#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 2.81 0.99 -1.58 0.00 -1.26 -4.99 121.76 117.73 2jyq s ALA 2 Ca 0.00 -1.17 -0.17 0.00 0.00 0.00 0.00 51.96 50.63 2jyq s ALA 2 Cb 0.00 -1.70 0.21 0.00 0.00 0.00 0.00 23.12 21.63 2jyq s ALA 2 CO 0.00 -0.43 1.31 -1.21 0.00 0.00 0.00 175.76 175.43 2jyq s GLU 3 N 1.48 0.40 0.07 0.00 0.41 0.03 -4.96 118.70 116.13 2jyq s GLU 3 Ca 0.06 -0.41 -0.26 0.00 -0.41 0.00 0.00 54.97 53.95 2jyq s GLU 3 Cb -0.14 -1.82 -0.17 0.00 -1.78 0.00 0.00 34.13 30.22 2jyq s GLU 3 CO -0.03 -2.58 1.61 0.93 -0.49 0.00 0.00 175.26 174.70 2jyq h GLU 4 N -1.76 -0.30 0.22 1.61 5.08 -2.01 -3.28 114.58 114.14 2jyq h GLU 4 Ca -0.44 0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 57.64 2jyq h GLU 4 Cb 1.23 0.07 0.03 0.00 0.50 0.00 0.00 28.75 30.59 2jyq h GLU 4 CO 0.36 -0.14 -1.31 0.11 -1.00 0.00 0.00 179.01 177.03 2jyq h TRP 5 N -0.39 0.90 -2.26 4.33 5.08 -1.94 -3.42 115.95 118.24 2jyq h TRP 5 Ca -0.03 -0.65 -0.63 0.00 1.08 0.00 0.00 58.89 58.67 2jyq h TRP 5 Cb 0.30 -0.04 -0.13 0.00 -3.00 0.00 0.00 29.16 26.28 2jyq h TRP 5 CO -0.04 1.50 0.88 -0.47 -1.28 0.00 0.00 178.44 179.03 2jyq s TYR 6 N -2.60 2.70 -0.38 0.12 5.04 -1.24 -1.82 117.35 119.17 2jyq s TYR 6 Ca -0.10 -0.74 0.22 0.00 -2.44 0.00 0.00 57.07 54.00 2jyq s TYR 6 Cb 0.03 -4.42 0.30 0.00 0.35 0.00 0.00 41.96 38.22 2jyq s TYR 6 CO 0.92 -1.73 1.58 0.74 -1.34 0.00 0.00 175.55 175.72 2jyq h PHE 7 N 9.49 0.00 0.00 4.97 -1.00 -1.67 0.11 116.94 128.84 2jyq h PHE 7 Ca -0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.70 2jyq h PHE 7 Cb 1.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.60 2jyq h PHE 7 CO 1.10 0.10 0.00 0.41 -1.61 0.00 0.00 178.31 178.31 2jyq n GLY 8 N 1.11 -1.81 3.15 -1.45 0.00 -1.24 -4.68 105.19 100.29 2jyq n GLY 8 Ca 0.04 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 2jyq n GLY 8 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jyq n LYS 9 N 0.00 3.11 -3.76 1.61 2.85 -1.26 -0.83 118.16 119.89 2jyq n LYS 9 Ca 0.00 -3.07 -0.34 0.00 -1.05 0.00 0.00 58.31 53.85 2jyq n LYS 9 Cb 0.00 -3.32 -0.05 0.00 -0.65 0.00 0.00 35.03 31.01 2jyq n LYS 9 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2jyq s ILE 10 N 3.21 5.29 0.82 0.58 -4.36 -1.26 -4.86 121.20 120.62 2jyq s ILE 10 Ca 0.49 0.14 -0.12 0.00 -0.26 0.00 0.00 60.65 60.90 2jyq s ILE 10 Cb 0.08 -3.58 0.08 0.00 1.25 0.00 0.00 42.46 40.30 2jyq s ILE 10 CO -0.00 0.33 1.10 0.42 0.24 0.00 0.00 174.94 177.03 2jyq s THR 11 N -1.33 2.88 0.12 8.37 -4.23 -1.26 -4.69 115.64 115.50 2jyq s THR 11 Ca 0.29 0.29 -0.22 0.00 -1.18 0.00 0.00 61.69 60.86 2jyq s THR 11 Cb -0.13 -3.04 -0.07 0.00 1.34 0.00 0.00 72.50 70.60 2jyq s THR 11 CO 0.17 -0.37 1.70 0.03 -0.54 0.00 0.00 174.62 175.60 2jyq h ARG 12 N -1.15 -0.11 -0.58 3.99 3.08 -1.99 -2.04 114.38 115.58 2jyq h ARG 12 Ca -0.48 0.01 0.12 0.00 0.07 0.00 0.00 59.98 59.70 2jyq h ARG 12 Cb 1.28 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 31.25 2jyq h ARG 12 CO 0.60 -0.07 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.29 2jyq h ARG 13 N -0.12 0.07 -0.26 0.04 9.65 -1.98 0.52 114.38 122.30 2jyq h ARG 13 Ca 0.06 -0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.94 2jyq h ARG 13 Cb 0.20 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 2jyq h ARG 13 CO -0.14 0.05 0.16 0.93 2.80 0.00 0.00 179.97 183.76 2jyq h GLU 14 N 0.07 0.31 -0.20 0.20 5.08 -1.85 0.52 114.58 118.73 2jyq h GLU 14 Ca 0.30 