#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr8 s PHE 6 N 0.00 1.44 0.54 2.11 0.40 -1.26 -5.00 117.98 116.21 3mr8 s PHE 6 Ca 0.00 0.83 -0.20 0.00 -0.60 0.00 0.00 56.93 56.96 3mr8 s PHE 6 Cb 0.00 -3.29 -0.06 0.00 0.51 0.00 0.00 43.02 40.18 3mr8 s PHE 6 CO 0.00 -3.40 1.14 -2.00 0.70 0.00 0.00 175.22 171.66 3mr8 s GLU 7 N -5.05 3.37 0.00 0.44 2.56 -0.85 -4.84 118.70 114.34 3mr8 s GLU 7 Ca 0.67 1.65 0.01 0.00 0.00 0.00 0.00 54.97 57.31 3mr8 s GLU 7 Cb -0.16 -2.05 -0.01 0.00 2.00 0.00 0.00 34.13 33.91 3mr8 s GLU 7 CO 0.58 -0.85 -0.03 -2.00 -0.56 0.00 0.00 175.26 172.40 3mr8 s GLU 8 N -3.22 0.27 -0.29 4.30 -6.30 -1.26 -1.71 118.70 110.50 3mr8 s GLU 8 Ca 0.72 -0.19 -0.15 0.00 -2.50 0.00 0.00 54.97 52.85 3mr8 s GLU 8 Cb -0.25 -0.22 0.12 0.00 0.00 0.00 0.00 34.13 33.78 3mr8 s GLU 8 CO 0.28 0.06 0.84 0.21 0.02 0.00 0.00 175.26 176.67 3mr8 s LYS 9 N -0.27 0.52 0.71 4.30 2.20 -0.92 -5.04 119.74 121.24 3mr8 s LYS 9 Ca -0.01 0.96 -0.11 0.00 -0.36 0.00 0.00 55.97 56.45 3mr8 s LYS 9 Cb -0.02 0.21 0.02 0.00 -1.51 0.00 0.00 37.83 36.52 3mr8 s LYS 9 CO -0.00 -0.12 1.07 0.00 -0.36 0.00 0.00 175.35 175.94 3mr8 s MET 10 N 1.71 2.81 -0.25 4.03 0.23 -1.26 -1.97 119.30 124.59 3mr8 s MET 10 Ca -0.09 0.69 -0.15 0.00 -1.03 0.00 0.00 55.69 55.11 3mr8 s MET 10 Cb -0.05 -2.00 -0.10 0.00 -1.53 0.00 0.00 34.83 31.15 3mr8 s MET 10 CO -0.17 -1.12 -0.35 -0.89 -2.03 0.00 0.00 175.02 170.45 3mr8 n ILE 11 N -3.11 1.52 -3.56 3.16 2.08 0.95 -4.87 119.36 115.53 3mr8 n ILE 11 Ca 0.07 -0.21 -0.08 0.00 0.56 0.00 0.00 62.75 63.08 3mr8 n ILE 11 Cb 0.55 -2.04 -0.02 0.00 -0.75 0.00 0.00 39.64 37.39 3mr8 n ILE 11 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 3mr8 s LEU 12 N -7.65 -0.38 -0.22 1.39 -0.00 -1.23 -5.01 118.68 105.59 3mr8 s LEU 12 Ca -0.36 -0.14 -0.04 0.00 -0.00 0.00 0.00 54.13 53.59 3mr8 s LEU 12 Cb 0.11 2.28 0.08 0.00 -0.00 0.00 0.00 46.19 48.67 3mr8 s LEU 12 CO 0.47 -0.85 0.12 -0.63 -0.00 0.00 0.00 176.35 175.46 3mr8 s ILE 13 N -3.41 -0.11 0.62 1.48 1.09 -1.26 -1.45 121.20 118.16 3mr8 s ILE 13 Ca 0.06 -0.37 -0.04 0.00 -1.10 0.00 0.00 60.65 59.20 3mr8 s ILE 13 Cb -0.02 -0.73 0.13 0.00 -1.06 0.00 0.00 42.46 40.79 3mr8 s ILE 13 CO -0.06 -0.43 0.85 -2.11 -0.10 0.00 0.00 174.94 173.08 3mr8 n ARG 14 N 5.27 -0.23 -3.31 2.79 1.85 -0.65 -4.93 116.66 117.46 3mr8 n ARG 14 Ca -0.06 -1.98 -0.26 0.00 -1.00 0.00 0.00 57.85 54.55 3mr8 n ARG 14 Cb 0.47 -0.66 -0.09 0.00 -1.05 0.00 0.00 32.46 31.13 3mr8 n ARG 14 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3mr8 n ARG 15 N -2.64 0.38 -1.20 2.89 0.63 -1.26 -2.93 116.66 112.52 3mr8 n ARG 15 Ca 0.13 -3.16 -0.31 0.00 -0.92 0.00 0.00 57.85 53.59 3mr8 n ARG 15 Cb 0.46 -1.50 0.10 0.00 0.45 0.00 0.00 32.46 31.96 3mr8 n ARG 15 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3mr8 s THR 16 N -0.36 3.19 0.28 5.15 -1.32 -1.19 -4.88 115.64 116.51 3mr8 s THR 16 Ca 0.34 0.39 0.01 0.00 -1.21 0.00 0.00 61.69 61.22 3mr8 s THR 16 Cb 0.09 -2.83 -0.03 0.00 -1.51 0.00 0.00 72.50 68.22 3mr8 s THR 16 CO -0.17 -0.51 0.27 0.00 -2.21 0.00 0.00 174.62 172.01 3mr8 s ALA 17 N -2.88 1.28 -0.00 11.08 0.00 -1.26 -1.45 121.76 128.53 3mr8 s ALA 17 Ca 0.62 -1.76 0.02 0.00 0.00 0.00 0.00 51.96 50.83 3mr8 s ALA 17 Cb -0.18 1.37 -0.01 0.00 0.00 0.00 0.00 23.12 24.30 3mr8 s ALA 17 CO 0.56 -0.67 -0.06 1.03 0.00 0.00 0.00 175.76 176.62 3mr8 s ARG 18 N -3.69 0.51 0.11 0.00 0.52 -0.33 -4.94 118.95 111.12 3mr8 s ARG 18 Ca 0.37 -0.26 -0.22 0.00 -0.52 0.00 0.00 55.73 55.10 3mr8 s ARG 18 Cb 0.03 -0.48 -0.07 0.00 0.52 0.00 0.00 34.95 34.96 3mr8 s ARG 18 CO 0.19 0.13 0.66 -1.64 0.02 0.00 0.00 175.30 174.66 3mr8 s MET 19 N -0.25 4.35 -0.28 3.54 -1.94 -1.26 -2.95 119.30 120.51 3mr8 s MET 19 Ca 0.02 0.91 -0.24 0.00 -1.71 0.00 0.00 55.69 54.67 3mr8 s MET 19 Cb -0.03 -3.24 0.12 0.00 2.01 0.00 0.00 34.83 33.69 3mr8 s MET 19 CO -0.00 0.61 1.00 -1.14 -0.01 0.00 0.00 175.02 175.48 3mr8 s GLN 20 N -1.13 0.52 -0.14 2.03 -0.44 -0.83 -5.00 119.66 114.67 3mr8 s GLN 20 Ca 0.32 0.65 -0.40 0.00 -2.50 0.00 0.00 55.36 53.42 3mr8 s GLN 20 Cb -0.21 0.24 -0.19 0.00 -1.64 0.00 0.00 33.01 31.21 3mr8 s GLN 20 CO 0.22 -0.07 1.17 0.00 0.50 0.00 0.00 175.29 177.11 3mr8 n ALA 21 N 2.44 -2.89 0.00 1.58 0.00 -1.26 -0.69 120.51 119.69 3mr8 n ALA 21 Ca -0.13 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3mr8 n ALA 21 Cb 0.56 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3mr8 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mr8 n GLY 22 N 2.11 3.07 0.00 0.00 0.00 -1.26 -4.95 105.19 104.17 3mr8 n GLY 22 Ca 0.22 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3mr8 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mr8 n GLY 23 N 0.00 1.70 2.80 -0.02 0.00 0.13 -5.15 105.19 104.66 3mr8 n GLY 23 Ca 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 3mr8 n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3mr8 s ARG 24 N 1.84 0.26 0.70 1.61 1.70 -1.26 -1.97 118.95 121.83 3mr8 s ARG 24 Ca 0.00 0.23 -0.09 0.00 -0.47 0.00 0.00 55.73 55.40 3mr8 s ARG 24 Cb 0.00 -0.90 0.04 0.00 -0.57 0.00 0.00 34.95 33.53 3mr8 s ARG 24 CO 0.00 -0.72 1.05 1.03 -1.08 0.00 0.00 