#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibm n LYS 3 N 0.00 1.45 -1.74 -0.52 5.02 -1.26 -4.85 118.16 116.26 1ibm n LYS 3 Ca 0.00 0.53 -0.42 0.00 -2.02 0.00 0.00 58.31 56.40 1ibm n LYS 3 Cb 0.00 -2.26 -0.01 0.00 -0.02 0.00 0.00 35.03 32.74 1ibm n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ibm n LYS 4 N 5.64 2.61 -4.99 1.97 3.00 -1.26 -4.65 118.16 120.48 1ibm n LYS 4 Ca 0.25 0.92 -0.28 0.00 -0.00 0.00 0.00 58.31 59.21 1ibm n LYS 4 Cb 0.18 -2.68 -0.15 0.00 0.00 0.00 0.00 35.03 32.38 1ibm n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1ibm s VAL 5 N -0.29 1.79 0.06 3.15 1.01 -1.26 0.25 120.40 125.11 1ibm s VAL 5 Ca 0.62 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1ibm s VAL 5 Cb -0.51 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1ibm s VAL 5 CO 0.52 0.42 -0.04 -0.76 0.00 0.00 0.00 175.10 175.24 1ibm s LEU 6 N -0.74 2.45 -0.10 3.92 1.43 0.22 -4.90 118.68 120.96 1ibm s LEU 6 Ca 0.09 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1ibm s LEU 6 Cb -0.09 0.08 -0.02 0.00 0.03 0.00 0.00 46.19 46.20 1ibm s LEU 6 CO 0.00 -0.50 -0.14 -0.89 0.23 0.00 0.00 176.35 175.06 1ibm s THR 7 N -3.34 3.02 0.00 5.49 2.01 -1.26 0.31 115.64 121.88 1ibm s THR 7 Ca 0.04 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1ibm s THR 7 Cb 0.04 -2.23 0.00 0.00 0.01 0.00 0.00 72.50 70.31 1ibm s THR 7 CO -0.07 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 1ibm n GLY 8 N 3.10 4.11 2.95 4.40 0.00 0.25 -4.47 105.19 115.54 1ibm n GLY 8 Ca -0.18 -1.37 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 1ibm n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibm s VAL 9 N -1.85 0.90 -0.36 1.61 1.01 -0.04 -1.27 120.40 120.40 1ibm s VAL 9 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 1ibm s VAL 9 Cb 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1ibm s VAL 9 CO 0.00 0.31 1.63 -0.69 0.00 0.00 0.00 175.10 176.35 1ibm s VAL 10 N 0.99 3.67 -1.23 2.92 1.01 0.15 -0.26 120.40 127.65 1ibm s VAL 10 Ca -0.09 0.68 0.10 0.00 0.00 0.00 0.00 61.98 62.67 1ibm s VAL 10 Cb -0.15 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.42 1ibm s VAL 10 CO 0.00 -0.56 0.80 1.33 0.00 0.00 0.00 175.10 176.67 1ibm n VAL 11 N 7.25 0.00 -3.72 2.92 0.24 0.07 -1.81 118.33 123.28 1ibm n VAL 11 Ca 0.20 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.34 61.88 1ibm n VAL 11 Cb 0.47 1.20 -0.14 0.00 -1.47 0.00 0.00 33.84 33.90 1ibm n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ibm s SER 12 N -0.92 -0.04 0.00 -1.34 0.15 -1.21 -4.96 113.70 105.37 1ibm s SER 12 Ca 0.11 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1ibm s SER 12 Cb 0.08 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1ibm s SER 12 CO 0.15 -0.18 0.73 -0.67 1.20 0.00 0.00 173.24 174.47 1ibm n ASP 13 N 4.46 1.04 0.00 5.45 4.64 -1.26 -2.43 116.55 128.45 1ibm n ASP 13 Ca -0.22 -1.50 0.08 0.00 -1.38 0.00 0.00 54.79 51.78 1ibm n ASP 13 Cb 0.52 0.00 0.49 0.00 -1.04 0.00 0.00 41.12 41.08 1ibm n ASP 13 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1ibm n LYS 14 N -0.25 0.48 -3.58 -0.67 5.02 -1.26 -4.80 118.16 113.10 1ibm n LYS 14 Ca 0.00 0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.08 1ibm n LYS 14 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1ibm n LYS 14 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1ibm s MET 15 N -2.10 2.35 -0.26 1.97 -1.94 -1.26 -5.11 119.30 112.94 1ibm s MET 15 Ca 0.24 -1.79 -0.11 0.00 -1.71 0.00 0.00 55.69 52.32 1ibm s MET 15 Cb 0.11 -2.32 -0.05 0.00 2.01 0.00 0.00 34.83 34.59 1ibm s MET 