#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c8p s ILE 2 N 0.00 2.72 0.00 1.12 -1.16 -1.26 -5.03 121.20 117.59 1c8p s ILE 2 Ca 0.00 0.32 0.00 0.00 -0.51 0.00 0.00 60.65 60.46 1c8p s ILE 2 Cb 0.00 -2.81 0.00 0.00 0.61 0.00 0.00 42.46 40.26 1c8p s ILE 2 CO 0.00 -0.22 0.00 1.67 -2.81 0.00 0.00 174.94 173.58 1c8p n GLN 3 N -2.82 0.00 -3.54 3.50 7.27 -1.26 -4.97 117.38 115.55 1c8p n GLN 3 Ca 0.12 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.78 1c8p n GLN 3 Cb 0.51 -0.01 -0.11 0.00 2.41 0.00 0.00 30.24 33.05 1c8p n GLN 3 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 1c8p s MET 4 N 0.00 3.33 -0.36 3.69 1.75 -1.26 -5.03 119.30 121.43 1c8p s MET 4 Ca 0.00 -0.75 -0.30 0.00 -1.25 0.00 0.00 55.69 53.39 1c8p s MET 4 Cb 0.00 -3.79 -0.08 0.00 2.84 0.00 0.00 34.83 33.80 1c8p s MET 4 CO 0.00 -0.51 2.29 0.00 -0.65 0.00 0.00 175.02 176.15 1c8p n ALA 5 N 5.09 1.28 -1.68 4.11 0.00 -1.26 -4.42 120.51 123.63 1c8p n ALA 5 Ca -0.12 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 1c8p n ALA 5 Cb 0.49 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 17.09 1c8p n ALA 5 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1c8p n PRO 6 N 8.65 1.85 0.00 0.00 -0.02 -1.26 -4.93 135.00 139.29 1c8p n PRO 6 Ca 0.37 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1c8p n PRO 6 Cb 0.39 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1c8p n PRO 6 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1c8p n PRO 7 N 0.25 1.12 -3.72 0.52 -0.02 -1.26 -4.92 135.00 126.97 1c8p n PRO 7 Ca 0.07 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.17 1c8p n PRO 7 Cb 0.38 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.75 1c8p n PRO 7 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1c8p s SER 8 N -2.16 5.37 0.09 2.55 0.15 -1.25 -4.81 113.70 113.64 1c8p s SER 8 Ca 0.00 -1.68 -0.21 0.00 0.70 0.00 0.00 55.95 54.75 1c8p s SER 8 Cb 0.00 -1.88 -0.07 0.00 -1.71 0.00 0.00 66.02 62.36 1c8p s SER 8 CO 0.00 -0.50 0.64 -0.76 1.20 0.00 0.00 173.24 173.81 1c8p s LEU 9 N 1.29 4.54 -0.28 3.45 1.43 -1.26 -3.81 118.68 124.03 1c8p s LEU 9 Ca 0.04 1.37 -0.18 0.00 -1.03 0.00 0.00 54.13 54.33 1c8p s LEU 9 Cb -0.23 -3.02 0.08 0.00 0.03 0.00 0.00 46.19 43.06 1c8p s LEU 9 CO -0.01 0.24 0.71 0.54 0.23 0.00 0.00 176.35 178.06 1c8p s ASN 10 N -1.02 -0.89 -0.14 2.29 2.20 -1.11 -4.93 114.94 111.34 1c8p s ASN 10 Ca 0.31 1.47 -0.09 0.00 -0.94 0.00 0.00 52.86 53.61 1c8p s ASN 10 Cb -0.20 1.39 -0.05 0.00 -2.00 0.00 0.00 41.25 40.39 1c8p s ASN 10 CO 0.21 -0.24 0.18 0.68 -2.94 0.00 0.00 177.10 175.00 1c8p s VAL 11 N 1.41 5.41 -0.08 3.54 -7.23 -1.26 0.13 120.40 122.32 1c8p s VAL 11 Ca -0.08 0.30 -0.01 0.00 -1.81 0.00 0.00 61.98 60.39 1c8p s VAL 11 Cb -0.05 -3.48 0.03 0.00 0.56 0.00 0.00 36.38 33.44 1c8p s VAL 11 CO -0.16 0.54 -0.03 0.42 -0.31 0.00 0.00 175.10 175.56 1c8p s THR 12 N -0.46 0.61 0.14 5.32 -4.23 0.20 -4.92 115.64 112.30 1c8p s THR 12 Ca 0.14 -0.04 -0.24 0.00 -1.18 0.00 0.00 61.69 60.37 1c8p s THR 12 Cb -0.12 -0.70 -0.08 0.00 1.34 0.00 0.00 72.50 72.94 1c8p s THR 12 CO 0.03 0.29 0.73 -0.75 -0.54 0.00 0.00 174.62 174.38 1c8p s LYS 13 N 1.74 4.48 -0.78 3.99 2.20 -1.26 -2.70 119.74 127.41 1c8p s LYS 13 Ca 0.03 1.06 -0.00 0.00 -0.36 0.00 0.00 55.97 56.69 1c8p s LYS 13 Cb -0.13 -3.26 0.36 0.00 -1.51 0.00 0.00 37.83 33.29 1c8p s LYS 13 CO -0.05 0.58 1.77 -3.47 -0.36 0.00 0.00 175.35 173.83 1c8p n ASP 14 N 1.64 6.83 0.00 1.43 2.03 -0.36 -4.74 116.55 123.38 1c8p n ASP 