#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uvm n SER 2 N 0.00 0.00 0.12 6.12 7.64 -1.26 -0.93 113.62 125.30 2uvm n SER 2 Ca 0.00 -0.16 -0.03 0.00 1.01 0.00 0.00 58.87 59.69 2uvm n SER 2 Cb 0.00 -0.08 0.12 0.00 -1.01 0.00 0.00 64.21 63.24 2uvm n SER 2 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2uvm h ASP 3 N 0.00 0.06 -0.65 6.43 5.19 -2.02 -2.83 116.42 122.61 2uvm h ASP 3 Ca 0.00 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.25 2uvm h ASP 3 Cb 0.02 -0.02 -0.07 0.00 0.18 0.00 0.00 39.33 39.45 2uvm h ASP 3 CO 0.00 0.72 0.14 0.52 -3.12 0.00 0.00 179.24 177.50 2uvm n VAL 4 N -3.76 2.86 -2.35 -1.35 0.31 -0.11 -0.42 118.33 113.50 2uvm n VAL 4 Ca -0.01 -1.56 -0.32 0.00 -0.01 0.00 0.00 64.34 62.44 2uvm n VAL 4 Cb 0.66 -0.32 -0.03 0.00 -0.91 0.00 0.00 33.84 33.24 2uvm n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2uvm s ALA 5 N -2.90 3.02 -0.17 3.52 0.00 -1.07 -4.71 121.76 119.44 2uvm s ALA 5 Ca 0.55 0.22 -0.28 0.00 0.00 0.00 0.00 51.96 52.44 2uvm s ALA 5 Cb 0.43 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 20.41 2uvm s ALA 5 CO 0.14 -0.31 0.98 0.42 0.00 0.00 0.00 175.76 176.99 2uvm s ILE 6 N -2.59 4.76 -0.13 0.00 -1.09 -1.26 -0.58 121.20 120.31 2uvm s ILE 6 Ca 0.60 1.94 0.08 0.00 -2.23 0.00 0.00 60.65 61.03 2uvm s ILE 6 Cb -0.11 -4.27 -0.23 0.00 -1.58 0.00 0.00 42.46 36.27 2uvm s ILE 6 CO 0.32 -0.07 0.31 0.52 -1.23 0.00 0.00 174.94 174.79 2uvm n VAL 7 N 4.92 1.58 -3.61 2.92 0.31 0.10 -4.93 118.33 119.62 2uvm n VAL 7 Ca 0.09 -0.74 -0.12 0.00 -0.01 0.00 0.00 64.34 63.55 2uvm n VAL 7 Cb 0.48 -1.13 -0.07 0.00 -0.91 0.00 0.00 33.84 32.21 2uvm n VAL 7 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2uvm s LYS 8 N -2.55 0.72 0.02 5.55 2.20 -1.18 -5.01 119.74 119.49 2uvm s LYS 8 Ca -0.15 0.63 -0.14 0.00 -0.36 0.00 0.00 55.97 55.94 2uvm s LYS 8 Cb 0.07 0.35 0.02 0.00 -1.51 0.00 0.00 37.83 36.76 2uvm s LYS 8 CO 0.78 -0.13 0.30 -1.83 -0.36 0.00 0.00 175.35 174.11 2uvm s GLU 9 N -0.12 0.75 0.00 4.03 -1.05 -1.26 -0.12 118.70 120.93 2uvm s GLU 9 Ca -0.01 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 2uvm s GLU 9 Cb -0.04 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 2uvm s GLU 9 CO -0.00 -0.23 0.00 0.41 0.95 0.00 0.00 175.26 176.39 2uvm n GLY 10 N 0.86 -2.62 3.87 -3.83 0.00 -0.81 -5.00 105.19 97.66 2uvm n GLY 10 Ca -0.20 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 2uvm n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2uvm s TRP 11 N -2.08 3.44 0.25 1.61 0.52 -1.26 -1.18 118.94 120.25 2uvm s TRP 11 Ca 0.00 0.90 -0.22 0.00 0.02 0.00 0.00 56.10 56.80 2uvm s TRP 11 Cb 0.00 -2.27 0.03 0.00 -1.15 0.00 0.00 33.47 30.08 2uvm s TRP 11 CO 0.00 0.29 0.79 -0.48 0.02 0.00 0.00 176.95 177.56 2uvm s LEU 12 N -2.72 -0.23 -0.11 2.99 0.05 -0.53 -4.89 118.68 113.23 2uvm s LEU 12 Ca 0.46 -0.58 -0.01 0.00 0.05 0.00 0.00 54.13 54.05 2uvm s LEU 12 Cb -0.12 2.58 -0.03 0.00 -2.05 0.00 0.00 46.19 46.58 2uvm s LEU 12 CO 0.21 -1.24 -0.05 -1.00 -0.55 0.00 0.00 176.35 173.71 2uvm s HIS 13 N -3.69 2.98 -0.18 3.48 3.76 0.01 -1.51 115.29 120.15 2uvm s HIS 13 Ca 0.12 -0.16 -0.08 0.00 -0.15 0.00 0.00 55.06 54.78 2uvm s HIS 13 Cb -0.05 -1.84 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 2uvm s HIS 13 CO 0.06 0.13 0.07 0.21 -0.85 0.00 0.00 174.74 174.36 2uvm s LYS 14 N -0.19 3.99 0.31 1.40 2.20 0.15 -1.03 119.74 126.57 2uvm s LYS 14 Ca 0.03 -0.34 -0.27 0.00 -0.36 0.00 0.00 55.97 55.03 2uvm s LYS 14 Cb -0.13 -3.23 -0.09 0.00 -1.51 0.00 0.00 37.83 32.86 2uvm s LYS 14 CO 0.03 0.27 1.00 0.50 -0.36 0.00 0.00 175.35 176.78 2uvm s ARG 15 N 0.39 4.55 0.62 4.03 6.06 0.59 -0.17 118.95 135.02 2uvm s ARG 15 Ca 0.03 1.51 -0.17 0.00 -2.50 0.00 0.00 55.73 54.60 2uvm s ARG 15 Cb -0.12 -2.92 -0.02 0.00 0.06 0.00 0.00 34.95 31.94 2uvm s ARG 15 CO 0.00 0.21 1.17 0.20 -2.50 0.00 0.00 175.30 174.39 2uvm s GLY 16 N -1.35 2.53 -0.15 8.12 0.00 0.97 -4.72 107.32 