15 CO 0.20 -0.56 0.19 -0.65 -0.01 0.00 0.00 175.02 174.20 1ibm s GLN 16 N -4.34 4.00 -1.46 2.03 -0.21 -1.26 -4.40 119.66 114.02 1ibm s GLN 16 Ca 0.45 -0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.56 1ibm s GLN 16 Cb -0.03 -3.61 0.00 0.00 1.00 0.00 0.00 33.01 30.36 1ibm s GLN 16 CO 0.28 -0.09 0.00 1.63 -2.12 0.00 0.00 175.29 174.98 1ibm n LYS 17 N 4.77 -1.76 -3.97 2.91 5.02 -1.26 -4.94 118.16 118.93 1ibm n LYS 17 Ca -0.14 0.82 -0.08 0.00 -2.02 0.00 0.00 58.31 56.89 1ibm n LYS 17 Cb 0.52 -5.32 -0.09 0.00 -0.02 0.00 0.00 35.03 30.12 1ibm n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ibm s THR 18 N -2.61 0.17 -0.15 -0.18 2.01 -1.26 0.03 115.64 113.65 1ibm s THR 18 Ca 0.00 -1.38 -0.10 0.00 0.31 0.00 0.00 61.69 60.53 1ibm s THR 18 Cb 0.00 -1.21 0.05 0.00 0.01 0.00 0.00 72.50 71.35 1ibm s THR 18 CO 0.00 -0.76 0.37 0.68 -0.69 0.00 0.00 174.62 174.22 1ibm s VAL 19 N -3.35 -0.02 -0.23 3.82 -7.23 0.17 -4.54 120.40 109.02 1ibm s VAL 19 Ca 0.01 0.07 -0.27 0.00 -1.81 0.00 0.00 61.98 59.99 1ibm s VAL 19 Cb 0.03 -0.54 0.00 0.00 0.56 0.00 0.00 36.38 36.44 1ibm s VAL 19 CO -0.08 0.03 0.94 -0.89 -0.31 0.00 0.00 175.10 174.79 1ibm s THR 20 N 0.99 4.76 -0.25 5.32 2.01 -1.02 0.46 115.64 127.90 1ibm s THR 20 Ca -0.06 1.82 -0.04 0.00 0.31 0.00 0.00 61.69 63.72 1ibm s THR 20 Cb -0.07 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.23 1ibm s THR 20 CO -0.08 -0.12 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.03 1ibm s VAL 21 N 2.98 3.37 -0.21 3.82 1.01 0.22 -0.75 120.40 130.83 1ibm s VAL 21 Ca 0.40 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 1ibm s VAL 21 Cb -0.15 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1ibm s VAL 21 CO 0.07 0.25 0.81 -0.22 0.00 0.00 0.00 175.10 176.02 1ibm s LEU 22 N 1.43 4.12 -0.21 3.92 2.96 0.64 -1.12 118.68 130.43 1ibm s LEU 22 Ca 0.03 1.08 -0.02 0.00 -0.22 0.00 0.00 54.13 54.99 1ibm s LEU 22 Cb -0.16 -3.18 0.00 0.00 0.50 0.00 0.00 46.19 43.35 1ibm s LEU 22 CO -0.02 -0.45 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.78 1ibm s VAL 23 N 2.49 2.92 0.35 1.68 1.01 0.33 -0.86 120.40 128.32 1ibm s VAL 23 Ca 0.36 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 1ibm s VAL 23 Cb -0.16 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1ibm s VAL 23 CO 0.10 0.44 0.65 -1.61 0.00 0.00 0.00 175.10 174.68 1ibm s GLU 24 N 1.41 3.67 -0.27 2.72 2.02 -1.26 -1.51 118.70 125.48 1ibm s GLU 24 Ca 0.05 0.17 -0.02 0.00 0.02 0.00 0.00 54.97 55.19 1ibm s GLU 24 Cb -0.14 -2.53 0.12 0.00 0.10 0.00 0.00 34.13 31.68 1ibm s GLU 24 CO -0.06 0.09 0.28 0.50 0.02 0.00 0.00 175.26 176.08 1ibm s ARG 25 N -3.80 0.29 0.73 1.61 3.52 0.85 -4.97 118.95 117.18 1ibm s ARG 25 Ca 0.47 -0.01 -0.11 0.00 -0.13 0.00 0.00 55.73 55.94 1ibm s ARG 25 Cb -0.10 -0.78 0.03 0.00 -1.56 0.00 0.00 34.95 32.53 1ibm s ARG 25 CO 0.32 -0.91 1.10 -0.65 -0.81 0.00 0.00 175.30 174.35 1ibm s GLN 26 N 2.36 2.69 0.00 5.12 -0.21 -1.26 -2.78 119.66 125.59 1ibm s GLN 26 Ca 0.09 0.46 0.00 0.00 0.02 0.00 0.00 55.36 55.93 1ibm s GLN 26 Cb -0.14 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.86 1ibm s GLN 26 CO -0.27 -1.15 0.00 1.97 -2.12 0.00 0.00 175.29 173.72 1ibm n PHE 27 N -3.09 0.00 -2.47 0.91 1.16 -0.77 -4.97 117.46 108.24 1ibm n PHE 27 Ca 0.07 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.24 1ibm n PHE 27 Cb 0.57 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.40 1ibm n PHE 27 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 1ibm s PRO 28 N -2.00 4.57 0.04 3.97 0.04 -1.26 0.15 135.00 140.50 1ibm s PRO 