#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k94 s ILE 3 N 0.00 4.26 -0.33 1.39 1.01 -1.26 -4.22 121.20 122.05 3k94 s ILE 3 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 3k94 s ILE 3 Cb 0.00 -3.01 0.03 0.00 0.01 0.00 0.00 42.46 39.50 3k94 s ILE 3 CO 0.00 0.32 0.09 -1.00 0.00 0.00 0.00 174.94 174.35 3k94 s HIS 4 N 1.60 3.23 -0.21 3.97 3.76 -1.26 -1.27 115.29 125.10 3k94 s HIS 4 Ca 0.06 -1.35 -0.11 0.00 -0.15 0.00 0.00 55.06 53.51 3k94 s HIS 4 Cb -0.15 -2.26 -0.05 0.00 1.11 0.00 0.00 32.58 31.23 3k94 s HIS 4 CO 0.03 -0.70 0.19 0.42 -0.85 0.00 0.00 174.74 173.83 3k94 s ILE 5 N 1.42 5.36 -0.28 0.60 1.01 0.21 -0.73 121.20 128.79 3k94 s ILE 5 Ca -0.01 0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.91 3k94 s ILE 5 Cb -0.19 -3.53 0.05 0.00 0.01 0.00 0.00 42.46 38.80 3k94 s ILE 5 CO 0.02 0.38 -0.03 -0.69 0.00 0.00 0.00 174.94 174.62 3k94 s VAL 6 N 0.75 2.82 0.22 2.92 1.01 0.32 -0.24 120.40 128.20 3k94 s VAL 6 Ca 0.10 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.75 3k94 s VAL 6 Cb -0.13 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.72 3k94 s VAL 6 CO 0.02 -0.02 0.30 0.61 0.00 0.00 0.00 175.10 176.02 3k94 n GLY 7 N 4.60 1.15 1.61 4.51 0.00 -0.06 -0.49 105.19 116.52 3k94 n GLY 7 Ca -0.14 -2.04 -0.05 0.00 0.00 0.00 0.00 46.02 43.78 3k94 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k94 n GLY 8 N 2.60 4.16 3.47 -0.02 0.00 -1.21 -3.66 105.19 110.52 3k94 n GLY 8 Ca 0.05 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 3k94 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k94 s GLY 9 N -1.62 1.51 0.17 -0.02 0.00 -0.52 -4.85 107.32 101.99 3k94 s GLY 9 Ca 0.50 -0.49 -0.32 0.00 0.00 0.00 0.00 44.72 44.41 3k94 s GLY 9 CO 0.09 0.33 1.07 -1.05 0.00 0.00 0.00 173.10 173.54 3k94 n PRO 10 N -5.02 0.96 0.14 2.90 -0.02 -1.26 -4.85 135.00 127.85 3k94 n PRO 10 Ca 0.07 0.34 0.03 0.00 -2.02 0.00 0.00 63.50 61.92 3k94 n PRO 10 Cb 0.57 -1.77 0.03 0.00 -0.02 0.00 0.00 33.50 32.31 3k94 n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k94 h ARG 11 N 2.95 0.00 0.00 -0.52 3.08 -1.95 -3.06 114.38 114.88 3k94 h ARG 11 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3k94 h ARG 11 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3k94 h ARG 11 CO 0.67 0.44 0.00 -0.85 -1.07 0.00 0.00 179.97 179.16 3k94 n GLU 12 N -3.19 0.18 0.09 0.04 0.00 -1.26 -2.25 120.64 114.24 3k94 n GLU 12 Ca 0.02 0.41 0.13 0.00 0.00 0.00 0.00 57.16 57.71 3k94 n GLU 12 Cb 0.72 -1.84 0.33 0.00 0.00 0.00 0.00 31.44 30.64 3k94 n GLU 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3k94 n LEU 13 N -2.19 0.75 -4.77 -1.84 4.77 -1.16 -4.89 117.00 107.68 3k94 n LEU 13 Ca 0.02 0.45 -0.40 0.00 -0.03 0.00 0.00 56.01 56.05 3k94 n LEU 13 Cb 0.23 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 3k94 n LEU 13 CO 0.19 -0.13 0.91 -0.76 -1.33 0.00 0.00 177.39 176.27 3k94 s LEU 14 N -4.36 4.39 1.06 2.23 1.43 -0.96 -0.33 118.68 122.14 3k94 s LEU 14 Ca 0.09 2.53 -0.13 0.00 -1.03 0.00 0.00 54.13 55.59 3k94 s LEU 14 Cb 0.13 -3.74 0.22 0.00 0.03 0.00 0.00 46.19 42.83 3k94 s LEU 14 CO 0.64 -0.50 1.09 -2.16 0.23 0.00 0.00 176.35 175.64 3k94 s PRO 15 N -1.85 -0.04 -0.31 1.29 0.05 -1.26 -4.53 135.00 128.34 3k94 s PRO 15 Ca 0.50 0.44 -0.29 0.00 0.05 0.00 0.00 61.00 61.71 3k94 s PRO 15 Cb -0.36 -1.69 -0.01 0.00 0.05 0.00 0.00 34.50 32.49 3k94 s PRO 15 CO 0.47 -3.03 1.62 0.34 0.05 0.00 0.00 177.00 176.46 3k94 s ASP 16 N -3.41 6.19 0.58 6.66 2.15 -1.26 -4.88 116.67 122.70 3k94 s ASP 16 Ca 0.66 1.29 0.37 0.00 0.43 0.00 0.00 52.55 55.30 3k94 s ASP 16 Cb -0.18 -2.53 1.68 0.00 -0.30 0.00 0.00 42.92 41.59 3k94 s ASP 16 CO 0.58 -1.47 2.10 -0.07 -0.17 0.00 0.00 175.17 176.15 3k94 h LEU 17 N 12.54 0.00 -2.10 -1.34 3.38 -1.99 -2.08 115.31 123.73 3k94 h LEU 17 Ca -0.32 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.71 3k94 h LEU 17 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3k94 h LEU 17 CO 1.03 0.01 0.15 0.03 0.09 0.00 0.00 178.44 179.76 3k94 h ARG 18 N 0.00 0.00 -0.00 1.13 3.08 -1.97 0.10 114.38 116.72 3k94 h ARG 18 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k94 h ARG 18 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3k94 h ARG 18 CO 0.00 0.00 -0.16 1.19 -1.07 0.00 0.00 179.97 179.94 3k94 n PHE 19 N -4.24 0.00 -0.36 3.04 3.72 -0.78 -2.98 117.46 115.86 3k94 n PHE 19 Ca 0.02 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.48 3k94 n PHE 19 Cb 0.29 -0.24 0.19 0.00 -0.94 0.00 0.00 39.48 38.78 3k94 n PHE 19 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3k94 n TYR 20 N -1.11 0.64 -3.63 1.38 4.01 0.32 -5.01 117.16 113.77 3k94 n TYR 20 Ca 0.12 -0.57 -0.28 0.00 -0.16 0.00 0.00 57.90 57.00 3k94 n TYR 20 Cb 0.30 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 3k94 n TYR 20 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3k94 s ASP 21 N -1.16 6.41 0.00 7.72 2.15 -0.96 -4.98 116.67 125.86 3k94 s ASP 21 Ca 0.30 0.49 0.00 0.00 0.43 0.00 0.00 52.55 53.76 3k94 s ASP 21 Cb 0.18 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.75 3k94 s ASP 21 CO 0.16 -0.05 0.00 0.61 -0.17 0.00 0.00 175.17 175.72 3k94 n GLY 22 N -0.58 0.46 0.22 2.66 0.00 -1.26 -5.00 105.19 101.69 3k94 n GLY 22 Ca -0.04 -0.77 0.15 0.00 0.00 0.00 0.00 46.02 45.37 3k94 n GLY 22 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3k94 h GLU 23 N 0.00 0.00 -0.18 1.61 4.11 -2.02 -1.34 114.58 116.75 3k94 h GLU 23 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3k94 h GLU 23 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3k94 h GLU 23 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 178.68 3k94 n ASP 24 N -2.74 2.17 -2.35 3.06 5.75 -1.26 -5.06 116.55 116.14 3k94 n ASP 24 Ca 0.01 -1.77 -0.03 0.00 -0.01 0.00 0.00 54.79 52.99 3k94 n ASP 24 Cb 0.26 -0.11 0.02 0.00 -1.03 0.00 0.00 41.12 40.25 3k94 n ASP 24 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3k94 n VAL 25 N 0.66 0.00 -3.67 2.12 0.31 -0.51 -0.48 118.33 116.76 3k94 n VAL 25 Ca 0.17 -0.22 -0.13 0.00 -0.01 0.00 0.00 64.34 64.15 3k94 n VAL 25 Cb 0.42 -1.27 -0.08 0.00 -0.91 0.00 0.00 33.84 32.00 3k94 n VAL 25 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 3k94 s TRP 27 N -0.12 -0.68 -0.05 3.52 0.52 -1.26 -4.80 118.94 116.07 3k94 s TRP 27 Ca 0.09 1.62 0.03 0.00 0.02 0.00 0.00 56.10 57.86 3k94 s TRP 27 Cb -0.01 0.25 0.01 0.00 -1.15 0.00 0.00 33.47 32.57 3k94 s TRP 27 CO 0.06 -0.33 -0.13 0.08 0.02 0.00 0.00 176.95 176.65 3k94 s VAL 28 N 0.46 1.12 0.03 4.03 1.01 0.09 -0.30 120.40 126.84 3k94 s VAL 28 Ca -0.01 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 3k94 s VAL 28 Cb -0.04 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 3k94 s VAL 28 CO -0.01 0.34 0.33 -0.83 0.00 0.00 0.00 175.10 174.92 3k94 s GLY 29 N 0.33 2.30 -0.07 4.51 0.00 -0.50 -0.53 107.32 113.36 3k94 s GLY 29 Ca -0.08 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.17 3k94 s GLY 29 CO 0.02 -0.26 -0.04 0.14 0.00 0.00 0.00 173.10 172.95 3k94 s VAL 30 N -1.32 0.64 0.00 1.40 1.01 0.36 -1.19 120.40 121.30 3k94 s VAL 30 Ca 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.16 