14 Ca -0.07 -3.79 0.00 0.00 0.52 0.00 0.00 54.79 51.45 1c8p n ASP 14 Cb 0.49 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 1c8p n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c8p n GLY 15 N -0.45 0.74 0.11 0.27 0.00 -1.26 -4.58 105.19 100.03 1c8p n GLY 15 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1c8p n GLY 15 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1c8p n ASP 16 N 0.00 -0.11 -4.76 1.61 -0.08 -1.26 -5.14 116.55 106.81 1c8p n ASP 16 Ca 0.00 0.25 -0.37 0.00 -1.51 0.00 0.00 54.79 53.16 1c8p n ASP 16 Cb 0.00 0.34 0.02 0.00 2.34 0.00 0.00 41.12 43.82 1c8p n ASP 16 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1c8p s SER 17 N -1.48 5.49 0.11 1.67 0.01 -1.26 -4.95 113.70 113.29 1c8p s SER 17 Ca 0.00 2.42 0.06 0.00 1.31 0.00 0.00 55.95 59.74 1c8p s SER 17 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1c8p s SER 17 CO 0.00 -1.39 -0.05 -0.31 0.41 0.00 0.00 173.24 171.90 1c8p s TYR 18 N -1.54 2.85 -0.15 2.43 1.51 -1.26 -1.22 117.35 119.96 1c8p s TYR 18 Ca 0.73 -0.11 -0.19 0.00 -1.01 0.00 0.00 57.07 56.49 1c8p s TYR 18 Cb -0.31 -1.46 0.05 0.00 -0.11 0.00 0.00 41.96 40.13 1c8p s TYR 18 CO 0.35 0.46 0.50 -1.12 -1.11 0.00 0.00 175.55 174.64 1c8p s SER 19 N -2.39 -0.50 0.34 2.29 0.01 -1.10 -1.99 113.70 110.36 1c8p s SER 19 Ca 0.24 0.87 -0.03 0.00 1.31 0.00 0.00 55.95 58.34 1c8p s SER 19 Cb -0.11 0.89 -0.04 0.00 0.21 0.00 0.00 66.02 66.97 1c8p s SER 19 CO 0.16 -0.26 0.59 -0.76 0.41 0.00 0.00 173.24 173.38 1c8p s LEU 20 N -0.11 3.97 -0.23 2.44 1.43 -0.83 0.60 118.68 125.96 1c8p s LEU 20 Ca -0.03 0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1c8p s LEU 20 Cb -0.03 -3.53 0.08 0.00 0.03 0.00 0.00 46.19 42.73 1c8p s LEU 20 CO 0.02 -0.29 0.08 -0.60 0.23 0.00 0.00 176.35 175.79 1c8p s ARG 21 N -3.97 0.41 -0.11 1.70 3.52 0.34 -2.46 118.95 118.39 1c8p s ARG 21 Ca 0.43 -0.47 0.01 0.00 -0.13 0.00 0.00 55.73 55.58 1c8p s ARG 21 Cb -0.10 -1.80 0.02 0.00 -1.56 0.00 0.00 34.95 31.50 1c8p s ARG 21 CO 0.34 -0.79 -0.13 1.67 -0.81 0.00 0.00 175.30 175.57 1c8p s TRP 22 N 1.94 1.82 -0.09 5.12 -2.14 0.51 -2.74 118.94 123.36 1c8p s TRP 22 Ca 0.04 -0.85 0.02 0.00 2.66 0.00 0.00 56.10 57.97 1c8p s TRP 22 Cb -0.17 -1.35 -0.02 0.00 -3.10 0.00 0.00 33.47 28.84 1c8p s TRP 22 CO -0.18 -0.47 -0.16 -1.21 -2.66 0.00 0.00 176.95 172.28 1c8p s GLU 23 N 1.10 2.95 0.19 3.25 2.02 -1.26 -4.20 118.70 122.75 1c8p s GLU 23 Ca -0.05 -0.73 -0.03 0.00 0.02 0.00 0.00 54.97 54.18 1c8p s GLU 23 Cb -0.14 -2.46 -0.05 0.00 0.10 0.00 0.00 34.13 31.58 1c8p s GLU 23 CO -0.03 0.37 0.41 0.95 0.02 0.00 0.00 175.26 176.98 1c8p s THR 24 N -0.08 5.16 -0.04 3.63 -4.23 -1.26 -3.93 115.64 114.90 1c8p s THR 24 Ca -0.03 -0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1c8p s THR 24 Cb -0.14 -3.69 0.05 0.00 1.34 0.00 0.00 72.50 70.06 1c8p s THR 24 CO 0.04 -0.11 0.54 0.23 -0.54 0.00 0.00 174.62 174.78 1c8p n MET 25 N -0.39 0.16 -0.37 3.99 2.81 -1.26 -4.95 117.12 117.12 1c8p n MET 25 Ca -0.03 -0.41 0.07 0.00 -1.81 0.00 0.00 57.70 55.53 1c8p n MET 25 Cb 0.53 0.40 0.23 0.00 -0.71 0.00 0.00 33.22 33.67 1c8p n MET 25 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1c8p n LYS 26 N -0.18 3.01 0.00 0.03 4.01 -1.26 -4.69 118.16 119.08 1c8p n LYS 26 Ca -0.10 -2.57 0.00 0.00 -0.51 0.00 0.00 58.31 55.14 1c8p n LYS 26 Cb 0.49 -1.65 0.00 0.00 -0.51 0.00 0.00 35.03 33.36 1c8p n LYS 26 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1c8p n MET 27 N -0.01 0.00 -1.71 