175.30 175.57 3mr8 s ARG 25 N 2.40 2.49 0.28 3.89 3.00 -1.15 -4.82 118.95 125.04 3mr8 s ARG 25 Ca 0.09 0.08 0.08 0.00 0.00 0.00 0.00 55.73 55.98 3mr8 s ARG 25 Cb -0.15 -2.10 -0.06 0.00 0.00 0.00 0.00 34.95 32.64 3mr8 s ARG 25 CO -0.17 -1.14 -0.09 -0.06 0.00 0.00 0.00 175.30 173.84 3mr8 s PHE 26 N -3.29 2.01 -0.24 -0.53 0.40 -1.26 -1.19 117.98 113.87 3mr8 s PHE 26 Ca 0.59 -0.62 -0.02 0.00 -0.60 0.00 0.00 56.93 56.27 3mr8 s PHE 26 Cb -0.11 -1.10 0.12 0.00 0.51 0.00 0.00 43.02 42.45 3mr8 s PHE 26 CO 0.48 0.37 0.32 1.03 0.70 0.00 0.00 175.22 178.13 3mr8 s ARG 27 N -3.68 0.31 0.29 0.44 0.52 -0.53 -4.80 118.95 111.49 3mr8 s ARG 27 Ca 0.29 0.31 -0.28 0.00 -0.52 0.00 0.00 55.73 55.52 3mr8 s ARG 27 Cb 0.02 -0.70 -0.09 0.00 0.52 0.00 0.00 34.95 34.70 3mr8 s ARG 27 CO 0.12 -0.74 1.03 -0.06 0.02 0.00 0.00 175.30 175.67 3mr8 s PHE 28 N 2.46 3.66 0.08 -0.53 0.40 -0.98 -3.20 117.98 119.87 3mr8 s PHE 28 Ca 0.10 1.77 0.09 0.00 -0.60 0.00 0.00 56.93 58.29 3mr8 s PHE 28 Cb -0.15 -3.12 -0.04 0.00 0.51 0.00 0.00 43.02 40.22 3mr8 s PHE 28 CO -0.18 -0.17 -0.21 0.20 0.70 0.00 0.00 175.22 175.56 3mr8 s GLY 29 N -1.17 1.59 -0.09 4.36 0.00 -1.15 -2.02 107.32 108.84 3mr8 s GLY 29 Ca 0.46 -1.31 -0.04 0.00 0.00 0.00 0.00 44.72 43.84 3mr8 s GLY 29 CO 0.34 -1.24 0.19 0.00 0.00 0.00 0.00 173.10 172.39 3mr8 s ALA 30 N -1.00 -0.31 -0.03 3.20 0.00 -0.23 -1.64 121.76 121.75 3mr8 s ALA 30 Ca 0.15 0.71 -0.16 0.00 0.00 0.00 0.00 51.96 52.66 3mr8 s ALA 30 Cb -0.10 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 22.19 3mr8 s ALA 30 CO 0.06 -0.47 0.44 -1.17 0.00 0.00 0.00 175.76 174.63 3mr8 s LEU 31 N 2.01 4.41 0.02 0.00 0.20 -0.53 -1.01 118.68 123.78 3mr8 s LEU 31 Ca -0.01 0.94 -0.06 0.00 0.69 0.00 0.00 54.13 55.69 3mr8 s LEU 31 Cb -0.12 -2.65 -0.01 0.00 -0.43 0.00 0.00 46.19 42.99 3mr8 s LEU 31 CO -0.07 0.21 0.11 -0.69 -0.29 0.00 0.00 176.35 175.62 3mr8 s VAL 32 N -0.52 0.11 0.05 1.68 1.01 0.20 -0.04 120.40 122.89 3mr8 s VAL 32 Ca 0.25 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3mr8 s VAL 32 Cb -0.16 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3mr8 s VAL 32 CO 0.13 -0.49 -0.09 -0.69 0.00 0.00 0.00 175.10 173.96 3mr8 s VAL 33 N -1.95 0.68 0.09 2.92 1.01 -0.83 -0.85 120.40 121.47 3mr8 s VAL 33 Ca -0.10 -1.16 0.07 0.00 0.00 0.00 0.00 61.98 60.79 3mr8 s VAL 33 Cb -0.05 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 3mr8 s VAL 33 CO -0.01 -0.36 -0.18 -0.69 0.00 0.00 0.00 175.10 173.85 3mr8 s VAL 34 N -1.42 1.50 -0.29 2.92 1.01 0.12 -2.17 120.40 122.05 3mr8 s VAL 34 Ca -0.07 -1.47 -0.23 0.00 0.00 0.00 0.00 61.98 60.21 3mr8 s VAL 34 Cb -0.10 -1.39 0.17 0.00 0.00 0.00 0.00 36.38 35.07 3mr8 s VAL 34 CO 0.01 -0.13 1.28 -0.83 0.00 0.00 0.00 175.10 175.43 3mr8 s GLY 35 N -1.87 0.26 0.00 4.51 0.00 -0.69 -1.15 107.32 108.38 3mr8 s GLY 35 Ca 0.04 3.36 0.30 0.00 0.00 0.00 0.00 44.72 48.42 3mr8 s GLY 35 CO 0.04 2.12 2.10 2.09 0.00 0.00 0.00 173.10 179.44 3mr8 n ASP 36 N 2.17 0.00 -2.21 1.64 5.75 -0.82 -2.00 116.55 121.09 3mr8 n ASP 36 Ca -0.13 -0.70 -0.14 0.00 -0.01 0.00 0.00 54.79 53.81 3mr8 n ASP 36 Cb 0.57 -0.08 0.04 0.00 -1.03 0.00 0.00 41.12 40.61 3mr8 n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3mr8 n ARG 37 N -1.08 -4.14 -2.82 0.11 1.74 0.30 -4.89 116.66 105.88 3mr8 n ARG 37 Ca 0.20 0.53 0.02 0.00 -0.77 0.00 0.00 57.85 57.82 3mr8 n ARG 37 Cb 0.14 -4.61 0.00 0.00 -1.02 0.00 0.00 32.46 26.97 3mr8 n ARG 37 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3mr8 s GLN 38 N -5.58 0.24 0.00 5.56 0.74 -1.21 -3.86 119.66 115.55 3mr8 s GLN 38 Ca 0.29 -0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.63 3mr8 s GLN 38 Cb -0.13 0.03 0.00 0.00 1.10 0.00 0.00 33.01 34.01 3mr8 s GLN 38 CO 0.36 -0.36 0.00 0.41 -0.55 0.00 0.00 175.29 175.15 3mr8 n GLY 39 N 3.79 0.82 3.65 2.59 0.00 -1.10 -4.87 105.19 110.07 3mr8 n GLY 39 Ca 0.06 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3mr8 n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mr8 s ARG 40 N 0.00 4.05 -0.11 1.61 1.81 -1.26 -1.24 118.95 123.80 3mr8 s ARG 40 Ca 0.00 1.67 -0.23 0.00 -1.72 0.00 0.00 55.73 55.44 3mr8 s ARG 40 Cb 0.00 -3.90 0.05 0.00 -0.45 0.00 0.00 34.95 30.66 3mr8 s ARG 40 CO 0.00 -0.97 0.56 0.14 -0.68 0.00 0.00 175.30 174.35 3mr8 s VAL 41 N 4.21 0.01 -0.06 3.52 -7.23 -1.18 -1.94 120.40 117.73 3mr8 s VAL 41 Ca 0.62 -0.10 -0.09 0.00 -1.81 0.00 0.00 61.98 60.60 3mr8 s VAL 41 Cb -0.23 -0.84 0.02 0.00 0.56 0.00 0.00 36.38 35.89 3mr8 s VAL 41 CO 0.23 -0.06 0.24 -0.83 -0.31 0.00 0.00 175.10 174.37 3mr8 s GLY 42 N -0.60 -0.13 0.14 2.32 0.00 -0.30 0.10 107.32 108.84 3mr8 s GLY 42 Ca -0.07 0.46 0.07 0.00 0.00 0.00 0.00 44.72 45.18 3mr8 s GLY 42 CO 0.05 0.34 -0.05 -2.27 0.00 0.00 0.00 173.10 171.16 3mr8 s LEU 43 N -0.44 3.18 -0.04 0.66 0.20 -1.26 0.12 118.68 121.10 3mr8 s LEU 43 Ca -0.05 -0.39 -0.21 0.00 0.69 0.00 0.00 54.13 54.16 3mr8 s LEU 43 Cb -0.04 -1.90 0.04 0.00 -0.43 0.00 0.00 46.19 43.87 3mr8 s LEU 43 CO 0.01 0.13 0.47 -0.83 -0.29 0.00 0.00 176.35 175.84 3mr8 s GLY 44 N -2.58 -0.33 -0.12 7.98 0.00 -0.03 -4.28 107.32 107.96 3mr8 s GLY 44 Ca 0.25 0.80 -0.01 0.00 0.00 