#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 -2.14 0.26 1.69 0.00 -1.26 -5.14 121.76 115.17 2jyq s ALA 2 Ca 0.00 1.77 -0.29 0.00 0.00 0.00 0.00 51.96 53.44 2jyq s ALA 2 Cb 0.00 -1.56 -0.09 0.00 0.00 0.00 0.00 23.12 21.47 2jyq s ALA 2 CO 0.00 -0.18 1.27 -1.21 0.00 0.00 0.00 175.76 175.63 2jyq s GLU 3 N -0.48 4.43 0.53 0.00 0.41 -1.26 -4.90 118.70 117.43 2jyq s GLU 3 Ca 0.07 2.06 0.25 0.00 -0.41 0.00 0.00 54.97 56.94 2jyq s GLU 3 Cb -0.03 -3.15 1.40 0.00 -1.78 0.00 0.00 34.13 30.58 2jyq s GLU 3 CO -0.10 -0.14 2.01 0.93 -0.49 0.00 0.00 175.26 177.46 2jyq h GLU 4 N 4.36 0.00 0.02 1.61 4.39 -2.01 -1.19 114.58 121.76 2jyq h GLU 4 Ca -0.47 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 58.88 2jyq h GLU 4 Cb 1.22 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.81 2jyq h GLU 4 CO 0.71 0.00 -2.19 -2.67 -1.16 0.00 0.00 179.01 173.70 2jyq n TRP 5 N -4.34 0.44 -2.53 4.33 4.27 -1.26 -4.82 117.44 113.52 2jyq n TRP 5 Ca 0.09 0.13 -0.41 0.00 -3.89 0.00 0.00 57.50 53.42 2jyq n TRP 5 Cb 0.57 -1.07 -0.03 0.00 -1.36 0.00 0.00 31.31 29.42 2jyq n TRP 5 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2jyq s TYR 6 N -2.53 2.41 -0.35 -2.67 5.04 -0.45 -2.24 117.35 116.56 2jyq s TYR 6 Ca -0.17 -0.50 0.21 0.00 -2.44 0.00 0.00 57.07 54.17 2jyq s TYR 6 Cb 0.07 -4.65 0.24 0.00 0.35 0.00 0.00 41.96 37.97 2jyq s TYR 6 CO 0.76 -1.99 1.52 0.74 -1.34 0.00 0.00 175.55 175.24 2jyq h PHE 7 N 10.01 0.00 0.00 4.97 -1.00 -1.60 -3.37 116.94 125.96 2jyq h PHE 7 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2jyq h PHE 7 Cb 1.03 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.59 2jyq h PHE 7 CO 1.22 0.15 0.00 0.41 -1.61 0.00 0.00 178.31 178.48 2jyq n GLY 8 N 1.14 -1.41 2.18 -1.45 0.00 -1.22 -4.41 105.19 100.02 2jyq n GLY 8 Ca 0.03 -1.61 -0.25 0.00 0.00 0.00 0.00 46.02 44.19 2jyq n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jyq n LYS 9 N 0.00 2.77 -2.37 1.61 5.02 -1.26 -0.06 118.16 123.87 2jyq n LYS 9 Ca 0.00 -1.57 -0.32 0.00 -2.02 0.00 0.00 58.31 54.40 2jyq n LYS 9 Cb 0.00 -2.39 -0.03 0.00 -0.02 0.00 0.00 35.03 32.60 2jyq n LYS 9 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2jyq s ILE 10 N 1.69 4.28 0.43 -0.18 -4.36 -1.26 -4.89 121.20 116.92 2jyq s ILE 10 Ca 0.66 1.15 -0.13 0.00 -0.26 0.00 0.00 60.65 62.07 2jyq s ILE 10 Cb 0.24 -3.60 -0.07 0.00 1.25 0.00 0.00 42.46 40.27 2jyq s ILE 10 CO -0.03 -0.57 0.84 0.42 0.24 0.00 0.00 174.94 175.84 2jyq s THR 11 N -2.49 4.68 0.27 8.37 -4.23 -1.26 -4.59 115.64 116.39 2jyq s THR 11 Ca 0.61 0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 61.97 2jyq s THR 11 Cb -0.12 -3.71 0.27 0.00 1.34 0.00 0.00 72.50 70.28 2jyq s THR 11 CO 0.30 -0.54 1.88 0.08 -0.54 0.00 0.00 174.62 175.79 2jyq h ARG 12 N 1.24 1.12 -0.49 3.99 0.11 -1.96 -0.82 114.38 117.57 2jyq h ARG 12 Ca -0.47 -0.07 -0.00 0.00 0.10 0.00 0.00 59.98 59.54 2jyq h ARG 12 Cb 1.19 -0.25 -0.02 0.00 1.11 0.00 0.00 29.97 31.99 2jyq h ARG 12 CO 0.63 0.74 0.29 -0.09 0.10 0.00 0.00 179.97 181.64 2jyq h ARG 13 N 1.15 0.66 -0.64 0.08 9.65 -1.98 0.23 114.38 123.52 2jyq h ARG 13 Ca 0.44 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 59.18 2jyq h ARG 13 Cb 0.21 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 2jyq h ARG 13 CO -0.19 0.46 0.07 0.93 2.80 0.00 0.00 179.97 184.04 2jyq h GLU 14 N 0.67 1.09 -0.14 0.20 5.08 -1.54 0.38 114.58 120.32 2jyq h GLU 14 Ca 0.18 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 2jyq