#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyq s ALA 2 N 0.00 -1.20 0.48 1.69 0.00 -1.26 -5.14 121.76 116.32 2jyq s ALA 2 Ca 0.00 1.52 -0.23 0.00 0.00 0.00 0.00 51.96 53.25 2jyq s ALA 2 Cb 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 23.12 22.15 2jyq s ALA 2 CO 0.00 -0.25 1.19 -1.21 0.00 0.00 0.00 175.76 175.48 2jyq s GLU 3 N 0.80 3.65 0.20 0.00 0.41 -1.26 -4.92 118.70 117.59 2jyq s GLU 3 Ca -0.04 1.82 -0.14 0.00 -0.41 0.00 0.00 54.97 56.19 2jyq s GLU 3 Cb -0.05 -2.36 0.21 0.00 -1.78 0.00 0.00 34.13 30.15 2jyq s GLU 3 CO -0.06 -0.65 1.63 0.93 -0.49 0.00 0.00 175.26 176.62 2jyq h GLU 4 N 1.92 -0.01 0.02 1.61 4.39 -2.03 -1.67 114.58 118.81 2jyq h GLU 4 Ca -0.50 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.00 2jyq h GLU 4 Cb 1.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 2jyq h GLU 4 CO 0.60 -0.00 -0.94 0.11 -1.16 0.00 0.00 179.01 177.61 2jyq h TRP 5 N -0.01 0.13 -3.29 4.33 5.08 -1.94 -3.43 115.95 116.82 2jyq h TRP 5 Ca 0.28 -0.08 -0.65 0.00 1.08 0.00 0.00 58.89 59.52 2jyq h TRP 5 Cb 0.44 -0.01 -0.16 0.00 -3.00 0.00 0.00 29.16 26.43 2jyq h TRP 5 CO -0.49 0.97 0.24 -0.47 -1.28 0.00 0.00 178.44 177.40 2jyq s TYR 6 N -2.95 2.96 -1.17 0.12 5.04 -0.63 -0.95 117.35 119.76 2jyq s TYR 6 Ca -0.01 -0.28 0.13 0.00 -2.44 0.00 0.00 57.07 54.48 2jyq s TYR 6 Cb 0.10 -3.69 0.55 0.00 0.35 0.00 0.00 41.96 39.26 2jyq s TYR 6 CO 0.82 -1.12 1.41 1.19 -1.34 0.00 0.00 175.55 176.51 2jyq n PHE 7 N 6.63 1.16 -0.40 4.97 3.01 -0.90 -4.08 117.46 127.84 2jyq n PHE 7 Ca -0.03 -0.45 0.00 0.00 1.01 0.00 0.00 57.45 57.98 2jyq n PHE 7 Cb 0.46 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 2jyq n PHE 7 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jyq n GLY 8 N 0.88 0.35 3.04 1.37 0.00 -1.26 -4.62 105.19 104.95 2jyq n GLY 8 Ca 0.19 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 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 2.33 0.10 1.61 0.00 -1.26 0.45 119.74 122.97 2jyq s LYS 9 Ca 0.00 -0.90 0.04 0.00 0.00 0.00 0.00 55.97 55.12 2jyq s LYS 9 Cb 0.00 -2.50 -0.03 0.00 0.00 0.00 0.00 37.83 35.30 2jyq s LYS 9 CO 0.00 -0.38 -0.12 0.96 0.00 0.00 0.00 175.35 175.82 2jyq s ILE 10 N 1.33 1.05 0.66 3.79 -4.36 -1.26 -4.94 121.20 117.47 2jyq s ILE 10 Ca -0.00 -1.58 0.06 0.00 -0.26 0.00 0.00 60.65 58.86 2jyq s ILE 10 Cb -0.16 -1.32 0.12 0.00 1.25 0.00 0.00 42.46 42.35 2jyq s ILE 10 CO -0.09 -0.46 0.91 0.42 0.24 0.00 0.00 174.94 175.96 2jyq s THR 11 N -2.13 2.01 0.48 8.37 -4.23 -1.26 -4.84 115.64 114.04 2jyq s THR 11 Ca 0.04 -0.85 0.21 0.00 -1.18 0.00 0.00 61.69 59.92 2jyq s THR 11 Cb -0.05 -2.17 0.38 0.00 1.34 0.00 0.00 72.50 72.00 2jyq s THR 11 CO 0.01 0.00 1.96 0.08 -0.54 0.00 0.00 174.62 176.13 2jyq h ARG 12 N -0.18 0.20 0.17 3.99 0.11 -2.02 -0.33 114.38 116.31 2jyq h ARG 12 Ca -0.31 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.76 2jyq h ARG 12 Cb 1.28 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.31 2jyq h ARG 12 CO 0.39 0.13 -0.09 -0.09 0.10 0.00 0.00 179.97 180.41 2jyq h ARG 13 N 0.20 -0.23 -0.09 0.08 2.43 -1.98 0.14 114.38 114.94 2jyq h ARG 13 Ca 0.31 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.41 2jyq h ARG 13 Cb 0.94 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2jyq h ARG 13 CO -0.06 -0.16 -0.29 0.93 -1.51 0.00 0.00 179.97 178.88 2jyq h GLU 14 N -0.24 0.35 0.31 0.20 3.07 -1.76 -2.75 114.58 113.76 2jyq h GLU 14 Ca -0.02 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.36 