0.00 0.00 44.72 45.75 3mr8 s GLY 44 CO 0.16 0.54 -0.01 -0.12 0.00 0.00 0.00 173.10 173.67 3mr8 s PHE 45 N -1.12 1.05 -0.09 1.90 5.36 -1.26 -0.63 117.98 123.19 3mr8 s PHE 45 Ca -0.11 -0.57 0.01 0.00 -0.96 0.00 0.00 56.93 55.30 3mr8 s PHE 45 Cb -0.03 -1.01 -0.02 0.00 -0.34 0.00 0.00 43.02 41.62 3mr8 s PHE 45 CO 0.06 -0.47 -0.13 0.20 -1.46 0.00 0.00 175.22 173.42 3mr8 s GLY 46 N 1.85 1.55 -0.12 13.12 0.00 -0.18 -4.85 107.32 118.69 3mr8 s GLY 46 Ca 0.03 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.84 3mr8 s GLY 46 CO -0.07 -0.45 -0.18 0.54 0.00 0.00 0.00 173.10 172.94 3mr8 s LYS 47 N -0.16 3.23 -0.13 2.90 3.01 -1.26 -1.06 119.74 126.26 3mr8 s LYS 47 Ca -0.00 -0.78 -0.29 0.00 -1.01 0.00 0.00 55.97 53.89 3mr8 s LYS 47 Cb -0.13 -2.48 0.09 0.00 -1.01 0.00 0.00 37.83 34.30 3mr8 s LYS 47 CO 0.03 0.20 0.81 0.00 0.51 0.00 0.00 175.35 176.90 3mr8 s ALA 48 N 0.34 -1.84 -1.68 5.17 0.00 -0.85 -4.91 121.76 117.99 3mr8 s ALA 48 Ca -0.15 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3mr8 s ALA 48 Cb -0.17 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.45 3mr8 s ALA 48 CO 0.07 -0.34 0.08 -2.30 0.00 0.00 0.00 175.76 173.28 3mr8 n PRO 49 N 1.21 0.10 -3.55 0.00 -0.02 -1.26 -2.31 135.00 129.17 3mr8 n PRO 49 Ca -0.15 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.20 3mr8 n PRO 49 Cb 0.57 -1.02 -0.05 0.00 -0.02 0.00 0.00 33.50 32.99 3mr8 n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3mr8 s GLU 50 N -1.68 1.09 0.01 -0.52 2.56 -1.26 -4.76 118.70 114.14 3mr8 s GLU 50 Ca 0.00 -0.32 -0.17 0.00 0.00 0.00 0.00 54.97 54.48 3mr8 s GLU 50 Cb 0.00 0.50 -0.09 0.00 2.00 0.00 0.00 34.13 36.53 3mr8 s GLU 50 CO 0.00 -0.41 1.02 0.28 -0.56 0.00 0.00 175.26 175.59 3mr8 h VAL 51 N 2.58 0.00 -0.21 3.70 2.07 -1.93 -1.24 116.25 121.23 3mr8 h VAL 51 Ca -0.32 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 3mr8 h VAL 51 Cb 1.23 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3mr8 h VAL 51 CO 0.41 0.00 -0.03 -0.65 0.02 0.00 0.00 177.57 177.32 3mr8 h PRO 52 N -0.74 0.31 -0.36 1.57 0.11 -1.99 -2.87 132.00 128.03 3mr8 h PRO 52 Ca -0.06 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.89 3mr8 h PRO 52 Cb 0.47 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3mr8 h PRO 52 CO 0.10 0.36 -0.18 -0.07 -0.21 0.00 0.00 178.00 178.01 3mr8 h LEU 53 N 0.30 0.79 -1.42 2.35 3.38 -1.95 -2.50 115.31 116.26 3mr8 h LEU 53 Ca 0.07 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.65 3mr8 h LEU 53 Cb 0.25 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3mr8 h LEU 53 CO 0.01 1.02 0.40 0.00 0.09 0.00 0.00 178.44 179.96 3mr8 h ALA 54 N 0.79 1.61 -0.43 1.53 0.00 -1.00 -1.47 119.26 120.30 3mr8 h ALA 54 Ca 0.08 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3mr8 h ALA 54 Cb 0.72 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3mr8 h ALA 54 CO 0.05 0.35 -0.07 0.28 0.00 0.00 0.00 179.25 179.86 3mr8 h VAL 55 N 0.78 1.27 -0.73 0.00 2.07 -1.42 -0.65 116.25 117.58 3mr8 h VAL 55 Ca 0.23 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.61 3mr8 h VAL 55 Cb -0.03 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3mr8 h VAL 55 CO -0.06 0.39 0.48 -0.61 0.02 0.00 0.00 177.57 177.79 3mr8 h GLN 56 N 0.63 0.94 -0.25 1.57 -0.00 -0.85 0.18 115.11 117.33 3mr8 h GLN 56 Ca 0.11 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.67 3mr8 h GLN 56 Cb 0.59 -0.21 -0.01 0.00 0.00 0.00 0.00 27.48 27.85 3mr8 h GLN 56 CO 0.04 0.62 -0.00 0.87 0.00 0.00 0.00 178.83 180.36 3mr8 h LYS 57 N 0.97 0.44 -0.26 1.69 1.57 -1.22 -2.61 116.57 117.15 3mr8 h LYS 57 Ca 0.27 -0.14 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 3mr8 h LYS 57 Cb -0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3mr8 h LYS 57 CO -0.07 0.61 0.19 0.00 -0.57 0.00 0.00 179.45 179.61 3mr8 h ALA 58 N 0.81 2.23 0.03 3.86 0.00 -0.48 -1.54 119.26 124.18 3mr8 h ALA 58 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mr8 h ALA 58 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3mr8 h ALA 58 CO 0.01 -0.30 -0.02 0.78 0.00 0.00 0.00 179.25 179.72 3mr8 h GLY 59 N 0.01 -0.05 1.18 0.00 0.00 -0.27 0.50 103.07 104.44 3mr8 h GLY 59 Ca 0.12 0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.36 3mr8 h GLY 59 CO -0.00 -0.02 -0.12 -1.82 0.00 0.00 0.00 176.54 174.58 3mr8 h TYR 60 N -0.06 1.07 -0.56 5.60 3.20 -1.23 -0.95 116.97 124.04 3mr8 h TYR 60 Ca -0.00 -0.22 -0.06 0.00 3.14 0.00 0.00 58.73 61.59 3mr8 h TYR 60 Cb 0.05 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 3mr8 h TYR 60 CO -0.07 1.01 0.11 1.88 -1.64 0.00 0.00 178.16 179.45 3mr8 h TYR 61 N 0.85 0.92 -0.18 -3.82 0.05 -1.19 0.12 116.97 113.71 3mr8 h TYR 61 Ca 0.13 -0.10 -0.18 0.00 0.05 0.00 0.00 58.73 58.64 3mr8 h TYR 61 Cb 0.67 -0.26 0.01 0.00 1.01 0.00 0.00 36.73 38.15 3mr8 h TYR 61 CO 0.04 0.78 -0.58 0.00 -1.05 0.00 0.00 178.16 177.35 3mr8 h ALA 62 N 1.28 0.31 0.00 3.88 0.00 -0.65 -1.35 119.26 122.73 3mr8 h ALA 62 Ca 0.18 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3mr8 h ALA 62 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3mr8 h ALA 62 CO 0.00 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3mr8 