h GLU 14 Cb -0.02 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2jyq h GLU 14 CO -0.03 1.02 -0.01 0.77 -1.00 0.00 0.00 179.01 179.76 2jyq h SER 15 N 1.00 0.25 -0.79 1.42 0.02 -0.82 -2.81 113.55 111.83 2jyq h SER 15 Ca 0.19 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 2jyq h SER 15 Cb 0.49 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 2jyq h SER 15 CO 0.02 0.52 0.31 -0.33 -1.14 0.00 0.00 176.83 176.21 2jyq h GLU 16 N -0.02 1.18 -0.39 3.45 5.08 -0.50 -1.55 114.58 121.84 2jyq h GLU 16 Ca 0.04 -0.22 0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2jyq h GLU 16 Cb 0.40 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2jyq h GLU 16 CO 0.01 0.96 0.27 -0.09 -1.00 0.00 0.00 179.01 179.15 2jyq h ARG 17 N 1.15 0.23 0.19 2.33 2.43 -0.16 0.71 114.38 121.27 2jyq h ARG 17 Ca 0.26 -0.01 -0.35 0.00 -0.81 0.00 0.00 59.98 59.07 2jyq h ARG 17 Cb 0.22 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2jyq h ARG 17 CO -0.02 0.15 -1.72 -0.07 -1.51 0.00 0.00 179.97 176.81 2jyq h LEU 18 N 0.24 0.63 0.00 3.80 3.38 -1.16 -3.38 115.31 118.82 2jyq h LEU 18 Ca 0.17 -0.91 -0.17 0.00 0.09 0.00 0.00 57.88 57.07 2jyq h LEU 18 Cb 0.39 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2jyq h LEU 18 CO -0.03 1.76 -0.85 -0.07 0.09 0.00 0.00 178.44 179.34 2jyq h LEU 19 N 0.11 0.00 -4.08 1.67 3.38 -0.80 -3.34 115.31 112.25 2jyq h LEU 19 Ca -0.33 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.42 2jyq h LEU 19 Cb 2.10 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.79 2jyq h LEU 19 CO 0.19 0.79 -0.08 0.18 0.09 0.00 0.00 178.44 179.61 2jyq n LEU 20 N -3.27 5.44 -3.95 1.67 7.99 0.20 -4.78 117.00 120.30 2jyq n LEU 20 Ca -0.00 -3.24 -0.16 0.00 -0.01 0.00 0.00 56.01 52.60 2jyq n LEU 20 Cb 0.86 -1.42 -0.15 0.00 -0.11 0.00 0.00 43.42 42.61 2jyq n LEU 20 CO 0.44 1.71 -0.40 0.20 -1.51 0.00 0.00 177.39 177.83 2jyq s ASN 21 N 2.02 0.62 0.00 -1.43 0.01 -1.26 -5.01 114.94 109.89 2jyq s ASN 21 Ca 0.67 -0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.72 2jyq s ASN 21 Cb 0.31 -0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.88 2jyq s ASN 21 CO -0.00 0.05 0.49 -0.81 -1.51 0.00 0.00 177.10 175.32 2jyq n PRO 22 N 3.04 0.62 0.00 -0.60 -0.04 -1.26 -2.29 135.00 134.47 2jyq n PRO 22 Ca -0.14 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 2jyq n PRO 22 Cb 0.58 -1.14 0.17 0.00 -0.04 0.00 0.00 33.50 33.07 2jyq n PRO 22 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jyq n GLU 23 N -0.20 1.78 -3.80 0.54 1.02 -1.26 -4.83 120.64 113.89 2jyq n GLU 23 Ca 0.00 -1.38 -0.37 0.00 -0.02 0.00 0.00 57.16 55.39 2jyq n GLU 23 Cb 0.07 -1.47 -0.13 0.00 -0.02 0.00 0.00 31.44 29.89 2jyq n GLU 23 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2jyq s ASN 24 N -2.17 5.05 0.76 1.62 0.01 -0.97 -5.10 114.94 114.14 2jyq s ASN 24 Ca 0.27 -0.93 -0.13 0.00 -0.71 0.00 0.00 52.86 51.36 2jyq s ASN 24 Cb 0.20 -1.83 0.06 0.00 0.41 0.00 0.00 41.25 40.09 2jyq s ASN 24 CO 0.40 -0.24 1.14 -2.16 -1.51 0.00 0.00 177.10 174.74 2jyq s PRO 25 N 1.42 2.06 -0.54 -0.60 0.04 -1.26 -4.85 135.00 131.27 2jyq s PRO 25 Ca 0.00 1.49 -0.26 0.00 0.04 0.00 0.00 61.00 62.27 2jyq s PRO 25 Cb -0.18 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 2jyq s PRO 25 CO 0.01 -1.84 2.24 0.50 0.04 0.00 0.00 177.00 177.96 2jyq s ARG 26 N -4.35 2.24 0.00 4.56 3.52 -1.26 -1.48 118.95 122.19 2jyq s ARG 26 Ca 0.68 1.14 0.00 0.00 -0.13 0.00 0.00 55.73 57.42 2jyq s ARG 26 