#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q84 s ASP 5 N 0.00 6.19 0.26 4.31 3.68 -1.26 -4.97 116.67 124.88 1q84 s ASP 5 Ca 0.00 -0.37 0.24 0.00 2.13 0.00 0.00 52.55 54.55 1q84 s ASP 5 Cb 0.00 -2.21 0.99 0.00 -1.45 0.00 0.00 42.92 40.25 1q84 s ASP 5 CO 0.00 -0.43 1.71 -0.81 0.13 0.00 0.00 175.17 175.77 1q84 n PRO 6 N 5.48 0.19 0.23 4.34 -0.04 -1.26 -1.30 135.00 142.64 1q84 n PRO 6 Ca -0.08 0.43 0.11 0.00 -0.04 0.00 0.00 63.50 63.92 1q84 n PRO 6 Cb 0.49 -1.88 0.48 0.00 -0.04 0.00 0.00 33.50 32.55 1q84 n PRO 6 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1q84 h GLN 7 N 0.00 0.00 -0.21 0.54 1.08 -2.03 -3.09 115.11 111.40 1q84 h GLN 7 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1q84 h GLN 7 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1q84 h GLN 7 CO 0.00 0.18 0.00 1.28 -0.95 0.00 0.00 178.83 179.34 1q84 n LEU 8 N -3.32 2.19 -4.41 1.46 4.77 -0.42 -4.82 117.00 112.46 1q84 n LEU 8 Ca 0.00 -0.91 -0.35 0.00 -0.03 0.00 0.00 56.01 54.72 1q84 n LEU 8 Cb 0.42 -0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 41.24 1q84 n LEU 8 CO 0.32 0.45 -0.33 -0.76 -1.33 0.00 0.00 177.39 175.75 1q84 s LEU 9 N -1.59 3.21 0.03 2.23 1.43 -1.17 -1.47 118.68 121.35 1q84 s LEU 9 Ca 0.34 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1q84 s LEU 9 Cb 0.19 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 1q84 s LEU 9 CO 0.28 0.01 -0.13 -0.69 0.23 0.00 0.00 176.35 176.05 1q84 s VAL 10 N 1.35 1.01 -0.32 -1.59 1.01 -0.92 -4.99 120.40 115.95 1q84 s VAL 10 Ca 0.04 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 1q84 s VAL 10 Cb -0.15 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.34 1q84 s VAL 10 CO 0.01 0.03 0.12 -0.60 0.00 0.00 0.00 175.10 174.66 1q84 s ARG 11 N -0.98 2.95 0.53 2.72 3.52 -1.26 -1.19 118.95 125.23 1q84 s ARG 11 Ca 0.01 -0.97 0.08 0.00 -0.13 0.00 0.00 55.73 54.73 1q84 s ARG 11 Cb -0.07 -3.49 0.06 0.00 -1.56 0.00 0.00 34.95 29.89 1q84 s ARG 11 CO 0.01 -0.55 0.73 0.14 -0.81 0.00 0.00 175.30 174.82 1q84 s VAL 12 N 1.50 2.44 0.45 7.11 -7.23 -0.61 -4.87 120.40 119.19 1q84 s VAL 12 Ca 0.02 -0.97 0.15 0.00 -1.81 0.00 0.00 61.98 59.37 1q84 s VAL 12 Cb -0.18 -2.47 0.33 0.00 0.56 0.00 0.00 36.38 34.61 1q84 s VAL 12 CO 0.04 0.00 2.00 0.03 -0.31 0.00 0.00 175.10 176.86 1q84 h ARG 13 N 0.29 0.31 -0.01 4.82 2.47 -1.94 -2.25 114.38 118.07 1q84 h ARG 13 Ca -0.34 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 1q84 h ARG 13 Cb 1.28 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 1q84 h ARG 13 CO 0.42 0.21 -0.23 0.41 0.56 0.00 0.00 179.97 181.34 1q84 n GLY 14 N -1.53 -0.61 0.00 0.04 0.00 -1.26 -4.96 105.19 96.86 1q84 n GLY 14 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1q84 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q84 n GLY 15 N 1.33 0.91 3.88 -0.02 0.00 -0.85 -1.42 105.19 109.03 1q84 n GLY 15 Ca 0.13 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 1q84 n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q84 s GLN 16 N -1.72 3.68 0.04 1.61 -0.21 -1.24 -1.57 119.66 120.25 1q84 s GLN 16 Ca 0.00 0.04 0.06 0.00 0.02 0.00 0.00 55.36 55.48 1q84 s GLN 16 Cb 0.00 -2.96 -0.02 0.00 1.00 0.00 0.00 33.01 31.03 1q84 s GLN 16 CO 0.00 0.54 -0.17 -0.51 -2.12 0.00 0.00 175.29 173.03 1q84 s LEU 17 N -2.15 2.16 -0.15 2.90 1.43 -0.33 -0.92 118.68 121.61 1q84 s LEU 17 Ca 0.35 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1q84 s LEU 17 Cb -0.13 -0.79 0.01 0.00 0.03 0.00 0.00 46.19 45.31 1q84 s LEU 17 CO 0.20 0.10 -0.21 -0.60 0.23 0.00 0.00 176.35 176.07 1q84 s ARG 18 N -1.11 3.03 0.00 1.70 3.52 -0.61 -2.17 118.95 123.30 1q84 s ARG 18 Ca 0.05 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 1q84 s ARG 18 Cb -0.08 -2.49 0.00 0.00 -1.56 0.00 0.00 34.95 30.82 1q84 s ARG 18 CO 0.01 -0.06 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 1q84 n GLY 19 N 4.21 2.08 3.05 8.12 0.00 -0.54 -0.14 105.19 121.97 1q84 n GLY 19 Ca -0.20 -2.12 -0.18 0.00 0.00 0.00 0.00 46.02 43.52 1q84 n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1q84 s ILE 20 N 1.00 0.74 -0.21 -0.61 2.07 -0.49 -4.84 121.20 118.86 1q84 s ILE 20 Ca 0.00 -0.61 -0.23 0.00 -1.41 0.00 0.00 60.65 58.40 1q84 s ILE 20 Cb 0.00 -0.66 -0.01 0.00 0.13 0.00 0.00 42.46 41.91 1q84 s ILE 20 CO 0.00 0.06 0.76 -0.60 -1.91 0.00 0.00 174.94 173.25 1q84 s ARG 21 N -0.61 4.21 0.16 3.50 3.52 -1.26 -1.25 118.95 127.21 1q84 s ARG 21 Ca 0.01 0.83 0.07 0.00 -0.13 0.00 0.00 55.73 56.51 1q84 s ARG 21 Cb -0.05 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1q84 s ARG 21 CO 0.00 -0.38 0.01 -0.51 -0.81 0.00 0.00 175.30 173.62 1q84 s LEU 22 N 2.36 3.39 -0.17 -0.88 1.43 -0.07 -4.94 118.68 119.80 1q84 s LEU 22 Ca 0.33 -0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 52.91 1q84 s LEU 22 Cb -0.16 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1q84 s LEU 22 CO 0.10 0.10 0.54 -0.75 0.23 0.00 0.00 176.35 176.57 1q84 s LYS 23 N -2.84 4.25 0.27 1.70 2.20 -1.26 -1.13 119.74 122.92 1q84 s LYS 23 Ca 0.27 0.49 0.09 0.00 -0.36 0.00 0.00 55.97 56.47 1q84 s LYS 23 Cb -0.10 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1q84 s LYS 23 CO 0.19 -0.08 0.05 0.00 -0.36 0.00 0.00 175.35 175.15 1q84 s ALA 24 N 1.38 3.28 0.23 3.13 0.00 -0.53 -4.93 121.76 124.31 1q84 s ALA 24 Ca 0.26 -1.61 -0.16 0.00 0.00 0.00 0.00 51.96 50.45 1q84 s ALA 24 Cb -0.16 -0.89 0.25 0.00 0.00 0.00 0.00 23.12 22.33 1q84 s ALA 24 CO 0.10 0.25 1.56 -1.35 0.00 0.00 0.00 175.76 176.33 1q84 h PRO 25 N 1.78 -0.03 -0.00 0.00 0.11 -1.96 -2.02 132.00 129.87 1q84 h PRO 25 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1q84 h PRO 25 Cb 1.25 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1q84 h PRO 25 CO 0.61 -0.02 -0.17 0.41 -0.21 0.00 0.00 178.00 178.61 1q84 n GLY 26 N -1.49 -0.90 0.00 -0.55 0.00 -1.26 -5.03 105.19 95.97 1q84 n GLY 26 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1q84 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q84 n GLY 27 N 1.32 -1.85 3.79 -0.02 0.00 -0.76 -5.11 105.19 102.56 1q84 n GLY 27 Ca 0.13 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 1q84 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q84 s PRO 28 N -1.79 3.46 0.11 1.61 0.04 -1.26 -1.45 135.00 135.71 1q84 s PRO 28 Ca 0.00 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.42 1q84 s PRO 28 Cb 0.00 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1q84 s PRO 28 CO 0.00 -0.72 -0.09 0.14 0.04 0.00 0.00 177.00 176.38 1q84 s VAL 29 N -2.15 0.88 -0.17 -0.36 -7.23 -0.29 -3.77 120.40 107.31 1q84 s VAL 29 Ca 0.67 -1.85 -0.11 0.00 -1.81 0.00 0.00 61.98 58.88 1q84 s VAL 29 Cb -0.18 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 1q84 s VAL 29 CO 0.29 -0.73 0.18 -0.44 -0.31 0.00 0.00 175.10 174.09 1q84 s SER 30 N -2.85 6.30 -0.04 4.85 0.01 -0.43 -0.89 113.70 120.66 1q84 s SER 30 Ca 0.10 0.35 0.05 0.00 1.31 0.00 0.00 55.95 57.76 1q84 s SER 30 Cb 0.02 -2.11 -0.01 0.00 0.21 0.00 0.00 66.02 64.13 1q84 s SER 30 CO -0.02 0.20 -0.19 0.00 0.41 0.00 0.00 173.24 173.64 1q84 s ALA 31 N 0.13 1.67 -0.39 1.44 0.00 -0.38 -1.04 121.76 123.19 1q84 s ALA 31 Ca 0.11 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.31 1q84 s ALA 31 Cb -0.12 -0.51 0.11 0.00 0.00 0.00 0.00 23.12 22.61 1q84 s ALA 31 CO 0.01 0.34 0.12 -0.06 0.00 0.00 0.00 175.76 176.16 1q84 s PHE 32 N -0.15 3.40 -0.06 0.00 0.40 0.62 -1.40 117.98 120.79 1q84 s PHE 32 Ca -0.00 -2.94 -0.03 0.00 -0.60 0.00 0.00 56.93 53.35 1q84 s PHE 32 Cb -0.11 -2.78 -0.04 0.00 0.51 0.00 0.00 43.02 40.61 1q84 s PHE 32 CO 0.02 -0.88 0.08 -0.51 0.70 0.00 0.00 175.22 174.63 1q84 s LEU 33 N 0.61 3.99 -0.19 -0.37 1.43 -0.38 -0.89 118.68 122.87 1q84 s LEU 33 Ca 0.13 0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1q84 s LEU 33 Cb -0.21 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1q84 s LEU 33 CO -0.07 0.35 0.06 0.61 0.23 0.00 0.00 176.35 177.53 1q84 n GLY 34 N 1.69 0.49 3.68 -3.19 0.00 -1.10 -3.65 105.19 103.11 1q84 n GLY 34 Ca -0.17 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1q84 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q84 s ILE 35 N -2.52 4.86 0.10 -0.61 1.01 -0.47 -4.79 121.20 118.76 1q84 s ILE 35 Ca 0.03 1.75 -0.30 0.00 0.00 0.00 0.00 60.65 62.12 1q84 s ILE 35 Cb -0.01 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.21 1q84 s ILE 35 CO 0.04 0.02 1.18 -2.16 0.00 0.00 0.00 174.94 174.02 1q84 s PRO 36 N 2.08 4.47 0.00 2.79 0.04 -1.26 -0.86 135.00 142.26 1q84 s PRO 36 Ca 0.41 1.78 0.05 0.00 0.04 0.00 0.00 61.00 63.28 1q84 s PRO 36 Cb -0.17 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 1q84 s PRO 36 CO 0.14 -0.18 0.38 1.97 0.04 0.00 0.00 177.00 179.35 1q84 n PHE 37 N 3.47 0.00 -4.07 0.56 1.16 -1.02 -4.86 117.46 112.70 1q84 n PHE 37 Ca 0.07 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.58 1q84 n PHE 37 Cb 0.46 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.23 1q84 n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1q84 s ALA 38 N -1.16 0.47 0.25 1.98 0.00 -1.25 -3.15 121.76 118.90 1q84 s ALA 38 Ca 0.04 -1.17 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 1q84 s ALA 38 Cb 0.04 0.35 -0.10 0.00 0.00 0.00 0.00 23.12 23.41 1q84 s ALA 38 CO 0.17 -0.40 1.47 -1.21 0.00 0.00 0.00 175.76 175.79 1q84 s GLU 39 N -3.93 4.25 -0.35 0.00 0.41 -0.23 -4.42 118.70 114.43 1q84 s GLU 39 Ca 0.08 2.34 -0.42 0.00 -0.41 0.00 0.00 54.97 56.56 1q84 s GLU 39 Cb 0.08 -3.10 -0.17 0.00 -1.78 0.00 0.00 34.13 29.16 1q84 s GLU 39 CO -0.09 -0.46 1.76 -2.30 -0.49 0.00 0.00 175.26 173.68 1q84 n PRO 40 N 2.45 0.82 -1.86 0.39 -0.02 -1.26 -4.68 135.00 130.85 1q84 n PRO 40 Ca 0.07 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 1q84 n PRO 40 Cb 0.40 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 31.92 1q84 n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1q84 n PRO 41 N 5.35 3.65 -4.42 0.52 -0.04 -1.26 -4.91 135.00 133.89 1q84 n PRO 41 Ca 0.30 -2.96 -0.26 0.00 -0.04 0.00 0.00 63.50 60.54 1q84 n PRO 41 Cb 0.08 -2.93 -0.12 0.00 -0.04 0.00 0.00 33.50 30.50 1q84 n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1q84 s VAL 42 N 1.20 2.29 0.00 0.52 -7.23 -1.26 -3.57 120.40 112.36 1q84 s VAL 42 Ca 0.52 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1q84 s VAL 42 Cb 0.15 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.98 1q84 s VAL 42 CO -0.06 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 1q84 n GLY 43 N 0.20 2.97 0.04 2.32 0.00 -1.26 -2.44 105.19 107.02 1q84 n GLY 43 Ca -0.12 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 45.74 1q84 