h ARG 63 N 0.40 0.00 0.00 0.00 3.08 -1.06 -3.24 114.38 113.56 3mr8 h ARG 63 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3mr8 h ARG 63 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3mr8 h ARG 63 CO 0.12 0.00 0.00 -2.13 -1.07 0.00 0.00 179.97 176.89 3mr8 n ARG 64 N -3.09 0.00 -1.90 0.04 3.00 0.39 -4.82 116.66 110.28 3mr8 n ARG 64 Ca 0.01 0.44 -0.37 0.00 -0.00 0.00 0.00 57.85 57.94 3mr8 n ARG 64 Cb 0.36 -1.21 0.04 0.00 0.00 0.00 0.00 32.46 31.66 3mr8 n ARG 64 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 3mr8 s ASN 65 N -2.37 5.16 -0.20 6.15 2.47 -0.53 -5.02 114.94 120.59 3mr8 s ASN 65 Ca 0.00 2.56 -0.32 0.00 0.42 0.00 0.00 52.86 55.52 3mr8 s ASN 65 Cb 0.00 -2.62 0.15 0.00 -1.45 0.00 0.00 41.25 37.34 3mr8 s ASN 65 CO 0.00 -1.63 1.19 -0.32 -3.72 0.00 0.00 177.10 172.62 3mr8 s MET 66 N -3.15 0.33 -0.11 0.43 1.75 -1.26 -4.10 119.30 113.19 3mr8 s MET 66 Ca 0.76 -0.01 -0.10 0.00 -1.25 0.00 0.00 55.69 55.09 3mr8 s MET 66 Cb -0.35 0.15 0.03 0.00 2.84 0.00 0.00 34.83 37.50 3mr8 s MET 66 CO 0.39 -0.12 0.28 0.54 -0.65 0.00 0.00 175.02 175.47 3mr8 s VAL 67 N -1.63 -0.00 0.09 10.11 0.11 0.28 -4.92 120.40 124.44 3mr8 s VAL 67 Ca 0.06 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.81 3mr8 s VAL 67 Cb -0.01 -0.40 -0.06 0.00 -1.53 0.00 0.00 36.38 34.38 3mr8 s VAL 67 CO -0.04 0.00 1.17 -1.83 -3.33 0.00 0.00 175.10 171.06 3mr8 s GLU 68 N 0.15 4.48 -0.34 1.54 -1.05 -1.26 -3.10 118.70 119.11 3mr8 s GLU 68 Ca -0.00 1.75 0.03 0.00 -0.15 0.00 0.00 54.97 56.59 3mr8 s GLU 68 Cb -0.02 -3.33 0.10 0.00 -0.44 0.00 0.00 34.13 30.43 3mr8 s GLU 68 CO 0.00 -0.17 0.05 0.08 0.95 0.00 0.00 175.26 176.18 3mr8 s VAL 69 N 0.72 2.44 -0.42 1.83 1.01 -0.37 -4.81 120.40 120.78 3mr8 s VAL 69 Ca 0.56 -2.19 -0.27 0.00 0.00 0.00 0.00 61.98 60.08 3mr8 s VAL 69 Cb -0.29 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 3mr8 s VAL 69 CO 0.31 -0.53 2.22 -2.16 0.00 0.00 0.00 175.10 174.94 3mr8 s PRO 70 N 0.97 2.56 0.03 2.72 0.04 -1.26 -3.93 135.00 136.13 3mr8 s PRO 70 Ca 0.08 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 3mr8 s PRO 70 Cb -0.20 -4.46 0.01 0.00 0.04 0.00 0.00 34.50 29.89 3mr8 s PRO 70 CO -0.07 -2.76 0.04 1.28 0.04 0.00 0.00 177.00 175.53 3mr8 n LEU 71 N 13.83 0.00 -2.70 -3.56 4.77 -1.26 -4.20 117.00 123.88 3mr8 n LEU 71 Ca 0.31 -0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 56.19 3mr8 n LEU 71 Cb 0.51 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 3mr8 n LEU 71 CO 0.69 -0.58 0.41 1.67 -1.33 0.00 0.00 177.39 178.26 3mr8 n GLN 72 N -1.15 0.34 -1.76 3.23 -0.06 -0.33 -4.71 117.38 112.94 3mr8 n GLN 72 Ca 0.01 -1.14 -0.20 0.00 -2.00 0.00 0.00 57.00 53.67 3mr8 n GLN 72 Cb 0.02 -0.63 -0.07 0.00 -4.06 0.00 0.00 30.24 25.51 3mr8 n GLN 72 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 3mr8 n ASN 73 N 1.94 -5.44 0.00 1.69 4.05 -1.26 -1.94 115.26 114.30 3mr8 n ASN 73 Ca 0.07 0.37 0.00 0.00 0.45 0.00 0.00 54.58 55.47 3mr8 n ASN 73 Cb 0.66 -4.62 0.00 0.00 1.23 0.00 0.00 39.78 37.05 3mr8 n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3mr8 n GLY 74 N -0.66 1.96 3.84 8.20 0.00 -1.26 -4.95 105.19 112.32 3mr8 n GLY 74 Ca -0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 3mr8 n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mr8 s THR 75 N -2.24 3.45 0.64 2.61 -1.32 -0.82 -0.50 115.64 117.46 3mr8 s THR 75 Ca 0.00 -1.39 -0.13 0.00 -1.21 0.00 0.00 61.69 58.96 3mr8 s THR 75 Cb 0.00 -3.16 -0.02 0.00 -1.51 0.00 0.00 72.50 67.81 3mr8 s THR 75 CO 0.00 -0.17 1.05 -0.51 -2.21 0.00 0.00 174.62 172.78 3mr8 s ILE 76 N -2.32 4.06 0.15 5.08 2.07 -1.25 -1.18 121.20 127.80 3mr8 s ILE 76 Ca 0.41 0.80 -0.01 0.00 -1.41 0.00 0.00 60.65 60.43 3mr8 s ILE 76 Cb -0.05 -3.46 -0.17 0.00 0.13 0.00 0.00 42.46 38.91 3mr8 s ILE 76 CO 0.26 -0.75 1.34 1.55 -1.91 0.00 0.00 174.94 175.43 3mr8 h PRO 77 N -0.16 0.30 -2.64 3.50 0.13 -1.85 -3.41 132.00 127.88 3mr8 h PRO 77 Ca -0.45 -0.33 0.11 0.00 -0.87 0.00 0.00 66.00 64.46 3mr8 h PRO 77 Cb 1.21 0.09 -0.08 0.00 0.13 0.00 0.00 31.00 32.35 3mr8 h PRO 77 CO 0.58 1.03 0.36 -3.38 -0.23 0.00 0.00 178.00 176.36 3mr8 s HIS 78 N -3.23 -0.23 0.50 1.56 -3.43 -1.26 -4.86 115.29 104.34 3mr8 s HIS 78 Ca -0.04 -0.10 -0.09 0.00 -0.80 0.00 0.00 55.06 54.02 3mr8 s HIS 78 Cb 0.09 0.64 -0.05 0.00 -1.43 0.00 0.00 32.58 31.84 3mr8 s HIS 78 CO 0.85 -0.94 0.87 -1.83 -2.00 0.00 0.00 174.74 171.69 3mr8 s GLU 79 N -3.54 3.67 -0.20 -0.38 4.04 -1.26 -4.52 118.70 116.50 3mr8 s GLU 79 Ca 0.10 0.51 -0.14 0.00 0.04 0.00 0.00 54.97 55.47 3mr8 s GLU 79 Cb -0.03 -2.27 0.06 0.00 0.02 0.00 0.00 34.13 31.91 3mr8 s GLU 79 CO 0.01 -0.27 0.52 0.96 -1.84 0.00 0.00 175.26 174.63 3mr8 s ILE 80 N -2.75 -0.01 -0.56 1.83 -4.36 -1.19 -4.95 121.20 109.20 3mr8 s ILE 80 Ca 0.52 0.04 -0.15 0.00 -0.26 0.00 0.00 60.65 60.79 3mr8 s ILE 80 Cb -0.10 -0.74 0.14 0.00 1.25 0.00 0.00 42.46 43.00 3mr8 s ILE 80 CO 0.42 0.01 0.51 -1.61 0.24 0.00 0.00 174.94 174.52 3mr8 s GLU 81 N 0.99 3.01 -0.35 0.37 2.02 -1.26 -2.57 118.70 120.91 3mr8 s GLU 81 Ca -0.06 -1.80 -0.09 0.00 0.02 0.00 0.00 54.97 53.05 3mr8 s GLU 81 Cb -0.06 -4.28 0.03 0.00 0.10 0.00 