#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhu n SER 1 N 0.00 0.00 -3.57 1.61 2.88 -1.26 -4.27 113.62 109.01 1uhu n SER 1 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1uhu n SER 1 Cb 0.00 0.41 -0.02 0.00 -0.75 0.00 0.00 64.21 63.86 1uhu n SER 1 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uhu s SER 2 N -1.35 -0.31 0.00 -3.46 0.15 -1.26 -4.41 113.70 103.05 1uhu s SER 2 Ca 0.00 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1uhu s SER 2 Cb 0.00 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1uhu s SER 2 CO 0.00 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1uhu n GLY 3 N -0.30 2.63 1.38 9.45 0.00 -1.26 -5.14 105.19 111.94 1uhu n GLY 3 Ca -0.08 -2.03 0.05 0.00 0.00 0.00 0.00 46.02 43.96 1uhu n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uhu n SER 4 N 0.00 -7.43 -4.57 1.61 7.64 -1.26 -4.86 113.62 104.74 1uhu n SER 4 Ca 0.00 1.57 -0.31 0.00 1.01 0.00 0.00 58.87 61.14 1uhu n SER 4 Cb 0.00 -4.47 0.17 0.00 -1.01 0.00 0.00 64.21 58.90 1uhu n SER 4 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uhu n SER 5 N -3.02 -0.55 -0.11 6.43 7.64 -1.26 -4.82 113.62 117.93 1uhu n SER 5 Ca -0.03 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1uhu n SER 5 Cb 0.49 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1uhu n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhu n GLY 6 N 0.69 -1.79 3.75 0.23 0.00 -1.26 -5.09 105.19 101.73 1uhu n GLY 6 Ca 0.09 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 1uhu n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uhu s THR 7 N -0.46 3.66 -0.08 2.61 -4.23 -1.26 -4.93 115.64 110.95 1uhu s THR 7 Ca 0.00 -1.63 -0.27 0.00 -1.18 0.00 0.00 61.69 58.61 1uhu s THR 7 Cb 0.00 -3.10 -0.23 0.00 1.34 0.00 0.00 72.50 70.51 1uhu s THR 7 CO 0.00 -0.29 1.02 1.55 -0.54 0.00 0.00 174.62 176.36 1uhu h PRO 8 N 1.59 0.02 -0.87 3.99 0.13 -1.83 -0.92 132.00 134.11 1uhu h PRO 8 Ca -0.45 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 64.69 1uhu h PRO 8 Cb 1.25 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 1uhu h PRO 8 CO 0.61 0.77 0.56 1.25 -0.23 0.00 0.00 178.00 180.96 1uhu h LEU 9 N -0.71 0.92 -0.36 1.56 5.85 -1.73 0.37 115.31 121.21 1uhu h LEU 9 Ca -0.00 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1uhu h LEU 9 Cb 0.78 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1uhu h LEU 9 CO 0.01 0.62 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.44 1uhu h SER 10 N 1.07 0.63 -0.81 1.25 0.87 -1.81 0.21 113.55 114.96 1uhu h SER 10 Ca 0.35 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1uhu h SER 10 Cb 0.04 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 1uhu h SER 10 CO -0.13 0.79 0.46 -0.07 -0.53 0.00 0.00 176.83 177.35 1uhu h LEU 11 N 0.45 1.00 0.04 2.23 3.38 -0.33 0.55 115.31 122.62 1uhu h LEU 11 Ca 0.10 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1uhu h LEU 11 Cb 0.48 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1uhu h LEU 11 CO 0.02 0.79 -0.02 0.71 0.09 0.00 0.00 178.44 180.04 1uhu h THR 12 N 1.12 1.19 -0.42 0.22 1.35 -0.05 -2.14 112.91 114.18 1uhu h THR 12 Ca 0.29 -0.75 0.02 0.00 -0.55 0.00 0.00 66.41 65.41 1uhu h THR 12 Cb 0.01 1.69 -0.03 0.00 -1.73 0.00 0.00 68.15 68.09 1uhu h THR 12 CO -0.05 0.19 0.25 -0.07 -0.25 0.00 0.00 175.52 175.59 1uhu h LEU 13 N -0.38 0.41 -1.88 3.87 3.38 -0.34 0.23 115.31 120.59 1uhu h LEU 13 Ca -0.01 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1uhu h LEU 13 Cb 0.35 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1uhu h LEU 13 CO 0.01 0.29 0.42 0.44 