n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q84 n SER 44 N 9.01 0.21 -0.38 1.61 3.41 -1.26 -2.73 113.62 123.49 1q84 n SER 44 Ca 0.00 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 1q84 n SER 44 Cb 0.00 -0.60 0.40 0.00 -0.26 0.00 0.00 64.21 63.75 1q84 n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1q84 n ARG 45 N -1.73 1.24 -1.89 4.33 5.12 -1.02 -4.84 116.66 117.88 1q84 n ARG 45 Ca 0.03 -0.77 -0.41 0.00 -1.93 0.00 0.00 57.85 54.77 1q84 n ARG 45 Cb 0.21 -1.48 -0.01 0.00 -1.16 0.00 0.00 32.46 30.01 1q84 n ARG 45 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1q84 s ARG 46 N -2.29 4.18 0.00 5.56 3.52 -1.10 -2.01 118.95 126.81 1q84 s ARG 46 Ca 0.29 2.47 0.00 0.00 -0.13 0.00 0.00 55.73 58.36 1q84 s ARG 46 Cb 0.20 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.56 1q84 s ARG 46 CO 0.44 -0.48 0.00 1.19 -0.81 0.00 0.00 175.30 175.64 1q84 n PHE 47 N 1.29 0.00 -3.70 5.12 3.72 -1.26 -4.94 117.46 117.69 1q84 n PHE 47 Ca 0.04 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.16 1q84 n PHE 47 Cb 0.39 -0.97 -0.03 0.00 -0.94 0.00 0.00 39.48 37.93 1q84 n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1q84 s MET 48 N -0.71 3.52 0.51 -1.08 -1.94 -0.85 -4.24 119.30 114.52 1q84 s MET 48 Ca 0.00 -0.33 -0.21 0.00 -1.71 0.00 0.00 55.69 53.43 1q84 s MET 48 Cb 0.00 -2.85 -0.08 0.00 2.01 0.00 0.00 34.83 33.92 1q84 s MET 48 CO 0.00 0.41 1.01 -2.30 -0.01 0.00 0.00 175.02 174.13 1q84 n PRO 49 N -0.60 1.20 -2.39 2.03 -0.02 -1.26 -4.93 135.00 129.04 1q84 n PRO 49 Ca -0.05 0.44 -0.37 0.00 -2.02 0.00 0.00 63.50 61.51 1q84 n PRO 49 Cb 0.54 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1q84 n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1q84 s PRO 50 N -2.40 4.01 0.04 0.52 0.04 -1.26 -5.05 135.00 130.90 1q84 s PRO 50 Ca 0.69 1.68 0.02 0.00 0.04 0.00 0.00 61.00 63.43 1q84 s PRO 50 Cb -0.48 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 1q84 s PRO 50 CO 0.52 -0.32 0.06 -1.21 0.04 0.00 0.00 177.00 176.10 1q84 s GLU 51 N -2.51 2.89 0.52 4.56 2.02 -1.26 -5.02 118.70 119.90 1q84 s GLU 51 Ca 0.59 -0.63 -0.23 0.00 0.02 0.00 0.00 54.97 54.73 1q84 s GLU 51 Cb -0.26 -2.74 -0.06 0.00 0.10 0.00 0.00 34.13 31.17 1q84 s GLU 51 CO 0.33 0.60 1.36 -1.25 0.02 0.00 0.00 175.26 176.31 1q84 s PRO 52 N -2.04 3.31 0.13 0.39 0.04 -1.26 -1.06 135.00 134.51 1q84 s PRO 52 Ca 0.25 2.23 -0.31 0.00 0.04 0.00 0.00 61.00 63.21 1q84 s PRO 52 Cb -0.12 -2.36 -0.09 0.00 0.04 0.00 0.00 34.50 31.97 1q84 s PRO 52 CO 0.17 -1.05 1.52 0.21 0.04 0.00 0.00 177.00 177.89 1q84 s LYS 53 N -2.79 4.25 0.44 4.56 2.47 -1.19 -4.07 119.74 123.41 1q84 s LYS 53 Ca 0.69 2.26 -0.24 0.00 -1.56 0.00 0.00 55.97 57.12 1q84 s LYS 53 Cb -0.40 -3.25 -0.08 0.00 -1.46 0.00 0.00 37.83 32.64 1q84 s LYS 53 CO 0.48 -0.57 1.21 1.03 0.16 0.00 0.00 175.35 177.66 1q84 s ARG 54 N 1.35 3.84 0.58 4.03 0.52 -1.26 -4.93 118.95 123.08 1q84 s ARG 54 Ca 0.69 1.90 -0.19 0.00 -0.52 0.00 0.00 55.73 57.61 1q84 s ARG 54 Cb -0.41 -2.54 -0.06 0.00 0.52 0.00 0.00 34.95 32.46 1q84 s ARG 54 CO 0.31 -0.52 0.92 -2.30 0.02 0.00 0.00 175.30 173.73 1q84 n PRO 55 N -0.24 0.90 -4.46 3.54 -0.02 -1.26 -5.02 135.00 128.43 1q84 n PRO 55 Ca 0.06 0.35 -0.23 0.00 -2.02 0.00 0.00 63.50 61.65 1q84 n PRO 55 Cb 0.46 -2.10 -0.10 0.00 -0.02 0.00 0.00 33.50 31.74 1q84 n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1q84 s TRP 56 N -1.52 2.21 0.51 6.00 -2.14 -0.50 -5.05 118.94 118.45 1q84 s TRP 56 Ca 0.74 -0.41 -0.01 0.00 2.66 0.00 0.00 56.10 59.08 1q84 s TRP 56 Cb -0.43 -1.03 0.01 0.00 -3.10 0.00 0.00 33.47 28.92 1q84 s TRP 56 CO 0.49 0.63 0.75 -1.54 -2.66 0.00 0.00 176.95 174.61 1q84 s SER 57 N -3.49 5.60 0.76 -2.66 1.04 -1.26 -4.60 113.70 109.09 1q84 s SER 57 Ca 0.29 0.29 0.00 0.00 0.48 0.00 0.00 55.95 57.01 1q84 s SER 57 Cb -0.03 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.72 1q84 s SER 57 CO 0.14 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1q84 n GLY 58 N -2.27 0.47 3.32 7.32 0.00 -1.26 -4.59 105.19 108.17 1q84 n GLY 58 Ca 0.04 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 1q84 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q84 s VAL 59 N 0.00 4.08 -0.01 1.61 1.01 -1.26 -3.66 120.40 122.17 1q84 s VAL 59 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 1q84 s VAL 59 Cb 0.00 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 1q84 s VAL 59 CO 0.00 -0.17 1.27 -0.22 0.00 0.00 0.00 175.10 175.99 1q84 s LEU 60 N 1.47 4.31 -0.20 3.92 2.96 -0.10 -4.85 118.68 126.18 1q84 s LEU 60 Ca 0.00 1.97 -0.29 0.00 -0.22 0.00 0.00 54.13 55.59 1q84 s LEU 60 Cb -0.19 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 42.93 1q84 s LEU 60 CO 0.04 -0.61 1.15 -0.62 -1.32 0.00 0.00 176.35 174.99 1q84 s ASP 61 N 1.52 7.02 -0.47 3.68 3.68 -1.26 -1.57 116.67 129.26 1q84 s ASP 61 Ca 0.59 1.52 0.08 0.00 2.13 0.00 0.00 52.55 56.88 1q84 s ASP 61 Cb -0.28 -2.54 0.37 0.00 -1.45 0.00 0.00 42.92 39.02 1q84 s ASP 61 CO 0.25 -0.72 0.93 0.00 0.13 0.00 0.00 175.17 175.76 1q84 n ALA 62 N 6.49 3.96 0.15 3.66 0.00 0.80 -4.80 120.51 130.78 1q84 n ALA 62 Ca 0.13 -4.11 0.02 0.00 0.00 0.00 0.00 53.44 49.47 1q84 n ALA 62 Cb 0.45 -0.76 -0.00 0.00 0.00 0.00 0.00 19.45 19.14 1q84 n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1q84 n THR 63 N -0.15 0.00 -4.09 0.00 -2.24 -1.24 -1.25 114.28 105.31 1q84 n THR 63 Ca 0.29 -0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 1q84 n THR 63 Cb 0.57 1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 69.72 1q84 n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1q84 s THR 64 N -0.87 0.54 0.45 4.28 -4.23 -1.26 -4.87 115.64 109.68 1q84 s THR 64 Ca 0.03 -1.39 -0.24 0.00 -1.18 0.00 0.00 61.69 58.90 1q84 s THR 64 Cb 0.03 -0.99 -0.08 0.00 1.34 0.00 0.00 72.50 72.81 1q84 s THR 64 CO 0.10 -0.59 1.32 -0.36 -0.54 0.00 0.00 174.62 174.55 1q84 s PHE 65 N -2.27 2.63 0.79 3.99 0.08 -1.26 -3.51 117.98 118.44 1q84 s PHE 65 Ca -0.02 1.39 -0.04 0.00 0.12 0.00 0.00 56.93 58.38 1q84 s PHE 65 Cb -0.04 -3.71 0.16 0.00 -0.57 0.00 0.00 43.02 38.86 1q84 s PHE 65 CO -0.02 -2.37 1.09 1.04 -0.10 0.00 0.00 175.22 174.86 1q84 n GLN 66 N -0.28 -0.39 -1.65 0.44 1.13 -1.26 -4.91 117.38 110.45 1q84 n GLN 66 Ca 0.06 -2.60 -0.39 0.00 -1.94 0.00 0.00 57.00 52.12 1q84 n GLN 66 Cb 0.44 -0.83 0.03 0.00 0.11 0.00 0.00 30.24 29.99 1q84 n GLN 66 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1q84 n ASN 67 N -3.12 1.51 -4.76 1.08 3.02 -1.26 -4.82 115.26 106.91 1q84 n ASN 67 Ca 0.17 0.94 -0.40 0.00 -0.03 0.00 0.00 54.58 55.26 1q84 n ASN 67 Cb 0.60 -1.43 -0.06 0.00 -0.61 0.00 0.00 39.78 38.28 1q84 n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1q84 s VAL 68 N -1.37 4.16 0.35 2.41 1.01 -0.10 -4.67 120.40 122.19 1q84 s VAL 68 Ca 0.69 1.99 -0.28 0.00 0.00 0.00 0.00 61.98 64.38 1q84 s VAL 68 Cb -0.47 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 31.52 1q84 s VAL 68 CO 0.52 0.50 1.46 0.00 0.00 0.00 0.00 175.10 177.58 1q84 n TYR 70 N 0.80 2.15 -3.46 0.00 9.36 -0.89 -4.74 117.16 120.39 1q84 n TYR 70 Ca 0.02 0.30 -0.11 0.00 3.32 0.00 0.00 57.90 61.43 1q84 n TYR 70 Cb 0.40 -2.52 -0.02 0.00 -0.63 0.00 0.00 39.34 36.56 1q84 n TYR 70 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 1q84 s GLN 71 N 1.28 1.09 0.26 2.98 -2.07 -1.26 -4.67 119.66 117.26 1q84 s GLN 71 Ca 0.82 -0.36 -0.30 0.00 -1.82 0.00 0.00 55.36 53.70 1q84 s GLN 71 Cb -0.74 0.50 -0.10 0.00 -1.09 0.00 0.00 33.01 31.59 1q84 s GLN 71 CO 0.42 -0.47 1.39 -0.47 -1.32 0.00 0.00 175.29 174.84 1q84 s TYR 72 N -3.35 3.06 -0.19 9.60 6.14 -1.26 -5.01 117.35 126.34 1q84 s TYR 72 Ca 0.02 1.14 -0.07 0.00 0.64 0.00 0.00 57.07 58.80 1q84 s TYR 72 Cb -0.01 -3.75 -0.04 0.00 0.42 0.00 0.00 41.96 38.58 1q84 s TYR 72 CO -0.10 -2.37 0.04 0.08 0.64 0.00 0.00 175.55 173.84 1q84 s VAL 73 N -0.22 4.49 0.03 3.14 1.01 -1.26 -4.90 120.40 122.70 1q84 s VAL 73 Ca 0.57 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 1q84 s VAL 73 Cb -0.40 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 1q84 s VAL 73 CO 0.44 0.44 1.35 -0.62 0.00 0.00 0.00 175.10 176.71 1q84 s ASP 74 N 0.67 6.90 -0.09 3.32 3.68 -1.26 -4.94 116.67 124.94 1q84 s ASP 74 Ca 0.02 2.13 0.13 0.00 2.13 0.00 0.00 52.55 56.96 1q84 s ASP 74 Cb -0.13 -2.57 0.23 0.00 -1.45 0.00 0.00 42.92 39.00 1q84 s ASP 74 CO 0.02 -0.65 1.12 0.35 0.13 0.00 0.00 175.17 176.13 1q84 n THR 75 N 4.36 1.24 -0.21 1.71 -2.24 -1.26 -4.82 114.28 113.06 1q84 n THR 75 Ca 0.12 -1.64 -0.09 0.00 -2.27 0.00 0.00 64.05 60.17 1q84 n THR 75 Cb 0.44 0.07 0.04 0.00 -2.10 0.00 0.00 70.33 68.78 1q84 n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1q84 h LEU 76 N 0.21 1.03 -6.55 3.22 5.85 -2.02 -3.36 115.31 113.70 1q84 h LEU 76 Ca -0.02 -0.29 -0.60 0.00 0.84 0.00 0.00 57.88 57.82 1q84 h LEU 76 Cb 1.19 -0.28 -0.39 0.00 0.37 0.00 0.00 40.66 41.55 1q84 h LEU 76 CO 0.01 1.08 -0.87 -1.22 -0.34 0.00 0.00 178.44 177.10 1q84 n TYR 77 N -4.18 0.23 -1.95 1.25 4.01 -1.26 -5.12 117.16 110.14 1q84 n TYR 77 Ca 0.03 -3.58 -0.41 0.00 -0.16 0.00 0.00 57.90 53.78 1q84 n TYR 77 Cb 0.34 0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.37 1q84 n TYR 77 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1q84 s PRO 78 N -0.40 4.23 0.00 -0.72 0.02 -1.26 -2.23 135.00 134.64 1q84 s PRO 78 Ca 0.31 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.72 1q84 s PRO 78 Cb 0.02 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.49 1q84 s PRO 78 CO -0.19 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 176.47 1q84 n GLY 79 N 1.40 0.81 3.67 0.52 0.00 -1.26 -5.00 105.19 105.33 1q84 n GLY 79 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1q84 n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1q84 s PHE 80 N -3.25 3.43 0.30 1.61 5.36 -0.95 -4.96 117.98 119.53 1q84 s PHE 80 Ca 0.00 1.17 0.05 0.00 -0.96 0.00 0.00 56.93 57.19 1q84 s PHE 80 Cb 0.00 -2.93 0.69 0.00 -0.34 0.00 0.00 43.02 40.44 1q84 s PHE 80 CO 0.00 -0.18 1.81 1.49 -1.46 0.00 0.00 175.22 176.87 1q84 h GLU 81 N 7.30 0.81 0.00 10.12 4.81 -1.94 -0.97 114.58 134.71 1q84 h GLU 81 Ca -0.31 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 1q84 h GLU 81 Cb 1.14 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 1q84 h GLU 81 CO 0.81 0.53 -0.08 0.78 -0.73 0.00 0.00 179.01 180.32 1q84 h GLY 82 N 0.83 0.00 0.13 1.92 0.00 -1.93 -1.88 103.07 102.15 1q84 h GLY 82 Ca 0.54 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.49 1q84 h GLY 82 CO -0.32 0.00 -2.37 -1.30 0.00 0.00 0.00 176.54 172.55 1q84 n THR 83 N -4.31 1.54 0.23 4.70 -2.24 -0.93 -4.58 114.28 108.69 1q84 n THR 83 Ca -0.03 -0.61 0.11 0.00 -2.27 0.00 0.00 64.05 61.25 1q84 n THR 83 Cb 0.16 -1.39 0.51 0.00 -2.10 0.00 0.00 70.33 67.51 1q84 n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1q84 h GLU 84 N 0.01 0.00 0.00 -0.78 4.39 -1.00 -1.87 114.58 115.33 1q84 h GLU 84 Ca -0.54 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1q84 h GLU 84 Cb 1.