112.70 2uvm s GLY 16 Ca 0.49 0.85 -0.11 0.00 0.00 0.00 0.00 44.72 45.95 2uvm s GLY 16 CO 0.30 1.23 -0.16 1.18 0.00 0.00 0.00 173.10 175.65 2uvm n GLU 17 N -1.89 0.47 0.00 2.90 4.71 -1.26 -4.64 120.64 120.92 2uvm n GLU 17 Ca 0.12 0.50 0.08 0.00 -0.01 0.00 0.00 57.16 57.86 2uvm n GLU 17 Cb 0.50 -1.68 -0.03 0.00 -1.01 0.00 0.00 31.44 29.23 2uvm n GLU 17 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2uvm n TYR 18 N -4.58 0.00 -5.21 -0.32 4.01 -1.26 -4.92 117.16 104.88 2uvm n TYR 18 Ca -0.10 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.33 2uvm n TYR 18 Cb 0.33 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.20 2uvm n TYR 18 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2uvm s ILE 19 N -2.15 2.06 -0.50 -0.72 1.10 -1.26 -5.08 121.20 114.64 2uvm s ILE 19 Ca 0.11 -1.17 -0.24 0.00 -0.51 0.00 0.00 60.65 58.84 2uvm s ILE 19 Cb 0.13 -1.72 0.03 0.00 0.15 0.00 0.00 42.46 41.06 2uvm s ILE 19 CO 0.50 0.53 0.91 -0.54 -2.11 0.00 0.00 174.94 174.23 2uvm s LYS 20 N -0.75 3.42 -0.07 3.50 1.02 -1.26 -4.07 119.74 121.53 2uvm s LYS 20 Ca 0.10 -0.08 -0.31 0.00 0.02 0.00 0.00 55.97 55.70 2uvm s LYS 20 Cb -0.10 -3.99 0.12 0.00 -0.52 0.00 0.00 37.83 33.34 2uvm s LYS 20 CO -0.00 -1.33 1.08 -0.08 -0.92 0.00 0.00 175.35 174.10 2uvm s THR 21 N 3.77 0.00 -0.13 2.17 -1.32 -1.26 -4.99 115.64 113.87 2uvm s THR 21 Ca 0.33 -0.10 0.01 0.00 -1.21 0.00 0.00 61.69 60.72 2uvm s THR 21 Cb -0.12 -1.24 0.02 0.00 -1.51 0.00 0.00 72.50 69.66 2uvm s THR 21 CO 0.22 0.00 -0.15 0.26 -2.21 0.00 0.00 174.62 172.75 2uvm s TRP 22 N -2.76 2.10 -0.20 9.09 0.52 -1.26 -0.02 118.94 126.41 2uvm s TRP 22 Ca 0.09 -1.11 -0.10 0.00 0.02 0.00 0.00 56.10 55.00 2uvm s TRP 22 Cb -0.00 -1.53 -0.05 0.00 -1.15 0.00 0.00 33.47 30.73 2uvm s TRP 22 CO -0.05 -0.59 0.12 1.03 0.02 0.00 0.00 176.95 177.48 2uvm s ARG 23 N 1.28 4.15 0.32 4.98 0.52 0.76 -4.86 118.95 126.09 2uvm s ARG 23 Ca 0.00 -0.24 -0.28 0.00 -0.52 0.00 0.00 55.73 54.69 2uvm s ARG 23 Cb -0.14 -3.40 -0.10 0.00 0.52 0.00 0.00 34.95 31.83 2uvm s ARG 23 CO -0.07 0.27 1.18 -1.25 0.02 0.00 0.00 175.30 175.46 2uvm s PRO 24 N 0.43 4.42 -0.03 3.54 0.04 -1.26 -0.67 135.00 141.47 2uvm s PRO 24 Ca 0.07 1.95 -0.17 0.00 0.04 0.00 0.00 61.00 62.89 2uvm s PRO 24 Cb -0.11 -3.04 0.03 0.00 0.04 0.00 0.00 34.50 31.42 2uvm s PRO 24 CO -0.01 -0.03 0.37 1.03 0.04 0.00 0.00 177.00 178.40 2uvm s ARG 25 N -1.75 0.72 -0.22 4.56 1.81 -0.57 -4.71 118.95 118.79 2uvm s ARG 25 Ca 0.49 -0.09 -0.05 0.00 -1.72 0.00 0.00 55.73 54.36 2uvm s ARG 25 Cb -0.34 0.33 -0.02 0.00 -0.45 0.00 0.00 34.95 34.47 2uvm s ARG 25 CO 0.44 -0.20 -0.01 -0.47 -0.68 0.00 0.00 175.30 174.39 2uvm s TYR 26 N -1.24 3.00 0.07 -0.53 6.14 0.09 -1.46 117.35 123.42 2uvm s TYR 26 Ca -0.13 -0.71 0.06 0.00 0.64 0.00 0.00 57.07 56.94 2uvm s TYR 26 Cb -0.04 -2.14 -0.04 0.00 0.42 0.00 0.00 41.96 40.16 2uvm s TYR 26 CO 0.05 -0.44 -0.10 -0.06 0.64 0.00 0.00 175.55 175.64 2uvm s PHE 27 N 1.42 2.75 -0.05 4.97 0.40 -0.32 -1.24 117.98 125.91 2uvm s PHE 27 Ca 0.05 -0.14 0.04 0.00 -0.60 0.00 0.00 56.93 56.28 2uvm s PHE 27 Cb -0.15 -1.49 -0.00 0.00 0.51 0.00 0.00 43.02 41.90 2uvm s PHE 27 CO -0.00 0.38 -0.18 -0.51 0.70 0.00 0.00 175.22 175.61 2uvm s LEU 28 N -1.88 1.92 -0.20 -0.37 2.01 0.30 -1.93 118.68 118.54 2uvm s LEU 28 Ca 0.19 -0.37 -0.04 0.00 0.01 0.00 0.00 54.13 53.92 2uvm s LEU 28 Cb -0.11 -1.01 -0.02 0.00 0.01 0.00 0.00 46.19 45.06 2uvm s LEU 28 CO 0.11 0.16 -0.03 -0.22 1.01 0.00 0.00 176.35 177.37 2uvm s LEU 29 N 0.05 3.05 0.18 1.79 2.96 0.83 -1.44 118.68 126.10 2uvm s LEU 29 Ca -0.05 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 2uvm s LEU 29 Cb -0.12 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2uvm s LEU 29 CO 0.03 0.05 0.22 -0.54 -1.32 0.00 0.00 176.35 174.78 2uvm s LYS 30 N 1.09 3.14 0.23 1.98 1.02 0.51 0.01 119.74 127.73 2uvm s LYS 30 Ca 0.02 -0.80 0.18 0.00 0.02 0.00 0.00 55.97 55.38 2uvm s LYS 30 Cb -0.15 -2.76 0.90 0.00 -0.52 0.00 0.00 37.83 35.30 2uvm s LYS 30 CO 0.00 0.48 1.54 -1.71 -0.92 0.00 0.00 175.35 174.74 2uvm n ASN 31 N -0.68 0.45 -1.47 2.83 2.85 0.25 -1.46 115.26 118.03 2uvm n ASN 31 Ca -0.08 0.68 0.07 0.00 -0.11 0.00 0.00 54.58 55.14 2uvm n ASN 31 Cb 0.55 -0.75 0.31 0.00 1.24 0.00 0.00 39.78 41.13 2uvm n ASN 31 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2uvm n ASP 32 N -2.08 4.34 0.00 1.20 5.75 0.43 -4.84 116.55 121.36 2uvm n ASP 32 Ca -0.00 -2.54 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 2uvm n ASP 32 Cb 0.07 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 2uvm n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2uvm n GLY 33 N 0.75 0.82 3.72 6.12 0.00 -0.54 -4.92 105.19 111.14 2uvm n GLY 33 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2uvm n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uvm s THR 34 N -3.19 4.40 -0.29 2.61 2.01 -1.23 -0.43 115.64 119.52 2uvm s THR 34 Ca 0.00 1.86 0.01 0.00 0.31 0.00 0.00 61.69 63.87 2uvm s THR 34 Cb 0.00 -4.19 0.09 0.00 0.01 0.00 0.00 72.50 68.41 2uvm s THR 34 CO 0.00 0.22 0.03 0.12 -0.69 0.00 0.00 174.62 174.30 2uvm s PHE 35 N 0.50 2.50 -0.01 4.92 5.36 -0.19 -0.36 117.98 130.69 2uvm s PHE 35 Ca 0.51 -2.08 0.07 0.00 -0.96 0.00 0.00 56.93 54.47 2uvm s PHE 35 Cb -0.25 -1.99 -0.02 0.00 -0.34 0.00 0.00 43.02 40.41 2uvm s PHE 35 CO 0.30 -0.85 -0.21 0.96 -1.46 0.00 0.00 175.22 173.95 2uvm s ILE 36 N 1.35 2.49 0.14 3.12 -4.36 -0.52 -1.12 121.20 122.29 2uvm s ILE 36 Ca 0.05 -1.02 0.11 0.00 -0.26 0.00 0.00 60.65 59.52 2uvm s ILE 36 Cb -0.18 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.55 2uvm s ILE 36 CO -0.13 0.53 -0.26 -0.83 0.24 0.00 0.00 174.94 174.48 2uvm s GLY 37 N -0.83 1.59 0.11 6.27 0.00 -0.56 -0.54 107.32 113.37 2uvm s GLY 37 Ca 0.11 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 43.34 2uvm s GLY 37 CO 0.01 -1.49 -0.02 -0.19 0.00 0.00 0.00 173.10 171.40 2uvm s TYR 38 N -1.21 0.89 0.11 1.90 2.02 -0.38 -0.52 117.35 120.16 2uvm s TYR 38 Ca 0.15 -1.02 0.21 0.00 -0.37 0.00 0.00 57.07 56.04 2uvm s TYR 38 Cb -0.09 -0.53 0.71 0.00 -0.40 0.00 0.00 41.96 41.65 2uvm s TYR 38 CO 0.07 -0.27 1.74 0.87 -1.57 0.00 0.00 175.55 176.39 2uvm h LYS 39 N 2.92 0.00 -3.92 -0.62 1.79 -1.87 0.28 116.57 115.15 2uvm h LYS 39 Ca -0.35 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.01 2uvm h LYS 39 Cb 1.17 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.70 2uvm h LYS 39 CO 0.64 0.32 -0.34 -1.21 -1.08 0.00 0.00 179.45 177.77 2uvm s GLU 40 N -3.56 1.14 0.01 3.15 2.02 -1.26 -4.63 118.70 115.57 2uvm s GLU 40 Ca 0.01 -1.19 -0.30 0.00 0.02 0.00 0.00 54.97 53.50 2uvm s GLU 40 Cb 0.10 0.37 -0.06 0.00 0.10 0.00 0.00 34.13 34.64 2uvm s GLU 40 CO 0.67 -0.41 1.51 0.50 0.02 0.00 0.00 175.26 177.55 2uvm s ARG 41 N -3.97 4.24 0.12 1.61 3.52 -1.26 -4.73 118.95 118.47 2uvm s ARG 41 Ca 0.18 2.11 -0.32 0.00 -0.13 0.00 0.00 55.73 57.57 2uvm s ARG 41 Cb 0.04 -3.63 -0.11 0.00 -1.56 0.00 0.00 34.95 29.68 2uvm s ARG 41 CO 0.00 -0.66 1.81 -2.30 -0.81 0.00 0.00 175.30 173.34 2uvm n PRO 42 N 5.67 2.70 0.04 5.12 -0.02 -1.26 -4.91 135.00 142.34 2uvm n PRO 42 Ca 0.15 0.98 -0.05 0.00 -2.02 0.00 0.00 63.50 62.55 2uvm n PRO 42 Cb 0.42 -2.86 -0.10 0.00 -0.02 0.00 0.00 33.50 30.94 2uvm n PRO 42 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2uvm h GLN 43 N 8.23 0.00 0.00 -0.52 1.08 -1.91 -3.47 115.11 118.51 2uvm h GLN 43 Ca -0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 2uvm h GLN 43 Cb 1.