28 Ca 0.00 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 1ibm s PRO 28 Cb 0.00 -3.26 -0.06 0.00 0.04 0.00 0.00 34.50 31.22 1ibm s PRO 28 CO 0.00 0.04 1.36 -1.58 0.04 0.00 0.00 177.00 176.86 1ibm s HIS 29 N -0.27 3.05 0.50 0.56 2.46 0.17 -4.84 115.29 116.92 1ibm s HIS 29 Ca 0.50 0.93 0.31 0.00 0.47 0.00 0.00 55.06 57.27 1ibm s HIS 29 Cb -0.31 -3.63 1.42 0.00 -0.13 0.00 0.00 32.58 29.93 1ibm s HIS 29 CO 0.36 -2.24 1.79 -1.00 -2.47 0.00 0.00 174.74 171.18 1ibm h PRO 30 N 7.41 0.11 0.00 2.88 0.13 -1.90 0.83 132.00 141.46 1ibm h PRO 30 Ca -0.39 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.61 1ibm h PRO 30 Cb 1.19 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1ibm h PRO 30 CO 0.88 0.08 -1.44 -0.11 -0.23 0.00 0.00 178.00 177.17 1ibm n LEU 31 N -4.33 1.23 -0.79 1.56 7.94 -1.26 -4.67 117.00 116.68 1ibm n LEU 31 Ca 0.26 -0.02 0.12 0.00 -1.11 0.00 0.00 56.01 55.26 1ibm n LEU 31 Cb 1.14 -0.02 0.07 0.00 0.53 0.00 0.00 43.42 45.14 1ibm n LEU 31 CO 0.35 0.35 0.52 -1.22 -1.11 0.00 0.00 177.39 176.29 1ibm n TYR 32 N -2.44 0.00 0.00 1.96 0.53 -1.21 -4.97 117.16 111.03 1ibm n TYR 32 Ca -0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.76 1ibm n TYR 32 Cb 0.68 -0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.99 1ibm n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1ibm n GLY 33 N 1.37 0.52 3.45 2.72 0.00 0.29 -4.88 105.19 108.66 1ibm n GLY 33 Ca 0.12 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.65 1ibm n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ibm n LYS 34 N 0.00 0.22 -2.55 1.61 4.81 -1.26 -2.98 118.16 118.01 1ibm n LYS 34 Ca 0.00 0.08 -0.43 0.00 -0.87 0.00 0.00 58.31 57.09 1ibm n LYS 34 Cb 0.00 -1.24 -0.02 0.00 0.02 0.00 0.00 35.03 33.78 1ibm n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1ibm s VAL 35 N -0.76 4.49 -0.03 3.15 1.01 -1.26 0.43 120.40 127.42 1ibm s VAL 35 Ca 0.69 1.79 0.02 0.00 0.00 0.00 0.00 61.98 64.48 1ibm s VAL 35 Cb -0.96 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 31.23 1ibm s VAL 35 CO 0.56 -0.07 -0.05 0.27 0.00 0.00 0.00 175.10 175.81 1ibm s ILE 36 N 2.67 3.79 0.46 2.22 -4.36 0.40 -4.86 121.20 121.53 1ibm s ILE 36 Ca 0.51 -0.61 -0.03 0.00 -0.26 0.00 0.00 60.65 60.26 1ibm s ILE 36 Cb -0.20 -2.61 -0.02 0.00 1.25 0.00 0.00 42.46 40.87 1ibm s ILE 36 CO 0.16 0.48 0.73 -0.75 0.24 0.00 0.00 174.94 175.79 1ibm s LYS 37 N -1.18 3.38 0.07 0.37 2.20 -1.26 -1.85 119.74 121.47 1ibm s LYS 37 Ca 0.15 -0.05 -0.27 0.00 -0.36 0.00 0.00 55.97 55.44 1ibm s LYS 37 Cb -0.11 -2.46 0.08 0.00 -1.51 0.00 0.00 37.83 33.84 1ibm s LYS 37 CO 0.05 -0.19 0.99 0.50 -0.36 0.00 0.00 175.35 176.34 1ibm s ARG 38 N -4.65 0.95 0.31 4.03 6.06 -1.12 -4.96 118.95 119.58 1ibm s ARG 38 Ca 0.47 -0.48 -0.08 0.00 -2.50 0.00 0.00 55.73 53.14 1ibm s ARG 38 Cb -0.10 0.35 0.03 0.00 0.06 0.00 0.00 34.95 35.29 1ibm s ARG 38 CO 0.42 -0.43 0.54 -1.13 -2.50 0.00 0.00 175.30 172.20 1ibm n SER 39 N -0.39 -1.56 -3.62 -2.12 3.41 -1.26 -0.10 113.62 107.97 1ibm n SER 39 Ca -0.07 -2.41 -0.12 0.00 -0.26 0.00 0.00 58.87 56.02 1ibm n SER 39 Cb 0.61 2.69 -0.07 0.00 -0.26 0.00 0.00 64.21 67.18 1ibm n SER 39 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1ibm s LYS 40 N -2.32 0.67 -0.08 4.33 2.20 -0.57 -5.00 119.74 118.98 1ibm s LYS 40 Ca 0.18 0.68 -0.11 0.00 -0.36 0.00 0.00 55.97 56.36 1ibm s LYS 40 Cb -0.03 0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 36.57 1ibm s LYS 40 CO 0.13 -0.10 0.26 0.15 -0.36 0.00 0.00 175.35 175.43 1ibm s LYS 41 N 0.08 3.71 -0.03 4.03 1.02 -1.26 -0.51 119.74 126.77 