1.97 0.00 -1.26 -5.02 117.12 111.09 1c8p n MET 27 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 57.70 57.70 1c8p n MET 27 Cb 0.73 -0.03 -0.06 0.00 0.00 0.00 0.00 33.22 33.85 1c8p n MET 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1c8p n ARG 28 N -2.38 -1.49 -0.12 0.03 1.74 -1.26 -4.95 116.66 108.22 1c8p n ARG 28 Ca 0.00 1.05 -0.07 0.00 -0.77 0.00 0.00 57.85 58.05 1c8p n ARG 28 Cb 0.00 -5.45 0.07 0.00 -1.02 0.00 0.00 32.46 26.06 1c8p n ARG 28 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1c8p n TYR 29 N -2.54 -2.71 -0.75 -1.55 4.01 -1.26 -5.05 117.16 107.30 1c8p n TYR 29 Ca -0.19 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 1c8p n TYR 29 Cb 0.62 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 1c8p n TYR 29 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1c8p n GLU 30 N -2.71 1.36 -1.59 -0.72 4.07 -1.26 -4.85 120.64 114.93 1c8p n GLU 30 Ca 0.03 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.99 1c8p n GLU 30 Cb 0.14 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.43 1c8p n GLU 30 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1c8p s HIS 31 N 0.41 1.18 0.00 4.31 3.76 -1.26 -4.69 115.29 118.99 1c8p s HIS 31 Ca 0.00 2.23 0.00 0.00 -0.15 0.00 0.00 55.06 57.14 1c8p s HIS 31 Cb 0.00 -3.35 0.00 0.00 1.11 0.00 0.00 32.58 30.34 1c8p s HIS 31 CO 0.00 -0.98 0.00 -0.89 -0.85 0.00 0.00 174.74 172.02 1c8p n ILE 32 N 8.98 0.00 0.00 0.60 5.41 -1.26 -5.04 119.36 128.05 1c8p n ILE 32 Ca 0.43 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.18 1c8p n ILE 32 Cb 0.46 -0.50 0.00 0.00 -0.71 0.00 0.00 39.64 38.89 1c8p n ILE 32 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1c8p n ASP 33 N -0.66 0.00 -3.39 4.38 8.00 -1.25 -4.78 116.55 118.84 1c8p n ASP 33 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 1c8p n ASP 33 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1c8p n ASP 33 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1c8p n HIS 34 N 0.00 -2.41 -1.23 1.24 8.25 -0.73 -2.54 115.22 117.79 1c8p n HIS 34 Ca 0.00 1.01 -0.30 0.00 -0.26 0.00 0.00 57.72 58.17 1c8p n HIS 34 Cb 0.00 -1.74 0.11 0.00 1.12 0.00 0.00 29.99 29.48 1c8p n HIS 34 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1c8p s THR 35 N -1.56 3.02 -0.09 1.59 2.01 -1.25 -3.47 115.64 115.87 1c8p s THR 35 Ca 0.31 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.63 1c8p s THR 35 Cb -0.03 -2.81 0.03 0.00 0.01 0.00 0.00 72.50 69.69 1c8p s THR 35 CO 0.82 -0.43 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.93 1c8p s PHE 36 N -2.92 1.02 -0.81 4.92 0.08 0.55 -1.45 117.98 119.38 1c8p s PHE 36 Ca 0.62 -0.44 -0.22 0.00 0.12 0.00 0.00 56.93 57.02 1c8p s PHE 36 Cb -0.18 -0.99 0.09 0.00 -0.57 0.00 0.00 43.02 41.37 1c8p s PHE 36 CO 0.56 -0.42 1.11 -1.21 -0.10 0.00 0.00 175.22 175.16 1c8p s GLU 37 N 1.86 3.35 0.07 0.44 2.02 0.15 -0.47 118.70 126.11 1c8p s GLU 37 Ca 0.05 -1.15 -0.25 0.00 0.02 0.00 0.00 54.97 53.64 1c8p s GLU 37 Cb -0.13 -4.61 -0.06 0.00 0.10 0.00 0.00 34.13 29.43 1c8p s GLU 37 CO -0.07 -1.88 0.76 0.42 0.02 0.00 0.00 175.26 174.52 1c8p s ILE 38 N 3.83 4.65 -0.01 -1.63 1.09 0.44 -2.08 121.20 127.49 1c8p s ILE 38 Ca 0.30 1.63 0.01 0.00 -1.10 0.00 0.00 60.65 61.49 1c8p s ILE 38 Cb -0.10 -4.11 0.00 0.00 -1.06 0.00 0.00 42.46 37.19 1c8p s ILE 38 CO 0.01 0.41 -0.02 -1.58 -0.10 0.00 0.00 174.94 173.65 1c8p s GLN 39 N -0.34 0.23 -0.19 2.79 2.00 -0.83 0.89 119.66 124.21 1c8p s GLN 39 Ca 0.38 -0.08 -0.05 0.00 -2.00 0.00 