0.09 0.00 0.00 178.44 179.69 1uhu h ASP 14 N 0.51 0.11 -0.70 -0.43 3.32 0.15 0.16 116.42 119.54 1uhu h ASP 14 Ca 0.17 0.01 -0.50 0.00 0.02 0.00 0.00 57.03 56.73 1uhu h ASP 14 Cb 0.00 -0.02 -0.34 0.00 0.22 0.00 0.00 39.33 39.19 1uhu h ASP 14 CO -0.07 0.06 -0.42 1.41 -1.72 0.00 0.00 179.24 178.50 1uhu n HIS 15 N -4.40 2.48 -0.33 4.55 8.25 -0.08 -4.75 115.22 120.93 1uhu n HIS 15 Ca 0.11 -2.26 0.21 0.00 -0.26 0.00 0.00 57.72 55.52 1uhu n HIS 15 Cb 0.59 -0.55 0.46 0.00 1.12 0.00 0.00 29.99 31.61 1uhu n HIS 15 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 1uhu h TRP 16 N 1.95 0.79 -0.85 4.41 -0.00 0.24 0.85 115.95 123.34 1uhu h TRP 16 Ca 0.37 0.03 0.12 0.00 -0.00 0.00 0.00 58.89 59.41 1uhu h TRP 16 Cb 1.39 -0.23 -0.08 0.00 -0.00 0.00 0.00 29.16 30.23 1uhu h TRP 16 CO 0.97 0.07 0.47 0.77 -0.00 0.00 0.00 178.44 180.71 1uhu h SER 17 N 0.47 0.62 -0.17 2.65 0.02 -1.84 1.03 113.55 116.33 1uhu h SER 17 Ca 0.61 0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 61.56 1uhu h SER 17 Cb 1.40 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.90 1uhu h SER 17 CO -0.36 0.31 -0.17 -0.08 -1.14 0.00 0.00 176.83 175.38 1uhu h GLU 18 N 0.72 0.42 -0.60 3.45 4.81 0.35 -0.84 114.58 122.89 1uhu h GLU 18 Ca 0.44 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1uhu h GLU 18 Cb 0.53 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1uhu h GLU 18 CO -0.31 0.79 0.29 0.82 -0.73 0.00 0.00 179.01 179.87 1uhu h ILE 19 N 0.07 1.20 0.00 2.32 1.08 -0.11 -0.72 117.51 121.35 1uhu h ILE 19 Ca 0.03 -0.55 -0.10 0.00 -0.39 0.00 0.00 64.86 63.84 1uhu h ILE 19 Cb 0.71 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1uhu h ILE 19 CO 0.04 0.23 -0.48 0.03 -0.69 0.00 0.00 178.15 177.28 1uhu h ARG 20 N 0.85 0.00 -0.03 2.37 3.08 0.12 -2.87 114.38 117.89 1uhu h ARG 20 Ca 0.21 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1uhu h ARG 20 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1uhu h ARG 20 CO -0.03 0.48 -0.02 1.03 -1.07 0.00 0.00 179.97 180.36 1uhu h SER 21 N 0.00 0.06 -0.99 7.04 0.87 0.24 -2.84 113.55 117.94 1uhu h SER 21 Ca -0.00 -0.48 0.13 0.00 -1.23 0.00 0.00 61.79 60.21 1uhu h SER 21 Cb 0.93 -0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 62.79 1uhu h SER 21 CO 0.06 0.53 0.62 0.03 -0.53 0.00 0.00 176.83 177.54 1uhu h ARG 22 N -0.40 0.90 -0.77 2.24 3.08 -1.19 0.11 114.38 118.35 1uhu h ARG 22 Ca 0.00 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.03 1uhu h ARG 22 Cb 0.51 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 1uhu h ARG 22 CO 0.01 0.60 0.49 0.00 -1.07 0.00 0.00 179.97 179.99 1uhu h ALA 23 N 1.56 1.01 -0.33 0.04 0.00 -1.43 0.97 119.26 121.08 1uhu h ALA 23 Ca 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1uhu h ALA 23 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1uhu h ALA 23 CO -0.27 0.30 0.13 1.25 0.00 0.00 0.00 179.25 180.66 1uhu h HIS 24 N 0.96 0.51 -0.30 0.00 6.17 -0.60 1.70 115.15 123.59 1uhu h HIS 24 Ca 0.31 -0.04 -0.08 0.00 0.71 0.00 0.00 60.37 61.26 1uhu h HIS 24 Cb 0.00 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 29.76 1uhu h HIS 24 CO -0.03 0.48 -0.17 -0.97 0.71 0.00 0.00 177.93 177.95 1uhu h ASN 25 N 0.39 0.52 1.51 3.26 -0.73 -0.40 -1.43 115.58 118.71 1uhu h ASN 25 Ca 0.11 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1uhu h ASN 25 Cb 0.19 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.64 1uhu h ASN 25 CO -0.01 0.71 -0.05 -0.07 -0.37 0.00 0.00 177.43 177.64 1uhu h LEU 26 N 0.48 0.00 -1.33 0.34 3.38 0.15 -3.47 115.31 114.86 1uhu h LEU 26 Ca 0.08 