58.56 2jyq h GLU 14 Cb 0.19 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2jyq h GLU 14 CO 0.03 0.89 -0.15 1.03 -1.40 0.00 0.00 179.01 179.40 2jyq h SER 15 N -0.12 -0.37 0.09 1.42 0.87 -1.03 -2.95 113.55 111.47 2jyq h SER 15 Ca -0.01 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jyq h SER 15 Cb 0.92 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2jyq h SER 15 CO 0.06 -0.26 -0.02 -0.33 -0.53 0.00 0.00 176.83 175.76 2jyq h GLU 16 N -0.42 0.00 -0.64 2.24 3.07 -1.12 -1.61 114.58 116.10 2jyq h GLU 16 Ca -0.04 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 2jyq h GLU 16 Cb 0.33 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 2jyq h GLU 16 CO 0.07 0.02 0.29 -0.09 -1.40 0.00 0.00 179.01 177.89 2jyq h ARG 17 N 0.00 0.93 0.24 2.33 1.12 -1.32 0.72 114.38 118.39 2jyq h ARG 17 Ca -0.00 -0.15 -0.34 0.00 -1.11 0.00 0.00 59.98 58.39 2jyq h ARG 17 Cb 0.07 -0.16 0.03 0.00 -0.01 0.00 0.00 29.97 29.90 2jyq h ARG 17 CO 0.00 0.75 -1.51 -0.07 -3.11 0.00 0.00 179.97 176.03 2jyq h LEU 18 N 0.88 0.79 0.09 3.80 3.38 -1.17 -3.32 115.31 119.76 2jyq h LEU 18 Ca 0.22 -0.88 -0.27 0.00 0.09 0.00 0.00 57.88 57.03 2jyq h LEU 18 Cb 0.15 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.65 2jyq h LEU 18 CO -0.02 1.70 -1.21 -0.07 0.09 0.00 0.00 178.44 178.92 2jyq h LEU 19 N 0.14 0.45 -0.85 1.67 3.38 -1.32 -3.00 115.31 115.79 2jyq h LEU 19 Ca -0.26 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.24 2jyq h LEU 19 Cb 2.15 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.76 2jyq h LEU 19 CO 0.26 1.35 0.00 0.18 0.09 0.00 0.00 178.44 180.32 2jyq n LEU 20 N -3.57 1.11 -4.48 1.67 7.99 0.24 -4.64 117.00 115.33 2jyq n LEU 20 Ca -0.09 -0.56 -0.43 0.00 -0.01 0.00 0.00 56.01 54.92 2jyq n LEU 20 Cb 1.00 -0.27 -0.06 0.00 -0.11 0.00 0.00 43.42 43.98 2jyq n LEU 20 CO 0.54 0.22 0.38 0.21 -1.51 0.00 0.00 177.39 177.23 2jyq s ASN 21 N -0.63 6.26 0.00 -1.43 2.47 -1.13 -4.96 114.94 115.51 2jyq s ASN 21 Ca 0.08 -0.66 -0.03 0.00 0.42 0.00 0.00 52.86 52.67 2jyq s ASN 21 Cb 0.05 -2.31 -0.16 0.00 -1.45 0.00 0.00 41.25 37.39 2jyq s ASN 21 CO 0.04 -0.87 2.38 -0.81 -3.72 0.00 0.00 177.10 174.12 2jyq n PRO 22 N 6.30 1.21 -0.00 0.43 -0.04 -1.26 -3.28 135.00 138.36 2jyq n PRO 22 Ca -0.04 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 2jyq n PRO 22 Cb 0.46 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2jyq n PRO 22 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2jyq n GLU 23 N 2.60 0.92 -4.13 0.54 0.28 -1.26 -5.03 120.64 114.55 2jyq n GLU 23 Ca 0.25 -1.00 -0.33 0.00 -0.16 0.00 0.00 57.16 55.92 2jyq n GLU 23 Cb 0.56 -1.01 -0.07 0.00 1.43 0.00 0.00 31.44 32.35 2jyq n GLU 23 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2jyq s ASN 24 N -0.49 5.64 0.70 -1.84 2.20 -1.21 -5.12 114.94 114.82 2jyq s ASN 24 Ca 0.01 0.16 -0.07 0.00 -0.94 0.00 0.00 52.86 52.01 2jyq s ASN 24 Cb 0.00 -1.62 0.05 0.00 -2.00 0.00 0.00 41.25 37.68 2jyq s ASN 24 CO 0.01 0.30 1.02 -2.16 -2.94 0.00 0.00 177.10 173.32 2jyq s PRO 25 N -1.56 2.34 0.15 3.55 0.04 -1.26 -4.94 135.00 133.33 2jyq s PRO 25 Ca 0.21 -0.12 -0.31 0.00 0.04 0.00 0.00 61.00 60.81 2jyq s PRO 25 Cb -0.12 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 2jyq s PRO 25 CO 0.11 -1.17 1.60 1.03 0.04 0.00 0.00 177.00 178.61 2jyq s ARG 26 N -5.25 4.20 0.00 4.56 0.52 -1.26 -2.65 118.95 119.08 2jyq s ARG 26 Ca 0.59 2.38 0.00 0.00 -0.52 0.00 0.00 55.73 58.18 2jyq s ARG 26 Cb -0.11 -3.22 0.00 0.00 0.52 0.00 0.00 34.95 32.14 2jyq s ARG 26 CO 0.46 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.55 2jyq n GLY 27 N 3.82 0.91 3.60 -3.53 0.00 -1.13 -4.82 105.19 104.03 2jyq n GLY 27 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 3.71 0.22 2.61 2.01 -1.08 -1.91 115.64 119.19 2jyq s THR 28 Ca 0.00 0.71 0.07 0.00 0.31 0.00 0.00 61.69 62.78 2jyq s THR 28 Cb 0.00 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 2jyq s THR 28 CO 0.00 -0.67 -0.12 0.72 -0.69 0.00 0.00 174.62 173.86 2jyq s PHE 29 N 6.17 1.73 -0.19 4.92 -0.71 -0.26 0.39 117.98 130.03 2jyq s PHE 29 Ca 0.68 -0.63 -0.27 0.00 -1.04 0.00 0.00 56.93 55.67 2jyq s PHE 29 Cb -0.17 -0.86 0.07 0.00 -1.21 0.00 0.00 43.02 40.86 2jyq s PHE 29 CO 0.32 0.31 0.73 -0.48 -1.34 0.00 0.00 175.22 174.76 2jyq s LEU 30 N -3.34 -0.70 -0.22 -1.99 2.34 -0.80 -0.46 118.68 113.52 2jyq s LEU 30 Ca 0.24 1.15 -0.06 0.00 0.06 0.00 0.00 54.13 55.52 2jyq s LEU 30 Cb 0.01 2.45 -0.02 0.00 -0.56 0.00 0.00 46.19 48.06 2jyq s LEU 30 CO 0.08 -0.37 0.03 0.54 -1.06 0.00 0.00 176.35 175.56 2jyq s VAL 31 N -0.20 4.06 -0.00 1.48 0.11 -0.13 -0.87 120.40 124.85 2jyq s VAL 31 Ca -0.04 -0.27 0.07 0.00 -2.93 0.00 0.00 61.98 58.81 2jyq s VAL 31 Cb -0.03 -2.87 -0.03 0.00 -1.53 0.00 0.00 36.38 31.93 2jyq s VAL 31 CO 0.04 0.39 -0.20 0.00 -3.33 0.00 0.00 175.10 171.99 2jyq s ARG 32 N 1.32 2.17 -0.20 1.54 1.70 -0.40 -2.13 118.95 122.95 2jyq s ARG 32 Ca 0.04 -0.90 -0.27 0.00 -0.47 0.00 0.00 55.73 54.13 2jyq s ARG 32 Cb -0.15 -2.17 -0.00 0.00 -0.57 0.00 0.00 34.95 32.06 2jyq s ARG 32 CO 0.02 0.57 0.95 -2.00 -1.08 0.00 0.00 175.30 173.75 2jyq s GLU 33 N -0.97 4.27 -0.37 3.89 2.12 0.17 -0.36 118.70 127.45 2jyq s GLU 33 Ca 0.12 1.21 -0.29 0.00 0.36 0.00 0.00 54.97 56.37 2jyq s GLU 33 Cb -0.10 -3.61 0.01 0.00 0.26 0.00 0.00 34.13 30.69 2jyq s GLU 33 CO 0.02 -0.50 1.24 -1.12 -0.54 0.00 0.00 175.26 174.35 2jyq s SER 34 N 1.21 6.65 0.00 -1.70 0.01 -1.21 -4.12 113.70 114.54 2jyq s SER 34 Ca 0.42 0.92 0.16 0.00 1.31 0.00 0.00 55.95 58.76 2jyq s SER 34 Cb -0.16 -2.54 0.87 0.00 0.21 0.00 0.00 66.02 64.40 2jyq s SER 34 CO 0.09 -1.15 1.44 -1.84 0.41 0.00 0.00 173.24 172.19 2jyq n GLU 35 N 7.50 0.33 -0.27 12.44 0.28 -1.26 -1.79 120.64 137.86 2jyq n GLU 35 Ca 0.14 0.09 0.10 0.00 -0.16 0.00 0.00 57.16 57.33 2jyq n GLU 35 Cb 0.48 -1.50 0.26 0.00 1.43 0.00 0.00 31.44 32.11 2jyq n GLU 35 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2jyq n THR 36 N -1.19 0.72 -4.02 3.84 5.66 -1.26 -4.93 114.28 113.10 2jyq n THR 36 Ca 0.09 -0.75 -0.09 0.00 -3.05 0.00 0.00 64.05 60.25 2jyq n THR 36 Cb 0.10 0.44 -0.06 0.00 -1.55 0.00 0.00 70.33 69.27 2jyq n THR 36 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2jyq s THR 37 N -1.28 0.00 -0.17 1.09 -1.32 -0.74 -5.06 115.64 108.16 2jyq s THR 37 Ca 0.39 -1.48 0.14 0.00 -1.21 0.00 0.00 61.69 59.52 2jyq s THR 37 Cb 0.20 -2.22 0.42 0.00 -1.51 0.00 0.00 72.50 69.39 2jyq s THR 37 CO 0.27 -0.01 1.21 2.29 -2.21 0.00 0.00 174.62 176.17 2jyq n LYS 38 N -0.36 1.31 0.00 7.08 2.85 -1.26 -4.77 118.16 123.01 2jyq n LYS 38 Ca -0.01 -3.08 0.00 0.00 -1.05 0.00 0.00 58.31 54.17 2jyq n LYS 38 Cb 0.62 -1.33 0.00 0.00 -0.65 0.00 0.00 35.03 33.68 2jyq n LYS 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jyq n GLY 39 N -0.82 0.00 2.92 2.58 0.00 -1.26 -5.05 105.19 103.56 2jyq n GLY 39 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -1.24 0.22 4.61 0.00 -1.26 -2.45 121.76 121.64 