0.00 55.36 53.61 1c8p s GLN 39 Cb -0.21 -0.25 0.07 0.00 0.80 0.00 0.00 33.01 33.43 1c8p s GLN 39 CO 0.24 0.03 0.12 1.52 -0.50 0.00 0.00 175.29 176.70 1c8p s TYR 40 N 0.07 0.09 0.00 1.67 1.13 -1.24 -0.64 117.35 118.44 1c8p s TYR 40 Ca -0.00 -0.25 0.00 0.00 -1.41 0.00 0.00 57.07 55.41 1c8p s TYR 40 Cb -0.03 -0.64 0.00 0.00 -1.10 0.00 0.00 41.96 40.20 1c8p s TYR 40 CO -0.00 -0.56 0.00 2.89 -2.51 0.00 0.00 175.55 175.36 1c8p n ARG 41 N 5.29 3.25 -3.96 -3.49 -4.01 0.25 -3.73 116.66 110.26 1c8p n ARG 41 Ca -0.07 0.00 -0.09 0.00 -1.04 0.00 0.00 57.85 56.65 1c8p n ARG 41 Cb 0.48 0.00 -0.11 0.00 -3.04 0.00 0.00 32.46 29.80 1c8p n ARG 41 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 1c8p s LYS 42 N 2.10 0.40 0.62 2.89 3.01 -1.26 -1.47 119.74 126.02 1c8p s LYS 42 Ca 0.00 -0.61 0.31 0.00 -1.01 0.00 0.00 55.97 54.66 1c8p s LYS 42 Cb 0.00 0.15 1.68 0.00 -1.01 0.00 0.00 37.83 38.65 1c8p s LYS 42 CO 0.00 -0.08 2.02 0.22 0.51 0.00 0.00 175.35 178.02 1c8p h ASP 43 N 4.38 0.00 0.02 2.83 3.58 -1.85 -2.19 116.42 123.19 1c8p h ASP 43 Ca -0.32 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 56.76 1c8p h ASP 43 Cb 1.20 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.20 1c8p h ASP 43 CO 0.43 0.00 -2.11 0.35 -2.88 0.00 0.00 179.24 175.03 1c8p n THR 44 N -3.44 1.57 -2.10 2.25 -2.24 -1.26 -4.99 114.28 104.07 1c8p n THR 44 Ca 0.02 -0.39 -0.28 0.00 -2.27 0.00 0.00 64.05 61.13 1c8p n THR 44 Cb 0.40 -1.79 0.14 0.00 -2.10 0.00 0.00 70.33 66.98 1c8p n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c8p s ALA 45 N -2.48 2.73 0.24 6.98 0.00 -0.82 -5.10 121.76 123.31 1c8p s ALA 45 Ca -0.32 -1.19 0.09 0.00 0.00 0.00 0.00 51.96 50.53 1c8p s ALA 45 Cb 0.10 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 1c8p s ALA 45 CO 0.59 -1.96 0.01 0.95 0.00 0.00 0.00 175.76 175.36 1c8p s THR 46 N -3.60 3.59 0.24 0.00 -4.23 -1.26 -4.10 115.64 106.29 1c8p s THR 46 Ca 0.69 -1.74 -0.05 0.00 -1.18 0.00 0.00 61.69 59.40 1c8p s THR 46 Cb -0.06 -2.89 0.24 0.00 1.34 0.00 0.00 72.50 71.12 1c8p s THR 46 CO 0.49 -0.30 1.68 -0.50 -0.54 0.00 0.00 174.62 175.45 1c8p h TRP 47 N 2.08 0.24 -1.09 3.99 4.06 -1.95 0.23 115.95 123.51 1c8p h TRP 47 Ca -0.45 0.04 0.32 0.00 2.06 0.00 0.00 58.89 60.86 1c8p h TRP 47 Cb 1.24 0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 29.36 1c8p h TRP 47 CO 0.66 -0.10 0.88 1.57 -3.56 0.00 0.00 178.44 177.88 1c8p h LYS 48 N 0.25 0.00 0.02 0.49 5.09 -2.01 0.57 116.57 120.99 1c8p h LYS 48 Ca 0.41 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.87 1c8p h LYS 48 Cb 0.71 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.00 1c8p h LYS 48 CO -0.52 0.00 -1.62 0.22 -2.09 0.00 0.00 179.45 175.44 1c8p h ASP 49 N 0.00 0.08 -3.34 7.07 3.58 -0.96 -3.48 116.42 119.37 1c8p h ASP 49 Ca 0.52 -0.15 -0.55 0.00 0.42 0.00 0.00 57.03 57.27 1c8p h ASP 49 Cb 2.27 -0.03 0.19 0.00 1.72 0.00 0.00 39.33 43.49 1c8p h ASP 49 CO -0.01 1.13 -0.38 -1.54 -2.88 0.00 0.00 179.24 175.56 1c8p n SER 50 N -3.17 -1.24 -4.71 2.28 3.41 0.20 -4.96 113.62 105.43 1c8p n SER 50 Ca -0.16 0.52 -0.37 0.00 -0.26 0.00 0.00 58.87 58.61 1c8p n SER 50 Cb 1.03 -1.24 -0.07 0.00 -0.26 0.00 0.00 64.21 63.67 1c8p n SER 50 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1c8p s LYS 51 N -3.09 4.22 -0.25 4.33 1.02 -1.24 -4.91 119.74 119.82 1c8p s LYS 51 Ca 0.64 0.09 -0.19 0.00 0.02 0.00 0.00 55.97 56.53 1c8p s LYS 51 Cb -0.31 -3.46 -0.03 0.00 -0.52 0.00 0.00 37.83 33.51 1c8p s LYS 51 CO 0.60 0.15 