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1uhu h LEU 26 Cb 0.57 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.36 1uhu h LEU 26 CO 0.04 0.01 -0.19 -0.24 0.09 0.00 0.00 178.44 178.14 1uhu n SER 27 N -2.39 -2.72 -4.12 -0.43 2.88 0.39 -5.03 113.62 102.20 1uhu n SER 27 Ca 0.05 -0.15 -0.10 0.00 -1.33 0.00 0.00 58.87 57.34 1uhu n SER 27 Cb 0.45 -1.72 -0.10 0.00 -0.75 0.00 0.00 64.21 62.09 1uhu n SER 27 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1uhu s VAL 28 N -3.09 0.51 -0.05 2.46 -7.23 0.48 -4.99 120.40 108.49 1uhu s VAL 28 Ca 0.10 -1.72 0.07 0.00 -1.81 0.00 0.00 61.98 58.61 1uhu s VAL 28 Cb -0.04 -1.41 -0.01 0.00 0.56 0.00 0.00 36.38 35.48 1uhu s VAL 28 CO 0.19 -0.82 -0.25 -0.70 -0.31 0.00 0.00 175.10 173.21 1uhu s GLU 29 N -3.41 2.45 0.18 4.82 2.12 -1.26 -3.75 118.70 119.86 1uhu s GLU 29 Ca 0.06 -0.91 -0.02 0.00 0.36 0.00 0.00 54.97 54.46 1uhu s GLU 29 Cb 0.03 -2.14 -0.04 0.00 0.26 0.00 0.00 34.13 32.25 1uhu s GLU 29 CO -0.05 0.42 0.13 0.96 -0.54 0.00 0.00 175.26 176.18 1uhu s ILE 30 N -0.27 0.03 0.36 -3.70 -4.36 -1.26 -4.91 121.20 107.09 1uhu s ILE 30 Ca -0.01 -1.92 0.08 0.00 -0.26 0.00 0.00 60.65 58.55 1uhu s ILE 30 Cb -0.13 -2.33 -0.07 0.00 1.25 0.00 0.00 42.46 41.18 1uhu s ILE 30 CO 0.03 -0.14 -0.05 -0.54 0.24 0.00 0.00 174.94 174.47 1uhu s LYS 31 N -4.11 1.82 0.12 0.37 1.02 -1.26 -5.04 119.74 112.66 1uhu s LYS 31 Ca 0.33 -1.97 0.21 0.00 0.02 0.00 0.00 55.97 54.56 1uhu s LYS 31 Cb 0.07 -1.59 -0.10 0.00 -0.52 0.00 0.00 37.83 35.69 1uhu s LYS 31 CO 0.09 0.06 0.87 1.17 -0.92 0.00 0.00 175.35 176.61 1uhu n LYS 32 N -0.82 0.62 -0.02 1.68 4.81 -1.26 -2.69 118.16 120.48 1uhu n LYS 32 Ca -0.05 0.09 -0.13 0.00 -0.87 0.00 0.00 58.31 57.35 1uhu n LYS 32 Cb 0.65 -1.77 -0.10 0.00 0.02 0.00 0.00 35.03 33.83 1uhu n LYS 32 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1uhu h GLY 33 N 3.93 -0.00 1.29 3.14 0.00 -2.00 -3.02 103.07 106.41 1uhu h GLY 33 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.03 1uhu h GLY 33 CO 0.01 -0.00 -0.93 -0.56 0.00 0.00 0.00 176.54 175.06 1uhu h PRO 34 N -0.58 0.66 -1.01 4.80 0.13 -1.99 -1.99 132.00 132.03 1uhu h PRO 34 Ca -0.00 -0.64 0.23 0.00 -0.87 0.00 0.00 66.00 64.72 1uhu h PRO 34 Cb 0.57 0.17 -0.11 0.00 0.13 0.00 0.00 31.00 31.76 1uhu h PRO 34 CO 0.00 1.24 0.61 2.35 -0.23 0.00 0.00 178.00 181.97 1uhu h TRP 35 N 0.40 0.97 0.00 1.56 2.91 -1.61 1.41 115.95 121.59 1uhu h TRP 35 Ca -0.09 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.95 1uhu h TRP 35 Cb 1.57 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 1uhu h TRP 35 CO 0.09 0.11 -0.04 -0.09 -1.03 0.00 0.00 178.44 177.48 1uhu h ARG 36 N 0.60 0.02 -0.10 2.65 2.43 -1.47 -2.97 114.38 115.54 1uhu h ARG 36 Ca 0.62 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.80 1uhu h ARG 36 Cb 1.19 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.70 1uhu h ARG 36 CO -0.42 0.88 -0.17 1.15 -1.51 0.00 0.00 179.97 179.90 1uhu h THR 37 N -0.83 0.56 -0.46 0.20 2.02 -0.28 1.36 112.91 115.48 1uhu h THR 37 Ca -0.01 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.29 1uhu h THR 37 Cb 0.90 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1uhu h THR 37 CO 0.01 0.00 0.32 -0.26 0.37 0.00 0.00 175.52 175.96 1uhu h PHE 38 N -0.23 0.10 -0.51 3.16 0.04 0.17 0.68 116.94 120.36 1uhu h PHE 38 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1uhu h PHE 38 Cb 0.35 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1uhu h PHE 38 CO -0.27 0.05 0.00 0.00 -0.60 0.00 0.00 178.31 177.49 1uhu n ALA 40 N 0.66 1.16 -2.51 0.00 0.00 