0.00 34.13 29.92 3mr8 s GLU 81 CO -0.09 -1.31 0.15 0.08 0.02 0.00 0.00 175.26 174.11 3mr8 s VAL 82 N 1.42 4.20 -0.33 2.63 1.01 -0.52 -4.98 120.40 123.84 3mr8 s VAL 82 Ca 0.05 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 3mr8 s VAL 82 Cb -0.28 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 3mr8 s VAL 82 CO 0.01 -0.15 0.20 -1.61 0.00 0.00 0.00 175.10 173.55 3mr8 s GLU 83 N 1.49 3.35 -1.16 2.72 2.02 -1.26 -1.85 118.70 124.02 3mr8 s GLU 83 Ca 0.01 -0.73 -0.04 0.00 0.02 0.00 0.00 54.97 54.23 3mr8 s GLU 83 Cb -0.19 -3.71 0.24 0.00 0.10 0.00 0.00 34.13 30.58 3mr8 s GLU 83 CO 0.05 -0.47 1.90 0.34 0.02 0.00 0.00 175.26 177.10 3mr8 n PHE 84 N 5.05 2.61 0.00 1.61 7.35 -0.58 -4.94 117.46 128.56 3mr8 n PHE 84 Ca -0.13 -2.66 0.00 0.00 -0.76 0.00 0.00 57.45 53.90 3mr8 n PHE 84 Cb 0.49 -1.50 0.00 0.00 0.35 0.00 0.00 39.48 38.82 3mr8 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3mr8 n GLY 85 N 1.22 0.56 0.08 7.13 0.00 -1.26 -2.96 105.19 109.96 3mr8 n GLY 85 Ca 0.44 0.65 -0.12 0.00 0.00 0.00 0.00 46.02 46.99 3mr8 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mr8 h ALA 86 N -0.85 -0.05 -2.35 4.61 0.00 -1.99 -3.47 119.26 115.16 3mr8 h ALA 86 Ca 0.00 -0.34 -0.47 0.00 0.00 0.00 0.00 54.91 54.10 3mr8 h ALA 86 Cb 0.00 0.02 0.07 0.00 0.00 0.00 0.00 17.79 17.88 3mr8 h ALA 86 CO 0.00 -0.12 0.26 -1.12 0.00 0.00 0.00 179.25 178.27 3mr8 s SER 87 N -5.88 5.23 -0.22 0.00 0.01 -1.15 -2.46 113.70 109.22 3mr8 s SER 87 Ca -0.15 0.72 -0.17 0.00 1.31 0.00 0.00 55.95 57.66 3mr8 s SER 87 Cb -0.01 -1.52 0.06 0.00 0.21 0.00 0.00 66.02 64.76 3mr8 s SER 87 CO 0.57 -1.36 0.56 -0.75 0.41 0.00 0.00 173.24 172.68 3mr8 s LYS 88 N -5.19 0.62 -0.04 12.44 2.20 -1.02 -1.53 119.74 127.21 3mr8 s LYS 88 Ca 0.57 0.89 -0.04 0.00 -0.36 0.00 0.00 55.97 57.03 3mr8 s LYS 88 Cb -0.11 0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.43 3mr8 s LYS 88 CO 0.47 -0.11 0.12 -1.50 -0.36 0.00 0.00 175.35 173.97 3mr8 s ILE 89 N 0.85 0.01 -0.02 5.43 2.07 -0.77 -0.36 121.20 128.41 3mr8 s ILE 89 Ca -0.04 -0.07 0.04 0.00 -1.41 0.00 0.00 60.65 59.16 3mr8 s ILE 89 Cb -0.05 -0.20 -0.01 0.00 0.13 0.00 0.00 42.46 42.33 3mr8 s ILE 89 CO -0.07 -0.04 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.08 3mr8 s VAL 90 N -0.08 1.20 0.42 4.00 1.01 -1.17 -1.43 120.40 124.35 3mr8 s VAL 90 Ca -0.01 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.42 3mr8 s VAL 90 Cb -0.02 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 3mr8 s VAL 90 CO 0.00 0.35 0.16 -0.76 0.00 0.00 0.00 175.10 174.85 3mr8 s LEU 91 N -0.14 3.05 -0.29 3.92 1.02 -1.06 -2.69 118.68 122.49 3mr8 s LEU 91 Ca 0.01 -1.14 -0.16 0.00 0.02 0.00 0.00 54.13 52.87 3mr8 s LEU 91 Cb -0.08 -1.35 0.15 0.00 0.02 0.00 0.00 46.19 44.93 3mr8 s LEU 91 CO 0.00 -0.56 0.98 -0.75 0.02 0.00 0.00 176.35 176.04 3mr8 s LYS 92 N -3.89 0.37 0.34 1.70 2.20 0.96 -3.19 119.74 118.23 3mr8 s LYS 92 Ca 0.39 0.67 -0.28 0.00 -0.36 0.00 0.00 55.97 56.39 3mr8 s LYS 92 Cb 0.04 0.13 -0.12 0.00 -1.51 0.00 0.00 37.83 36.38 3mr8 s LYS 92 CO 0.21 -0.08 1.37 -0.35 -0.36 0.00 0.00 175.35 176.14 3mr8 n PRO 93 N 3.90 2.32 -4.57 4.03 -0.04 -1.26 -0.34 135.00 139.04 3mr8 n PRO 93 Ca -0.17 0.82 -0.23 0.00 -0.04 0.00 0.00 63.50 63.87 3mr8 n PRO 93 Cb 0.57 -2.46 -0.14 0.00 -0.04 0.00 0.00 33.50 31.43 3mr8 n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mr8 s ALA 94 N -0.99 1.51 0.56 0.55 0.00 -1.24 -4.75 121.76 117.40 3mr8 s ALA 94 Ca 0.56 -0.93 -0.20 0.00 0.00 0.00 0.00 51.96 51.38 3mr8 s ALA 94 Cb -0.54 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 3mr8 s ALA 94 CO 0.61 0.33 1.26 0.00 0.00 0.00 0.00 175.76 177.96 3mr8 s ALA 95 N -0.76 2.68 0.42 0.00 0.00 -1.26 -4.70 121.76 118.15 3mr8 s ALA 95 Ca 0.05 1.12 -0.24 0.00 0.00 0.00 0.00 51.96 52.89 3mr8 s ALA 95 Cb -0.08 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 3mr8 s ALA 95 CO 0.01 -1.19 0.96 -2.30 0.00 0.00 0.00 175.76 173.24 3mr8 n PRO 96 N -1.27 1.25 -0.52 0.00 -0.02 -1.26 -2.59 135.00 130.59 3mr8 n PRO 96 Ca 0.12 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3mr8 n PRO 96 Cb 0.48 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3mr8 n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mr8 n GLY 97 N 1.25 0.75 0.00 -1.23 0.00 -1.26 -4.99 105.19 99.71 3mr8 n GLY 97 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3mr8 n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3mr8 n THR 98 N -2.34 0.00 0.00 2.61 -1.04 -1.07 -5.11 114.28 107.33 3mr8 n THR 98 Ca 0.00 0.52 0.00 0.00 -2.04 0.00 0.00 64.05 62.53 3mr8 n THR 98 Cb 0.00 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 3mr8 n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mr8 n GLY 99 N 1.92 3.46 3.56 3.41 0.00 -0.87 -4.96 105.19 111.72 3mr8 n GLY 99 Ca 0.00 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 3mr8 n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mr8 s VAL 100 N -1.79 3.78 -0.39 1.61 1.01 -1.20 -3.49 120.40 119.92 3mr8 s VAL 100 Ca 0.00 -0.80 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 3mr8 s VAL 100 Cb 0.00 -4.73 0.01 0.00 0.00 0.00 0.00 36.38 31.66 3mr8 s VAL 