0.55 0.99 -0.92 0.00 0.00 175.35 176.72 1c8p s THR 52 N 0.73 5.05 -0.08 2.17 2.01 -1.26 -3.59 115.64 120.68 1c8p s THR 52 Ca 0.16 0.98 0.02 0.00 0.31 0.00 0.00 61.69 63.16 1c8p s THR 52 Cb -0.13 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 1c8p s THR 52 CO 0.05 0.08 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.23 1c8p s GLU 53 N 2.26 2.79 -0.40 4.92 -6.30 0.26 -4.95 118.70 117.28 1c8p s GLU 53 Ca 0.23 -0.68 -0.06 0.00 -2.50 0.00 0.00 54.97 51.96 1c8p s GLU 53 Cb -0.16 -2.47 0.08 0.00 0.00 0.00 0.00 34.13 31.59 1c8p s GLU 53 CO 0.09 0.50 0.20 0.95 0.02 0.00 0.00 175.26 177.02 1c8p s THR 54 N -0.40 3.75 -0.13 -1.70 -4.23 -1.26 0.17 115.64 111.84 1c8p s THR 54 Ca 0.05 -1.59 -0.19 0.00 -1.18 0.00 0.00 61.69 58.78 1c8p s THR 54 Cb -0.12 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 1c8p s THR 54 CO 0.02 -0.49 0.52 -0.76 -0.54 0.00 0.00 174.62 173.36 1c8p s LEU 55 N 1.31 4.25 -0.40 4.79 2.01 0.38 -4.90 118.68 126.12 1c8p s LEU 55 Ca 0.03 0.82 -0.23 0.00 0.01 0.00 0.00 54.13 54.77 1c8p s LEU 55 Cb -0.22 -2.75 0.02 0.00 0.01 0.00 0.00 46.19 43.24 1c8p s LEU 55 CO -0.00 -0.06 0.76 -1.10 1.01 0.00 0.00 176.35 176.95 1c8p s GLN 56 N 0.92 3.59 -0.81 1.70 -1.52 -1.26 -0.33 119.66 121.95 1c8p s GLN 56 Ca 0.27 0.08 -0.07 0.00 -1.95 0.00 0.00 55.36 53.69 1c8p s GLN 56 Cb -0.15 -3.87 0.06 0.00 -0.22 0.00 0.00 33.01 28.83 1c8p s GLN 56 CO 0.11 -0.95 0.23 0.27 -0.25 0.00 0.00 175.29 174.70 1c8p n ASN 57 N 6.48 -2.24 -4.86 5.90 0.23 -1.05 -4.91 115.26 114.81 1c8p n ASN 57 Ca 0.02 -0.08 -0.32 0.00 -0.53 0.00 0.00 54.58 53.67 1c8p n ASN 57 Cb 0.48 -1.95 -0.05 0.00 -2.08 0.00 0.00 39.78 36.18 1c8p n ASN 57 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1c8p s ALA 58 N -2.54 3.82 -0.24 -2.53 0.00 -1.26 -5.01 121.76 114.00 1c8p s ALA 58 Ca 0.25 -0.84 0.12 0.00 0.00 0.00 0.00 51.96 51.48 1c8p s ALA 58 Cb -0.14 -1.73 0.48 0.00 0.00 0.00 0.00 23.12 21.73 1c8p s ALA 58 CO 0.30 0.75 1.40 0.72 0.00 0.00 0.00 175.76 178.94 1c8p n HIS 59 N 0.79 0.83 -3.62 0.00 8.25 -1.26 -4.86 115.22 115.35 1c8p n HIS 59 Ca -0.10 -1.38 -0.04 0.00 -0.26 0.00 0.00 57.72 55.94 1c8p n HIS 59 Cb 0.52 -0.40 -0.04 0.00 1.12 0.00 0.00 29.99 31.20 1c8p n HIS 59 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1c8p s SER 60 N -2.52 -0.13 0.03 0.41 1.04 -1.26 -0.36 113.70 110.91 1c8p s SER 60 Ca 0.42 0.12 0.05 0.00 0.48 0.00 0.00 55.95 57.02 1c8p s SER 60 Cb 0.38 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 1c8p s SER 60 CO 0.01 -0.13 -0.14 -0.32 0.98 0.00 0.00 173.24 173.64 1c8p s MET 61 N -1.24 0.93 -1.12 4.02 1.75 -1.03 -4.93 119.30 117.69 1c8p s MET 61 Ca 0.06 -0.71 -0.08 0.00 -1.25 0.00 0.00 55.69 53.71 1c8p s MET 61 Cb -0.01 -0.92 0.28 0.00 2.84 0.00 0.00 34.83 37.02 1c8p s MET 61 CO -0.05 0.23 1.21 0.00 -0.65 0.00 0.00 175.02 175.76 1c8p n ALA 62 N 2.01 4.43 -1.67 4.11 0.00 -1.26 -1.97 120.51 126.17 1c8p n ALA 62 Ca -0.18 -4.68 -0.65 0.00 0.00 0.00 0.00 53.44 47.93 1c8p n ALA 62 Cb 0.55 -2.46 -0.09 0.00 0.00 0.00 0.00 19.45 17.44 1c8p n ALA 62 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1c8p n LEU 63 N 2.50 0.83 0.00 0.00 4.77 -0.84 -4.92 117.00 119.34 1c8p n LEU 63 Ca 0.25 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.41 1c8p n LEU 63 Cb 0.38 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1c8p n LEU 63 CO 0.53 -1.17 0.00 -0.81 -1.33 0.00 0.00 177.39 174.61 1c8p n PRO 64 N 3.21 0.00 -3.03 3.23 -0.04 -1.26 -4.50 135.00 132.60 1c8p n