0.45 -4.60 120.51 115.67 1uhu n ALA 40 Ca 0.22 -0.97 -0.02 0.00 0.00 0.00 0.00 53.44 52.68 1uhu n ALA 40 Cb 0.81 -0.08 0.06 0.00 0.00 0.00 0.00 19.45 20.24 1uhu n ALA 40 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uhu n SER 41 N -4.03 -0.85 -0.00 0.00 2.88 -0.84 -4.89 113.62 105.88 1uhu n SER 41 Ca -0.48 -1.67 -0.01 0.00 -1.33 0.00 0.00 58.87 55.38 1uhu n SER 41 Cb 0.88 0.39 -0.00 0.00 -0.75 0.00 0.00 64.21 64.73 1uhu n SER 41 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1uhu n GLU 42 N -0.83 0.02 -0.01 -1.46 4.07 -1.16 -4.40 120.64 116.87 1uhu n GLU 42 Ca -0.12 0.01 -0.17 0.00 -0.06 0.00 0.00 57.16 56.82 1uhu n GLU 42 Cb 0.70 -0.66 -0.10 0.00 -0.06 0.00 0.00 31.44 31.32 1uhu n GLU 42 CO 0.00 0.00 0.00 -1.49 -0.06 0.00 0.00 177.13 175.58 1uhu h TRP 43 N -0.03 0.60 0.00 4.31 6.55 -0.96 -2.98 115.95 123.45 1uhu h TRP 43 Ca -0.02 -0.31 0.00 0.00 0.95 0.00 0.00 58.89 59.51 1uhu h TRP 43 Cb 1.02 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 29.25 1uhu h TRP 43 CO -0.00 1.12 0.00 -0.35 -1.05 0.00 0.00 178.44 178.15 1uhu n PRO 44 N -4.24 0.75 -0.33 0.49 -0.04 -1.26 -2.26 135.00 128.11 1uhu n PRO 44 Ca -0.10 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.44 1uhu n PRO 44 Cb 0.64 -1.32 0.20 0.00 -0.04 0.00 0.00 33.50 32.98 1uhu n PRO 44 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1uhu n THR 45 N -0.82 2.14 0.13 0.52 -2.24 -1.13 -4.49 114.28 108.39 1uhu n THR 45 Ca 0.12 -2.20 0.11 0.00 -2.27 0.00 0.00 64.05 59.80 1uhu n THR 45 Cb 0.05 -0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 67.87 1uhu n THR 45 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1uhu n PHE 46 N -0.99 0.02 -1.75 4.78 3.01 -0.96 -4.96 117.46 116.60 1uhu n PHE 46 Ca 0.20 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.66 1uhu n PHE 46 Cb 0.79 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 1uhu n PHE 46 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1uhu n ASP 47 N -2.16 -3.21 0.00 4.37 -0.08 -1.26 -5.03 116.55 109.18 1uhu n ASP 47 Ca -0.03 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 1uhu n ASP 47 Cb 0.54 -1.88 0.00 0.00 2.34 0.00 0.00 41.12 42.12 1uhu n ASP 47 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1uhu n VAL 48 N 0.01 0.00 0.00 5.18 0.24 -1.26 -5.04 118.33 117.45 1uhu n VAL 48 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1uhu n VAL 48 Cb 0.02 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1uhu n VAL 48 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1uhu n GLY 49 N -1.44 0.21 3.57 7.63 0.00 -1.26 -5.12 105.19 108.78 1uhu n GLY 49 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1uhu n GLY 49 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1uhu s TRP 50 N -0.39 3.17 0.88 1.61 -0.11 -1.26 -5.00 118.94 117.85 1uhu s TRP 50 Ca 0.00 -0.09 -0.12 0.00 1.22 0.00 0.00 56.10 57.10 1uhu s TRP 50 Cb 0.00 -2.10 0.12 0.00 -1.50 0.00 0.00 33.47 29.99 1uhu s TRP 50 CO 0.00 0.00 1.13 -1.25 -4.62 0.00 0.00 176.95 172.21 1uhu s PRO 51 N 0.67 1.37 0.19 5.86 0.04 -1.26 -4.25 135.00 137.61 1uhu s PRO 51 Ca 0.02 0.37 0.04 0.00 0.04 0.00 0.00 61.00 61.48 1uhu s PRO 51 Cb -0.13 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.63 1uhu s PRO 51 CO 0.02 -2.06 1.44 -1.00 0.04 0.00 0.00 177.00 175.44 1uhu h PRO 52 N -1.40 0.17 0.00 0.56 0.13 -1.90 -3.13 132.00 126.43 1uhu h PRO 52 Ca -0.50 -0.16 -0.12 0.00 -0.87 0.00 0.00 66.00 64.35 1uhu h PRO 52 Cb 1.32 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 1uhu h PRO 52 CO 0.61 0.88 -0.70 0.93 -0.23 0.00 0.00 178.00 179.48 1uhu h GLU 53 N 0.10 0.00 0.00 0.86 4.39 -1.93 -3.41 114.58 114.59 1uhu h GLU 53 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1uhu h GLU 53 Cb 1.