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 1q84 h GLU 84 CO -0.05 0.20 0.00 0.00 -1.16 0.00 0.00 179.01 178.01 1q84 h MET 85 N 0.00 0.00 0.00 2.33 -0.00 -1.59 -2.24 114.93 113.43 1q84 h MET 85 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1q84 h MET 85 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.27 1q84 h MET 85 CO 0.03 0.00 -1.11 0.91 -0.00 0.00 0.00 176.91 176.74 1q84 n TRP 86 N -2.75 0.00 -1.88 -0.10 7.02 -0.71 -4.74 117.44 114.29 1q84 n TRP 86 Ca -0.01 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.16 1q84 n TRP 86 Cb 0.12 -0.06 0.01 0.00 -2.42 0.00 0.00 31.31 28.95 1q84 n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1q84 s ASN 87 N -3.15 6.17 0.26 -0.99 0.01 -0.85 -4.69 114.94 111.71 1q84 s ASN 87 Ca 0.06 1.46 -0.31 0.00 -0.71 0.00 0.00 52.86 53.36 1q84 s ASN 87 Cb 0.15 -2.48 -0.13 0.00 0.41 0.00 0.00 41.25 39.21 1q84 s ASN 87 CO 0.85 -0.91 1.45 -2.65 -1.51 0.00 0.00 177.10 174.33 1q84 n PRO 88 N -2.69 2.22 -0.09 -0.60 -0.02 -1.26 -4.91 135.00 127.66 1q84 n PRO 88 Ca 0.06 0.79 0.03 0.00 -2.02 0.00 0.00 63.50 62.37 1q84 n PRO 88 Cb 0.54 -2.47 0.08 0.00 -0.02 0.00 0.00 33.50 31.63 1q84 n PRO 88 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1q84 n ASN 89 N 2.03 2.38 -4.08 2.55 6.94 -1.26 -4.99 115.26 118.83 1q84 n ASN 89 Ca 0.10 -1.86 -0.22 0.00 -0.02 0.00 0.00 54.58 52.58 1q84 n ASN 89 Cb 0.33 -0.12 -0.09 0.00 -2.36 0.00 0.00 39.78 37.55 1q84 n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1q84 s ARG 90 N -0.92 1.75 0.45 -3.83 1.81 -1.26 -5.09 118.95 111.86 1q84 s ARG 90 Ca 0.13 -2.03 -0.25 0.00 -1.72 0.00 0.00 55.73 51.86 1q84 s ARG 90 Cb 0.07 -0.40 -0.08 0.00 -0.45 0.00 0.00 34.95 34.09 1q84 s ARG 90 CO 0.10 -0.44 1.40 -1.21 -0.68 0.00 0.00 175.30 174.47 1q84 s GLU 91 N -3.77 3.69 0.21 3.54 0.41 -1.26 -4.47 118.70 117.05 1q84 s GLU 91 Ca 0.31 2.35 -0.30 0.00 -0.41 0.00 0.00 54.97 56.92 1q84 s GLU 91 Cb 0.04 -2.63 -0.08 0.00 -1.78 0.00 0.00 34.13 29.68 1q84 s GLU 91 CO 0.16 -0.79 0.95 -0.51 -0.49 0.00 0.00 175.26 174.59 1q84 s LEU 92 N -2.75 4.61 0.02 1.80 1.43 -1.26 -0.92 118.68 121.61 1q84 s LEU 92 Ca 0.61 1.93 -0.28 0.00 -1.03 0.00 0.00 54.13 55.36 1q84 s LEU 92 Cb -0.42 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.27 1q84 s LEU 92 CO 0.54 0.09 0.68 -0.55 0.23 0.00 0.00 176.35 177.33 1q84 s SER 93 N -0.88 -0.60 0.48 2.29 0.15 -0.63 -4.91 113.70 109.60 1q84 s SER 93 Ca 0.43 0.40 0.28 0.00 0.70 0.00 0.00 55.95 57.75 1q84 s SER 93 Cb -0.26 0.54 0.79 0.00 -1.71 0.00 0.00 66.02 65.38 1q84 s SER 93 CO 0.32 -0.73 1.77 -0.33 1.20 0.00 0.00 173.24 175.47 1q84 h GLU 94 N 2.56 0.00 -5.35 5.44 5.08 -1.95 -2.36 114.58 118.00 1q84 h GLU 94 Ca -0.29 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.40 1q84 h GLU 94 Cb 1.21 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.31 1q84 h GLU 94 CO 0.38 0.00 1.15 0.34 -1.00 0.00 0.00 179.01 179.88 1q84 s ASP 95 N -5.93 6.65 0.00 1.42 -1.08 -1.26 -4.31 116.67 112.17 1q84 s ASP 95 Ca 0.05 -2.00 0.00 0.00 -0.52 0.00 0.00 52.55 50.08 1q84 s ASP 95 Cb 0.07 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 1q84 s ASP 95 CO 0.61 -1.16 0.38 0.00 0.52 0.00 0.00 175.17 175.52 1q84 n LEU 97 N -0.01 5.32 -4.19 0.00 4.77 -1.26 -4.58 117.00 117.04 1q84 n LEU 97 Ca 0.00 -4.25 -0.15 0.00 -0.03 0.00 0.00 56.01 51.58 1q84 n LEU 97 Cb 0.43 -1.66 -0.11 0.00 -2.33 0.00 0.00 43.42 39.75 1q84 n LEU 97 CO 0.00 0.58 -0.42 -0.31 -1.33 0.00 0.00 177.39 175.90 1q84 s TYR 98 N 2.59 1.14 0.23 -1.77 2.02 -1.26 -2.44 117.35 117.86 1q84 s TYR 98 Ca 0.47 -0.64 0.04 0.00 -0.37 0.00 0.00 57.07 56.57 1q84 s TYR 98 Cb 0.02 -0.61 -0.05 0.00 -0.40 0.00 0.00 41.96 40.91 1q84 s TYR 98 CO 0.03 0.03 -0.01 -0.48 -1.57 0.00 0.00 175.55 173.55 1q84 s LEU 99 N -2.49 2.20 0.03 -1.29 0.05 -0.04 -1.33 118.68 115.81 1q84 s LEU 99 Ca 0.07 -1.21 0.06 0.00 0.05 0.00 0.00 54.13 53.10 1q84 s LEU 99 Cb -0.03 -0.27 -0.02 0.00 -2.05 0.00 0.00 46.19 43.81 1q84 s LEU 99 CO 0.01 -0.50 -0.17 0.20 -0.55 0.00 0.00 176.35 175.33 1q84 s ASN 100 N -3.30 2.08 -0.06 1.48 0.01 0.13 -1.37 114.94 113.91 1q84 s ASN 100 Ca 0.28 -0.46 0.01 0.00 -0.71 0.00 0.00 52.86 51.98 1q84 s ASN 100 Cb 0.06 -0.17 0.02 0.00 0.41 0.00 0.00 41.25 41.57 1q84 s ASN 100 CO 0.08 0.12 -0.07 -0.69 -1.51 0.00 0.00 177.10 175.03 1q84 s VAL 101 N -0.75 0.78 -0.03 1.60 1.01 -0.07 -1.42 120.40 121.52 1q84 s VAL 101 Ca 0.05 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1q84 s VAL 101 Cb -0.08 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1q84 s VAL 101 CO 0.01 0.29 -0.07 0.26 0.00 0.00 0.00 175.10 175.59 1q84 s TRP 102 N 1.03 2.90 0.05 5.22 0.51 0.35 -0.27 118.94 128.71 1q84 s TRP 102 Ca -0.09 -0.02 -0.05 0.00 -2.12 0.00 0.00 56.10 53.83 1q84 s TRP 102 Cb -0.14 -1.65 -0.02 0.00 -0.81 0.00 0.00 33.47 30.85 1q84 s TRP 102 CO -0.00 0.35 0.07 -0.08 -0.51 0.00 0.00 176.95 176.78 1q84 s THR 103 N -0.91 0.15 0.60 2.01 -1.32 -0.21 -1.35 115.64 114.62 1q84 s THR 103 Ca 0.15 -1.25 -0.20 0.00 -1.21 0.00 0.00 61.69 59.18 1q84 s THR 103 Cb -0.11 -1.06 -0.03 0.00 -1.51 0.00 0.00 72.50 69.79 1q84 s THR 103 CO 0.05 -0.69 1.32 -2.65 -2.21 0.00 0.00 174.62 170.43 1q84 n PRO 104 N 0.55 1.36 -3.99 7.08 -0.02 -1.26 -1.32 135.00 137.41 1q84 n PRO 104 Ca -0.18 0.52 -0.34 0.00 -2.02 0.00 0.00 63.50 61.48 1q84 n PRO 104 Cb 0.59 -2.55 -0.15 0.00 -0.02 0.00 0.00 33.50 31.38 1q84 n PRO 104 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1q84 s TYR 105 N -1.34 3.03 0.65 6.00 5.04 -1.25 -2.27 117.35 127.20 1q84 s TYR 105 Ca 0.78 -1.57 -0.11 0.00 -2.44 0.00 0.00 57.07 53.73 1q84 s TYR 105 Cb -0.40 -2.03 -0.02 0.00 0.35 0.00 0.00 41.96 39.86 1q84 s TYR 105 CO 0.44 -0.74 1.04 -1.25 -1.34 0.00 0.00 175.55 173.71 1q84 s PRO 106 N 1.32 3.32 0.32 4.97 0.04 -1.26 -4.74 135.00 138.95 1q84 s PRO 106 Ca 0.01 0.84 -0.28 0.00 0.04 0.00 0.00 61.00 61.60 1q84 s PRO 106 Cb -0.16 -2.04 -0.13 0.00 0.04 0.00 0.00 34.50 32.21 1q84 s PRO 106 CO -0.06 -0.80 1.24 0.54 0.04 0.00 0.00 177.00 177.96 1q84 n ARG 107 N -2.91 1.92 -1.69 4.56 1.74 -0.96 -4.85 116.66 114.47 1q84 n ARG 107 Ca 0.07 0.68 -0.43 0.00 -0.77 0.00 0.00 57.85 57.39 1q84 n ARG 107 Cb 0.54 -2.21 -0.01 0.00 -1.02 0.00 0.00 32.46 29.75 1q84 n ARG 107 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1q84 n PRO 108 N 0.78 2.10 0.12 5.56 -0.02 -1.26 -4.93 135.00 137.34 1q84 n PRO 108 Ca 0.07 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 62.15 1q84 n PRO 108 Cb 0.34 -2.33 -0.08 0.00 -0.02 0.00 0.00 33.50 31.41 1q84 n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q84 h ALA 109 N 2.94 -0.25 -2.69 3.55 0.00 -1.94 -3.45 119.26 117.42 1q84 h ALA 109 Ca -0.46 -0.10 -0.57 0.00 0.00 0.00 0.00 54.91 53.79 1q84 h ALA 109 Cb 1.28 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1q84 h ALA 109 CO 0.66 -0.59 -0.54 -1.54 0.00 0.00 0.00 179.25 177.24 1q84 s SER 110 N -5.07 5.70 0.20 0.00 1.04 -1.26 -5.07 113.70 109.24 1q84 s SER 110 Ca -0.15 -0.06 -0.32 0.00 0.48 0.00 0.00 55.95 55.90 1q84 s SER 110 Cb 0.04 -1.54 -0.13 0.00 0.10 0.00 0.00 66.02 64.49 1q84 s SER 110 CO 0.64 0.07 1.60 -2.65 0.98 0.00 0.00 173.24 173.88 1q84 n PRO 111 N -0.36 2.40 -4.53 4.02 -0.02 -1.26 -4.93 135.00 130.31 1q84 n PRO 111 Ca -0.08 0.86 -0.33 0.00 -2.02 0.00 0.00 63.50 61.94 1q84 n PRO 111 Cb 0.54 -2.64 -0.11 0.00 -0.02 0.00 0.00 33.50 31.27 1q84 n PRO 111 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1q84 s THR 112 N 0.73 3.60 0.29 3.45 2.01 -0.33 -4.70 115.64 120.69 1q84 s THR 112 Ca 0.74 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 1q84 s THR 112 Cb -0.60 -2.53 -0.13 0.00 0.01 0.00 0.00 72.50 69.25 1q84 s THR 112 CO 0.39 0.46 1.21 -2.65 -0.69 0.00 0.00 174.62 173.33 1q84 n PRO 113 N 1.77 1.76 -4.42 4.92 -0.02 -1.26 -0.22 135.00 137.53 1q84 n PRO 113 Ca -0.16 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.60 1q84 n PRO 113 Cb 0.53 -2.14 -0.12 0.00 -0.02 0.00 0.00 33.50 31.75 1q84 n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1q84 s VAL 114 N -0.80 3.90 -0.17 -1.45 1.01 -0.34 -2.90 120.40 119.65 1q84 s VAL 114 Ca 0.61 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 1q84 s VAL 114 Cb -0.65 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1q84 s VAL 114 CO 0.58 0.51 -0.09 -0.76 0.00 0.00 0.00 175.10 175.34 1q84 s LEU 115 N 0.19 2.84 -0.25 3.92 1.02 -0.26 -1.00 118.68 125.13 1q84 s LEU 115 Ca -0.02 -0.33 -0.03 0.00 0.02 0.00 0.00 54.13 53.77 1q84 s LEU 115 Cb -0.14 -1.68 0.01 0.00 0.02 0.00 0.00 46.19 44.41 1q84 s LEU 115 CO 0.03 0.10 -0.03 -0.63 0.02 0.00 0.00 176.35 175.83 1q84 s ILE 116 N 0.77 3.21 0.01 -0.59 1.01 0.15 -0.79 121.20 124.96 1q84 s ILE 116 Ca -0.04 -0.82 -0.22 0.00 0.00 0.00 0.00 60.65 59.58 1q84 s ILE 116 Cb -0.15 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 1q84 s ILE 116 CO 0.01 0.24 0.64 0.86 0.00 0.00 0.00 174.94 176.69 1q84 s TRP 117 N 1.40 3.69 -0.24 3.97 -0.11 0.27 -0.60 118.94 127.32 1q84 s TRP 117 Ca 0.02 1.26 0.03 0.00 1.22 0.00 0.00 56.10 58.63 1q84 s TRP 117 Cb -0.16 -2.66 0.05 0.00 -1.50 0.00 0.00 33.47 29.20 1q84 s TRP 117 CO -0.03 0.33 -0.13 0.42 -4.62 0.00 0.00 176.95 172.92 1q84 s ILE 118 N -0.15 2.14 0.70 5.86 1.01 -0.20 -3.76 121.20 126.80 1q84 s ILE 118 Ca 0.33 -1.48 -0.13 0.00 0.00 0.00 0.00 60.65 59.37 1q84 s ILE 118 Cb -0.19 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.12 1q84 s ILE 118 CO 0.18 0.10 1.09 -0.72 0.00 0.00 0.00 174.94 175.59 1q84 s TYR 119 N 1.15 2.72 0.00 3.97 -0.85 -1.26 -3.50 117.35 119.58 1q84 s TYR 119 Ca -0.06 1.53 0.00 0.00 -0.52 0.00 0.00 57.07 58.02 1q84 s TYR 119 Cb -0.18 -3.06 0.00 0.00 0.38 0.00 0.00 41.96 39.10 1q84 s TYR 119 CO -0.07 -1.59 0.00 0.41 -1.52 0.00 0.00 175.55 172.78 1q84 n GLY 120 N -1.05 1.75 0.00 5.49 0.00 -1.18 -3.08 105.19 107.12 1q84 n GLY 120 Ca 0.09 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1q84 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q84 n GLY 121 N 5.00 1.37 2.38 -0.02 0.00 -1.26 -4.14 105.19 108.52 1q84 n GLY 121 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1q84 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q84 n GLY 122 N 0.00 1.30 2.79 -0.02 0.00 -1.26 -1.77 105.19 106.23 1q84 n GLY 122 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 