100 CO 0.00 -1.58 0.59 0.27 0.00 0.00 0.00 175.10 174.38 3mr8 s ILE 101 N 6.86 4.91 0.21 2.22 -4.36 -1.18 -4.97 121.20 124.88 3mr8 s ILE 101 Ca 0.56 0.25 -0.21 0.00 -0.26 0.00 0.00 60.65 60.98 3mr8 s ILE 101 Cb -0.02 -4.10 0.07 0.00 1.25 0.00 0.00 42.46 39.67 3mr8 s ILE 101 CO -0.03 -0.42 1.02 0.00 0.24 0.00 0.00 174.94 175.75 3mr8 s ALA 102 N 2.63 -1.50 0.95 2.27 0.00 -1.26 -3.32 121.76 121.53 3mr8 s ALA 102 Ca 0.21 -0.43 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 3mr8 s ALA 102 Cb -0.15 0.77 0.16 0.00 0.00 0.00 0.00 23.12 23.90 3mr8 s ALA 102 CO 0.16 -1.06 1.09 0.20 0.00 0.00 0.00 175.76 176.15 3mr8 s GLY 103 N -3.42 1.60 0.36 0.00 0.00 -1.26 -4.74 107.32 99.86 3mr8 s GLY 103 Ca 0.22 -0.09 0.07 0.00 0.00 0.00 0.00 44.72 44.93 3mr8 s GLY 103 CO 0.06 0.45 1.91 0.00 0.00 0.00 0.00 173.10 175.52 3mr8 h ALA 104 N -1.76 1.77 0.35 3.20 0.00 -2.01 -0.48 119.26 120.33 3mr8 h ALA 104 Ca -0.51 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 3mr8 h ALA 104 Cb 1.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3mr8 h ALA 104 CO 0.54 0.05 -0.17 0.28 0.00 0.00 0.00 179.25 179.95 3mr8 h VAL 105 N 0.73 0.00 0.00 0.00 2.07 -1.96 -3.18 116.25 113.91 3mr8 h VAL 105 Ca 0.38 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3mr8 h VAL 105 Cb 0.49 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3mr8 h VAL 105 CO -0.15 0.00 0.00 1.55 0.02 0.00 0.00 177.57 178.99 3mr8 h PRO 106 N -1.09 0.00 0.39 1.57 0.13 -1.89 -2.49 132.00 128.62 3mr8 h PRO 106 Ca -0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 3mr8 h PRO 106 Cb 0.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.49 3mr8 h PRO 106 CO 0.08 0.00 -0.19 -0.09 -0.23 0.00 0.00 178.00 177.57 3mr8 h ARG 107 N 0.00 -0.51 -0.75 0.86 2.43 -1.14 -2.11 114.38 113.16 3mr8 h ARG 107 Ca 0.00 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3mr8 h ARG 107 Cb 0.15 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 3mr8 h ARG 107 CO 0.00 -0.22 0.49 0.00 -1.51 0.00 0.00 179.97 178.73 3mr8 h ALA 108 N -0.28 1.46 0.26 2.80 0.00 -1.43 0.77 119.26 122.84 3mr8 h ALA 108 Ca -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3mr8 h ALA 108 Cb 0.52 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3mr8 h ALA 108 CO 0.09 0.50 -0.17 0.82 0.00 0.00 0.00 179.25 180.49 3mr8 h ILE 109 N 1.02 0.00 0.00 0.00 1.08 -1.44 -2.18 117.51 115.99 3mr8 h ILE 109 Ca 0.27 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.70 3mr8 h ILE 109 Cb -0.11 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.63 3mr8 h ILE 109 CO -0.06 0.00 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.14 3mr8 h LEU 110 N -0.41 0.00 0.11 1.44 3.38 -1.29 -2.06 115.31 116.48 3mr8 h LEU 110 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3mr8 h LEU 110 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3mr8 h LEU 110 CO 0.02 0.19 -0.05 -0.08 0.09 0.00 0.00 178.44 178.61 3mr8 h GLU 111 N 0.00 -0.14 0.00 1.13 4.81 -0.78 -0.86 114.58 118.74 3mr8 h GLU 111 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3mr8 h GLU 111 Cb 0.39 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3mr8 h GLU 111 CO 0.02 -0.04 0.00 1.28 -0.73 0.00 0.00 179.01 179.55 3mr8 n LEU 112 N -5.12 0.00 -0.10 1.64 4.77 -0.83 -1.55 117.00 115.80 3mr8 n LEU 112 Ca -0.08 0.44 0.15 0.00 -0.03 0.00 0.00 56.01 56.48 3mr8 n LEU 112 Cb 0.11 -0.44 0.68 0.00 -2.33 0.00 0.00 43.42 41.45 3mr8 n LEU 112 CO 0.34 -0.19 0.93 0.00 -1.33 0.00 0.00 177.39 177.14 3mr8 n ALA 113 N -1.44 2.69 -0.80 -1.18 0.00 -0.46 -0.54 120.51 118.79 3mr8 n ALA 113 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3mr8 n ALA 113 Cb 0.18 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3mr8 n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mr8 n GLY 114 N 1.23 0.69 3.79 0.00 0.00 -0.60 -2.70 105.19 107.60 3mr8 n GLY 114 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3mr8 n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mr8 s VAL 115 N -2.49 3.54 0.00 1.61 1.01 -0.46 -4.66 120.40 118.95 3mr8 s VAL 115 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.94 3mr8 s VAL 115 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.99 3mr8 s VAL 115 CO 0.00 -0.21 0.00 0.35 0.00 0.00 0.00 175.10 175.24 3mr8 n THR 116 N -1.10 0.00 -3.56 3.92 -2.24 0.34 -4.56 114.28 107.07 3mr8 n THR 116 Ca 0.10 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.74 3mr8 n THR 116 Cb 0.52 1.18 -0.12 0.00 -2.10 0.00 0.00 70.33 69.81 3mr8 n THR 116 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3mr8 s ASP 117 N 0.00 0.61 -0.29 3.42 1.01 -1.23 -2.04 116.67 118.15 3mr8 s ASP 117 Ca 0.00 0.31 -0.17 0.00 0.71 0.00 0.00 52.55 53.40 3mr8 s ASP 117 Cb 0.00 0.70 0.15 0.00 1.01 0.00 0.00 42.92 44.78 3mr8 s ASP 117 CO 0.00 -0.27 1.03 -0.51 0.21 0.00 0.00 175.17 175.62 3mr8 s ILE 118 N 2.42 0.00 -0.20 0.77 1.10 -1.23 -3.67 121.20 120.39 3mr8 s ILE 118 Ca 0.05 0.00 -0.12 0.00 -0.51 0.00 0.00 60.65 60.06 3mr8 s ILE 118 Cb -0.14 -1.00 -0.05 0.00 0.15 0.00 0.00 42.46 41.43 3mr8 s ILE 118 CO -0.11 0.00 0.24 -0.76 -2.11 0.00 0.00 174.94 172.20 3mr8 s LEU 119 N 1.14 4.17 0.20 8.50 