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1uhu h GLU 53 CO 0.12 0.50 0.00 0.41 -1.16 0.00 0.00 179.01 178.88 1uhu n GLY 54 N 1.26 1.11 3.44 -3.84 0.00 -1.18 -1.98 105.19 104.01 1uhu n GLY 54 Ca -0.00 -2.13 -0.15 0.00 0.00 0.00 0.00 46.02 43.74 1uhu n GLY 54 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1uhu s THR 55 N -1.45 0.01 -0.71 2.61 -1.32 -1.26 -4.65 115.64 108.88 1uhu s THR 55 Ca 0.00 -0.10 -0.02 0.00 -1.21 0.00 0.00 61.69 60.36 1uhu s THR 55 Cb 0.00 -0.83 0.31 0.00 -1.51 0.00 0.00 72.50 70.48 1uhu s THR 55 CO 0.00 -0.05 2.16 0.49 -2.21 0.00 0.00 174.62 175.01 1uhu n PHE 56 N 1.87 2.71 -3.82 9.09 3.72 -1.26 -4.84 117.46 124.92 1uhu n PHE 56 Ca -0.17 -2.40 -0.36 0.00 -0.05 0.00 0.00 57.45 54.47 1uhu n PHE 56 Cb 0.56 -1.27 -0.13 0.00 -0.94 0.00 0.00 39.48 37.71 1uhu n PHE 56 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1uhu s ASP 57 N -0.92 5.12 0.32 4.37 -1.08 -1.26 -4.77 116.67 118.45 1uhu s ASP 57 Ca 0.55 -1.47 0.10 0.00 -0.52 0.00 0.00 52.55 51.21 1uhu s ASP 57 Cb 0.43 -1.79 0.95 0.00 -1.46 0.00 0.00 42.92 41.05 1uhu s ASP 57 CO -0.27 -0.37 1.67 0.25 0.52 0.00 0.00 175.17 176.98 1uhu h LEU 58 N 8.08 0.43 -0.38 -1.34 5.85 -1.91 0.68 115.31 126.71 1uhu h LEU 58 Ca -0.19 0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1uhu h LEU 58 Cb 1.06 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 1uhu h LEU 58 CO 0.60 -0.09 0.05 0.74 -0.34 0.00 0.00 178.44 179.41 1uhu h THR 59 N 0.35 0.77 -0.13 1.05 2.02 -1.98 1.22 112.91 116.21 1uhu h THR 59 Ca 0.67 -0.06 -0.13 0.00 0.77 0.00 0.00 66.41 67.66 1uhu h THR 59 Cb 1.44 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1uhu h THR 59 CO -0.59 0.03 -0.48 0.58 0.37 0.00 0.00 175.52 175.43 1uhu h VAL 60 N 0.17 1.33 0.21 3.16 2.07 -0.28 -2.68 116.25 120.23 1uhu h VAL 60 Ca 0.19 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 1uhu h VAL 60 Cb 0.24 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1uhu h VAL 60 CO -0.27 0.51 -0.10 0.40 0.02 0.00 0.00 177.57 178.14 1uhu h ILE 61 N 0.27 0.87 -0.30 4.57 2.04 0.13 -2.43 117.51 122.66 1uhu h ILE 61 Ca 0.01 -0.56 0.09 0.00 1.00 0.00 0.00 64.86 65.40 1uhu h ILE 61 Cb 0.95 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1uhu h ILE 61 CO 0.08 0.12 0.33 -0.26 0.00 0.00 0.00 178.15 178.43 1uhu h PHE 62 N -0.57 0.00 0.10 1.37 -1.00 0.15 1.04 116.94 118.03 1uhu h PHE 62 Ca -0.03 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1uhu h PHE 62 Cb 0.42 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.98 1uhu h PHE 62 CO 0.02 0.00 -0.05 0.93 -1.61 0.00 0.00 178.31 177.60 1uhu h GLU 63 N 0.00 -0.14 -0.17 1.51 4.39 -1.11 0.40 114.58 119.46 1uhu h GLU 63 Ca 0.14 0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.67 1uhu h GLU 63 Cb 0.80 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1uhu h GLU 63 CO -0.00 0.33 -0.63 0.28 -1.16 0.00 0.00 179.01 177.83 1uhu h VAL 64 N -0.69 1.32 0.32 3.13 2.07 -0.75 -2.60 116.25 119.05 1uhu h VAL 64 Ca -0.01 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.60 1uhu h VAL 64 Cb 0.53 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1uhu h VAL 64 CO 0.02 0.59 -0.16 0.50 0.02 0.00 0.00 177.57 178.55 1uhu h LYS 65 N 0.45 -0.42 -0.72 1.57 3.64 0.10 -0.07 116.57 121.12 1uhu h LYS 65 Ca -0.01 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.55 1uhu h LYS 65 Cb 1.20 