3k94 s VAL 30 Cb -0.14 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.55 3k94 s VAL 30 CO 0.16 0.28 0.00 0.47 0.00 0.00 0.00 175.10 176.01 3k94 n ASP 31 N 4.55 0.00 0.00 3.32 8.00 -0.26 -0.66 116.55 131.49 3k94 n ASP 31 Ca -0.17 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.45 3k94 n ASP 31 Cb 0.50 0.00 0.66 0.00 -0.02 0.00 0.00 41.12 42.26 3k94 n ASP 31 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3k94 n ARG 32 N 14.00 0.52 0.12 -1.24 1.85 -1.26 -2.64 116.66 128.01 3k94 n ARG 32 Ca 0.00 0.04 0.19 0.00 -1.00 0.00 0.00 57.85 57.07 3k94 n ARG 32 Cb 0.00 -1.50 0.76 0.00 -1.05 0.00 0.00 32.46 30.67 3k94 n ARG 32 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 3k94 h GLY 33 N 3.93 0.00 -2.35 2.89 0.00 -0.96 -3.24 103.07 103.34 3k94 h GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k94 h GLY 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 3k94 n THR 34 N -3.93 0.16 0.00 4.70 -1.04 -1.08 -2.57 114.28 110.53 3k94 n THR 34 Ca 0.05 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3k94 n THR 34 Cb 0.48 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 3k94 n THR 34 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3k94 n THR 36 N 1.12 0.00 -0.08 12.58 -1.04 -1.22 -1.63 114.28 124.01 3k94 n THR 36 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 3k94 n THR 36 Cb 0.07 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.57 3k94 n THR 36 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3k94 h LEU 37 N 0.00 0.21 -0.90 -4.42 3.38 -1.82 -2.26 115.31 109.50 3k94 h LEU 37 Ca 0.00 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3k94 h LEU 37 Cb 0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 3k94 h LEU 37 CO 0.00 0.16 0.57 0.25 0.09 0.00 0.00 178.44 179.51 3k94 h LEU 38 N 0.30 0.92 -1.30 1.67 6.46 -1.42 -0.87 115.31 121.07 3k94 h LEU 38 Ca 0.13 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.84 3k94 h LEU 38 Cb 0.05 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 3k94 h LEU 38 CO -0.09 0.61 -0.06 -0.33 -0.62 0.00 0.00 178.44 177.94 3k94 h GLU 39 N 1.07 0.40 -0.00 1.25 4.39 -1.75 -0.80 114.58 119.14 3k94 h GLU 39 Ca 0.38 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.99 3k94 h GLU 39 Cb 0.10 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3k94 h GLU 39 CO -0.15 0.48 -0.05 0.00 -1.16 0.00 0.00 179.01 178.13 3k94 n ALA 40 N -2.48 2.58 -1.02 3.43 0.00 -0.71 -4.90 120.51 117.41 3k94 n ALA 40 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 3k94 n ALA 40 Cb 0.26 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.27 3k94 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k94 n GLY 41 N 1.33 0.45 3.86 0.00 0.00 -0.31 -5.04 105.19 105.48 3k94 n GLY 41 Ca 0.13 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 3k94 n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k94 s PHE 42 N -2.01 3.64 -0.29 1.61 0.08 -0.42 -5.00 117.98 115.60 3k94 s PHE 42 Ca 0.00 0.85 -0.14 0.00 0.12 0.00 0.00 56.93 57.76 3k94 s PHE 42 Cb 0.00 -2.19 -0.04 0.00 -0.57 0.00 0.00 43.02 40.22 3k94 s PHE 42 CO 0.00 0.59 0.30 0.50 -0.10 0.00 0.00 175.22 176.51 3k94 s ARG 43 N -1.51 3.92 0.28 0.44 3.52 -1.26 -3.91 118.95 120.41 3k94 s ARG 43 Ca 0.28 -0.17 -0.30 0.00 -0.13 0.00 0.00 55.73 55.41 3k94 s ARG 43 Cb -0.15 -3.68 -0.10 0.00 -1.56 0.00 0.00 34.95 29.45 3k94 s ARG 43 CO 0.15 -0.28 1.47 -2.14 -0.81 0.00 0.00 175.30 173.69 3k94 s PRO 44 N 1.95 4.23 0.22 5.12 0.02 -1.26 -4.62 135.00 140.65 3k94 s PRO 44 Ca 0.12 2.38 0.25 0.00 0.02 0.00 0.00 61.00 63.76 3k94 s PRO 44 Cb -0.16 -3.08 0.90 0.00 0.02 0.00 0.00 34.50 32.19 3k94 s PRO 44 CO 0.11 -0.46 1.74 1.33 -0.33 0.00 0.00 177.00 179.39 3k94 n VAL 45 N 2.03 0.70 -3.58 3.83 0.24 0.59 -4.81 118.33 117.32 3k94 n VAL 45 Ca 0.06 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.34 62.22 3k94 n VAL 45 Cb 0.40 -0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 31.83 3k94 n VAL 45 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3k94 s ARG 46 N -3.20 0.71 0.08 7.34 3.52 -1.26 -4.75 118.95 121.39 3k94 s ARG 46 Ca 0.08 0.33 0.04 0.00 -0.13 0.00 0.00 55.73 56.05 3k94 s ARG 46 Cb 0.11 0.34 -0.03 0.00 -1.56 0.00 0.00 34.95 33.81 3k94 s ARG 46 CO 0.49 -0.19 -0.11 0.00 -0.81 0.00 0.00 175.30 174.68 3k94 s ALA 47 N -0.74 1.03 -0.04 6.12 0.00 -0.72 -1.41 121.76 126.00 3k94 s ALA 47 Ca -0.03 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.92 3k94 s ALA 47 Cb -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.10 3k94 s ALA 47 CO 0.02 0.05 -0.05 -0.06 0.00 0.00 0.00 175.76 175.71 3k94 s PHE 48 N -1.76 0.75 0.00 0.00 0.40 -0.33 0.09 117.98 117.13 3k94 s PHE 48 Ca -0.01 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.13 3k94 s PHE 48 Cb -0.07 -0.62 0.00 0.00 0.51 0.00 0.00 43.02 42.84 3k94 s PHE 48 CO 0.01 -0.15 0.00 0.41 0.70 0.00 0.00 175.22 176.19 3k94 n GLY 49 N 3.76 2.01 3.94 4.36 0.00 0.37 -1.10 105.19 118.52 3k94 n GLY 49 Ca -0.23 -1.97 -0.26 0.00 0.00 0.00 0.00 46.02 43.56 3k94 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k94 s ASP 50 N 0.00 6.34 0.09 1.61 1.01 -1.26 -3.90 116.67 120.56 3k94 s ASP 50 Ca 0.00 0.20 0.22 0.00 0.71 0.00 0.00 52.55 53.68 3k94 s ASP 50 Cb 0.00 -1.92 0.89 0.00 1.01 0.00 0.00 42.92 42.90 3k94 s ASP 50 CO 0.00 0.04 1.69 0.49 0.21 0.00 0.00 175.17 177.59 3k94 n PHE 51 N -0.59 0.31 0.31 4.23 3.01 -1.26 -2.61 117.46 120.87 3k94 n PHE 51 Ca -0.07 0.11 0.20 0.00 1.01 0.00 0.00 57.45 58.70 3k94 n PHE 51 Cb 0.54 -0.68 0.98 0.00 -0.01 0.00 0.00 39.48 40.32 3k94 n PHE 51 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3k94 h ASP 52 N 0.00 0.00 0.05 4.37 5.19 -1.99 -2.22 116.42 121.82 3k94 h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3k94 h ASP 52 Cb 0.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.92 3k94 h ASP 52 CO 0.00 0.00 -0.01 -1.20 -3.12 0.00 0.00 179.24 174.91 3k94 n SER 53 N -2.99 0.63 -4.43 6.45 7.64 -1.07 -4.80 113.62 115.06 3k94 n SER 53 Ca -0.02 -1.13 -0.29 0.00 1.01 0.00 0.00 58.87 58.45 3k94 n SER 53 Cb 0.15 -0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.21 3k94 n SER 53 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k94 s LEU 54 N -2.07 2.46 0.69 -3.43 1.43 -0.84 -4.39 118.68 112.53 3k94 s LEU 54 Ca 0.42 -0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 52.65 3k94 s LEU 54 Cb 0.21 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 45.13 3k94 s LEU 54 CO 0.37 0.17 1.23 -2.84 0.23 0.00 0.00 176.35 175.51 3k94 s PRO 55 N -2.17 2.37 0.24 1.29 0.02 -1.26 -4.82 135.00 130.67 3k94 s PRO 55 Ca 0.16 1.86 -0.04 0.00 0.02 0.00 0.00 61.00 63.00 3k94 s PRO 55 Cb -0.10 -1.85 0.39 0.00 0.02 0.00 0.00 34.50 32.96 3k94 s PRO 55 CO 0.08 -1.68 1.81 0.00 -0.33 0.00 0.00 177.00 176.88 3k94 h ALA 56 N 0.11 1.17 0.00 -1.55 0.00 -1.96 -0.08 119.26 116.95 3k94 h ALA 56 Ca -0.49 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3k94 h ALA 56 Cb 1.