2jyq s ALA 40 Ca 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 51.96 52.21 2jyq s ALA 40 Cb 0.00 -2.05 -0.07 0.00 0.00 0.00 0.00 23.12 21.00 2jyq s ALA 40 CO 0.00 -1.69 0.55 0.71 0.00 0.00 0.00 175.76 175.33 2jyq s TYR 41 N 2.56 3.45 -0.38 0.00 1.51 0.76 -3.32 117.35 121.92 2jyq s TYR 41 Ca 0.10 0.90 -0.07 0.00 -1.01 0.00 0.00 57.07 56.99 2jyq s TYR 41 Cb -0.13 -2.28 0.07 0.00 -0.11 0.00 0.00 41.96 39.51 2jyq s TYR 41 CO -0.28 0.29 0.18 0.00 -1.11 0.00 0.00 175.55 174.63 2jyq s LEU 43 N 1.37 4.25 -0.49 0.00 1.98 0.51 -1.27 118.68 125.04 2jyq s LEU 43 Ca 0.02 -1.90 -0.25 0.00 -2.89 0.00 0.00 54.13 49.10 2jyq s LEU 43 Cb -0.21 -2.49 0.03 0.00 0.66 0.00 0.00 46.19 44.17 2jyq s LEU 43 CO 0.01 -1.24 0.93 -0.44 -1.89 0.00 0.00 176.35 173.72 2jyq s SER 44 N 4.22 6.45 -0.20 3.68 0.01 -0.05 -0.93 113.70 126.87 2jyq s SER 44 Ca 0.41 -0.03 -0.05 0.00 1.31 0.00 0.00 55.95 57.59 2jyq s SER 44 Cb -0.02 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 2jyq s SER 44 CO -0.07 -1.10 0.01 0.54 0.41 0.00 0.00 173.24 173.03 2jyq s VAL 45 N 3.81 4.06 0.00 3.43 0.11 -0.39 -1.90 120.40 129.52 2jyq s VAL 45 Ca 0.35 -0.28 -0.30 0.00 -2.93 0.00 0.00 61.98 58.82 2jyq s VAL 45 Cb -0.11 -2.84 -0.03 0.00 -1.53 0.00 0.00 36.38 31.87 2jyq s VAL 45 CO 0.24 0.42 1.00 -0.55 -3.33 0.00 0.00 175.10 172.89 2jyq s SER 46 N 1.02 7.33 -0.12 3.54 0.15 0.16 -0.13 113.70 125.65 2jyq s SER 46 Ca 0.02 1.69 -0.02 0.00 0.70 0.00 0.00 55.95 58.34 2jyq s SER 46 Cb -0.14 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.64 2jyq s SER 46 CO 0.02 -0.29 0.02 -0.62 1.20 0.00 0.00 173.24 173.57 2jyq s ASP 47 N 1.02 2.14 -1.16 5.45 2.15 -0.56 -2.85 116.67 122.86 2jyq s ASP 47 Ca 0.53 -0.40 -0.18 0.00 0.43 0.00 0.00 52.55 52.92 2jyq s ASP 47 Cb -0.22 -0.49 0.10 0.00 -0.30 0.00 0.00 42.92 42.00 2jyq s ASP 47 CO 0.28 -0.24 1.51 0.12 -0.17 0.00 0.00 175.17 176.67 2jyq s PHE 48 N 1.94 2.92 -0.36 -5.34 5.36 -1.26 -0.00 117.98 121.23 2jyq s PHE 48 Ca 0.03 -1.51 -0.29 0.00 -0.96 0.00 0.00 56.93 54.20 2jyq s PHE 48 Cb -0.14 -4.58 -0.01 0.00 -0.34 0.00 0.00 43.02 37.95 2jyq s PHE 48 CO -0.07 -1.71 1.61 -0.51 -1.46 0.00 0.00 175.22 173.09 2jyq s ASP 49 N 4.03 6.12 -1.11 6.13 1.01 0.31 -4.88 116.67 128.29 2jyq s ASP 49 Ca 0.47 1.12 -0.20 0.00 0.71 0.00 0.00 52.55 54.64 2jyq s ASP 49 Cb 0.00 -2.53 -0.06 0.00 1.01 0.00 0.00 42.92 41.34 2jyq s ASP 49 CO -0.01 -1.55 1.97 -3.20 0.21 0.00 0.00 175.17 172.59 2jyq n ASN 50 N 9.50 3.35 0.00 0.27 2.85 -1.26 -0.48 115.26 129.49 2jyq n ASN 50 Ca 0.20 -2.76 0.00 0.00 -0.11 0.00 0.00 54.58 51.91 2jyq n ASN 50 Cb 0.47 -1.48 0.00 0.00 1.24 0.00 0.00 39.78 40.01 2jyq n ASN 50 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jyq n ALA 51 N 8.72 0.00 0.00 5.20 0.00 -1.26 -4.97 120.51 128.20 2jyq n ALA 51 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2jyq n ALA 51 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2jyq n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jyq n LYS 52 N -0.40 1.96 0.00 0.00 5.02 -0.77 -5.15 118.16 118.82 2jyq n LYS 52 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2jyq n LYS 52 Cb 0.00 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 2jyq n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jyq n GLY 53 N 3.01 0.29 3.63 0.72 0.00 0.37 -5.01 105.19 108.20 2jyq n GLY 53 Ca 0.00 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 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 