1ibm s LYS 41 Ca 0.01 0.10 0.05 0.00 0.02 0.00 0.00 55.97 56.15 1ibm s LYS 41 Cb -0.04 -3.22 -0.01 0.00 -0.52 0.00 0.00 37.83 34.04 1ibm s LYS 41 CO -0.02 0.69 -0.17 0.71 -0.92 0.00 0.00 175.35 175.65 1ibm s TYR 42 N -0.91 1.63 -0.55 3.18 1.51 -0.27 -4.93 117.35 117.02 1ibm s TYR 42 Ca 0.18 -0.41 -0.21 0.00 -1.01 0.00 0.00 57.07 55.63 1ibm s TYR 42 Cb -0.14 -1.09 0.06 0.00 -0.11 0.00 0.00 41.96 40.69 1ibm s TYR 42 CO 0.08 -0.11 0.75 -0.51 -1.11 0.00 0.00 175.55 174.64 1ibm s LEU 43 N -0.13 4.76 0.06 -1.29 1.43 -1.26 0.68 118.68 122.94 1ibm s LEU 43 Ca 0.00 -0.86 -0.09 0.00 -1.03 0.00 0.00 54.13 52.14 1ibm s LEU 43 Cb -0.10 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 43.56 1ibm s LEU 43 CO 0.01 -1.07 0.38 0.00 0.23 0.00 0.00 176.35 175.90 1ibm s ALA 44 N 3.11 3.74 -0.37 4.21 0.00 0.17 -4.12 121.76 128.51 1ibm s ALA 44 Ca 0.19 -0.41 -0.27 0.00 0.00 0.00 0.00 51.96 51.47 1ibm s ALA 44 Cb -0.18 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 20.72 1ibm s ALA 44 CO 0.13 0.58 1.00 -1.58 0.00 0.00 0.00 175.76 175.88 1ibm s HIS 45 N -1.37 3.07 -0.71 0.00 2.46 0.74 0.41 115.29 119.89 1ibm s HIS 45 Ca 0.32 0.90 -0.01 0.00 0.47 0.00 0.00 55.06 56.74 1ibm s HIS 45 Cb -0.14 -3.75 0.18 0.00 -0.13 0.00 0.00 32.58 28.74 1ibm s HIS 45 CO 0.18 -0.86 0.54 0.34 -2.47 0.00 0.00 174.74 172.47 1ibm s ASP 46 N 1.87 5.35 0.33 9.88 3.68 0.10 -3.05 116.67 134.84 1ibm s ASP 46 Ca 0.42 -3.28 0.10 0.00 2.13 0.00 0.00 52.55 51.92 1ibm s ASP 46 Cb -0.11 -1.83 0.86 0.00 -1.45 0.00 0.00 42.92 40.38 1ibm s ASP 46 CO 0.19 -0.26 1.78 -0.65 0.13 0.00 0.00 175.17 176.36 1ibm h PRO 47 N 6.45 0.62 -0.52 4.34 0.11 -1.94 -2.14 132.00 138.92 1ibm h PRO 47 Ca 0.06 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.97 1ibm h PRO 47 Cb 0.88 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 31.75 1ibm h PRO 47 CO 0.75 0.41 0.13 0.39 -0.21 0.00 0.00 178.00 179.48 1ibm n GLU 48 N -4.73 2.95 -3.20 1.05 1.02 -1.26 -4.86 120.64 111.61 1ibm n GLU 48 Ca 0.24 -3.04 -0.22 0.00 -0.02 0.00 0.00 57.16 54.12 1ibm n GLU 48 Cb 0.66 -2.01 -0.04 0.00 -0.02 0.00 0.00 31.44 30.02 1ibm n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ibm n GLU 49 N -0.55 -1.31 0.18 3.49 -0.58 -0.80 -4.72 120.64 116.34 1ibm n GLU 49 Ca 0.35 0.07 0.04 0.00 -0.42 0.00 0.00 57.16 57.19 1ibm n GLU 49 Cb 1.18 -3.43 0.30 0.00 -0.57 0.00 0.00 31.44 28.92 1ibm n GLU 49 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1ibm h LYS 50 N -0.44 0.00 -5.93 3.49 3.64 -1.91 -3.44 116.57 111.97 1ibm h LYS 50 Ca -0.31 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.46 1ibm h LYS 50 Cb 0.94 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.71 1ibm h LYS 50 CO 0.46 0.44 -0.42 0.71 -2.27 0.00 0.00 179.45 178.36 1ibm s TYR 51 N -3.67 3.54 0.35 1.91 1.51 -1.26 -5.10 117.35 114.63 1ibm s TYR 51 Ca -0.01 0.46 0.04 0.00 -1.01 0.00 0.00 57.07 56.55 1ibm s TYR 51 Cb 0.12 -1.91 -0.06 0.00 -0.11 0.00 0.00 41.96 39.99 1ibm s TYR 51 CO 0.71 0.58 0.05 0.15 -1.11 0.00 0.00 175.55 175.93 1ibm s LYS 52 N -2.12 1.72 0.63 -0.62 1.02 -1.26 -5.04 119.74 114.08 1ibm s LYS 52 Ca 0.31 -1.97 -0.17 0.00 0.02 0.00 0.00 55.97 54.16 1ibm s LYS 52 Cb -0.13 -0.99 -0.05 0.00 -0.52 0.00 0.00 37.83 36.14 1ibm s LYS 52 CO 0.21 -0.18 0.70 1.28 -0.92 0.00 0.00 175.35 176.44 1ibm n LEU 53 N -0.75 1.98 0.00 3.17 7.99 -1.26 -2.17 117.00 125.96 1ibm n LEU 53 Ca -0.03 0.71 0.00 0.00 -0.01 0.00 0.00 56.01 56.68 1ibm n LEU 53 Cb 0.67 -1.27 0.00 0.00 -0.11 0.00 0.00 43.42 42.70 1ibm n LEU 53 CO 0.43 -2.61 0.00 0.61 -1.51 0.00 