#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 -2.78 -1.78 2.61 0.00 -1.26 -5.15 120.51 112.16 2jyq n ALA 2 Ca 0.00 -0.38 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 2jyq n ALA 2 Cb 0.00 -1.76 -0.00 0.00 0.00 0.00 0.00 19.45 17.68 2jyq n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jyq s GLU 3 N 0.02 4.12 0.31 0.00 0.41 -1.26 -4.88 118.70 117.42 2jyq s GLU 3 Ca 0.08 2.48 0.05 0.00 -0.41 0.00 0.00 54.97 57.18 2jyq s GLU 3 Cb 0.13 -2.96 0.70 0.00 -1.78 0.00 0.00 34.13 30.23 2jyq s GLU 3 CO -0.08 -0.49 1.81 0.93 -0.49 0.00 0.00 175.26 176.94 2jyq h GLU 4 N 3.01 0.79 -0.21 1.61 4.39 -2.03 -1.81 114.58 120.34 2jyq h GLU 4 Ca -0.50 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.07 2jyq h GLU 4 Cb 1.24 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 2jyq h GLU 4 CO 0.64 0.53 -0.20 0.11 -1.16 0.00 0.00 179.01 178.93 2jyq h TRP 5 N 0.82 0.40 -2.48 4.33 5.08 -1.94 -3.39 115.95 118.76 2jyq h TRP 5 Ca 0.54 -0.07 -0.58 0.00 1.08 0.00 0.00 58.89 59.86 2jyq h TRP 5 Cb 0.76 -0.10 -0.11 0.00 -3.00 0.00 0.00 29.16 26.71 2jyq h TRP 5 CO -0.00 0.55 0.84 -0.47 -1.28 0.00 0.00 178.44 178.08 2jyq s TYR 6 N -4.59 2.45 -0.19 0.12 5.04 -0.68 -1.55 117.35 117.95 2jyq s TYR 6 Ca -0.06 -0.27 0.17 0.00 -2.44 0.00 0.00 57.07 54.47 2jyq s TYR 6 Cb 0.14 -4.49 0.04 0.00 0.35 0.00 0.00 41.96 38.01 2jyq s TYR 6 CO 0.76 -1.90 1.26 0.74 -1.34 0.00 0.00 175.55 175.08 2jyq h PHE 7 N 9.83 0.00 0.00 4.97 -1.00 -1.67 -3.45 116.94 125.62 2jyq h PHE 7 Ca -0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.50 2jyq h PHE 7 Cb 1.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.62 2jyq h PHE 7 CO 1.06 0.41 0.00 0.41 -1.61 0.00 0.00 178.31 178.58 2jyq n GLY 8 N 1.25 -1.02 3.42 -1.45 0.00 -1.25 -4.79 105.19 101.36 2jyq n GLY 8 Ca -0.01 -2.13 -0.44 0.00 0.00 0.00 0.00 46.02 43.44 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 3.33 -3.80 1.61 2.85 -1.26 -1.04 118.16 119.85 2jyq n LYS 9 Ca 0.00 -3.62 -0.31 0.00 -1.05 0.00 0.00 58.31 53.32 2jyq n LYS 9 Cb 0.00 -3.16 -0.04 0.00 -0.65 0.00 0.00 35.03 31.17 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 2.24 5.28 0.90 0.58 -4.36 -1.25 -4.86 121.20 119.74 2jyq s ILE 10 Ca 0.46 -0.17 -0.13 0.00 -0.26 0.00 0.00 60.65 60.55 2jyq s ILE 10 Cb 0.01 -3.62 0.13 0.00 1.25 0.00 0.00 42.46 40.23 2jyq s ILE 10 CO 0.02 0.10 1.16 0.42 0.24 0.00 0.00 174.94 176.88 2jyq s THR 11 N -1.57 1.98 0.14 8.37 -4.23 -1.26 -4.75 115.64 114.32 2jyq s THR 11 Ca 0.38 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.71 2jyq s THR 11 Cb -0.13 -2.83 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 2jyq s THR 11 CO 0.26 0.00 1.76 0.03 -0.54 0.00 0.00 174.62 176.13 2jyq h ARG 12 N -1.44 0.26 -0.87 3.99 3.08 -1.98 -1.11 114.38 116.31 2jyq h ARG 12 Ca -0.49 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.62 2jyq h ARG 12 Cb 1.32 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 31.25 2jyq h ARG 12 CO 0.60 0.17 0.54 0.00 -1.07 0.00 0.00 179.97 180.21 2jyq h ARG 13 N 0.27 0.93 0.21 0.04 3.08 -1.98 0.26 114.38 117.19 2jyq h ARG 13 Ca 0.12 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2jyq h ARG 13 Cb 0.06 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2jyq h ARG 13 CO -0.10 0.62 -0.10 0.93 -1.07 0.00 0.00 179.97 180.24 2jyq h GLU 14 N 0.96 -0.27 0.46 0.04 5.08 -1.86 -2.51 114.58 116.49 2jyq h GLU 14 Ca 0.39 