1q84 n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1q84 n PHE 123 N -2.71 0.00 -0.00 1.61 3.72 -1.26 -4.78 117.46 114.03 1q84 n PHE 123 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1q84 n PHE 123 Cb 0.46 -1.78 0.00 0.00 -0.94 0.00 0.00 39.48 37.21 1q84 n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1q84 n TYR 124 N -2.21 0.00 -3.88 1.38 0.18 -0.89 -0.53 117.16 111.22 1q84 n TYR 124 Ca -0.02 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.66 1q84 n TYR 124 Cb 0.43 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.39 1q84 n TYR 124 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1q84 s SER 125 N -0.85 0.18 0.00 9.48 1.04 -0.73 -4.20 113.70 118.62 1q84 s SER 125 Ca 0.00 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.26 1q84 s SER 125 Cb 0.00 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1q84 s SER 125 CO 0.00 -1.56 0.00 0.61 0.98 0.00 0.00 173.24 173.27 1q84 n GLY 126 N -0.53 2.08 3.58 7.32 0.00 -1.26 -4.10 105.19 112.28 1q84 n GLY 126 Ca -0.06 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.71 1q84 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q84 s ALA 127 N -1.86 -1.93 -1.02 4.61 0.00 -1.26 -4.66 121.76 115.64 1q84 s ALA 127 Ca 0.00 1.61 0.26 0.00 0.00 0.00 0.00 51.96 53.83 1q84 s ALA 127 Cb 0.00 -0.76 1.14 0.00 0.00 0.00 0.00 23.12 23.49 1q84 s ALA 127 CO 0.00 -0.30 1.85 0.00 0.00 0.00 0.00 175.76 177.30 1q84 n ALA 128 N 0.96 2.21 1.40 0.00 0.00 -1.26 -3.61 120.51 120.22 1q84 n ALA 128 Ca -0.11 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.37 1q84 n ALA 128 Cb 0.58 -1.43 0.47 0.00 0.00 0.00 0.00 19.45 19.07 1q84 n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1q84 n SER 129 N -1.49 1.35 -4.76 0.00 3.41 -1.26 -4.81 113.62 106.06 1q84 n SER 129 Ca 0.07 -1.29 -0.37 0.00 -0.26 0.00 0.00 58.87 57.02 1q84 n SER 129 Cb 0.30 0.05 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1q84 n SER 129 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1q84 s LEU 130 N -2.18 3.78 0.42 1.04 1.43 -1.24 -4.90 118.68 117.03 1q84 s LEU 130 Ca 0.33 2.46 0.10 0.00 -1.03 0.00 0.00 54.13 55.99 1q84 s LEU 130 Cb 0.20 -4.45 0.89 0.00 0.03 0.00 0.00 46.19 42.86 1q84 s LEU 130 CO 0.40 -1.45 2.00 0.44 0.23 0.00 0.00 176.35 177.97 1q84 h ASP 131 N 1.27 0.27 0.68 2.29 3.32 -1.92 -1.96 116.42 120.38 1q84 h ASP 131 Ca -0.50 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1q84 h ASP 131 Cb 1.29 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1q84 h ASP 131 CO 0.57 0.31 0.00 -0.37 -1.72 0.00 0.00 179.24 178.03 1q84 h VAL 132 N 0.30 0.00 -0.63 -1.35 -1.51 -1.90 -2.66 116.25 108.50 1q84 h VAL 132 Ca 0.07 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1q84 h VAL 132 Cb 0.17 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 1q84 h VAL 132 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.12 1q84 n TYR 133 N -2.33 1.71 -1.86 5.19 4.01 -0.74 -4.48 117.16 118.67 1q84 n TYR 133 Ca 0.02 -0.64 -0.43 0.00 -0.16 0.00 0.00 57.90 56.69 1q84 n TYR 133 Cb 0.22 -0.34 -0.03 0.00 -0.31 0.00 0.00 39.34 38.88 1q84 n TYR 133 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1q84 s ASP 134 N -0.85 6.10 0.00 7.72 -1.08 -1.01 -4.88 116.67 122.68 1q84 s ASP 134 Ca 0.53 1.93 0.30 0.00 -0.52 0.00 0.00 52.55 54.78 1q84 s ASP 134 Cb 0.36 -2.52 1.75 0.00 -1.46 0.00 0.00 42.92 41.05 1q84 s ASP 134 CO 0.22 -1.44 2.12 0.61 0.52 0.00 0.00 175.17 177.20 1q84 n GLY 135 N 5.00 -1.01 0.20 2.66 0.00 -1.26 -4.32 105.19 106.46 1q84 n GLY 135 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1q84 n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1q84 h ARG 136 N 0.00 0.16 -0.07 1.61 0.11 -1.89 -2.29 114.38 112.00 1q84 h ARG 136 Ca 0.00 -0.06 -0.04 0.00 0.10 0.00 0.00 59.98 59.98 1q84 h ARG 136 Cb 0.05 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.13 1q84 h ARG 136 CO 0.00 0.50 -0.11 0.74 0.10 0.00 0.00 179.97 181.19 1q84 h PHE 137 N 0.14 0.25 -0.74 4.08 0.04 -1.77 0.33 116.94 119.26 1q84 h PHE 137 Ca 0.02 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 1q84 h PHE 137 Cb 0.70 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 1q84 h PHE 137 CO 0.01 0.69 0.33 -0.07 -0.60 0.00 0.00 178.31 178.67 1q84 h LEU 138 N -0.27 0.99 -0.14 1.54 3.38 -1.70 0.02 115.31 119.13 1q84 h LEU 138 Ca 0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1q84 h LEU 138 Cb 0.67 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1q84 h LEU 138 CO 0.03 0.87 0.07 0.00 0.09 0.00 0.00 178.44 179.49 1q84 h ALA 139 N 1.16 0.18 -0.01 1.53 0.00 -1.31 -2.08 119.26 118.74 1q84 h ALA 139 Ca 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1q84 h ALA 139 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1q84 h ALA 139 CO -0.03 -0.26 -0.02 0.37 0.00 0.00 0.00 179.25 179.31 1q84 h GLN 140 N 0.11 0.03 0.23 0.00 -0.00 -0.71 -1.57 115.11 113.19 1q84 h GLN 140 Ca 0.05 -0.02 -0.32 0.00 -0.00 0.00 0.00 58.65 58.36 1q84 h GLN 140 Cb 0.11 0.00 0.04 0.00 0.00 0.00 0.00 27.48 27.63 1q84 h GLN 140 CO -0.01 0.61 -1.39 0.28 0.00 0.00 0.00 178.83 178.32 1q84 h VAL 141 N -0.55 1.30 -0.01 2.39 2.07 -1.08 -3.35 116.25 117.03 1q84 h VAL 141 Ca 0.00 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 64.88 1q84 h VAL 141 Cb 0.61 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 1q84 h VAL 141 CO 0.00 0.79 -0.53 -0.62 0.02 0.00 0.00 177.57 177.23 1q84 n GLU 142 N -3.77 1.16 -1.53 1.57 -0.58 -0.79 -4.98 120.64 111.71 1q84 n GLU 142 Ca -0.16 -0.81 -0.11 0.00 -0.42 0.00 0.00 57.16 55.66 1q84 n GLU 142 Cb 1.06 -1.44 -0.04 0.00 -0.57 0.00 0.00 31.44 30.46 1q84 n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1q84 n GLY 143 N 1.38 0.91 3.83 0.62 0.00 -0.59 -5.00 105.19 106.34 1q84 n GLY 143 Ca 0.08 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 1q84 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q84 s ALA 144 N -2.44 3.15 -0.25 4.61 0.00 -1.16 -4.79 121.76 120.87 1q84 s ALA 144 Ca 0.00 0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.04 1q84 s ALA 144 Cb 0.00 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1q84 s ALA 144 CO 0.00 0.17 0.47 0.08 0.00 0.00 0.00 175.76 176.49 1q84 s VAL 145 N -2.14 5.11 -0.10 0.00 1.01 -1.14 -4.09 120.40 119.04 1q84 s VAL 145 Ca 0.59 0.80 0.03 0.00 0.00 0.00 0.00 61.98 63.39 1q84 s VAL 145 Cb -0.09 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1q84 s VAL 145 CO 0.16 0.12 -0.19 -0.22 0.00 0.00 0.00 175.10 174.98 1q84 s LEU 146 N 2.11 2.40 -0.03 3.92 0.20 -0.46 -1.11 118.68 125.72 1q84 s LEU 146 Ca 0.20 -0.43 0.05 0.00 0.69 0.00 0.00 54.13 54.64 1q84 s LEU 146 Cb -0.16 -1.50 -0.01 0.00 -0.43 0.00 0.00 46.19 44.09 1q84 s LEU 146 CO 0.09 0.19 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.47 1q84 s VAL 147 N 0.19 1.52 0.03 1.68 1.01 0.03 -0.50 120.40 124.35 1q84 s VAL 147 Ca -0.11 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1q84 s VAL 147 Cb -0.16 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1q84 s VAL 147 CO 0.06 0.43 -0.06 -0.94 0.00 0.00 0.00 175.10 174.59 1q84 s SER 148 N -0.18 0.71 0.11 3.32 1.04 -0.51 -0.56 113.70 117.63 1q84 s SER 148 Ca 0.01 -0.46 0.06 0.00 0.48 0.00 0.00 55.95 56.04 1q84 s SER 148 Cb -0.10 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 1q84 s SER 148 CO 0.01 -0.17 -0.15 0.00 0.98 0.00 0.00 173.24 173.91 1q84 s MET 149 N -1.31 0.99 0.13 4.02 0.23 -1.25 0.23 119.30 122.34 1q84 s MET 149 Ca -0.09 -1.17 -0.20 0.00 -1.03 0.00 0.00 55.69 53.20 1q84 s MET 149 Cb -0.09 -0.93 -0.07 0.00 -1.53 0.00 0.00 34.83 32.21 1q84 s MET 149 CO 0.00 0.19 0.64 -0.80 -2.03 0.00 0.00 175.02 173.02 1q84 s ASN 150 N -2.24 7.12 0.09 -1.18 0.01 -0.44 -4.50 114.94 113.80 1q84 s ASN 150 Ca 0.06 1.36 0.04 0.00 -0.71 0.00 0.00 52.86 53.62 1q84 s ASN 150 Cb -0.07 -2.40 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 1q84 s ASN 150 CO 0.03 0.21 -0.11 -0.72 -1.51 0.00 0.00 177.10 174.99 1q84 s TYR 151 N -1.22 1.11 0.30 2.20 1.13 -1.26 -4.53 117.35 115.09 1q84 s TYR 151 Ca 0.34 -0.60 -0.29 0.00 -1.41 0.00 0.00 57.07 55.11 1q84 s TYR 151 Cb -0.19 -0.61 -0.10 0.00 -1.10 0.00 0.00 41.96 39.96 1q84 s TYR 151 CO 0.21 0.03 1.34 1.03 -2.51 0.00 0.00 175.55 175.65 1q84 s ARG 152 N -2.52 4.33 0.41 -3.49 0.52 -1.26 -4.84 118.95 112.10 1q84 s ARG 152 Ca 0.04 2.23 0.05 0.00 -0.52 0.00 0.00 55.73 57.53 1q84 s ARG 152 Cb -0.05 -3.09 -0.07 0.00 0.52 0.00 0.00 34.95 32.27 1q84 s ARG 152 CO 0.01 -0.26 0.02 0.14 0.02 0.00 0.00 175.30 175.23 1q84 s VAL 153 N -0.77 1.68 0.00 3.52 -7.23 -1.26 -4.18 120.40 112.15 1q84 s VAL 153 Ca 0.52 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1q84 s VAL 153 Cb -0.40 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 33.72 1q84 s VAL 153 CO 0.50 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.90 1q84 n GLY 154 N -0.95 1.41 0.31 2.32 0.00 0.31 -2.23 105.19 106.35 1q84 n GLY 154 Ca -0.06 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.42 1q84 n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1q84 h THR 155 N 0.00 0.85 -0.21 2.61 1.35 -1.89 0.68 112.91 116.29 1q84 h THR 155 Ca 0.00 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.59 1q84 h THR 155 Cb 0.00 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.44 1q84 h THR 155 CO 0.00 0.14 0.07 -0.26 -0.25 0.00 0.00 175.52 175.22 1q84 h PHE 156 N 0.75 0.28 0.00 4.73 0.04 -1.87 -1.00 116.94 119.87 1q84 h PHE 156 Ca 0.43 -0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.96 1q84 h PHE 156 Cb 0.47 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 1q84 h PHE 156 CO -0.07 0.24 -2.09 0.41 -0.60 0.00 0.00 178.31 176.20 1q84 n GLY 157 N -1.32 -1.03 0.00 -1.45 0.00 -0.86 -4.22 105.19 96.31 1q84 n GLY 157 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1q84 n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1q84 n PHE 158 N -2.66 0.00 -1.71 1.61 3.72 0.17 -1.24 117.46 117.35 1q84 n PHE 158 Ca -0.21 -0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.77 1q84 n PHE 158 Cb 0.95 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.46 1q84 n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1q84 s LEU 159 N -0.00 4.39 -0.03 4.37 0.20 -0.40 -4.49 118.68 122.73 1q84 s LEU 159 Ca 0.00 2.81 0.02 0.00 0.69 0.00 0.00 54.13 57.65 1q84 s LEU 159 Cb 0.00 -3.58 0.01 0.00 -0.43 0.00 0.00 46.19 42.19 1q84 s LEU 159 CO 0.00 -1.00 -0.07 0.00 -0.29 0.00 0.00 176.35 174.99 1q84 s ALA 160 N 2.20 0.71 -0.64 5.97 0.00 -1.26 -4.20 121.76 124.54 1q84 s ALA 160 Ca 0.79 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 1q84 s