Cb -0.23 -4.53 0.00 0.00 -1.56 0.00 0.00 34.95 28.63 2jyq s ARG 26 CO 0.50 -3.14 0.00 0.41 -0.81 0.00 0.00 175.30 172.25 2jyq n GLY 27 N 5.93 -0.74 3.69 8.12 0.00 -0.92 -4.94 105.19 116.33 2jyq n GLY 27 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.17 3.92 0.23 2.61 2.01 -0.55 -2.52 115.64 121.17 2jyq s THR 28 Ca 0.00 1.27 0.03 0.00 0.31 0.00 0.00 61.69 63.29 2jyq s THR 28 Cb 0.00 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 2jyq s THR 28 CO 0.00 -0.01 0.01 0.72 -0.69 0.00 0.00 174.62 174.65 2jyq s PHE 29 N 2.46 1.51 -0.19 4.92 -0.71 -0.61 0.35 117.98 125.71 2jyq s PHE 29 Ca 0.61 -0.97 -0.27 0.00 -1.04 0.00 0.00 56.93 55.25 2jyq s PHE 29 Cb -0.29 -0.88 0.07 0.00 -1.21 0.00 0.00 43.02 40.72 2jyq s PHE 29 CO 0.24 -0.11 0.72 -0.48 -1.34 0.00 0.00 175.22 174.25 2jyq s LEU 30 N -3.29 -0.71 -0.30 -1.99 2.34 -0.38 -1.26 118.68 113.11 2jyq s LEU 30 Ca 0.29 1.18 -0.08 0.00 0.06 0.00 0.00 54.13 55.58 2jyq s LEU 30 Cb 0.06 2.47 0.00 0.00 -0.56 0.00 0.00 46.19 48.17 2jyq s LEU 30 CO 0.09 -0.37 0.10 0.54 -1.06 0.00 0.00 176.35 175.64 2jyq s VAL 31 N -0.17 4.16 0.20 1.48 0.11 -0.95 -0.71 120.40 124.52 2jyq s VAL 31 Ca -0.04 -0.58 0.05 0.00 -2.93 0.00 0.00 61.98 58.48 2jyq s VAL 31 Cb -0.03 -3.12 -0.04 0.00 -1.53 0.00 0.00 36.38 31.66 2jyq s VAL 31 CO 0.04 0.10 0.21 0.00 -3.33 0.00 0.00 175.10 172.12 2jyq s ARG 32 N 1.54 3.07 -0.08 1.54 1.70 0.44 -1.92 118.95 125.24 2jyq s ARG 32 Ca 0.03 -0.88 -0.12 0.00 -0.47 0.00 0.00 55.73 54.30 2jyq s ARG 32 Cb -0.17 -2.70 -0.05 0.00 -0.57 0.00 0.00 34.95 31.46 2jyq s ARG 32 CO 0.03 0.45 0.29 -1.21 -1.08 0.00 0.00 175.30 173.79 2jyq s GLU 33 N -3.50 3.83 -0.28 3.89 2.02 0.91 0.10 118.70 125.67 2jyq s GLU 33 Ca 0.33 0.15 -0.27 0.00 0.02 0.00 0.00 54.97 55.20 2jyq s GLU 33 Cb -0.09 -3.26 0.01 0.00 0.10 0.00 0.00 34.13 30.89 2jyq s GLU 33 CO 0.25 0.62 0.94 0.45 0.02 0.00 0.00 175.26 177.54 2jyq s SER 34 N -0.70 6.87 0.22 -0.19 0.15 -1.22 -4.38 113.70 114.44 2jyq s SER 34 Ca 0.19 1.01 -0.08 0.00 0.70 0.00 0.00 55.95 57.78 2jyq s SER 34 Cb -0.14 -2.48 0.17 0.00 -1.71 0.00 0.00 66.02 61.86 2jyq s SER 34 CO 0.08 -0.69 1.81 1.05 1.20 0.00 0.00 173.24 176.69 2jyq h GLU 35 N 7.88 1.21 0.00 5.44 9.09 -1.91 -3.36 114.58 132.92 2jyq h GLU 35 Ca -0.22 -0.19 0.00 0.00 0.05 0.00 0.00 59.36 59.01 2jyq h GLU 35 Cb 1.08 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 27.96 2jyq h GLU 35 CO 0.95 0.94 -0.10 1.79 0.05 0.00 0.00 179.01 182.63 2jyq h THR 36 N 1.19 0.00 -1.28 -1.06 1.35 -1.98 -3.42 112.91 107.71 2jyq h THR 36 Ca 0.28 -0.41 -0.53 0.00 -0.55 0.00 0.00 66.41 65.20 2jyq h THR 36 Cb 0.14 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 66.48 2jyq h THR 36 CO -0.03 0.00 1.28 -0.89 -0.25 0.00 0.00 175.52 175.63 2jyq s THR 37 N -1.37 3.78 0.42 6.82 2.01 -1.26 -4.97 115.64 121.08 2jyq s THR 37 Ca -0.03 -0.46 -0.17 0.00 0.31 0.00 0.00 61.69 61.35 2jyq s THR 37 Cb 0.00 -4.79 -0.09 0.00 0.01 0.00 0.00 72.50 67.63 2jyq s THR 37 CO 0.04 -1.70 0.88 -0.54 -0.69 0.00 0.00 174.62 172.62 2jyq s LYS 38 N 5.56 4.03 0.00 4.92 1.02 -1.26 -3.46 119.74 130.56 2jyq s LYS 38 Ca 0.50 0.87 0.00 0.00 0.02 0.00 0.00 55.97 57.35 2jyq s LYS 38 Cb -0.03 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 2jyq s LYS 38 CO -0.03 -0.05 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 2jyq n GLY 39 N -0.94 0.52 2.97 -3.33 0.00 -1.26 -5.02 105.19 98.13 2jyq n GLY 39 Ca 0.05 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.00 -0.85 0.66 4.61 0.00 -1.22 -1.09 121.76 121.87 2jyq s ALA 40 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 2jyq s ALA 40 Cb 0.00 -1.42 0.10 0.00 0.00 0.00 0.00 23.12 21.80 2jyq s ALA 40 CO 0.00 -1.04 0.92 0.71 0.00 0.00 0.00 175.76 176.35 2jyq s TYR 41 N 2.49 1.96 -0.27 0.00 1.51 0.88 -3.44 117.35 120.48 2jyq s TYR 41 Ca 0.07 -0.21 -0.02 0.00 -1.01 0.00 0.00 57.07 55.89 2jyq s TYR 41 Cb -0.14 -2.88 0.09 0.00 -0.11 0.00 0.00 41.96 38.92 2jyq s TYR 41 CO -0.13 -1.43 0.09 0.00 -1.11 0.00 0.00 175.55 172.97 2jyq s LEU 43 N 1.84 4.36 -0.22 0.00 1.98 0.11 -0.42 118.68 126.34 2jyq s LEU 43 Ca 0.07 -1.67 -0.23 0.00 -2.89 0.00 0.00 54.13 49.40 2jyq s LEU 43 Cb -0.17 -2.47 -0.01 0.00 0.66 0.00 0.00 46.19 44.20 2jyq s LEU 43 CO -0.24 -1.29 0.75 -0.44 -1.89 0.00 0.00 176.35 173.24 2jyq s SER 44 N 4.12 6.77 -0.04 3.68 0.01 0.11 -0.92 113.70 127.43 2jyq s SER 44 Ca 0.37 0.95 0.06 0.00 1.31 0.00 0.00 55.95 58.64 2jyq s SER 44 Cb -0.04 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 2jyq s SER 44 CO -0.07 -0.42 -0.23 0.54 0.41 0.00 0.00 173.24 173.47 2jyq s VAL 45 N 2.48 2.27 -0.21 3.43 0.11 0.63 -1.24 120.40 127.87 2jyq s VAL 45 Ca 0.32 -1.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.07 2jyq s VAL 45 Cb -0.16 -1.82 0.00 0.00 -1.53 0.00 0.00 36.38 32.87 2jyq s VAL 45 CO 0.09 0.58 1.09 -0.55 -3.33 0.00 0.00 175.10 172.98 2jyq s SER 46 N -0.48 7.07 -0.95 3.54 0.15 0.16 -0.03 113.70 123.16 2jyq s SER 46 Ca 0.06 1.46 -0.03 0.00 0.70 0.00 0.00 55.95 58.15 2jyq s SER 46 Cb -0.11 -2.54 0.26 0.00 -1.71 0.00 0.00 66.02 61.92 2jyq s SER 46 CO 0.01 -0.68 1.02 -0.67 1.20 0.00 0.00 173.24 174.12 2jyq n ASP 47 N 6.30 4.97 -4.55 5.45 -0.08 0.19 -2.16 116.55 126.67 2jyq n ASP 47 Ca 0.12 -3.23 -0.39 0.00 -1.51 0.00 0.00 54.79 49.78 2jyq n ASP 47 Cb 0.46 -1.11 -0.03 0.00 2.34 0.00 0.00 41.12 42.77 2jyq n ASP 47 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 2jyq s PHE 48 N -1.89 2.24 0.23 -0.67 5.36 -1.26 -0.57 117.98 121.41 2jyq s PHE 48 Ca 0.31 -0.16 -0.01 0.00 -0.96 0.00 0.00 56.93 56.11 2jyq s PHE 48 Cb -0.01 -4.52 -0.04 0.00 -0.34 0.00 0.00 43.02 38.10 2jyq s PHE 48 CO -0.04 -2.02 0.43 0.34 -1.46 0.00 0.00 175.22 172.47 2jyq s ASP 49 N 5.24 6.39 0.22 6.13 2.15 0.10 -4.69 116.67 132.20 2jyq s ASP 49 Ca 0.47 0.45 0.24 0.00 0.43 0.00 0.00 52.55 54.15 2jyq s ASP 49 Cb -0.05 -2.03 0.47 0.00 -0.30 0.00 0.00 42.92 41.01 2jyq s ASP 49 CO 0.05 -0.08 1.50 -1.13 -0.17 0.00 0.00 175.17 175.33 2jyq h ASN 50 N 1.86 0.00 0.00 -0.34 -0.73 -1.94 -1.99 115.58 112.45 2jyq h ASN 50 Ca -0.48 -0.08 -0.21 0.00 1.87 0.00 0.00 56.30 57.40 2jyq h ASN 50 Cb 1.19 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.75 2jyq h ASN 50 CO 0.67 0.04 -1.76 0.00 -0.37 0.00 0.00 177.43 176.01 2jyq n ALA 51 N -1.90 1.86 0.09 1.57 0.00 -1.26 -4.71 120.51 116.17 2jyq n ALA 51 Ca 0.04 -0.56 -0.19 0.00 0.00 0.00 0.00 53.44 52.73 2jyq n ALA 51 Cb 0.46 0.24 -0.15 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.19 0.35 0.00 0.00 1.57 -1.98 -3.51 116.57 112.82 2jyq h LYS 52 Ca -0.31 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 57.87 2jyq h LYS 52 Cb 1.40 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.93 2jyq h LYS 52 CO -0.11 1.25 0.00 0.41 -0.57 0.00 0.00 179.45 180.43 2jyq n GLY 53 N 1.69 -0.86 3.57 3.86 0.00 -0.75 -4.91 105.19 107.80 2jyq n GLY 53 Ca -0.16 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 2jyq n GLY 53 