PRO 64 Ca 0.27 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.30 1c8p n PRO 64 Cb -0.02 -0.21 -0.06 0.00 -0.04 0.00 0.00 33.50 33.17 1c8p n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c8p s ALA 65 N -4.25 3.30 0.00 0.55 0.00 -1.26 -5.01 121.76 115.09 1c8p s ALA 65 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1c8p s ALA 65 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1c8p s ALA 65 CO 0.00 -2.07 0.00 1.28 0.00 0.00 0.00 175.76 174.97 1c8p n LEU 66 N 6.64 0.00 -3.47 0.00 4.77 -1.26 -5.05 117.00 118.62 1c8p n LEU 66 Ca -0.02 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.75 1c8p n LEU 66 Cb 0.47 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 1c8p n LEU 66 CO 0.57 0.00 -0.23 -1.61 -1.33 0.00 0.00 177.39 174.80 1c8p s GLU 67 N 1.43 0.24 0.97 3.23 0.41 -1.26 -5.15 118.70 118.57 1c8p s GLU 67 Ca 0.00 -0.10 -0.12 0.00 -0.41 0.00 0.00 54.97 54.34 1c8p s GLU 67 Cb 0.00 -1.01 0.10 0.00 -1.78 0.00 0.00 34.13 31.45 1c8p s GLU 67 CO 0.00 -0.88 0.72 -2.30 -0.49 0.00 0.00 175.26 172.31 1c8p n PRO 68 N 5.30 -0.61 -3.93 0.39 -0.02 -1.26 -3.09 135.00 131.78 1c8p n PRO 68 Ca -0.04 -0.13 -0.31 0.00 -2.02 0.00 0.00 63.50 61.00 1c8p n PRO 68 Cb 0.47 -2.08 0.01 0.00 -0.02 0.00 0.00 33.50 31.88 1c8p n PRO 68 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1c8p n SER 69 N -2.78 -4.34 -3.62 2.55 3.41 -0.84 -4.89 113.62 103.10 1c8p n SER 69 Ca 0.08 -0.79 -0.16 0.00 -0.26 0.00 0.00 58.87 57.74 1c8p n SER 69 Cb 0.54 -3.49 -0.07 0.00 -0.26 0.00 0.00 64.21 60.92 1c8p n SER 69 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1c8p s THR 70 N -3.25 0.02 0.52 6.66 2.01 -1.18 -4.99 115.64 115.44 1c8p s THR 70 Ca 0.66 -0.20 -0.16 0.00 0.31 0.00 0.00 61.69 62.29 1c8p s THR 70 Cb -0.34 -0.84 -0.08 0.00 0.01 0.00 0.00 72.50 71.26 1c8p s THR 70 CO 0.81 -0.11 0.99 -0.13 -0.69 0.00 0.00 174.62 175.49 1c8p s ARG 71 N -1.24 3.94 -0.05 4.92 0.52 -1.26 -2.22 118.95 123.56 1c8p s ARG 71 Ca -0.12 0.95 -0.01 0.00 -0.52 0.00 0.00 55.73 56.03 1c8p s ARG 71 Cb -0.02 -2.13 0.03 0.00 0.52 0.00 0.00 34.95 33.34 1c8p s ARG 71 CO 0.08 -0.28 0.03 0.71 0.02 0.00 0.00 175.30 175.85 1c8p s TYR 72 N -2.63 0.28 -0.26 -0.53 1.51 0.54 -2.58 117.35 113.67 1c8p s TYR 72 Ca 0.59 0.08 -0.06 0.00 -1.01 0.00 0.00 57.07 56.67 1c8p s TYR 72 Cb -0.10 -0.55 0.00 0.00 -0.11 0.00 0.00 41.96 41.20 1c8p s TYR 72 CO 0.32 -0.21 0.03 -1.58 -1.11 0.00 0.00 175.55 173.00 1c8p s TRP 73 N 1.83 3.08 0.32 2.71 0.52 -0.54 -1.29 118.94 125.57 1c8p s TRP 73 Ca 0.01 -0.95 0.01 0.00 0.02 0.00 0.00 56.10 55.20 1c8p s TRP 73 Cb -0.12 -2.19 0.01 0.00 -1.15 0.00 0.00 33.47 30.02 1c8p s TRP 73 CO -0.03 -0.55 0.12 0.00 0.02 0.00 0.00 176.95 176.50 1c8p n ALA 74 N 4.83 0.38 -3.84 0.98 0.00 -0.52 0.85 120.51 123.19 1c8p n ALA 74 Ca -0.16 -1.36 -0.01 0.00 0.00 0.00 0.00 53.44 51.91 1c8p n ALA 74 Cb 0.49 0.66 0.01 0.00 0.00 0.00 0.00 19.45 20.61 1c8p n ALA 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1c8p s ARG 75 N -3.23 0.89 -0.28 0.00 1.70 0.19 -2.66 118.95 115.55 1c8p s ARG 75 Ca 0.09 -0.55 -0.17 0.00 -0.47 0.00 0.00 55.73 54.63 1c8p s ARG 75 Cb -0.01 0.26 0.08 0.00 -0.57 0.00 0.00 34.95 34.72 1c8p s ARG 75 CO 0.06 -0.41 0.70 0.54 -1.08 0.00 0.00 175.30 175.10 1c8p s VAL 76 N -2.34 0.00 -0.20 4.99 0.11 -1.26 -1.97 120.40 119.74 1c8p s VAL 76 Ca 0.21 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.19 1c8p s VAL 76 Cb -0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1c8p s