ALA 160 Cb -0.48 -0.32 0.16 0.00 0.00 0.00 0.00 23.12 22.49 1q84 s ALA 160 CO 0.35 0.08 0.45 -0.51 0.00 0.00 0.00 175.76 176.13 1q84 s LEU 161 N 0.40 5.13 0.28 0.00 1.43 -0.02 -3.84 118.68 122.07 1q84 s LEU 161 Ca -0.06 -3.00 -0.30 0.00 -1.03 0.00 0.00 54.13 49.74 1q84 s LEU 161 Cb -0.10 -1.83 -0.12 0.00 0.03 0.00 0.00 46.19 44.18 1q84 s LEU 161 CO 0.00 -0.32 1.59 -2.65 0.23 0.00 0.00 176.35 175.20 1q84 n PRO 162 N 3.27 2.64 0.00 1.29 -0.02 -1.26 -1.54 135.00 139.38 1q84 n PRO 162 Ca 0.09 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 1q84 n PRO 162 Cb 0.37 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 1q84 n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q84 n GLY 163 N 2.26 1.69 3.84 -1.23 0.00 -1.26 -5.06 105.19 105.43 1q84 n GLY 163 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1q84 n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q84 s SER 164 N -2.33 5.54 0.09 1.61 1.04 -0.59 -5.00 113.70 114.07 1q84 s SER 164 Ca 0.00 1.48 0.15 0.00 0.48 0.00 0.00 55.95 58.06 1q84 s SER 164 Cb 0.00 -2.38 -0.12 0.00 0.10 0.00 0.00 66.02 63.62 1q84 s SER 164 CO 0.00 -1.32 0.93 -0.09 0.98 0.00 0.00 173.24 173.74 1q84 h ARG 165 N -0.63 0.00 -0.01 4.02 2.43 -1.97 -3.36 114.38 114.86 1q84 h ARG 165 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1q84 h ARG 165 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1q84 h ARG 165 CO 0.59 0.38 -0.56 -0.85 -1.51 0.00 0.00 179.97 178.02 1q84 n GLU 166 N -2.98 1.51 -2.96 0.20 0.00 -1.26 -4.57 120.64 110.57 1q84 n GLU 166 Ca -0.08 -0.48 -0.15 0.00 0.00 0.00 0.00 57.16 56.45 1q84 n GLU 166 Cb 0.85 -1.31 -0.01 0.00 0.00 0.00 0.00 31.44 30.97 1q84 n GLU 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1q84 n ALA 167 N -0.68 0.29 0.84 -1.84 0.00 -1.26 -4.34 120.51 113.52 1q84 n ALA 167 Ca 0.05 -2.25 0.11 0.00 0.00 0.00 0.00 53.44 51.36 1q84 n ALA 167 Cb 0.32 -1.11 0.51 0.00 0.00 0.00 0.00 19.45 19.18 1q84 n ALA 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1q84 n PRO 168 N 1.73 0.03 0.00 0.00 -0.04 -1.26 -0.84 135.00 134.62 1q84 n PRO 168 Ca 0.16 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1q84 n PRO 168 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1q84 n PRO 168 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q84 n GLY 169 N 0.93 -0.08 2.58 0.55 0.00 -1.26 -4.74 105.19 103.17 1q84 n GLY 169 Ca 0.06 -1.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 1q84 n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1q84 n ASN 170 N -0.99 -5.49 0.13 1.61 3.02 -1.26 -4.86 115.26 107.41 1q84 n ASN 170 Ca 0.00 0.48 0.02 0.00 -0.03 0.00 0.00 54.58 55.05 1q84 n ASN 170 Cb 0.00 -4.83 0.37 0.00 -0.61 0.00 0.00 39.78 34.71 1q84 n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1q84 h VAL 171 N 0.00 1.21 -0.21 2.41 -1.51 -1.82 -1.54 116.25 114.78 1q84 h VAL 171 Ca -0.43 -0.95 -0.05 0.00 -1.23 0.00 0.00 66.70 64.04 1q84 h VAL 171 Cb 1.35 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.86 1q84 h VAL 171 CO 0.62 0.29 -0.09 1.23 -1.23 0.00 0.00 177.57 178.39 1q84 h GLY 172 N 0.85 0.36 1.31 5.19 0.00 -1.38 0.94 103.07 110.33 1q84 h GLY 172 Ca 0.03 -0.21 -0.17 0.00 0.00 0.00 0.00 47.33 46.97 1q84 h GLY 172 CO 0.03 0.20 -0.55 1.41 0.00 0.00 0.00 176.54 177.63 1q84 h LEU 173 N 0.32 0.81 -1.61 3.11 3.38 -1.58 -2.76 115.31 116.98 1q84 h LEU 173 Ca 0.07 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 1q84 h LEU 173 Cb 0.36 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1q84 h LEU 173 CO 0.02 1.19 -0.20 -0.07 0.09 0.00 0.00 178.44 179.47 1q84 h LEU 174 N 0.55 0.00 -0.33 1.67 3.38 -0.55 0.04 115.31 120.08 1q84 h LEU 174 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1q84 h LEU 174 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1q84 h LEU 174 CO 0.11 0.20 0.18 0.44 0.09 0.00 0.00 178.44 179.46 1q84 h ASP 175 N 0.00 0.42 -0.30 -0.43 3.32 -0.69 0.62 116.42 119.36 1q84 h ASP 175 Ca -0.00 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1q84 h ASP 175 Cb 0.35 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1q84 h ASP 175 CO 0.03 0.39 0.18 1.56 -1.72 0.00 0.00 179.24 179.67 1q84 h GLN 176 N 0.41 0.41 -0.92 3.56 4.20 -1.09 -1.52 115.11 120.17 1q84 h GLN 176 Ca 0.12 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1q84 h GLN 176 Cb 0.06 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 1q84 h GLN 176 CO -0.02 0.32 0.54 -0.09 -0.67 0.00 0.00 178.83 178.92 1q84 h ARG 177 N 0.38 1.25 -0.56 1.46 2.43 -0.74 -0.83 114.38 117.77 1q84 h ARG 177 Ca 0.11 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1q84 h ARG 177 Cb 0.03 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 1q84 h ARG 177 CO -0.02 0.88 0.16 1.25 -1.51 0.00 0.00 179.97 180.74 1q84 h LEU 178 N 1.27 0.78 -1.06 3.80 5.85 -0.54 -0.77 115.31 124.65 1q84 h LEU 178 Ca 0.33 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 1q84 h LEU 178 Cb -0.04 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1q84 h LEU 178 CO -0.06 0.75 -0.28 0.00 -0.34 0.00 0.00 178.44 178.51 1q84 h ALA 179 N 1.36 1.21 -0.61 1.25 0.00 -0.16 -0.44 119.26 121.87 1q84 h ALA 179 Ca 0.18 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1q84 h ALA 179 Cb 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1q84 h ALA 179 CO -0.01 0.52 0.01 -0.07 0.00 0.00 0.00 179.25 179.70 1q84 h LEU 180 N 0.29 1.04 -0.60 0.00 4.07 -0.54 -1.69 115.31 117.88 1q84 h LEU 180 Ca 0.04 -0.30 -0.06 0.00 0.08 0.00 0.00 57.88 57.64 1q84 h LEU 180 Cb 0.65 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 1q84 h LEU 180 CO 0.05 1.09 0.15 1.56 -1.08 0.00 0.00 178.44 180.20 1q84 h GLN 181 N 0.96 0.96 -0.72 1.13 4.20 -0.72 -2.03 115.11 118.88 1q84 h GLN 181 Ca 0.17 -0.23 0.05 0.00 0.06 0.00 0.00 58.65 58.71 1q84 h GLN 181 Cb 0.55 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.15 1q84 h GLN 181 CO 0.03 0.88 0.43 2.35 -0.67 0.00 0.00 178.83 181.85 1q84 h TRP 182 N 0.87 0.79 -0.50 2.96 7.01 -0.81 -2.00 115.95 124.27 1q84 h TRP 182 Ca 0.19 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.19 1q84 h TRP 182 Cb 0.35 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 1q84 h TRP 182 CO 0.03 0.40 0.21 0.28 -2.79 0.00 0.00 178.44 176.57 1q84 h VAL 183 N 0.80 1.21 -0.43 2.65 2.07 -0.86 -0.34 116.25 121.34 1q84 h VAL 183 Ca 0.31 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 67.26 1q84 h VAL 183 Cb 0.14 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1q84 h VAL 183 CO -0.16 0.24 0.16 1.56 0.02 0.00 0.00 177.57 179.39 1q84 h GLN 184 N 0.67 0.33 0.00 1.57 1.08 -0.71 -1.12 115.11 116.93 1q84 h GLN 184 Ca 0.17 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.26 1q84 h GLN 184 Cb 0.17 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1q84 h GLN 184 CO -0.02 0.22 -0.41 0.93 -0.95 0.00 0.00 178.83 178.60 1q84 h GLU 185 N 0.34 0.00 0.00 1.46 5.08 -1.11 -3.40 114.58 116.95 1q84 h GLU 185 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1q84 h GLU 185 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1q84 h GLU 185 CO -0.19 0.41 -0.39 0.09 -1.00 0.00 0.00 179.01 177.93 1q84 n ASN 186 N -3.30 1.96 0.16 1.42 3.02 -0.16 -4.83 115.26 113.53 1q84 n ASN 186 Ca 0.01 -0.18 0.03 0.00 -0.03 0.00 0.00 54.58 54.41 1q84 n ASN 186 Cb 0.64 0.76 0.25 0.00 -0.61 0.00 0.00 39.78 40.81 1q84 n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1q84 h ILE 187 N 0.00 1.11 -0.57 2.41 6.09 -1.38 -2.66 117.51 122.51 1q84 h ILE 187 Ca 0.00 -1.83 0.13 0.00 -1.37 0.00 0.00 64.86 61.79 1q84 h ILE 187 Cb 0.00 2.06 -0.03 0.00 0.47 0.00 0.00 36.82 39.32 1q84 h ILE 187 CO 0.00 0.48 0.39 0.00 -3.07 0.00 0.00 178.15 175.95 1q84 h ALA 188 N 1.51 2.26 0.00 0.18 0.00 -1.79 -0.46 119.26 120.95 1q84 h ALA 188 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1q84 h ALA 188 Cb 1.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1q84 h ALA 188 CO 0.06 -0.41 -0.00 0.00 0.00 0.00 0.00 179.25 178.90 1q84 h ALA 189 N 1.72 1.01 -0.24 0.00 0.00 -1.78 -1.83 119.26 118.13 1q84 h ALA 189 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1q84 h ALA 189 Cb 0.80 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1q84 h ALA 189 CO -0.05 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.40 1q84 n PHE 190 N -3.10 0.29 -0.66 0.00 3.01 -0.27 -4.89 117.46 111.84 1q84 n PHE 190 Ca -0.01 -0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.29 1q84 n PHE 190 Cb 0.17 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1q84 n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1q84 n GLY 191 N 1.40 0.74 3.84 1.37 0.00 -0.69 -4.59 105.19 107.26 1q84 n GLY 191 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1q84 n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q84 s GLY 192 N -1.85 1.91 -0.42 -0.02 0.00 -0.67 -1.19 107.32 105.08 1q84 s GLY 192 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 44.72 44.71 1q84 s GLY 192 CO 0.00 0.41 0.30 -0.35 0.00 0.00 0.00 173.10 173.46 1q84 s ASP 193 N -3.44 5.97 0.25 1.64 -1.08 0.70 -3.45 116.67 117.25 1q84 s ASP 193 Ca 0.58 -1.12 0.22 0.00 -0.52 0.00 0.00 52.55 51.72 1q84 s ASP 193 Cb -0.12 -2.11 0.97 0.00 -1.46 0.00 0.00 42.92 40.20 1q84 s ASP 193 CO 0.42 -0.50 1.68 -0.81 0.52 0.00 0.00 175.17 176.48 1q84 n PRO 194 N 5.10 0.17 -0.02 4.34 -0.04 -1.26 -1.79 135.00 141.50 1q84 n PRO 194 Ca -0.11 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 1q84 n PRO 194 Cb 0.45 -1.86 0.61 0.00 -0.04 0.00 0.00 33.50 32.67 1q84 n PRO 194 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1q84 n MET 195 N -2.18 1.35 -3.33 0.54 2.81 -1.26 -4.44 117.12 110.61 1q84 n MET 195 Ca 0.02 -0.52 -0.22 0.00 -1.81 0.00 0.00 57.70 55.17 1q84 n MET 195 Cb 0.20 -1.42 -0.09 0.00 -0.71 0.00 0.00 33.22 31.20 1q84 n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1q84 s SER 196 N -1.80 1.37 -0.17 7.83 0.15 -0.74 -4.93 113.70 115.41 1q84 s SER 196 Ca 0.37 -2.30 0.01 0.00 0.70 0.00 0.00 55.95 54.73 1q84 s SER 196 Cb 0.19 0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.64 1q84 s SER 196 CO 0.30 -0.21 -0.19 -0.69 1.20 0.00 0.00 173.24 173.65 1q84 s VAL 197 N 0.77 1.98 -0.20 4.45 1.01 -1.26 -1.20 120.40 125.95 1q84 s VAL 197 Ca 0.25 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1q84 s VAL 197 Cb -0.08 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1q84 s VAL 197 CO -0.08 0.53 -0.03 -0.89 0.00 0.00 0.00 175.10 174.63 1q84 s THR 198 N 1.30 3.68 0.11 3.92 2.01 -0.17 -1.05 115.64 125.43 1q84 s THR 198 Ca 0.05 -0.40 -0.26 0.00 0.31 0.00 0.00 61.69 61.38 1q84 s THR 198 Cb -0.13 -2.66 -0.07 0.00 0.01 0.00 