#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3h s GLU 2 N 0.00 1.38 0.22 0.38 4.04 -1.26 -5.14 118.70 118.32 1u3h s GLU 2 Ca 0.00 -0.56 -0.19 0.00 0.04 0.00 0.00 54.97 54.25 1u3h s GLU 2 Cb 0.00 -1.30 0.03 0.00 0.02 0.00 0.00 34.13 32.88 1u3h s GLU 2 CO 0.00 0.31 0.59 0.00 -1.84 0.00 0.00 175.26 174.32 1u3h s ALA 3 N -0.25 -1.11 -0.33 -0.84 0.00 -1.26 -5.04 121.76 112.94 1u3h s ALA 3 Ca 0.03 -0.14 0.25 0.00 0.00 0.00 0.00 51.96 52.10 1u3h s ALA 3 Cb -0.07 0.87 0.54 0.00 0.00 0.00 0.00 23.12 24.46 1u3h s ALA 3 CO 0.00 -0.87 1.68 -0.44 0.00 0.00 0.00 175.76 176.13 1u3h h ASP 4 N 2.10 0.00 -4.82 0.00 3.32 -2.08 -3.45 116.42 111.49 1u3h h ASP 4 Ca -0.27 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.68 1u3h h ASP 4 Cb 1.27 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.61 1u3h h ASP 4 CO 0.33 0.01 -0.17 -1.00 -1.72 0.00 0.00 179.24 176.69 1u3h s HIS 5 N -3.30 -0.33 -0.06 4.55 3.76 -1.26 -5.08 115.29 113.57 1u3h s HIS 5 Ca 0.06 0.58 -0.02 0.00 -0.15 0.00 0.00 55.06 55.54 1u3h s HIS 5 Cb 0.06 0.17 0.03 0.00 1.11 0.00 0.00 32.58 33.95 1u3h s HIS 5 CO 0.65 -0.41 0.02 0.08 -0.85 0.00 0.00 174.74 174.23 1u3h s VAL 6 N -1.06 0.20 -0.15 -0.90 1.01 -1.26 -5.01 120.40 113.24 1u3h s VAL 6 Ca -0.11 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 1u3h s VAL 6 Cb -0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 1u3h s VAL 6 CO 0.05 0.23 -0.08 -0.83 0.00 0.00 0.00 175.10 174.46 1u3h s GLY 7 N 2.02 1.62 -0.63 4.51 0.00 -1.26 -0.75 107.32 112.83 1u3h s GLY 7 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1u3h s GLY 7 CO -0.04 -0.10 0.42 -0.56 0.00 0.00 0.00 173.10 172.81 1u3h s SER 8 N 0.41 4.95 -1.10 1.64 0.01 0.25 -5.01 113.70 114.86 1u3h s SER 8 Ca -0.07 -3.10 -0.15 0.00 1.31 0.00 0.00 55.95 53.94 1u3h s SER 8 Cb -0.15 -1.77 0.17 0.00 0.21 0.00 0.00 66.02 64.48 1u3h s SER 8 CO 0.04 -0.27 1.29 -0.31 0.41 0.00 0.00 173.24 174.39 1u3h s TYR 9 N -0.42 3.45 0.00 2.43 2.02 -1.26 -1.31 117.35 122.26 1u3h s TYR 9 Ca 0.19 -1.94 0.00 0.00 -0.37 0.00 0.00 57.07 54.95 1u3h s TYR 9 Cb -0.19 -4.25 0.00 0.00 -0.40 0.00 0.00 41.96 37.12 1u3h s TYR 9 CO -0.04 -1.37 0.00 0.41 -1.57 0.00 0.00 175.55 172.97 1u3h n GLY 9 N 4.43 1.00 3.70 0.71 0.00 -1.08 -5.03 105.19 108.91 1u3h n GLY 9 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 1u3h n GLY 9 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u3h s ILE 10 N -1.87 2.96 -0.06 -0.61 1.01 0.27 -4.83 121.20 118.06 1u3h s ILE 10 Ca 0.00 0.50 0.02 0.00 0.00 0.00 0.00 60.65 61.17 1u3h s ILE 10 Cb 0.00 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 1u3h s ILE 10 CO 0.00 0.01 -0.11 -0.69 0.00 0.00 0.00 174.94 174.15 1u3h s VAL 11 N 2.23 3.35 -0.15 2.92 1.01 -1.26 -1.79 120.40 126.71 1u3h s VAL 11 Ca 0.72 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1u3h s VAL 11 Cb -0.40 -2.34 0.05 0.00 0.00 0.00 0.00 36.38 33.69 1u3h s VAL 11 CO 0.32 0.59 0.06 -0.69 0.00 0.00 0.00 175.10 175.38 1u3h s VAL 12 N -0.74 0.10 -0.08 2.92 1.01 -0.66 -5.00 120.40 117.95 1u3h s VAL 12 Ca 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1u3h s VAL 12 Cb -0.11 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.67 1u3h s VAL 12 CO 0.01 -0.14 -0.13 -0.47 0.00 0.00 0.00 175.10 174.37 1u3h s TYR 13 N 2.06 1.60 0.06 5.22 6.14 -1.26 -1.44 117.35 129.73 1u3h s TYR 13 Ca 0.02 -0.64 0.00 0.00 0.64 0.00 0.00 57.07 57.09 1u3h s TYR 13 Cb -0.15 -1.17 -0.04 0.00 0.42 0.00 0.00 41.96 41.02 1u3h s TYR 13 CO -0.07 -0.33 -0.04 1.14 0.64 0.00 0.00 175.55 176.88 1u3h s GLN 14 N 0.76 0.65 0.05 4.97 -2.07 -0.38 -4.94 119.66 118.70 1u3h s GLN 14 Ca -0.12 -1.18 -0.04 0.00 -1.82 0.00 0.00 55.36 52.20 1u3h s GLN 14 Cb -0.16 0.04 -0.02 0.00 -1.09 0.00 0.00 33.01 31.78 1u3h s GLN 14 CO 0.03 -0.07 0.05 -1.54 -1.32 0.00 0.00 175.29 172.44 1u3h s SER 15 N -2.76 0.31 0.89 12.60 1.04 -1.26 -1.42 113.70 123.10 1u3h s SER 15 Ca 0.06 -0.75 -0.11 0.00 0.48 0.00 0.00 55.95 55.62 1u3h s SER 15 Cb 0.05 0.22 0.13 0.00 0.10 0.00 0.00 66.02 66.52 1u3h s SER 15 CO -0.07 -0.57 1.09 -2.16 0.98 0.00 0.00 173.24 172.51 1u3h s PRO 16 N -3.29 1.30 0.00 4.02 0.04 -1.26 -4.98 135.00 130.83 1u3h s PRO 16 Ca 0.01 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1u3h s PRO 16 Cb 0.03 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1u3h s PRO 16 CO -0.08 -2.25 0.00 0.41 0.04 0.00 0.00 177.00 175.12 1u3h n GLY 17 N -0.90 0.19 4.10 0.56 0.00 -1.26 -4.53 105.19 103.34 1u3h n GLY 17 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1u3h n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u3h n ASP 18 N 0.00 -2.60 -4.64 1.61 8.00 -1.14 -4.87 116.55 112.91 1u3h n ASP 18 Ca 0.00 -0.98 -0.43 0.00 0.71 0.00 0.00 54.79 54.10 1u3h n ASP 18 Cb 0.00 -3.01 -0.02 0.00 -0.02 0.00 0.00 41.12 38.07 1u3h n ASP 18 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1u3h s ILE 19 N -3.50 4.16 0.26 0.53 1.01 -0.51 -4.87 121.20 118.28 1u3h s ILE 19 Ca 0.50 1.36 0.07 0.00 0.00 0.00 0.00 60.65 62.58 1u3h s ILE 19 Cb -0.27 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 1u3h s ILE 19 CO 0.90 -0.30 -0.08 -0.83 0.00 0.00 0.00 174.94 174.63 1u3h s GLY 20 N 2.54 1.73 -0.16 6.18 0.00 -1.26 -1.25 107.32 115.10 1u3h s GLY 20 Ca 0.57 -1.84 -0.11 0.00 0.00 0.00 0.00 44.72 43.34 1u3h s GLY 20 CO 0.20 -1.82 0.40 1.62 0.00 0.00 0.00 173.10 173.50 1u3h s GLN 21 N -3.70 0.42 -0.12 2.90 0.74 -0.52 -5.00 119.66 114.37 1u3h s GLN 21 Ca 0.28 0.68 -0.00 0.00 0.05 0.00 0.00 55.36 56.36 1u3h s GLN 21 Cb 0.02 0.08 0.03 0.00 1.10 0.00 0.00 33.01 34.24 1u3h s GLN 21 CO 0.11 -0.11 -0.08 -0.47 -0.55 0.00 0.00 175.29 174.19 1u3h s TYR 22 N 0.88 1.52 0.12 1.67 5.04 -1.26 -1.65 117.35 123.67 1u3h s TYR 22 Ca -0.05 -0.79 0.00 0.00 -2.44 0.00 0.00 57.07 53.79 1u3h s TYR 22 Cb -0.06 -1.25 -0.04 0.00 0.35 0.00 0.00 41.96 40.96 1u3h s TYR 22 CO -0.07 -0.53 -0.01 0.95 -1.34 0.00 0.00 175.55 174.55 1u3h s THR 23 N 1.70 0.44 -0.10 4.34 -4.23 -0.74 -1.17 115.64 115.88 1u3h s THR 23 Ca 0.05 -1.92 0.03 0.00 -1.18 0.00 0.00 61.69 58.66 1u3h s THR 23 Cb -0.13 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.85 1u3h s THR 23 CO -0.08 -0.68 -0.17 -0.36 -0.54 0.00 0.00 174.62 172.79 1u3h s PHE 24 N -3.80 2.02 0.08 