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 2uvm h GLN 43 CO 0.94 0.63 0.00 -0.40 -0.95 0.00 0.00 178.83 179.05 2uvm n ASP 44 N -3.14 0.00 -0.12 1.46 5.68 -1.26 -5.03 116.55 114.14 2uvm n ASP 44 Ca -0.08 -0.56 -0.11 0.00 -0.50 0.00 0.00 54.79 53.55 2uvm n ASP 44 Cb 0.94 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.89 2uvm n ASP 44 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2uvm h VAL 45 N 0.56 1.26 -0.43 2.12 2.07 -1.97 -2.22 116.25 117.64 2uvm h VAL 45 Ca 0.00 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 2uvm h VAL 45 Cb 0.00 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2uvm h VAL 45 CO 0.00 0.31 0.25 0.44 0.02 0.00 0.00 177.57 178.59 2uvm h ASP 46 N 0.40 0.53 0.59 0.57 3.45 -1.97 -1.36 116.42 118.64 2uvm h ASP 46 Ca 0.10 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 2uvm h ASP 46 Cb 0.44 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.07 2uvm h ASP 46 CO 0.02 0.45 -0.07 1.56 -1.57 0.00 0.00 179.24 179.64 2uvm h GLN 47 N 0.57 0.00 0.01 3.56 4.20 -1.87 -2.60 115.11 118.97 2uvm h GLN 47 Ca 0.15 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.64 2uvm h GLN 47 Cb 0.03 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 2uvm h GLN 47 CO -0.03 0.07 -1.08 0.00 -0.67 0.00 0.00 178.83 177.12 2uvm h ARG 48 N 0.00 0.01 0.00 1.46 2.47 -0.64 -3.28 114.38 114.40 2uvm h ARG 48 Ca -0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2uvm h ARG 48 Cb 0.38 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2uvm h ARG 48 CO 0.01 0.97 0.00 0.39 0.56 0.00 0.00 179.97 181.89 2uvm n GLU 49 N -3.33 0.69 -2.90 0.04 1.02 -0.61 -4.13 120.64 111.42 2uvm n GLU 49 Ca -0.02 0.01 -0.26 0.00 -0.02 0.00 0.00 57.16 56.86 2uvm n GLU 49 Cb 0.95 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.84 2uvm n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2uvm n ALA 50 N -1.13 4.59 -1.69 0.62 0.00 -1.21 -5.09 120.51 116.60 2uvm n ALA 50 Ca 0.18 -4.60 -0.34 0.00 0.00 0.00 0.00 53.44 48.69 2uvm n ALA 50 Cb 0.16 -0.72 0.01 0.00 0.00 0.00 0.00 19.45 18.90 2uvm n ALA 50 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2uvm s PRO 51 N -3.43 3.29 0.02 0.00 0.04 -1.26 -4.96 135.00 128.70 2uvm s PRO 51 Ca 0.48 1.41 -0.04 0.00 0.04 0.00 0.00 61.00 62.89 2uvm s PRO 51 Cb 0.30 -2.02 -0.28 0.00 0.04 0.00 0.00 34.50 32.54 2uvm s PRO 51 CO -0.14 -0.86 0.93 -0.07 0.04 0.00 0.00 177.00 176.90 2uvm h LEU 52 N 0.79 0.44 -8.56 -3.56 3.38 -1.19 -3.47 115.31 103.14 2uvm h LEU 52 Ca -0.48 -0.56 -0.53 0.00 0.09 0.00 0.00 57.88 56.40 2uvm h LEU 52 Cb 1.24 -0.14 -0.23 0.00 0.09 0.00 0.00 40.66 41.62 2uvm h LEU 52 CO 0.57 1.45 -0.82 0.20 0.09 0.00 0.00 178.44 179.93 2uvm s ASN 53 N -7.07 2.30 -0.27 -0.43 -0.87 -1.00 -4.98 114.94 102.62 2uvm s ASN 53 Ca -0.08 -0.60 -0.02 0.00 -1.57 0.00 0.00 52.86 50.58 2uvm s ASN 53 Cb 0.07 -0.14 0.16 0.00 -0.02 0.00 0.00 41.25 41.31 2uvm s ASN 53 CO 0.87 0.07 0.49 0.21 -2.57 0.00 0.00 177.10 176.16 2uvm s ASN 54 N -1.59 -0.56 0.32 -1.22 3.84 -1.26 -1.49 114.94 112.97 2uvm s ASN 54 Ca 0.05 0.60 0.08 0.00 0.21 0.00 0.00 52.86 53.79 2uvm s ASN 54 Cb -0.09 1.64 -0.06 0.00 -0.55 0.00 0.00 41.25 42.18 2uvm s ASN 54 CO 0.03 -0.28 -0.06 -0.36 -2.79 0.00 0.00 177.10 173.64 2uvm s PHE 55 N 2.70 2.17 -0.12 0.43 0.08 -0.28 -4.98 117.98 117.98 2uvm s PHE 55 Ca 0.15 -0.63 0.01 0.00 0.12 0.00 0.00 56.93 56.59 2uvm s PHE 55 Cb -0.15 -1.27 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 2uvm s PHE 55 CO -0.18 0.40 -0.17 0.45 -0.10 0.00 0.00 175.22 175.62 2uvm s SER 56 N -3.53 3.66 -0.14 1.36 0.15 -1.26 -1.03 113.70 112.92 2uvm s SER 56 Ca 0.31 -0.42 0.17 0.00 0.70 0.00 0.00 55.95 56.71 2uvm s SER 56 Cb 0.04 -1.54 0.73 0.00 -1.71 0.00 0.00 66.02 63.53 2uvm s SER 56 CO 0.14 0.15 1.63 1.33 1.20 0.00 0.00 173.24 177.69 2uvm n VAL 57 N 3.61 1.97 -2.08 4.45 0.24 0.42 -4.40 118.33 122.54 2uvm n VAL 57 Ca -0.19 -1.18 -0.41 0.00 -2.04 0.00 0.00 64.34 60.52 2uvm n VAL 57 Cb 0.53 0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 32.89 2uvm n VAL 57 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2uvm s ALA 58 N -2.03 3.60 -1.47 2.33 0.00 -1.26 -2.88 121.76 120.05 2uvm s ALA 58 Ca 0.50 1.26 -0.10 0.00 0.00 0.00 0.00 51.96 53.62 2uvm s ALA 58 Cb 0.34 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.99 2uvm s ALA 58 CO 0.22 -0.68 0.92 1.04 