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3k94 h ALA 56 CO 0.51 0.10 -0.18 0.93 0.00 0.00 0.00 179.25 180.62 3k94 h GLU 57 N 0.80 0.00 -0.04 0.00 3.07 -2.00 -2.11 114.58 114.30 3k94 h GLU 57 Ca 0.40 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.04 3k94 h GLU 57 Cb 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 3k94 h GLU 57 CO -0.24 0.18 -0.85 -0.44 -1.40 0.00 0.00 179.01 176.25 3k94 h ASP 58 N 0.00 0.55 -0.46 1.42 3.32 -1.38 -2.54 116.42 117.32 3k94 h ASP 58 Ca -0.00 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 56.61 3k94 h ASP 58 Cb 0.33 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3k94 h ASP 58 CO 0.02 1.18 0.14 0.58 -1.72 0.00 0.00 179.24 179.45 3k94 h VAL 59 N 0.27 1.23 -0.66 -1.35 2.07 -0.74 0.64 116.25 117.71 3k94 h VAL 59 Ca -0.06 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 66.76 3k94 h VAL 59 Cb 1.47 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 3k94 h VAL 59 CO 0.15 0.27 0.37 0.58 0.02 0.00 0.00 177.57 178.96 3k94 h VAL 60 N 0.62 0.97 -0.57 2.57 2.07 -1.42 -0.66 116.25 119.83 3k94 h VAL 60 Ca 0.15 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 3k94 h VAL 60 Cb 0.28 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3k94 h VAL 60 CO -0.00 0.12 -0.06 0.11 0.02 0.00 0.00 177.57 177.76 3k94 h LYS 61 N 0.68 1.04 0.20 1.57 1.57 -1.04 -2.03 116.57 118.56 3k94 h LYS 61 Ca 0.29 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3k94 h LYS 61 Cb 0.18 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3k94 h LYS 61 CO -0.18 1.05 -0.10 1.25 -0.57 0.00 0.00 179.45 180.91 3k94 h LEU 62 N 0.94 -0.23 -1.02 2.94 6.46 -0.51 -1.69 115.31 122.19 3k94 h LEU 62 Ca 0.16 -0.14 -0.10 0.00 -0.12 0.00 0.00 57.88 57.68 3k94 h LEU 62 Cb 0.62 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 3k94 h LEU 62 CO 0.04 0.01 -0.45 0.06 -0.62 0.00 0.00 178.44 177.48 3k94 h GLN 63 N -0.47 0.00 0.22 1.25 -0.00 -1.14 0.12 115.11 115.09 3k94 h GLN 63 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 3k94 h GLN 63 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 3k94 h GLN 63 CO 0.05 0.45 -0.11 0.37 -0.00 0.00 0.00 178.83 179.58 3k94 h GLN 64 N 0.00 -0.30 -0.14 0.06 5.75 -1.31 -1.52 115.11 117.65 3k94 h GLN 64 Ca -0.00 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3k94 h GLN 64 Cb 0.87 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.48 3k94 h GLN 64 CO 0.06 -0.20 0.05 0.00 -2.65 0.00 0.00 178.83 176.09 3k94 h ALA 65 N 0.47 0.19 -2.57 3.38 0.00 -0.94 -3.38 119.26 116.41 3k94 h ALA 65 Ca -0.03 -0.12 -0.60 0.00 0.00 0.00 0.00 54.91 54.16 3k94 h ALA 65 Cb 0.24 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.58 3k94 h ALA 65 CO 0.04 -0.20 -0.78 1.19 0.00 0.00 0.00 179.25 179.51 3k94 n PHE 66 N -4.86 1.51 0.20 0.00 3.72 0.40 -4.95 117.46 113.48 3k94 n PHE 66 Ca -0.05 -3.87 0.13 0.00 -0.05 0.00 0.00 57.45 53.61 3k94 n PHE 66 Cb 0.14 -0.29 0.71 0.00 -0.94 0.00 0.00 39.48 39.09 3k94 n PHE 66 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3k94 h PRO 67 N 5.08 0.00 -0.64 -1.08 0.11 -1.46 -1.91 132.00 132.10 3k94 h PRO 67 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3k94 h PRO 67 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3k94 h PRO 67 CO 0.59 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 3k94 n ASP 68 N -4.32 4.75 -4.70 -2.05 3.85 -1.26 -5.00 116.55 107.82 3k94 n ASP 68 Ca 0.00 -2.53 -0.43 0.00 -0.71 0.00 0.00 54.79 51.12 3k94 n ASP 68 Cb 0.24 -0.59 -0.01 0.00 -1.35 0.00 0.00 41.12 39.40 3k94 n ASP 68 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 3k94 n LEU 69 N 0.94 3.55 -4.47 -2.12 0.00 -0.72 -4.91 117.00 109.27 3k94 n LEU 69 Ca 0.25 1.19 -0.43 0.00 0.00 0.00 0.00 56.01 57.01 3k94 n LEU 69 Cb 0.92 -1.48 -0.04 0.00 0.00 0.00 0.00 43.42 42.82 3k94 n LEU 69 CO 0.25 -0.40 0.74 -0.62 0.00 0.00 0.00 177.39 177.35 3k94 s ASP 70 N -0.07 6.21 -0.12 1.96 2.15 -1.26 -5.03 116.67 120.52 3k94 s ASP 70 Ca 0.60 -0.83 -0.04 0.00 0.43 0.00 0.00 52.55 52.71 3k94 s ASP 70 Cb -0.58 -2.42 -0.04 0.00 -0.30 0.00 0.00 42.92 39.58 3k94 s ASP 70 CO 0.58 -1.38 0.03 -0.69 -0.17 0.00 0.00 175.17 173.54 3k94 s VAL 71 N 4.01 4.55 -0.18 1.11 1.01 -1.26 -1.76 120.40 127.88 3k94 s VAL 71 Ca 0.24 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 3k94 s VAL 71 Cb -0.16 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 3k94 s VAL 71 CO 0.12 0.56 -0.04 0.26 0.00 0.00 0.00 175.10 176.00 3k94 s TRP 72 N -0.44 2.99 0.66 5.22 0.52 0.11 -4.97 118.94 123.03 3k94 s TRP 72 Ca 0.09 -0.52 -0.15 0.00 0.02 0.00 0.00 56.10 55.54 3k94 s TRP 72 Cb -0.12 -2.02 -0.00 0.00 -1.15 0.00 0.00 33.47 30.18 3k94 s TRP 72 CO 0.02 -0.23 1.10 -1.25 0.02 0.00 0.00 176.95 176.62 3k94 s PRO 73 N 0.80 2.83 0.53 4.98 0.04 -1.26 -0.48 135.00 142.44 3k94 s PRO 73 Ca -0.01 1.36 -0.22 0.00 0.04 0.00 0.00 61.00 62.17 3k94 s PRO 73 Cb -0.15 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 3k94 s PRO 73 CO 0.02 -1.23 1.30 0.00 0.04 0.00 0.00 177.00 177.13 3k94 n ALA 74 N -2.44 1.36 -2.52 8.56 0.00 -1.25 -4.54 120.51 119.68 3k94 n ALA 74 Ca 0.10 0.14 -0.31 0.00 0.00 0.00 0.00 53.44 53.37 3k94 n ALA 74 Cb 0.52 -2.31 -0.11 0.00 0.00 0.00 0.00 19.45 17.55 3k94 n ALA 74 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3k94 s GLU 75 N -2.76 2.18 0.30 0.00 2.02 -1.26 -5.00 118.70 114.19 3k94 s GLU 75 Ca 0.70 -0.94 -0.30 0.00 0.02 0.00 0.00 54.97 54.46 3k94 s GLU 75 Cb -0.43 -2.28 -0.11 0.00 0.10 0.00 0.00 34.13 31.40 3k94 s GLU 75 CO 0.50 0.55 1.57 0.15 0.02 0.00 0.00 175.26 178.05 3k94 s LYS 76 N -1.62 4.13 -0.30 1.61 1.02 -1.26 -2.99 119.74 120.33 3k94 s LYS 76 Ca 0.17 2.56 0.00 0.00 0.02 0.00 0.00 55.97 58.72 3k94 s LYS 76 Cb -0.11 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 3k94 s LYS 76 CO 0.08 -0.60 0.00 -0.25 -0.92 0.00 0.00 175.35 173.65 3k94 n ASP 77 N 1.91 -4.01 -3.90 2.83 8.00 -1.26 -4.99 116.55 115.13 3k94 n ASP 77 Ca 0.07 0.07 -0.11 0.00 0.71 0.00 0.00 54.79 55.53 3k94 n ASP 77 Cb 0.38 -1.75 -0.13 0.00 -0.02 0.00 0.00 41.12 39.59 3k94 n ASP 77 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3k94 s LYS 78 N -1.43 0.11 0.68 -1.24 1.02 -1.16 -5.16 119.74 112.55 3k94 s LYS 78 Ca 0.00 -0.17 -0.11 0.00 0.02 0.00 0.00 55.97 55.70 3k94 s LYS 78 Cb 0.00 0.04 -0.00 0.00 -0.52 0.00 0.00 37.83 37.35 3k94 s LYS 78 CO 0.00 -0.02 1.07 0.95 -0.92 0.00 0.00 175.35 176.43 3k94 s THR 79 N -0.44 3.93 0.00 2.17 -4.23 -1.26 -4.47 115.64 111.34 3k94 s THR 79 Ca -0.05 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 3k94 s THR 79 Cb -0.03 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.20 3k94 s THR 79 CO -0.00 -0.82 0.42 0.47 -0.54 0.00 0.00 174.62 174.15 3k94 n ASP 80 N -2.92 1.21 0.00 3.99 8.00 -1.26 -2.11 116.55 123.46 3k94 n ASP 80 Ca 0.07 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.67 3k94 n ASP 80 Cb 0.56 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 3k94 n ASP 80 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3k94 n GLU 82 N 1.13 0.00 -0.23 -1.24 2.13 -1.26 -1.63 120.64 119.54 3k94 n GLU 82 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 3k94 n GLU 82 Cb 0.16 0.00 0.15 0.00 0.27 0.00 0.00 31.44 32.03 3k94 n GLU 82 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 