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2jyq h GLU 14 Cb 0.47 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2jyq h GLU 14 CO -0.53 0.21 0.06 1.03 -1.00 0.00 0.00 179.01 178.77 2jyq h SER 15 N 0.32 0.30 0.03 1.42 0.87 -0.41 -2.69 113.55 113.39 2jyq h SER 15 Ca 0.10 -0.22 -0.12 0.00 -1.23 0.00 0.00 61.79 60.33 2jyq h SER 15 Cb -0.01 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2jyq h SER 15 CO -0.04 0.43 -0.38 -0.33 -0.53 0.00 0.00 176.83 175.99 2jyq h GLU 16 N 0.14 0.47 0.00 2.24 5.08 0.07 -0.65 114.58 121.93 2jyq h GLU 16 Ca 0.06 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2jyq h GLU 16 Cb 0.25 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2jyq h GLU 16 CO -0.00 0.77 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.61 2jyq h ARG 17 N 0.39 0.00 0.15 2.33 1.12 -0.77 -0.24 114.38 117.36 2jyq h ARG 17 Ca 0.04 0.00 -0.35 0.00 -1.11 0.00 0.00 59.98 58.55 2jyq h ARG 17 Cb 0.84 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.79 2jyq h ARG 17 CO 0.07 0.09 -1.87 -0.07 -3.11 0.00 0.00 179.97 175.08 2jyq h LEU 18 N 0.00 0.48 -0.37 3.80 3.38 -1.02 -3.39 115.31 118.20 2jyq h LEU 18 Ca -0.00 -0.89 -0.10 0.00 0.09 0.00 0.00 57.88 56.98 2jyq h LEU 18 Cb 0.24 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2jyq h LEU 18 CO 0.01 1.78 -0.46 -0.07 0.09 0.00 0.00 178.44 179.79 2jyq h LEU 19 N 0.08 0.00 0.00 1.67 3.38 -0.76 -3.00 115.31 116.68 2jyq h LEU 19 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2jyq h LEU 19 Cb 2.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.81 2jyq h LEU 19 CO 0.13 0.46 0.00 0.18 0.09 0.00 0.00 178.44 179.30 2jyq n LEU 20 N -3.33 0.00 -4.58 1.67 7.99 -0.13 -4.64 117.00 113.97 2jyq n LEU 20 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.58 2jyq n LEU 20 Cb 0.65 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.93 2jyq n LEU 20 CO 0.39 0.00 0.86 0.21 -1.51 0.00 0.00 177.39 177.34 2jyq s ASN 21 N -1.61 6.54 0.00 -1.43 2.47 -1.14 -4.91 114.94 114.86 2jyq s ASN 21 Ca 0.24 0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.74 2jyq s ASN 21 Cb 0.11 -2.49 0.00 0.00 -1.45 0.00 0.00 41.25 37.42 2jyq s ASN 21 CO 0.18 -1.15 0.22 -2.65 -3.72 0.00 0.00 177.10 169.99 2jyq n PRO 22 N 7.47 0.28 0.00 0.43 -0.02 -1.26 -2.59 135.00 139.31 2jyq n PRO 22 Ca 0.08 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.71 2jyq n PRO 22 Cb 0.49 -1.06 0.69 0.00 -0.02 0.00 0.00 33.50 33.59 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 -0.12 0.78 -4.51 -0.52 -0.58 -1.26 -4.83 120.64 109.60 2jyq n GLU 23 Ca 0.00 -0.22 -0.32 0.00 -0.42 0.00 0.00 57.16 56.20 2jyq n GLU 23 Cb 0.03 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.30 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 -2.37 4.60 0.67 1.62 2.20 -1.07 -5.10 114.94 115.50 2jyq s ASN 24 Ca 0.33 -0.12 -0.10 0.00 -0.94 0.00 0.00 52.86 52.03 2jyq s ASN 24 Cb 0.20 -1.08 0.01 0.00 -2.00 0.00 0.00 41.25 38.38 2jyq s ASN 24 CO 0.44 0.30 1.03 -2.16 -2.94 0.00 0.00 177.10 173.78 2jyq s PRO 25 N -1.27 2.91 -0.43 3.55 0.04 -1.26 -4.98 135.00 133.55 2jyq s PRO 25 Ca 0.16 0.32 -0.28 0.00 0.04 0.00 0.00 61.00 61.25 2jyq s PRO 25 Cb -0.11 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 2jyq s PRO 25 CO 0.06 -0.91 1.81 0.50 0.04 0.00 0.00 177.00 178.50 2jyq s ARG 26 N -5.23 3.08 0.00 4.56 3.52 -1.26 -2.44 118.95 121.17 2jyq s ARG 26 Ca 0.57 1.12 0.00 0.00 -0.13 0.00 0.00 