0.00 0.00 0.00 175.76 177.27 2uvm n GLN 59 N 2.50 -5.49 -2.72 0.00 6.02 -1.26 -4.66 117.38 111.77 2uvm n GLN 59 Ca 0.07 0.61 -0.20 0.00 -0.01 0.00 0.00 57.00 57.47 2uvm n GLN 59 Cb 0.41 -5.43 0.03 0.00 1.02 0.00 0.00 30.24 26.28 2uvm n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2uvm s GLN 61 N -4.68 2.87 -0.16 0.00 1.11 -0.02 -4.94 119.66 113.84 2uvm s GLN 61 Ca 0.57 -0.51 -0.00 0.00 0.01 0.00 0.00 55.36 55.43 2uvm s GLN 61 Cb -0.10 -2.72 0.04 0.00 -1.01 0.00 0.00 33.01 29.21 2uvm s GLN 61 CO 0.37 0.66 -0.08 -0.51 0.01 0.00 0.00 175.29 175.74 2uvm s LEU 62 N -1.19 1.68 0.12 2.90 1.02 -1.26 -1.68 118.68 120.27 2uvm s LEU 62 Ca 0.16 -0.61 0.10 0.00 0.02 0.00 0.00 54.13 53.80 2uvm s LEU 62 Cb -0.11 -1.01 -0.04 0.00 0.02 0.00 0.00 46.19 45.04 2uvm s LEU 62 CO 0.06 -0.14 -0.21 -0.04 0.02 0.00 0.00 176.35 176.04 2uvm s MET 63 N 1.57 1.67 -0.08 1.70 -1.94 0.01 -4.97 119.30 117.27 2uvm s MET 63 Ca 0.02 -1.23 0.05 0.00 -1.71 0.00 0.00 55.69 52.82 2uvm s MET 63 Cb -0.14 -2.05 -0.00 0.00 2.01 0.00 0.00 34.83 34.64 2uvm s MET 63 CO -0.08 0.47 -0.24 0.15 -0.01 0.00 0.00 175.02 175.31 2uvm s LYS 64 N -2.09 2.78 0.22 2.03 1.02 -1.26 0.24 119.74 122.68 2uvm s LYS 64 Ca 0.17 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.29 2uvm s LYS 64 Cb -0.10 -2.20 -0.05 0.00 -0.52 0.00 0.00 37.83 34.96 2uvm s LYS 64 CO 0.09 0.26 0.10 0.95 -0.92 0.00 0.00 175.35 175.83 2uvm s THR 65 N 0.14 0.31 0.00 2.17 -4.23 -0.34 -4.99 115.64 108.70 2uvm s THR 65 Ca -0.12 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 2uvm s THR 65 Cb -0.16 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.16 2uvm s THR 65 CO 0.07 -0.06 0.40 -0.62 -0.54 0.00 0.00 174.62 173.87 2uvm n GLU 66 N -0.35 -0.72 -5.20 3.99 -0.58 -1.26 -1.93 120.64 114.59 2uvm n GLU 66 Ca 0.00 -0.40 -0.30 0.00 -0.42 0.00 0.00 57.16 56.04 2uvm n GLU 66 Cb 0.66 -0.90 -0.16 0.00 -0.57 0.00 0.00 31.44 30.47 2uvm n GLU 66 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2uvm s ARG 67 N -0.01 2.22 0.24 3.49 3.00 -1.26 -2.84 118.95 123.79 2uvm s ARG 67 Ca 0.00 -0.86 0.26 0.00 0.00 0.00 0.00 55.73 55.13 2uvm s ARG 67 Cb 0.00 -1.99 0.77 0.00 0.00 0.00 0.00 34.95 33.73 2uvm s ARG 67 CO 0.00 0.43 1.76 -1.00 0.00 0.00 0.00 175.30 176.49 2uvm h PRO 68 N 5.85 0.00 -6.04 3.54 0.13 -2.03 -3.49 132.00 129.97 2uvm h PRO 68 Ca -0.36 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.09 2uvm h PRO 68 Cb 1.15 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.07 2uvm h PRO 68 CO 0.47 0.00 -0.73 1.03 -0.23 0.00 0.00 178.00 178.55 2uvm s ARG 69 N -3.12 2.82 0.76 0.86 1.81 -1.21 -5.11 118.95 115.76 2uvm s ARG 69 Ca 0.10 -0.61 -0.12 0.00 -1.72 0.00 0.00 55.73 53.38 2uvm s ARG 69 Cb 0.11 -2.55 0.05 0.00 -0.45 0.00 0.00 34.95 32.11 2uvm s ARG 69 CO 0.60 0.56 1.10 -2.14 -0.68 0.00 0.00 175.30 174.75 2uvm s PRO 70 N -0.55 2.26 -1.36 3.54 0.02 -1.13 -3.62 135.00 134.16 2uvm s PRO 70 Ca 0.08 1.27 -0.08 0.00 0.02 0.00 0.00 61.00 62.30 2uvm s PRO 70 Cb -0.12 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.52 2uvm s PRO 70 CO 0.02 -1.66 1.01 0.09 -0.33 0.00 0.00 177.00 176.13 2uvm n ASN 71 N -3.32 -6.18 -4.87 2.53 3.02 -1.25 -4.67 115.26 100.52 2uvm n ASN 71 Ca 0.10 -0.46 -0.33 0.00 -0.03 0.00 0.00 54.58 53.86 2uvm n ASN 71 Cb 0.53 -4.85 -0.05 0.00 -0.61 0.00 0.00 39.78 34.79 2uvm n ASN 71 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2uvm s THR 72 N -3.27 5.21 0.03 3.41 2.01 -0.81 -1.82 115.64 120.40 2uvm s THR 72 Ca 0.50 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.23 2uvm s THR 72 Cb -0.22 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 2uvm s THR 72 CO 0.62 0.29 -0.06 0.72 -0.69 0.00 0.00 174.62 175.50 2uvm s PHE 73 N -1.32 0.54 0.00 4.92 -0.71 0.12 -1.20 117.98 120.33 2uvm s PHE 73 Ca 0.27 -0.45 0.08 0.00 -1.04 0.00 0.00 56.93 55.79 2uvm s PHE 73 Cb -0.12 -0.33 -0.02 0.00 -1.21 0.00 0.00 43.02 41.33 2uvm s PHE 73 CO 0.19 -0.10 -0.24 0.42 -1.34 0.00 0.00 175.22 174.15 2uvm s ILE 74 N -1.24 2.29 -0.13 -4.49 1.01 0.14 -0.62 121.20 118.16 2uvm s ILE 74 Ca -0.10 -1.16 0.03 0.00 0.00 0.00 0.00 60.65 59.41 2uvm s ILE 74 Cb -0.09 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.53 2uvm s ILE 74 CO 0.00 0.48 -0.22 -0.63 0.00 0.00 0.00 174.94 174.58 2uvm s ILE 75 N -0.72 1.99 -0.25 2.92 1.01 -0.34 -0.81 121.20 125.01 2uvm s ILE 75 Ca 0.11 -0.95 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 2uvm s ILE 75 Cb -0.10 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 2uvm s ILE 75 CO 0.01 0.54 0.06 0.00 0.00 0.00 0.00 174.94 175.55 2uvm s ARG 76 N 0.75 3.63 0.29 2.79 1.04 -0.68 -1.26 118.95 125.52 2uvm s ARG 76 Ca -0.09 -0.49 -0.04 0.00 -1.04 0.00 0.00 55.73 54.07 2uvm s ARG 76 Cb -0.16 -3.29 -0.01 0.00 -2.04 0.00 0.00 34.95 29.45 2uvm s ARG 76 CO -0.00 -0.18 0.39 0.00 -0.04 0.00 0.00 175.30 175.47 2uvm s LEU 78 N -3.17 4.62 -0.78 0.00 2.96 -1.26 0.10 118.68 121.15 2uvm s LEU 78 Ca 0.31 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.64 2uvm s LEU 78 Cb 0.01 -2.22 0.20 0.00 0.50 0.00 0.00 46.19 44.68 2uvm s LEU 78 CO 0.16 -0.33 0.69 -1.58 -1.32 0.00 0.00 176.35 173.97 2uvm s GLN 79 N 1.84 3.38 3.13 1.98 2.00 0.69 -4.55 119.66 128.12 2uvm s GLN 79 Ca 0.08 -2.45 0.00 0.00 -2.00 0.00 0.00 55.36 50.99 2uvm s GLN 79 Cb -0.17 -4.29 0.00 0.00 0.80 0.00 0.00 33.01 29.35 2uvm s GLN 79 CO 0.11 -1.27 0.00 1.87 -0.50 0.00 0.00 175.29 175.50 2uvm n TRP 80 N 3.92 0.00 -0.22 1.67 -0.00 -1.26 -2.56 117.44 119.00 2uvm n TRP 80 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.62 2uvm n TRP 80 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.76 2uvm n TRP 80 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 2uvm n THR 81 N 0.00 0.59 -4.78 5.87 -2.24 -1.26 -5.02 114.28 107.44 2uvm n THR 81 Ca 0.00 -0.69 -0.33 0.00 -2.27 0.00 0.00 64.05 60.76 2uvm n THR 81 Cb 0.00 0.76 -0.14 0.00 -2.10 0.00 0.00 70.33 68.85 2uvm n THR 81 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2uvm s THR 82 N -0.59 3.11 0.01 4.28 2.01 -1.06 -5.10 115.64 118.29 2uvm s THR 82 Ca 0.00 -0.65 -0.27 0.00 0.31 0.00 0.00 61.69 61.08 2uvm s THR 82 Cb 0.00 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 2uvm s THR 82 CO 0.00 0.54 0.85 -0.69 -0.69 0.00 0.00 174.62 174.63 2uvm s VAL 83 N 0.15 4.84 0.12 3.82 1.01 -1.26 -0.22 120.40 128.85 2uvm s VAL 83 Ca -0.07 1.79 0.03 0.00 0.00 0.00 0.00 61.98 63.74 2uvm s VAL 83 Cb -0.15 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2uvm s VAL 83 CO 0.05 0.25 -0.08 0.27 0.00 0.00 0.00 175.10 175.59 2uvm s ILE 84 N 0.57 0.90 -0.07 2.22 -4.36 0.11 -4.94 121.20 115.63 2uvm s ILE 84 Ca 0.44 -1.99 0.05 0.00 -0.26 0.00 0.00 60.65 58.90 2uvm s ILE 84 Cb -0.20 -1.76 -0.01 0.00 1.25 0.00 0.00 42.46 41.74 2uvm s ILE 84 CO 0.24 -0.82 -0.25 -1.61 0.24 0.00 0.00 174.94 172.75 2uvm s GLU 85 N -3.80 2.70 0.00 0.37 2.02 -1.26 -0.53 118.70 118.21 2uvm s GLU 85 Ca 0.14 -0.90 0.05 0.00 0.02 0.00 0.00 54.97 54.29 2uvm s GLU 85 Cb 0.04 -2.21 -0.02 0.00 0.10 0.00 0.00 34.13 32.05 2uvm s GLU 85 CO -0.02 0.32 -0.16 1.03 0.02 0.00 0.00 175.26 176.44 2uvm s ARG 86 N -0.01 1.26 -0.11 1.61 1.81 -0.39 -4.98 118.95 118.14 2uvm s ARG 86 Ca -0.08 -0.65 0.02 0.00 -1.72 0.00 0.00 55.73 53.30 2uvm s ARG 86 Cb -0.15 -1.25 -0.01 0.00 -0.45 0.00 0.00 34.95 33.10 2uvm s ARG 86 CO 0.05 0.33 -0.19 0.99 -0.68 0.00 0.00 175.30 175.81 2uvm s THR 87 N -0.50 2.56 0.11 0.02 2.01 -1.26 -1.19 115.64 117.38 2uvm s THR 87 Ca 0.06 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.26 2uvm s THR 87 Cb -0.07 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 2uvm s THR 87 CO -0.00 0.55 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.99 2uvm s PHE 88 N 0.26 1.25 0.02 4.92 0.40 0.21 -0.30 117.98 124.73 2uvm s PHE 88 Ca -0.13 -0.60 0.00 0.00 -0.60 0.00 0.00 56.93 55.61 2uvm s PHE 88 Cb -0.16 -0.66 -0.01 0.00 0.51 