0.00 72.50 69.66 1q84 s THR 198 CO -0.12 0.43 0.81 -0.76 -0.69 0.00 0.00 174.62 174.30 1q84 s LEU 199 N 1.10 4.52 0.02 4.42 1.43 -0.76 -0.68 118.68 128.74 1q84 s LEU 199 Ca 0.02 1.61 -0.01 0.00 -1.03 0.00 0.00 54.13 54.72 1q84 s LEU 199 Cb -0.15 -3.34 -0.02 0.00 0.03 0.00 0.00 46.19 42.71 1q84 s LEU 199 CO 0.01 0.08 -0.02 0.72 0.23 0.00 0.00 176.35 177.36 1q84 s PHE 200 N -0.50 0.29 0.05 0.29 -0.71 0.23 -1.07 117.98 116.56 1q84 s PHE 200 Ca 0.39 -0.60 -0.28 0.00 -1.04 0.00 0.00 56.93 55.41 1q84 s PHE 200 Cb -0.22 -0.21 0.09 0.00 -1.21 0.00 0.00 43.02 41.46 1q84 s PHE 200 CO 0.26 -0.23 0.94 0.20 -1.34 0.00 0.00 175.22 175.05 1q84 s GLY 201 N -1.70 -0.37 0.04 1.99 0.00 -1.09 -1.03 107.32 105.16 1q84 s GLY 201 Ca -0.12 0.68 0.05 0.00 0.00 0.00 0.00 44.72 45.33 1q84 s GLY 201 CO -0.02 0.21 -0.15 1.85 0.00 0.00 0.00 173.10 174.98 1q84 s GLU 202 N -3.13 1.01 6.35 2.90 -6.30 -1.23 -1.61 118.70 116.68 1q84 s GLU 202 Ca 0.08 -0.76 0.00 0.00 -2.50 0.00 0.00 54.97 51.79 1q84 s GLU 202 Cb -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 34.13 33.10 1q84 s GLU 202 CO -0.04 0.26 0.00 0.45 0.02 0.00 0.00 175.26 175.94 1q84 n SER 203 N 1.95 0.00 0.22 -1.70 2.88 -0.45 -0.65 113.62 115.87 1q84 n SER 203 Ca -0.18 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.50 1q84 n SER 203 Cb 0.55 0.00 0.77 0.00 -0.75 0.00 0.00 64.21 64.78 1q84 n SER 203 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q84 h ALA 204 N -0.79 1.90 -0.43 -1.46 0.00 -1.86 0.07 119.26 116.68 1q84 h ALA 204 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1q84 h ALA 204 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1q84 h ALA 204 CO 0.00 -0.17 -0.11 0.78 0.00 0.00 0.00 179.25 179.74 1q84 h GLY 205 N 0.00 0.84 0.92 0.00 0.00 -0.81 0.23 103.07 104.26 1q84 h GLY 205 Ca 0.06 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.66 1q84 h GLY 205 CO -0.00 0.59 -0.17 0.00 0.00 0.00 0.00 176.54 176.95 1q84 h ALA 206 N 1.17 0.42 -0.44 3.60 0.00 -0.97 -1.06 119.26 121.98 1q84 h ALA 206 Ca 0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1q84 h ALA 206 Cb 0.59 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1q84 h ALA 206 CO 0.04 0.34 0.16 0.00 0.00 0.00 0.00 179.25 179.79 1q84 h ALA 207 N 0.74 1.46 -0.16 0.00 0.00 -1.08 -0.84 119.26 119.39 1q84 h ALA 207 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1q84 h ALA 207 Cb 0.71 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1q84 h ALA 207 CO 0.05 0.41 0.08 0.77 0.00 0.00 0.00 179.25 180.56 1q84 h SER 208 N 0.62 0.21 -0.73 0.00 0.02 -0.79 0.16 113.55 113.04 1q84 h SER 208 Ca 0.15 -0.11 0.07 0.00 -0.84 0.00 0.00 61.79 61.06 1q84 h SER 208 Cb 0.15 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 1q84 h SER 208 CO -0.01 0.26 0.41 0.58 -1.14 0.00 0.00 176.83 176.93 1q84 h VAL 209 N 0.14 0.95 -0.98 2.27 2.07 -0.69 -1.00 116.25 119.01 1q84 h VAL 209 Ca 0.06 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1q84 h VAL 209 Cb 0.11 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 29.97 1q84 h VAL 209 CO -0.01 0.13 0.64 1.23 0.02 0.00 0.00 177.57 179.59 1q84 h GLY 210 N 0.73 1.42 2.00 2.17 0.00 -0.74 -1.69 103.07 106.97 1q84 h GLY 210 Ca 0.34 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 1q84 h GLY 210 CO -0.21 0.43 -0.37 -0.33 0.00 0.00 0.00 176.54 176.05 1q84 h MET 211 N 1.25 0.00 -0.03 4.80 2.86 0.30 -1.80 114.93 122.31 1q84 h MET 211 Ca 0.39 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.90 1q84 h MET 211 Cb -0.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1q84 h MET 211 CO -0.12 0.37 -0.58 0.45 1.06 0.00 0.00 176.91 178.09 1q84 h HIS 212 N 0.00 0.11 -0.78 -0.22 3.86 -0.77 -1.96 115.15 115.38 1q84 h HIS 212 Ca -0.00 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.11 1q84 h HIS 212 Cb 0.69 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.11 1q84 h HIS 212 CO 0.00 0.65 0.29 0.82 0.86 0.00 0.00 177.93 180.55 1q84 h ILE 213 N 0.07 1.26 -0.02 2.45 2.04 -0.53 -3.19 117.51 119.59 1q84 h ILE 213 Ca -0.00 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1q84 h ILE 213 Cb 1.05 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1q84 h ILE 213 CO 0.08 0.35 0.00 0.18 0.00 0.00 0.00 178.15 178.76 1q84 n LEU 214 N -4.26 1.27 -4.11 1.44 4.77 -0.76 -4.77 117.00 110.58 1q84 n LEU 214 Ca 0.07 -0.43 -0.33 0.00 -0.03 0.00 0.00 56.01 55.29 1q84 n LEU 214 Cb 0.20 -0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.14 1q84 n LEU 214 CO 0.41 0.21 -0.48 -0.55 -1.33 0.00 0.00 177.39 175.66 1q84 s SER 215 N -1.98 3.91 0.19 -1.43 0.15 -0.76 -4.79 113.70 108.99 1q84 s SER 215 Ca 0.39 -1.03 -0.12 0.00 0.70 0.00 0.00 55.95 55.89 1q84 s SER 215 Cb 0.21 -1.54 0.20 0.00 -1.71 0.00 0.00 66.02 63.18 1q84 s SER 215 CO 0.34 -0.11 1.72 0.25 1.20 0.00 0.00 173.24 176.64 1q84 h LEU 216 N 7.87 0.01 -2.52 3.45 5.85 -1.85 -1.50 115.31 126.62 1q84 h LEU 216 Ca -0.32 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1q84 h LEU 216 Cb 1.09 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1q84 h LEU 216 CO 0.55 0.03 0.06 -0.65 -0.34 0.00 0.00 178.44 178.09 1q84 h PRO 217 N 0.24 0.00 0.00 5.25 0.11 -1.95 -1.61 132.00 134.04 1q84 h PRO 217 Ca 0.26 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 1q84 h PRO 217 Cb 0.35 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1q84 h PRO 217 CO -0.33 0.00 -0.19 0.77 -0.21 0.00 0.00 178.00 178.03 1q84 h SER 218 N 0.00 0.00 0.55 -2.05 0.02 -1.52 -3.38 113.55 107.16 1q84 h SER 218 Ca 0.02 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1q84 h SER 218 Cb 0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1q84 h SER 218 CO -0.00 0.19 -0.27 0.03 -1.14 0.00 0.00 176.83 175.64 1q84 h ARG 219 N 0.00 0.00 -0.00 3.45 2.47 -1.30 -1.61 114.38 117.39 1q84 h ARG 219 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1q84 h ARG 219 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 1q84 h ARG 219 CO 0.02 0.27 -0.00 -1.13 0.56 0.00 0.00 179.97 179.69 1q84 n SER 220 N -3.72 0.17 -0.64 7.04 3.41 -1.26 -3.77 113.62 114.85 1q84 n SER 220 Ca -0.01 -1.04 0.09 0.00 -0.26 0.00 0.00 58.87 57.65 1q84 n SER 220 Cb 0.38 -0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1q84 n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1q84 n LEU 221 N -0.87 2.30 -3.77 1.04 4.77 -0.60 -4.99 117.00 114.87 1q84 n LEU 221 Ca 0.23 -0.92 -0.09 0.00 -0.03 0.00 0.00 56.01 55.20 1q84 n LEU 221 Cb 0.14 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1q84 n LEU 221 CO 0.18 0.41 0.30 0.72 -1.33 0.00 0.00 177.39 177.67 1q84 s PHE 222 N -1.76 -0.09 -0.01 -1.77 -0.71 -1.25 -4.89 117.98 107.50 1q84 s PHE 222 Ca 0.20 -0.26 0.01 0.00 -1.04 0.00 0.00 56.93 55.83 1q84 s PHE 222 Cb 0.15 0.43 -0.02 0.00 -1.21 0.00 0.00 43.02 42.38 1q84 s PHE 222 CO 0.32 -0.97 0.01 0.72 -1.34 0.00 0.00 175.22 173.96 1q84 n HIS 223 N -0.37 0.00 -4.10 3.49 8.25 -0.22 -4.92 115.22 117.36 1q84 n HIS 223 Ca -0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 1q84 n HIS 223 Cb 0.62 -0.04 -0.08 0.00 1.12 0.00 0.00 29.99 31.61 1q84 n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1q84 s ARG 224 N -2.05 1.26 -0.08 -0.41 0.52 -1.14 -4.46 118.95 112.58 1q84 s ARG 224 Ca -0.00 -1.44 -0.18 0.00 -0.52 0.00 0.00 55.73 53.58 1q84 s ARG 224 Cb 0.01 0.34 0.04 0.00 0.52 0.00 0.00 34.95 35.85 1q84 s ARG 224 CO 0.04 -0.45 0.44 0.00 0.02 0.00 0.00 175.30 175.36 1q84 s ALA 225 N -4.08 -1.12 -0.07 2.13 0.00 -1.01 -1.84 121.76 115.78 1q84 s ALA 225 Ca 0.30 0.89 0.01 0.00 0.00 0.00 0.00 51.96 53.16 1q84 s ALA 225 Cb 0.04 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1q84 s ALA 225 CO 0.08 -0.27 -0.07 0.08 0.00 0.00 0.00 175.76 175.59 1q84 s VAL 226 N -0.70 0.79 -0.27 0.00 1.01 -0.23 -1.44 120.40 119.56 1q84 s VAL 226 Ca -0.08 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1q84 s VAL 226 Cb -0.03 -0.79 0.07 0.00 0.00 0.00 0.00 36.38 35.63 1q84 s VAL 226 CO 0.04 0.30 -0.02 -0.76 0.00 0.00 0.00 175.10 174.65 1q84 s LEU 227 N 1.13 3.08 -0.32 3.92 1.02 -0.36 -2.67 118.68 124.48 1q84 s LEU 227 Ca -0.07 -1.45 -0.12 0.00 0.02 0.00 0.00 54.13 52.51 1q84 s LEU 227 Cb -0.14 -1.28 -0.02 0.00 0.02 0.00 0.00 46.19 44.77 1q84 s LEU 227 CO -0.01 -0.28 0.21 -1.10 0.02 0.00 0.00 176.35 175.19 1q84 s GLN 228 N 1.28 3.51 -1.49 1.70 -0.21 -0.64 -2.53 119.66 121.29 1q84 s GLN 228 Ca -0.01 -0.62 -0.12 0.00 0.02 0.00 0.00 55.36 54.62 1q84 s GLN 228 Cb -0.19 -3.72 0.07 0.00 1.00 0.00 0.00 33.01 30.17 1q84 s GLN 228 CO -0.09 -0.40 1.01 0.43 -2.12 0.00 0.00 175.29 174.12 1q84 n SER 229 N 5.06 -4.89 -3.60 5.90 7.64 0.71 -1.34 113.62 123.10 1q84 n SER 229 Ca -0.13 -0.74 -0.06 0.00 1.01 0.00 0.00 58.87 58.95 1q84 n SER 229 Cb 0.50 -4.12 -0.04 0.00 -1.01 0.00 0.00 64.21 59.54 1q84 n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1q84 s GLY 230 N -3.38 -0.13 0.05 0.23 0.00 -1.26 -3.29 107.32 99.54 1q84 s GLY 230 Ca 0.61 2.29 -0.09 0.00 0.00 0.00 0.00 44.72 47.53 1q84 s GLY 230 CO 0.81 1.00 0.19 -0.51 0.00 0.00 0.00 173.10 174.59 1q84 s THR 231 N -1.24 0.12 0.20 0.90 -4.23 -1.26 -4.21 115.64 105.91 1q84 s THR 231 Ca 0.04 -0.96 0.06 0.00 -1.18 0.00 0.00 61.69 59.64 1q84 s THR 231 Cb -0.01 -1.02 -0.11 0.00 1.34 0.00 0.00 72.50 72.70 1q84 s THR 231 CO -0.03 -0.53 1.45 1.55 -0.54 0.00 0.00 174.62 176.52 1q84 h PRO 232 N 3.27 0.12 -7.62 3.99 0.13 -1.83 -3.40 132.00 126.66 1q84 h PRO 232 Ca -0.33 -0.12 -0.45 0.00 -0.87 0.00 0.00 66.00 64.24 1q84 h PRO 232 Cb 1.19 0.03 0.15 0.00 0.13 0.00 0.00 31.00 32.51 1q84 h PRO 232 CO 0.50 0.84 0.32 0.54 -0.23 0.00 0.00 178.00 179.98 1q84 s ASN 233 N -6.87 2.87 0.00 1.44 4.22 -1.26 -4.51 114.94 110.83 1q84 s ASN 233 Ca -0.02 0.59 0.00 0.00 -2.14 0.00 0.00 52.86 51.29 1q84 s ASN 233 Cb 0.11 -0.87 0.00 0.00 1.28 0.00 0.00 41.25 41.77 1q84 s ASN 233 CO 0.80 -2.91 0.00 0.61 -2.04 0.00 0.00 177.10 173.56 1q84 n GLY 234 N -2.67 0.39 0.07 0.45 0.00 -1.26 -4.71 105.19 97.46 1q84 n GLY 234 Ca 0.12 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.30 1q84 n GLY 234 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1q84 n PRO 235 N 0.44 0.19 -0.00 1.61 -0.04 -1.26 -4.11 135.00 131.83 1q84 n PRO 235 Ca 0.00 0.15 0.01 0.00 -0.04 0.00 0.00 63.50 63.62 1q84 n PRO 235 Cb 0.00 -1.72 -0.02 0.00 -0.04 0.00 0.00 33.50 31.73 1q84 n PRO 235 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1q84 n TRP 236 N -2.05 0.00 0.35 0.54 4.27 -1.26 -4.78 117.44 114.50 1q84 n TRP 236 Ca 0.06 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.79 1q84 n TRP 236 Cb 0.41 -0.04 0.14 0.00 -1.36 0.00 0.00 31.31 30.46 1q84 n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1q84 h ALA 237 N 0.26 0.70 -2.24 -1.67 0.00 -1.84 -3.44 119.26 111.03 1q84 h ALA 237 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1q84 h ALA 237 Cb 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.74 1q84 h ALA 237 CO 0.00 0.00 -0.69 0.95 0.00 0.00 0.00 179.25 179.51 1q84 s THR 238 N -3.23 0.83 0.17 0.00 -4.23 -1.26 -3.79 115.64 104.13 1q84 s THR 238 Ca 0.05 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 58.63 1q84 s THR 238 Cb 0.10 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 1q84 s THR 238 CO 0.72 -0.71 -0.13 0.68 -0.54 0.00 0.00 174.62 174.64 1q84 s VAL 239 N -3.54 1.48 0.95 2.29 -7.23 -0.82 -4.99 120.40 108.55 1q84 s VAL 239 Ca 0.17 -2.05 -0.12 0.00 -1.81 0.00 0.00 61.98 58.17 1q84 s VAL 239 Cb 0.05 -1.87 0.16 0.00 0.56 0.00 0.00 36.38 35.28 1q84 s VAL 239 CO -0.00 -0.59 1.10 -0.94 -0.31 0.00 0.00 175.10 174.35 1q84 s SER 240 N -3.06 3.03 0.21 4.85 1.04 -1.26 -1.40 113.70 117.10 1q84 s SER 240 Ca 0.18 1.25 -0.06 0.00 0.48 0.00 0.00 55.95 57.79 1q84 s SER 240 Cb -0.01 -1.92 0.16 0.00 0.10 0.00 0.00 66.02 64.36 1q84 s SER 240 CO 0.04 -2.89 1.68 0.00 0.98 0.00 0.00 173.24 173.06 1q84 h ALA 241 N -1.72 0.93 -0.67 5.32 0.00 -1.95 -1.85 119.26 119.31 1q84 h ALA 241 Ca -0.52 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 1q84 h ALA 241 Cb 1.