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jyq s LEU 54 N 0.00 3.40 0.19 0.99 0.05 -1.26 0.00 118.68 122.05 2jyq s LEU 54 Ca 0.00 0.03 0.04 0.00 0.05 0.00 0.00 54.13 54.26 2jyq s LEU 54 Cb 0.00 -3.05 -0.03 0.00 -2.05 0.00 0.00 46.19 41.05 2jyq s LEU 54 CO 0.00 -1.57 0.26 0.20 -0.55 0.00 0.00 176.35 174.69 2jyq s ASN 55 N 3.25 6.03 -0.26 1.48 0.01 0.27 -4.92 114.94 120.80 2jyq s ASN 55 Ca 0.43 0.01 -0.03 0.00 -0.71 0.00 0.00 52.86 52.55 2jyq s ASN 55 Cb -0.08 -1.72 0.02 0.00 0.41 0.00 0.00 41.25 39.88 2jyq s ASN 55 CO 0.24 0.01 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.13 2jyq s VAL 56 N -1.87 3.25 -0.45 1.60 1.01 -1.26 0.57 120.40 123.25 2jyq s VAL 56 Ca 0.33 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 2jyq s VAL 56 Cb -0.10 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.67 2jyq s VAL 56 CO 0.27 0.18 0.59 -0.54 0.00 0.00 0.00 175.10 175.60 2jyq s LYS 57 N 1.39 3.20 -0.68 2.72 1.02 0.96 -4.91 119.74 123.43 2jyq s LYS 57 Ca 0.01 -0.57 -0.21 0.00 0.02 0.00 0.00 55.97 55.22 2jyq s LYS 57 Cb -0.17 -3.98 0.08 0.00 -0.52 0.00 0.00 37.83 33.24 2jyq s LYS 57 CO -0.02 -1.01 0.94 -1.01 -0.92 0.00 0.00 175.35 173.33 2jyq s HIS 58 N 2.61 2.78 -0.55 3.18 3.76 -1.26 -0.27 115.29 125.54 2jyq s HIS 58 Ca 0.18 -0.72 -0.20 0.00 -0.15 0.00 0.00 55.06 54.17 2jyq s HIS 58 Cb -0.16 -4.25 0.07 0.00 1.11 0.00 0.00 32.58 29.35 2jyq s HIS 58 CO 0.16 -1.58 0.73 0.71 -0.85 0.00 0.00 174.74 173.92 2jyq s TYR 59 N 3.67 2.96 0.02 1.40 2.02 -0.10 -4.91 117.35 122.41 2jyq s TYR 59 Ca 0.22 -0.58 -0.30 0.00 -0.37 0.00 0.00 57.07 56.03 2jyq s TYR 59 Cb -0.16 -3.82 -0.06 0.00 -0.40 0.00 0.00 41.96 37.51 2jyq s TYR 59 CO 0.07 -1.22 1.43 -1.59 -1.57 0.00 0.00 175.55 172.68 2jyq s LYS 60 N 2.99 4.28 -0.79 -0.62 -2.85 -1.26 0.10 119.74 121.58 2jyq s LYS 60 Ca 0.17 2.03 -0.19 0.00 -1.00 0.00 0.00 55.97 56.98 2jyq s LYS 60 Cb -0.19 -3.54 0.13 0.00 -2.06 0.00 0.00 37.83 32.16 2jyq s LYS 60 CO 0.11 -0.58 0.95 0.42 0.10 0.00 0.00 175.35 176.35 2jyq s ILE 61 N 2.28 4.81 0.46 3.79 1.01 0.12 -4.56 121.20 129.13 2jyq s ILE 61 Ca 0.65 -1.38 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 2jyq s ILE 61 Cb -0.33 -4.65 -0.07 0.00 0.01 0.00 0.00 42.46 37.42 2jyq s ILE 61 CO 0.28 -1.35 0.87 -0.13 0.00 0.00 0.00 174.94 174.61 2jyq s ARG 62 N 2.55 3.83 0.02 2.79 0.52 -0.30 -0.09 118.95 128.26 2jyq s ARG 62 Ca 0.24 0.67 0.01 0.00 -0.52 0.00 0.00 55.73 56.13 2jyq s ARG 62 Cb -0.12 -2.27 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 2jyq s ARG 62 CO -0.03 -0.17 0.06 0.15 0.02 0.00 0.00 175.30 175.34 2jyq s LYS 63 N -4.06 2.95 0.00 3.54 1.02 -0.25 -0.56 119.74 122.38 2jyq s LYS 63 Ca 0.54 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.96 2jyq s LYS 63 Cb -0.10 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 2jyq s LYS 63 CO 0.33 0.62 0.05 1.28 -0.92 0.00 0.00 175.35 176.71 2jyq n LEU 64 N 1.01 1.19 0.00 3.17 4.77 -0.42 -4.98 117.00 121.74 2jyq n LEU 64 Ca -0.12 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2jyq n LEU 64 Cb 0.52 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2jyq n LEU 64 CO 0.39 -0.29 0.00 -0.90 -1.33 0.00 0.00 177.39 175.26 2jyq n ASP 65 N -1.37 0.00 0.00 -1.43 5.75 -1.26 -4.95 116.55 113.29 2jyq n ASP 65 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2jyq n ASP 65 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2jyq n ASP 65 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2jyq