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 2jyq h GLU 14 Cb 0.22 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2jyq h GLU 14 CO -0.19 0.03 -0.22 0.77 -1.00 0.00 0.00 179.01 178.40 2jyq h SER 15 N -0.57 -0.53 1.04 1.42 0.02 -0.63 -2.83 113.55 111.48 2jyq h SER 15 Ca -0.03 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2jyq h SER 15 Cb 0.42 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 2jyq h SER 15 CO 0.05 -0.30 -0.15 -0.33 -1.14 0.00 0.00 176.83 174.96 2jyq h GLU 16 N -0.73 0.00 0.00 3.45 5.08 -0.64 -1.49 114.58 120.26 2jyq h GLU 16 Ca -0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2jyq h GLU 16 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2jyq h GLU 16 CO 0.10 0.15 -0.26 -0.09 -1.00 0.00 0.00 179.01 177.91 2jyq h ARG 17 N 0.00 0.00 0.00 2.33 9.65 -1.36 0.20 114.38 125.20 2jyq h ARG 17 Ca -0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 2jyq h ARG 17 Cb 0.71 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.28 2jyq h ARG 17 CO 0.02 0.26 -1.00 -0.07 2.80 0.00 0.00 179.97 181.98 2jyq h LEU 18 N 0.00 0.00 0.01 3.80 3.38 -1.11 -3.37 115.31 118.02 2jyq h LEU 18 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2jyq h LEU 18 Cb 1.02 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 2jyq h LEU 18 CO 0.03 0.16 -2.00 0.18 0.09 0.00 0.00 178.44 176.90 2jyq n LEU 19 N -2.78 0.96 -2.47 1.67 4.77 -0.63 -4.38 117.00 114.14 2jyq n LEU 19 Ca -0.02 0.23 -0.19 0.00 -0.03 0.00 0.00 56.01 56.00 2jyq n LEU 19 Cb 0.62 0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.65 2jyq n LEU 19 CO 0.40 0.52 2.04 0.18 -1.33 0.00 0.00 177.39 179.20 2jyq n LEU 20 N -3.02 5.68 -4.37 2.23 7.99 0.68 -4.80 117.00 121.38 2jyq n LEU 20 Ca -0.26 -3.24 -0.33 0.00 -0.01 0.00 0.00 56.01 52.18 2jyq n LEU 20 Cb 1.08 -1.31 -0.14 0.00 -0.11 0.00 0.00 43.42 42.93 2jyq n LEU 20 CO 0.43 1.53 -0.44 0.20 -1.51 0.00 0.00 177.39 177.60 2jyq s ASN 21 N 2.25 4.08 0.15 -1.43 0.01 -1.26 -4.98 114.94 113.75 2jyq s ASN 21 Ca 0.60 -0.32 0.11 0.00 -0.71 0.00 0.00 52.86 52.54 2jyq s ASN 21 Cb 0.24 -1.63 0.56 0.00 0.41 0.00 0.00 41.25 40.83 2jyq s ASN 21 CO -0.02 0.15 1.33 -2.65 -1.51 0.00 0.00 177.10 174.40 2jyq n PRO 22 N 3.65 0.07 0.05 -0.60 -0.02 -1.26 -1.26 135.00 135.63 2jyq n PRO 22 Ca -0.18 0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 61.71 2jyq n PRO 22 Cb 0.52 -1.71 -0.14 0.00 -0.02 0.00 0.00 33.50 32.16 2jyq n PRO 22 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2jyq h GLU 23 N 0.00 0.16 -6.17 -0.52 4.39 -1.94 -3.46 114.58 107.04 2jyq h GLU 23 Ca 0.00 -0.28 -0.64 0.00 0.34 0.00 0.00 59.36 58.79 2jyq h GLU 23 Cb 0.03 0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2jyq h GLU 23 CO 0.00 1.01 1.19 0.09 -1.16 0.00 0.00 179.01 180.15 2jyq n ASN 24 N -3.38 3.07 -4.82 1.42 4.13 -0.39 -4.95 115.26 110.34 2jyq n ASN 24 Ca -0.12 0.78 -0.33 0.00 1.68 0.00 0.00 54.58 56.59 2jyq n ASN 24 Cb 1.02 -1.35 -0.05 0.00 -1.54 0.00 0.00 39.78 37.86 2jyq n ASN 24 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2jyq s PRO 25 N 4.74 4.04 -0.16 3.52 0.04 -1.26 -4.96 135.00 140.97 2jyq s PRO 25 Ca 0.98 1.12 -0.33 0.00 0.04 0.00 0.00 61.00 62.80 2jyq s PRO 25 Cb -0.72 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.57 2jyq s PRO 25 CO 0.51 -0.19 2.01 -2.13 0.04 0.00 0.00 177.00 177.23 2jyq n ARG 26 N -1.01 1.97 0.00 4.56 0.63 -1.26 -1.95 116.66 119.61 2jyq n ARG 26 Ca 0.07 