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1q84 h ALA 241 CO 0.57 0.64 0.32 0.78 0.00 0.00 0.00 179.25 181.56 1q84 h GLY 242 N 0.99 1.04 1.85 0.00 0.00 -1.92 -1.53 103.07 103.51 1q84 h GLY 242 Ca 0.16 -0.53 -0.16 0.00 0.00 0.00 0.00 47.33 46.81 1q84 h GLY 242 CO 0.03 0.50 -0.70 -2.09 0.00 0.00 0.00 176.54 174.27 1q84 h GLU 243 N 0.93 0.15 -0.25 4.80 4.57 -1.88 -1.98 114.58 120.91 1q84 h GLU 243 Ca 0.23 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 1q84 h GLU 243 Cb 0.13 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1q84 h GLU 243 CO -0.03 0.79 -0.16 0.00 -1.18 0.00 0.00 179.01 178.44 1q84 h ALA 244 N 1.18 0.36 -0.46 2.92 0.00 -1.22 -1.85 119.26 120.18 1q84 h ALA 244 Ca -0.02 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.63 1q84 h ALA 244 Cb 1.25 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1q84 h ALA 244 CO 0.10 0.26 0.12 -0.09 0.00 0.00 0.00 179.25 179.64 1q84 h ARG 245 N 0.28 0.26 -0.41 0.00 2.43 -1.22 0.60 114.38 116.31 1q84 h ARG 245 Ca 0.05 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1q84 h ARG 245 Cb 0.68 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1q84 h ARG 245 CO 0.04 0.17 0.25 -0.09 -1.51 0.00 0.00 179.97 178.84 1q84 h ARG 246 N 0.27 0.50 -0.27 0.20 2.43 -1.25 -0.34 114.38 115.92 1q84 h ARG 246 Ca 0.23 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.25 1q84 h ARG 246 Cb 0.27 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1q84 h ARG 246 CO -0.27 0.33 -0.33 0.00 -1.51 0.00 0.00 179.97 178.19 1q84 h ARG 247 N 0.51 0.58 -0.28 0.20 3.08 -0.85 -0.36 114.38 117.25 1q84 h ARG 247 Ca 0.16 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 1q84 h ARG 247 Cb -0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1q84 h ARG 247 CO -0.06 0.83 -0.05 0.00 -1.07 0.00 0.00 179.97 179.63 1q84 h ALA 248 N 1.15 0.39 0.00 0.04 0.00 -0.59 -0.71 119.26 119.54 1q84 h ALA 248 Ca 0.06 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1q84 h ALA 248 Cb 0.81 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1q84 h ALA 248 CO 0.07 0.19 -0.44 1.79 0.00 0.00 0.00 179.25 180.85 1q84 h THR 249 N 0.30 0.83 -0.17 0.00 1.35 -0.93 -2.00 112.91 112.30 1q84 h THR 249 Ca 0.07 -1.94 -0.04 0.00 -0.55 0.00 0.00 66.41 63.96 1q84 h THR 249 Cb 0.52 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 1q84 h THR 249 CO 0.02 0.43 -0.03 0.25 -0.25 0.00 0.00 175.52 175.94 1q84 h LEU 250 N 0.00 0.32 -0.69 3.87 5.85 -1.00 -1.82 115.31 121.84 1q84 h LEU 250 Ca -0.00 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.37 1q84 h LEU 250 Cb 1.21 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 1q84 h LEU 250 CO 0.06 0.60 0.45 0.25 -0.34 0.00 0.00 178.44 179.46 1q84 h LEU 251 N 0.03 0.77 -0.26 2.25 5.85 -1.04 -1.28 115.31 121.63 1q84 h LEU 251 Ca 0.04 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1q84 h LEU 251 Cb 0.46 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1q84 h LEU 251 CO 0.02 0.55 0.07 0.00 -0.34 0.00 0.00 178.44 178.74 1q84 h ALA 252 N 1.27 0.28 -0.80 1.25 0.00 -1.33 -1.97 119.26 117.95 1q84 h ALA 252 Ca 0.26 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.33 1q84 h ALA 252 Cb -0.07 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 1q84 h ALA 252 CO -0.07 -0.34 0.41 -0.09 0.00 0.00 0.00 179.25 179.16 1q84 h ARG 253 N 0.18 0.61 0.00 0.00 2.43 -0.68 -1.35 114.38 115.57 1q84 h ARG 253 Ca 0.12 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1q84 h ARG 253 Cb 0.11 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1q84 h ARG 253 CO -0.14 0.41 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.47 1q84 h LEU 254 N 0.63 0.00 -2.61 3.80 3.38 -0.50 -2.23 115.31 117.78 1q84 h LEU 254 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1q84 h LEU 254 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1q84 h LEU 254 CO -0.32 0.19 0.00 1.33 0.09 0.00 0.00 178.44 179.73 1q84 n VAL 255 N -3.72 0.83 -0.65 1.22 0.24 -0.90 -4.98 118.33 110.37 1q84 n VAL 255 Ca -0.02 -0.91 0.00 0.00 -2.04 0.00 0.00 64.34 61.37 1q84 n VAL 255 Cb 0.30 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 1q84 n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q84 n GLY 256 N 1.45 1.11 3.25 7.63 0.00 -0.84 -5.08 105.19 112.71 1q84 n GLY 256 Ca 0.21 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1q84 n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q84 n PRO 258 N 3.06 0.00 0.00 0.00 -0.05 -1.26 -3.06 135.00 133.69 1q84 n PRO 258 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.27 1q84 n PRO 258 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.97 1q84 n PRO 258 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 1q84 n ASN 265 N 0.00 0.00 -0.14 3.54 0.23 -1.26 -5.11 115.26 112.52 1q84 n ASN 265 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.96 1q84 n ASN 265 Cb 0.00 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1q84 n ASN 265 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1q84 h ASP 266 N 0.00 0.56 -0.50 0.53 3.32 -2.00 -2.92 116.42 115.41 1q84 h ASP 266 Ca 0.00 -0.14 0.09 0.00 0.02 0.00 0.00 57.03 57.00 1q84 h ASP 266 Cb 0.00 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.33 1q84 h ASP 266 CO 0.00 0.54 0.07 0.74 -1.72 0.00 0.00 179.24 178.88 1q84 h THR 267 N 0.54 0.68 -0.41 0.35 2.02 -2.01 -0.98 112.91 113.11 1q84 h THR 267 Ca 0.14 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 67.16 1q84 h THR 267 Cb 0.13 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1q84 h THR 267 CO -0.02 0.04 -0.12 -0.33 0.37 0.00 0.00 175.52 175.46 1q84 h GLU 268 N 0.20 0.80 -0.51 6.66 5.08 -1.97 -1.38 114.58 123.45 1q84 h GLU 268 Ca 0.25 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1q84 h GLU 268 Cb 0.36 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1q84 h GLU 268 CO -0.36 0.93 0.08 1.25 -1.00 0.00 0.00 179.01 179.92 1q84 h LEU 269 N 0.61 0.81 -0.22 1.33 6.46 -1.26 -2.15 115.31 120.91 1q84 h LEU 269 Ca 0.10 -0.26 -0.22 0.00 -0.12 0.00 0.00 57.88 57.38 1q84 h LEU 269 Cb 0.65 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1q84 h LEU 269 CO 0.04 0.87 -0.90 0.40 -0.62 0.00 0.00 178.44 178.23 1q84 h ILE 270 N 0.73 1.41 -0.73 4.05 2.04 -1.18 -1.96 117.51 121.87 1q84 h ILE 270 Ca 0.16 -2.41 -0.00 0.00 1.00 0.00 0.00 64.86 63.60 1q84 h ILE 270 Cb 0.40 2.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 1q84 h ILE 270 CO 0.01 0.72 0.44 0.00 0.00 0.00 0.00 178.15 179.32 1q84 h ALA 271 N 0.79 1.41 -0.22 1.87 0.00 -1.12 -0.24 119.26 121.76 1q84 h ALA 271 Ca -0.07 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 1q84 h ALA 271 Cb 1.53 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1q84 h ALA 271 CO 0.15 0.51 -0.66 0.00 0.00 0.00 0.00 179.25 179.26 1q84 h LEU 273 N 0.59 0.65 -1.71 0.00 3.38 -1.03 -2.24 115.31 114.95 1q84 h LEU 273 Ca -0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1q84 h LEU 273 Cb 1.28 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1q84 h LEU 273 CO 0.14 0.48 -0.12 0.03 0.09 0.00 0.00 178.44 179.06 1q84 h ARG 274 N 0.76 0.00 0.00 1.13 3.08 -0.85 -2.10 114.38 116.40 1q84 h ARG 274 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1q84 h ARG 274 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1q84 h ARG 274 CO -0.04 0.12 0.00 1.79 -1.07 0.00 0.00 179.97 180.77 1q84 h THR 275 N 0.00 0.00 -3.50 2.04 1.35 -1.28 -3.46 112.91 108.05 1q84 h THR 275 Ca -0.00 -0.58 -0.52 0.00 -0.55 0.00 0.00 66.41 64.75 1q84 h THR 275 Cb 0.45 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 1q84 h THR 275 CO 0.02 0.00 0.41 -0.13 -0.25 0.00 0.00 175.52 175.57 1q84 s ARG 276 N -3.23 4.62 0.38 4.72 1.81 -0.79 -5.00 118.95 121.46 1q84 s ARG 276 Ca 0.08 1.55 -0.24 0.00 -1.72 0.00 0.00 55.73 55.39 1q84 s ARG 276 Cb 0.09 -3.36 -0.12 0.00 -0.45 0.00 0.00 34.95 31.11 1q84 s ARG 276 CO 0.58 0.09 0.80 -2.30 -0.68 0.00 0.00 175.30 173.79 1q84 n PRO 277 N 2.96 0.96 -0.26 3.54 -0.02 -1.26 -4.87 135.00 136.05 1q84 n PRO 277 Ca 0.04 0.35 0.07 0.00 -2.02 0.00 0.00 63.50 61.93 1q84 n PRO 277 Cb 0.48 -1.74 0.21 0.00 -0.02 0.00 0.00 33.50 32.43 1q84 n PRO 277 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q84 h ALA 278 N 1.30 1.06 0.00 3.55 0.00 -1.96 -2.06 119.26 121.15 1q84 h ALA 278 Ca -0.41 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1q84 h ALA 278 Cb 1.37 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1q84 h ALA 278 CO 0.55 -0.32 -0.40 0.37 0.00 0.00 0.00 179.25 179.45 1q84 h GLN 279 N 0.31 0.00 -0.69 0.00 5.75 -2.00 -2.08 115.11 116.41 1q84 h GLN 279 Ca 0.44 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.95 1q84 h GLN 279 Cb 0.77 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.29 1q84 h GLN 279 CO -0.51 0.40 0.44 -0.44 -2.65 0.00 0.00 178.83 176.07 1q84 h ASP 280 N 0.00 0.80 -0.22 -0.69 5.19 -1.72 -0.86 116.42 118.92 1q84 h ASP 280 Ca -0.00 -0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.33 1q84 h ASP 280 Cb 0.73 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 1q84 h ASP 280 CO 0.05 0.60 -0.04 -0.07 -3.12 0.00 0.00 179.24 176.66 1q84 h LEU 281 N 0.94 0.42 -0.81 1.55 4.07 -1.39 -3.20 115.31 116.88 1q84 h LEU 281 Ca 0.25 -0.36 