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 33.08 1uhu h LYS 65 CO 0.12 -0.25 0.49 0.00 -2.27 0.00 0.00 179.45 177.54 1uhu h ALA 66 N 0.19 2.20 0.16 5.00 0.00 -0.91 1.75 119.26 127.66 1uhu h ALA 66 Ca -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1uhu h ALA 66 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1uhu h ALA 66 CO 0.07 -0.40 -0.08 0.82 0.00 0.00 0.00 179.25 179.66 1uhu h ILE 67 N 0.33 0.95 -0.27 0.00 2.04 -0.93 0.34 117.51 119.98 1uhu h ILE 67 Ca 0.35 -0.59 -0.11 0.00 1.00 0.00 0.00 64.86 65.51 1uhu h ILE 67 Cb 0.91 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1uhu h ILE 67 CO -0.10 0.14 -0.30 -0.37 0.00 0.00 0.00 178.15 177.52 1uhu h VAL 68 N -0.51 1.28 -0.15 1.67 -1.51 0.63 -1.90 116.25 115.75 1uhu h VAL 68 Ca -0.02 -1.38 0.00 0.00 -1.23 0.00 0.00 66.70 64.07 1uhu h VAL 68 Cb 0.39 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 1uhu h VAL 68 CO 0.04 0.44 0.00 0.49 -1.23 0.00 0.00 177.57 177.31 1uhu n PHE 69 N -4.09 0.20 -0.31 5.19 3.01 0.58 -0.68 117.46 121.37 1uhu n PHE 69 Ca -0.01 -0.10 -0.10 0.00 1.01 0.00 0.00 57.45 58.25 1uhu n PHE 69 Cb 0.45 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 40.01 1uhu n PHE 69 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uhu n GLN 70 N -0.05 -2.47 -4.33 -1.08 10.64 0.12 -4.94 117.38 115.27 1uhu n GLN 70 Ca 0.08 -0.51 -0.30 0.00 -1.83 0.00 0.00 57.00 54.44 1uhu n GLN 70 Cb 0.16 -0.59 -0.10 0.00 -0.86 0.00 0.00 30.24 28.85 1uhu n GLN 70 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1uhu s ASP 71 N -2.40 4.41 0.00 2.61 -1.08 -1.26 -4.60 116.67 114.35 1uhu s ASP 71 Ca 0.22 -0.32 0.00 0.00 -0.52 0.00 0.00 52.55 51.93 1uhu s ASP 71 Cb -0.03 -0.89 0.00 0.00 -1.46 0.00 0.00 42.92 40.54 1uhu s ASP 71 CO 0.18 0.21 0.00 0.61 0.52 0.00 0.00 175.17 176.69 1uhu n GLY 72 N 1.01 -1.96 0.00 2.66 0.00 -1.26 -4.50 105.19 101.13 1uhu n GLY 72 Ca -0.14 -2.13 0.11 0.00 0.00 0.00 0.00 46.02 43.87 1uhu n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uhu n PRO 73 N -0.07 0.42 0.20 1.61 -0.04 -1.26 -2.51 135.00 133.35 1uhu n PRO 73 Ca 0.00 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.62 1uhu n PRO 73 Cb 0.00 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.10 1uhu n PRO 73 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1uhu h GLY 74 N 3.75 0.00 -2.84 0.55 0.00 -1.96 -3.46 103.07 99.12 1uhu h GLY 74 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1uhu h GLY 74 CO 0.00 0.00 0.56 -1.35 0.00 0.00 0.00 176.54 175.75 1uhu s SER 75 N -6.17 5.81 -0.45 0.19 1.04 -1.05 -4.83 113.70 108.24 1uhu s SER 75 Ca 0.06 2.55 0.02 0.00 0.48 0.00 0.00 55.95 59.06 1uhu s SER 75 Cb 0.06 -2.62 0.12 0.00 0.10 0.00 0.00 66.02 63.68 1uhu s SER 75 CO 0.69 -1.19 0.20 -1.00 0.98 0.00 0.00 173.24 172.93 1uhu s HIS 76 N -1.40 3.49 -0.97 5.02 0.09 0.14 -4.92 115.29 116.74 1uhu s HIS 76 Ca 0.66 -2.93 0.22 0.00 -0.00 0.00 0.00 55.06 53.01 1uhu s HIS 76 Cb -0.35 -2.98 0.93 0.00 -0.00 0.00 0.00 32.58 30.18 1uhu s HIS 76 CO 0.42 -0.87 1.70 -0.35 -0.00 0.00 0.00 174.74 175.65 1uhu n PRO 77 N 3.81 0.02 0.09 8.40 -0.04 -1.26 -1.56 135.00 144.45 1uhu n PRO 77 Ca 0.04 0.14 -0.17 0.00 -0.04 0.00 0.00 63.50 63.47 1uhu n PRO 77 Cb 0.38 -1.53 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 1uhu n PRO 77 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1uhu h ASP 78 N 0.00 0.46 1.00 3.54 3.58 -1.95 -3.29 116.42 119.76 1uhu h ASP 78 Ca 0.00 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 56.90 1uhu h ASP 78 Cb 0.39 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1uhu