VAL 76 CO 0.02 0.00 0.05 -0.13 -3.33 0.00 0.00 175.10 171.71 1c8p s ARG 77 N 1.52 3.84 -0.34 1.54 0.52 -0.88 -1.63 118.95 123.52 1c8p s ARG 77 Ca -0.09 -0.41 -0.10 0.00 -0.52 0.00 0.00 55.73 54.61 1c8p s ARG 77 Cb -0.05 -3.22 0.01 0.00 0.52 0.00 0.00 34.95 32.21 1c8p s ARG 77 CO -0.18 0.12 0.16 0.54 0.02 0.00 0.00 175.30 175.96 1c8p s VAL 78 N 0.78 4.48 0.22 3.52 0.11 -1.26 -0.68 120.40 127.57 1c8p s VAL 78 Ca 0.03 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 1c8p s VAL 78 Cb -0.14 -3.39 0.04 0.00 -1.53 0.00 0.00 36.38 31.37 1c8p s VAL 78 CO 0.02 -0.07 0.30 -2.11 -3.33 0.00 0.00 175.10 169.92 1c8p n ARG 79 N 4.97 0.46 -0.03 1.54 1.85 -0.53 -3.90 116.66 121.01 1c8p n ARG 79 Ca -0.13 -0.86 -0.06 0.00 -1.00 0.00 0.00 57.85 55.79 1c8p n ARG 79 Cb 0.47 -0.19 -0.03 0.00 -1.05 0.00 0.00 32.46 31.67 1c8p n ARG 79 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1c8p n THR 80 N -1.78 0.37 -4.13 8.89 -2.24 -1.26 -3.93 114.28 110.20 1c8p n THR 80 Ca 0.05 -0.11 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 1c8p n THR 80 Cb 0.18 -1.35 -0.02 0.00 -2.10 0.00 0.00 70.33 67.04 1c8p n THR 80 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1c8p n SER 81 N -3.13 -2.50 -3.16 3.42 2.88 -1.26 -1.78 113.62 108.10 1c8p n SER 81 Ca -0.13 -1.00 -0.28 0.00 -1.33 0.00 0.00 58.87 56.14 1c8p n SER 81 Cb 0.60 -2.88 -0.03 0.00 -0.75 0.00 0.00 64.21 61.15 1c8p n SER 81 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1c8p n ARG 82 N -4.42 2.67 -3.00 -1.46 0.63 -1.26 -4.53 116.66 105.29 1c8p n ARG 82 Ca -0.04 -1.70 -0.00 0.00 -0.92 0.00 0.00 57.85 55.19 1c8p n ARG 82 Cb 0.55 -2.55 -0.00 0.00 0.45 0.00 0.00 32.46 30.91 1c8p n ARG 82 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1c8p n THR 83 N 3.86 -5.91 -1.00 5.15 -2.24 -1.26 -3.57 114.28 109.31 1c8p n THR 83 Ca 0.57 1.03 0.00 0.00 -2.27 0.00 0.00 64.05 63.38 1c8p n THR 83 Cb 0.20 -4.51 0.00 0.00 -2.10 0.00 0.00 70.33 63.92 1c8p n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c8p n GLY 84 N 1.12 0.44 3.34 3.38 0.00 -1.26 -5.02 105.19 107.20 1c8p n GLY 84 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1c8p n GLY 84 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1c8p n TYR 85 N -2.87 -1.39 -0.68 1.61 4.11 -1.23 -4.92 117.16 111.78 1c8p n TYR 85 Ca 0.00 0.03 -0.31 0.00 -0.00 0.00 0.00 57.90 57.62 1c8p n TYR 85 Cb 0.06 -1.61 0.17 0.00 -0.00 0.00 0.00 39.34 37.96 1c8p n TYR 85 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 1c8p n ASN 86 N -2.84 -1.17 -3.50 9.48 2.04 -1.26 -4.87 115.26 113.14 1c8p n ASN 86 Ca 0.01 0.22 -0.40 0.00 -0.44 0.00 0.00 54.58 53.97 1c8p n ASN 86 Cb 0.59 -1.28 -0.00 0.00 -2.53 0.00 0.00 39.78 36.56 1c8p n ASN 86 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1c8p n GLY 87 N 1.03 5.24 3.69 4.83 0.00 -1.26 -4.90 105.19 113.81 1c8p n GLY 87 Ca 0.07 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.70 1c8p n GLY 87 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1c8p s ILE 88 N -1.24 0.94 0.36 -0.61 -0.00 -1.26 -5.17 121.20 114.22 1c8p s ILE 88 Ca 0.53 -2.00 -0.04 0.00 -0.00 0.00 0.00 60.65 59.14 1c8p s ILE 88 Cb 0.18 -2.19 0.02 0.00 -0.00 0.00 0.00 42.46 40.47 1c8p s ILE 88 CO -0.09 0.00 0.53 0.79 -0.00 0.00 0.00 174.94 176.17 1c8p n TRP 89 N -1.16 -1.59 -1.12 1.37 7.02 -1.26 -4.81 117.44 115.89 1c8p n TRP 89 Ca -0.15 -2.30 0.00 0.00 -1.02 0.00 0.00 57.50 54.03 1c8p n TRP 89 Cb 0.66 0.61 0.00 0.00 -2.42 0.00 0.00 31.31 30.16 1c8p n TRP 89 