#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyq n ALA 2 N 0.00 0.30 -1.22 2.61 0.00 -1.26 -4.86 120.51 116.08 2jyq n ALA 2 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.17 2jyq n ALA 2 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2jyq n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jyq n GLU 3 N 1.00 0.94 -0.34 0.00 -0.58 -1.08 -4.82 120.64 115.75 2jyq n GLU 3 Ca 0.14 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.90 2jyq n GLU 3 Cb 0.63 0.00 0.16 0.00 -0.57 0.00 0.00 31.44 31.66 2jyq n GLU 3 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2jyq h GLU 4 N 0.00 1.05 0.17 3.49 5.08 -2.02 -2.99 114.58 119.36 2jyq h GLU 4 Ca 0.00 -0.06 -0.31 0.00 -1.00 0.00 0.00 59.36 57.99 2jyq h GLU 4 Cb 0.00 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.03 2jyq h GLU 4 CO 0.00 0.69 -1.51 0.11 -1.00 0.00 0.00 179.01 177.31 2jyq h TRP 5 N 1.08 0.66 -3.04 4.33 5.08 -1.94 -3.44 115.95 118.68 2jyq h TRP 5 Ca 0.41 -0.48 -0.60 0.00 1.08 0.00 0.00 58.89 59.30 2jyq h TRP 5 Cb 0.18 -0.03 -0.12 0.00 -3.00 0.00 0.00 29.16 26.20 2jyq h TRP 5 CO -0.02 1.59 0.65 -0.47 -1.28 0.00 0.00 178.44 178.91 2jyq s TYR 6 N -2.53 2.71 -2.27 0.12 6.14 -1.13 -1.58 117.35 118.80 2jyq s TYR 6 Ca -0.16 -0.06 0.25 0.00 0.64 0.00 0.00 57.07 57.74 2jyq s TYR 6 Cb 0.04 -4.21 0.52 0.00 0.42 0.00 0.00 41.96 38.74 2jyq s TYR 6 CO 0.84 -1.49 1.43 1.19 0.64 0.00 0.00 175.55 178.16 2jyq n PHE 7 N 7.77 0.00 -4.04 4.97 3.72 -0.19 -2.64 117.46 127.05 2jyq n PHE 7 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2jyq n PHE 7 Cb 0.47 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 2jyq n PHE 7 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jyq n GLY 8 N 1.32 -2.01 3.55 1.37 0.00 -1.24 -4.63 105.19 103.55 2jyq n GLY 8 Ca 0.14 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 2jyq n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jyq s LYS 9 N 0.00 2.45 0.00 1.61 -2.85 -1.26 -0.39 119.74 119.31 2jyq s LYS 9 Ca 0.00 0.72 0.06 0.00 -1.00 0.00 0.00 55.97 55.75 2jyq s LYS 9 Cb 0.00 -4.51 -0.02 0.00 -2.06 0.00 0.00 37.83 31.24 2jyq s LYS 9 CO 0.00 -2.99 -0.19 0.96 0.10 0.00 0.00 175.35 173.23 2jyq s ILE 10 N 10.15 1.50 0.55 3.79 -4.36 -1.25 -4.89 121.20 126.69 2jyq s ILE 10 Ca 0.76 -0.91 -0.18 0.00 -0.26 0.00 0.00 60.65 60.06 2jyq s ILE 10 Cb -0.13 -1.27 -0.06 0.00 1.25 0.00 0.00 42.46 42.26 2jyq s ILE 10 CO 0.20 0.34 1.06 0.42 0.24 0.00 0.00 174.94 177.19 2jyq s THR 11 N -0.55 3.69 0.39 8.37 -4.23 -1.26 -4.65 115.64 117.39 2jyq s THR 11 Ca 0.07 0.92 0.05 0.00 -1.18 0.00 0.00 61.69 61.55 2jyq s THR 11 Cb -0.08 -3.38 0.26 0.00 1.34 0.00 0.00 72.50 70.65 2jyq s THR 11 CO 0.00 -0.35 2.04 0.08 -0.54 0.00 0.00 174.62 175.85 2jyq h ARG 12 N 0.93 0.66 -0.86 3.99 0.11 -1.97 -0.66 114.38 116.57 2jyq h ARG 12 Ca -0.48 -0.04 0.10 0.00 0.10 0.00 0.00 59.98 59.66 2jyq h ARG 12 Cb 1.23 -0.15 -0.08 0.00 1.11 0.00 0.00 29.97 32.08 2jyq h ARG 12 CO 0.58 0.43 0.51 0.07 0.10 0.00 0.00 179.97 181.66 2jyq h ARG 13 N 0.68 0.81 0.06 0.08 0.11 -1.99 0.91 114.38 115.04 2jyq h ARG 13 Ca 0.18 -0.05 -0.12 0.00 0.10 0.00 0.00 59.98 60.09 2jyq h ARG 13 Cb -0.08 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 30.82 2jyq h ARG 13 CO -0.04 0.54 -0.59 0.93 0.10 0.00 0.00 179.97 180.90 2jyq h GLU 14 N 0.84 0.12 -0.11 0.08 4.39 -1.75 -2.96 114.58 115.19 2jyq h GLU 14 Ca 0.42 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.93 2jyq h GLU 14 Cb 0.39 