3.99 0.40 -0.75 -0.57 117.98 119.35 1u3h s PHE 24 Ca 0.18 -0.87 0.08 0.00 -0.60 0.00 0.00 56.93 55.72 1u3h s PHE 24 Cb 0.07 -1.42 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 1u3h s PHE 24 CO -0.02 -0.41 -0.21 -1.21 0.70 0.00 0.00 175.22 174.08 1u3h s GLU 25 N 0.71 1.23 -0.06 0.44 2.02 -0.43 -0.72 118.70 121.89 1u3h s GLU 25 Ca -0.12 -1.07 -0.02 0.00 0.02 0.00 0.00 54.97 53.78 1u3h s GLU 25 Cb -0.16 -1.43 0.03 0.00 0.10 0.00 0.00 34.13 32.67 1u3h s GLU 25 CO 0.03 0.35 0.05 0.12 0.02 0.00 0.00 175.26 175.82 1u3h s PHE 26 N -1.01 0.25 -1.43 1.61 5.36 -0.55 -0.58 117.98 121.63 1u3h s PHE 26 Ca 0.07 0.09 -0.09 0.00 -0.96 0.00 0.00 56.93 56.04 1u3h s PHE 26 Cb -0.09 -0.59 0.05 0.00 -0.34 0.00 0.00 43.02 42.05 1u3h s PHE 26 CO 0.03 -0.25 0.68 -0.25 -1.46 0.00 0.00 175.22 173.96 1u3h n ASP 27 N 5.25 -4.89 0.00 6.13 8.00 0.07 -1.89 116.55 129.22 1u3h n ASP 27 Ca -0.04 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.00 1u3h n ASP 27 Cb 0.50 -3.96 0.00 0.00 -0.02 0.00 0.00 41.12 37.64 1u3h n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u3h n GLY 28 N -1.45 2.03 3.88 0.44 0.00 -1.26 -5.03 105.19 103.80 1u3h n GLY 28 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1u3h n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u3h s ASP 29 N -3.43 6.12 -0.28 1.61 1.01 -0.79 -5.06 116.67 115.84 1u3h s ASP 29 Ca 0.00 0.17 -0.27 0.00 0.71 0.00 0.00 52.55 53.16 1u3h s ASP 29 Cb 0.00 -1.81 0.01 0.00 1.01 0.00 0.00 42.92 42.12 1u3h s ASP 29 CO 0.00 0.15 0.95 -0.70 0.21 0.00 0.00 175.17 175.79 1u3h s GLU 30 N -2.60 4.10 -0.05 8.23 2.12 -1.26 -1.48 118.70 127.77 1u3h s GLU 30 Ca 0.33 0.99 -0.24 0.00 0.36 0.00 0.00 54.97 56.42 1u3h s GLU 30 Cb -0.12 -3.70 -0.25 0.00 0.26 0.00 0.00 34.13 30.32 1u3h s GLU 30 CO 0.26 -0.72 1.00 -0.07 -0.54 0.00 0.00 175.26 175.19 1u3h h LEU 31 N 9.64 0.28 -7.32 2.70 3.38 -1.28 -3.41 115.31 119.29 1u3h h LEU 31 Ca -0.22 -0.82 0.31 0.00 0.09 0.00 0.00 57.88 57.24 1u3h h LEU 31 Cb 1.07 -0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.63 1u3h h LEU 31 CO 0.96 1.06 0.78 0.72 0.09 0.00 0.00 178.44 182.05 1u3h s PHE 32 N -2.96 -0.05 0.06 1.13 -0.12 -1.21 -1.72 117.98 113.11 1u3h s PHE 32 Ca -0.15 -0.09 0.02 0.00 -0.05 0.00 0.00 56.93 56.66 1u3h s PHE 32 Cb 0.01 0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 1u3h s PHE 32 CO 0.76 -0.36 -0.08 1.52 -0.05 0.00 0.00 175.22 177.01 1u3h s TYR 33 N -2.52 0.77 -0.24 3.49 -0.85 -1.07 -1.81 117.35 115.13 1u3h s TYR 33 Ca 0.15 -0.58 -0.13 0.00 -0.52 0.00 0.00 57.07 55.98 1u3h s TYR 33 Cb 0.04 -0.45 -0.04 0.00 0.38 0.00 0.00 41.96 41.88 1u3h s TYR 33 CO -0.03 -0.08 0.27 0.08 -1.52 0.00 0.00 175.55 174.27 1u3h s VAL 34 N -1.85 5.27 -0.71 -3.49 1.01 -0.32 -1.15 120.40 119.16 1u3h s VAL 34 Ca -0.05 0.39 -0.27 0.00 0.00 0.00 0.00 61.98 62.06 1u3h s VAL 34 Cb -0.07 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.73 1u3h s VAL 34 CO -0.00 0.26 1.41 -0.62 0.00 0.00 0.00 175.10 176.15 1u3h s ASP 35 N 1.31 5.96 0.53 3.32 -1.08 0.47 -4.52 116.67 122.66 1u3h s ASP 35 Ca 0.12 -0.26 0.25 0.00 -0.52 0.00 0.00 52.55 52.14 1u3h s ASP 35 Cb -0.15 -2.55 1.47 0.00 -1.46 0.00 0.00 42.92 40.23 1u3h s ASP 35 CO 0.08 -1.95 2.12 -0.07 0.52 0.00 0.00 175.17 175.86 1u3h h LEU 36 N 13.78 0.00 0.05 -1.34 3.38 -1.95 1.02 115.31 130.24 1u3h h LEU 36 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1u3h h LEU 36 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1u3h h LEU 36 CO 1.26 0.09 -0.02 0.44 0.09 0.00 0.00 178.44 180.30 1u3h h ASP 37 N 0.00 -0.05 0.86 -0.43 3.32 -1.97 -3.29 116.42 114.85 1u3h h ASP 37 Ca -0.00 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1u3h h ASP 37 Cb 0.22 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1u3h h ASP 37 CO 0.01 0.66 0.00 0.29 -1.72 0.00 0.00 179.24 178.48 1u3h n LYS 38 N -4.76 0.08 -3.51 3.56 5.02 -1.16 -4.94 118.16 112.45 1u3h n LYS 38 Ca -0.06 0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 56.03 1u3h n LYS 38 Cb 0.27 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.82 1u3h n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1u3h n LYS 39 N -1.46 -1.45 -3.74 1.97 5.02 0.35 -5.01 118.16 113.83 1u3h n LYS 39 Ca 0.08 0.73 -0.13 0.00 -2.02 0.00 0.00 58.31 56.96 1u3h n LYS 39 Cb 0.30 -4.52 -0.10 0.00 -0.02 0.00 0.00 35.03 30.69 1u3h n LYS 39 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1u3h s GLU 40 N -5.11 0.50 -0.15 1.97 2.12 -0.84 -4.88 118.70 112.32 1u3h s GLU 40 Ca 0.35 0.38 -0.29 0.00 0.36 0.00 0.00 54.97 55.77 1u3h s GLU 40 Cb -0.11 0.24 -0.01 0.00 0.26 0.00 0.00 34.13 34.51 1u3h s GLU 40 CO 0.82 -0.08 1.07 0.99 -0.54 0.00 0.00 175.26 177.52 1u3h s THR 41 N -0.13 4.62 -0.44 -1.70 2.01 -1.26 -0.40 115.64 118.33 1u3h s THR 41 Ca -0.03 1.92 -0.06 0.00 0.31 0.00 0.00 61.69 63.84 1u3h s THR 41 Cb -0.03 -4.24 0.12 0.00 0.01 0.00 0.00 72.50 68.36 1u3h s THR 41 CO 0.01 -0.08 0.27 -0.63 -0.69 0.00 0.00 174.62 173.51 1u3h s ILE 42 N 2.62 3.71 0.30 1.82 -1.09 -0.30 -4.96 121.20 123.30 1u3h s ILE 42 Ca 0.49 -1.97 -0.28 0.00 -2.23 0.00 0.00 60.65 56.66 1u3h s ILE 42 Cb -0.18 -3.49 -0.09 0.00 -1.58 0.00 0.00 42.46 37.11 1u3h s ILE 42 CO 0.14 -0.74 1.02 0.26 -1.23 0.00 0.00 174.94 174.39 1u3h s TRP 43 N 1.20 3.64 -0.04 3.97 0.52 -1.26 -2.60 118.94 124.37 1u3h s TRP 43 Ca 0.07 1.76 -0.23 0.00 0.02 0.00 0.00 56.10 57.73 1u3h s TRP 43 Cb -0.24 -3.10 -0.25 0.00 -1.15 0.00 0.00 33.47 28.73 1u3h s TRP 43 CO -0.03 -0.16 1.02 1.98 0.02 0.00 0.00 176.95 179.78 1u3h h MET 44 N 3.48 0.25 -4.42 4.98 1.85 -1.56 -3.40 114.93 116.11 1u3h h MET 44 Ca -0.47 -0.29 -0.73 0.00 -0.61 0.00 0.00 59.70 57.60 1u3h h MET 44 Cb 1.21 0.09 -0.22 0.00 0.43 0.00 0.00 31.60 33.11 1u3h h MET 44 CO 0.66 1.02 -0.39 -0.51 -0.40 0.00 0.00 176.91 177.29 1u3h s LEU 45 N -8.36 5.30 0.26 3.39 1.43 -1.26 -4.96 118.68 114.48 1u3h s LEU 45 Ca -0.15 -1.09 -0.02 0.00 -1.03 0.00 0.00 54.13 51.84 1u3h s LEU 45 Cb 0.01 -2.16 0.44 0.00 0.03 0.00 0.00 46.19 44.52 1u3h s LEU 45 CO 0.77 -0.53 1.83 -0.65 0.23 0.00 0.00 176.35 178.01 1u3h h PRO 46 N 8.67 0.90 -0.66 1.29 0.11 -1.98 -0.09 132.00 140.24 1u3h h PRO 46 Ca -0.27 -0.05 0.19 0.00 0.11 0.00 0.00 66.00 65.97 1u3h h PRO 46 Cb 1.11 