3.88 -0.16 0.99 1.43 -1.26 -0.53 118.68 123.02 2jyq s LEU 54 Ca 0.00 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 2jyq s LEU 54 Cb 0.00 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.71 2jyq s LEU 54 CO 0.00 -1.09 -0.10 0.20 0.23 0.00 0.00 176.35 175.58 2jyq s ASN 55 N 2.88 2.86 -0.53 2.29 0.01 0.99 -4.97 114.94 118.47 2jyq s ASN 55 Ca 0.57 -0.62 -0.22 0.00 -0.71 0.00 0.00 52.86 51.88 2jyq s ASN 55 Cb -0.17 -1.09 0.04 0.00 0.41 0.00 0.00 41.25 40.44 2jyq s ASN 55 CO 0.24 -0.12 0.83 -0.69 -1.51 0.00 0.00 177.10 175.84 2jyq s VAL 56 N 1.52 4.56 -0.65 1.60 1.01 -1.26 -1.49 120.40 125.70 2jyq s VAL 56 Ca 0.02 0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 2jyq s VAL 56 Cb -0.14 -4.44 0.05 0.00 0.00 0.00 0.00 36.38 31.84 2jyq s VAL 56 CO -0.09 -0.97 1.08 -0.54 0.00 0.00 0.00 175.10 174.58 2jyq s LYS 57 N 3.48 3.24 -0.90 2.72 1.02 0.82 -4.84 119.74 125.28 2jyq s LYS 57 Ca 0.26 -0.38 -0.24 0.00 0.02 0.00 0.00 55.97 55.63 2jyq s LYS 57 Cb -0.14 -4.14 0.05 0.00 -0.52 0.00 0.00 37.83 33.07 2jyq s LYS 57 CO 0.17 -1.81 1.35 -1.01 -0.92 0.00 0.00 175.35 173.13 2jyq s HIS 58 N 4.64 2.49 -0.09 3.18 3.76 -1.26 -1.26 115.29 126.75 2jyq s HIS 58 Ca 0.31 -0.59 -0.30 0.00 -0.15 0.00 0.00 55.06 54.33 2jyq s HIS 58 Cb -0.12 -4.63 -0.02 0.00 1.11 0.00 0.00 32.58 28.92 2jyq s HIS 58 CO 0.16 -1.95 1.13 0.71 -0.85 0.00 0.00 174.74 173.95 2jyq s TYR 59 N 5.05 3.28 -0.43 1.40 2.02 -0.11 -4.84 117.35 123.72 2jyq s TYR 59 Ca 0.40 1.33 -0.23 0.00 -0.37 0.00 0.00 57.07 58.21 2jyq s TYR 59 Cb -0.04 -3.35 0.02 0.00 -0.40 0.00 0.00 41.96 38.20 2jyq s TYR 59 CO -0.00 -0.95 0.78 0.15 -1.57 0.00 0.00 175.55 173.96 2jyq s LYS 60 N 2.30 3.48 -0.79 -0.62 -0.14 -1.26 -0.37 119.74 122.34 2jyq s LYS 60 Ca 0.53 -0.02 -0.19 0.00 -1.36 0.00 0.00 55.97 54.92 2jyq s LYS 60 Cb -0.22 -3.91 0.12 0.00 -1.68 0.00 0.00 37.83 32.14 2jyq s LYS 60 CO 0.19 -1.06 0.96 0.42 -0.76 0.00 0.00 175.35 175.10 2jyq s ILE 61 N 3.26 4.76 0.34 2.17 1.01 0.20 -4.45 121.20 128.48 2jyq s ILE 61 Ca 0.30 -1.29 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 2jyq s ILE 61 Cb -0.12 -4.67 -0.04 0.00 0.01 0.00 0.00 42.46 37.64 2jyq s ILE 61 CO 0.22 -1.37 0.59 -0.60 0.00 0.00 0.00 174.94 173.78 2jyq s ARG 62 N 2.71 3.58 0.05 2.79 3.52 -0.90 -0.17 118.95 130.52 2jyq s ARG 62 Ca 0.24 -0.06 -0.04 0.00 -0.13 0.00 0.00 55.73 55.74 2jyq s ARG 62 Cb -0.12 -2.60 -0.05 0.00 -1.56 0.00 0.00 34.95 30.62 2jyq s ARG 62 CO -0.02 0.13 0.27 0.15 -0.81 0.00 0.00 175.30 175.02 2jyq s LYS 63 N -3.97 3.54 -0.12 5.12 1.02 -1.03 -2.27 119.74 122.04 2jyq s LYS 63 Ca 0.43 -0.19 0.01 0.00 0.02 0.00 0.00 55.97 56.25 2jyq s LYS 63 Cb -0.10 -3.02 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 2jyq s LYS 63 CO 0.34 0.60 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.70 2jyq s LEU 64 N -2.16 2.53 0.46 3.17 1.43 0.13 -4.96 118.68 119.28 2jyq s LEU 64 Ca 0.32 -0.39 0.26 0.00 -1.03 0.00 0.00 54.13 53.29 2jyq s LEU 64 Cb -0.13 -1.55 0.92 0.00 0.03 0.00 0.00 46.19 45.47 2jyq s LEU 64 CO 0.21 0.17 1.82 -2.24 0.23 0.00 0.00 176.35 176.55 2jyq h ASP 65 N 6.63 0.00 -0.36 2.29 2.03 -1.99 -2.73 116.42 122.29 2jyq h ASP 65 Ca -0.25 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 55.85 2jyq h ASP 65 Cb 1.22 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.59 2jyq h ASP 65 CO 0.53 0.16 -0.16 -1.54 -1.03 0.00 0.00 179.24 177.20 2jyq n SER 66 N -3.27 2.67 0.00 4.15 3.41 -1.26 -4.91 113.62 114.40 