0.00 177.39 174.31 1ibm n GLY 54 N 1.54 3.03 3.77 -0.72 0.00 -0.75 -4.70 105.19 107.35 1ibm n GLY 54 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1ibm n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ibm s ASP 55 N -1.08 6.96 -0.21 1.61 1.01 -0.92 -2.48 116.67 121.56 1ibm s ASP 55 Ca 0.00 2.34 -0.09 0.00 0.71 0.00 0.00 52.55 55.50 1ibm s ASP 55 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 1ibm s ASP 55 CO 0.00 -0.37 0.12 -0.69 0.21 0.00 0.00 175.17 174.44 1ibm s VAL 56 N -1.27 5.24 0.07 -1.27 1.01 -0.40 -0.67 120.40 123.11 1ibm s VAL 56 Ca 0.49 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.61 1ibm s VAL 56 Cb -0.32 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1ibm s VAL 56 CO 0.41 0.42 -0.06 0.68 0.00 0.00 0.00 175.10 176.55 1ibm s VAL 57 N 0.55 0.49 0.19 2.92 -7.23 -0.39 -0.44 120.40 116.49 1ibm s VAL 57 Ca 0.07 -1.59 -0.20 0.00 -1.81 0.00 0.00 61.98 58.45 1ibm s VAL 57 Cb -0.12 -1.24 -0.08 0.00 0.56 0.00 0.00 36.38 35.51 1ibm s VAL 57 CO 0.00 -0.74 0.69 -1.61 -0.31 0.00 0.00 175.10 173.13 1ibm s GLU 58 N -3.05 4.26 0.12 4.82 2.02 0.65 -0.58 118.70 126.94 1ibm s GLU 58 Ca 0.03 0.86 0.10 0.00 0.02 0.00 0.00 54.97 55.97 1ibm s GLU 58 Cb 0.01 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 1ibm s GLU 58 CO -0.04 0.46 -0.25 0.42 0.02 0.00 0.00 175.26 175.87 1ibm s ILE 59 N -1.41 2.38 -0.03 -1.63 -1.09 0.93 -1.05 121.20 119.29 1ibm s ILE 59 Ca 0.39 -1.66 0.03 0.00 -2.23 0.00 0.00 60.65 57.18 1ibm s ILE 59 Cb -0.18 -2.05 0.00 0.00 -1.58 0.00 0.00 42.46 38.65 1ibm s ILE 59 CO 0.21 0.12 -0.13 -0.51 -1.23 0.00 0.00 174.94 173.41 1ibm s ILE 60 N -1.05 1.07 0.09 2.92 -1.16 -0.66 -0.61 121.20 121.80 1ibm s ILE 60 Ca 0.15 -0.51 -0.33 0.00 -0.51 0.00 0.00 60.65 59.44 1ibm s ILE 60 Cb -0.10 -0.93 -0.12 0.00 0.61 0.00 0.00 42.46 41.91 1ibm s ILE 60 CO 0.06 0.32 1.75 1.21 -2.81 0.00 0.00 174.94 175.47 1ibm n GLU 61 N 3.25 2.42 -1.76 3.50 2.13 0.14 -2.59 120.64 127.72 1ibm n GLU 61 Ca -0.18 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.51 1ibm n GLU 61 Cb 0.54 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.53 1ibm n GLU 61 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1ibm n SER 62 N 4.95 0.97 -4.83 4.31 7.64 0.93 -4.80 113.62 122.80 1ibm n SER 62 Ca 0.19 -0.88 -0.35 0.00 1.01 0.00 0.00 58.87 58.83 1ibm n SER 62 Cb 0.32 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.46 1ibm n SER 62 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1ibm s ARG 63 N -1.64 4.14 0.16 1.43 3.52 -1.26 -4.78 118.95 120.52 1ibm s ARG 63 Ca 0.00 0.74 -0.33 0.00 -0.13 0.00 0.00 55.73 56.01 1ibm s ARG 63 Cb 0.00 -2.79 -0.16 0.00 -1.56 0.00 0.00 34.95 30.45 1ibm s ARG 63 CO 0.00 0.36 1.22 -2.30 -0.81 0.00 0.00 175.30 173.76 1ibm n PRO 64 N 0.48 1.24 -0.00 5.12 -0.02 -1.26 -4.77 135.00 135.79 1ibm n PRO 64 Ca -0.02 0.44 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 1ibm n PRO 64 Cb 0.52 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1ibm n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1ibm n ILE 65 N 1.72 0.00 -3.71 4.25 5.41 -0.91 -5.04 119.36 121.08 1ibm n ILE 65 Ca 0.15 -0.14 0.03 0.00 1.00 0.00 0.00 62.75 63.80 1ibm n ILE 65 Cb 0.24 0.48 0.00 0.00 -0.71 0.00 0.00 39.64 39.65 1ibm n ILE 65 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1ibm s SER 66 N -2.35 -0.01 -0.05 4.38 1.04 -1.19 -4.97 113.70 110.55 1ibm s SER 66 Ca -0.01 -0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.06 1ibm s SER 66 Cb 0.03 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 1ibm