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 2jyq n ARG 26 Cb 0.54 -2.74 0.00 0.00 0.45 0.00 0.00 32.46 30.70 2jyq n ARG 26 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jyq n GLY 27 N 5.07 0.84 3.67 5.14 0.00 -1.15 -4.90 105.19 113.86 2jyq n GLY 27 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.65 4.05 0.10 2.61 2.01 -0.82 -1.67 115.64 120.28 2jyq s THR 28 Ca 0.00 1.33 0.02 0.00 0.31 0.00 0.00 61.69 63.35 2jyq s THR 28 Cb 0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2jyq s THR 28 CO 0.00 -0.08 -0.07 0.72 -0.69 0.00 0.00 174.62 174.50 2jyq s PHE 29 N 3.17 0.95 -0.21 4.92 -0.71 -0.03 0.63 117.98 126.70 2jyq s PHE 29 Ca 0.60 -0.85 -0.18 0.00 -1.04 0.00 0.00 56.93 55.46 2jyq s PHE 29 Cb -0.26 -0.54 0.06 0.00 -1.21 0.00 0.00 43.02 41.07 2jyq s PHE 29 CO 0.21 -0.10 0.56 -0.48 -1.34 0.00 0.00 175.22 174.07 2jyq s LEU 30 N -2.94 -0.24 -0.35 -1.99 2.34 -0.89 -0.10 118.68 114.51 2jyq s LEU 30 Ca 0.11 1.15 -0.13 0.00 0.06 0.00 0.00 54.13 55.31 2jyq s LEU 30 Cb 0.03 1.91 -0.01 0.00 -0.56 0.00 0.00 46.19 47.56 2jyq s LEU 30 CO -0.03 -0.20 0.26 0.54 -1.06 0.00 0.00 176.35 175.86 2jyq s VAL 31 N 0.62 5.27 0.27 1.48 0.11 -0.60 -1.63 120.40 125.93 2jyq s VAL 31 Ca -0.03 -0.27 0.10 0.00 -2.93 0.00 0.00 61.98 58.86 2jyq s VAL 31 Cb -0.05 -3.76 -0.05 0.00 -1.53 0.00 0.00 36.38 31.00 2jyq s VAL 31 CO -0.04 -0.07 -0.06 0.00 -3.33 0.00 0.00 175.10 171.61 2jyq s ARG 32 N 1.74 2.11 -0.12 1.54 1.70 -0.77 -2.35 118.95 122.80 2jyq s ARG 32 Ca 0.06 -1.53 -0.07 0.00 -0.47 0.00 0.00 55.73 53.72 2jyq s ARG 32 Cb -0.18 -2.04 -0.04 0.00 -0.57 0.00 0.00 34.95 32.12 2jyq s ARG 32 CO 0.11 0.35 0.15 -2.00 -1.08 0.00 0.00 175.30 172.82 2jyq s GLU 33 N -3.63 3.47 -0.33 3.89 2.12 -0.21 0.43 118.70 124.45 2jyq s GLU 33 Ca 0.31 -0.11 -0.13 0.00 0.36 0.00 0.00 54.97 55.40 2jyq s GLU 33 Cb -0.06 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.12 2jyq s GLU 33 CO 0.18 0.77 0.23 -1.12 -0.54 0.00 0.00 175.26 174.78 2jyq s SER 34 N -1.00 6.05 0.45 -1.70 0.01 0.03 -3.74 113.70 113.80 2jyq s SER 34 Ca 0.15 -0.39 0.31 0.00 1.31 0.00 0.00 55.95 57.33 2jyq s SER 34 Cb -0.12 -2.13 1.52 0.00 0.21 0.00 0.00 66.02 65.50 2jyq s SER 34 CO 0.04 -0.22 1.94 -0.33 0.41 0.00 0.00 173.24 175.08 2jyq h GLU 35 N 8.48 0.00 0.00 12.44 3.07 -1.91 -0.35 114.58 136.30 2jyq h GLU 35 Ca -0.32 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.54 2jyq h GLU 35 Cb 1.16 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2jyq h GLU 35 CO 0.63 0.00 -0.02 0.00 -1.40 0.00 0.00 179.01 178.22 2jyq h THR 36 N 0.00 0.23 -1.79 1.13 1.03 -1.94 -3.36 112.91 108.21 2jyq h THR 36 Ca 0.00 -0.11 -0.20 0.00 -0.01 0.00 0.00 66.41 66.09 2jyq h THR 36 Cb 0.19 1.09 -0.29 0.00 -1.07 0.00 0.00 68.15 68.06 2jyq h THR 36 CO 0.00 0.02 -0.53 -0.89 -0.01 0.00 0.00 175.52 174.10 2jyq s THR 37 N -4.26 -0.61 -0.21 0.00 2.01 -0.14 -5.11 115.64 107.32 2jyq s THR 37 Ca -0.04 -0.27 -0.32 0.00 0.31 0.00 0.00 61.69 61.36 2jyq s THR 37 Cb 0.13 -0.96 -0.09 0.00 0.01 0.00 0.00 72.50 71.60 2jyq s THR 37 CO 0.48 -0.27 2.10 1.17 -0.69 0.00 0.00 174.62 177.42 2jyq n LYS 38 N 5.35 1.77 0.00 4.92 4.81 -1.25 -0.46 118.16 133.30 2jyq n LYS 38 Ca -0.00 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 2jyq n LYS 38 Cb 0.49 -2.81 0.00 0.00 0.02 0.00 0.00 35.03 32.74 2jyq n LYS 38 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jyq n GLY 39 N 5.58 