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2jyq h GLU 14 CO -0.25 1.10 0.04 1.03 -1.16 0.00 0.00 179.01 179.76 2jyq h SER 15 N -0.73 0.04 0.88 1.42 0.87 -0.89 -0.87 113.55 114.28 2jyq h SER 15 Ca -0.13 0.01 -0.23 0.00 -1.23 0.00 0.00 61.79 60.21 2jyq h SER 15 Cb 1.33 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.27 2jyq h SER 15 CO 0.02 0.04 -1.07 1.05 -0.53 0.00 0.00 176.83 176.35 2jyq h GLU 16 N 0.09 0.08 -0.72 2.24 4.11 -1.00 -2.89 114.58 116.50 2jyq h GLU 16 Ca 0.05 -0.14 0.05 0.00 0.07 0.00 0.00 59.36 59.39 2jyq h GLU 16 Cb 0.02 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2jyq h GLU 16 CO -0.05 1.06 0.48 -0.09 0.07 0.00 0.00 179.01 180.48 2jyq h ARG 17 N 0.02 0.79 -0.51 1.06 2.43 -1.33 0.21 114.38 117.05 2jyq h ARG 17 Ca -0.05 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2jyq h ARG 17 Cb 1.82 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 31.17 2jyq h ARG 17 CO 0.15 0.52 0.32 -0.07 -1.51 0.00 0.00 179.97 179.39 2jyq h LEU 18 N 0.81 0.60 -0.71 3.80 3.38 -0.95 -2.60 115.31 119.64 2jyq h LEU 18 Ca 0.30 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 2jyq h LEU 18 Cb 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2jyq h LEU 18 CO -0.09 0.46 -0.22 -0.07 0.09 0.00 0.00 178.44 178.61 2jyq h LEU 19 N 0.69 0.00 0.00 1.67 3.38 -1.04 -2.22 115.31 117.79 2jyq h LEU 19 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2jyq h LEU 19 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2jyq h LEU 19 CO -0.04 0.22 0.00 0.18 0.09 0.00 0.00 178.44 178.89 2jyq n LEU 20 N -3.26 0.00 -4.66 1.67 7.99 0.61 -4.69 117.00 114.66 2jyq n LEU 20 Ca 0.01 0.40 -0.43 0.00 -0.01 0.00 0.00 56.01 55.98 2jyq n LEU 20 Cb 0.50 -0.40 -0.02 0.00 -0.11 0.00 0.00 43.42 43.39 2jyq n LEU 20 CO 0.34 -0.12 0.90 0.20 -1.51 0.00 0.00 177.39 177.20 2jyq s ASN 21 N -2.79 7.07 0.00 -1.43 0.01 -0.84 -4.91 114.94 112.05 2jyq s ASN 21 Ca 0.15 1.35 -0.01 0.00 -0.71 0.00 0.00 52.86 53.63 2jyq s ASN 21 Cb 0.14 -2.53 -0.06 0.00 0.41 0.00 0.00 41.25 39.20 2jyq s ASN 21 CO 0.35 -0.66 1.53 -2.65 -1.51 0.00 0.00 177.10 174.16 2jyq n PRO 22 N 6.30 0.76 0.00 -0.60 -0.02 -1.26 -3.16 135.00 137.02 2jyq n PRO 22 Ca 0.11 -0.24 0.03 0.00 -2.02 0.00 0.00 63.50 61.38 2jyq n PRO 22 Cb 0.46 -1.48 0.02 0.00 -0.02 0.00 0.00 33.50 32.48 2jyq n PRO 22 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2jyq n GLU 23 N 2.20 0.02 -4.67 -0.52 -0.58 -1.26 -5.01 120.64 110.82 2jyq n GLU 23 Ca 0.10 -0.79 -0.27 0.00 -0.42 0.00 0.00 57.16 55.78 2jyq n GLU 23 Cb 0.36 -1.09 -0.14 0.00 -0.57 0.00 0.00 31.44 30.00 2jyq n GLU 23 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jyq s ASN 24 N -0.51 2.72 0.70 1.62 2.20 -1.19 -5.09 114.94 115.39 2jyq s ASN 24 Ca 0.06 -0.57 -0.05 0.00 -0.94 0.00 0.00 52.86 51.37 2jyq s ASN 24 Cb 0.05 -0.22 0.08 0.00 -2.00 0.00 0.00 41.25 39.15 2jyq s ASN 24 CO 0.08 0.18 0.99 -2.16 -2.94 0.00 0.00 177.10 173.25 2jyq s PRO 25 N -1.30 2.03 0.09 3.55 0.04 -1.26 -4.96 135.00 133.18 2jyq s PRO 25 Ca 0.09 -0.52 -0.31 0.00 0.04 0.00 0.00 61.00 60.30 2jyq s PRO 25 Cb -0.09 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 2jyq s PRO 25 CO 0.02 -1.28 1.66 0.50 0.04 0.00 0.00 177.00 177.95 2jyq s ARG 26 N -5.19 4.19 0.00 4.56 3.52 -1.26 -2.66 118.95 122.11 2jyq s ARG 26 Ca 0.62 2.37 0.00 0.00 -0.13 0.00 0.00 55.73 58.59 2jyq s ARG 26 Cb -0.09 -3.54 0.00 0.00 -1.56 0.00 0.00 34.95 29.76 2jyq s ARG 26 CO 0.44 -0.73 0.00 0.41 -0.81 0.00 0.00 175.30 174.61 