n SER 66 N 0.00 0.78 -0.16 -1.12 3.41 -1.26 -4.86 113.62 110.41 2jyq n SER 66 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 2jyq n SER 66 Cb 0.00 0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 2jyq n SER 66 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2jyq h GLY 67 N 0.00 0.71 0.00 5.00 0.00 -1.98 -3.49 103.07 103.31 2jyq h GLY 67 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2jyq h GLY 67 CO 0.00 0.31 0.00 0.61 0.00 0.00 0.00 176.54 177.46 2jyq n GLY 68 N -1.03 0.41 3.67 4.60 0.00 -1.26 -4.04 105.19 107.55 2jyq n GLY 68 Ca 0.02 -1.33 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 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 -4.00 2.91 -0.15 1.61 0.40 0.15 -1.31 117.98 117.60 2jyq s PHE 69 Ca 0.00 -0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.13 2jyq s PHE 69 Cb 0.00 -1.46 0.05 0.00 0.51 0.00 0.00 43.02 42.11 2jyq s PHE 69 CO 0.00 0.49 0.38 1.52 0.70 0.00 0.00 175.22 178.31 2jyq s TYR 70 N -1.49 -0.47 -0.14 0.36 1.13 0.28 -0.46 117.35 116.54 2jyq s TYR 70 Ca 0.26 1.09 0.19 0.00 -1.41 0.00 0.00 57.07 57.20 2jyq s TYR 70 Cb -0.11 0.18 -0.13 0.00 -1.10 0.00 0.00 41.96 40.80 2jyq s TYR 70 CO 0.18 -0.25 0.78 -0.89 -2.51 0.00 0.00 175.55 172.86 2jyq n ILE 71 N 3.46 0.93 -3.77 -3.49 5.41 -1.26 -1.15 119.36 119.49 2jyq n ILE 71 Ca -0.18 -0.65 -0.13 0.00 1.00 0.00 0.00 62.75 62.80 2jyq n ILE 71 Cb 0.56 -0.54 -0.10 0.00 -0.71 0.00 0.00 39.64 38.86 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 -3.07 0.04 0.40 1.39 -1.32 -1.26 -4.92 115.64 106.90 2jyq s THR 72 Ca -0.03 -0.29 0.36 0.00 -1.21 0.00 0.00 61.69 60.51 2jyq s THR 72 Cb 0.09 -0.52 0.38 0.00 -1.51 0.00 0.00 72.50 70.95 2jyq s THR 72 CO 0.82 -0.16 2.15 0.28 -2.21 0.00 0.00 174.62 175.50 2jyq h SER 73 N 4.68 0.00 0.05 8.08 0.02 -2.01 -1.66 113.55 122.71 2jyq h SER 73 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2jyq h SER 73 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2jyq h SER 73 CO 0.36 0.03 -0.03 -2.11 -1.14 0.00 0.00 176.83 173.95 2jyq n ARG 74 N -3.25 1.31 -3.44 3.45 1.85 -1.26 -4.67 116.66 110.65 2jyq n ARG 74 Ca -0.01 -0.57 -0.16 0.00 -1.00 0.00 0.00 57.85 56.11 2jyq n ARG 74 Cb 0.20 -1.49 -0.11 0.00 -1.05 0.00 0.00 32.46 30.01 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 -2.09 -0.41 -0.07 8.89 2.01 -0.63 -5.14 115.64 118.21 2jyq s THR 75 Ca 0.39 -0.15 0.05 0.00 0.31 0.00 0.00 61.69 62.29 2jyq s THR 75 Cb 0.21 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.96 2jyq s THR 75 CO 0.37 -0.22 -0.24 -1.10 -0.69 0.00 0.00 174.62 172.74 2jyq s GLN 76 N 2.39 2.68 -0.07 4.92 -0.21 -1.26 -4.19 119.66 123.92 2jyq s GLN 76 Ca 0.09 -0.88 0.04 0.00 0.02 0.00 0.00 55.36 54.63 2jyq s GLN 76 Cb -0.15 -2.18 -0.00 0.00 1.00 0.00 0.00 33.01 31.68 2jyq s GLN 76 CO -0.16 0.30 -0.21 -0.06 -2.12 0.00 0.00 175.29 173.05 2jyq s PHE 77 N 0.02 2.12 -2.00 0.91 0.08 0.39 -4.94 117.98 114.57 2jyq s PHE 77 Ca -0.09 -0.73 0.21 0.00 0.12 0.00 0.00 56.93 56.44 2jyq s PHE 77 Cb -0.15 -1.43 1.23 0.00 -0.57 0.00 0.00 43.02 42.10 2jyq s PHE 77 CO 0.05 -0.27 1.77 0.43 -0.10 0.00 0.00 175.22 177.10 2jyq n SER 78 N 3.31 0.00 -3.71 1.36 7.64 -1.26 0.30 113.62 121.26 2jyq n SER 78 Ca -0.19 -1.30 -0.11 0.00 1.01 0.00 0.00 58.87 58.27 2jyq n SER 78 Cb 0.52 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.67 -0.46 0.49 6.43 0.01 -1.26 -4.83 113.70 112.42 2jyq s SER 79 Ca 0.31 0.82 0.25 0.00 1.31 0.00 0.00 55.95 