55.73 57.29 2jyq s ARG 26 Cb -0.11 -4.26 0.00 0.00 -1.56 0.00 0.00 34.95 29.02 2jyq s ARG 26 CO 0.50 -2.17 0.00 0.41 -0.81 0.00 0.00 175.30 173.22 2jyq n GLY 27 N 5.51 -0.78 3.72 8.12 0.00 -1.23 -4.94 105.19 115.59 2jyq n GLY 27 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.21 4.22 0.18 2.61 2.01 -1.02 -1.81 115.64 121.62 2jyq s THR 28 Ca 0.00 1.72 0.00 0.00 0.31 0.00 0.00 61.69 63.72 2jyq s THR 28 Cb 0.00 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2jyq s THR 28 CO 0.00 0.20 0.05 0.72 -0.69 0.00 0.00 174.62 174.90 2jyq s PHE 29 N 0.49 1.15 -0.24 4.92 -0.71 -0.67 -0.69 117.98 122.23 2jyq s PHE 29 Ca 0.53 -1.16 -0.26 0.00 -1.04 0.00 0.00 56.93 55.00 2jyq s PHE 29 Cb -0.27 -0.64 0.09 0.00 -1.21 0.00 0.00 43.02 40.98 2jyq s PHE 29 CO 0.31 -0.38 0.81 -0.48 -1.34 0.00 0.00 175.22 174.13 2jyq s LEU 30 N -3.16 -0.64 -0.26 -1.99 2.34 -0.94 -0.62 118.68 113.41 2jyq s LEU 30 Ca 0.28 1.15 -0.06 0.00 0.06 0.00 0.00 54.13 55.56 2jyq s LEU 30 Cb 0.07 2.30 -0.01 0.00 -0.56 0.00 0.00 46.19 47.99 2jyq s LEU 30 CO 0.06 -0.28 0.04 0.54 -1.06 0.00 0.00 176.35 175.65 2jyq s VAL 31 N 0.05 3.89 0.28 1.48 0.11 -0.76 -1.01 120.40 124.45 2jyq s VAL 31 Ca -0.01 -0.46 0.07 0.00 -2.93 0.00 0.00 61.98 58.65 2jyq s VAL 31 Cb -0.04 -2.87 -0.03 0.00 -1.53 0.00 0.00 36.38 31.90 2jyq s VAL 31 CO 0.00 0.27 0.27 -0.13 -3.33 0.00 0.00 175.10 172.19 2jyq s ARG 32 N 1.53 2.95 -0.18 1.54 0.52 -0.00 -2.55 118.95 122.76 2jyq s ARG 32 Ca 0.05 -1.08 -0.12 0.00 -0.52 0.00 0.00 55.73 54.05 2jyq s ARG 32 Cb -0.16 -2.61 -0.05 0.00 0.52 0.00 0.00 34.95 32.66 2jyq s ARG 32 CO 0.01 0.28 0.23 -2.00 0.02 0.00 0.00 175.30 173.84 2jyq s GLU 33 N -3.94 4.23 0.35 3.54 2.12 -0.01 0.32 118.70 125.31 2jyq s GLU 33 Ca 0.37 -0.03 -0.28 0.00 0.36 0.00 0.00 54.97 55.39 2jyq s GLU 33 Cb -0.08 -3.43 -0.10 0.00 0.26 0.00 0.00 34.13 30.79 2jyq s GLU 33 CO 0.27 0.25 1.27 -1.12 -0.54 0.00 0.00 175.26 175.39 2jyq s SER 34 N 0.45 6.71 0.23 -1.70 0.01 -0.93 -4.29 113.70 114.18 2jyq s SER 34 Ca 0.13 2.60 -0.05 0.00 1.31 0.00 0.00 55.95 59.94 2jyq s SER 34 Cb -0.12 -2.64 0.23 0.00 0.21 0.00 0.00 66.02 63.70 2jyq s SER 34 CO 0.02 -0.57 1.74 1.05 0.41 0.00 0.00 173.24 175.89 2jyq h GLU 35 N 3.20 0.97 0.00 12.44 4.11 -1.93 -3.40 114.58 129.99 2jyq h GLU 35 Ca -0.49 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 58.70 2jyq h GLU 35 Cb 1.23 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2jyq h GLU 35 CO 0.65 0.90 -0.28 0.25 0.07 0.00 0.00 179.01 180.59 2jyq n THR 36 N -4.23 0.49 -2.09 -1.06 -2.24 -1.26 -4.88 114.28 99.01 2jyq n THR 36 Ca 0.04 0.34 -0.38 0.00 -2.27 0.00 0.00 64.05 61.78 2jyq n THR 36 Cb 0.27 -1.69 -0.03 0.00 -2.10 0.00 0.00 70.33 66.78 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 -1.59 3.39 0.10 4.28 2.01 -1.26 -4.96 115.64 117.61 2jyq s THR 37 Ca -0.08 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 2jyq s THR 37 Cb 0.01 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.43 2jyq s THR 37 CO 0.12 -1.00 1.03 -0.54 -0.69 0.00 0.00 174.62 173.54 2jyq s LYS 38 N 6.92 4.61 0.00 4.92 1.02 -1.26 -2.53 119.74 133.42 2jyq s LYS 38 Ca 0.64 1.55 0.00 0.00 0.02 0.00 0.00 55.97 58.18 2jyq s LYS 38 Cb -0.12 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 2jyq s LYS 38 CO 0.19 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.09 2jyq n GLY 39 N 2.46 0.45 3.58 -3.33 0.00 -1.26 -4.97 105.19 102.12 2jyq n GLY 39 