s SER 66 CO 0.17 -0.11 1.32 -0.75 0.98 0.00 0.00 173.24 174.86 1ibm s LYS 67 N -2.10 4.29 0.00 4.02 2.20 -1.26 -2.70 119.74 124.19 1ibm s LYS 67 Ca 0.20 1.82 0.00 0.00 -0.36 0.00 0.00 55.97 57.63 1ibm s LYS 67 Cb 0.05 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 1ibm s LYS 67 CO -0.05 -0.57 0.00 -2.13 -0.36 0.00 0.00 175.35 172.24 1ibm n ARG 68 N 5.65 0.00 -2.81 4.03 3.00 -1.26 -5.01 116.66 120.26 1ibm n ARG 68 Ca 0.13 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.55 1ibm n ARG 68 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.87 1ibm n ARG 68 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1ibm s LYS 69 N 0.00 3.67 -0.02 -0.14 1.02 -1.10 -4.52 119.74 118.65 1ibm s LYS 69 Ca 0.00 0.34 0.02 0.00 0.02 0.00 0.00 55.97 56.36 1ibm s LYS 69 Cb 0.00 -3.87 0.04 0.00 -0.52 0.00 0.00 37.83 33.48 1ibm s LYS 69 CO 0.00 -1.10 0.81 0.54 -0.92 0.00 0.00 175.35 174.68 1ibm n ARG 70 N 7.00 0.75 -4.03 1.68 3.00 -1.26 -2.14 116.66 121.66 1ibm n ARG 70 Ca 0.07 -1.09 -0.09 0.00 -0.01 0.00 0.00 57.85 56.72 1ibm n ARG 70 Cb 0.48 -0.72 -0.11 0.00 0.00 0.00 0.00 32.46 32.11 1ibm n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ibm s PHE 71 N -0.56 0.41 0.14 -1.55 0.08 -1.26 -0.05 117.98 115.19 1ibm s PHE 71 Ca 0.04 -0.68 0.08 0.00 0.12 0.00 0.00 56.93 56.49 1ibm s PHE 71 Cb 0.04 -0.28 -0.04 0.00 -0.57 0.00 0.00 43.02 42.16 1ibm s PHE 71 CO 0.00 -0.22 -0.19 1.03 -0.10 0.00 0.00 175.22 175.74 1ibm s ARG 72 N -2.20 1.20 -0.52 0.44 0.52 -1.07 -0.18 118.95 117.13 1ibm s ARG 72 Ca -0.08 -1.30 -0.28 0.00 -0.52 0.00 0.00 55.73 53.55 1ibm s ARG 72 Cb -0.05 -1.33 0.02 0.00 0.52 0.00 0.00 34.95 34.11 1ibm s ARG 72 CO -0.03 0.29 1.35 0.08 0.02 0.00 0.00 175.30 177.00 1ibm s VAL 73 N -1.69 3.89 0.08 3.52 1.01 -1.17 -1.66 120.40 124.39 1ibm s VAL 73 Ca 0.11 0.82 -0.25 0.00 0.00 0.00 0.00 61.98 62.67 1ibm s VAL 73 Cb -0.07 -4.45 -0.16 0.00 0.00 0.00 0.00 36.38 31.69 1ibm s VAL 73 CO 0.05 -1.09 1.67 0.25 0.00 0.00 0.00 175.10 175.98 1ibm h LEU 74 N 12.51 -0.17 -7.06 3.92 6.46 -1.39 -3.48 115.31 126.10 1ibm h LEU 74 Ca -0.26 -0.03 0.24 0.00 -0.12 0.00 0.00 57.88 57.71 1ibm h LEU 74 Cb 1.09 0.04 -0.17 0.00 -0.73 0.00 0.00 40.66 40.89 1ibm h LEU 74 CO 1.15 -0.09 0.74 0.00 -0.62 0.00 0.00 178.44 179.63 1ibm s ARG 75 N -6.00 0.45 0.59 1.25 1.70 -1.20 -4.97 118.95 110.77 1ibm s ARG 75 Ca -0.14 -0.18 -0.14 0.00 -0.47 0.00 0.00 55.73 54.79 1ibm s ARG 75 Cb 0.05 0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 1ibm s ARG 75 CO 0.65 -0.20 1.03 -1.17 -1.08 0.00 0.00 175.30 174.53 1ibm s LEU 76 N -2.38 3.44 0.00 -1.89 0.20 -1.26 -0.25 118.68 116.53 1ibm s LEU 76 Ca 0.09 1.63 0.00 0.00 0.69 0.00 0.00 54.13 56.54 1ibm s LEU 76 Cb -0.00 -4.51 0.00 0.00 -0.43 0.00 0.00 46.19 41.25 1ibm s LEU 76 CO -0.05 -0.96 0.00 0.52 -0.29 0.00 0.00 176.35 175.57 1ibm n VAL 77 N -2.18 0.00 -3.61 1.68 0.31 0.42 -4.77 118.33 110.18 1ibm n VAL 77 Ca 0.07 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.37 1ibm n VAL 77 Cb 0.54 -0.42 -0.06 0.00 -0.91 0.00 0.00 33.84 32.98 1ibm n VAL 77 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1ibm s GLU 78 N -1.76 0.50 0.50 5.55 -1.05 -1.23 -5.01 118.70 116.20 1ibm s GLU 78 Ca 0.00 0.95 -0.07 0.00 -0.15 0.00 0.00 54.97 55.70 1ibm s GLU 78 Cb 0.00 0.23 0.11 0.00 -0.44 0.00 0.00 34.13 34.04 1ibm s GLU 78 CO 0.00 -0.12 0.67 0.45 0.95 0.00 0.00 175.26 177.21 1ibm n SER 79 N 4.27 0.17 0.00 0.83 2.88 -1.26 -1.27 113.62 119.24 1ibm n SER 79 Ca -0.17 -1.32 0.00 0.00 -1.33 0.00 0.00 58.87 56.05 1ibm n SER 79 Cb 