3k94 h ILE 83 N 0.00 1.23 -0.25 6.31 3.07 -1.79 0.30 117.51 126.39 3k94 h ILE 83 Ca 0.00 -0.69 0.00 0.00 1.55 0.00 0.00 64.86 65.73 3k94 h ILE 83 Cb 0.00 0.33 -0.01 0.00 -0.27 0.00 0.00 36.82 36.87 3k94 h ILE 83 CO 0.00 0.29 0.16 0.00 -1.05 0.00 0.00 178.15 177.55 3k94 h ALA 84 N 1.33 0.31 -0.42 0.16 0.00 -1.58 -2.09 119.26 116.97 3k94 h ALA 84 Ca 0.25 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3k94 h ALA 84 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3k94 h ALA 84 CO -0.03 -0.21 -0.10 1.25 0.00 0.00 0.00 179.25 180.16 3k94 h LEU 85 N 0.33 0.82 -1.00 0.00 5.85 -1.68 -0.27 115.31 119.36 3k94 h LEU 85 Ca 0.09 -0.36 0.20 0.00 0.84 0.00 0.00 57.88 58.65 3k94 h LEU 85 Cb -0.03 -0.22 -0.11 0.00 0.37 0.00 0.00 40.66 40.67 3k94 h LEU 85 CO -0.02 0.99 0.61 0.44 -0.34 0.00 0.00 178.44 180.12 3k94 h ASP 86 N 0.64 0.77 0.11 1.25 3.32 -0.26 -0.38 116.42 121.87 3k94 h ASP 86 Ca 0.11 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3k94 h ASP 86 Cb 0.63 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3k94 h ASP 86 CO 0.04 0.24 -0.05 -0.25 -1.72 0.00 0.00 179.24 177.50 3k94 h TRP 87 N 0.73 -0.13 -0.83 4.55 7.01 -0.99 -3.32 115.95 122.96 3k94 h TRP 87 Ca 0.59 -0.00 0.21 0.00 2.11 0.00 0.00 58.89 61.80 3k94 h TRP 87 Cb 0.96 0.04 -0.14 0.00 -2.10 0.00 0.00 29.16 27.93 3k94 h TRP 87 CO -0.01 0.37 0.16 0.00 -2.79 0.00 0.00 178.44 176.18 3k94 h ALA 88 N -0.16 1.10 0.00 2.65 0.00 -0.39 0.22 119.26 122.68 3k94 h ALA 88 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3k94 h ALA 88 Cb 0.57 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3k94 h ALA 88 CO 0.02 -0.44 0.00 1.33 0.00 0.00 0.00 179.25 180.17 3k94 n VAL 89 N -5.26 0.57 1.10 0.00 0.24 -0.21 -1.58 118.33 113.19 3k94 n VAL 89 Ca 0.18 0.14 0.12 0.00 -2.04 0.00 0.00 64.34 62.74 3k94 n VAL 89 Cb 0.60 -0.95 0.16 0.00 -1.47 0.00 0.00 33.84 32.17 3k94 n VAL 89 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3k94 n GLU 90 N -1.23 0.91 -0.01 7.34 1.02 0.07 -4.45 120.64 124.29 3k94 n GLU 90 Ca 0.06 -0.67 0.14 0.00 -0.02 0.00 0.00 57.16 56.67 3k94 n GLU 90 Cb 0.08 -1.49 0.46 0.00 -0.02 0.00 0.00 31.44 30.47 3k94 n GLU 90 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3k94 n GLN 91 N -0.46 1.77 -3.65 3.49 1.13 -0.61 -4.95 117.38 114.09 3k94 n GLN 91 Ca 0.10 -1.12 -0.20 0.00 -1.94 0.00 0.00 57.00 53.84 3k94 n GLN 91 Cb 0.40 -1.47 0.04 0.00 0.11 0.00 0.00 30.24 29.32 3k94 n GLN 91 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3k94 n THR 92 N 0.36 -4.79 -3.03 5.09 -2.24 -1.26 -4.99 114.28 103.42 3k94 n THR 92 Ca 0.18 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 61.13 3k94 n THR 92 Cb 0.39 -4.03 -0.06 0.00 -2.10 0.00 0.00 70.33 64.53 3k94 n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k94 s ALA 93 N -3.61 3.24 -1.84 6.98 0.00 -1.26 -5.02 121.76 120.25 3k94 s ALA 93 Ca 0.00 0.17 0.21 0.00 0.00 0.00 0.00 51.96 52.35 3k94 s ALA 93 Cb -0.00 -2.90 1.22 0.00 0.00 0.00 0.00 23.12 21.43 3k94 s ALA 93 CO 0.80 0.27 1.66 -2.13 0.00 0.00 0.00 175.76 176.35 3k94 n ARG 94 N -0.38 0.56 -3.67 0.00 0.63 -1.26 -4.95 116.66 107.60 3k94 n ARG 94 Ca 0.04 0.03 -0.08 0.00 -0.92 0.00 0.00 57.85 56.92 3k94 n ARG 94 Cb 0.53 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.85 3k94 n ARG 94 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3k94 s ILE 96 N -2.16 -0.24 -0.07 5.15 1.01 -0.49 -4.80 121.20 119.59 3k94 s ILE 96 Ca 0.29 0.07 0.05 0.00 0.00 0.00 0.00 60.65 61.05 3k94 s ILE 96 Cb 0.15 -0.78 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 3k94 s ILE 96 CO 0.27 0.03 -0.22 -0.13 0.00 0.00 0.00 174.94 174.89 3k94 s ARG 97 N 1.86 2.72 -0.25 2.79 0.52 -0.40 -0.31 118.95 125.87 3k94 s ARG 97 Ca -0.08 -0.85 -0.07 0.00 -0.52 0.00 0.00 55.73 54.21 3k94 s ARG 97 Cb -0.08 -2.27 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 3k94 s ARG 97 CO -0.16 0.37 0.08 -0.51 0.02 0.00 0.00 175.30 175.10 3k94 s LEU 98 N -0.11 3.49 0.27 2.53 1.43 0.46 -0.62 118.68 126.14 3k94 s LEU 98 Ca -0.04 -0.23 0.08 0.00 -1.03 0.00 0.00 54.13 52.90 3k94 s LEU 98 Cb -0.14 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3k94 s LEU 98 CO 0.04 -0.05 0.12 -0.36 0.23 0.00 0.00 176.35 176.33 3k94 s PHE 99 N 1.61 2.90 -1.87 0.29 0.40 0.67 -1.10 117.98 120.89 3k94 s PHE 99 Ca 0.06 -0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 3k94 s PHE 99 Cb -0.15 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.02 3k94 s PHE 99 CO 0.04 0.53 0.00 0.41 0.70 0.00 0.00 175.22 176.90 3k94 n GLY 100 N -1.07 0.12 0.78 4.36 0.00 -1.26 -0.88 105.19 107.23 3k94 n GLY 100 Ca -0.07 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.01 3k94 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k94 n ALA 101 N -1.17 2.31 -2.51 4.61 0.00 -1.26 -1.44 120.51 121.04 3k94 n ALA 101 Ca -0.24 -1.01 -0.24 0.00 0.00 0.00 0.00 53.44 51.95 3k94 n ALA 101 Cb 0.68 -0.56 -0.11 0.00 0.00 0.00 0.00 19.45 19.47 3k94 n ALA 101 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3k94 s THR 102 N -1.08 1.84 0.00 0.00 -4.23 -1.26 -4.16 115.64 106.74 3k94 s THR 102 Ca 0.27 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 3k94 s THR 102 Cb 0.15 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.29 3k94 s THR 102 CO 0.20 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 3k94 n GLY 103 N -0.76 -0.92 7.00 3.99 0.00 -1.26 -4.14 105.19 109.10 3k94 n GLY 103 Ca -0.05 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3k94 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k94 n GLY 104 N -0.83 1.80 3.67 -0.02 0.00 -1.26 -4.67 105.19 103.89 3k94 n GLY 104 Ca 0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3k94 n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k94 s ARG 105 N 0.00 4.25 0.45 1.61 0.52 -1.26 -4.90 118.95 119.62 3k94 s ARG 105 Ca 0.00 1.91 0.21 0.00 -0.52 0.00 0.00 55.73 57.33 3k94 s ARG 105 Cb 0.00 -3.73 1.09 0.00 0.52 0.00 0.00 34.95 32.84 3k94 s ARG 105 CO 0.00 -0.67 1.95 -0.07 0.02 0.00 0.00 175.30 176.53 3k94 h LEU 106 N 9.19 0.00 -2.16 2.53 3.38 -2.02 -2.31 115.31 123.92 3k94 h LEU 106 Ca -0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3k94 h LEU 106 Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3k94 h LEU 106 CO 0.93 0.22 -0.06 -2.24 0.09 0.00 0.00 178.44 177.39 3k94 h ASP 107 N 0.00 0.00 0.00 -0.43 2.03 -1.96 -1.31 116.42 114.76 3k94 h ASP 107 Ca -0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3k94 h ASP 107 Cb 0.50 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.00 3k94 h ASP 107 CO 0.03 0.06 -0.00 0.45 -1.03 0.00 0.00 179.24 178.75 3k94 h HIS 108 N 0.00 -0.00 -0.66 4.15 3.86 -1.78 -0.41 115.15 120.31 3k94 h HIS 108 Ca -0.00 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3k94 h HIS 108 Cb 0.15 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 3k94 h HIS 108 CO 0.00 0.31 0.43 1.25 0.86 0.00 0.00 177.93 180.78 3k94 h LEU 109 N -0.32 0.72 -0.46 2.43 5.85 -1.53 -0.49 115.31 121.51 3k94 h LEU 109 Ca -0.00 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 3k94 h LEU 109 Cb 0.32 