2jyq n GLY 27 N 3.99 1.26 3.63 8.12 0.00 -0.97 -4.89 105.19 116.33 2jyq n GLY 27 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2jyq n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jyq s THR 28 N -2.00 4.57 0.37 2.61 2.01 -1.09 -1.57 115.64 120.54 2jyq s THR 28 Ca 0.00 1.57 0.07 0.00 0.31 0.00 0.00 61.69 63.64 2jyq s THR 28 Cb 0.00 -4.36 -0.07 0.00 0.01 0.00 0.00 72.50 68.08 2jyq s THR 28 CO 0.00 -0.44 -0.01 0.72 -0.69 0.00 0.00 174.62 174.20 2jyq s PHE 29 N 3.50 2.35 -0.29 4.92 -0.71 0.30 -0.25 117.98 127.80 2jyq s PHE 29 Ca 0.42 -0.69 -0.15 0.00 -1.04 0.00 0.00 56.93 55.47 2jyq s PHE 29 Cb -0.12 -1.56 0.11 0.00 -1.21 0.00 0.00 43.02 40.23 2jyq s PHE 29 CO 0.15 0.38 0.77 -0.48 -1.34 0.00 0.00 175.22 174.70 2jyq s LEU 30 N -3.63 -0.86 -0.45 -1.99 2.34 -0.67 -0.27 118.68 113.16 2jyq s LEU 30 Ca 0.34 1.32 -0.21 0.00 0.06 0.00 0.00 54.13 55.65 2jyq s LEU 30 Cb 0.08 2.19 0.03 0.00 -0.56 0.00 0.00 46.19 47.92 2jyq s LEU 30 CO 0.17 -0.20 0.67 0.54 -1.06 0.00 0.00 176.35 176.46 2jyq s VAL 31 N 1.80 4.79 0.16 1.48 0.11 -0.62 -2.29 120.40 125.84 2jyq s VAL 31 Ca -0.09 0.12 0.06 0.00 -2.93 0.00 0.00 61.98 59.15 2jyq s VAL 31 Cb -0.06 -4.24 -0.04 0.00 -1.53 0.00 0.00 36.38 30.51 2jyq s VAL 31 CO -0.19 -0.64 0.03 0.00 -3.33 0.00 0.00 175.10 170.97 2jyq s ARG 32 N 2.91 2.53 0.41 1.54 1.70 -0.41 -1.02 118.95 126.60 2jyq s ARG 32 Ca 0.23 -1.02 -0.15 0.00 -0.47 0.00 0.00 55.73 54.33 2jyq s ARG 32 Cb -0.14 -2.44 -0.08 0.00 -0.57 0.00 0.00 34.95 31.71 2jyq s ARG 32 CO 0.19 0.47 0.84 -2.00 -1.08 0.00 0.00 175.30 173.72 2jyq s GLU 33 N -2.88 3.96 0.13 3.89 -6.30 0.48 0.52 118.70 118.50 2jyq s GLU 33 Ca 0.28 0.75 -0.31 0.00 -2.50 0.00 0.00 54.97 53.19 2jyq s GLU 33 Cb -0.10 -2.31 -0.11 0.00 0.00 0.00 0.00 34.13 31.62 2jyq s GLU 33 CO 0.19 -0.03 1.83 -1.13 0.02 0.00 0.00 175.26 176.15 2jyq n SER 34 N -0.98 4.06 -0.04 -1.70 3.41 -1.23 -3.83 113.62 113.32 2jyq n SER 34 Ca 0.04 0.99 -0.10 0.00 -0.26 0.00 0.00 58.87 59.55 2jyq n SER 34 Cb 0.54 -1.55 -0.09 0.00 -0.26 0.00 0.00 64.21 62.85 2jyq n SER 34 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2jyq h GLU 35 N 8.42 -0.04 0.00 4.33 4.11 -1.89 -3.39 114.58 126.12 2jyq h GLU 35 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2jyq h GLU 35 Cb 1.22 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2jyq h GLU 35 CO 0.95 0.58 -0.70 0.25 0.07 0.00 0.00 179.01 180.16 2jyq n THR 36 N -4.73 0.00 -3.13 -1.06 -2.24 -1.26 -4.97 114.28 96.89 2jyq n THR 36 Ca -0.07 -0.23 -0.26 0.00 -2.27 0.00 0.00 64.05 61.22 2jyq n THR 36 Cb 0.31 0.89 -0.01 0.00 -2.10 0.00 0.00 70.33 69.42 2jyq n THR 36 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2jyq s THR 37 N -2.22 5.02 -0.74 4.28 2.01 -1.26 -5.06 115.64 117.68 2jyq s THR 37 Ca 0.03 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 61.93 2jyq s THR 37 Cb 0.09 -3.84 0.18 0.00 0.01 0.00 0.00 72.50 68.94 2jyq s THR 37 CO 0.49 -0.61 0.54 -0.54 -0.69 0.00 0.00 174.62 173.81 2jyq s LYS 38 N -4.30 2.60 0.00 4.92 -0.14 -1.26 -4.61 119.74 116.95 2jyq s LYS 38 Ca 0.43 -3.34 0.00 0.00 -1.36 0.00 0.00 55.97 51.70 2jyq s LYS 38 Cb -0.10 -3.52 0.00 0.00 -1.68 0.00 0.00 37.83 32.53 2jyq s LYS 38 CO 0.38 -1.28 0.00 0.41 -0.76 0.00 0.00 175.35 174.09 2jyq n GLY 39 N 2.03 0.70 3.01 -3.33 0.00 -1.26 -5.11 105.19 101.23 2jyq n GLY 39 Ca 0.20 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 2jyq n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyq s ALA 40 N -0.65 -1.66 0.38 4.61 0.00 -1.26 -4.52 121.76 118.67 2jyq s ALA 40 Ca 0.00 -0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 2jyq s ALA 40 Cb 0.00 -2.50 -0.10 0.00 0.00 0.00 0.00 23.12 20.52 2jyq s ALA 40 CO 0.00 -2.20 1.37 0.71 0.00 0.00 0.00 175.76 175.64 2jyq s TYR 41 N 1.57 2.77 -0.37 0.00 1.51 -0.86 -3.54 117.35 118.43 2jyq s TYR 41 Ca 0.18 1.33 -0.07 0.00 -1.01 0.00 0.00 57.07 57.50 2jyq s TYR 41 Cb -0.07 -3.80 0.06 0.00 -0.11 0.00 0.00 41.96 38.04 2jyq s TYR 41 CO -0.06 -2.37 0.16 0.00 -1.11 0.00 0.00 175.55 172.17 2jyq s LEU 43 N 1.37 4.65 -0.03 0.00 1.98 -0.05 -1.29 118.68 125.31 2jyq s LEU 43 Ca 0.01 -2.12 -0.23 0.00 -2.89 0.00 0.00 54.13 48.90 2jyq s LEU 43 Cb -0.21 -2.45 -0.04 0.00 0.66 0.00 0.00 46.19 44.15 2jyq s LEU 43 CO 0.02 -1.11 0.68 -0.55 -1.89 0.00 0.00 176.35 173.49 2jyq s SER 44 N 3.81 7.01 -0.01 3.68 0.15 -0.97 -2.02 113.70 125.36 2jyq s SER 44 Ca 0.39 1.22 0.05 0.00 0.70 0.00 0.00 55.95 58.31 2jyq s SER 44 Cb -0.03 -2.40 -0.01 0.00 -1.71 0.00 0.00 66.02 61.86 2jyq s SER 44 CO -0.07 -0.03 -0.18 0.54 1.20 0.00 0.00 173.24 174.71 2jyq s VAL 45 N 0.36 1.39 0.08 4.45 0.11 -0.71 -1.67 120.40 124.42 2jyq s VAL 45 Ca 0.35 -0.76 -0.21 0.00 -2.93 0.00 0.00 61.98 58.44 2jyq s VAL 45 Cb -0.18 -1.16 -0.07 0.00 -1.53 0.00 0.00 36.38 33.44 2jyq s VAL 45 CO 0.18 0.39 0.61 -0.94 -3.33 0.00 0.00 175.10 172.01 2jyq s SER 46 N -0.43 7.12 -0.11 3.54 1.04 0.66 -1.16 113.70 124.35 2jyq s SER 46 Ca 0.07 1.32 0.02 0.00 0.48 0.00 0.00 55.95 57.85 2jyq s SER 46 Cb -0.07 -2.39 0.01 0.00 0.10 0.00 0.00 66.02 63.68 2jyq s SER 46 CO -0.01 0.25 -0.18 -0.62 0.98 0.00 0.00 173.24 173.67 2jyq s ASP 47 N -1.03 2.58 -0.74 7.02 2.15 0.10 -2.29 116.67 124.46 2jyq s ASP 47 Ca 0.30 -0.46 -0.07 0.00 0.43 0.00 0.00 52.55 52.75 2jyq s ASP 47 Cb -0.20 -1.17 0.19 0.00 -0.30 0.00 0.00 42.92 41.44 2jyq s ASP 47 CO 0.20 0.06 0.62 0.12 -0.17 0.00 0.00 175.17 176.00 2jyq s PHE 48 N 0.79 3.61 0.25 -5.34 5.36 -1.26 -0.77 117.98 120.61 2jyq s PHE 48 Ca -0.10 -2.45 -0.07 0.00 -0.96 0.00 0.00 56.93 53.35 2jyq s PHE 48 Cb -0.16 -3.47 -0.06 0.00 -0.34 0.00 0.00 43.02 38.99 2jyq s PHE 48 CO 0.01 -0.90 0.54 0.34 -1.46 0.00 0.00 175.22 173.75 2jyq s ASP 49 N 1.22 6.53 -0.01 6.13 2.15 -0.61 -4.89 116.67 127.19 2jyq s ASP 49 Ca 0.19 0.80 0.22 0.00 0.43 0.00 0.00 52.55 54.19 2jyq s ASP 49 Cb -0.15 -2.18 0.66 0.00 -0.30 0.00 0.00 42.92 40.95 2jyq s ASP 49 CO -0.06 -0.12 1.55 -0.46 -0.17 0.00 0.00 175.17 175.91 2jyq n ASN 50 N -0.49 4.06 0.00 -0.34 0.23 -1.26 -1.81 115.26 115.65 2jyq n ASN 50 Ca -0.01 -2.04 0.00 0.00 -0.53 0.00 0.00 54.58 52.00 2jyq n ASN 50 Cb 0.53 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 2jyq n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jyq n ALA 51 N 1.63 2.23 -0.08 -2.53 0.00 -1.26 -4.83 120.51 115.67 2jyq n ALA 51 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.54 2jyq n ALA 51 Cb 0.65 0.45 -0.14 0.00 0.00 0.00 0.00 19.45 20.41 2jyq n ALA 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jyq n LYS 52 N -2.52 0.68 0.00 0.00 4.81 -1.26 -5.11 118.16 114.76 2jyq n LYS 52 Ca 0.00 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2jyq n LYS 52 Cb 0.45 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.90 2jyq n LYS 52 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jyq n GLY 53 N 1.97 -0.72 3.68 3.14 0.00 -0.75 -4.95 105.19 107.57 2jyq n GLY 53 Ca -0.36 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.20 2jyq