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 1u3h h PRO 46 CO 0.79 0.60 0.47 1.05 -0.21 0.00 0.00 178.00 180.70 1u3h h GLU 47 N 0.93 0.01 -0.50 1.05 9.09 -1.98 0.25 114.58 123.44 1u3h h GLU 47 Ca 0.43 -0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.71 1u3h h GLU 47 Cb 0.36 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.44 1u3h h GLU 47 CO -0.24 0.01 -0.20 0.74 0.05 0.00 0.00 179.01 179.37 1u3h h PHE 48 N 0.01 1.15 0.00 2.06 -1.00 -1.41 -2.56 116.94 115.20 1u3h h PHE 48 Ca 0.31 -0.27 -0.00 0.00 2.81 0.00 0.00 57.97 60.82 1u3h h PHE 48 Cb 1.24 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 40.53 1u3h h PHE 48 CO -0.00 1.10 -0.01 0.00 -1.61 0.00 0.00 178.31 177.80 1u3h h ALA 49 N 0.89 1.16 0.00 2.45 0.00 -0.48 -0.02 119.26 123.25 1u3h h ALA 49 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1u3h h ALA 49 Cb 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1u3h h ALA 49 CO 0.06 0.01 0.00 1.96 0.00 0.00 0.00 179.25 181.28 1u3h h GLN 50 N 0.00 0.00 0.00 0.00 1.08 -1.22 -3.35 115.11 111.62 1u3h h GLN 50 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1u3h h GLN 50 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1u3h h GLN 50 CO 0.00 0.00 -0.89 1.28 -0.95 0.00 0.00 178.83 178.27 1u3h n LEU 51 N -2.93 0.18 -4.04 1.46 4.32 -0.12 -5.07 117.00 110.81 1u3h n LEU 51 Ca 0.04 -0.24 -0.10 0.00 -0.02 0.00 0.00 56.01 55.69 1u3h n LEU 51 Cb 0.47 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.21 1u3h n LEU 51 CO 0.32 0.05 0.07 0.00 -1.22 0.00 0.00 177.39 176.61 1u3h s ARG 52 N -2.17 1.45 0.31 3.23 1.70 -0.62 -5.13 118.95 117.72 1u3h s ARG 52 Ca -0.00 -1.33 -0.14 0.00 -0.47 0.00 0.00 55.73 53.79 1u3h s ARG 52 Cb 0.06 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.88 1u3h s ARG 52 CO 0.33 -0.57 0.63 -1.54 -1.08 0.00 0.00 175.30 173.07 1u3h s SER 53 N -3.05 0.09 -0.26 -2.89 1.04 -1.26 -4.46 113.70 102.92 1u3h s SER 53 Ca 0.26 -1.02 -0.13 0.00 0.48 0.00 0.00 55.95 55.54 1u3h s SER 53 Cb 0.01 0.71 0.09 0.00 0.10 0.00 0.00 66.02 66.93 1u3h s SER 53 CO 0.09 -1.38 0.60 0.12 0.98 0.00 0.00 173.24 173.65 1u3h s PHE 54 N -3.31 -1.01 -0.10 5.02 5.36 -1.26 -5.13 117.98 117.55 1u3h s PHE 54 Ca 0.19 1.96 -0.29 0.00 -0.96 0.00 0.00 56.93 57.83 1u3h s PHE 54 Cb -0.03 0.57 -0.04 0.00 -0.34 0.00 0.00 43.02 43.18 1u3h s PHE 54 CO 0.11 -0.52 1.47 0.34 -1.46 0.00 0.00 175.22 175.17 1u3h s ASP 55 N 1.92 6.80 0.57 6.13 -1.08 -1.26 -4.69 116.67 125.05 1u3h s ASP 55 Ca -0.08 1.99 0.26 0.00 -0.52 0.00 0.00 52.55 54.19 1u3h s ASP 55 Cb -0.08 -2.54 1.64 0.00 -1.46 0.00 0.00 42.92 40.48 1u3h s ASP 55 CO -0.18 -0.85 2.19 -0.65 0.52 0.00 0.00 175.17 176.20 1u3h h PRO 56 N 8.91 0.00 -0.34 4.34 0.11 -1.93 0.06 132.00 143.15 1u3h h PRO 56 Ca -0.33 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.81 1u3h h PRO 56 Cb 1.14 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1u3h h PRO 56 CO 0.96 0.00 0.23 0.37 -0.21 0.00 0.00 178.00 179.35 1u3h h GLN 57 N 0.00 0.29 -0.69 1.05 5.75 -1.92 0.15 115.11 119.74 1u3h h GLN 57 Ca 0.03 -0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.59 1u3h h GLN 57 Cb 0.14 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.56 1u3h h GLN 57 CO -0.00 0.19 0.36 0.78 -2.65 0.00 0.00 178.83 177.52 1u3h h GLY 58 N 0.30 1.02 0.95 2.39 0.00 -1.36 0.13 103.07 106.50 1u3h h GLY 58 Ca 0.14 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 1u3h h GLY 58 CO -0.03 0.11 -0.17 -1.33 0.00 0.00 0.00 176.54 175.11 1u3h h GLY 59 N 0.64 0.76 1.08 4.60 0.00 -0.88 -2.96 103.07 106.31 1u3h h GLY 59 Ca 0.33 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1u3h h GLY 59 CO -0.23 0.63 0.41 1.41 0.00 0.00 0.00 176.54 178.76 1u3h h LEU 60 N 0.46 1.08 0.63 3.11 3.38 -0.43 -0.92 115.31 122.63 1u3h h LEU 60 Ca 0.07 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1u3h h LEU 60 Cb 0.71 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.19 1u3h h LEU 60 CO 0.05 0.90 -0.30 -0.61 0.09 0.00 0.00 178.44 178.56 1u3h h GLN 61 N 1.18 -0.82 0.00 1.13 5.75 -0.75 -2.00 115.11 119.60 1u3h h GLN 61 Ca 0.29 0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.83 1u3h h GLN 61 Cb 0.10 0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 1u3h h GLN 61 CO -0.04 -0.55 -0.06 -0.91 -2.65 0.00 0.00 178.83 174.63 1u3h h ASN 62 N -0.85 0.00 -0.27 -0.69 2.35 -1.44 -1.66 115.58 113.03 1u3h h ASN 62 Ca -0.09 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.50 1u3h h ASN 62 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 1u3h h ASN 62 CO 0.14 0.06 -0.47 0.40 -1.65 0.00 0.00 177.43 175.91 1u3h h ILE 63 N 0.00 1.29 0.00 2.81 1.08 -0.92 -2.11 117.51 119.66 1u3h h ILE 63 Ca -0.00 -1.67 -0.03 0.00 -0.39 0.00 0.00 64.86 62.77 1u3h h ILE 63 Cb 0.32 1.69 -0.00 0.00 -3.07 0.00 0.00 36.82 35.75 1u3h h ILE 63 CO 0.01 0.54 -0.14 0.00 -0.69 0.00 0.00 178.15 177.86 1u3h h ALA 64 N 0.66 1.73 -0.02 1.87 0.00 -0.56 -0.70 119.26 122.24 1u3h h ALA 64 Ca 0.02 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1u3h h ALA 64 Cb 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1u3h h ALA 64 CO 0.11 0.18 -0.76 1.15 0.00 0.00 0.00 179.25 179.92 1u3h h THR 65 N 0.00 1.46 -0.50 0.00 2.02 -1.21 -1.81 112.91 112.87 1u3h h THR 65 Ca -0.00 -2.39 -0.12 0.00 0.77 0.00 0.00 66.41 64.67 1u3h h THR 65 Cb 0.26 2.