0.56 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1ibm n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ibm n GLY 80 N 0.49 0.00 2.70 0.46 0.00 -1.26 -4.79 105.19 102.79 1ibm n GLY 80 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 1ibm n GLY 80 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ibm n ARG 81 N 1.08 0.43 0.27 1.61 1.85 -1.04 -4.97 116.66 115.89 1ibm n ARG 81 Ca 0.00 -1.16 0.10 0.00 -1.00 0.00 0.00 57.85 55.79 1ibm n ARG 81 Cb 0.00 -0.71 0.71 0.00 -1.05 0.00 0.00 32.46 31.40 1ibm n ARG 81 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 177.63 178.14 1ibm h MET 82 N 3.31 0.00 -1.10 2.89 2.86 -1.92 -2.89 114.93 118.08 1ibm h MET 82 Ca -0.20 0.00 0.41 0.00 -2.06 0.00 0.00 59.70 57.84 1ibm h MET 82 Cb 1.14 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.64 1ibm h MET 82 CO 0.04 0.03 0.64 0.38 1.06 0.00 0.00 176.91 179.05 1ibm h ASP 83 N 0.00 0.34 0.31 1.22 2.03 -1.96 1.00 116.42 119.36 1ibm h ASP 83 Ca -0.00 0.21 -0.02 0.00 -0.73 0.00 0.00 57.03 56.50 1ibm h ASP 83 Cb 0.06 0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.76 1ibm h ASP 83 CO 0.00 -0.30 -0.15 -0.07 -1.03 0.00 0.00 179.24 177.69 1ibm h LEU 84 N 0.09 -0.35 -0.79 0.15 3.38 -1.91 -2.54 115.31 113.34 1ibm h LEU 84 Ca 0.82 -0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.76 1ibm h LEU 84 Cb 2.24 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 42.97 1ibm h LEU 84 CO -0.64 0.05 0.31 0.58 0.09 0.00 0.00 178.44 178.84 1ibm h VAL 85 N -0.82 0.61 -0.04 1.22 2.07 -0.56 -2.28 116.25 116.45 1ibm h VAL 85 Ca -0.04 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1ibm h VAL 85 Cb 0.52 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1ibm h VAL 85 CO 0.07 0.08 -0.07 -0.33 0.02 0.00 0.00 177.57 177.34 1ibm h GLU 86 N 0.43 -0.06 -0.84 1.57 4.39 0.10 0.41 114.58 120.58 1ibm h GLU 86 Ca 0.45 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.29 1ibm h GLU 86 Cb 0.73 0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 29.24 1ibm h GLU 86 CO -0.44 -0.04 -0.33 0.87 -1.16 0.00 0.00 179.01 177.91 1ibm h LYS 87 N -0.06 -0.05 -0.22 2.33 1.57 -1.00 0.24 116.57 119.38 1ibm h LYS 87 Ca 0.01 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1ibm h LYS 87 Cb 0.08 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1ibm h LYS 87 CO -0.07 -0.03 -0.09 -0.92 -0.57 0.00 0.00 179.45 177.77 1ibm h TYR 88 N -0.05 -0.21 -1.00 -1.35 3.20 -0.85 -2.06 116.97 114.64 1ibm h TYR 88 Ca 0.33 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.28 1ibm h TYR 88 Cb 0.59 0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.92 1ibm h TYR 88 CO -0.75 -0.14 0.65 -0.07 -1.64 0.00 0.00 178.16 176.21 1ibm h LEU 89 N -0.06 1.05 -0.30 2.82 3.38 0.30 -2.67 115.31 119.84 1ibm h LEU 89 Ca 0.11 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1ibm h LEU 89 Cb 0.23 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ibm h LEU 89 CO -0.26 0.68 -0.35 0.40 0.09 0.00 0.00 178.44 179.01 1ibm h ILE 90 N 1.20 1.29 -0.81 1.22 2.04 -0.79 -2.41 117.51 119.26 1ibm h ILE 90 Ca 0.42 -1.53 0.17 0.00 1.00 0.00 0.00 64.86 64.93 1ibm h ILE 90 Cb 0.13 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 1ibm h ILE 90 CO -0.16 0.49 0.54 -0.09 0.00 0.00 0.00 178.15 178.93 1ibm h ARG 91 N 0.52 0.36 -0.31 2.37 2.43 -1.07 0.38 114.38 119.07 1ibm h ARG 91 Ca 0.04 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 1ibm h ARG 91 Cb 0.93 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1ibm h ARG 91 CO 0.08 0.24 -0.42 -0.09 -1.51 0.00 0.00 179.97 178.28 