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.13 3.34 0.02 4.61 0.00 -1.05 -3.26 121.76 123.29 2jyq s ALA 40 Ca 0.00 -0.88 0.07 0.00 0.00 0.00 0.00 51.96 51.15 2jyq s ALA 40 Cb 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 2jyq s ALA 40 CO 0.00 -0.06 -0.21 0.71 0.00 0.00 0.00 175.76 176.20 2jyq s TYR 41 N 0.82 2.49 -0.72 0.00 1.51 0.85 -2.18 117.35 120.12 2jyq s TYR 41 Ca 0.04 -0.31 -0.15 0.00 -1.01 0.00 0.00 57.07 55.64 2jyq s TYR 41 Cb -0.13 -1.48 0.18 0.00 -0.11 0.00 0.00 41.96 40.41 2jyq s TYR 41 CO 0.02 0.17 0.69 0.00 -1.11 0.00 0.00 175.55 175.32 2jyq s LEU 43 N 0.94 3.40 -0.15 0.00 1.98 -0.93 -0.82 118.68 123.10 2jyq s LEU 43 Ca 0.13 -0.69 -0.11 0.00 -2.89 0.00 0.00 54.13 50.56 2jyq s LEU 43 Cb -0.18 -2.54 -0.05 0.00 0.66 0.00 0.00 46.19 44.09 2jyq s LEU 43 CO -0.04 -1.73 0.22 -0.44 -1.89 0.00 0.00 176.35 172.48 2jyq s SER 44 N 3.91 6.39 -0.06 3.68 0.01 -0.18 -2.54 113.70 124.91 2jyq s SER 44 Ca 0.35 0.45 0.02 0.00 1.31 0.00 0.00 55.95 58.08 2jyq s SER 44 Cb -0.08 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 2jyq s SER 44 CO 0.10 0.20 -0.11 -0.69 0.41 0.00 0.00 173.24 173.16 2jyq s VAL 45 N 0.01 3.33 -0.80 3.43 1.01 -0.80 -2.22 120.40 124.36 2jyq s VAL 45 Ca 0.14 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 2jyq s VAL 45 Cb -0.12 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.94 2jyq s VAL 45 CO 0.03 0.59 1.48 -0.94 0.00 0.00 0.00 175.10 176.25 2jyq s SER 46 N -0.70 6.01 0.08 3.32 1.04 0.13 -1.46 113.70 122.12 2jyq s SER 46 Ca 0.11 -0.58 -0.21 0.00 0.48 0.00 0.00 55.95 55.75 2jyq s SER 46 Cb -0.11 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.39 2jyq s SER 46 CO 0.01 -1.93 0.63 -0.62 0.98 0.00 0.00 173.24 172.31 2jyq s ASP 47 N 5.14 7.13 -0.14 7.02 2.15 0.94 -3.55 116.67 135.35 2jyq s ASP 47 Ca 0.46 1.34 0.01 0.00 0.43 0.00 0.00 52.55 54.79 2jyq s ASP 47 Cb -0.07 -2.40 0.02 0.00 -0.30 0.00 0.00 42.92 40.17 2jyq s ASP 47 CO 0.09 0.22 -0.18 0.12 -0.17 0.00 0.00 175.17 175.25 2jyq s PHE 48 N -0.90 2.38 0.13 -5.34 5.36 -1.26 -0.06 117.98 118.29 2jyq s PHE 48 Ca 0.31 -1.28 0.05 0.00 -0.96 0.00 0.00 56.93 55.05 2jyq s PHE 48 Cb -0.20 -1.68 -0.04 0.00 -0.34 0.00 0.00 43.02 40.76 2jyq s PHE 48 CO 0.20 -0.64 0.08 0.34 -1.46 0.00 0.00 175.22 173.75 2jyq s ASP 49 N 1.17 5.37 0.00 6.13 2.15 0.91 -4.95 116.67 127.45 2jyq s ASP 49 Ca -0.01 -0.12 0.30 0.00 0.43 0.00 0.00 52.55 53.15 2jyq s ASP 49 Cb -0.14 -1.38 1.44 0.00 -0.30 0.00 0.00 42.92 42.54 2jyq s ASP 49 CO -0.07 0.12 1.97 -0.46 -0.17 0.00 0.00 175.17 176.56 2jyq n ASN 50 N 0.08 0.54 0.00 -0.34 6.94 -1.26 -1.49 115.26 119.73 2jyq n ASN 50 Ca -0.09 -0.94 0.00 0.00 -0.02 0.00 0.00 54.58 53.53 2jyq n ASN 50 Cb 0.53 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 2jyq n ASN 50 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jyq n ALA 51 N -0.70 2.46 0.11 -2.53 0.00 -1.26 -4.80 120.51 113.79 2jyq n ALA 51 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.64 2jyq n ALA 51 Cb 0.24 0.42 -0.01 0.00 0.00 0.00 0.00 19.45 20.10 2jyq n ALA 51 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jyq h LYS 52 N 0.00 0.00 0.00 0.00 1.57 -1.99 -3.50 116.57 112.66 2jyq h LYS 52 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jyq h LYS 52 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2jyq h LYS 52 CO 0.00 0.49 0.00 0.41 -0.57 0.00 0.00 179.45 179.78 2jyq n GLY 53 N 1.27 0.49 3.75 3.86 0.00 -0.55 -4.88 105.19 109.13 2jyq n GLY 53 Ca -0.00 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 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 4.55 0.04 0.99 1.43 -1.26 -0.06 118.68 124.37 2jyq s LEU 54 Ca 0.00 1.67 -0.09 0.00 -1.03 0.00 0.00 54.13 54.68 2jyq s LEU 54 Cb 0.00 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.84 2jyq s LEU 54 CO 0.00 0.10 0.18 0.54 0.23 0.00 0.00 176.35 177.40 2jyq s ASN 55 N -0.64 0.05 -0.34 2.29 2.20 0.92 -4.98 114.94 114.44 2jyq s ASN 55 Ca 0.39 -0.39 -0.15 0.00 -0.94 0.00 0.00 52.86 51.78 2jyq s ASN 55 Cb -0.23 0.28 -0.01 0.00 -2.00 0.00 0.00 41.25 39.29 2jyq s ASN 55 CO 0.27 -0.55 0.33 -0.69 -2.94 0.00 0.00 177.10 173.52 2jyq s VAL 56 N -2.58 5.20 -0.53 3.54 1.01 -1.26 -0.04 120.40 125.74 2jyq s VAL 56 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 2jyq s VAL 56 Cb -0.01 -3.79 0.05 0.00 0.00 0.00 0.00 36.38 32.63 2jyq s VAL 56 CO -0.04 -0.06 0.79 -0.75 0.00 0.00 0.00 175.10 175.04 2jyq s LYS 57 N 1.95 3.24 -0.52 2.72 2.20 -0.53 -4.94 119.74 123.86 2jyq s LYS 57 Ca 0.10 -0.55 -0.24 0.00 -0.36 0.00 0.00 55.97 54.93 2jyq s LYS 57 Cb -0.17 -4.07 0.04 0.00 -1.51 0.00 0.00 37.83 32.12 2jyq s LYS 57 CO 0.11 -1.36 0.90 -1.01 -0.36 0.00 0.00 175.35 173.64 2jyq s HIS 58 N 3.33 2.86 -0.10 4.03 3.76 -1.26 -1.90 115.29 126.01 2jyq s HIS 58 Ca 0.23 0.07 -0.13 0.00 -0.15 0.00 0.00 55.06 55.09 2jyq s HIS 58 Cb -0.16 -3.97 -0.05 0.00 1.11 0.00 0.00 32.58 29.52 2jyq s HIS 58 CO 0.16 -1.23 0.31 0.71 -0.85 0.00 0.00 174.74 173.83 2jyq s TYR 59 N 3.76 3.57 -0.54 1.40 2.02 -1.05 -5.01 117.35 121.50 2jyq s TYR 59 Ca 0.31 0.72 -0.18 0.00 -0.37 0.00 0.00 57.07 57.54 2jyq s TYR 59 Cb -0.12 -2.26 0.08 0.00 -0.40 0.00 0.00 41.96 39.26 2jyq s TYR 59 CO 0.21 0.45 0.63 0.15 -1.57 0.00 0.00 175.55 175.43 2jyq s LYS 60 N -0.28 3.07 -1.08 -0.62 1.02 -1.26 -2.20 119.74 118.38 2jyq s LYS 60 Ca 0.19 -1.17 -0.20 0.00 0.02 0.00 0.00 55.97 54.80 2jyq s LYS 60 Cb -0.14 -4.19 0.08 0.00 -0.52 0.00 0.00 37.83 33.06 2jyq s LYS 60 CO 0.07 -1.35 1.46 0.42 -0.92 0.00 0.00 175.35 175.03 2jyq s ILE 61 N 2.50 4.18 0.43 2.17 1.01 0.16 -4.47 121.20 127.18 2jyq s ILE 61 Ca 0.12 -1.29 -0.10 0.00 0.00 0.00 0.00 60.65 59.38 2jyq s ILE 61 Cb -0.23 -5.04 -0.06 0.00 0.01 0.00 0.00 42.46 37.15 2jyq s ILE 61 CO 0.08 -1.87 0.79 -0.13 0.00 0.00 0.00 174.94 173.82 2jyq s ARG 62 N 4.19 3.73 0.18 2.79 0.52 -0.66 -0.11 118.95 129.59 2jyq s ARG 62 Ca 0.45 0.44 0.06 0.00 -0.52 0.00 0.00 55.73 56.16 2jyq s ARG 62 Cb -0.00 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.06 2jyq s ARG 62 CO -0.05 -0.10 0.08 -1.59 0.02 0.00 0.00 175.30 173.66 2jyq s LYS 63 N -4.10 2.69 -0.06 3.54 -2.85 -1.20 -0.81 119.74 116.95 2jyq s LYS 63 Ca 0.51 -1.00 -0.00 0.00 -1.00 0.00 0.00 55.97 54.48 2jyq s LYS 63 Cb -0.10 -2.51 -0.03 0.00 -2.06 0.00 0.00 37.83 33.12 2jyq s LYS 63 CO 0.35 0.46 -0.02 -0.51 0.10 0.00 0.00 175.35 175.73 2jyq s LEU 64 N -3.13 3.44 0.52 2.77 1.43 0.13 -4.94 118.68 118.90 2jyq s LEU 64 Ca 0.30 0.06 0.26 0.00 -1.03 0.00 0.00 54.13 53.72 2jyq s LEU 64 Cb -0.09 -1.83 1.43 0.00 0.03 0.00 0.00 46.19 45.73 2jyq s LEU 64 CO 0.22 0.35 2.08 -2.24 0.23 0.00 0.00 176.35 176.98 2jyq h ASP 65 N 4.97 0.00 -0.81 2.29 2.03 -2.00 -3.05 116.42 119.85 2jyq h ASP 65 Ca -0.50 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.44 2jyq h ASP 65 Cb 1.18 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 39.28 2jyq h