 -0.07 2.97 1.98 0.26 -1.77 118.68 120.64 2yuv s LEU 65 Ca 0.29 0.08 0.05 0.00 -2.89 0.00 0.00 54.13 51.67 2yuv s LEU 65 Cb -0.12 -0.02 -0.01 0.00 0.66 0.00 0.00 46.19 46.70 2yuv s LEU 65 CO 0.22 -0.15 -0.23 -0.36 -1.89 0.00 0.00 176.35 173.94 2yuv s PHE 66 N 1.26 2.51 -0.27 5.38 0.08 -0.98 -0.50 117.98 125.46 2yuv s PHE 66 Ca -0.07 -0.75 0.03 0.00 0.12 0.00 0.00 56.93 56.26 2yuv s PHE 66 Cb -0.13 -1.64 0.06 0.00 -0.57 0.00 0.00 43.02 40.75 2yuv s PHE 66 CO -0.03 -0.24 -0.08 0.42 -0.10 0.00 0.00 175.22 175.19 2yuv s ILE 67 N -0.06 2.24 0.53 0.64 1.01 -1.22 -1.20 121.20 123.15 2yuv s ILE 67 Ca -0.06 -1.70 -0.07 0.00 0.00 0.00 0.00 60.65 58.81 2yuv s ILE 67 Cb -0.15 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 2yuv s ILE 67 CO 0.05 -0.10 0.87 0.20 0.00 0.00 0.00 174.94 175.96 2yuv s ASN 68 N 1.09 6.26 -0.69 3.58 0.01 -0.84 -2.81 114.94 121.54 2yuv s ASN 68 Ca -0.07 1.12 -0.04 0.00 -0.71 0.00 0.00 52.86 53.16 2yuv s ASN 68 Cb -0.20 -2.33 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2yuv s ASN 68 CO -0.05 -0.68 0.60 0.59 -1.51 0.00 0.00 177.10 176.05 2yuv n ASN 69 N -2.41 -4.01 -4.56 -1.22 3.02 -0.37 -4.92 115.26 100.79 2yuv n ASN 69 Ca 0.03 -0.28 -0.39 0.00 -0.03 0.00 0.00 54.58 53.90 2yuv n ASN 69 Cb 0.55 -2.85 -0.03 0.00 -0.61 0.00 0.00 39.78 36.84 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 6.92 2.51 0.39 0.00 2.00 -1.26 0.22 119.66 130.43 2yuv s GLN 71 Ca 0.76 -1.06 0.20 0.00 -2.00 0.00 0.00 55.36 53.26 2yuv s GLN 71 Cb -0.16 -2.42 1.16 0.00 0.80 0.00 0.00 33.01 32.40 2yuv s GLN 71 CO 0.25 0.46 1.70 1.98 -0.50 0.00 0.00 175.29 179.18 2yuv h MET 72 N 2.66 0.30 -0.07 1.67 -1.53 -1.81 0.78 114.93 116.94 2yuv h MET 72 Ca -0.47 -0.02 -0.16 0.00 -3.44 0.00 0.00 59.70 55.61 2yuv h MET 72 Cb 1.20 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 32.17 2yuv h MET 72 CO 0.59 0.20 -0.66 0.00 0.14 0.00 0.00 176.91 177.18 2yuv h THR 73 N 0.31 1.39 -0.59 -0.77 1.03 -1.94 -3.11 112.91 109.23 2yuv h THR 73 Ca 0.70 -2.08 -0.01 0.00 -0.01 0.00 0.00 66.41 65.00 2yuv h THR 73 Cb 1.80 2.07 -0.03 0.00 -1.07 0.00 0.00 68.15 70.92 2yuv h THR 73 CO -0.43 0.62 0.32 0.44 -0.01 0.00 0.00 175.52 176.46 2yuv h ASP 74 N 0.20 0.73 0.00 0.00 3.32 0.22 -3.42 116.42 117.48 2yuv h ASP 74 Ca -0.01 -0.05 -0.53 0.00 0.02 0.00 0.00 57.03 56.45 2yuv h ASP 74 Cb 1.20 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.48 2yuv h ASP 74 CO 0.11 0.59 1.71 -0.67 -1.72 0.00 0.00 179.24 179.26 2yuv n ASP 75 N -4.39 0.34 -4.25 6.45 2.03 -0.92 -4.85 116.55 110.96 2yuv n ASP 75 Ca 0.05 0.23 -0.15 0.00 0.52 0.00 0.00 54.79 55.45 2yuv n ASP 75 Cb 0.10 -0.92 -0.10 0.00 -0.72 0.00 0.00 41.12 39.48 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 8.67 0.84 0.19 1.67 0.01 -1.26 -4.97 113.70 118.84 2yuv s SER 76 Ca 1.34 -1.40 -0.28 0.00 1.31 0.00 0.00 55.95 56.92 2yuv s SER 76 Cb -1.29 0.25 -0.08 0.00 0.21 0.00 0.00 66.02 65.12 2yuv s SER 76 CO 0.51 -0.78 0.89 -1.83 0.41 0.00 0.00 173.24 172.44 2yuv s GLU 77 N -4.07 4.74 -0.01 12.44 -1.05 -1.26 -3.65 118.70 125.84 2yuv s GLU 77 Ca 0.38 1.37 0.06 0.00 -0.15 0.00 0.00 54.97 56.63 2yuv s GLU 77 Cb 0.07 -3.29 -0.01 0.00 -0.44 0.00 0.00 34.13 30.45 2yuv s GLU 77 CO 0.13 0.47 -0.18 0.71 0.95 0.00 0.00 175.26 177.34 2yuv s TYR 78 N -0.93 1.64 -0.13 4.83 1.51 -1.03 -2.03 117.35 121.21 2yuv s TYR 78 Ca 0.40 -0.31 -0.06 0.00 -1.01 0.00 0.00 57.07 56.09 2yuv s TYR 78 Cb -0.25 -1.05 0.06 0.00 -0.11 0.00 0.00 41.96 40.61 2yuv s TYR 78 CO 0.30 -0.02 0.29 1.52 -1.11 0.00 0.00 175.55 176.52 2yuv s TYR 79 N -0.44 -0.43 -0.04 2.71 1.13 -1.06 -0.51 117.35 118.71 2yuv s TYR 79 Ca 0.07 0.97 -0.00 0.00 -1.41 0.00 0.00 57.07 56.70 2yuv s TYR 79 Cb -0.07 0.07 -0.04 0.00 -1.10 0.00 0.00 41.96 40.82 2yuv s TYR 79 CO -0.01 -0.31 0.02 0.54 -2.51 0.00 0.00 175.55 173.29 2yuv s VAL 80 N 1.76 4.35 0.00 -3.49 0.11 -1.03 -2.79 120.40 119.32 2yuv s VAL 80 Ca -0.05 -0.40 0.06 0.00 -2.93 0.00 0.00 61.98 58.66 2yuv s VAL 80 Cb -0.11 -2.90 -0.03 0.00 -1.53 0.00 0.00 36.38 31.81 2yuv s VAL 80 CO -0.09 0.47 -0.18 0.42 -3.33 0.00 0.00 175.10 172.39 2yuv s THR 81 N -1.02 2.79 -0.25 5.04 -4.23 -0.93 -2.19 115.64 114.86 2yuv s THR 81 Ca 0.17 -1.01 -0.03 0.00 -1.18 0.00 0.00 61.69 59.64 2yuv s THR 81 Cb -0.12 -2.12 0.14 0.00 1.34 0.00 0.00 72.50 71.74 2yuv s THR 81 CO 0.07 0.46 0.42 0.00 -0.54 0.00 0.00 174.62 175.04 2yuv s ALA 82 N -0.81 -1.30 0.00 3.99 0.00 -0.32 -2.51 121.76 120.82 2yuv s ALA 82 Ca 0.13 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.26 2yuv s ALA 82 Cb -0.10 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.32 2yuv s ALA 82 CO 0.03 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.01 2yuv n GLY 83 N 5.38 2.47 0.89 0.00 0.00 -1.26 -2.52 105.19 110.15 2yuv n GLY 83 Ca -0.04 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 9.82 2.49 -3.98 1.61 8.00 -1.26 -5.01 116.55 128.22 2yuv n ASP 84 Ca 0.00 -3.63 -0.09 0.00 0.71 0.00 0.00 54.79 51.78 2yuv n ASP 84 Cb 0.00 -0.58 -0.08 0.00 -0.02 0.00 0.00 41.12 40.44 2yuv n ASP 84 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2yuv s GLU 85 N -3.15 0.94 -0.05 -1.24 2.02 -1.05 -4.99 118.70 111.17 2yuv s GLU 85 Ca 0.42 -1.16 -0.29 0.00 0.02 0.00 0.00 54.97 53.95 2yuv s GLU 85 Cb 0.38 0.32 0.10 0.00 0.10 0.00 0.00 34.13 35.02 2yuv s GLU 85 CO -0.00 -0.30 0.82 -1.59 0.02 0.00 0.00 175.26 174.21 2yuv s LYS 86 N -3.94 0.88 0.34 1.61 -2.85 -1.26 -1.17 119.74 113.35 2yuv s LYS 86 Ca 0.13 0.02 0.03 0.00 -1.00 0.00 0.00 55.97 55.16 2yuv s LYS 86 Cb 0.05 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.19 2yuv s LYS 86 CO -0.05 -0.31 0.11 0.00 0.10 0.00 0.00 175.35 175.20 2yuv s SER 88 N -3.48 0.20 0.22 0.00 1.04 -1.26 -2.47 113.70 107.95 2yuv s SER 88 Ca 0.32 -0.60 -0.09 0.00 0.48 0.00 0.00 55.95 56.06 2yuv s SER 88 Cb 0.06 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 2yuv s SER 88 CO 0.15 -0.56 0.34 0.28 0.98 0.00 