1ibm h ARG 92 N 0.37 0.76 -0.31 0.20 2.43 -1.14 -3.28 114.38 113.41 1ibm h ARG 92 Ca 0.40 -0.41 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1ibm h ARG 92 Cb 1.02 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 1ibm h ARG 92 CO -0.13 1.03 -0.42 1.96 -1.51 0.00 0.00 179.97 180.90 1ibm h GLN 93 N 0.62 0.77 -0.31 0.20 4.20 0.20 -2.98 115.11 117.80 1ibm h GLN 93 Ca 0.05 -0.41 0.03 0.00 0.06 0.00 0.00 58.65 58.37 1ibm h GLN 93 Cb 0.97 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 1ibm h GLN 93 CO 0.09 1.04 0.21 -0.91 -0.67 0.00 0.00 178.83 178.59 1ibm h ASN 94 N 0.62 0.27 0.13 1.46 2.35 -1.38 -2.60 115.58 116.44 1ibm h ASN 94 Ca 0.05 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1ibm h ASN 94 Cb 0.98 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 1ibm h ASN 94 CO 0.09 0.19 -0.12 1.88 -1.65 0.00 0.00 177.43 177.82 1ibm h TYR 95 N 0.32 -0.34 -0.18 1.19 -1.99 -1.58 -3.25 116.97 111.15 1ibm h TYR 95 Ca 0.13 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.76 1ibm h TYR 95 Cb 0.11 0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.94 1ibm h TYR 95 CO -0.00 -0.16 0.65 0.94 -0.00 0.00 0.00 178.16 179.59 1ibm n GLN 96 N -3.03 0.28 0.00 4.88 0.00 -0.98 -1.65 117.38 116.88 1ibm n GLN 96 Ca -0.03 -0.68 0.00 0.00 -0.00 0.00 0.00 57.00 56.29 1ibm n GLN 96 Cb 0.11 -2.76 0.00 0.00 0.00 0.00 0.00 30.24 27.59 1ibm n GLN 96 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1ibm n SER 97 N 14.07 0.00 -3.26 1.69 3.41 -1.25 -4.63 113.62 123.65 1ibm n SER 97 Ca 0.48 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.86 1ibm n SER 97 Cb 0.36 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 1ibm n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ibm n LEU 98 N 0.00 0.58 0.02 1.04 -0.00 -0.66 -1.87 117.00 116.10 1ibm n LEU 98 Ca 0.00 -1.28 0.00 0.00 -0.00 0.00 0.00 56.01 54.73 1ibm n LEU 98 Cb 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 43.42 42.91 1ibm n LEU 98 CO 0.00 -1.60 -0.15 -1.54 -0.00 0.00 0.00 177.39 174.10 1ibm n SER 99 N 7.01 0.05 0.00 1.45 3.41 -1.26 -4.82 113.62 119.44 1ibm n SER 99 Ca 0.24 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1ibm n SER 99 Cb 0.21 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1ibm n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ibm n LYS 100 N -2.81 0.00 0.00 4.33 5.02 -1.25 -4.94 118.16 118.51 1ibm n LYS 100 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1ibm n LYS 100 Cb 0.15 -0.10 -0.03 0.00 -0.02 0.00 0.00 35.03 35.03 1ibm n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ibm h ARG 101 N 0.00 -0.12 0.00 1.97 2.47 -1.96 -3.51 114.38 113.23 1ibm h ARG 101 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1ibm h ARG 101 Cb 0.15 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1ibm h ARG 101 CO 0.00 0.04 0.00 0.41 0.56 0.00 0.00 179.97 180.98 1ibm n GLY 102 N 1.39 4.42 1.07 0.04 0.00 -0.78 -5.01 105.19 106.32 1ibm n GLY 102 Ca -0.03 -1.03 -0.06 0.00 0.00 0.00 0.00 46.02 44.90 1ibm n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibm n GLY 103 N -1.73 -2.14 0.00 -0.02 0.00 -1.24 -3.49 105.19 96.57 1ibm n GLY 103 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1ibm n GLY 103 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ibm n LYS 104 N -1.42 0.00 0.00 1.61 0.00 -1.26 -4.65 118.16 112.44 1ibm n LYS 104 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.34 1ibm n LYS 104 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.15 1ibm n LYS 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40