0.50 3.50 3.14 0.00 -1.26 -5.05 105.19 111.59 2jyq n GLY 39 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 3.49 0.34 4.61 0.00 0.39 -4.63 121.76 123.97 2jyq s ALA 40 Ca 0.00 -1.53 0.03 0.00 0.00 0.00 0.00 51.96 50.45 2jyq s ALA 40 Cb 0.00 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.33 2jyq s ALA 40 CO 0.00 -1.19 0.52 0.71 0.00 0.00 0.00 175.76 175.80 2jyq s TYR 41 N 1.70 3.36 -0.12 0.00 2.02 0.20 -0.79 117.35 123.73 2jyq s TYR 41 Ca 0.06 0.14 -0.01 0.00 -0.37 0.00 0.00 57.07 56.88 2jyq s TYR 41 Cb -0.18 -1.93 0.03 0.00 -0.40 0.00 0.00 41.96 39.49 2jyq s TYR 41 CO 0.10 0.07 -0.04 0.00 -1.57 0.00 0.00 175.55 174.12 2jyq s LEU 43 N 1.77 4.00 -0.36 0.00 1.98 0.62 -1.84 118.68 124.85 2jyq s LEU 43 Ca 0.03 -2.03 -0.29 0.00 -2.89 0.00 0.00 54.13 48.95 2jyq s LEU 43 Cb -0.14 -2.53 0.00 0.00 0.66 0.00 0.00 46.19 44.19 2jyq s LEU 43 CO -0.07 -1.25 1.41 -0.44 -1.89 0.00 0.00 176.35 174.11 2jyq s SER 44 N 4.31 6.42 -0.11 3.68 0.01 -0.65 -2.33 113.70 125.03 2jyq s SER 44 Ca 0.46 1.02 -0.02 0.00 1.31 0.00 0.00 55.95 58.73 2jyq s SER 44 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 2jyq s SER 44 CO -0.03 -1.33 -0.02 0.54 0.41 0.00 0.00 173.24 172.81 2jyq s VAL 45 N 5.18 4.13 -0.54 3.43 0.11 -0.61 -2.10 120.40 130.00 2jyq s VAL 45 Ca 0.61 -0.30 -0.28 0.00 -2.93 0.00 0.00 61.98 59.09 2jyq s VAL 45 Cb -0.16 -2.75 0.03 0.00 -1.53 0.00 0.00 36.38 31.97 2jyq s VAL 45 CO 0.30 0.57 1.13 -0.44 -3.33 0.00 0.00 175.10 173.33 2jyq s SER 46 N -0.48 6.49 0.03 3.54 0.01 0.20 -2.22 113.70 121.28 2jyq s SER 46 Ca 0.08 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.51 2jyq s SER 46 Cb -0.12 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 2jyq s SER 46 CO 0.02 -1.36 0.13 -0.62 0.41 0.00 0.00 173.24 171.82 2jyq s ASP 47 N 2.75 5.92 -0.16 2.44 2.15 0.12 -2.95 116.67 126.94 2jyq s ASP 47 Ca 0.43 0.17 -0.02 0.00 0.43 0.00 0.00 52.55 53.56 2jyq s ASP 47 Cb -0.08 -1.73 0.05 0.00 -0.30 0.00 0.00 42.92 40.85 2jyq s ASP 47 CO 0.27 0.22 0.01 0.12 -0.17 0.00 0.00 175.17 175.61 2jyq s PHE 48 N -1.34 1.11 -0.07 -5.34 5.36 -1.26 -0.25 117.98 116.18 2jyq s PHE 48 Ca 0.28 -0.75 -0.11 0.00 -0.96 0.00 0.00 56.93 55.40 2jyq s PHE 48 Cb -0.12 -1.04 -0.05 0.00 -0.34 0.00 0.00 43.02 41.47 2jyq s PHE 48 CO 0.20 -0.54 0.27 -0.51 -1.46 0.00 0.00 175.22 173.18 2jyq s ASP 49 N 1.83 6.59 -0.06 6.13 1.01 0.37 -4.98 116.67 127.56 2jyq s ASP 49 Ca 0.01 0.70 -0.06 0.00 0.71 0.00 0.00 52.55 53.91 2jyq s ASP 49 Cb -0.15 -2.16 -0.22 0.00 1.01 0.00 0.00 42.92 41.40 2jyq s ASP 49 CO -0.07 0.35 3.49 0.59 0.21 0.00 0.00 175.17 179.74 2jyq n ASN 50 N 1.99 5.41 0.00 0.27 3.02 -1.26 -2.20 115.26 122.48 2jyq n ASN 50 Ca -0.17 -2.58 0.00 0.00 -0.03 0.00 0.00 54.58 51.80 2jyq n ASN 50 Cb 0.54 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 2jyq n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jyq n ALA 51 N 2.26 0.00 0.15 5.41 0.00 -1.26 -4.96 120.51 122.11 2jyq n ALA 51 Ca 0.43 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.96 2jyq n ALA 51 Cb 0.86 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.49 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 -1.17 2.24 0.00 0.00 5.02 -1.19 -5.08 118.16 117.98 2jyq n LYS 52 Ca 0.00 -2.04 0.00 0.00 -2.02 0.00 0.00 58.31 54.25 2jyq n LYS 52 Cb 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.07 0.49 3.89 0.72 0.00 -0.94 -4.81 105.19 105.61 2jyq