2jyq n SER 66 Ca 0.01 -3.81 0.00 0.00 -0.26 0.00 0.00 58.87 54.80 2jyq n SER 66 Cb 0.43 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2jyq n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jyq n GLY 67 N -1.09 -0.68 0.00 5.00 0.00 -1.05 -5.18 105.19 102.18 2jyq n GLY 67 Ca 0.33 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.85 2jyq n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jyq n GLY 68 N 0.00 -0.69 3.83 -0.02 0.00 -1.09 -4.49 105.19 102.74 2jyq n GLY 68 Ca 0.00 0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2jyq n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jyq s PHE 69 N -1.60 3.56 -0.05 1.61 0.08 0.18 0.19 117.98 121.94 2jyq s PHE 69 Ca 0.00 0.52 -0.05 0.00 0.12 0.00 0.00 56.93 57.52 2jyq s PHE 69 Cb 0.00 -2.04 0.01 0.00 -0.57 0.00 0.00 43.02 40.42 2jyq s PHE 69 CO 0.00 0.60 0.15 1.52 -0.10 0.00 0.00 175.22 177.38 2jyq s TYR 70 N -0.61 -0.15 -0.03 0.36 1.13 -0.96 -1.02 117.35 116.06 2jyq s TYR 70 Ca 0.14 0.37 -0.00 0.00 -1.41 0.00 0.00 57.07 56.17 2jyq s TYR 70 Cb -0.12 0.05 -0.26 0.00 -1.10 0.00 0.00 41.96 40.53 2jyq s TYR 70 CO 0.03 -0.09 0.70 0.82 -2.51 0.00 0.00 175.55 174.51 2jyq h ILE 71 N 4.89 0.96 -4.01 -3.49 2.04 -1.80 -2.39 117.51 113.72 2jyq h ILE 71 Ca -0.25 -2.67 -0.10 0.00 1.00 0.00 0.00 64.86 62.83 2jyq h ILE 71 Cb 1.20 2.62 -0.15 0.00 -0.74 0.00 0.00 36.82 39.76 2jyq h ILE 71 CO 0.42 0.77 -0.52 0.28 0.00 0.00 0.00 178.15 179.09 2jyq s THR 72 N -2.60 0.18 -0.94 -0.27 -1.32 -1.26 -4.55 115.64 104.87 2jyq s THR 72 Ca -0.11 -1.46 -0.07 0.00 -1.21 0.00 0.00 61.69 58.84 2jyq s THR 72 Cb 0.07 -1.40 -0.11 0.00 -1.51 0.00 0.00 72.50 69.55 2jyq s THR 72 CO 0.83 -0.81 2.68 -1.20 -2.21 0.00 0.00 174.62 173.91 2jyq n SER 73 N 0.06 6.21 0.06 8.08 7.64 -1.26 -3.76 113.62 130.65 2jyq n SER 73 Ca -0.15 -2.41 0.00 0.00 1.01 0.00 0.00 58.87 57.33 2jyq n SER 73 Cb 0.62 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 2jyq n SER 73 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jyq n ARG 74 N 3.53 0.00 -3.91 1.43 5.12 -1.26 -5.09 116.66 116.48 2jyq n ARG 74 Ca 0.55 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 56.25 2jyq n ARG 74 Cb 0.33 -0.13 -0.17 0.00 -1.16 0.00 0.00 32.46 31.33 2jyq n ARG 74 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2jyq s THR 75 N -1.56 0.50 0.02 0.55 2.01 -1.25 -5.14 115.64 110.78 2jyq s THR 75 Ca 0.00 -0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.06 2jyq s THR 75 Cb 0.00 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 2jyq s THR 75 CO 0.00 0.26 -0.16 0.00 -0.69 0.00 0.00 174.62 174.03 2jyq s GLN 76 N 1.61 2.20 0.06 4.92 0.00 -1.26 -4.56 119.66 122.64 2jyq s GLN 76 Ca -0.00 -0.90 0.06 0.00 -0.00 0.00 0.00 55.36 54.52 2jyq s GLN 76 Cb -0.13 -2.25 -0.03 0.00 0.00 0.00 0.00 33.01 30.60 2jyq s GLN 76 CO -0.04 0.56 -0.17 -0.06 0.00 0.00 0.00 175.29 175.58 2jyq s PHE 77 N -0.89 1.51 -1.94 9.60 0.08 -0.19 -4.91 117.98 121.24 2jyq s PHE 77 Ca 0.14 -0.39 0.04 0.00 0.12 0.00 0.00 56.93 56.84 2jyq s PHE 77 Cb -0.11 -0.87 0.11 0.00 -0.57 0.00 0.00 43.02 41.59 2jyq s PHE 77 CO 0.05 0.09 1.07 -1.13 -0.10 0.00 0.00 175.22 175.20 2jyq n SER 78 N 1.58 0.73 -3.74 1.36 3.41 -1.26 0.51 113.62 116.21 2jyq n SER 78 Ca -0.19 -2.01 -0.12 0.00 -0.26 0.00 0.00 58.87 56.29 2jyq n SER 78 Cb 0.54 -0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 64.27 2jyq n SER 78 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jyq s SER 79 N -0.96 -0.35 0.33 4.04 0.01 -1.26 -4.86 113.70 110.66 2jyq s SER 79 Ca 0.08 0.65 0.03 0.00 1.31 0.00 0.00 55.95 58.03 2jyq s SER 79 Cb 0.04 0.60 0.58 0.00 0.21 0.00 0.00 66.02 67.45 2jyq s SER 79 CO 0.06 -0.14 1.89 -0.07 0.41 0.00 0.00 173.24 175.38 2jyq h LEU 80 N 6.38 0.58 -0.35 2.44 3.38 -1.96 -1.85 115.31 123.92 2jyq h LEU 80 Ca -0.32 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2jyq h LEU 80 Cb 1.18 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2jyq h LEU 80 CO 0.33 0.59 0.19 -0.61 0.09 0.00 0.00 178.44 179.03 2jyq h GLN 81 N 0.61 0.50 -0.80 1.13 5.75 -1.98 -1.35 115.11 118.97 2jyq h GLN 81 Ca 0.14 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 2jyq h GLN 81 Cb 0.25 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.67 2jyq h GLN 81 CO -0.00 0.42 0.44 1.96 -2.65 0.00 0.00 178.83 179.00 2jyq h GLN 82 N 0.45 1.10 0.50 1.69 1.08 -1.88 -1.20 115.11 116.85 2jyq h GLN 82 Ca 0.12 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2jyq h GLN 82 Cb 0.07 -0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 27.28 2jyq h GLN 82 CO -0.02 0.80 -0.29 1.25 -0.95 0.00 0.00 178.83 179.62 2jyq h LEU 83 N 1.11 -0.73 -0.37 1.46 7.12 -0.90 -2.42 115.31 120.59 2jyq h LEU 83 Ca 0.28 0.04 -0.02 0.00 0.13 0.00 0.00 57.88 58.31 2jyq h LEU 83 Cb 0.01 0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 40.33 2jyq h LEU 83 CO -0.05 -0.46 0.14 -0.37 -0.13 0.00 0.00 178.44 177.57 2jyq h VAL 84 N -0.74 1.20 -0.52 1.05 -1.51 -1.19 -1.50 116.25 113.04 2jyq h VAL 84 Ca -0.07 -0.62 0.07 0.00 -1.23 0.00 0.00 66.70 64.84 2jyq h VAL 84 Cb 0.59 0.92 -0.03 0.00 -2.13 0.00 0.00 31.29 30.63 2jyq h VAL 84 CO 0.08 0.22 0.35 0.00 -1.23 0.00 0.00 177.57 176.99 2jyq h ALA 85 N 0.98 1.92 0.05 5.19 0.00 -1.29 0.23 119.26 126.34 2jyq h ALA 85 Ca 0.12 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2jyq h ALA 85 Cb 0.21 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2jyq h ALA 85 CO -0.01 -0.02 -0.48 -0.92 0.00 0.00 0.00 179.25 177.83 2jyq h TYR 86 N 0.44 0.38 0.00 0.00 3.20 -1.07 -3.26 116.97 116.66 2jyq h TYR 86 Ca 0.23 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2jyq h TYR 86 Cb 0.34 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.58 2jyq h TYR 86 CO -0.00 1.13 0.00 0.66 -1.64 0.00 0.00 178.16 178.30 2jyq n TYR 87 N -4.33 0.00 0.45 -3.82 4.02 -0.60 -0.35 117.16 112.53 2jyq n TYR 87 Ca -0.11 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.91 2jyq n TYR 87 Cb 0.65 -0.37 0.45 0.00 -0.02 0.00 0.00 39.34 40.06 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 0.00 0.00 7.72 0.87 -0.60 -2.77 113.55 118.77 2jyq h SER 88 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jyq h SER 88 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2jyq h SER 88 CO 0.00 0.00 -0.83 1.17 -0.53 0.00 0.00 176.83 176.64 2jyq n LYS 89 N -2.44 0.00 -3.52 2.24 0.00 -0.56 -4.28 118.16 109.60 2jyq n LYS 89 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.93 2jyq n LYS 89 Cb 0.34 -0.49 -0.10 0.00 0.00 0.00 0.00 35.03 34.79 2jyq n LYS 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2jyq s HIS 90 N -2.00 3.27 0.24 5.64 2.46 0.53 -4.97 115.29 120.46 2jyq s HIS 90 Ca 0.00 -1.09 -0.05 0.00 0.47 0.00 0.00 55.06 54.39 2jyq s HIS 90 Cb 0.00 -2.82 0.25 0.00 -0.13 0.00 0.00 32.58 29.88 2jyq s HIS 90 CO 0.00 -0.75 1.79 0.00 -2.47 0.00 0.00 174.74 173.31 2jyq h ALA 91 N 8.54 1.10 0.00 1.58 0.00 -1.83 -3.30 119.26 125.35 2jyq h ALA 