h ASP 78 CO 0.00 1.45 -0.71 1.56 -2.88 0.00 0.00 179.24 178.66 1uhu h GLN 79 N 0.08 0.00 -0.63 0.28 4.20 -1.91 -3.36 115.11 113.77 1uhu h GLN 79 Ca -0.20 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.64 1uhu h GLN 79 Cb 2.02 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.69 1uhu h GLN 79 CO 0.19 0.00 0.00 1.96 -0.67 0.00 0.00 178.83 180.31 1uhu h GLN 80 N 0.00 0.11 0.00 1.46 4.20 -1.35 1.25 115.11 120.78 1uhu h GLN 80 Ca 0.00 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1uhu h GLN 80 Cb 0.85 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1uhu h GLN 80 CO 0.00 0.07 -0.30 -1.00 -0.67 0.00 0.00 178.83 176.93 1uhu h PRO 81 N 0.12 0.00 -0.00 1.46 0.13 -1.73 -0.66 132.00 131.31 1uhu h PRO 81 Ca 0.33 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.44 1uhu h PRO 81 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1uhu h PRO 81 CO -0.54 0.30 -0.07 1.88 -0.23 0.00 0.00 178.00 179.34 1uhu h TYR 82 N 0.00 0.07 -0.19 1.56 -1.99 -0.54 -3.09 116.97 112.80 1uhu h TYR 82 Ca -0.00 -0.04 -0.14 0.00 2.00 0.00 0.00 58.73 60.55 1uhu h TYR 82 Cb 0.98 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.69 1uhu h TYR 82 CO 0.00 0.82 -0.46 0.97 -0.00 0.00 0.00 178.16 179.49 1uhu h ILE 83 N -0.71 1.32 -0.86 -2.88 6.09 0.13 -2.94 117.51 117.67 1uhu h ILE 83 Ca -0.01 -1.66 0.13 0.00 -1.37 0.00 0.00 64.86 61.95 1uhu h ILE 83 Cb 0.84 1.68 -0.09 0.00 0.47 0.00 0.00 36.82 39.72 1uhu h ILE 83 CO 0.01 0.51 0.46 0.74 -3.07 0.00 0.00 178.15 176.81 1uhu h THR 84 N 0.38 0.79 -0.47 2.19 2.02 -1.19 0.34 112.91 116.98 1uhu h THR 84 Ca 0.02 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1uhu h THR 84 Cb 0.96 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1uhu h THR 84 CO 0.08 0.13 0.11 0.58 0.37 0.00 0.00 175.52 176.79 1uhu h VAL 85 N 0.69 1.24 -0.45 3.16 2.07 -1.43 -2.64 116.25 118.89 1uhu h VAL 85 Ca 0.45 -0.85 0.09 0.00 0.82 0.00 0.00 66.70 67.22 1uhu h VAL 85 Cb 0.57 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.15 1uhu h VAL 85 CO -0.33 0.30 -0.07 -0.50 0.02 0.00 0.00 177.57 176.99 1uhu h TRP 86 N 0.64 -0.17 -0.68 1.57 4.06 -0.87 0.65 115.95 121.15 1uhu h TRP 86 Ca 0.15 0.04 0.17 0.00 2.06 0.00 0.00 58.89 61.30 1uhu h TRP 86 Cb 0.34 0.14 -0.04 0.00 -1.00 0.00 0.00 29.16 28.61 1uhu h TRP 86 CO 0.02 -0.16 0.47 0.37 -3.56 0.00 0.00 178.44 175.58 1uhu h GLN 87 N 0.04 0.17 0.00 0.49 -0.00 -0.87 0.67 115.11 115.61 1uhu h GLN 87 Ca 0.22 -0.01 -0.15 0.00 -0.00 0.00 0.00 58.65 58.72 1uhu h GLN 87 Cb 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.76 1uhu h GLN 87 CO -0.44 0.11 -0.70 0.22 0.00 0.00 0.00 178.83 178.03 1uhu h ASP 88 N 0.18 0.00 0.17 -0.69 1.82 0.47 -1.31 116.42 117.06 1uhu h ASP 88 Ca 0.33 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.96 1uhu h ASP 88 Cb 1.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.05 1uhu h ASP 88 CO -0.06 0.70 -0.08 -0.07 -1.61 0.00 0.00 179.24 178.12 1uhu h LEU 89 N 0.00 -0.19 -1.27 2.28 -0.00 0.26 0.63 115.31 117.01 1uhu h LEU 89 Ca -0.01 -0.25 -0.06 0.00 -0.00 0.00 0.00 57.88 57.57 1uhu h LEU 89 Cb 1.32 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 42.01 1uhu h LEU 89 CO 0.09 0.16 -0.11 -0.37 -0.00 0.00 0.00 178.44 178.21 1uhu h VAL 90 N -0.57 1.20 0.08 1.22 -1.51 -1.26 -2.04 116.25 113.37 1uhu h VAL 90 Ca -0.02 -0.86 -0.00 0.00 -1.23 0.00 0.00 66.70 64.58 1uhu h VAL 90 Cb 0.43 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1uhu h VAL 90 CO 0.04 0.28 -0.04 1.56 -1.23 0.00 0.00 177.57 178.18 1uhu h GLN 91 N 0.35 -0.11 -2.47 