n GLY 53 Ca 0.15 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 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 4.33 0.04 0.99 1.02 -1.26 -0.48 118.68 123.32 2jyq s LEU 54 Ca 0.00 0.60 -0.05 0.00 0.02 0.00 0.00 54.13 54.69 2jyq s LEU 54 Cb 0.00 -2.98 -0.01 0.00 0.02 0.00 0.00 46.19 43.22 2jyq s LEU 54 CO 0.00 0.16 0.09 0.54 0.02 0.00 0.00 176.35 177.16 2jyq s ASN 55 N -2.03 0.18 -0.24 2.29 2.20 0.65 -4.98 114.94 113.01 2jyq s ASN 55 Ca 0.34 -0.52 -0.06 0.00 -0.94 0.00 0.00 52.86 51.68 2jyq s ASN 55 Cb -0.13 0.22 -0.02 0.00 -2.00 0.00 0.00 41.25 39.32 2jyq s ASN 55 CO 0.20 -0.50 0.03 -0.69 -2.94 0.00 0.00 177.10 173.21 2jyq s VAL 56 N -2.54 3.98 -0.34 3.54 1.01 -1.26 -0.71 120.40 124.09 2jyq s VAL 56 Ca -0.06 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 2jyq s VAL 56 Cb -0.02 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 2jyq s VAL 56 CO -0.04 0.37 0.21 -0.54 0.00 0.00 0.00 175.10 175.09 2jyq s LYS 57 N 1.57 3.31 -1.04 2.72 1.02 -0.94 -4.94 119.74 121.44 2jyq s LYS 57 Ca 0.06 -0.75 -0.17 0.00 0.02 0.00 0.00 55.97 55.13 2jyq s LYS 57 Cb -0.15 -3.72 0.15 0.00 -0.52 0.00 0.00 37.83 33.59 2jyq s LYS 57 CO 0.01 -0.49 1.25 -1.01 -0.92 0.00 0.00 175.35 174.19 2jyq s HIS 58 N 1.66 3.28 0.10 3.18 3.76 -1.26 -1.57 115.29 124.44 2jyq s HIS 58 Ca 0.05 -1.70 -0.31 0.00 -0.15 0.00 0.00 55.06 52.95 2jyq s HIS 58 Cb -0.18 -4.29 -0.08 0.00 1.11 0.00 0.00 32.58 29.15 2jyq s HIS 58 CO 0.08 -1.44 1.40 0.71 -0.85 0.00 0.00 174.74 174.64 2jyq s TYR 59 N 2.20 3.16 -0.11 1.40 2.02 -0.98 -4.79 117.35 120.25 2jyq s TYR 59 Ca 0.37 0.90 -0.30 0.00 -0.37 0.00 0.00 57.07 57.67 2jyq s TYR 59 Cb -0.04 -3.70 -0.02 0.00 -0.40 0.00 0.00 41.96 37.80 2jyq s TYR 59 CO -0.06 -2.47 1.25 0.15 -1.57 0.00 0.00 175.55 172.85 2jyq s LYS 60 N 1.32 4.28 -0.79 -0.62 -0.14 -1.26 -0.28 119.74 122.25 2jyq s LYS 60 Ca 0.65 1.69 -0.06 0.00 -1.36 0.00 0.00 55.97 56.88 2jyq s LYS 60 Cb -0.36 -3.68 0.20 0.00 -1.68 0.00 0.00 37.83 32.31 2jyq s LYS 60 CO 0.30 -0.60 0.67 0.42 -0.76 0.00 0.00 175.35 175.37 2jyq s ILE 61 N 2.97 4.62 0.31 2.17 1.01 0.20 -3.93 121.20 128.54 2jyq s ILE 61 Ca 0.56 -3.06 0.08 0.00 0.00 0.00 0.00 60.65 58.23 2jyq s ILE 61 Cb -0.23 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 2jyq s ILE 61 CO 0.18 -1.00 0.13 0.00 0.00 0.00 0.00 174.94 174.25 2jyq s ARG 62 N -0.39 2.45 0.08 2.79 1.70 -1.10 -0.62 118.95 123.86 2jyq s ARG 62 Ca 0.21 -1.43 -0.01 0.00 -0.47 0.00 0.00 55.73 54.03 2jyq s ARG 62 Cb -0.14 -2.25 -0.04 0.00 -0.57 0.00 0.00 34.95 31.95 2jyq s ARG 62 CO -0.07 0.21 0.24 0.15 -1.08 0.00 0.00 175.30 174.75 2jyq s LYS 63 N -3.82 3.47 0.64 3.89 1.02 -1.26 -1.35 119.74 122.33 2jyq s LYS 63 Ca 0.36 -0.39 0.04 0.00 0.02 0.00 0.00 55.97 56.00 2jyq s LYS 63 Cb -0.04 -3.01 0.10 0.00 -0.52 0.00 0.00 37.83 34.36 2jyq s LYS 63 CO 0.23 0.58 0.88 -0.51 -0.92 0.00 0.00 175.35 175.61 2jyq s LEU 64 N -2.56 3.09 0.12 3.17 1.43 0.65 -4.96 118.68 119.62 2jyq s LEU 64 Ca 0.36 -0.53 -0.32 0.00 -1.03 0.00 0.00 54.13 52.61 2jyq s LEU 64 Cb -0.13 -1.94 -0.10 0.00 0.03 0.00 0.00 46.19 44.05 2jyq s LEU 64 CO 0.28 -1.55 1.58 -0.78 0.23 0.00 0.00 176.35 176.10 2jyq h ASP 65 N -0.15 -1.38 0.00 2.29 3.58 -2.00 -3.38 116.42 115.37 2jyq h ASP 65 Ca -0.34 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2jyq h ASP 65 Cb 1.28 0.53 0.00 0.00 1.72 0.00 0.00 39.33 42.86 2jyq h ASP 65 CO 0.41 -0.49 -0.20 -1.54 -2.88 0.00 0.00 179.24 174.55 2jyq n SER 66 N -5.46 0.00 0.04 2.28 3.41 -1.26 -4.84 113.62 107.78 2jyq n SER 66 Ca -0.07 -1.39 -0.12 0.00 -0.26 0.00 0.00 58.87 57.03 2jyq n SER 66 Cb 0.38 -0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 64.12 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 0.14 0.00 5.00 0.00 -1.97 -3.50 103.07 102.74 2jyq h GLY 67 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2jyq h GLY 67 CO 0.00 0.32 0.00 0.61 0.00 0.00 0.00 176.54 177.47 2jyq n GLY 68 N 1.56 0.35 3.86 4.60 0.00 -1.26 -3.97 105.19 110.33 2jyq n GLY 68 Ca -0.13 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 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 0.00 3.63 -0.20 1.61 0.40 0.21 -0.25 117.98 123.38 2jyq s PHE 69 Ca 0.00 0.86 -0.18 0.00 -0.60 0.00 0.00 56.93 57.01 2jyq s PHE 69 Cb 0.00 -2.20 0.05 0.00 0.51 0.00 0.00 43.02 41.38 2jyq s PHE 69 CO 0.00 0.56 0.53 1.52 0.70 0.00 0.00 175.22 178.54 2jyq s TYR 70 N -1.28 -0.59 -0.13 0.36 1.13 -0.46 -1.50 117.35 114.87 2jyq s TYR 70 Ca 0.30 1.44 0.19 0.00 -1.41 0.00 0.00 57.07 57.58 2jyq s TYR 70 Cb -0.15 0.21 -0.24 0.00 -1.10 0.00 0.00 41.96 40.68 2jyq s TYR 70 CO 0.16 -0.29 0.39 -0.89 -2.51 0.00 0.00 175.55 172.42 2jyq n ILE 71 N 2.85 0.98 -4.10 -3.49 5.41 -1.25 -2.69 119.36 117.06 2jyq n ILE 71 Ca -0.14 -0.72 -0.14 0.00 1.00 0.00 0.00 62.75 62.75 2jyq n ILE 71 Cb 0.56 -0.43 -0.13 0.00 -0.71 0.00 0.00 39.64 38.93 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 -2.88 0.42 -0.32 1.39 -1.32 -1.26 -4.77 115.64 106.90 2jyq s THR 72 Ca -0.07 -0.55 0.26 0.00 -1.21 0.00 0.00 61.69 60.11 2jyq s THR 72 Cb 0.09 -0.42 0.28 0.00 -1.51 0.00 0.00 72.50 70.93 2jyq s THR 72 CO 0.85 -0.10 1.77 0.28 -2.21 0.00 0.00 174.62 175.21 2jyq h SER 73 N 5.42 0.00 0.39 8.08 0.02 -2.01 -3.19 113.55 122.26 2jyq h SER 73 Ca -0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 2jyq h SER 73 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2jyq h SER 73 CO 0.46 0.00 -0.19 0.03 -1.14 0.00 0.00 176.83 176.00 2jyq h ARG 74 N 0.00 -0.50 -5.07 3.45 3.08 -2.00 -3.44 114.38 109.90 2jyq h ARG 74 Ca 0.00 0.03 -0.63 0.00 0.07 0.00 0.00 59.98 59.45 2jyq h ARG 74 Cb 0.35 0.11 -0.17 0.00 0.08 0.00 0.00 29.97 30.34 2jyq h ARG 74 CO 0.00 -0.26 -0.55 0.99 -1.07 0.00 0.00 179.97 179.07 2jyq s THR 75 N -3.54 4.93 -0.03 2.04 2.01 -1.20 -5.08 115.64 114.77 2jyq s THR 75 Ca -0.10 0.03 0.05 0.00 0.31 0.00 0.00 61.69 61.99 2jyq s THR 75 Cb 0.01 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 2jyq s THR 75 CO 0.31 0.36 -0.19 -1.10 -0.69 0.00 0.00 174.62 173.31 2jyq s GLN 76 N 1.15 1.78 -0.01 4.92 -0.21 -1.26 -4.55 119.66 121.48 2jyq s GLN 76 Ca 0.06 -0.68 0.01 0.00 0.02 0.00 0.00 55.36 54.77 2jyq s GLN 76 Cb -0.14 -1.61 0.01 0.00 1.00 0.00 0.00 33.01 32.27 2jyq s GLN 76 CO 0.04 0.33 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.47 2jyq s PHE 77 N -0.19 0.31 -1.45 0.91 0.08 -0.56 -4.98 117.98 112.09 2jyq s PHE 77 Ca 0.01 -0.04 0.08 0.00 0.12 0.00 0.00 56.93 57.10 2jyq s PHE 77 Cb -0.10 -0.29 0.31 0.00 -0.57 0.00 0.00 43.02 42.37 2jyq s PHE 77 CO 0.01 -0.06 1.15 0.43 -0.10 0.00 0.00 175.22 176.65 2jyq n SER 78 N 3.47 2.23 -3.76 1.36 7.64 -1.25 0.67 113.62 123.97 2jyq n SER 78 Ca -0.19 -2.16 -0.13 0.00 1.01 0.00 0.00 58.87 57.40 2jyq n SER 78 Cb 0.55 -0.36 -0.14 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.72 -0.12 0.48 