1.43 0.53 -3.10 118.68 131.56 3mr8 s LEU 119 Ca -0.07 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.23 3mr8 s LEU 119 Cb -0.04 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 43.93 3mr8 s LEU 119 CO -0.13 0.07 0.40 0.42 0.23 0.00 0.00 176.35 177.33 3mr8 s THR 120 N 0.83 0.03 -0.29 5.49 -4.23 -1.21 -0.03 115.64 116.23 3mr8 s THR 120 Ca 0.12 -1.31 -0.24 0.00 -1.18 0.00 0.00 61.69 59.08 3mr8 s THR 120 Cb -0.13 -1.97 0.14 0.00 1.34 0.00 0.00 72.50 71.88 3mr8 s THR 120 CO 0.04 -0.13 1.09 -0.75 -0.54 0.00 0.00 174.62 174.32 3mr8 s LYS 121 N -3.98 0.42 0.21 3.99 2.20 -1.10 -4.71 119.74 116.78 3mr8 s LYS 121 Ca 0.19 0.52 -0.22 0.00 -0.36 0.00 0.00 55.97 56.10 3mr8 s LYS 121 Cb 0.01 0.19 -0.08 0.00 -1.51 0.00 0.00 37.83 36.44 3mr8 s LYS 121 CO 0.04 -0.05 0.77 -1.21 -0.36 0.00 0.00 175.35 174.53 3mr8 s GLU 122 N 0.32 4.39 0.17 4.03 2.02 -1.26 -3.05 118.70 125.33 3mr8 s GLU 122 Ca 0.02 1.02 0.02 0.00 0.02 0.00 0.00 54.97 56.05 3mr8 s GLU 122 Cb -0.05 -2.99 -0.05 0.00 0.10 0.00 0.00 34.13 31.14 3mr8 s GLU 122 CO -0.09 0.44 0.01 -0.51 0.02 0.00 0.00 175.26 175.14 3mr8 s LEU 123 N -1.71 2.06 0.00 1.80 1.43 0.52 -5.01 118.68 117.77 3mr8 s LEU 123 Ca 0.41 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 3mr8 s LEU 123 Cb -0.19 -0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.01 3mr8 s LEU 123 CO 0.23 -0.59 0.00 0.61 0.23 0.00 0.00 176.35 176.83 3mr8 n GLY 124 N -0.24 3.42 3.68 -3.19 0.00 -1.26 -2.44 105.19 105.16 3mr8 n GLY 124 Ca -0.06 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3mr8 n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mr8 s SER 125 N -4.00 3.08 0.00 1.61 0.15 -1.03 -4.97 113.70 108.55 3mr8 s SER 125 Ca 0.00 1.59 0.00 0.00 0.70 0.00 0.00 55.95 58.24 3mr8 s SER 125 Cb 0.00 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 3mr8 s SER 125 CO 0.00 -2.90 0.56 0.54 1.20 0.00 0.00 173.24 172.64 3mr8 n ARG 126 N -4.06 0.00 -1.68 5.44 1.74 -1.26 -4.48 116.66 112.36 3mr8 n ARG 126 Ca 0.07 -0.54 -0.45 0.00 -0.77 0.00 0.00 57.85 56.16 3mr8 n ARG 126 Cb 0.55 -0.43 -0.04 0.00 -1.02 0.00 0.00 32.46 31.52 3mr8 n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3mr8 n ASN 127 N 0.00 3.75 -0.21 0.55 2.85 -1.26 -4.85 115.26 116.10 3mr8 n ASN 127 Ca 0.00 0.98 -0.00 0.00 -0.11 0.00 0.00 54.58 55.45 3mr8 n ASN 127 Cb 0.55 -1.47 0.08 0.00 1.24 0.00 0.00 39.78 40.17 3mr8 n ASN 127 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3mr8 h PRO 128 N 8.80 0.03 -0.27 1.20 0.11 -1.99 0.88 132.00 140.77 3mr8 h PRO 128 Ca -0.48 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 3mr8 h PRO 128 Cb 1.25 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3mr8 h PRO 128 CO 0.94 0.02 0.15 0.82 -0.21 0.00 0.00 178.00 179.72 3mr8 h ILE 129 N 0.03 1.03 -0.14 4.15 2.04 -2.01 -2.43 117.51 120.18 3mr8 h ILE 129 Ca 0.31 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.97 3mr8 h ILE 129 Cb 0.49 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3mr8 h ILE 129 CO -0.61 0.06 -0.33 0.78 0.00 0.00 0.00 178.15 178.05 3mr8 h ASN 130 N 0.31 0.27 -0.14 1.72 2.35 -1.61 -2.47 115.58 116.01 3mr8 h ASN 130 Ca 0.10 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3mr8 h ASN 130 Cb 0.00 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3mr8 h ASN 130 CO -0.05 0.60 -0.05 0.40 -1.65 0.00 0.00 177.43 176.68 3mr8 h ILE 131 N 0.23 1.19 0.65 2.81 1.08 -0.58 -2.74 117.51 120.15 3mr8 h ILE 131 Ca 0.03 -0.78 -0.03 0.00 -0.39 0.00 0.00 64.86 63.68 3mr8 h ILE 131 Cb 0.70 1.04 0.01 0.00 -3.07 0.00 0.00 36.82 35.50 3mr8 h ILE 131 CO 0.05 0.26 -0.31 0.00 -0.69 0.00 0.00 178.15 177.46 3mr8 h ALA 132 N 1.55 -1.06 -1.02 1.87 0.00 -0.97 -2.05 119.26 117.59 3mr8 h ALA 132 Ca 0.09 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 55.06 3mr8 h ALA 132 Cb 0.35 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 3mr8 h ALA 132 CO 0.01 -0.99 0.67 1.88 0.00 0.00 0.00 179.25 180.82 3mr8 h TYR 133 N -1.02 0.59 0.41 0.00 -1.99 -1.56 -0.25 116.97 113.16 3mr8 h TYR 133 Ca -0.09 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.64 3mr8 h TYR 133 Cb 0.67 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.24 3mr8 h TYR 133 CO 0.04 0.07 -0.20 0.00 -0.00 0.00 0.00 178.16 178.08 3mr8 h ALA 134 N 1.60 -0.55 -0.86 3.88 0.00 -1.34 -1.66 119.26 120.33 3mr8 h ALA 134 Ca 0.57 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.37 3mr8 h ALA 134 Cb 1.49 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 3mr8 h ALA 134 CO -0.25 -0.75 0.55 1.15 0.00 0.00 0.00 179.25 179.94 3mr8 h THR 135 N -0.67 1.09 0.51 0.00 2.02 -0.33 0.13 112.91 115.65 3mr8 h THR 135 Ca -0.06 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 3mr8 h THR 135 Cb 0.49 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3mr8 h THR 135 CO 0.09 0.19 -0.25 0.24 0.37 0.00 0.00 175.52 176.17 3mr8 h MET 136 N 1.03 -0.66 -0.09 6.66 2.07 -1.28 -1.69 114.93 120.97 3mr8 h MET 136 Ca 0.36 0.05 0.03 0.00 -2.07 0.00 0.00 59.70 58.06 3mr8 h MET 136 Cb 0.10 0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 29.97 3mr8 h MET 136 CO -0.15 -0.38 0.09 1.49 1.07 0.00 0.00 176.91 179.03 