0.00 173.24 174.43 2yuv s THR 89 N -2.98 0.02 -0.08 2.02 -1.32 0.34 -4.87 115.64 108.76 2yuv s THR 89 Ca -0.02 -1.55 0.04 0.00 -1.21 0.00 0.00 61.69 58.95 2yuv s THR 89 Cb 0.01 -2.19 0.00 0.00 -1.51 0.00 0.00 72.50 68.81 2yuv s THR 89 CO -0.06 -0.07 -0.21 -1.61 -2.21 0.00 0.00 174.62 170.46 2yuv s GLU 90 N -4.04 2.59 -0.16 7.08 8.01 -1.26 -2.47 118.70 128.45 2yuv s GLU 90 Ca 0.25 -0.76 -0.12 0.00 0.01 0.00 0.00 54.97 54.35 2yuv s GLU 90 Cb 0.02 -2.03 -0.05 0.00 -4.31 0.00 0.00 34.13 27.77 2yuv s GLU 90 CO 0.08 0.18 0.24 -1.17 0.01 0.00 0.00 175.26 174.60 2yuv s LEU 91 N 0.31 4.27 -0.40 1.80 1.98 -1.24 -1.21 118.68 124.18 2yuv s LEU 91 Ca -0.15 0.46 0.04 0.00 -2.89 0.00 0.00 54.13 51.59 2yuv s LEU 91 Cb -0.16 -2.29 0.11 0.00 0.66 0.00 0.00 46.19 44.51 2yuv s LEU 91 CO 0.07 0.17 0.13 -0.36 -1.89 0.00 0.00 176.35 174.46 2yuv s PHE 92 N 0.19 3.36 -0.26 5.38 0.08 -0.84 -4.48 117.98 121.41 2yuv s PHE 92 Ca 0.15 -2.95 -0.10 0.00 0.12 0.00 0.00 56.93 54.14 2yuv s PHE 92 Cb -0.13 -2.76 -0.05 0.00 -0.57 0.00 0.00 43.02 39.51 2yuv s PHE 92 CO 0.03 -0.87 0.16 0.54 -0.10 0.00 0.00 175.22 174.98 2yuv s VAL 93 N 0.54 5.15 0.82 -0.44 0.11 -1.26 -2.47 120.40 122.86 2yuv s VAL 93 Ca 0.13 0.11 -0.12 0.00 -2.93 0.00 0.00 61.98 59.17 2yuv s VAL 93 Cb -0.21 -3.43 0.09 0.00 -1.53 0.00 0.00 36.38 31.29 2yuv s VAL 93 CO -0.06 0.29 1.17 -0.13 -3.33 0.00 0.00 175.10 173.04 2yuv s ARG 94 N 1.53 1.86 -0.30 1.54 0.52 -0.98 -4.40 118.95 118.72 2yuv s ARG 94 Ca 0.07 0.14 -0.11 0.00 -0.52 0.00 0.00 55.73 55.32 2yuv s ARG 94 Cb -0.15 -1.94 0.13 0.00 0.52 0.00 0.00 34.95 33.51 2yuv s ARG 94 CO 0.08 -1.67 0.67 -1.12 0.02 0.00 0.00 175.30 173.28 2yuv s SER 95 N -4.49 -1.11 0.00 0.23 0.01 -1.26 -2.55 113.70 104.53 2yuv s SER 95 Ca 0.62 1.53 0.00 0.00 1.31 0.00 0.00 55.95 59.41 2yuv s SER 95 Cb -0.12 2.23 0.00 0.00 0.21 0.00 0.00 66.02 68.34 2yuv s SER 95 CO 0.50 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2yuv n GLY 96 N 5.36 0.56 3.62 3.44 0.00 -1.26 -5.03 105.19 111.88 2yuv n GLY 96 Ca -0.12 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.61 -0.75 0.11 1.61 0.04 -1.26 -5.05 135.00 127.09 2yuv s PRO 97 Ca 0.00 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.14 2yuv s PRO 97 Cb 0.00 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.90 2yuv s PRO 97 CO 0.00 -3.43 0.00 0.43 0.04 0.00 0.00 177.00 174.04 2yuv n SER 98 N -4.60 0.64 -4.42 6.66 7.64 -1.26 -5.12 113.62 113.17 2yuv n SER 98 Ca 0.11 0.17 -0.21 0.00 1.01 0.00 0.00 58.87 59.95 2yuv n SER 98 Cb 0.59 -0.13 -0.10 0.00 -1.01 0.00 0.00 64.21 63.56 2yuv n SER 98 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yuv s SER 99 N -5.60 2.61 0.00 6.43 0.01 -1.26 -5.31 113.70 110.58 2yuv s SER 99 Ca 0.00 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.05 2yuv s SER 99 Cb 0.00 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2yuv s SER 99 CO 0.00 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.87