6.43 0.01 -1.26 -4.82 113.70 113.70 2jyq s SER 79 Ca 0.22 0.30 0.24 0.00 1.31 0.00 0.00 55.95 58.02 2jyq s SER 79 Cb 0.14 0.21 1.21 0.00 0.21 0.00 0.00 66.02 67.79 2jyq s SER 79 CO 0.11 -0.13 1.97 -0.07 0.41 0.00 0.00 173.24 175.54 2jyq h LEU 80 N 6.98 0.00 -0.15 2.44 3.38 -1.98 -1.80 115.31 124.18 2jyq h LEU 80 Ca -0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 2jyq h LEU 80 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2jyq h LEU 80 CO 0.42 0.18 0.06 -0.61 0.09 0.00 0.00 178.44 178.58 2jyq h GLN 81 N 0.00 0.23 -0.19 1.13 -0.00 -1.98 -2.67 115.11 111.62 2jyq h GLN 81 Ca -0.00 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.65 58.55 2jyq h GLN 81 Cb 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.92 2jyq h GLN 81 CO 0.02 0.32 -0.14 1.96 0.00 0.00 0.00 178.83 181.00 2jyq h GLN 82 N 0.08 0.32 0.25 1.69 1.08 -1.87 -2.18 115.11 114.48 2jyq h GLN 82 Ca 0.05 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2jyq h GLN 82 Cb 0.19 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2jyq h GLN 82 CO -0.00 0.46 -0.27 1.25 -0.95 0.00 0.00 178.83 179.32 2jyq h LEU 83 N 0.30 -0.74 -0.54 1.46 7.12 -1.02 -1.75 115.31 120.14 2jyq h LEU 83 Ca 0.06 0.06 -0.10 0.00 0.13 0.00 0.00 57.88 58.03 2jyq h LEU 83 Cb 0.43 0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.79 2jyq h LEU 83 CO 0.03 -0.35 -0.04 -0.37 -0.13 0.00 0.00 178.44 177.57 2jyq h VAL 84 N -0.52 1.27 -0.29 1.05 -1.51 -1.49 0.13 116.25 114.88 2jyq h VAL 84 Ca -0.03 -1.18 0.08 0.00 -1.23 0.00 0.00 66.70 64.35 2jyq h VAL 84 Cb 0.46 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.54 2jyq h VAL 84 CO -0.04 0.42 0.22 0.00 -1.23 0.00 0.00 177.57 176.94 2jyq h ALA 85 N 0.94 2.21 0.02 5.19 0.00 -1.37 -0.83 119.26 125.42 2jyq h ALA 85 Ca 0.15 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.72 2jyq h ALA 85 Cb 0.59 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2jyq h ALA 85 CO 0.04 -0.37 -1.79 0.98 0.00 0.00 0.00 179.25 178.10 2jyq n TYR 86 N -4.32 0.76 0.48 0.00 4.19 -0.66 -4.31 117.16 113.29 2jyq n TYR 86 Ca 0.04 0.27 0.06 0.00 3.31 0.00 0.00 57.90 61.59 2jyq n TYR 86 Cb 0.38 -1.08 0.29 0.00 0.49 0.00 0.00 39.34 39.42 2jyq n TYR 86 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 2jyq n TYR 87 N -4.12 0.00 0.07 2.98 4.02 0.00 -0.45 117.16 119.67 2jyq n TYR 87 Ca -0.38 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.44 2jyq n TYR 87 Cb 0.82 -0.45 0.08 0.00 -0.02 0.00 0.00 39.34 39.78 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 0.33 0.00 7.72 4.64 -1.34 -2.53 113.55 122.37 2jyq h SER 88 Ca 0.00 -0.20 -0.37 0.00 -0.47 0.00 0.00 61.79 60.75 2jyq h SER 88 Cb 0.20 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 62.12 2jyq h SER 88 CO 0.00 0.89 -2.41 1.17 -0.87 0.00 0.00 176.83 175.61 2jyq n LYS 89 N -3.84 0.63 -3.95 4.77 4.81 -0.35 -3.47 118.16 116.76 2jyq n LYS 89 Ca -0.03 0.14 -0.34 0.00 -0.87 0.00 0.00 58.31 57.21 2jyq n LYS 89 Cb 0.66 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 34.07 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 -2.50 3.19 0.19 5.64 3.76 0.41 -4.98 115.29 121.00 2jyq s HIS 90 Ca -0.33 -1.80 0.01 0.00 -0.15 0.00 0.00 55.06 52.79 2jyq s HIS 90 Cb 0.09 -2.07 0.08 0.00 1.11 0.00 0.00 32.58 31.79 2jyq s HIS 90 CO 0.58 -0.78 1.44 0.00 -0.85 0.00 0.00 174.74 175.13 2jyq h ALA 91 N 7.98 0.63 -0.86 -1.40 0.00 -1.82 -3.31 119.26 120.48 2jyq h ALA 91 Ca -0.25 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2jyq h ALA 91 Cb 1.