3mr8 h GLU 137 N -0.84 0.00 0.23 1.72 4.22 -1.05 -1.25 114.58 117.62 3mr8 h GLU 137 Ca -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 3mr8 h GLU 137 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3mr8 h GLU 137 CO 0.12 0.00 -0.11 0.00 -2.18 0.00 0.00 179.01 176.84 3mr8 h ALA 138 N 1.91 -0.30 -0.56 2.92 0.00 -0.29 -2.70 119.26 120.24 3mr8 h ALA 138 Ca 0.04 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3mr8 h ALA 138 Cb 0.21 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3mr8 h ALA 138 CO -0.00 -0.53 0.37 -0.07 0.00 0.00 0.00 179.25 179.02 3mr8 h LEU 139 N -0.59 0.64 -1.85 0.00 3.38 -0.66 -0.67 115.31 115.57 3mr8 h LEU 139 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3mr8 h LEU 139 Cb 0.43 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3mr8 h LEU 139 CO 0.05 0.47 0.00 -0.09 0.09 0.00 0.00 178.44 178.96 3mr8 h ARG 140 N 0.76 0.00 -0.00 1.13 2.43 -1.08 -1.13 114.38 116.49 3mr8 h ARG 140 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3mr8 h ARG 140 Cb -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3mr8 h ARG 140 CO -0.04 0.00 -0.86 1.04 -1.51 0.00 0.00 179.97 178.60 3mr8 n GLN 141 N -2.74 0.15 -1.69 0.20 6.02 -0.27 -4.97 117.38 114.08 3mr8 n GLN 141 Ca -0.01 -0.12 -0.37 0.00 -0.01 0.00 0.00 57.00 56.48 3mr8 n GLN 141 Cb 0.15 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 29.97 3mr8 n GLN 141 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3mr8 n LEU 142 N -1.32 5.17 -3.67 1.08 4.77 -0.43 -5.02 117.00 117.59 3mr8 n LEU 142 Ca 0.05 0.83 -0.14 0.00 -0.03 0.00 0.00 56.01 56.72 3mr8 n LEU 142 Cb 0.35 -1.50 -0.14 0.00 -2.33 0.00 0.00 43.42 39.80 3mr8 n LEU 142 CO 0.40 -1.28 -0.15 -0.13 -1.33 0.00 0.00 177.39 174.90 3mr8 s ARG 143 N -3.12 0.13 0.90 3.23 1.81 -1.26 -5.01 118.95 115.63 3mr8 s ARG 143 Ca 0.80 0.71 -0.12 0.00 -1.72 0.00 0.00 55.73 55.40 3mr8 s ARG 143 Cb -0.40 -0.07 0.13 0.00 -0.45 0.00 0.00 34.95 34.16 3mr8 s ARG 143 CO 0.43 -0.29 1.10 0.95 -0.68 0.00 0.00 175.30 176.82 3mr8 s THR 144 N 2.37 2.46 0.32 0.02 -4.23 -1.26 -4.83 115.64 110.48 3mr8 s THR 144 Ca 0.01 0.15 0.03 0.00 -1.18 0.00 0.00 61.69 60.70 3mr8 s THR 144 Cb -0.12 -2.75 0.29 0.00 1.34 0.00 0.00 72.50 71.26 3mr8 s THR 144 CO -0.08 -0.19 1.90 0.50 -0.54 0.00 0.00 174.62 176.20 3mr8 h LYS 145 N -1.53 0.88 -0.28 3.99 1.63 -2.00 -1.98 116.57 117.28 3mr8 h LYS 145 Ca -0.50 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.18 3mr8 h LYS 145 Cb 1.30 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 3mr8 h LYS 145 CO 0.58 0.58 -0.07 0.00 -3.45 0.00 0.00 179.45 177.10 3mr8 h ALA 146 N 1.55 0.38 -0.84 5.00 0.00 -1.99 -2.85 119.26 120.52 3mr8 h ALA 146 Ca 0.41 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3mr8 h ALA 146 Cb 0.37 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3mr8 h ALA 146 CO -0.17 0.20 0.53 -0.44 0.00 0.00 0.00 179.25 179.36 3mr8 h ASP 147 N 0.29 0.86 0.47 0.00 5.19 -1.72 0.32 116.42 121.83 3mr8 h ASP 147 Ca 0.07 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 3mr8 h ASP 147 Cb 0.54 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.88 3mr8 h ASP 147 CO 0.03 0.57 -0.23 0.58 -3.12 0.00 0.00 179.24 177.07 3mr8 h VAL 148 N 1.00 0.45 0.00 -1.35 2.07 -1.45 -2.53 116.25 114.44 3mr8 h VAL 148 Ca 0.35 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3mr8 h VAL 148 Cb 0.07 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3mr8 h VAL 148 CO -0.14 0.06 -0.08 1.05 0.02 0.00 0.00 177.57 178.48 3mr8 h GLU 149 N -0.90 0.00 -0.09 1.57 4.11 -1.33 0.27 114.58 118.21 3mr8 h GLU 149 Ca -0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 3mr8 h GLU 149 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3mr8 h GLU 149 CO 0.11 0.08 0.03 -0.09 0.07 0.00 0.00 179.01 179.20 3mr8 h ARG 150 N 0.00 0.14 0.03 1.06 2.43 -0.21 0.40 114.38 118.24 3mr8 h ARG 150 Ca -0.00 -0.03 -0.24 0.00 -0.81 0.00 0.00 59.98 58.90 3mr8 h ARG 150 Cb 0.26 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3mr8 h ARG 150 CO 0.01 0.30 -1.02 -0.07 -1.51 0.00 0.00 179.97 177.68 3mr8 h LEU 151 N -0.04 0.56 -1.12 3.80 3.38 -0.97 -3.12 115.31 117.80 3mr8 h LEU 151 Ca 0.03 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 3mr8 h LEU 151 Cb 0.22 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3mr8 h LEU 151 CO -0.00 1.29 -0.12 -0.09 0.09 0.00 0.00 178.44 179.61 3mr8 h ARG 152 N 0.21 0.00 0.00 1.13 2.43 -0.98 -3.31 114.38 113.86 3mr8 h ARG 152 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3mr8 h ARG 152 Cb 1.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 3mr8 h ARG 152 CO 0.18 0.12 0.00 1.17 -1.51 0.00 0.00 179.97 179.93 3mr8 n LYS 153 N -3.24 0.00 -2.38 0.20 3.00 0.13 -4.89 118.16 110.98 3mr8 n LYS 153 Ca 0.01 0.38 -0.20 0.00 -0.00 0.00 0.00 58.31 58.50 3mr8 n LYS 153 Cb 0.40 -1.36 -0.01 0.00 0.00 0.00 0.00 35.03 34.06 3mr8 n LYS 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3mr8 n GLY 154 N -0.73 -0.43 0.39 3.14 0.00 -1.24 -5.11 105.19 101.20 3mr8 n GLY 154 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3mr8 n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11