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3k94 h LEU 109 CO 0.00 0.51 -0.62 -0.26 -0.34 0.00 0.00 178.44 177.73 3k94 h PHE 110 N 0.86 0.68 -0.54 1.25 0.04 -1.24 -0.28 116.94 117.70 3k94 h PHE 110 Ca 0.25 -0.26 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3k94 h PHE 110 Cb -0.05 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 3k94 h PHE 110 CO -0.04 1.01 0.27 0.78 -0.60 0.00 0.00 178.31 179.74 3k94 h GLY 111 N 1.09 0.82 1.09 -1.45 0.00 -0.92 -1.63 103.07 102.08 3k94 h GLY 111 Ca -0.01 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 46.94 3k94 h GLY 111 CO 0.11 0.37 0.61 3.43 0.00 0.00 0.00 176.54 181.07 3k94 h ASN 112 N 0.72 1.06 -0.59 0.19 2.35 -0.65 -2.10 115.58 116.57 3k94 h ASN 112 Ca 0.19 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 3k94 h ASN 112 Cb 0.09 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 3k94 h ASN 112 CO -0.03 0.77 0.15 0.58 -1.65 0.00 0.00 177.43 177.26 3k94 h VAL 113 N 1.25 1.24 -0.36 2.81 2.07 -0.75 -2.30 116.25 120.22 3k94 h VAL 113 Ca 0.34 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3k94 h VAL 113 Cb -0.14 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3k94 h VAL 113 CO -0.07 0.34 0.17 -0.33 0.02 0.00 0.00 177.57 177.70 3k94 h GLU 114 N 0.93 0.50 -0.33 1.57 4.39 -0.70 -1.12 114.58 119.82 3k94 h GLU 114 Ca 0.20 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 3k94 h GLU 114 Cb 0.33 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3k94 h GLU 114 CO 0.00 0.39 0.12 -0.07 -1.16 0.00 0.00 179.01 178.29 3k94 h LEU 115 N 0.50 0.47 -0.86 1.33 3.38 -0.87 0.10 115.31 119.36 3k94 h LEU 115 Ca 0.13 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3k94 h LEU 115 Cb 0.06 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 3k94 h LEU 115 CO -0.02 0.53 0.53 -0.07 0.09 0.00 0.00 178.44 179.50 3k94 h LEU 116 N 0.38 0.82 -0.44 1.67 4.07 -0.88 -1.31 115.31 119.62 3k94 h LEU 116 Ca 0.11 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.05 3k94 h LEU 116 Cb 0.22 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 3k94 h LEU 116 CO -0.01 0.51 0.11 -0.07 -1.08 0.00 0.00 178.44 177.90 3k94 h LEU 117 N 0.95 0.67 -0.98 1.67 3.38 -0.90 0.34 115.31 120.44 3k94 h LEU 117 Ca 0.39 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 58.21 3k94 h LEU 117 Cb 0.21 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 3k94 h LEU 117 CO -0.19 0.73 0.62 0.50 0.09 0.00 0.00 178.44 180.19 3k94 h LYS 118 N 0.58 1.05 -0.91 1.13 3.64 -0.39 -2.12 116.57 119.53 3k94 h LYS 118 Ca 0.14 -0.06 -0.62 0.00 -1.27 0.00 0.00 60.65 58.83 3k94 h LYS 118 Cb 0.32 -0.24 -0.32 0.00 -0.41 0.00 0.00 32.23 31.58 3k94 h LYS 118 CO 0.00 0.69 0.39 0.66 -2.27 0.00 0.00 179.45 178.93 3k94 n TYR 119 N -4.57 3.04 0.15 1.91 4.01 -0.53 -4.77 117.16 116.40 3k94 n TYR 119 Ca 0.16 -2.73 0.18 0.00 -0.16 0.00 0.00 57.90 55.34 3k94 n TYR 119 Cb 0.24 -1.12 0.78 0.00 -0.31 0.00 0.00 39.34 38.94 3k94 n TYR 119 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k94 h ALA 120 N 1.98 1.99 -0.00 -0.72 0.00 -0.22 0.39 119.26 122.67 3k94 h ALA 120 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3k94 h ALA 120 Cb 1.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3k94 h ALA 120 CO 1.32 -0.41 -0.02 -0.40 0.00 0.00 0.00 179.25 179.74 3k94 n ASP 121 N -3.92 0.13 -4.83 0.00 5.75 -1.26 -4.37 116.55 108.06 3k94 n ASP 121 Ca 0.04 -0.49 -0.31 0.00 -0.01 0.00 0.00 54.79 54.02 3k94 n ASP 121 Cb 0.42 -0.16 -0.06 0.00 -1.03 0.00 0.00 41.12 40.29 3k94 n ASP 121 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3k94 s ARG 122 N -2.39 3.12 -0.93 0.11 1.81 0.12 -5.04 118.95 115.75 3k94 s ARG 122 Ca 0.34 -0.57 -0.24 0.00 -1.72 0.00 0.00 55.73 53.53 3k94 s ARG 122 Cb 0.21 -2.86 0.02 0.00 -0.45 0.00 0.00 34.95 31.86 3k94 s ARG 122 CO 0.44 0.59 1.58 -2.14 -0.68 0.00 0.00 175.30 175.09 3k94 s PRO 123 N -2.39 3.21 -0.04 3.54 0.02 -1.26 -4.95 135.00 133.13 3k94 s PRO 123 Ca 0.31 -0.68 0.04 0.00 0.02 0.00 0.00 61.00 60.69 3k94 s PRO 123 Cb -0.12 -5.06 -0.00 0.00 0.02 0.00 0.00 34.50 29.33 3k94 s PRO 123 CO 0.24 -2.53 -0.15 0.42 -0.33 0.00 0.00 177.00 174.64 3k94 s ILE 124 N 6.63 1.30 -0.03 2.83 1.01 -1.26 -1.40 121.20 130.29 3k94 s ILE 124 Ca 0.52 -0.64 0.07 0.00 0.00 0.00 0.00 60.65 60.60 3k94 s ILE 124 Cb -0.04 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 3k94 s ILE 124 CO -0.02 0.38 -0.22 -1.61 0.00 0.00 0.00 174.94 173.46 3k94 s GLU 125 N 0.12 2.22 -0.15 2.79 2.02 0.57 -4.63 118.70 121.64 3k94 s GLU 125 Ca -0.05 -0.86 -0.16 0.00 0.02 0.00 0.00 54.97 53.92 3k94 s GLU 125 Cb -0.11 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 3k94 s GLU 125 CO 0.02 0.58 0.38 0.42 0.02 0.00 0.00 175.26 176.68 3k94 s ILE 126 N -0.66 5.25 -0.05 -1.63 1.01 -0.08 -0.41 121.20 124.63 3k94 s ILE 126 Ca 0.11 0.74 0.02 0.00 0.00 0.00 0.00 60.65 61.52 3k94 s ILE 126 Cb -0.10 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.66 3k94 s ILE 126 CO -0.00 0.35 -0.11 -0.69 0.00 0.00 0.00 174.94 174.49 3k94 s VAL 127 N 0.61 0.98 0.23 2.92 1.01 -0.26 -0.28 120.40 125.62 3k94 s VAL 127 Ca 0.21 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.81 3k94 s VAL 127 Cb -0.14 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 3k94 s VAL 127 CO 0.07 0.31 0.13 -0.90 0.00 0.00 0.00 175.10 174.71 3k94 n ASP 128 N 3.63 0.35 0.21 3.32 5.68 -0.70 -4.29 116.55 124.75 3k94 n ASP 128 Ca -0.22 -2.36 0.11 0.00 -0.50 0.00 0.00 54.79 51.82 3k94 n ASP 128 Cb 0.52 0.84 0.60 0.00 -1.14 0.00 0.00 41.12 41.94 3k94 n ASP 128 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 3k94 h ARG 129 N 0.00 0.00 0.00 0.11 0.11 -0.91 -2.98 114.38 110.71 3k94 h ARG 129 Ca -0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.91 3k94 h ARG 129 Cb 0.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.83 3k94 h ARG 129 CO 0.26 0.00 0.00 1.04 0.10 0.00 0.00 179.97 181.37 3k94 n GLN 130 N -2.36 -0.03 -3.79 0.08 6.02 -1.26 -4.94 117.38 111.10 3k94 n GLN 130 Ca -0.01 -0.21 -0.12 0.00 -0.01 0.00 0.00 57.00 56.64 3k94 n GLN 130 Cb 0.20 -0.68 -0.08 0.00 1.02 0.00 0.00 30.24 30.70 3k94 n GLN 130 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3k94 s ASN 131 N -0.06 -0.11 -0.07 1.08 0.01 -1.13 -1.18 114.94 113.49 3k94 s ASN 131 Ca 0.00 -0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.06 3k94 s ASN 131 Cb 0.00 0.31 0.02 0.00 0.41 0.00 0.00 41.25 41.99 3k94 s ASN 131 CO 0.00 -0.50 -0.06 0.54 -1.51 0.00 0.00 177.10 175.57 3k94 s VAL 132 N -1.85 0.74 -0.07 1.60 0.11 -0.20 -1.72 120.40 119.01 3k94 s VAL 132 Ca -0.10 -0.18 0.05 0.00 -2.93 0.00 0.00 61.98 58.82 3k94 s VAL 132 Cb -0.04 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 3k94 s VAL 132 CO 0.01 0.29 -0.23 -0.22 -3.33 0.00 0.00 175.10 171.62 3k94 s LEU 133 N 1.27 2.19 0.04 2.54 0.20 0.62 -1.81 118.68 123.72 3k94 s LEU 133 Ca -0.05 -0.48 -0.05 0.00 0.69 0.00 0.00 54.13 54.25 3k94 s LEU 133 Cb -0.14 -1.42 -0.01 0.00 -0.43 0.00 0.00 46.19 44.19 3k94 s LEU 133 CO -0.02 0.23 0.08 0.42 -0.29 0.00 0.00 176.35 176.77 3k94 s THR 134 N -0.08 0.13 0.12 3.68 -4.23 -1.26 -0.90 115.64 113.09 3k94 s THR 134 Ca -0.05 -1.10 0.09 0.00 -1.18 0.00 0.00 61.69 59.45 3k94 s THR 134 Cb -0.14 -0.86 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 3k94 s THR 134 CO 0.04 -0.60 -0.21 0.68 -0.54 0.00 0.00 174.62 173.99 3k94 s VAL 135 N -2.53 1.79 0.01 2.29 -7.23 -1.26 -4.70 120.40 108.76 3k94 s VAL 135 Ca -0.06 -1.63 -0.00 0.00 -1.81 0.00 0.00 61.98 58.48 3k94 s VAL 135 Cb -0.02 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.26 3k94 s VAL 135 CO -0.04 -0.09 -0.01 -1.00 -0.31 0.00 0.00 175.10 173.65 3k94 s HIS 136 N -1.31 0.11 0.53 2.82 3.76 0.25 -4.92 115.29 116.53 3k94 s HIS 136 Ca 0.09 -0.22 0.03 0.00 -0.15 0.00 0.00 55.06 54.81 3k94 s HIS 136 Cb -0.09 -0.08 0.03 0.00 1.11 0.00 0.00 32.58 33.55 3k94 s HIS 136 CO 0.05 -0.09 0.73 -0.51 -0.85 0.00 0.00 174.74 174.07 3k94 s LEU 137 N -0.66 3.35 0.50 0.89 1.43 -1.26 -1.52 118.68 121.41 3k94 s LEU 137 Ca -0.07 -0.11 -0.22 0.00 -1.03 0.00 0.00 54.13 52.69 3k94 s LEU 137 Cb -0.04 -2.80 -0.08 0.00 0.03 0.00 0.00 46.19 43.30 3k94 s LEU 137 CO -0.00 -1.08 1.07 -2.65 0.23 0.00 0.00 176.35 173.92 3k94 n PRO 138 N -2.25 1.32 -3.00 1.29 -0.02 -1.25 -4.89 135.00 126.21 3k94 n PRO 138 Ca 0.08 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3k94 n PRO 138 Cb 0.60 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3k94 n PRO 138 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k94 n GLY 139 N 1.12 -0.89 3.35 -1.23 0.00 -0.91 -5.00 105.19 101.63 3k94 n GLY 139 Ca 0.10 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 3k94 n GLY 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k94 s THR 140 N -2.67 2.55 0.05 2.61 2.01 -1.26 -2.35 115.64 116.58 3k94 s THR 140 Ca 0.00 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.15 3k94 s THR 140 Cb 0.00 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 3k94 s THR 140 CO 0.00 0.57 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.07 3k94 s TYR 141 N -0.25 1.04 0.37 4.92 2.02 0.07 -5.00 117.35 120.52 3k94 s TYR 141 Ca -0.00 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.25 3k94 s TYR 141 Cb -0.13 -0.60 -0.04 0.00 -0.40 0.00 0.00 41.96 40.78 3k94 s TYR 141 CO 0.03 0.01 0.62 0.95 -1.57 0.00 0.00 175.55 175.60 3k94 s THR 142 N -1.10 5.01 0.35 -0.71 -4.23 -1.26 -1.55 115.64 112.15 3k94 s THR 142 Ca -0.03 -0.07 0.06 0.00 -1.18 0.00 0.00 61.69 60.47 3k94 s THR 142 Cb -0.09 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.91 3k94 s THR 142 CO 0.01 -0.56 0.23 -0.69 -0.54 0.00 0.00 174.62 173.07 3k94 s VAL 143 N -2.36 0.17 -0.09 2.29 1.01 0.19 -4.87 120.40 116.74 3k94 s VAL 143 Ca 0.44 -2.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.27 3k94 s VAL 143 Cb -0.10 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 3k94 s VAL 143 CO 0.36 0.00 0.36 -0.47 0.00 0.00 0.00 175.10 175.35 3k94 s TYR 145 N -3.40 3.58 -0.10 5.22 5.04 -0.54 -0.76 117.35 126.40 3k94 s TYR 145 Ca 0.35 0.79 -0.04 0.00 -2.44 0.00 0.00 57.07 55.73 3k94 s TYR 145 Cb 0.02 -2.33 0.05 0.00 0.35 0.00 0.00 41.96 40.05 3k94 s TYR 145 CO 0.23 0.40 0.18 0.34 -1.34 0.00 0.00 175.55 175.36 3k94 s ASP 146 N -0.15 0.72 0.54 4.32 -1.08 -1.26 -5.03 116.67 114.72 3k94 s ASP 146 Ca 0.21 0.35 0.24 0.00 -0.52 0.00 0.00 52.55 52.83 3k94 s ASP 146 Cb -0.15 0.35 1.42 0.00 -1.46 0.00 0.00 42.92 43.09 3k94 s ASP 146 CO 0.08 -0.25 2.03 0.00 0.52 0.00 0.00 175.17 177.56 3k94 h ALA 147 N 8.35 2.29 0.00 3.66 0.00 -2.04 -1.87 119.26 129.66 3k94 h ALA 147 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3k94 h ALA 147 Cb 1.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3k94 h ALA 147 CO 0.15 -0.49 0.00 0.54 0.00 0.00 0.00 179.25 179.45 3k94 n ARG 148 N -4.28 0.15 -3.78 0.00 1.74 -1.26 -4.73 116.66 104.49 3k94 n ARG 148 Ca 0.06 0.35 -0.19 0.00 -0.77 0.00 0.00 57.85 57.31 3k94 n ARG 148 Cb 0.48 -1.77 -0.17 0.00 -1.02 0.00 0.00 32.46 29.98 3k94 n ARG 148 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3k94 s TYR 149 N -3.22 0.26 -0.15 -1.55 2.02 -0.70 -4.31 117.35 109.70 3k94 s TYR 149 Ca 0.06 0.07 0.17 0.00 -0.37 0.00 0.00 57.07 57.00 3k94 s TYR 149 Cb 0.10 -0.50 -0.24 0.00 -0.40 0.00 0.00 41.96 40.92 3k94 s TYR 149 CO 0.38 -0.19 0.25 0.00 -1.57 0.00 0.00 175.55 174.42 3k94 s TYR 151 N -2.56 2.99 -0.05 0.00 2.02 -0.63 -4.61 117.35 114.51 3k94 s TYR 151 Ca -0.08 0.02 0.03 0.00 -0.37 0.00 0.00 57.07 56.66 3k94 s TYR 151 Cb 0.07 -1.63 0.01 0.00 -0.40 0.00 0.00 41.96 40.01 3k94 s TYR 151 CO 0.83 0.43 -0.12 0.08 -1.57 0.00 0.00 175.55 175.20 3k94 s VAL 152 N -1.08 1.08 -0.01 0.71 1.01 -0.71 -0.99 120.40 120.41 3k94 s VAL 152 Ca 0.19 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.73 3k94 s VAL 152 Cb -0.11 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 3k94 s VAL 152 CO 0.10 0.33 -0.12 -0.44 0.00 0.00 0.00 175.10 174.98 3k94 s SER 153 N 0.41 1.39 -0.11 3.32 0.01 0.68 -0.33 113.70 119.06 3k94 s SER 153 Ca -0.09 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 56.97 3k94 s SER 153 Cb -0.13 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 3k94 s SER 153 CO 0.02 0.14 -0.19 -0.31 0.41 0.00 0.00 173.24 173.31 3k94 s TYR 154 N -0.31 2.66 -0.09 2.43 2.02 0.17 -0.75 117.35 123.49 3k94 s TYR 154 Ca 0.04 -0.86 0.01 0.00 -0.37 0.00 0.00 57.07 55.89 3k94 s TYR 154 Cb -0.05 -1.76 0.02 0.00 -0.40 0.00 0.00 41.96 39.77 3k94 s TYR 154 CO -0.00 -0.32 -0.09 0.42 -1.57 0.00 0.00 175.55 173.98 3k94 s ILE 155 N 0.31 1.04 0.14 2.71 1.01 -1.26 -0.38 121.20 124.77 3k94 s ILE 155 Ca -0.15 -0.36 -0.31 0.00 0.00 0.00 0.00 60.65 59.83 3k94 s ILE 155 Cb -0.17 -1.01 -0.08 0.00 0.01 0.00 0.00 42.46 41.21 3k94 s ILE 155 CO 0.07 0.35 1.35 -2.16 0.00 0.00 0.00 174.94 174.55 3k94 s PRO 156 N 1.19 4.35 -0.20 2.79 0.04 -1.26 -4.62 135.00 137.29 3k94 s PRO 156 Ca -0.05 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 62.93 3k94 s PRO 156 Cb -0.14 -3.24 -0.20 0.00 0.04 0.00 0.00 34.50 30.96 3k94 s PRO 156 CO -0.02 -0.36 0.07 0.28 0.04 0.00 0.00 177.00 177.00 3k94 n VAL 157 N 3.51 1.61 -1.56 -0.36 0.31 0.61 -4.92 118.33 117.52 3k94 n VAL 157 Ca 0.09 -0.43 -0.30 0.00 -0.01 0.00 0.00 64.34 63.70 3k94 n VAL 157 Cb 0.43 -1.77 0.09 0.00 -0.91 0.00 0.00 33.84 31.68 3k94 n VAL 157 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3k94 s SER 158 N -6.97 4.47 0.34 4.52 1.04 -1.03 -4.96 113.70 111.12 3k94 s SER 158 Ca -0.30 1.28 0.04 0.00 0.48 0.00 0.00 55.95 57.45 3k94 s SER 158 Cb 0.08 -2.01 0.67 0.00 0.10 0.00 0.00 66.02 64.86 3k94 s SER 158 CO 0.64 -1.98 1.95 -0.08 0.98 0.00 0.00 173.24 174.75 3k94 h GLU 159 N -1.10 0.82 -4.29 4.02 4.57 -1.92 -3.41 114.58 113.27 3k94 h GLU 159 Ca -0.47 -0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 57.48 3k94 h GLU 159 Cb 1.27 -0.19 -0.18 0.00 -0.16 0.00 0.00 28.75 29.50 3k94 h GLU 159 CO 0.60 0.55 -0.70 0.95 -1.18 0.00 0.00 179.01 179.22 3k94 s THR 160 N -5.75 0.33 -0.13 0.32 -4.23 -1.26 -0.86 115.64 104.06 3k94 s THR 160 Ca -0.10 -1.45 -0.01 0.00 -1.18 0.00 0.00 61.69 58.94 3k94 s THR 160 Cb 0.19 -1.04 0.04 0.00 1.34 0.00 0.00 72.50 73.03 3k94 s THR 160 CO 0.78 -0.73 