5.19 1.08 -1.06 -3.31 115.11 114.77 1uhu h GLN 91 Ca 0.07 0.01 -0.62 0.00 -1.45 0.00 0.00 58.65 56.66 1uhu h GLN 91 Cb 0.40 0.02 -0.11 0.00 -0.05 0.00 0.00 27.48 27.75 1uhu h GLN 91 CO 0.02 -0.07 1.90 0.09 -0.95 0.00 0.00 178.83 179.82 1uhu n ASN 92 N -2.54 7.53 -3.80 1.46 3.02 0.22 -4.95 115.26 116.19 1uhu n ASN 92 Ca -0.01 -3.00 -0.54 0.00 -0.03 0.00 0.00 54.58 51.00 1uhu n ASN 92 Cb 0.04 -1.37 -0.10 0.00 -0.61 0.00 0.00 39.78 37.74 1uhu n ASN 92 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1uhu n SER 93 N 1.90 0.72 -4.79 6.41 3.41 -0.77 -4.80 113.62 115.70 1uhu n SER 93 Ca 0.60 0.66 -0.29 0.00 -0.26 0.00 0.00 58.87 59.58 1uhu n SER 93 Cb 0.38 -0.79 0.12 0.00 -0.26 0.00 0.00 64.21 63.66 1uhu n SER 93 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1uhu s PRO 94 N 4.89 1.48 0.38 4.33 0.04 -1.26 -4.74 135.00 140.12 1uhu s PRO 94 Ca 1.04 0.41 0.20 0.00 0.04 0.00 0.00 61.00 62.69 1uhu s PRO 94 Cb -1.32 -1.87 0.56 0.00 0.04 0.00 0.00 34.50 31.91 1uhu s PRO 94 CO 0.60 -1.99 1.67 -1.00 0.04 0.00 0.00 177.00 176.32 1uhu h PRO 95 N -1.35 0.00 -0.00 0.56 0.13 -1.99 0.33 132.00 129.69 1uhu h PRO 95 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1uhu h PRO 95 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1uhu h PRO 95 CO 0.61 0.32 -0.00 -2.67 -0.23 0.00 0.00 178.00 176.02 1uhu n TRP 96 N -3.33 0.00 0.00 1.56 4.27 -1.26 -4.21 117.44 114.48 1uhu n TRP 96 Ca 0.01 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.62 1uhu n TRP 96 Cb 0.55 -0.26 0.00 0.00 -1.36 0.00 0.00 31.31 30.24 1uhu n TRP 96 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 1uhu n ILE 97 N -1.25 0.00 -0.43 -1.67 5.41 -0.90 -5.02 119.36 115.50 1uhu n ILE 97 Ca 0.15 0.16 0.00 0.00 1.00 0.00 0.00 62.75 64.06 1uhu n ILE 97 Cb 0.23 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.01 1uhu n ILE 97 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1uhu n LYS 98 N -2.46 -1.22 -4.86 0.38 -0.00 0.11 -5.00 118.16 105.11 1uhu n LYS 98 Ca 0.00 0.91 -0.29 0.00 -0.00 0.00 0.00 58.31 58.92 1uhu n LYS 98 Cb 0.00 -1.02 -0.17 0.00 -0.00 0.00 0.00 35.03 33.85 1uhu n LYS 98 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1uhu s SER 99 N -2.18 2.61 0.00 -5.58 0.01 -1.26 -5.00 113.70 102.31 1uhu s SER 99 Ca 0.00 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 1uhu s SER 99 Cb 0.00 -1.20 -0.07 0.00 0.21 0.00 0.00 66.02 64.97 1uhu s SER 99 CO 0.00 0.09 1.63 -0.83 0.41 0.00 0.00 173.24 174.54 1uhu s GLY 100 N 0.59 1.59 -0.99 3.44 0.00 -1.26 -4.90 107.32 105.79 1uhu s GLY 100 Ca -0.14 1.05 -0.23 0.00 0.00 0.00 0.00 44.72 45.39 1uhu s GLY 100 CO 0.05 2.92 1.71 2.56 0.00 0.00 0.00 173.10 180.33 1uhu s PRO 101 N 3.27 3.10 0.00 2.90 0.04 -1.26 -4.55 135.00 138.50 1uhu s PRO 101 Ca 0.73 -0.80 0.02 0.00 0.04 0.00 0.00 61.00 60.99 1uhu s PRO 101 Cb -0.36 -5.23 -0.01 0.00 0.04 0.00 0.00 34.50 28.94 1uhu s PRO 101 CO 0.31 -2.82 -0.07 -1.54 0.04 0.00 0.00 177.00 172.92 1uhu s SER 102 N 6.38 0.77 -0.02 6.66 1.04 -1.26 -5.15 113.70 122.12 1uhu s SER 102 Ca 0.58 -0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.55 1uhu s SER 102 Cb -0.03 -0.07 0.11 0.00 0.10 0.00 0.00 66.02 66.13 1uhu s SER 102 CO -0.04 0.05 0.98 -0.44 0.98 0.00 0.00 173.24 174.77 1uhu s SER 103 N -0.33 -0.28 0.00 7.02 0.01 -1.26 -5.04 113.70 113.82 1uhu s SER 103 Ca 0.01 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1uhu s SER 103 Cb -0.03 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1uhu s SER 103 CO -0.00 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 173.69