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 1u3h h THR 65 CO 0.02 0.70 -0.16 1.23 0.37 0.00 0.00 175.52 177.68 1u3h h GLY 66 N 1.78 1.06 1.53 2.16 0.00 -0.49 0.34 103.07 109.45 1u3h h GLY 66 Ca -0.03 -0.89 -0.04 0.00 0.00 0.00 0.00 47.33 46.38 1u3h h GLY 66 CO 0.11 0.81 0.08 1.70 0.00 0.00 0.00 176.54 179.25 1u3h h LYS 67 N 0.86 0.59 0.01 4.80 3.64 -1.05 0.62 116.57 126.04 1u3h h LYS 67 Ca 0.12 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1u3h h LYS 67 Cb 0.72 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1u3h h LYS 67 CO 0.06 0.56 -0.01 1.25 -2.27 0.00 0.00 179.45 179.04 1u3h h HIS 68 N 0.58 -0.02 -0.60 1.91 2.76 -0.55 -3.31 115.15 115.92 1u3h h HIS 68 Ca 0.13 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.22 1u3h h HIS 68 Cb 0.25 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 1u3h h HIS 68 CO 0.01 0.60 0.05 -0.91 -1.30 0.00 0.00 177.93 176.38 1u3h h ASN 69 N -0.66 1.00 -3.84 3.26 2.35 -0.25 -3.17 115.58 114.27 1u3h h ASN 69 Ca -0.00 -0.29 -0.52 0.00 -0.55 0.00 0.00 56.30 54.94 1u3h h ASN 69 Cb 0.63 -0.27 0.05 0.00 0.05 0.00 0.00 38.32 38.78 1u3h h ASN 69 CO 0.00 1.04 0.60 -0.22 -1.65 0.00 0.00 177.43 177.20 1u3h s LEU 70 N -9.41 4.45 0.00 1.61 2.96 0.20 -0.53 118.68 117.97 1u3h s LEU 70 Ca -0.12 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.38 1u3h s LEU 70 Cb 0.13 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 43.18 1u3h s LEU 70 CO 0.84 -0.45 0.00 0.61 -1.32 0.00 0.00 176.35 176.04 1u3h n GLY 71 N 0.95 2.91 0.13 7.98 0.00 -1.26 -4.67 105.19 111.23 1u3h n GLY 71 Ca -0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 1u3h n GLY 71 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u3h h VAL 72 N 0.00 1.36 -0.00 1.61 2.07 -1.24 -2.21 116.25 117.84 1u3h h VAL 72 Ca 0.00 -1.34 -0.17 0.00 0.82 0.00 0.00 66.70 66.01 1u3h h VAL 72 Cb 0.00 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1u3h h VAL 72 CO 0.00 0.39 -0.79 -0.07 0.02 0.00 0.00 177.57 177.12 1u3h h LEU 73 N -0.07 0.05 -0.84 2.57 -0.00 -1.08 -1.38 115.31 114.56 1u3h h LEU 73 Ca 0.02 -0.04 -0.07 0.00 -0.00 0.00 0.00 57.88 57.80 1u3h h LEU 73 Cb 0.69 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.31 1u3h h LEU 73 CO 0.04 0.81 0.12 0.74 -0.00 0.00 0.00 178.44 180.15 1u3h h THR 74 N 0.02 1.25 0.03 0.22 2.02 -1.76 -0.01 112.91 114.68 1u3h h THR 74 Ca -0.01 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 1u3h h THR 74 Cb 1.38 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1u3h h THR 74 CO 0.11 0.35 -0.01 0.50 0.37 0.00 0.00 175.52 176.84 1u3h h LYS 75 N 0.94 -0.03 -0.58 6.66 3.64 -1.36 0.29 116.57 126.12 1u3h h LYS 75 Ca 0.19 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.75 1u3h h LYS 75 Cb 0.37 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1u3h h LYS 75 CO 0.01 0.68 0.42 -0.09 -2.27 0.00 0.00 179.45 178.20 1u3h h ARG 76 N -0.85 0.00 -0.09 1.90 2.43 -1.19 0.83 114.38 117.41 1u3h h ARG 76 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1u3h h ARG 76 Cb 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1u3h h ARG 76 CO 0.01 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.34 1u3h n SER 77 N -4.35 0.57 -2.85 -3.80 3.41 -0.03 -4.82 113.62 101.75 1u3h n SER 77 Ca 0.11 -1.83 -0.22 0.00 -0.26 0.00 0.00 58.87 56.68 1u3h n SER 77 Cb 0.66 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.57 1u3h n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1u3h n ASN 78 N -0.27 -5.80 -2.90 4.04 3.02 0.29 -2.85 115.26 110.79 1u3h n ASN 78 Ca 0.08 -0.20 -0.16 0.00 -0.03 0.00 0.00 54.58 54.27 1u3h n ASN 78 Cb 0.11 -4.74 0.07 0.00 -0.61 0.00 0.00 39.78 34.61 1u3h n ASN 78 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1u3h n SER 79 N -2.34 -3.66 -4.68 6.41 2.88 0.10 -4.99 113.62 107.35 1u3h n SER 79 Ca -0.14 -0.45 -0.43 0.00 -1.33 0.00 0.00 58.87 56.52 1u3h n SER 79 Cb 0.63 -4.07 -0.02 0.00 -0.75 0.00 0.00 64.21 59.99 1u3h n SER 79 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1u3h s THR 80 N -3.27 4.44 0.77 2.46 2.01 -1.13 -5.02 115.64 115.90 1u3h s THR 80 Ca 0.22 1.74 -0.11 0.00 0.31 0.00 0.00 61.69 63.86 1u3h s THR 80 Cb -0.10 -4.12 0.06 0.00 0.01 0.00 0.00 72.50 68.35 1u3h s THR 80 CO 0.57 -0.04 1.13 -2.16 -0.69 0.00 0.00 174.62 173.43 1u3h s PRO 81 N 2.48 2.20 0.32 4.92 0.04 -1.26 -5.03 135.00 138.67 1u3h s PRO 81 Ca 0.52 0.12 -0.26 0.00 0.04 0.00 0.00 61.00 61.42 1u3h s PRO 81 Cb -0.21 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 1u3h s PRO 81 CO 0.18 -1.41 0.95 0.00 0.04 0.00 0.00 177.00 176.76 1u3h s ALA 82 N -3.47 3.21 -0.47 8.56 0.00 -1.26 -5.02 121.76 123.30 1u3h s ALA 82 Ca 0.61 0.53 -0.20 0.00 0.00 0.00 0.00 51.96 52.89 1u3h s ALA 82 Cb -0.11 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 19.86 1u3h s ALA 82 CO 0.49 0.17 0.67 0.99 0.00 0.00 0.00 175.76 178.07 1u3h s THR 83 N -1.62 4.80 0.43 0.00 2.01 -1.26 -4.99 115.64 115.01 1u3h s THR 83 Ca 0.50 -0.09 -0.24 0.00 0.31 0.00 0.00 61.69 62.17 1u3h s THR 83 Cb -0.19 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 67.95 1u3h s THR 83 CO 0.24 -0.73 1.05 0.59 -0.69 0.00 0.00 174.62 175.08 1u3h n ASN 84 N 6.36 1.44 -4.61 3.53 3.02 -1.26 -4.67 115.26 119.07 1u3h n ASN 84 Ca -0.03 1.03 -0.28 0.00 -0.03 0.00 0.00 54.58 55.27 1u3h n ASN 84 Cb 0.47 -1.38 -0.10 0.00 -0.61 0.00 0.00 39.78 38.16 1u3h n ASN 84 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1u3h s GLU 85 N -2.10 1.98 -0.20 3.52 0.41 0.37 -4.91 118.70 117.76 1u3h s GLU 85 Ca 0.64 -2.16 -0.04 0.00 -0.41 0.00 0.00 54.97 53.00 1u3h s GLU 85 Cb -0.54 -1.48 -0.02 0.00 -1.78 0.00 0.00 34.13 30.31 1u3h s GLU 85 CO 0.56 -0.15 -0.04 0.00 -0.49 0.00 0.00 175.26 175.14 1u3h s ALA 86 N -2.84 2.88 0.70 5.21 0.00 -1.26 -3.59 121.76 122.87 1u3h s ALA 86 Ca 0.28 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 1u3h s ALA 86 Cb 0.08 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.54 1u3h s ALA 86 CO 0.14 -0.22 1.07 -2.14 0.00 0.00 0.00 175.76 174.61 1u3h s PRO 87 N 1.12 2.76 -0.08 0.00 0.02 -1.24 -4.84 135.00 132.75 1u3h s PRO 87 Ca 0.02 1.08 0.01 0.00 0.02 0.00 0.00 61.00 62.14 1u3h s PRO 87 Cb -0.15 -1.96 0.02 0.00 0.02 0.00 0.00 34.50 32.43 1u3h s PRO 87 CO 0.00 -1.24 -0.11 -1.14 -0.33 0.00 0.00 177.00 174.18 1u3h s GLN 88 N -4.81 1.60 0.07 5.54 0.74 -0.72 -4.97 119.66 117.11 1u3h s GLN 88 Ca 0.60 -0.35 0.02 0.00 0.05 0.00 0.00 55.36 55.68 1u3h s GLN 88 Cb -0.16 -1.42 -0.04 0.00 1.10 0.00 0.00 33.01 32.49 1u3h s GLN 88 CO 0.52 -0.06 0.08 0.00 -0.55 0.00 0.00 175.29 175.28 1u3h s ALA 89 N 0.95 3.56 -0.03 1.58 0.00 -1.26 -1.25 121.76 125.31 1u3h s ALA 89 Ca -0.09 -0.99 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 1u3h s ALA 89 Cb -0.15 -1.45 0.03 0.00 0.00 0.00 0.00 23.12 21.55 1u3h s ALA 89 CO 0.00 0.74 0.03 0.99 0.00 0.00 0.00 175.76 177.52 1u3h s THR 90 N -1.35 0.03 -0.15 0.00 2.01 -0.04 -4.98 115.64 111.16 1u3h s THR 90 Ca 0.28 0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.48 1u3h s THR 90 Cb -0.12 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.18 1u3h s THR 90 CO 0.21 0.14 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.52 