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.42 3k94 s VAL 161 N -2.74 0.73 0.19 2.29 1.01 0.47 -4.28 120.40 118.06 3k94 s VAL 161 Ca -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 3k94 s VAL 161 Cb -0.01 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 3k94 s VAL 161 CO -0.05 0.14 0.39 0.00 0.00 0.00 0.00 175.10 175.58 3k94 s ALA 162 N 1.81 3.82 -1.53 5.51 0.00 -0.87 -1.46 121.76 129.04 3k94 s ALA 162 Ca 0.03 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.14 3k94 s ALA 162 Cb -0.14 -2.03 0.07 0.00 0.00 0.00 0.00 23.12 21.02 3k94 s ALA 162 CO -0.07 0.49 0.59 0.39 0.00 0.00 0.00 175.76 177.16 3k94 n GLU 163 N -0.48 -3.35 -2.09 0.00 1.02 -1.26 -1.34 120.64 113.13 3k94 n GLU 163 Ca -0.04 0.40 -0.42 0.00 -0.02 0.00 0.00 57.16 57.08 3k94 n GLU 163 Cb 0.53 -4.79 -0.03 0.00 -0.02 0.00 0.00 31.44 27.13 3k94 n GLU 163 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3k94 s PHE 164 N -3.67 2.84 -0.02 -0.32 5.36 -1.26 -4.06 117.98 116.85 3k94 s PHE 164 Ca 0.33 0.68 0.00 0.00 -0.96 0.00 0.00 56.93 56.99 3k94 s PHE 164 Cb -0.18 -3.78 0.02 0.00 -0.34 0.00 0.00 43.02 38.74 3k94 s PHE 164 CO 0.90 -2.95 0.01 0.99 -1.46 0.00 0.00 175.22 172.71 3k94 s THR 165 N 2.03 0.09 0.02 0.12 2.01 -0.01 -1.96 115.64 117.94 3k94 s THR 165 Ca 0.68 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.85 3k94 s THR 165 Cb -0.36 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 3k94 s THR 165 CO 0.30 0.11 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.40 3k94 s LEU 166 N 0.89 2.58 -0.01 4.42 1.43 0.72 -1.30 118.68 127.42 3k94 s LEU 166 Ca -0.08 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 3k94 s LEU 166 Cb -0.12 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 3k94 s LEU 166 CO -0.02 0.28 -0.16 0.42 0.23 0.00 0.00 176.35 177.10 3k94 s THR 167 N -0.86 1.27 0.00 5.49 -4.23 -0.55 -4.24 115.64 112.51 3k94 s THR 167 Ca 0.14 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 3k94 s THR 167 Cb -0.10 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.67 3k94 s THR 167 CO 0.04 0.33 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 3k94 n GLY 168 N 2.62 0.76 3.85 3.99 0.00 -1.26 -1.78 105.19 113.36 3k94 n GLY 168 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 3k94 n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k94 s PHE 169 N -2.35 3.05 0.13 1.61 0.40 -1.26 -0.50 117.98 119.07 3k94 s PHE 169 Ca 0.00 -0.18 -0.22 0.00 -0.60 0.00 0.00 56.93 55.94 3k94 s PHE 169 Cb 0.00 -1.57 -0.01 0.00 0.51 0.00 0.00 43.02 41.95 3k94 s PHE 169 CO 0.00 0.38 1.67 -0.22 0.70 0.00 0.00 175.22 177.75 3k94 h LYS 170 N 1.37 -0.16 -5.09 0.44 3.64 -1.31 -3.40 116.57 112.06 3k94 h LYS 170 Ca -0.47 0.01 -0.64 0.00 -1.27 0.00 0.00 60.65 58.28 3k94 h LYS 170 Cb 1.24 0.04 -0.20 0.00 -0.41 0.00 0.00 32.23 32.90 3k94 h LYS 170 CO 0.60 -0.11 -0.60 0.71 -2.27 0.00 0.00 179.45 177.78 3k94 s TYR 171 N -6.15 3.15 0.26 1.91 2.02 -1.26 -5.06 117.35 112.22 3k94 s TYR 171 Ca -0.14 -0.19 -0.16 0.00 -0.37 0.00 0.00 57.07 56.20 3k94 s TYR 171 Cb 0.11 -2.17 -0.08 0.00 -0.40 0.00 0.00 41.96 39.42 3k94 s TYR 171 CO 0.68 -0.13 0.70 -1.25 -1.57 0.00 0.00 175.55 173.97 3k94 s PRO 172 N 1.07 4.07 -0.01 -1.71 0.04 -1.26 -4.98 135.00 132.22 3k94 s PRO 172 Ca 0.04 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.77 3k94 s PRO 172 Cb -0.14 -2.66 0.02 0.00 0.04 0.00 0.00 34.50 31.75 3k94 s PRO 172 CO 0.03 0.29 0.01 -0.51 0.04 0.00 0.00 177.00 176.86 3k94 s LEU 173 N -2.50 1.49 -0.04 -3.56 1.43 -1.26 -5.01 118.68 109.24 3k94 s LEU 173 Ca 0.48 0.00 -0.01 0.00 -1.03 0.00 0.00 54.13 53.58 3k94 s LEU 173 Cb -0.13 -0.08 0.03 0.00 0.03 0.00 0.00 46.19 46.03 3k94 s LEU 173 CO 0.19 -0.06 0.02 -0.89 0.23 0.00 0.00 176.35 175.84 3k94 s THR 174 N 0.59 0.08 0.07 5.49 2.01 -1.26 -0.20 115.64 122.42 3k94 s THR 174 Ca -0.05 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.17 3k94 s THR 174 Cb -0.08 -0.24 0.00 0.00 0.01 0.00 0.00 72.50 72.19 3k94 s THR 174 CO -0.01 0.17 0.00 0.59 -0.69 0.00 0.00 174.62 174.67 3k94 n ASN 175 N 4.67 -3.55 -3.72 3.53 4.13 -0.83 -4.94 115.26 114.56 3k94 n ASN 175 Ca -0.16 1.19 -0.13 0.00 1.68 0.00 0.00 54.58 57.16 3k94 n ASN 175 Cb 0.50 -2.93 -0.13 0.00 -1.54 0.00 0.00 39.78 35.68 3k94 n ASN 175 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 3k94 s HIS 177 N -0.21 -0.31 -0.17 3.10 2.46 -1.26 -4.67 115.29 114.23 3k94 s HIS 177 Ca 0.00 0.76 0.00 0.00 0.47 0.00 0.00 55.06 56.30 3k94 s HIS 177 Cb 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 32.58 32.46 3k94 s HIS 177 CO 0.00 -0.24 -0.16 0.42 -2.47 0.00 0.00 174.74 172.28 3k94 s ILE 178 N 1.47 2.50 -0.13 0.89 1.01 -0.54 -5.01 121.20 121.40 3k94 s ILE 178 Ca -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3k94 s ILE 178 Cb -0.11 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 3k94 s ILE 178 CO -0.08 0.52 -0.14 -0.44 0.00 0.00 0.00 174.94 174.80 3k94 s SER 179 N 1.00 3.97 0.43 3.58 0.01 -1.26 -0.40 113.70 121.04 3k94 s SER 179 Ca -0.02 -0.33 -0.25 0.00 1.31 0.00 0.00 55.95 56.66 3k94 s SER 179 Cb -0.15 -1.60 -0.08 0.00 0.21 0.00 0.00 66.02 64.41 3k94 s SER 179 CO -0.04 0.17 1.29 -0.60 0.41 0.00 0.00 173.24 174.47 3k94 s ARG 180 N 0.34 3.83 0.00 12.44 3.52 -0.04 -0.30 118.95 138.74 3k94 s ARG 180 Ca -0.11 2.12 0.00 0.00 -0.13 0.00 0.00 55.73 57.61 3k94 s ARG 180 Cb -0.16 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 3k94 s ARG 180 CO 0.06 -0.59 0.00 0.41 -0.81 0.00 0.00 175.30 174.37 3k94 n GLY 181 N 0.64 2.40 0.10 8.12 0.00 -1.26 -4.65 105.19 110.53 3k94 n GLY 181 Ca 0.05 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 3k94 n GLY 181 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3k94 h SER 182 N 0.00 0.29 -3.49 1.61 0.87 -1.91 -3.40 113.55 107.53 3k94 h SER 182 Ca 0.00 -0.96 -0.72 0.00 -1.23 0.00 0.00 61.79 58.88 3k94 h SER 182 Cb 0.00 -0.10 -0.24 0.00 -0.44 0.00 0.00 62.40 61.63 3k94 h SER 182 CO 0.00 1.23 -0.45 -0.89 -0.53 0.00 0.00 176.83 176.19 3k94 s THR 183 N -2.39 4.84 -0.01 2.23 2.01 0.59 -5.01 115.64 117.89 3k94 s THR 183 Ca -0.16 -0.92 0.11 0.00 0.31 0.00 0.00 61.69 61.03 3k94 s THR 183 Cb -0.00 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 3k94 s THR 183 CO 0.78 -0.36 1.32 -0.07 -0.69 0.00 0.00 174.62 175.60 3k94 h LEU 184 N 8.55 0.00 -7.23 4.42 3.38 -1.84 -3.41 115.31 119.18 3k94 h LEU 184 Ca -0.26 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.40 3k94 h LEU 184 Cb 1.11 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.49 3k94 h LEU 184 CO 0.74 0.78 -0.65 -0.63 0.09 0.00 0.00 178.44 178.76 3k94 s ILE 186 N -2.82 -0.24 0.03 1.22 1.01 0.49 -4.67 121.20 116.22 3k94 s ILE 186 Ca 0.02 0.32 -0.09 0.00 0.00 0.00 0.00 60.65 60.90 3k94 s ILE 186 Cb 0.09 -0.31 -0.05 0.00 0.01 0.00 0.00 42.46 42.20 3k94 s ILE 186 CO 0.79 0.12 0.34 -0.44 0.00 0.00 0.00 174.94 175.74 3k94 s SER 187 N 2.28 6.59 0.32 3.58 0.01 -1.26 -0.65 113.70 124.57 3k94 s SER 187 Ca 0.03 0.71 -0.16 0.00 1.31 0.00 0.00 55.95 57.85 3k94 s SER 187 Cb -0.12 -2.15 0.06 0.00 0.21 0.00 0.00 66.02 64.02 3k94 s SER 187 CO -0.06 0.24 0.80 -3.20 0.41 0.00 0.00 173.24 171.43 3k94 n ASN 188 N 1.18 -2.03 -3.72 2.44 2.85 0.55 -4.95 115.26 111.57 3k94 n ASN 188 Ca -0.11 -2.33 -0.12 0.00 -0.11 0.00 0.00 54.58 51.91 3k94 n ASN 188 Cb 0.53 3.36 -0.12 0.00 1.24 0.00 0.00 39.78 44.79 3k94 n ASN 188 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 3k94 s GLU 189 N -2.07 0.25 -0.15 1.20 2.12 -1.26 -1.74 118.70 117.05 3k94 s GLU 189 Ca 0.17 0.58 -0.29 0.00 0.36 0.00 0.00 54.97 55.78 3k94 s GLU 189 Cb -0.04 -0.08 -0.03 0.00 0.26 0.00 0.00 34.13 34.24 3k94 s GLU 189 CO 0.10 -0.16 1.41 -1.17 -0.54 0.00 0.00 175.26 174.90 3k94 s LEU 190 N 1.23 4.18 -0.21 2.70 2.96 -1.26 -0.81 118.68 127.47 3k94 s LEU 190 Ca -0.09 1.81 -0.05 0.00 -0.22 0.00 0.00 54.13 55.58 3k94 s LEU 190 Cb -0.09 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.86 3k94 s LEU 190 CO -0.09 -0.87 -0.00 -0.38 -1.32 0.00 0.00 176.35 173.68 3k94 n ILE 191 N 5.55 1.60 -1.96 6.68 2.08 0.34 -4.88 119.36 128.78 3k94 n ILE 191 Ca 0.15 -0.53 -0.30 0.00 0.56 0.00 0.00 62.75 62.64 3k94 n ILE 191 Cb 0.44 -1.64 0.20 0.00 -0.75 0.00 0.00 39.64 37.89 3k94 n ILE 191 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 3k94 s GLN 192 N -2.52 0.46 0.49 0.38 -1.52 -0.57 -4.93 119.66 111.46 3k94 s GLN 192 Ca -0.31 -0.52 0.23 0.00 -1.95 0.00 0.00 55.36 52.82 3k94 s GLN 192 Cb 0.09 -1.85 1.27 0.00 -0.22 0.00 0.00 33.01 32.30 3k94 s GLN 192 CO 0.64 -2.51 2.02 1.03 -0.25 0.00 0.00 175.29 176.22 3k94 h SER 193 N -1.70 0.00 -4.99 5.90 0.87 -1.94 -3.43 113.55 108.27 3k94 h SER 193 Ca -0.44 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.16 3k94 h SER 193 Cb 1.22 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.08 3k94 h SER 193 CO 0.34 0.16 0.26 -0.94 -0.53 0.00 0.00 176.83 176.12 3k94 s SER 194 N -6.41 -0.42 0.37 6.23 1.04 -1.26 -1.46 113.70 111.79 3k94 s SER 194 Ca -0.03 -0.22 -0.14 0.00 0.48 0.00 0.00 55.95 56.03 3k94 s SER 194 Cb 0.14 0.61 0.06 0.00 0.10 0.00 0.00 66.02 66.93 3k94 s SER 194 CO 0.62 -1.06 0.75 0.61 0.98 0.00 0.00 173.24 175.15 3k94 n GLY 195 N -0.40 1.03 3.16 7.32 0.00 0.06 -4.61 105.19 111.76 3k94 n GLY 195 Ca -0.11 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 3k94 n GLY 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k94 s THR 196 N -2.15 0.83 0.06 2.61 -4.23 -0.74 -0.64 115.64 111.39 3k94 s THR 196 Ca 0.15 -1.68 0.06 0.00 -1.18 0.00 0.00 61.69 59.04 3k94 s THR 196 Cb -0.05 -1.39 -0.03 0.00 1.34 0.00 0.00 72.50 72.38 3k94 s THR 196 CO 0.11 -0.64 -0.17 0.72 -0.54 0.00 0.00 174.62 174.10 3k94 s PHE 197 N -2.70 1.49 0.06 3.99 -0.71 -0.60 -1.48 117.98 118.03 3k94 s PHE 197 Ca 0.06 -0.38 -0.13 0.00 -1.04 0.00 0.00 56.93 55.43 3k94 s PHE 197 Cb -0.01 -0.87 0.02 0.00 -1.21 0.00 0.00 43.02 40.95 3k94 s PHE 197 CO -0.01 0.08 0.29 -1.54 -1.34 0.00 0.00 175.22 172.71 3k94 s SER 198 N -1.36 -0.10 0.05 1.98 1.04 -0.42 -0.75 113.70 114.15 3k94 s SER 198 Ca 0.04 -0.28 -0.25 0.00 0.48 0.00 0.00 55.95 55.93 3k94 s SER 198 Cb -0.09 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.46 3k94 s SER 198 CO 0.02 -0.66 0.60 0.72 0.98 0.00 0.00 173.24 174.90 3k94 s PHE 199 N -2.90 -0.54 -0.03 5.02 -0.71 -0.99 -0.83 117.98 116.99 3k94 s PHE 199 Ca -0.02 0.64 0.18 0.00 -1.04 0.00 0.00 56.93 56.69 3k94 s PHE 199 Cb 0.00 0.44 -0.28 0.00 -1.21 0.00 0.00 43.02 41.97 3k94 s PHE 199 CO -0.06 -0.70 0.40 -1.13 -1.34 0.00 0.00 175.22 172.39 3k94 n SER 200 N 0.31 0.80 -3.93 1.98 3.41 -0.45 -2.14 113.62 113.61 3k94 n SER 200 Ca -0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.33 3k94 n SER 200 Cb 0.61 1.82 -0.11 0.00 -0.26 0.00 0.00 64.21 66.26 3k94 n SER 200 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3k94 s GLU 201 N -3.26 0.31 0.22 4.33 2.02 -1.24 -4.83 118.70 116.25 3k94 s GLU 201 Ca -0.07 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.50 3k94 s GLU 201 Cb 0.12 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.47 3k94 s GLU 201 CO 0.76 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.39 3k94 n GLY 202 N 1.83 -1.82 2.79 -1.39 0.00 -1.26 -2.04 105.19 103.30 3k94 n GLY 202 Ca -0.21 -1.94 -0.18 0.00 0.00 0.00 0.00 46.02 43.69 3k94 n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k94 s ILE 203 N 0.00 0.12 0.11 -0.61 1.01 -1.26 -3.81 121.20 116.76 3k94 s ILE 203 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.81 3k94 s ILE 203 Cb 0.00 -0.25 -0.00 0.00 0.01 0.00 0.00 42.46 42.22 3k94 s ILE 203 CO 0.00 0.15 0.04 -0.11 0.00 0.00 0.00 174.94 175.02 3k94 n LEU 204 N 4.36 0.00 -3.60 2.97 7.94 -0.58 -0.28 117.00 127.82 3k94 n LEU 204 Ca -0.22 -0.82 -0.02 0.00 -1.11 0.00 0.00 56.01 53.83 3k94 n LEU 204 Cb 0.50 0.27 -0.05 0.00 0.53 0.00 0.00 43.42 44.67 3k94 n LEU 204 CO 0.19 -0.13 0.40 -0.63 -1.11 0.00 0.00 177.39 176.11 3k94 s ILE 207 N -1.92 -0.57 -0.17 1.96 1.01 0.07 -0.58 121.20 121.00 3k94 s ILE 207 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 3k94 s ILE 207 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 3k94 s ILE 207 CO 0.04 0.00 0.01 -0.13 0.00 0.00 0.00 174.94 174.86 3k94 s ARG 208 N 2.36 3.82 0.26 2.79 0.52 -0.75 -0.23 118.95 127.72 3k94 s ARG 208 Ca -0.06 -0.43 0.03 0.00 -0.52 0.00 0.00 55.73 54.74 3k94 s ARG 208 Cb -0.08 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 3k94 s ARG 208 CO -0.18 0.24 0.19 -1.54 0.02 0.00 0.00 175.30 174.03 3k94 s SER 209 N 0.41 0.83 0.16 0.23 1.04 -0.16 -1.04 113.70 115.18 3k94 s SER 209 Ca -0.00 -1.55 -0.03 0.00 0.48 0.00 0.00 55.95 54.84 3k94 s SER 209 Cb -0.13 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 3k94 s SER 209 CO 0.02 -0.94 0.15 -0.55 0.98 0.00 0.00 173.24 172.90 3k94 s SER 210 N -3.26 0.18 0.33 7.02 0.15 -0.32 -1.58 113.70 116.22 3k94 s SER 210 Ca 0.40 -1.16 -0.01 0.00 0.70 0.00 0.00 55.95 55.88 3k94 s SER 210 Cb 0.05 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 3k94 s SER 210 CO 0.19 -0.82 0.44 -0.90 1.20 0.00 0.00 173.24 173.35 3k94 n ASP 211 N -0.18 -1.21 -0.26 5.45 5.68 -1.26 -4.86 116.55 119.91 3k94 n ASP 211 Ca -0.04 -2.83 0.07 0.00 -0.50 0.00 0.00 54.79 51.49 3k94 n ASP 211 Cb 0.64 2.29 0.19 0.00 -1.14 0.00 0.00 41.12 43.10 3k94 n ASP 211 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3k94 h SER 212 N 1.87 -0.15 -0.74 -1.12 4.64 -2.02 0.20 113.55 116.23 3k94 h SER 212 Ca -0.25 0.18 0.08 0.00 -0.47 0.00 0.00 61.79 61.32 3k94 h SER 212 Cb 1.12 0.27 -0.07 0.00 -0.31 0.00 0.00 62.40 63.42 3k94 h SER 212 CO 0.34 -0.12 0.41 -1.28 -0.87 0.00 0.00 176.83 175.32 3k94 h SER 213 N 0.18 0.59 -0.44 4.97 0.87 -2.05 -3.38 113.55 114.29 3k94 h SER 213 Ca 0.43 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.94 3k94 h SER 213 Cb 0.78 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 3k94 h SER 213 CO -0.60 0.36 0.42 0.00 -0.53 0.00 0.00 176.83 176.48 3k94 n LEU 215 N 16.96 0.00 0.00 0.00 -0.00 -1.26 -4.70 117.00 128.01 3k94 n LEU 215 Ca 0.48 -0.21 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 3k94 n LEU 215 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 3k94 n LEU 215 CO 0.62 0.33 0.00 0.18 -0.00 0.00 0.00 177.39 178.52