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1c8p n SER 90 N -1.61 0.00 0.00 -0.99 3.41 -1.25 -4.82 113.62 108.37 1c8p n SER 90 Ca -0.01 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 1c8p n SER 90 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1c8p n SER 90 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1c8p n GLU 91 N -0.88 0.00 0.00 4.33 0.00 -1.26 -4.96 120.64 117.87 1c8p n GLU 91 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 57.16 57.40 1c8p n GLU 91 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 31.44 30.71 1c8p n GLU 91 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1c8p n TRP 92 N -2.22 0.00 -1.71 4.31 5.03 -1.26 -4.96 117.44 116.62 1c8p n TRP 92 Ca 0.00 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.11 1c8p n TRP 92 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 31.31 30.27 1c8p n TRP 92 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53 1c8p n SER 93 N 0.00 2.98 -4.43 -0.99 3.41 -0.64 -4.77 113.62 109.18 1c8p n SER 93 Ca 0.00 1.21 -0.57 0.00 -0.26 0.00 0.00 58.87 59.25 1c8p n SER 93 Cb 0.00 -1.51 -0.09 0.00 -0.26 0.00 0.00 64.21 62.34 1c8p n SER 93 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1c8p n GLU 94 N 0.58 0.54 -1.56 4.33 2.13 -1.26 -4.41 120.64 121.00 1c8p n GLU 94 Ca 0.04 0.16 -0.48 0.00 0.66 0.00 0.00 57.16 57.54 1c8p n GLU 94 Cb 0.36 -1.92 -0.03 0.00 0.27 0.00 0.00 31.44 30.12 1c8p n GLU 94 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1c8p n ALA 95 N 7.70 -1.02 -3.08 4.31 0.00 -1.26 -4.89 120.51 122.27 1c8p n ALA 95 Ca 0.44 0.45 -0.25 0.00 0.00 0.00 0.00 53.44 54.07 1c8p n ALA 95 Cb 0.08 -1.96 -0.16 0.00 0.00 0.00 0.00 19.45 17.40 1c8p n ALA 95 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1c8p s ARG 96 N -0.77 1.73 -0.02 0.00 1.81 -1.09 -4.98 118.95 115.64 1c8p s ARG 96 Ca 0.69 -0.54 0.02 0.00 -1.72 0.00 0.00 55.73 54.18 1c8p s ARG 96 Cb -0.84 -1.48 -0.03 0.00 -0.45 0.00 0.00 34.95 32.15 1c8p s ARG 96 CO 0.55 0.17 -0.07 -1.12 -0.68 0.00 0.00 175.30 174.15 1c8p s SER 97 N 0.23 4.61 0.04 0.23 0.01 -1.26 -1.44 113.70 116.13 1c8p s SER 97 Ca -0.07 -0.11 -0.13 0.00 1.31 0.00 0.00 55.95 56.95 1c8p s SER 97 Cb -0.13 -1.10 0.02 0.00 0.21 0.00 0.00 66.02 65.02 1c8p s SER 97 CO 0.03 0.31 0.30 -1.66 0.41 0.00 0.00 173.24 172.63 1c8p s TRP 98 N -0.93 -0.10 -0.25 2.43 -2.14 -0.41 -4.94 118.94 112.61 1c8p s TRP 98 Ca 0.15 -0.05 -0.13 0.00 2.66 0.00 0.00 56.10 58.74 1c8p s TRP 98 Cb -0.11 0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 30.31 1c8p s TRP 98 CO 0.05 -0.50 0.27 0.16 -2.66 0.00 0.00 176.95 174.27 1c8p s ASP 99 N -2.08 6.19 0.56 -2.66 1.47 -1.26 -0.34 116.67 118.55 1c8p s ASP 99 Ca -0.05 0.20 0.37 0.00 1.18 0.00 0.00 52.55 54.25 1c8p s ASP 99 Cb -0.01 -2.16 1.79 0.00 -0.34 0.00 0.00 42.92 42.21 1c8p s ASP 99 CO -0.04 -0.05 2.11 0.71 0.68 0.00 0.00 175.17 178.58 1c8p h THR 100 N 5.20 0.00 -1.69 2.11 1.35 -1.71 -3.49 112.91 114.68 1c8p h THR 100 Ca -0.35 -0.22 0.03 0.00 -0.55 0.00 0.00 66.41 65.32 1c8p h THR 100 Cb 1.17 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 68.73 1c8p h THR 100 CO 0.64 0.00 -0.47 -0.62 -0.25 0.00 0.00 175.52 174.81 1c8p n GLU 101 N -2.95 -1.82 0.00 4.72 -0.58 -1.26 -4.64 120.64 114.11 1c8p n GLU 101 Ca -0.01 1.43 0.00 0.00 -0.42 0.00 0.00 57.16 58.16 1c8p n GLU 101 Cb 0.17 -1.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.21 1c8p n GLU 101 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10