0.00 0.00 43.02 42.69 2uvm s PHE 88 CO 0.07 0.08 -0.02 -3.38 0.70 0.00 0.00 175.22 172.66 2uvm s HIS 89 N -2.25 0.21 0.41 0.36 -3.43 -0.20 0.16 115.29 110.56 2uvm s HIS 89 Ca 0.07 -0.39 0.01 0.00 -0.80 0.00 0.00 55.06 53.95 2uvm s HIS 89 Cb -0.04 -0.15 -0.00 0.00 -1.43 0.00 0.00 32.58 30.95 2uvm s HIS 89 CO 0.02 -0.13 0.03 1.33 -2.00 0.00 0.00 174.74 173.99 2uvm n VAL 90 N 1.99 0.00 0.09 -5.38 0.24 -0.75 -0.81 118.33 113.71 2uvm n VAL 90 Ca -0.21 -2.04 -0.12 0.00 -2.04 0.00 0.00 64.34 59.93 2uvm n VAL 90 Cb 0.56 0.49 -0.08 0.00 -1.47 0.00 0.00 33.84 33.35 2uvm n VAL 90 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2uvm h GLU 91 N 0.00 0.24 -4.69 7.34 4.39 -1.90 -3.44 114.58 116.53 2uvm h GLU 91 Ca -0.34 -0.33 -0.25 0.00 0.34 0.00 0.00 59.36 58.78 2uvm h GLU 91 Cb 1.08 0.11 -0.17 0.00 -0.10 0.00 0.00 28.75 29.67 2uvm h GLU 91 CO 0.55 1.10 -0.71 0.95 -1.16 0.00 0.00 179.01 179.74 2uvm s THR 92 N -2.93 0.70 0.31 1.13 -4.23 -1.26 -4.98 115.64 104.39 2uvm s THR 92 Ca -0.03 -1.67 0.33 0.00 -1.18 0.00 0.00 61.69 59.13 2uvm s THR 92 Cb 0.09 -1.36 0.36 0.00 1.34 0.00 0.00 72.50 72.92 2uvm s THR 92 CO 0.86 -0.70 2.08 1.55 -0.54 0.00 0.00 174.62 177.87 2uvm h PRO 93 N 3.44 0.00 -0.44 3.99 0.13 -1.93 -1.66 132.00 135.54 2uvm h PRO 93 Ca -0.36 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.69 2uvm h PRO 93 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2uvm h PRO 93 CO 0.57 0.06 -0.05 0.93 -0.23 0.00 0.00 178.00 179.28 2uvm h GLU 94 N 0.00 0.81 0.00 0.86 3.07 -2.00 -2.06 114.58 115.26 2uvm h GLU 94 Ca -0.00 -0.28 -0.14 0.00 -0.50 0.00 0.00 59.36 58.44 2uvm h GLU 94 Cb 0.38 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 2uvm h GLU 94 CO 0.01 0.89 -0.67 1.05 -1.40 0.00 0.00 179.01 178.89 2uvm h GLU 95 N 0.64 0.00 -0.66 2.33 4.11 -1.81 -2.56 114.58 116.63 2uvm h GLU 95 Ca 0.12 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.50 2uvm h GLU 95 Cb 0.56 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2uvm h GLU 95 CO 0.03 0.67 0.23 -0.09 0.07 0.00 0.00 179.01 179.92 2uvm h ARG 96 N 0.00 1.01 -0.46 1.06 2.43 -1.17 -1.83 114.38 115.41 2uvm h ARG 96 Ca -0.01 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 58.91 2uvm h ARG 96 Cb 1.26 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 2uvm h ARG 96 CO 0.09 0.87 0.10 0.93 -1.51 0.00 0.00 179.97 180.44 2uvm h GLU 97 N 0.94 0.70 -0.52 0.20 4.39 -1.24 0.47 114.58 119.52 2uvm h GLU 97 Ca 0.22 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.69 2uvm h GLU 97 Cb 0.26 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2uvm h GLU 97 CO -0.01 0.65 -0.03 0.93 -1.16 0.00 0.00 179.01 179.39 2uvm h GLU 98 N 0.68 0.91 -0.10 2.33 5.08 -1.02 -0.23 114.58 122.23 2uvm h GLU 98 Ca 0.15 -0.28 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 2uvm h GLU 98 Cb 0.27 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2uvm h GLU 98 CO -0.00 0.92 -0.40 -1.49 -1.00 0.00 0.00 179.01 177.04 2uvm h TRP 99 N 0.84 0.60 0.00 4.33 4.06 -0.81 -1.74 115.95 123.23 2uvm h TRP 99 Ca 0.15 -0.25 -0.12 0.00 2.06 0.00 0.00 58.89 60.73 2uvm h TRP 99 Cb 0.53 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.58 2uvm h TRP 99 CO 0.03 1.01 -0.57 1.79 -3.56 0.00 0.00 178.44 177.13 2uvm h THR 100 N 0.02 1.33 -0.13 1.49 1.35 -0.87 -1.03 112.91 115.07 2uvm h THR 100 Ca -0.02 -2.02 -0.22 0.00 -0.55 0.00 0.00 66.41 63.60 2uvm h THR 100 Cb 1.04 2.12 0.01 0.00 -1.73 0.00 0.00 68.15 69.58 2uvm h THR 100 CO 0.08 0.56 -0.78 0.74 -0.25 0.00 0.00 175.52 175.87 2uvm h THR 101 N 0.00 1.29 -0.40 6.82 2.02 -1.10 -2.06 112.91 119.48 2uvm h THR 101 Ca -0.01 -1.99 -0.05 0.00 0.77 0.00 0.00 66.41 65.14 2uvm h THR 101 Cb 1.07 2.06 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 2uvm h THR 101 CO 0.07 0.63 0.07 0.00 0.37 0.00 0.00 175.52 176.67 2uvm h ALA 102 N 0.52 0.53 0.00 6.16 0.00 -1.19 -1.82 119.26 123.46 2uvm h ALA 102 Ca -0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2uvm h ALA 102 Cb 1.