1u3h s VAL 91 N 1.39 3.64 0.00 3.82 1.01 -1.26 -0.94 120.40 128.06 1u3h s VAL 91 Ca -0.05 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 1u3h s VAL 91 Cb -0.13 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.71 1u3h s VAL 91 CO -0.03 0.51 0.39 0.72 0.00 0.00 0.00 175.10 176.69 1u3h s PHE 92 N 0.33 -0.27 0.24 5.22 -0.71 -0.54 -4.97 117.98 117.27 1u3h s PHE 92 Ca -0.06 0.36 -0.25 0.00 -1.04 0.00 0.00 56.93 55.93 1u3h s PHE 92 Cb -0.15 0.18 -0.09 0.00 -1.21 0.00 0.00 43.02 41.75 1u3h s PHE 92 CO 0.04 -0.49 0.85 -1.25 -1.34 0.00 0.00 175.22 173.03 1u3h s PRO 93 N -1.75 4.58 0.26 1.99 0.04 -1.26 -0.50 135.00 138.36 1u3h s PRO 93 Ca -0.10 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.13 1u3h s PRO 93 Cb -0.03 -3.06 0.33 0.00 0.04 0.00 0.00 34.50 31.77 1u3h s PRO 93 CO 0.03 0.45 1.79 -0.22 0.04 0.00 0.00 177.00 179.08 1u3h h LYS 94 N 3.79 0.90 -5.33 4.56 3.64 -1.27 -3.45 116.57 119.41 1u3h h LYS 94 Ca -0.47 -0.20 -0.46 0.00 -1.27 0.00 0.00 60.65 58.26 1u3h h LYS 94 Cb 1.20 -0.13 -0.14 0.00 -0.41 0.00 0.00 32.23 32.75 1u3h h LYS 94 CO 0.66 0.81 -0.66 -1.12 -2.27 0.00 0.00 179.45 176.88 1u3h s SER 95 N -6.56 2.43 0.39 4.20 0.01 -1.26 -5.04 113.70 107.87 1u3h s SER 95 Ca -0.10 -1.23 -0.27 0.00 1.31 0.00 0.00 55.95 55.66 1u3h s SER 95 Cb 0.15 -0.10 -0.11 0.00 0.21 0.00 0.00 66.02 66.17 1u3h s SER 95 CO 0.81 -0.44 1.34 -2.65 0.41 0.00 0.00 173.24 172.71 1u3h n PRO 96 N -0.56 2.20 -2.86 12.44 -0.02 -1.26 -4.90 135.00 140.05 1u3h n PRO 96 Ca -0.05 0.78 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 1u3h n PRO 96 Cb 0.64 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 1u3h n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1u3h s VAL 97 N -1.14 4.92 -0.06 -1.45 1.01 -1.26 -5.03 120.40 117.39 1u3h s VAL 97 Ca 0.57 1.77 -0.02 0.00 0.00 0.00 0.00 61.98 64.30 1u3h s VAL 97 Cb -0.51 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 31.71 1u3h s VAL 97 CO 0.61 0.15 0.12 -0.76 0.00 0.00 0.00 175.10 175.22 1u3h s LEU 98 N 1.23 0.47 0.37 3.92 1.43 -1.26 -5.10 118.68 119.73 1u3h s LEU 98 Ca 0.44 0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 53.51 1u3h s LEU 98 Cb -0.19 0.22 -0.11 0.00 0.03 0.00 0.00 46.19 46.13 1u3h s LEU 98 CO 0.21 -0.19 1.37 0.18 0.23 0.00 0.00 176.35 178.16 1u3h n LEU 99 N 4.66 4.13 0.00 1.79 4.32 -1.26 -1.72 117.00 128.92 1u3h n LEU 99 Ca -0.18 1.21 0.00 0.00 -0.02 0.00 0.00 56.01 57.02 1u3h n LEU 99 Cb 0.51 -1.55 0.00 0.00 -1.62 0.00 0.00 43.42 40.76 1u3h n LEU 99 CO 0.13 -0.22 0.00 0.61 -1.22 0.00 0.00 177.39 176.69 1u3h n GLY 100 N 0.63 1.78 3.19 -0.72 0.00 -1.25 -5.02 105.19 103.80 1u3h n GLY 100 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1u3h n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u3h s GLN 101 N -0.40 2.79 0.47 1.61 -0.21 -0.70 -5.02 119.66 118.21 1u3h s GLN 101 Ca 0.00 -1.01 -0.21 0.00 0.02 0.00 0.00 55.36 54.16 1u3h s GLN 101 Cb 0.00 -2.98 -0.10 0.00 1.00 0.00 0.00 33.01 30.92 1u3h s GLN 101 CO 0.00 -0.42 0.67 -2.30 -2.12 0.00 0.00 175.29 171.12 1u3h n PRO 102 N 4.66 0.74 -1.66 2.91 -0.02 -1.26 -4.35 135.00 136.02 1u3h n PRO 102 Ca -0.16 0.27 -0.02 0.00 -2.02 0.00 0.00 63.50 61.58 1u3h n PRO 102 Cb 0.47 -1.72 -0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1u3h n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1u3h n ASN 103 N 0.75 -0.22 -3.76 2.55 2.85 -0.07 -5.00 115.26 112.37 1u3h n ASN 103 Ca 0.11 -1.22 -0.15 0.00 -0.11 0.00 0.00 54.58 53.21 1u3h n ASN 103 Cb 0.42 0.38 -0.16 0.00 1.24 0.00 0.00 39.78 41.66 1u3h n ASN 103 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1u3h s THR 104 N -2.64 -0.07 -0.04 -0.44 2.01 -1.26 -1.60 115.64 111.59 1u3h s THR 104 Ca 0.03 0.24 -0.15 0.00 0.31 0.00 0.00 61.69 62.12 1u3h s THR 104 Cb -0.00 -0.11 -0.05 0.00 0.01 0.00 0.00 72.50 72.35 1u3h s THR 104 CO 0.02 0.10 0.40 -0.76 -0.69 0.00 0.00 174.62 173.69 1u3h s LEU 105 N 1.22 4.41 -0.08 4.42 1.43 0.67 -0.68 118.68 130.07 1u3h s LEU 105 Ca -0.07 0.88 0.03 0.00 -1.03 0.00 0.00 54.13 53.93 1u3h s LEU 105 Cb -0.13 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 1u3h s LEU 105 CO -0.03 0.24 -0.17 -0.63 0.23 0.00 0.00 176.35 175.98 1u3h s ILE 106 N -0.56 2.77 -0.26 -0.59 1.01 0.35 -0.30 121.20 123.62 1u3h s ILE 106 Ca 0.23 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1u3h s ILE 106 Cb -0.16 -2.09 0.05 0.00 0.01 0.00 0.00 42.46 40.28 1u3h s ILE 106 CO 0.12 0.57 -0.09 0.00 0.00 0.00 0.00 174.94 175.53 1u3h s PHE 108 N 1.15 3.22 -0.26 0.00 5.36 -0.11 -1.06 117.98 126.27 1u3h s PHE 108 Ca -0.07 0.07 -0.01 0.00 -0.96 0.00 0.00 56.93 55.96 1u3h s PHE 108 Cb -0.20 -2.52 0.04 0.00 -0.34 0.00 0.00 43.02 40.00 1u3h s PHE 108 CO -0.04 -0.29 -0.06 0.08 -1.46 0.00 0.00 175.22 173.44 1u3h s VAL 109 N 1.89 2.73 0.50 3.12 1.01 -0.62 -0.86 120.40 128.17 1u3h s VAL 109 Ca 0.10 -1.23 0.08 0.00 0.00 0.00 0.00 61.98 60.92 1u3h s VAL 109 Cb -0.16 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.78 1u3h s VAL 109 CO 0.11 0.09 0.52 -0.62 0.00 0.00 0.00 175.10 175.20 1u3h s ASP 110 N 1.26 5.02 -1.42 3.32 -1.08 -0.38 -1.39 116.67 122.00 1u3h s ASP 110 Ca -0.03 -0.88 -0.05 0.00 -0.52 0.00 0.00 52.55 51.08 1u3h s ASP 110 Cb -0.18 -0.06 0.03 0.00 -1.46 0.00 0.00 42.92 41.25 1u3h s ASP 110 CO -0.04 -0.99 0.69 -3.20 0.52 0.00 0.00 175.17 172.16 1u3h n ASN 111 N -1.84 -1.94 -4.64 -0.34 5.15 -1.13 -1.76 115.26 108.76 1u3h n ASN 111 Ca 0.06 -0.88 -0.40 0.00 -0.60 0.00 0.00 54.58 52.76 1u3h n ASN 111 Cb 0.62 -3.62 -0.07 0.00 -0.53 0.00 0.00 39.78 36.18 1u3h n ASN 111 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1u3h s ILE 112 N -3.64 5.06 -0.30 -1.44 1.01 0.14 -3.63 121.20 118.40 1u3h s ILE 112 Ca 0.22 1.01 -0.15 0.00 0.00 0.00 0.00 60.65 61.73 1u3h s ILE 112 Cb -0.11 -3.87 0.16 0.00 0.01 0.00 0.00 42.46 38.64 1u3h s ILE 112 CO 0.85 0.11 0.94 0.12 0.00 0.00 0.00 174.94 176.96 1u3h s PHE 113 N 2.04 -0.74 1.04 3.97 5.36 -1.26 -0.94 117.98 127.45 1u3h s PHE 113 Ca 0.24 1.31 -0.16 0.00 -0.96 0.00 0.00 56.93 57.37 1u3h s PHE 113 Cb -0.16 0.44 0.21 0.00 -0.34 0.00 0.00 43.02 43.18 1u3h s PHE 113 CO 0.09 -0.37 1.17 -1.25 -1.46 0.00 0.00 175.22 173.40 1u3h s PRO 114 N 2.24 0.04 0.00 10.12 0.04 -1.26 -0.48 135.00 