58.63 2jyq s SER 79 Cb 0.14 0.73 1.27 0.00 0.21 0.00 0.00 66.02 68.37 2jyq s SER 79 CO 0.24 -0.17 2.00 -0.07 0.41 0.00 0.00 173.24 175.65 2jyq h LEU 80 N 6.72 0.00 -0.27 2.44 3.38 -1.98 -1.76 115.31 123.84 2jyq h LEU 80 Ca -0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 2jyq h LEU 80 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2jyq h LEU 80 CO 0.30 0.16 0.12 -0.61 0.09 0.00 0.00 178.44 178.50 2jyq h GLN 81 N 0.00 0.39 -0.12 1.13 -0.00 -1.98 -1.87 115.11 112.66 2jyq h GLN 81 Ca -0.00 -0.06 -0.08 0.00 -0.00 0.00 0.00 58.65 58.51 2jyq h GLN 81 Cb 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.84 2jyq h GLN 81 CO 0.02 0.40 -0.27 1.96 0.00 0.00 0.00 178.83 180.93 2jyq h GLN 82 N 0.29 0.22 0.31 1.69 1.08 -1.85 -2.31 115.11 114.55 2jyq h GLN 82 Ca 0.09 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2jyq h GLN 82 Cb 0.14 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2jyq h GLN 82 CO -0.01 0.49 -0.20 1.25 -0.95 0.00 0.00 178.83 179.40 2jyq h LEU 83 N 0.20 -0.52 -0.54 1.46 7.12 -0.84 -2.49 115.31 119.69 2jyq h LEU 83 Ca 0.03 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.05 2jyq h LEU 83 Cb 0.60 0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.86 2jyq h LEU 83 CO 0.04 -0.31 0.25 -0.37 -0.13 0.00 0.00 178.44 177.93 2jyq h VAL 84 N -0.49 1.20 -0.81 1.05 -1.51 -1.37 -1.82 116.25 112.51 2jyq h VAL 84 Ca -0.04 -0.59 0.13 0.00 -1.23 0.00 0.00 66.70 64.97 2jyq h VAL 84 Cb 0.39 0.59 -0.09 0.00 -2.13 0.00 0.00 31.29 30.06 2jyq h VAL 84 CO 0.04 0.23 0.41 0.00 -1.23 0.00 0.00 177.57 177.02 2jyq h ALA 85 N 1.09 1.19 0.03 5.19 0.00 -1.46 0.89 119.26 126.19 2jyq h ALA 85 Ca 0.18 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 2jyq h ALA 85 Cb 0.13 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jyq h ALA 85 CO -0.02 -0.07 -0.73 -0.92 0.00 0.00 0.00 179.25 177.51 2jyq h TYR 86 N 0.62 0.67 0.00 0.00 3.20 -1.20 -3.22 116.97 117.05 2jyq h TYR 86 Ca 0.43 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2jyq h TYR 86 Cb 0.56 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.76 2jyq h TYR 86 CO -0.10 1.23 0.00 0.66 -1.64 0.00 0.00 178.16 178.31 2jyq n TYR 87 N -4.13 0.00 0.20 -3.82 4.02 -0.71 -1.20 117.16 111.52 2jyq n TYR 87 Ca -0.11 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.83 2jyq n TYR 87 Cb 0.74 -0.45 0.43 0.00 -0.02 0.00 0.00 39.34 40.04 2jyq n TYR 87 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2jyq h SER 88 N 0.00 0.00 0.00 7.72 0.02 -0.85 0.12 113.55 120.56 2jyq h SER 88 Ca 0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 2jyq h SER 88 Cb 0.24 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 2jyq h SER 88 CO 0.00 0.31 -2.20 0.29 -1.14 0.00 0.00 176.83 174.09 2jyq n LYS 89 N -3.93 0.46 -3.83 3.45 4.76 -0.43 -3.89 118.16 114.75 2jyq n LYS 89 Ca -0.02 0.19 -0.36 0.00 -2.87 0.00 0.00 58.31 55.25 2jyq n LYS 89 Cb 0.38 -1.29 -0.13 0.00 -1.84 0.00 0.00 35.03 32.15 2jyq n LYS 89 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2jyq s HIS 90 N -2.40 3.09 0.13 2.13 3.76 -0.34 -4.88 115.29 116.78 2jyq s HIS 90 Ca -0.30 -1.03 -0.08 0.00 -0.15 0.00 0.00 55.06 53.50 2jyq s HIS 90 Cb 0.11 -2.18 -0.07 0.00 1.11 0.00 0.00 32.58 31.55 2jyq s HIS 90 CO 0.39 -0.58 1.36 0.00 -0.85 0.00 0.00 174.74 175.06 2jyq h ALA 91 N 8.16 0.42 -0.85 -1.40 0.00 -1.84 -3.31 119.26 120.44 2jyq h ALA 91 Ca -0.34 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2jyq h ALA 91 