n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jyq s LEU 54 N 0.00 4.32 0.02 0.99 1.43 -1.26 -1.58 118.68 122.60 2jyq s LEU 54 Ca 0.00 2.15 0.02 0.00 -1.03 0.00 0.00 54.13 55.26 2jyq s LEU 54 Cb 0.00 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 2jyq s LEU 54 CO 0.00 -0.76 -0.06 0.54 0.23 0.00 0.00 176.35 176.30 2jyq s ASN 55 N 2.07 0.68 -0.17 2.29 2.20 0.05 -4.97 114.94 117.10 2jyq s ASN 55 Ca 0.65 -0.38 -0.04 0.00 -0.94 0.00 0.00 52.86 52.16 2jyq s ASN 55 Cb -0.32 0.01 -0.02 0.00 -2.00 0.00 0.00 41.25 38.91 2jyq s ASN 55 CO 0.27 -0.12 -0.04 -0.69 -2.94 0.00 0.00 177.10 173.58 2jyq s VAL 56 N -0.93 3.80 -0.49 3.54 1.01 -1.26 -0.72 120.40 125.35 2jyq s VAL 56 Ca -0.06 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 2jyq s VAL 56 Cb -0.07 -2.68 0.13 0.00 0.00 0.00 0.00 36.38 33.75 2jyq s VAL 56 CO 0.00 0.47 0.36 -0.54 0.00 0.00 0.00 175.10 175.39 2jyq s LYS 57 N 0.61 2.48 -0.84 2.72 1.02 -0.31 -4.97 119.74 120.44 2jyq s LYS 57 Ca -0.02 -1.86 -0.25 0.00 0.02 0.00 0.00 55.97 53.85 2jyq s LYS 57 Cb -0.14 -3.90 0.03 0.00 -0.52 0.00 0.00 37.83 33.30 2jyq s LYS 57 CO 0.02 -1.19 1.39 -1.01 -0.92 0.00 0.00 175.35 173.65 2jyq s HIS 58 N 1.18 2.33 0.31 3.18 3.76 -1.26 -1.74 115.29 123.04 2jyq s HIS 58 Ca 0.07 -0.28 -0.17 0.00 -0.15 0.00 0.00 55.06 54.53 2jyq s HIS 58 Cb -0.25 -4.61 -0.09 0.00 1.11 0.00 0.00 32.58 28.74 2jyq s HIS 58 CO -0.02 -2.03 0.77 0.71 -0.85 0.00 0.00 174.74 173.32 2jyq s TYR 59 N 5.77 3.45 -0.19 1.40 2.02 -0.85 -4.95 117.35 124.00 2jyq s TYR 59 Ca 0.42 1.34 -0.02 0.00 -0.37 0.00 0.00 57.07 58.43 2jyq s TYR 59 Cb -0.05 -2.61 -0.00 0.00 -0.40 0.00 0.00 41.96 38.89 2jyq s TYR 59 CO 0.06 0.14 -0.10 0.15 -1.57 0.00 0.00 175.55 174.23 2jyq s LYS 60 N -2.70 3.29 -0.82 -0.62 1.02 -1.26 -0.87 119.74 117.78 2jyq s LYS 60 Ca 0.52 -0.69 -0.20 0.00 0.02 0.00 0.00 55.97 55.62 2jyq s LYS 60 Cb -0.12 -2.83 0.11 0.00 -0.52 0.00 0.00 37.83 34.47 2jyq s LYS 60 CO 0.18 -0.12 1.04 0.42 -0.92 0.00 0.00 175.35 175.96 2jyq s ILE 61 N 1.20 4.61 0.24 2.17 1.01 0.32 -4.44 121.20 126.31 2jyq s ILE 61 Ca 0.02 -1.15 -0.00 0.00 0.00 0.00 0.00 60.65 59.51 2jyq s ILE 61 Cb -0.14 -4.73 -0.04 0.00 0.01 0.00 0.00 42.46 37.56 2jyq s ILE 61 CO -0.04 -1.46 0.44 -0.60 0.00 0.00 0.00 174.94 173.28 2jyq s ARG 62 N 3.12 3.51 0.41 2.79 3.52 -1.01 -2.03 118.95 129.26 2jyq s ARG 62 Ca 0.28 -0.35 -0.24 0.00 -0.13 0.00 0.00 55.73 55.29 2jyq s ARG 62 Cb -0.10 -2.79 -0.09 0.00 -1.56 0.00 0.00 34.95 30.41 2jyq s ARG 62 CO -0.02 0.33 1.06 0.15 -0.81 0.00 0.00 175.30 176.01 2jyq s LYS 63 N -3.63 4.11 0.09 5.12 1.02 -1.26 -2.87 119.74 122.32 2jyq s LYS 63 Ca 0.39 1.54 -0.34 0.00 0.02 0.00 0.00 55.97 57.58 2jyq s LYS 63 Cb -0.10 -2.52 -0.16 0.00 -0.52 0.00 0.00 37.83 34.53 2jyq s LYS 63 CO 0.31 -0.19 1.53 1.25 -0.92 0.00 0.00 175.35 177.32 2jyq h LEU 64 N 2.43 -1.40 0.00 3.17 6.46 -0.36 -3.46 115.31 122.15 2jyq h LEU 64 Ca -0.48 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.40 2jyq h LEU 64 Cb 1.22 0.48 0.00 0.00 -0.73 0.00 0.00 40.66 41.63 2jyq h LEU 64 CO 0.62 -0.61 0.00 -0.67 -0.62 0.00 0.00 178.44 177.16 2jyq n ASP 65 N -5.38 0.00 0.06 1.25 2.03 -1.26 -5.01 116.55 108.24 2jyq n ASP 65 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 2jyq n ASP 65 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 2jyq n ASP 65 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2jyq n SER 66 N 0.00 0.59 -2.74 1.67 2.88 -1.26 -5.05 113.62 109.71 2jyq n SER 66 Ca 