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jyq h ALA 91 CO 0.54 0.80 0.00 -3.47 0.00 0.00 0.00 179.25 177.12 2jyq n ASP 92 N -3.79 0.00 -0.10 0.00 -0.08 -1.26 -1.78 116.55 109.54 2jyq n ASP 92 Ca -0.04 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.13 2jyq n ASP 92 Cb 0.72 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 44.04 2jyq n ASP 92 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jyq n GLY 93 N 0.00 -0.82 3.77 0.27 0.00 -1.26 -4.97 105.19 102.18 2jyq n GLY 93 Ca 0.00 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -5.60 3.55 -0.04 0.99 1.02 -0.73 -4.92 118.68 112.94 2jyq s LEU 94 Ca -0.14 2.14 0.11 0.00 0.02 0.00 0.00 54.13 56.26 2jyq s LEU 94 Cb 0.06 -4.57 0.38 0.00 0.02 0.00 0.00 46.19 42.08 2jyq s LEU 94 CO 0.74 -1.53 1.26 0.00 0.02 0.00 0.00 176.35 176.84 2jyq s HIS 96 N -1.62 0.01 -0.27 0.00 3.76 -1.26 -5.12 115.29 110.79 2jyq s HIS 96 Ca 0.28 0.09 -0.13 0.00 -0.15 0.00 0.00 55.06 55.15 2jyq s HIS 96 Cb 0.17 -0.13 -0.04 0.00 1.11 0.00 0.00 32.58 33.68 2jyq s HIS 96 CO 0.15 -0.05 0.28 1.03 -0.85 0.00 0.00 174.74 175.30 2jyq s ARG 97 N 0.61 3.99 -0.45 1.40 0.52 -1.26 -4.63 118.95 119.12 2jyq s ARG 97 Ca -0.05 -0.13 -0.32 0.00 -0.52 0.00 0.00 55.73 54.71 2jyq s ARG 97 Cb -0.07 -3.65 -0.11 0.00 0.52 0.00 0.00 34.95 31.63 2jyq s ARG 97 CO -0.02 -0.22 2.31 1.28 0.02 0.00 0.00 175.30 178.67 2jyq n LEU 98 N 5.16 2.03 -0.09 2.53 4.77 -0.95 -4.79 117.00 125.66 2jyq n LEU 98 Ca -0.11 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 2jyq n LEU 98 Cb 0.51 -1.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.25 2jyq n LEU 98 CO 0.35 -0.91 -0.75 0.41 -1.33 0.00 0.00 177.39 175.17 2jyq n THR 99 N 7.46 1.50 -4.09 -5.08 -1.04 -0.67 -4.39 114.28 107.97 2jyq n THR 99 Ca 0.43 0.07 -0.13 0.00 -2.04 0.00 0.00 64.05 62.38 2jyq n THR 99 Cb 0.29 -2.29 -0.11 0.00 -1.82 0.00 0.00 70.33 66.40 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 -6.12 0.99 0.17 8.00 2.20 -0.82 -5.02 114.94 114.34 2jyq s ASN 100 Ca -0.29 -0.64 -0.13 0.00 -0.94 0.00 0.00 52.86 50.86 2jyq s ASN 100 Cb 0.05 0.04 -0.07 0.00 -2.00 0.00 0.00 41.25 39.27 2jyq s ASN 100 CO 0.42 -0.24 0.56 -0.69 -2.94 0.00 0.00 177.10 174.20 2jyq s VAL 101 N -1.80 4.87 0.20 3.54 1.01 -1.26 -0.85 120.40 126.11 2jyq s VAL 101 Ca -0.05 0.74 -0.32 0.00 0.00 0.00 0.00 61.98 62.35 2jyq s VAL 101 Cb -0.07 -3.70 -0.14 0.00 0.00 0.00 0.00 36.38 32.47 2jyq s VAL 101 CO -0.00 0.15 1.35 0.00 0.00 0.00 0.00 175.10 176.59 2jyq s PRO 103 N -0.22 4.29 0.20 0.00 0.02 -1.26 -4.92 135.00 133.11 2jyq s PRO 103 Ca 0.72 2.27 0.24 0.00 0.02 0.00 0.00 61.00 64.24 2jyq s PRO 103 Cb -0.73 -3.11 0.91 0.00 0.02 0.00 0.00 34.50 31.59 2jyq s PRO 103 CO 0.49 -0.37 1.72 0.25 -0.33 0.00 0.00 177.00 178.75 2jyq n THR 104 N 2.12 0.73 -4.09 0.99 -2.24 -1.26 -4.71 114.28 105.81 2jyq n THR 104 Ca 0.06 0.07 -0.17 0.00 -2.27 0.00 0.00 64.05 61.74 2jyq n THR 104 Cb 0.41 -0.94 -0.15 0.00 -2.10 0.00 0.00 70.33 67.54 2jyq n THR 104 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2jyq s SER 105 N -4.12 0.60 0.00 3.42 0.01 -1.26 -5.14 113.70 107.21 2jyq s SER 105 Ca 0.07 -0.08 0.22 0.00 1.31 0.00 0.00 55.95 57.47 2jyq s SER 105 Cb 0.11 -0.19 0.18 0.00 0.21 0.00 0.00 66.02 66.33 2jyq s SER 105 CO 0.45 -0.01 1.20 2.29 0.41 0.00 0.00 173.24 177.58