91 Ca -0.26 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jyq h ALA 91 Cb 1.10 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2jyq h ALA 91 CO 0.76 0.62 0.00 -0.25 0.00 0.00 0.00 179.25 180.38 2jyq n ASP 92 N -4.27 0.00 0.00 0.00 9.92 -1.26 -2.55 116.55 118.39 2jyq n ASP 92 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 2jyq n ASP 92 Cb 0.21 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 2jyq n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jyq n GLY 93 N 0.00 0.00 3.76 0.44 0.00 -1.26 -5.02 105.19 103.10 2jyq n GLY 93 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2jyq n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jyq s LEU 94 N -3.28 3.79 0.00 0.99 1.02 -1.06 -4.91 118.68 115.23 2jyq s LEU 94 Ca 0.00 2.47 0.28 0.00 0.02 0.00 0.00 54.13 56.90 2jyq s LEU 94 Cb 0.00 -4.44 1.33 0.00 0.02 0.00 0.00 46.19 43.10 2jyq s LEU 94 CO 0.00 -1.45 1.93 0.00 0.02 0.00 0.00 176.35 176.85 2jyq s HIS 96 N -2.70 -0.43 0.46 0.00 5.65 -1.26 -5.15 115.29 111.86 2jyq s HIS 96 Ca 0.22 0.92 -0.23 0.00 0.25 0.00 0.00 55.06 56.22 2jyq s HIS 96 Cb 0.18 0.18 -0.07 0.00 -1.18 0.00 0.00 32.58 31.69 2jyq s HIS 96 CO 0.44 -0.33 1.22 1.03 -0.65 0.00 0.00 174.74 176.45 2jyq s ARG 97 N -0.42 3.71 -0.67 2.88 0.52 -1.26 -4.90 118.95 118.79 2jyq s ARG 97 Ca -0.06 1.92 -0.26 0.00 -0.52 0.00 0.00 55.73 56.81 2jyq s ARG 97 Cb -0.03 -2.46 -0.07 0.00 0.52 0.00 0.00 34.95 32.91 2jyq s ARG 97 CO 0.03 -0.64 2.16 -0.51 0.02 0.00 0.00 175.30 176.37 2jyq s LEU 98 N -2.98 3.20 -0.13 2.53 1.43 -1.05 -4.66 118.68 117.03 2jyq s LEU 98 Ca 0.63 0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 53.94 2jyq s LEU 98 Cb -0.32 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 2jyq s LEU 98 CO 0.39 -2.94 -0.17 0.41 0.23 0.00 0.00 176.35 174.27 2jyq n THR 99 N 7.93 1.35 -4.43 5.49 -1.04 -1.04 -4.44 114.28 118.09 2jyq n THR 99 Ca 0.35 0.23 -0.20 0.00 -2.04 0.00 0.00 64.05 62.40 2jyq n THR 99 Cb 0.50 -2.35 -0.14 0.00 -1.82 0.00 0.00 70.33 66.52 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 -5.63 1.30 0.41 8.00 4.22 -0.81 -5.02 114.94 117.42 2jyq s ASN 100 Ca -0.14 -0.24 -0.20 0.00 -2.14 0.00 0.00 52.86 50.13 2jyq s ASN 100 Cb 0.02 -0.13 -0.11 0.00 1.28 0.00 0.00 41.25 42.31 2jyq s ASN 100 CO 0.21 0.11 0.92 -0.69 -2.04 0.00 0.00 177.10 175.60 2jyq s VAL 101 N -0.38 4.43 -0.09 3.54 1.01 -1.26 -1.10 120.40 126.55 2jyq s VAL 101 Ca 0.03 1.41 -0.32 0.00 0.00 0.00 0.00 61.98 63.10 2jyq s VAL 101 Cb -0.05 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 2jyq s VAL 101 CO -0.00 -0.30 1.98 0.00 0.00 0.00 0.00 175.10 176.78 2jyq s PRO 103 N 4.66 4.05 0.27 0.00 0.02 -1.26 -5.03 135.00 137.71 2jyq s PRO 103 Ca 0.94 1.46 -0.21 0.00 0.02 0.00 0.00 61.00 63.21 2jyq s PRO 103 Cb -0.59 -2.39 0.02 0.00 0.02 0.00 0.00 34.50 31.56 2jyq s PRO 103 CO 0.47 -0.24 0.70 -0.08 -0.33 0.00 0.00 177.00 177.52 2jyq s THR 104 N -1.77 0.00 -0.06 0.99 -1.32 -1.26 -5.02 115.64 107.20 2jyq s THR 104 Ca 0.61 -0.98 -0.29 0.00 -1.21 0.00 0.00 61.69 59.82 2jyq s THR 104 Cb -0.20 -1.96 0.11 0.00 -1.51 0.00 0.00 72.50 68.94 2jyq s THR 104 CO 0.25 -0.00 0.89 -0.55 -2.21 0.00 0.00 174.62 173.00 2jyq s SER 105 N -2.92 -0.41 0.00 8.08 0.15 -1.26 -5.29 113.70 112.06 2jyq s SER 105 Ca 0.11 0.23 0.29 0.00 0.70 0.00 0.00 55.95 57.28 2jyq s SER 105 Cb -0.05 0.38 1.22 0.00 -1.71 0.00 0.00 66.02 65.86 2jyq s SER 105 CO 0.06 -0.53 1.84 2.29 1.20 0.00 0.00 173.24 178.11