145.70 1u3h s PRO 114 Ca -0.04 0.01 -0.01 0.00 0.04 0.00 0.00 61.00 60.99 1u3h s PRO 114 Cb -0.06 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 1u3h s PRO 114 CO -0.17 -2.88 0.79 -2.30 0.04 0.00 0.00 177.00 172.48 1u3h n PRO 115 N -4.19 0.29 -4.17 0.56 -0.02 -1.26 -4.79 135.00 121.41 1u3h n PRO 115 Ca 0.11 -0.11 -0.19 0.00 -2.02 0.00 0.00 63.50 61.29 1u3h n PRO 115 Cb 0.59 -1.52 -0.16 0.00 -0.02 0.00 0.00 33.50 32.39 1u3h n PRO 115 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1u3h s VAL 116 N 2.26 0.52 -0.13 -1.45 1.01 -1.26 -5.09 120.40 116.24 1u3h s VAL 116 Ca 0.07 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1u3h s VAL 116 Cb 0.04 -0.53 0.13 0.00 0.00 0.00 0.00 36.38 36.01 1u3h s VAL 116 CO 0.00 0.21 1.03 -0.51 0.00 0.00 0.00 175.10 175.83 1u3h s ILE 117 N 0.74 0.00 -0.20 2.22 2.07 -1.26 -4.75 121.20 120.03 1u3h s ILE 117 Ca -0.10 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.16 1u3h s ILE 117 Cb -0.13 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.49 1u3h s ILE 117 CO 0.00 0.00 -0.16 0.20 -1.91 0.00 0.00 174.94 173.07 1u3h s ASN 118 N -1.64 3.40 -0.15 4.50 0.02 -0.95 -5.02 114.94 115.10 1u3h s ASN 118 Ca 0.03 -0.82 0.01 0.00 -1.02 0.00 0.00 52.86 51.06 1u3h s ASN 118 Cb -0.01 -1.43 0.00 0.00 0.02 0.00 0.00 41.25 39.84 1u3h s ASN 118 CO -0.03 -0.07 -0.18 -0.63 0.02 0.00 0.00 177.10 176.21 1u3h s ILE 119 N 1.28 2.41 0.22 0.60 1.01 -1.26 -1.47 121.20 124.00 1u3h s ILE 119 Ca 0.01 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1u3h s ILE 119 Cb -0.15 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 1u3h s ILE 119 CO -0.10 0.53 0.08 0.42 0.00 0.00 0.00 174.94 175.87 1u3h s THR 120 N 0.80 0.46 0.12 2.92 -4.23 -0.19 -4.98 115.64 110.53 1u3h s THR 120 Ca -0.06 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 58.55 1u3h s THR 120 Cb -0.15 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 1u3h s THR 120 CO -0.00 -0.12 -0.21 0.26 -0.54 0.00 0.00 174.62 174.00 1u3h s TRP 121 N -3.82 2.46 -0.04 3.99 0.52 -1.26 -0.06 118.94 120.72 1u3h s TRP 121 Ca 0.34 -0.30 0.04 0.00 0.02 0.00 0.00 56.10 56.20 1u3h s TRP 121 Cb 0.07 -1.32 0.00 0.00 -1.15 0.00 0.00 33.47 31.07 1u3h s TRP 121 CO 0.11 0.36 -0.14 -0.51 0.02 0.00 0.00 176.95 176.78 1u3h s LEU 122 N -2.06 1.85 -0.23 2.99 1.43 0.53 -1.45 118.68 121.74 1u3h s LEU 122 Ca 0.16 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1u3h s LEU 122 Cb -0.10 -0.85 0.04 0.00 0.03 0.00 0.00 46.19 45.31 1u3h s LEU 122 CO 0.08 0.11 -0.14 -0.60 0.23 0.00 0.00 176.35 176.03 1u3h s ARG 123 N 0.16 2.57 -1.35 1.70 3.52 0.10 -1.14 118.95 124.52 1u3h s ARG 123 Ca -0.05 -1.12 -0.04 0.00 -0.13 0.00 0.00 55.73 54.38 1u3h s ARG 123 Cb -0.11 -2.76 0.02 0.00 -1.56 0.00 0.00 34.95 30.54 1u3h s ARG 123 CO 0.02 -0.42 0.89 0.09 -0.81 0.00 0.00 175.30 175.07 1u3h n ASN 124 N 4.52 -2.89 0.00 -2.12 3.02 0.42 -1.79 115.26 116.41 1u3h n ASN 124 Ca -0.17 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1u3h n ASN 124 Cb 0.45 -4.36 0.00 0.00 -0.61 0.00 0.00 39.78 35.27 1u3h n ASN 124 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1u3h n SER 125 N -3.01 0.00 -4.74 6.41 7.64 -1.26 -4.99 113.62 113.66 1u3h n SER 125 Ca -0.18 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.40 1u3h n SER 125 Cb 0.63 -0.75 -0.07 0.00 -1.01 0.00 0.00 64.21 63.01 1u3h n SER 125 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1u3h s LYS 126 N -0.20 2.78 0.32 1.43 1.02 -0.74 -5.01 119.74 119.34 1u3h s LYS 126 Ca 0.00 -0.72 -0.29 0.00 0.02 0.00 0.00 55.97 54.98 1u3h s LYS 126 Cb 0.00 -2.67 -0.10 0.00 -0.52 0.00 0.00 37.83 34.53 1u3h s LYS 126 CO 0.00 0.56 1.39 0.45 -0.92 0.00 0.00 175.35 176.83 1u3h s SER 127 N -2.31 6.64 -0.14 2.83 0.15 -1.26 0.03 113.70 119.64 1u3h s SER 127 Ca 0.28 2.76 -0.04 0.00 0.70 0.00 0.00 55.95 59.65 1u3h s SER 127 Cb -0.12 -2.65 -0.03 0.00 -1.71 0.00 0.00 66.02 61.51 1u3h s SER 127 CO 0.20 -0.66 -0.01 -0.69 1.20 0.00 0.00 173.24 173.27 1u3h s VAL 128 N -0.77 4.13 -0.27 4.45 1.01 -0.53 -4.81 120.40 123.61 1u3h s VAL 128 Ca 0.53 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 1u3h s VAL 128 Cb -0.42 -2.80 -0.13 0.00 0.00 0.00 0.00 36.38 33.03 1u3h s VAL 128 CO 0.52 0.52 -0.32 0.00 0.00 0.00 0.00 175.10 175.82 1u3h n ALA 129 N 3.15 1.30 -2.43 5.51 0.00 -1.26 -4.62 120.51 122.16 1u3h n ALA 129 Ca -0.18 -1.09 -0.32 0.00 0.00 0.00 0.00 53.44 51.85 1u3h n ALA 129 Cb 0.53 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 1u3h n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u3h s ASP 130 N -7.18 6.63 0.00 0.00 1.01 -1.26 -4.44 116.67 111.43 1u3h s ASP 130 Ca -0.37 0.92 0.00 0.00 0.71 0.00 0.00 52.55 53.80 1u3h s ASP 130 Cb 0.13 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.84 1u3h s ASP 130 CO 0.51 -0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.45 1u3h n GLY 131 N -0.04 0.66 3.12 0.21 0.00 -1.26 -4.83 105.19 103.04 1u3h n GLY 131 Ca -0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1u3h n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u3h s VAL 132 N -2.13 1.66 0.14 1.61 1.01 -1.26 -1.13 120.40 120.30 1u3h s VAL 132 Ca 0.00 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1u3h s VAL 132 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1u3h s VAL 132 CO 0.00 0.47 -0.14 -0.47 0.00 0.00 0.00 175.10 174.96 1u3h s TYR 133 N 0.68 1.45 -0.00 5.22 5.04 -0.81 -4.97 117.35 123.95 1u3h s TYR 133 Ca -0.13 -0.58 -0.03 0.00 -2.44 0.00 0.00 57.07 53.89 1u3h s TYR 133 Cb -0.16 -0.74 -0.00 0.00 0.35 0.00 0.00 41.96 41.40 1u3h s TYR 133 CO 0.03 0.18 0.05 -2.00 -1.34 0.00 0.00 175.55 172.47 1u3h s GLU 134 N -2.96 0.28 0.77 4.97 2.12 -1.26 0.02 118.70 122.63 1u3h s GLU 134 Ca 0.12 -0.31 -0.03 0.00 0.36 0.00 0.00 54.97 55.12 1u3h s GLU 134 Cb -0.03 0.11 0.15 0.00 0.26 0.00 0.00 34.13 34.61 1u3h s GLU 134 CO 0.03 -0.05 1.06 0.95 -0.54 0.00 0.00 175.26 176.71 1u3h s THR 135 N -0.91 2.07 0.27 -1.70 -4.23 0.16 -5.01 115.64 106.29 1u3h s THR 135 Ca -0.10 -0.52 -0.04 0.00 -1.18 0.00 0.00 61.69 59.85 1u3h s THR 135 Cb -0.06 -2.55 0.06 0.00 1.34 0.00 0.00 72.50 71.29 1u3h s THR 135 CO 0.00 0.00 0.37 -1.20 -0.54 0.00 0.00 174.62 173.25 1u3h n SER 136 N -3.00 0.08 -4.54 3.99 