0.00 0.18 -0.08 0.00 -1.33 0.00 0.00 58.87 57.64 2jyq n SER 66 Cb 0.00 -0.10 0.06 0.00 -0.75 0.00 0.00 64.21 63.42 2jyq n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jyq n GLY 67 N 2.96 0.01 3.27 0.46 0.00 -1.26 -5.12 105.19 105.52 2jyq n GLY 67 Ca 0.00 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2jyq n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jyq s GLY 68 N -1.48 -0.28 -0.13 -0.02 0.00 -1.26 -4.81 107.32 99.34 2jyq s GLY 68 Ca 0.29 1.02 -0.02 0.00 0.00 0.00 0.00 44.72 46.01 2jyq s GLY 68 CO -0.19 0.86 -0.04 -1.36 0.00 0.00 0.00 173.10 172.37 2jyq s PHE 69 N 0.07 3.02 -0.02 1.90 0.08 0.14 0.46 117.98 123.63 2jyq s PHE 69 Ca -0.01 -0.19 -0.12 0.00 0.12 0.00 0.00 56.93 56.73 2jyq s PHE 69 Cb -0.03 -1.89 0.02 0.00 -0.57 0.00 0.00 43.02 40.55 2jyq s PHE 69 CO 0.01 0.09 0.26 1.52 -0.10 0.00 0.00 175.22 177.00 2jyq s TYR 70 N -0.02 -0.13 -0.11 0.36 -0.85 -1.14 -0.38 117.35 115.08 2jyq s TYR 70 Ca 0.01 0.20 0.22 0.00 -0.52 0.00 0.00 57.07 56.97 2jyq s TYR 70 Cb -0.13 0.06 -0.21 0.00 0.38 0.00 0.00 41.96 42.06 2jyq s TYR 70 CO 0.03 -0.34 0.67 -0.89 -1.52 0.00 0.00 175.55 173.50 2jyq n ILE 71 N 1.47 0.36 -3.78 -3.49 5.41 -1.26 -2.42 119.36 115.65 2jyq n ILE 71 Ca -0.21 -0.55 -0.13 0.00 1.00 0.00 0.00 62.75 62.86 2jyq n ILE 71 Cb 0.56 -0.19 -0.09 0.00 -0.71 0.00 0.00 39.64 39.21 2jyq n ILE 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2jyq s THR 72 N -3.38 0.05 -0.67 1.39 -1.32 -1.26 -4.68 115.64 105.77 2jyq s THR 72 Ca -0.05 -0.40 -0.06 0.00 -1.21 0.00 0.00 61.69 59.96 2jyq s THR 72 Cb 0.12 -0.55 -0.14 0.00 -1.51 0.00 0.00 72.50 70.42 2jyq s THR 72 CO 0.86 -0.22 2.80 -1.20 -2.21 0.00 0.00 174.62 174.65 2jyq n SER 73 N 1.66 5.69 0.00 8.08 7.64 -1.26 -3.07 113.62 132.36 2jyq n SER 73 Ca -0.20 -2.38 0.00 0.00 1.01 0.00 0.00 58.87 57.31 2jyq n SER 73 Cb 0.56 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 2jyq n SER 73 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2jyq n ARG 74 N 3.24 0.13 -4.02 1.43 1.85 -1.26 -5.07 116.66 112.97 2jyq n ARG 74 Ca 0.50 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 57.06 2jyq n ARG 74 Cb 0.46 -0.54 -0.17 0.00 -1.05 0.00 0.00 32.46 31.16 2jyq n ARG 74 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2jyq s THR 75 N -1.08 1.41 -0.07 8.89 2.01 -1.18 -5.12 115.64 120.50 2jyq s THR 75 Ca 0.00 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.50 2jyq s THR 75 Cb 0.00 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 2jyq s THR 75 CO 0.00 0.43 -0.15 -1.10 -0.69 0.00 0.00 174.62 173.11 2jyq s GLN 76 N 1.51 2.75 0.16 4.92 1.11 -1.26 -4.47 119.66 124.37 2jyq s GLN 76 Ca 0.04 -0.72 0.09 0.00 0.01 0.00 0.00 55.36 54.78 2jyq s GLN 76 Cb -0.13 -2.42 -0.04 0.00 -1.01 0.00 0.00 33.01 29.41 2jyq s GLN 76 CO -0.09 0.48 -0.20 -0.06 0.01 0.00 0.00 175.29 175.43 2jyq s PHE 77 N -0.37 1.91 -0.23 0.91 0.08 0.49 -4.88 117.98 115.89 2jyq s PHE 77 Ca 0.04 -0.44 0.22 0.00 0.12 0.00 0.00 56.93 56.88 2jyq s PHE 77 Cb -0.12 -0.97 -0.06 0.00 -0.57 0.00 0.00 43.02 41.30 2jyq s PHE 77 CO 0.02 0.33 0.93 0.43 -0.10 0.00 0.00 175.22 176.83 2jyq n SER 78 N 0.47 0.64 -4.12 1.36 7.64 -1.26 0.25 113.62 118.61 2jyq n SER 78 Ca -0.15 0.21 -0.19 0.00 1.01 0.00 0.00 58.87 59.75 2jyq n SER 78 Cb 0.56 0.80 -0.13 0.00 -1.01 0.00 0.00 64.21 64.43 2jyq n SER 78 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jyq s SER 79 N -5.03 1.49 0.44 6.43 1.04 -1.26 -4.86 113.70 111.95 2jyq s SER 79 Ca -0.02 -0.44 0.24 0.00 0.48 0.00 0.00 55.95 56.22 2jyq s SER 79 Cb 0.11 -0.09 0.66 0.00 0.10 0.00 0.00 66.02 66.80 2jyq s SER 79 CO 0.81 0.01 1.71 -0.07 0.98 0.00 0.00 173.24 176.69 2jyq h LEU 80 N 4.98 0.00 -0.55 2.42 3.38 -1.99 -2.52 115.31 121.02 2jyq h LEU 80 Ca -0.37 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 2jyq h LEU 80 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2jyq h LEU 80 CO 0.44 0.14 0.22 -0.61 0.09 0.00 0.00 178.44 178.72 2jyq h GLN 81 N 0.00 0.83 0.00 1.13 5.75 -2.01 -2.33 115.11 118.49 2jyq h GLN 81 Ca -0.00 -0.15 -0.10 0.00 -0.15 0.00 0.00 58.65 58.25 2jyq h GLN 81 Cb 0.90 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 2jyq h GLN 81 CO 0.02 0.72 -0.47 1.96 -2.65 0.00 0.00 178.83 178.41 2jyq h GLN 82 N 0.76 0.00 0.59 1.69 1.08 -1.95 -2.76 115.11 114.51 2jyq h GLN 82 Ca 0.18 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 2jyq h GLN 82 Cb 0.20 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2jyq h GLN 82 CO -0.01 0.47 -0.36 1.25 -0.95 0.00 0.00 178.83 179.23 2jyq h LEU 83 N 0.00 -0.91 -0.58 1.46 7.12 -1.01 -0.85 115.31 120.54 2jyq h LEU 83 Ca -0.00 0.05 -0.04 0.00 0.13 0.00 0.00 57.88 58.02 2jyq h LEU 83 Cb 1.02 0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 41.39 2jyq h LEU 83 CO 0.06 -0.55 0.20 -0.37 -0.13 0.00 0.00 178.44 177.65 2jyq h VAL 84 N -0.89 1.23 -0.77 1.05 -1.51 -1.49 -0.20 116.25 113.68 2jyq h VAL 84 Ca -0.08 -0.76 0.01 0.00 -1.23 0.00 0.00 66.70 64.65 2jyq h VAL 84 Cb 0.71 0.65 -0.04 0.00 -2.13 0.00 0.00 31.29 30.47 2jyq h VAL 84 CO 0.08 0.29 0.50 0.00 -1.23 0.00 0.00 177.57 177.21 2jyq h ALA 85 N 1.06 0.98 -0.00 5.19 0.00 -1.51 -1.66 119.26 123.32 2jyq h ALA 85 Ca 0.19 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 2jyq h ALA 85 Cb 0.24 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 17.75 2jyq h ALA 85 CO -0.01 0.36 -0.82 -0.92 0.00 0.00 0.00 179.25 177.87 2jyq h TYR 86 N 1.02 0.82 0.00 0.00 3.20 -0.90 -3.17 116.97 117.94 2jyq h TYR 86 Ca 0.29 -0.45 0.00 0.00 3.14 0.00 0.00 58.73 61.71 2jyq h TYR 86 Cb -0.09 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.09 2jyq h TYR 86 CO -0.02 1.28 0.00 0.66 -1.64 0.00 0.00 178.16 178.43 2jyq n TYR 87 N -4.04 0.00 0.05 -3.82 4.02 -0.11 -0.10 117.16 113.16 2jyq n TYR 87 Ca -0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.71 2jyq n TYR 87 Cb 0.77 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.97 2jyq n TYR 87 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2jyq h SER 88 N 0.00 0.02 0.05 7.72 0.87 -1.27 -2.07 113.55 118.88 2jyq h SER 88 Ca 0.00 -0.03 -0.38 0.00 -1.23 0.00 0.00 61.79 60.15 2jyq h SER 88 Cb 0.00 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 61.90 2jyq h SER 88 CO 0.00 1.02 -2.28 1.17 -0.53 0.00 0.00 176.83 176.21 2jyq n LYS 89 N -3.33 0.69 -3.80 2.24 4.81 -0.34 -4.37 118.16 114.07 2jyq n LYS 89 Ca -0.02 0.20 -0.37 0.00 -0.87 0.00 0.00 58.31 57.25 2jyq n LYS 89 Cb 0.95 -1.60 -0.13 0.00 0.02 0.00 0.00 35.03 34.28 2jyq n LYS 89 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2jyq s HIS 90 N -2.54 3.18 0.31 5.64 3.76 0.85 -4.95 115.29 121.54 2jyq s HIS 90 Ca -0.30 -1.26 0.01 0.00 -0.15 0.00 0.00 55.06 53.36 2jyq s HIS 90 Cb 0.08 -2.22 0.51 0.00 1.11 0.00 0.00 32.58 32.06 2jyq s HIS 90 CO 0.67 -0.66 1.89 0.00 -0.85 0.00 0.00 174.74 175.79 2jyq h ALA 91 N 8.18 1.35 -0.04 -1.40 0.00 -1.86 -3.34 119.26 122.15 2jyq h ALA 91 Ca -0.28 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2jyq h ALA 91 Cb 1.