ASP 65 CO 0.54 0.12 -1.07 -0.24 -1.03 0.00 0.00 179.24 177.56 2jyq n SER 66 N -3.73 2.26 0.00 4.15 2.88 -1.26 -4.94 113.62 112.97 2jyq n SER 66 Ca -0.02 -2.68 0.00 0.00 -1.33 0.00 0.00 58.87 54.84 2jyq n SER 66 Cb 0.23 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 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 -0.39 -1.33 0.00 0.46 0.00 -1.15 -5.19 105.19 97.59 2jyq n GLY 67 Ca 0.16 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.45 -0.50 3.82 -0.02 0.00 -1.21 -4.20 105.19 102.62 2jyq n GLY 68 Ca 0.00 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.30 3.54 -0.01 1.61 0.08 0.22 0.22 117.98 120.34 2jyq s PHE 69 Ca 0.00 0.50 -0.00 0.00 0.12 0.00 0.00 56.93 57.55 2jyq s PHE 69 Cb 0.00 -2.05 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 2jyq s PHE 69 CO 0.00 0.56 0.01 1.52 -0.10 0.00 0.00 175.22 177.21 2jyq s TYR 70 N -0.51 0.01 -0.07 0.36 1.13 0.01 -2.13 117.35 116.13 2jyq s TYR 70 Ca 0.13 0.03 0.13 0.00 -1.41 0.00 0.00 57.07 55.96 2jyq s TYR 70 Cb -0.12 -0.06 -0.06 0.00 -1.10 0.00 0.00 41.96 40.62 2jyq s TYR 70 CO 0.03 -0.02 1.23 0.82 -2.51 0.00 0.00 175.55 175.10 2jyq h ILE 71 N 5.42 1.00 -3.33 -3.49 2.04 -1.78 -1.76 117.51 115.60 2jyq h ILE 71 Ca -0.29 -2.51 -0.01 0.00 1.00 0.00 0.00 64.86 63.05 2jyq h ILE 71 Cb 1.19 2.45 -0.08 0.00 -0.74 0.00 0.00 36.82 39.64 2jyq h ILE 71 CO 0.50 0.57 0.04 0.28 0.00 0.00 0.00 178.15 179.54 2jyq s THR 72 N -2.87 0.01 -0.72 -0.27 -1.32 -1.26 -4.60 115.64 104.61 2jyq s THR 72 Ca 0.01 -1.05 -0.08 0.00 -1.21 0.00 0.00 61.69 59.37 2jyq s THR 72 Cb 0.08 -1.90 -0.17 0.00 -1.51 0.00 0.00 72.50 69.00 2jyq s THR 72 CO 0.78 -0.05 3.29 -0.24 -2.21 0.00 0.00 174.62 176.20 2jyq n SER 73 N -0.39 6.82 0.00 8.08 2.88 -1.26 -4.09 113.62 125.67 2jyq n SER 73 Ca -0.06 -2.56 0.00 0.00 -1.33 0.00 0.00 58.87 54.92 2jyq n SER 73 Cb 0.61 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 2jyq n SER 73 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jyq n ARG 74 N 2.86 0.00 -4.13 -1.46 5.12 -1.26 -5.08 116.66 112.71 2jyq n ARG 74 Ca 0.59 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 56.16 2jyq n ARG 74 Cb 0.60 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.80 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 -0.14 4.58 -0.10 0.55 2.01 -1.26 -5.09 115.64 116.19 2jyq s THR 75 Ca 0.00 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 61.90 2jyq s THR 75 Cb 0.00 -3.03 0.02 0.00 0.01 0.00 0.00 72.50 69.49 2jyq s THR 75 CO 0.00 0.49 -0.14 -1.10 -0.69 0.00 0.00 174.62 173.19 2jyq s GLN 76 N 0.14 2.03 -0.00 4.92 -0.21 -1.26 -4.47 119.66 120.80 2jyq s GLN 76 Ca 0.03 -0.49 0.08 0.00 0.02 0.00 0.00 55.36 55.00 2jyq s GLN 76 Cb -0.13 -1.76 -0.02 0.00 1.00 0.00 0.00 33.01 32.11 2jyq s GLN 76 CO 0.01 -0.07 -0.24 -0.06 -2.12 0.00 0.00 175.29 172.81 2jyq s PHE 77 N 1.01 2.15 -1.91 0.91 0.08 -0.91 -4.93 117.98 114.39 2jyq s PHE 77 Ca -0.07 -0.40 0.29 0.00 0.12 0.00 0.00 56.93 56.87 2jyq s PHE 77 Cb -0.15 -1.36 1.71 0.00 -0.57 0.00 0.00 43.02 42.65 2jyq s PHE 77 CO -0.01 0.00 2.08 0.43 -0.10 0.00 0.00 175.22 177.61 2jyq n SER 78 N 2.32 0.00 -3.68 1.36 7.64 -1.26 0.70 113.62 120.69 2jyq n SER 78 Ca -0.16 -0.79 -0.10 0.00 1.01 0.00 0.00 58.87 58.82 2jyq n SER 78 Cb 0.52 -0.05 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 2jyq n SER 78 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jyq s SER 79 N -2.09 -0.21 0.40 6.43 0.01 -1.26 -4.71 113.70 112.27 2jyq s SER 79 Ca 0.41 -0.40 0.23 0.00 1.31 0.00 0.00 55.95 57.51 2jyq s SER 79 Cb 0.20 0.49 0.32 0.00 0.21 0.00 0.00 66.02 67.24 2jyq s SER 79 CO 0.36 -0.90 1.55 -0.07 0.41 0.00 0.00 173.24 174.59 2jyq h LEU 80 N 2.35 0.00 -0.24 2.44 3.38 -1.97 -3.17 115.31 118.11 2jyq h LEU 80 Ca -0.33 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 2jyq h LEU 80 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2jyq h LEU 80 CO 0.45 0.00 -0.10 -0.61 0.09 0.00 0.00 178.44 178.27 2jyq h GLN 81 N 0.00 0.49 -0.33 1.13 5.75 -1.98 -2.49 115.11 117.68 2jyq h GLN 81 Ca 0.00 -0.21 0.02 0.00 -0.15 0.00 0.00 58.65 58.31 2jyq h GLN 81 Cb 0.99 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.51 2jyq h GLN 81 CO 0.00 0.75 0.22 1.96 -2.65 0.00 0.00 178.83 179.11 2jyq h GLN 82 N 0.21 0.37 0.60 1.69 1.08 -1.97 -1.72 115.11 115.36 2jyq h GLN 82 Ca 0.05 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2jyq h GLN 82 Cb 0.60 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2jyq h GLN 82 CO 0.03 0.24 -0.30 1.25 -0.95 0.00 0.00 178.83 179.11 2jyq h LEU 83 N 0.38 -0.72 -0.71 1.46 7.12 -1.43 -2.50 115.31 118.91 2jyq h LEU 83 Ca 0.13 0.03 -0.06 0.00 0.13 0.00 0.00 57.88 58.10 2jyq h LEU 83 Cb 0.04 0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.33 2jyq h LEU 83 CO -0.03 -0.50 0.21 -0.37 -0.13 0.00 0.00 178.44 177.62 2jyq h VAL 84 N -0.82 1.26 -0.52 1.05 -1.51 -1.39 -0.61 116.25 113.70 2jyq h VAL 84 Ca -0.08 -0.91 0.09 0.00 -1.23 0.00 0.00 66.70 64.57 2jyq h VAL 84 Cb 0.63 0.50 -0.03 0.00 -2.13 0.00 0.00 31.29 30.26 2jyq h VAL 84 CO 0.13 0.36 0.35 0.00 -1.23 0.00 0.00 177.57 177.18 2jyq h ALA 85 N 1.10 2.06 0.07 5.19 0.00 -1.35 -0.83 119.26 125.50 2jyq h ALA 85 Ca 0.23 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.82 2jyq h ALA 85 Cb 0.32 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2jyq h ALA 85 CO -0.00 -0.17 -1.70 0.98 0.00 0.00 0.00 179.25 178.35 2jyq n TYR 86 N -4.46 1.12 0.94 0.00 9.36 -0.94 -4.21 117.16 118.96 2jyq n TYR 86 Ca 0.08 0.33 0.11 0.00 3.32 0.00 0.00 57.90 61.74 2jyq n TYR 86 Cb 0.36 -1.13 0.52 0.00 -0.63 0.00 0.00 39.34 38.45 2jyq n TYR 86 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2jyq n TYR 87 N -3.91 0.00 0.20 2.98 4.02 -0.27 -0.57 117.16 119.60 2jyq n TYR 87 Ca -0.33 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.66 2jyq n TYR 87 Cb 0.89 -0.36 0.17 0.00 -0.02 0.00 0.00 39.34 40.01 2jyq n TYR 87 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2jyq h SER 88 N 0.00 0.00 0.00 7.72 4.64 -1.32 -1.70 113.55 122.89 2jyq h SER 88 Ca 0.00 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.89 2jyq h SER 88 Cb 0.26 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.28 2jyq h SER 88 CO 0.00 0.13 -2.47 1.17 -0.87 0.00 0.00 176.83 174.79 2jyq n LYS 89 N -3.14 0.57 -3.95 4.77 3.00 -0.15 -4.12 118.16 115.15 2jyq n LYS 89 Ca 0.03 0.22 -0.29 0.00 -0.00 0.00 0.00 58.31 58.28 2jyq n LYS 89 Cb 0.57 -1.45 -0.16 0.00 0.00 0.00 0.00 35.03 33.98 2jyq n LYS 89 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2jyq s HIS 90 N -2.49 1.89 0.37 5.64 3.76 0.26 -4.98 115.29 119.74 2jyq s HIS 90 Ca -0.36 -1.11 0.13 0.00 -0.15 0.00 0.00 55.06 53.57 2jyq s HIS 90 Cb 0.13 -1.42 0.73 0.00 1.11 0.00 0.00 32.58 33.13 2jyq s HIS 90 CO 0.49 -0.62 1.83 0.00 -0.85 0.00 0.00 174.74 175.58 2jyq h ALA 91 N 8.09 1.37 -0.76 -1.40 0.00 -1.82 -3.31 119.26 121.42 2jyq h ALA 91 Ca -0.30 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2jyq h ALA 91 Cb 1.