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jyq h ALA 91 CO 0.59 0.71 0.00 -3.47 0.00 0.00 0.00 179.25 177.09 2jyq n ASP 92 N -3.90 0.00 0.01 0.00 -0.08 -1.26 -1.81 116.55 109.50 2jyq n ASP 92 Ca -0.06 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.00 2jyq n ASP 92 Cb 0.73 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 44.05 2jyq n ASP 92 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2jyq h GLY 93 N 0.00 0.30 -2.21 0.27 0.00 -1.94 -3.47 103.07 96.03 2jyq h GLY 93 Ca 0.00 -0.77 -0.52 0.00 0.00 0.00 0.00 47.33 46.04 2jyq h GLY 93 CO 0.00 0.67 0.47 1.08 0.00 0.00 0.00 176.54 178.76 2jyq s LEU 94 N -7.11 3.75 0.38 3.11 1.02 -0.75 -4.93 118.68 114.14 2jyq s LEU 94 Ca -0.22 2.32 0.26 0.00 0.02 0.00 0.00 54.13 56.51 2jyq s LEU 94 Cb 0.06 -4.53 0.76 0.00 0.02 0.00 0.00 46.19 42.51 2jyq s LEU 94 CO 0.77 -1.37 1.75 0.00 0.02 0.00 0.00 176.35 177.51 2jyq s HIS 96 N -3.29 0.87 0.58 0.00 3.76 -1.26 -5.04 115.29 110.91 2jyq s HIS 96 Ca 0.06 -0.23 -0.18 0.00 -0.15 0.00 0.00 55.06 54.56 2jyq s HIS 96 Cb 0.08 -0.66 -0.04 0.00 1.11 0.00 0.00 32.58 33.07 2jyq s HIS 96 CO 0.59 -0.13 1.14 -0.98 -0.85 0.00 0.00 174.74 174.51 2jyq s ARG 97 N 0.41 3.14 -1.04 1.40 1.70 -1.26 -4.76 118.95 118.54 2jyq s ARG 97 Ca -0.06 1.59 -0.24 0.00 -0.47 0.00 0.00 55.73 56.55 2jyq s ARG 97 Cb -0.10 -1.98 -0.09 0.00 -0.57 0.00 0.00 34.95 32.21 2jyq s ARG 97 CO 0.01 -1.01 2.00 -0.51 -1.08 0.00 0.00 175.30 174.71 2jyq s LEU 98 N -4.12 2.99 -0.05 -1.89 1.43 0.42 -4.76 118.68 112.71 2jyq s LEU 98 Ca 0.72 -1.08 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 2jyq s LEU 98 Cb -0.24 -2.58 -0.08 0.00 0.03 0.00 0.00 46.19 43.32 2jyq s LEU 98 CO 0.32 -3.24 0.56 0.74 0.23 0.00 0.00 176.35 174.95 2jyq h THR 99 N 6.76 0.19 -3.90 5.49 2.02 -1.70 -3.38 112.91 118.39 2jyq h THR 99 Ca 0.13 -0.81 -0.20 0.00 0.77 0.00 0.00 66.41 66.31 2jyq h THR 99 Cb 0.97 0.33 -0.23 0.00 -1.74 0.00 0.00 68.15 67.48 2jyq h THR 99 CO 1.17 0.05 -0.71 0.54 0.37 0.00 0.00 175.52 176.95 2jyq s ASN 100 N -5.17 0.20 0.25 4.18 4.22 -1.18 -5.04 114.94 112.40 2jyq s ASN 100 Ca -0.08 -0.35 -0.12 0.00 -2.14 0.00 0.00 52.86 50.18 2jyq s ASN 100 Cb 0.01 0.06 -0.08 0.00 1.28 0.00 0.00 41.25 42.52 2jyq s ASN 100 CO 0.25 -0.20 0.60 -0.69 -2.04 0.00 0.00 177.10 175.02 2jyq s VAL 101 N -1.00 4.85 -0.06 3.54 1.01 -1.26 -1.57 120.40 125.91 2jyq s VAL 101 Ca -0.11 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.23 2jyq s VAL 101 Cb -0.07 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 2jyq s VAL 101 CO -0.01 -0.07 1.73 0.00 0.00 0.00 0.00 175.10 176.76 2jyq s PRO 103 N 4.27 4.46 -0.37 0.00 0.04 -1.26 -4.99 135.00 137.15 2jyq s PRO 103 Ca 0.77 1.95 -0.28 0.00 0.04 0.00 0.00 61.00 63.48 2jyq s PRO 103 Cb -0.34 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.01 2jyq s PRO 103 CO 0.32 -0.12 1.03 0.95 0.04 0.00 0.00 177.00 179.22 2jyq s THR 104 N -0.19 4.47 -0.09 1.26 -4.23 -1.26 -5.01 115.64 110.59 2jyq s THR 104 Ca 0.53 1.40 0.00 0.00 -1.18 0.00 0.00 61.69 62.44 2jyq s THR 104 Cb -0.34 -4.42 0.02 0.00 1.34 0.00 0.00 72.50 69.10 2jyq s THR 104 CO 0.39 -0.62 -0.07 -0.55 -0.54 0.00 0.00 174.62 173.23 2jyq s SER 105 N 1.92 1.84 0.00 3.99 0.15 -1.26 -5.33 113.70 115.02 2jyq s SER 105 Ca 0.43 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.83 2jyq s SER 105 Cb -0.11 -0.73 0.00 0.00 -1.71 0.00 0.00 66.02 63.47 2jyq s SER 105 CO 0.20 -0.09 0.00 0.29 1.20 0.00 0.00 173.24 174.85