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2jyq h ALA 91 CO 0.59 0.48 0.00 -3.47 0.00 0.00 0.00 179.25 176.86 2jyq n ASP 92 N -4.33 0.00 0.00 0.00 2.03 -1.26 -1.51 116.55 111.49 2jyq n ASP 92 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2jyq n ASP 92 Cb 0.17 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 2jyq n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jyq n GLY 93 N 0.00 0.00 0.37 0.27 0.00 -1.26 -4.80 105.19 99.77 2jyq n GLY 93 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2jyq n GLY 93 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jyq h LEU 94 N 0.00 1.13 0.00 0.99 4.07 -1.65 -3.46 115.31 116.39 2jyq h LEU 94 Ca 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.89 2jyq h LEU 94 Cb 0.44 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.89 2jyq h LEU 94 CO 0.00 0.87 0.00 0.00 -1.08 0.00 0.00 178.44 178.23 2jyq s HIS 96 N -0.50 3.34 0.31 0.00 3.76 -1.26 -4.85 115.29 116.09 2jyq s HIS 96 Ca 0.00 0.42 -0.28 0.00 -0.15 0.00 0.00 55.06 55.05 2jyq s HIS 96 Cb 0.00 -2.41 -0.09 0.00 1.11 0.00 0.00 32.58 31.18 2jyq s HIS 96 CO 0.00 0.00 1.08 1.03 -0.85 0.00 0.00 174.74 176.00 2jyq s ARG 97 N 1.26 4.51 -0.72 1.40 3.00 -1.26 -4.82 118.95 122.33 2jyq s ARG 97 Ca 0.13 1.71 -0.26 0.00 0.00 0.00 0.00 55.73 57.32 2jyq s ARG 97 Cb -0.14 -3.01 -0.06 0.00 0.00 0.00 0.00 34.95 31.73 2jyq s ARG 97 CO 0.07 0.12 2.10 -0.51 0.00 0.00 0.00 175.30 177.08 2jyq s LEU 98 N -1.77 3.19 -0.09 2.53 1.43 -0.78 -4.63 118.68 118.56 2jyq s LEU 98 Ca 0.48 0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.61 2jyq s LEU 98 Cb -0.29 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 2jyq s LEU 98 CO 0.37 -2.89 -0.13 0.41 0.23 0.00 0.00 176.35 174.34 2jyq n THR 99 N 7.88 0.89 -4.26 5.49 -1.04 -0.61 -4.41 114.28 118.21 2jyq n THR 99 Ca 0.35 0.32 -0.14 0.00 -2.04 0.00 0.00 64.05 62.53 2jyq n THR 99 Cb 0.49 -2.05 -0.10 0.00 -1.82 0.00 0.00 70.33 66.85 2jyq n THR 99 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2jyq s ASN 100 N -4.93 1.49 -0.01 8.00 2.20 -0.91 -5.03 114.94 115.75 2jyq s ASN 100 Ca -0.11 -1.14 -0.02 0.00 -0.94 0.00 0.00 52.86 50.66 2jyq s ASN 100 Cb 0.01 0.06 -0.04 0.00 -2.00 0.00 0.00 41.25 39.29 2jyq s ASN 100 CO 0.16 -0.49 0.13 -0.69 -2.94 0.00 0.00 177.10 173.26 2jyq s VAL 101 N -3.52 5.07 0.31 3.54 1.01 -1.26 -0.54 120.40 125.01 2jyq s VAL 101 Ca 0.22 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 2jyq s VAL 101 Cb 0.05 -3.34 -0.12 0.00 0.00 0.00 0.00 36.38 32.97 2jyq s VAL 101 CO 0.04 0.34 1.46 0.00 0.00 0.00 0.00 175.10 176.94 2jyq s PRO 103 N -1.17 0.21 0.51 0.00 0.02 -1.26 -5.01 135.00 128.30 2jyq s PRO 103 Ca 0.60 -0.20 -0.02 0.00 0.02 0.00 0.00 61.00 61.41 2jyq s PRO 103 Cb -0.54 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.21 2jyq s PRO 103 CO 0.55 -2.73 0.76 0.95 -0.33 0.00 0.00 177.00 176.20 2jyq s THR 104 N -3.54 3.82 0.27 0.99 -4.23 -1.26 -5.01 115.64 106.69 2jyq s THR 104 Ca 0.71 -0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 60.79 2jyq s THR 104 Cb -0.07 -3.45 -0.08 0.00 1.34 0.00 0.00 72.50 70.24 2jyq s THR 104 CO 0.54 -0.37 0.63 -0.55 -0.54 0.00 0.00 174.62 174.32 2jyq s SER 105 N -4.26 6.67 0.00 3.99 0.15 -1.26 -5.10 113.70 113.89 2jyq s SER 105 Ca 0.51 1.05 0.26 0.00 0.70 0.00 0.00 55.95 58.46 2jyq s SER 105 Cb -0.10 -2.28 0.52 0.00 -1.71 0.00 0.00 66.02 62.45 2jyq s SER 105 CO 0.41 -0.14 1.44 2.29 1.20 0.00 0.00 173.24 178.44