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2uvm h ALA 102 CO 0.16 0.23 -0.00 0.82 0.00 0.00 0.00 179.25 180.46 2uvm h ILE 103 N 0.51 1.06 -0.48 0.00 2.04 -1.19 -2.15 117.51 117.30 2uvm h ILE 103 Ca 0.12 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.83 2uvm h ILE 103 Cb 0.35 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 2uvm h ILE 103 CO 0.01 0.05 0.26 -0.61 0.00 0.00 0.00 178.15 177.86 2uvm h GLN 104 N -0.09 0.51 -0.94 2.37 5.75 -1.34 -0.97 115.11 120.40 2uvm h GLN 104 Ca -0.00 -0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.56 2uvm h GLN 104 Cb 0.08 -0.11 -0.07 0.00 1.07 0.00 0.00 27.48 28.44 2uvm h GLN 104 CO 0.00 0.34 0.58 1.15 -2.65 0.00 0.00 178.83 178.25 2uvm h THR 105 N 0.52 0.97 -0.32 2.39 2.02 -1.23 0.26 112.91 117.53 2uvm h THR 105 Ca 0.20 -0.34 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 2uvm h THR 105 Cb 0.06 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.37 2uvm h THR 105 CO -0.11 0.18 -0.14 0.58 0.37 0.00 0.00 175.52 176.40 2uvm h VAL 106 N 0.98 1.29 -0.51 3.16 2.07 -0.70 -0.31 116.25 122.22 2uvm h VAL 106 Ca 0.44 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 2uvm h VAL 106 Cb 0.34 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2uvm h VAL 106 CO -0.23 0.40 0.31 0.00 0.02 0.00 0.00 177.57 178.07 2uvm h ALA 107 N 0.77 0.65 -0.60 1.67 0.00 -0.30 -0.98 119.26 120.48 2uvm h ALA 107 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2uvm h ALA 107 Cb 0.66 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2uvm h ALA 107 CO 0.04 0.14 0.24 -0.44 0.00 0.00 0.00 179.25 179.24 2uvm h ASP 108 N 0.68 0.78 -0.35 0.00 3.32 -0.37 -2.11 116.42 118.37 2uvm h ASP 108 Ca 0.18 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 2uvm h ASP 108 Cb -0.01 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2uvm h ASP 108 CO -0.03 0.70 -0.11 1.23 -1.72 0.00 0.00 179.24 179.31 2uvm h GLY 109 N 0.96 0.85 0.91 2.75 0.00 -0.37 -1.47 103.07 106.70 2uvm h GLY 109 Ca 0.20 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 2uvm h GLY 109 CO -0.02 0.59 -0.05 1.41 0.00 0.00 0.00 176.54 178.47 2uvm h LEU 110 N 0.71 0.61 0.36 3.11 -0.00 -0.85 -1.21 115.31 118.04 2uvm h LEU 110 Ca 0.12 -0.34 -0.01 0.00 -0.00 0.00 0.00 57.88 57.65 2uvm h LEU 110 Cb 0.59 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 2uvm h LEU 110 CO 0.04 0.81 -0.27 0.11 -0.00 0.00 0.00 178.44 179.13 2uvm h LYS 111 N 0.40 -0.60 0.00 1.13 1.79 -1.25 -1.14 116.57 116.89 2uvm h LYS 111 Ca 0.09 0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2uvm h LYS 111 Cb 0.52 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2uvm h LYS 111 CO 0.03 -0.40 -0.00 1.57 -1.08 0.00 0.00 179.45 179.56 2uvm h LYS 112 N -0.62 0.00 0.00 3.15 5.09 -1.27 0.92 116.57 123.84 2uvm h LYS 112 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.70 2uvm h LYS 112 Cb 0.54 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.87 2uvm h LYS 112 CO 0.00 0.00 -0.05 0.37 -2.09 0.00 0.00 179.45 177.68 2uvm h GLN 113 N 0.00 0.00 0.00 0.07 4.15 0.07 -1.44 115.11 117.95 2uvm h GLN 113 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2uvm h GLN 113 Cb 0.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.74 2uvm h GLN 113 CO 0.00 0.05 0.00 0.39 -1.93 0.00 0.00 178.83 177.34 2uvm n GLU 114 N -3.13 0.07 0.00 1.69 1.02 0.32 -4.59 120.64 116.01 2uvm n GLU 114 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2uvm n GLU 114 Cb 0.43 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 2uvm n GLU 114 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2uvm n GLU 115 N -0.97 0.00 0.00 3.49 1.02 -0.55 -5.15 120.64 118.48 2uvm n GLU 115 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2uvm n GLU 115 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 2uvm n GLU 115 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46