7.64 -1.26 -4.70 113.62 111.83 1u3h n SER 136 Ca 0.16 -1.16 -0.43 0.00 1.01 0.00 0.00 58.87 58.45 1u3h n SER 136 Cb 0.60 -0.28 -0.07 0.00 -1.01 0.00 0.00 64.21 63.46 1u3h n SER 136 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1u3h s PHE 137 N -1.70 3.09 0.42 1.43 0.08 -1.26 -4.50 117.98 115.53 1u3h s PHE 137 Ca 0.22 0.09 -0.18 0.00 0.12 0.00 0.00 56.93 57.17 1u3h s PHE 137 Cb -0.01 -3.31 -0.10 0.00 -0.57 0.00 0.00 43.02 39.04 1u3h s PHE 137 CO 0.15 -0.80 0.90 -0.06 -0.10 0.00 0.00 175.22 175.31 1u3h s PHE 138 N 2.82 3.36 0.21 0.36 0.40 0.10 -4.90 117.98 120.33 1u3h s PHE 138 Ca 0.24 1.46 -0.22 0.00 -0.60 0.00 0.00 56.93 57.81 1u3h s PHE 138 Cb -0.14 -2.75 -0.08 0.00 0.51 0.00 0.00 43.02 40.56 1u3h s PHE 138 CO 0.18 -0.11 0.76 0.14 0.70 0.00 0.00 175.22 176.89 1u3h s VAL 139 N -2.22 4.47 0.38 -0.44 -7.23 -1.26 -2.42 120.40 111.67 1u3h s VAL 139 Ca 0.59 1.48 0.08 0.00 -1.81 0.00 0.00 61.98 62.32 1u3h s VAL 139 Cb -0.09 -3.97 -0.03 0.00 0.56 0.00 0.00 36.38 32.85 1u3h s VAL 139 CO 0.18 0.32 0.30 0.20 -0.31 0.00 0.00 175.10 175.79 1u3h s ASN 140 N -1.46 5.02 0.33 4.85 0.01 -0.31 -4.89 114.94 118.49 1u3h s ASN 140 Ca 0.41 -0.70 0.08 0.00 -0.71 0.00 0.00 52.86 51.94 1u3h s ASN 140 Cb -0.19 -0.72 0.58 0.00 0.41 0.00 0.00 41.25 41.33 1u3h s ASN 140 CO 0.23 -0.49 1.78 -0.09 -1.51 0.00 0.00 177.10 177.01 1u3h h ARG 141 N 1.21 0.20 -0.22 -0.60 2.43 -1.98 -2.36 114.38 113.07 1u3h h ARG 141 Ca -0.43 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1u3h h ARG 141 Cb 1.26 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1u3h h ARG 141 CO 0.60 0.52 0.00 -0.40 -1.51 0.00 0.00 179.97 179.17 1u3h n ASP 142 N -4.10 1.30 -0.42 -3.80 5.75 -1.26 -4.88 116.55 109.13 1u3h n ASP 142 Ca -0.01 -1.90 -0.06 0.00 -0.01 0.00 0.00 54.79 52.81 1u3h n ASP 142 Cb 0.41 -0.14 -0.02 0.00 -1.03 0.00 0.00 41.12 40.33 1u3h n ASP 142 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1u3h n TYR 143 N 0.17 0.00 -2.98 2.11 4.01 -0.89 -5.03 117.16 114.55 1u3h n TYR 143 Ca 0.10 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.68 1u3h n TYR 143 Cb 0.22 -1.31 0.06 0.00 -0.31 0.00 0.00 39.34 38.00 1u3h n TYR 143 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1u3h n SER 144 N 0.75 1.72 -4.23 7.72 3.41 -1.26 -4.85 113.62 116.87 1u3h n SER 144 Ca -0.06 -2.26 -0.13 0.00 -0.26 0.00 0.00 58.87 56.16 1u3h n SER 144 Cb 0.21 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.68 1u3h n SER 144 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1u3h s PHE 145 N -2.09 1.19 0.11 7.33 0.40 -0.11 -1.16 117.98 123.65 1u3h s PHE 145 Ca 0.52 -1.07 0.05 0.00 -0.60 0.00 0.00 56.93 55.83 1u3h s PHE 145 Cb -0.04 -0.68 -0.04 0.00 0.51 0.00 0.00 43.02 42.78 1u3h s PHE 145 CO 0.33 -0.27 -0.12 -3.38 0.70 0.00 0.00 175.22 172.48 1u3h s HIS 146 N -3.73 1.25 0.04 0.36 -3.43 -1.02 0.27 115.29 109.04 1u3h s HIS 146 Ca 0.25 -0.60 -0.07 0.00 -0.80 0.00 0.00 55.06 53.85 1u3h s HIS 146 Cb 0.06 -0.66 -0.01 0.00 -1.43 0.00 0.00 32.58 30.54 1u3h s HIS 146 CO 0.05 0.08 0.13 0.21 -2.00 0.00 0.00 174.74 173.21 1u3h s LYS 147 N -2.71 0.62 0.02 -0.38 2.20 -0.48 -0.72 119.74 118.29 1u3h s LYS 147 Ca 0.07 -0.71 0.06 0.00 -0.36 0.00 0.00 55.97 55.03 1u3h s LYS 147 Cb -0.04 0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.51 1u3h s LYS 147 CO 0.02 -0.16 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.15 1u3h s LEU 148 N -2.11 2.11 0.09 5.43 1.02 -1.26 -1.59 118.68 122.37 1u3h s LEU 148 Ca -0.05 -0.43 0.10 0.00 0.02 0.00 0.00 54.13 53.77 1u3h s LEU 148 Cb -0.01 -0.91 -0.03 0.00 0.02 0.00 0.00 46.19 45.26 1u3h s LEU 148 CO -0.04 0.17 -0.25 -0.55 0.02 0.00 0.00 176.35 175.70 1u3h s SER 149 N -0.85 3.02 -0.01 2.29 0.15 -0.23 -0.67 113.70 117.41 1u3h s SER 149 Ca 0.06 -0.67 0.05 0.00 0.70 0.00 0.00 55.95 56.10 1u3h s SER 149 Cb -0.08 -0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.00 1u3h s SER 149 CO 0.01 0.17 -0.17 -0.31 1.20 0.00 0.00 173.24 174.14 1u3h s TYR 150 N -0.98 1.48 -0.22 3.44 1.51 0.10 -0.47 117.35 122.21 1u3h s TYR 150 Ca 0.11 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 1u3h s TYR 150 Cb -0.10 -0.95 0.06 0.00 -0.11 0.00 0.00 41.96 40.86 1u3h s TYR 150 CO 0.04 -0.02 -0.05 -1.17 -1.11 0.00 0.00 175.55 173.24 1u3h s LEU 151 N -0.40 2.34 0.42 -1.29 2.96 0.60 -1.93 118.68 121.36 1u3h s LEU 151 Ca 0.06 -1.07 -0.25 0.00 -0.22 0.00 0.00 54.13 52.66 1u3h s LEU 151 Cb -0.06 -1.11 -0.08 0.00 0.50 0.00 0.00 46.19 45.43 1u3h s LEU 151 CO -0.01 -0.23 1.17 0.42 -1.32 0.00 0.00 176.35 176.39 1u3h s THR 152 N 1.45 3.14 0.20 3.68 -4.23 -0.28 -0.24 115.64 119.36 1u3h s THR 152 Ca -0.04 0.93 -0.22 0.00 -1.18 0.00 0.00 61.69 61.17 1u3h s THR 152 Cb -0.18 -3.51 0.05 0.00 1.34 0.00 0.00 72.50 70.21 1u3h s THR 152 CO -0.07 0.06 0.65 0.72 -0.54 0.00 0.00 174.62 175.44 1u3h s PHE 153 N -1.45 -0.41 -0.28 3.99 -0.71 -0.63 -4.88 117.98 113.61 1u3h s PHE 153 Ca 0.59 0.12 -0.04 0.00 -1.04 0.00 0.00 56.93 56.56 1u3h s PHE 153 Cb -0.30 0.61 0.02 0.00 -1.21 0.00 0.00 43.02 42.14 1u3h s PHE 153 CO 0.37 -0.97 0.02 0.42 -1.34 0.00 0.00 175.22 173.72 1u3h s ILE 154 N -3.79 3.43 0.09 -4.49 -1.09 -1.26 -0.89 121.20 113.20 1u3h s ILE 154 Ca 0.05 -0.91 -0.34 0.00 -2.23 0.00 0.00 60.65 57.21 1u3h s ILE 154 Cb -0.03 -2.78 -0.14 0.00 -1.58 0.00 0.00 42.46 37.93 1u3h s ILE 154 CO -0.06 0.10 1.62 -2.65 -1.23 0.00 0.00 174.94 172.72 1u3h n PRO 155 N 4.76 2.03 -4.11 2.79 -0.02 -1.26 -4.96 135.00 134.23 1u3h n PRO 155 Ca -0.15 0.73 -0.10 0.00 -2.02 0.00 0.00 63.50 61.96 1u3h n PRO 155 Cb 0.47 -2.50 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 1u3h n PRO 155 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1u3h s SER 156 N 1.55 0.86 0.14 2.55 0.01 -1.26 -3.84 113.70 113.71 1u3h s SER 156 Ca 0.83 -0.83 -0.10 0.00 1.31 0.00 0.00 55.95 57.15 1u3h s SER 156 Cb -0.72 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.58 1u3h s SER 156 CO 0.42 -0.40 1.46 0.44 0.41 0.00 0.00 173.24 175.57 1u3h h ASP 157 N 3.58 0.95 -0.21 2.44 3.32 -1.97 -3.20 116.42 121.33 1u3h h ASP 157 Ca -0.35 -0.47 -0.08 0.00 0.02 0.00 0.00 57.03 56.16 1u3h h ASP 157 Cb 1.17 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.41 1u3h h ASP 157 CO 0.56 1.26 0.10 -0.90 -1.72 0.00 0.00 179.24 178.54 1u3h n ASP 158 N -4.03 2.80 -4.10 6.45 5.75 -1.26 -4.88 116.55 117.28 1u3h n ASP 158 Ca -0.03 -2.34 -0.24 0.00 -0.01 0.00 0.00 54.79 52.17 1u3h n ASP 158 Cb 0.58 -0.57 -0.16 0.00 -1.03 0.00 0.00 41.12 39.94 1u3h n ASP 158 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1u3h s ASP 159 N 0.17 1.84 0.02 -1.12 1.11 -1.21 -4.98 116.67 112.48 1u3h s ASP 159 Ca 0.14 -0.29 0.05 0.00 0.18 0.00 0.00 52.55 52.62 1u3h s ASP 159 Cb 0.12 -0.44 -0.02 0.00 1.07 0.00 0.00 42.92 43.65 1u3h s ASP 159 CO 0.03 0.14 -0.14 -0.63 1.18 0.00 0.00 175.17 175.75 1u3h s ILE 160 N -0.01 1.09 0.22 0.77 1.09 -1.26 -4.41 121.20 118.69 1u3h s ILE 160 Ca -0.01 -0.80 0.08 0.00 -1.10 0.00 0.00 60.65 58.82 1u3h s ILE 160 Cb -0.09 -0.95 -0.05 0.00 -1.06 0.00 0.00 42.46 40.30 1u3h s ILE 160 CO 0.01 0.15 -0.15 -0.31 -0.10 0.00 0.00 174.94 174.54 1u3h s TYR 161 N -0.59 1.81 -0.10 3.97 1.51 -0.17 -0.44 117.35 123.34 1u3h s TYR 161 Ca 0.03 -0.54 -0.08 0.00 -1.01 0.00 0.00 57.07 55.48 1u3h s TYR 161 Cb -0.07 -0.83 0.03 0.00 -0.11 0.00 0.00 41.96 40.99 1u3h s TYR 161 CO 0.00 0.41 0.26 -0.51 -1.11 0.00 0.00 175.55 174.61 1u3h s ASP 162 N -3.35 -0.28 -0.30 2.29 1.01 -0.29 -1.82 116.67 113.93 1u3h s ASP 162 Ca 0.24 0.53 -0.11 0.00 0.71 0.00 0.00 52.55 53.93 1u3h s ASP 162 Cb -0.01 0.49 -0.02 0.00 1.01 0.00 0.00 42.92 44.38 1u3h s ASP 162 CO 0.08 -0.12 0.18 0.00 0.21 0.00 0.00 175.17 175.52 1u3h s LYS 164 N 1.68 4.10 -0.10 0.00 2.20 0.91 -0.11 119.74 128.43 1u3h s LYS 164 Ca 0.06 -0.23 0.03 0.00 -0.36 0.00 0.00 55.97 55.46 1u3h s LYS 164 Cb -0.17 -3.51 -0.01 0.00 -1.51 0.00 0.00 37.83 32.63 1u3h s LYS 164 CO 0.08 0.11 -0.20 0.08 -0.36 0.00 0.00 175.35 175.06 1u3h s VAL 165 N 0.92 2.42 -0.18 4.02 1.01 0.17 -1.02 120.40 127.75 1u3h s VAL 165 Ca 0.08 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1u3h s VAL 165 Cb -0.13 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.32 1u3h s VAL 165 CO 0.03 0.55 -0.16 -1.61 0.00 0.00 0.00 175.10 173.92 1u3h s GLU 166 N 0.26 2.52 0.03 2.72 2.02 -0.54 -1.65 118.70 124.07 1u3h s GLU 166 Ca -0.14 -0.75 -0.07 0.00 0.02 0.00 0.00 54.97 54.02 1u3h s GLU 166 Cb -0.17 -2.38 -0.00 0.00 0.10 0.00 0.00 34.13 31.68 1u3h s GLU 166 CO 0.07 -0.28 0.14 -1.58 0.02 0.00 0.00 175.26 173.63 1u3h s HIS 167 N 1.37 0.12 0.25 1.61 2.46 -1.26 -2.23 115.29 117.61 1u3h s HIS 167 Ca 0.03 -0.35 -0.05 0.00 0.47 0.00 0.00 55.06 55.16 1u3h s HIS 167 Cb -0.14 -0.09 0.28 0.00 -0.13 0.00 0.00 32.58 32.51 1u3h s HIS 167 CO -0.11 -0.37 1.90 -1.49 -2.47 0.00 0.00 174.74 172.20 1u3h h TRP 168 N 3.72 1.19 0.00 3.88 6.55 -1.89 -1.49 115.95 127.90 1u3h h TRP 168 Ca -0.32 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.52 1u3h h TRP 168 Cb 1.19 -0.39 0.00 0.00 -0.86 0.00 0.00 29.16 29.10 1u3h h TRP 168 CO 0.54 0.79 0.00 0.41 -1.05 0.00 0.00 178.44 179.13 1u3h n GLY 169 N -1.25 -0.35 3.10 1.49 0.00 -1.24 -4.52 105.19 102.43 1u3h n GLY 169 Ca 0.10 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1u3h n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u3h s LEU 170 N -1.50 1.91 0.37 0.99 1.43 -0.56 -4.25 118.68 117.06 1u3h s LEU 170 Ca 0.08 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 52.72 1u3h s LEU 170 Cb 0.04 -1.29 0.73 0.00 0.03 0.00 0.00 46.19 45.70 1u3h s LEU 170 CO 0.06 0.02 1.91 -0.08 0.23 0.00 0.00 176.35 178.50 1u3h h GLU 171 N 7.60 0.36 -3.82 1.70 4.57 -1.83 -3.44 114.58 119.73 1u3h h GLU 171 Ca -0.35 -0.07 -0.22 0.00 -1.18 0.00 0.00 59.36 57.53 1u3h h GLU 171 Cb 1.17 -0.05 -0.26 0.00 -0.16 0.00 0.00 28.75 29.44 1u3h h GLU 171 CO 0.54 0.44 -0.72 -2.00 -1.18 0.00 0.00 179.01 176.09 1u3h s GLU 172 N -4.87 0.09 0.17 1.92 2.56 -1.26 -5.12 118.70 112.19 1u3h s GLU 172 Ca -0.06 -0.15 -0.34 0.00 0.00 0.00 0.00 54.97 54.42 1u3h s GLU 172 Cb 0.16 0.01 -0.14 0.00 2.00 0.00 0.00 34.13 36.15 1u3h s GLU 172 CO 0.74 -0.01 1.59 -2.30 -0.56 0.00 0.00 175.26 174.73 1u3h n PRO 173 N 2.73 2.22 -3.53 4.30 -0.02 -1.26 -4.97 135.00 134.47 1u3h n PRO 173 Ca -0.15 0.80 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 1u3h n PRO 173 Cb 0.59 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 1u3h n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1u3h s VAL 174 N 0.93 5.04 -0.20 -1.45 1.01 -0.66 -4.90 120.40 120.17 1u3h s VAL 174 Ca 0.78 0.49 0.01 0.00 0.00 0.00 0.00 61.98 63.26 1u3h s VAL 174 Cb -0.66 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.09 1u3h s VAL 174 CO 0.37 0.22 -0.18 -0.76 0.00 0.00 0.00 175.10 174.76 1u3h s LEU 175 N -2.07 2.43 -0.23 3.92 1.43 -1.26 -0.65 118.68 122.25 1u3h s LEU 175 Ca 0.36 -0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 1u3h s LEU 175 Cb -0.14 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 1u3h s LEU 175 CO 0.19 -0.04 0.38 -0.75 0.23 0.00 0.00 176.35 176.35 1u3h s LYS 176 N 1.25 4.10 0.24 1.70 2.47 0.85 -4.89 119.74 125.47 1u3h s LYS 176 Ca 0.02 0.11 -0.15 0.00 -1.56 0.00 0.00 55.97 54.39 1u3h s LYS 176 Cb -0.15 -3.59 -0.08 0.00 -1.46 0.00 0.00 37.83 32.56 1u3h s LYS 176 CO -0.11 -0.14 0.65 -1.58 0.16 0.00 0.00 175.35 174.34 1u3h s HIS 177 N 1.63 3.49 -0.25 4.03 5.65 -1.26 -0.68 115.29 127.90 1u3h s HIS 177 Ca 0.17 1.14 -0.17 0.00 0.25 0.00 0.00 55.06 56.45 1u3h s HIS 177 Cb -0.15 -2.46 0.07 0.00 -1.18 0.00 0.00 32.58 28.86 1u3h s HIS 177 CO 0.08 0.26 0.63 -0.46 -0.65 0.00 0.00 174.74 174.61 1u3h s TRP 178 N -1.73 -0.88 -0.02 3.88 -0.00 -0.76 -4.81 118.94 114.62 1u3h s TRP 178 Ca 0.47 1.87 -0.04 0.00 -0.00 0.00 0.00 56.10 58.40 1u3h s TRP 178 Cb -0.13 0.45 0.00 0.00 -0.00 0.00 0.00 33.47 33.79 1u3h s TRP 178 CO 0.19 -0.44 0.10 -1.83 -0.00 0.00 0.00 176.95 174.97 1u3h s GLU 179 N 1.16 0.25 -0.01 5.86 -1.05 -1.26 -1.00 118.70 122.65 1u3h s GLU 179 Ca -0.07 -0.11 -0.30 0.00 -0.15 0.00 0.00 54.97 54.35 1u3h s GLU 179 Cb -0.05 0.11 -0.07 0.00 -0.44 0.00 0.00 34.13 33.67 1u3h s GLU 179 CO -0.12 -0.05 1.85 -1.25 0.95 0.00 0.00 175.26 176.64 1u3h s PRO 180 N -0.55 4.11 0.00 -4.83 0.04 -1.26 -5.07 135.00 127.45 1u3h s PRO 180 Ca -0.06 2.40 0.12 0.00 0.04 0.00 0.00 61.00 63.49 1u3h s PRO 180 Cb -0.04 -4.10 0.09 0.00 0.04 0.00 0.00 34.50 30.49 1u3h s PRO 180 CO 0.00 -0.97 0.86 -1.91 0.04 0.00 0.00 177.00 175.03