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2jyq h ALA 91 CO 0.45 0.46 0.00 -3.47 0.00 0.00 0.00 179.25 176.69 2jyq n ASP 92 N -4.07 0.00 -0.04 0.00 2.03 -1.26 -1.55 116.55 111.66 2jyq n ASP 92 Ca -0.02 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.15 2jyq n ASP 92 Cb 0.41 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.67 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 -0.75 3.79 0.27 0.00 -1.26 -4.92 105.19 102.32 2jyq n GLY 93 Ca 0.00 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 -6.36 3.14 0.00 0.99 1.02 -0.59 -4.96 118.68 111.92 2jyq s LEU 94 Ca -0.16 1.76 0.20 0.00 0.02 0.00 0.00 54.13 55.94 2jyq s LEU 94 Cb 0.07 -4.52 0.25 0.00 0.02 0.00 0.00 46.19 42.02 2jyq s LEU 94 CO 0.77 -1.70 1.20 0.00 0.02 0.00 0.00 176.35 176.64 2jyq s HIS 96 N -1.49 2.58 0.25 0.00 3.76 -1.26 -5.04 115.29 114.09 2jyq s HIS 96 Ca 0.27 -1.80 -0.30 0.00 -0.15 0.00 0.00 55.06 53.09 2jyq s HIS 96 Cb 0.18 -1.68 -0.09 0.00 1.11 0.00 0.00 32.58 32.09 2jyq s HIS 96 CO 0.25 -0.78 1.31 -0.98 -0.85 0.00 0.00 174.74 173.70 2jyq s ARG 97 N 1.34 4.38 -0.57 1.40 1.70 -1.26 -4.78 118.95 121.16 2jyq s ARG 97 Ca -0.04 2.12 -0.26 0.00 -0.47 0.00 0.00 55.73 57.08 2jyq s ARG 97 Cb -0.18 -3.14 -0.08 0.00 -0.57 0.00 0.00 34.95 30.97 2jyq s ARG 97 CO -0.07 -0.23 2.40 -0.51 -1.08 0.00 0.00 175.30 175.82 2jyq s LEU 98 N -0.73 3.27 -0.18 -1.89 1.43 -0.64 -4.76 118.68 115.19 2jyq s LEU 98 Ca 0.54 0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 54.28 2jyq s LEU 98 Cb -0.38 -2.51 -0.22 0.00 0.03 0.00 0.00 46.19 43.11 2jyq s LEU 98 CO 0.43 -3.12 0.28 0.74 0.23 0.00 0.00 176.35 174.91 2jyq h THR 99 N 7.68 0.85 -3.51 5.49 2.02 -1.64 -3.40 112.91 120.40 2jyq h THR 99 Ca -0.18 -2.24 -0.11 0.00 0.77 0.00 0.00 66.41 64.65 2jyq h THR 99 Cb 1.20 2.33 -0.18 0.00 -1.74 0.00 0.00 68.15 69.77 2jyq h THR 99 CO 1.12 0.50 -0.38 0.54 0.37 0.00 0.00 175.52 177.67 2jyq s ASN 100 N -6.92 0.01 0.31 4.18 4.22 -1.13 -5.03 114.94 110.58 2jyq s ASN 100 Ca -0.26 -0.32 -0.05 0.00 -2.14 0.00 0.00 52.86 50.09 2jyq s ASN 100 Cb 0.06 0.29 -0.05 0.00 1.28 0.00 0.00 41.25 42.83 2jyq s ASN 100 CO 0.65 -0.54 0.58 -0.69 -2.04 0.00 0.00 177.10 175.07 2jyq s VAL 101 N -2.41 5.00 -0.11 3.54 1.01 -1.26 -1.67 120.40 124.50 2jyq s VAL 101 Ca -0.06 0.07 -0.35 0.00 0.00 0.00 0.00 61.98 61.64 2jyq s VAL 101 Cb -0.02 -3.75 -0.12 0.00 0.00 0.00 0.00 36.38 32.49 2jyq s VAL 101 CO -0.03 -0.39 1.86 0.00 0.00 0.00 0.00 175.10 176.55 2jyq s PRO 103 N 3.99 4.45 -0.16 0.00 0.02 -1.26 -5.03 135.00 137.01 2jyq s PRO 103 Ca 0.93 2.07 -0.05 0.00 0.02 0.00 0.00 61.00 63.97 2jyq s PRO 103 Cb -0.73 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 30.63 2jyq s PRO 103 CO 0.53 -0.07 0.01 0.95 -0.33 0.00 0.00 177.00 178.09 2jyq s THR 104 N -1.00 4.34 -0.60 0.99 -4.23 -1.26 -5.01 115.64 108.86 2jyq s THR 104 Ca 0.48 -0.20 -0.27 0.00 -1.18 0.00 0.00 61.69 60.52 2jyq s THR 104 Cb -0.37 -2.91 -0.00 0.00 1.34 0.00 0.00 72.50 70.56 2jyq s THR 104 CO 0.47 0.50 1.61 -0.55 -0.54 0.00 0.00 174.62 176.11 2jyq s SER 105 N 0.17 5.74 0.00 3.99 0.15 -1.26 -5.29 113.70 117.20 2jyq s SER 105 Ca 0.01 0.24 0.11 0.00 0.70 0.00 0.00 55.95 57.01 2jyq s SER 105 Cb -0.13 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.72 2jyq s SER 105 CO 0.02 -2.03 0.83 2.29 1.20 0.00 0.00 173.24 175.55