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1q84 h LEU 281 Cb -0.08 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 41.51 1q84 h LEU 281 CO -0.05 0.68 0.48 0.58 -1.08 0.00 0.00 178.44 179.04 1q84 h VAL 282 N 0.15 1.23 -0.50 1.22 2.07 -1.25 -2.44 116.25 116.73 1q84 h VAL 282 Ca 0.06 -0.52 0.15 0.00 0.82 0.00 0.00 66.70 67.20 1q84 h VAL 282 Cb 0.49 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1q84 h VAL 282 CO 0.02 0.24 0.42 0.44 0.02 0.00 0.00 177.57 178.72 1q84 h ASP 283 N 1.11 0.00 -0.01 0.57 3.32 -1.15 -2.70 116.42 117.57 1q84 h ASP 283 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1q84 h ASP 283 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1q84 h ASP 283 CO -0.05 0.00 -0.03 1.41 -1.72 0.00 0.00 179.24 178.84 1q84 n HIS 284 N -4.06 0.00 -0.20 4.55 8.25 -1.12 -4.73 115.22 117.91 1q84 n HIS 284 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1q84 n HIS 284 Cb 0.63 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.83 1q84 n HIS 284 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1q84 h GLU 285 N 1.02 0.09 0.00 -0.41 4.81 -1.09 -2.03 114.58 116.97 1q84 h GLU 285 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1q84 h GLU 285 Cb 0.23 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1q84 h GLU 285 CO 0.00 0.06 0.00 -1.49 -0.73 0.00 0.00 179.01 176.85 1q84 h TRP 286 N 0.10 0.00 -0.11 0.92 4.06 -1.85 -3.23 115.95 115.84 1q84 h TRP 286 Ca 0.31 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.26 1q84 h TRP 286 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 1q84 h TRP 286 CO -0.38 0.00 0.00 0.72 -3.56 0.00 0.00 178.44 175.22 1q84 n HIS 287 N -2.43 0.14 0.49 0.49 8.25 -0.76 -3.94 115.22 117.47 1q84 n HIS 287 Ca 0.04 -0.07 0.08 0.00 -0.26 0.00 0.00 57.72 57.51 1q84 n HIS 287 Cb 0.37 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.58 1q84 n HIS 287 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1q84 n VAL 288 N -0.21 0.20 -2.34 1.59 0.24 -1.22 -4.98 118.33 111.62 1q84 n VAL 288 Ca 0.09 -0.60 -0.41 0.00 -2.04 0.00 0.00 64.34 61.38 1q84 n VAL 288 Cb 0.13 1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 33.64 1q84 n VAL 288 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1q84 s LEU 289 N -1.29 4.50 0.52 1.34 1.43 -1.25 -4.85 118.68 119.07 1q84 s LEU 289 Ca 0.22 2.42 0.30 0.00 -1.03 0.00 0.00 54.13 56.04 1q84 s LEU 289 Cb 0.15 -3.63 1.16 0.00 0.03 0.00 0.00 46.19 43.89 1q84 s LEU 289 CO 0.21 -0.30 1.91 1.55 0.23 0.00 0.00 176.35 179.95 1q84 h PRO 290 N 3.80 0.00 -4.55 1.29 0.13 -1.96 -3.45 132.00 127.25 1q84 h PRO 290 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 1q84 h PRO 290 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 1q84 h PRO 290 CO 0.67 0.05 -0.63 -0.65 -0.23 0.00 0.00 178.00 177.21 1q84 s GLN 291 N -3.61 1.11 0.07 0.86 1.11 -1.26 -5.12 119.66 112.82 1q84 s GLN 291 Ca 0.02 -1.56 -0.31 0.00 0.01 0.00 0.00 55.36 53.51 1q84 s GLN 291 Cb 0.09 0.22 -0.08 0.00 -1.01 0.00 0.00 33.01 32.23 1q84 s GLN 291 CO 0.58 -0.33 1.61 -2.00 0.01 0.00 0.00 175.29 175.15 1q84 s GLU 292 N -4.11 4.21 0.23 2.91 2.12 -1.26 -4.99 118.70 117.81 1q84 s GLU 292 Ca 0.33 2.28 -0.22 0.00 0.36 0.00 0.00 54.97 57.73 1q84 s GLU 292 Cb 0.07 -3.55 0.04 0.00 0.26 0.00 0.00 34.13 30.95 1q84 s GLU 292 CO 0.08 -0.70 0.66 -1.54 -0.54 0.00 0.00 175.26 173.23 1q84 s SER 293 N 2.20 -0.40 0.22 -1.70 1.04 -1.26 -4.61 113.70 109.20 1q84 s SER 293 Ca 0.72 -0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.88 1q84 s SER 293 Cb -0.39 0.67 -0.05 0.00 0.10 0.00 0.00 66.02 66.35 1q84 s SER 293 CO 0.31 -1.18 -0.11 0.27 0.98 0.00 0.00 173.24 173.51 1q84 s ILE 294 N -3.84 1.67 -1.49 -1.02 -4.36 -1.09 -4.78 121.20 106.29 1q84 s ILE 294 Ca 0.07 -2.18 -0.12 0.00 -0.26 0.00 0.00 60.65 58.16 1q84 s ILE 294 Cb -0.04 -2.16 0.07 0.00 1.25 0.00 0.00 42.46 41.58 1q84 s ILE 294 CO -0.02 -0.51 0.90 0.33 0.24 0.00 0.00 174.94 175.88 1q84 n PHE 295 N -0.43 -2.27 -4.33 1.37 -0.00 -1.26 -4.83 117.46 105.72 1q84 n PHE 295 Ca -0.07 0.82 -0.19 0.00 -0.00 0.00 0.00 57.45 58.01 1q84 n PHE 295 Cb 0.61 -4.00 -0.13 0.00 -0.00 0.00 0.00 39.48 35.96 1q84 n PHE 295 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1q84 s ARG 296 N -6.42 0.83 -0.01 -4.13 1.81 -1.26 -4.74 118.95 105.03 1q84 s ARG 296 Ca 0.59 -0.63 0.03 0.00 -1.72 0.00 0.00 55.73 54.00 1q84 s ARG 296 Cb -0.29 -0.79 -0.01 0.00 -0.45 0.00 0.00 34.95 33.41 1q84 s ARG 296 CO 0.73 0.20 -0.10 -0.06 -0.68 0.00 0.00 175.30 175.38 1q84 s PHE 297 N -0.73 0.93 0.10 -0.53 0.08 -1.26 -5.08 117.98 111.49 1q84 s PHE 297 Ca 0.01 -0.18 -0.15 0.00 0.12 0.00 0.00 56.93 56.73 1q84 s PHE 297 Cb -0.07 -0.60 -0.08 0.00 -0.57 0.00 0.00 43.02 41.70 1q84 s PHE 297 CO 0.01 -0.02 1.44 0.77 -0.10 0.00 0.00 175.22 177.32 1q84 h SER 298 N 5.86 0.72 -3.55 1.36 0.02 -1.89 -3.41 113.55 112.66 1q84 h SER 298 Ca -0.32 -0.45 -0.62 0.00 -0.84 0.00 0.00 61.79 59.57 1q84 h SER 298 Cb 1.17 -0.20 -0.39 0.00 0.14 0.00 0.00 62.40 63.12 1q84 h SER 298 CO 0.49 1.02 -0.76 -0.36 -1.14 0.00 0.00 176.83 176.08 1q84 s PHE 299 N -4.45 2.57 0.26 3.45 0.08 -1.26 -5.01 117.98 113.62 1q84 s PHE 299 Ca -0.13 -2.05 0.01 0.00 0.12 0.00 0.00 56.93 54.89 1q84 s PHE 299 Cb 0.09 -1.92 -0.05 0.00 -0.57 0.00 0.00 43.02 40.56 1q84 s PHE 299 CO 0.82 -0.84 0.10 0.14 -0.10 0.00 0.00 175.22 175.34 1q84 s VAL 300 N 1.33 0.57 0.31 -0.44 -7.23 -1.26 -4.46 120.40 109.20 1q84 s VAL 300 Ca 0.01 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.91 1q84 s VAL 300 Cb -0.19 -2.64 -0.14 0.00 0.56 0.00 0.00 36.38 33.98 1q84 s VAL 300 CO -0.11 0.00 1.02 -2.65 -0.31 0.00 0.00 175.10 173.05 1q84 n PRO 301 N -0.47 1.39 -4.50 4.82 -0.02 -1.25 -4.68 135.00 130.28 1q84 n PRO 301 Ca -0.00 0.49 -0.33 0.00 -2.02 0.00 0.00 63.50 61.64 1q84 n PRO 301 Cb 0.66 -1.88 -0.11 0.00 -0.02 0.00 0.00 33.50 32.15 1q84 n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1q84 s VAL 302 N -1.09 3.66 -0.92 -1.45 0.11 -1.26 -1.93 120.40 117.52 1q84 s VAL 302 Ca 0.59 -0.70 -0.24 0.00 -2.93 0.00 0.00 61.98 58.70 1q84 s VAL 302 Cb -0.68 -2.56 0.02 0.00 -1.53 0.00 0.00 36.38 31.63 1q84 s VAL 302 CO 0.60 0.45 1.56 -0.69 -3.33 0.00 0.00 175.10 173.69 1q84 s VAL 303 N -0.95 3.74 -0.99 2.04 1.01 -0.50 -4.68 120.40 120.07 1q84 s VAL 303 Ca 0.16 -0.40 0.24 0.00 0.00 0.00 0.00 61.98 61.97 1q84 s VAL 303 Cb -0.11 -4.72 -0.07 0.00 0.00 0.00 0.00 36.38 31.48 1q84 s VAL 303 CO 0.06 -1.63 1.26 -0.90 0.00 0.00 0.00 175.10 173.88 1q84 n ASP 304 N 10.38 0.65 -0.30 3.32 5.75 -1.24 -3.82 116.55 131.28 1q84 n ASP 304 Ca 0.29 -0.47 -0.04 0.00 -0.01 0.00 0.00 54.79 54.56 1q84 n ASP 304 Cb 0.50 0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 41.05 1q84 n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q84 n GLY 305 N 1.50 0.62 0.00 6.12 0.00 -0.50 -4.89 105.19 108.04 1q84 n GLY 305 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1q84 n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q84 n ASP 306 N -0.08 0.00 0.01 1.61 2.03 -1.26 -4.58 116.55 114.29 1q84 n ASP 306 Ca -0.04 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.17 1q84 n ASP 306 Cb 0.26 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.62 1q84 n ASP 306 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1q84 h PHE 307 N 0.00 -0.10 -3.41 -0.67 3.04 -1.92 -3.33 116.94 110.55 1q84 h PHE 307 Ca 0.00 0.01 -0.72 0.00 3.98 0.00 0.00 57.97 61.24 1q84 h PHE 307 Cb 0.00 0.06 -0.28 0.00 2.56 0.00 0.00 35.95 38.28 1q84 h PHE 307 CO 0.00 -0.07 -0.44 -0.51 -2.02 0.00 0.00 178.31 175.26 1q84 s LEU 308 N -10.30 5.31 0.37 0.59 1.43 -1.26 -4.50 118.68 110.32 1q84 s LEU 308 Ca -0.13 -1.62 0.27 0.00 -1.03 0.00 0.00 54.13 51.62 1q84 s LEU 308 Cb 0.08 -2.00 1.27 0.00 0.03 0.00 0.00 46.19 45.58 1q84 s LEU 308 CO 0.67 -0.58 1.82 0.77 0.23 0.00 0.00 176.35 179.25 1q84 h SER 309 N 8.42 0.00 -5.03 2.29 4.64 -1.81 -1.32 113.55 120.74 1q84 h SER 309 Ca -0.22 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.11 1q84 h SER 309 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1q84 h SER 309 CO 0.79 0.00 0.29 -0.62 -0.87 0.00 0.00 176.83 176.42 1q84 s ASP 310 N -4.52 -0.05 0.64 4.97 -1.08 -1.26 -4.59 116.67 110.78 1q84 s ASP 310 Ca 0.01 -1.00 -0.18 0.00 -0.52 0.00 0.00 52.55 50.85 1q84 s ASP 310 Cb 0.09 0.80 -0.02 0.00 -1.46 0.00 0.00 42.92 42.33 1q84 s ASP 310 CO 0.36 -1.57 1.27 0.35 0.52 0.00 0.00 175.17 176.09 1q84 n THR 311 N -0.53 4.79 -0.17 1.71 -2.24 -1.26 -4.80 114.28 111.78 1q84 n THR 311 Ca -0.07 -0.50 0.11 0.00 -2.27 0.00 0.00 64.05 61.32 1q84 n THR 311 Cb 0.60 -1.47 0.43 0.00 -2.10 0.00 0.00 70.33 67.79 1q84 n THR 311 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1q84 h PRO 312 N 0.58 0.56 -0.16 -0.78 0.11 -1.97 -1.52 132.00 128.81 1q84 h PRO 312 Ca -0.51 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.60 1q84 h PRO 312 Cb 1.34 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1q84 h PRO 312 CO 0.53 0.37 -0.01 1.49 -0.21 0.00 0.00 178.00 180.17 1q84 h GLU 313 N 0.57 0.04 -0.33 1.05 4.81 -1.89 -0.96 114.58 117.87 1q84 h GLU 313 Ca 0.35 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.51 1q84 h GLU 313 Cb 0.57 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1q84 h GLU 313 CO -0.12 0.03 -0.05 0.00 -0.73 0.00 0.00 179.01 178.13 1q84 h ALA 314 N 1.14 1.29 0.05 2.92 0.00 -1.66 -2.54 119.26 120.45 1q84 h ALA 314 Ca 0.07 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 1q84 h ALA 314 Cb 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1q84 h ALA 314 CO -0.13 0.48 -1.05 -0.07 0.00 0.00 0.00 179.25 178.48 1q84 h LEU 315 N 0.51 0.41 -0.59 0.00 3.38 -0.89 -2.69 115.31 115.44 1q84 h LEU 315 Ca 0.10 -0.37 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 1q84 h LEU 315 Cb 0.41 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1q84 h LEU 315 CO 0.02 1.22 -0.70 0.16 0.09 0.00 0.00 178.44 179.23 1q84 h ILE 316 N 0.13 1.48 -0.14 1.22 3.07 -1.13 -1.43 117.51 120.71 1q84 h ILE 316 Ca -0.09 -2.34 -0.13 0.00 1.55 0.00 0.00 64.86 63.84 1q84 h ILE 316 Cb 1.73 2.26 -0.01 0.00 -0.27 0.00 0.00 36.82 40.53 1q84 h ILE 316 CO 0.17 0.67 -0.49 0.78 -1.05 0.00 0.00 178.15 178.24 1q84 h ASN 317 N 0.04 0.41 -0.11 2.16 2.35 -1.38 -3.32 115.58 115.73 1q84 h ASN 317 Ca -0.01 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1q84 h ASN 317 Cb 1.24 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1q84 h ASN 317 CO 0.10 0.84 0.00 0.35 -1.65 0.00 0.00 177.43 177.06 1q84 n THR 318 N -3.97 0.42 -2.28 2.81 -2.24 -1.02 -5.04 114.28 102.96 1q84 n THR 318 Ca -0.02 -0.71 -0.33 0.00 -2.27 0.00 0.00 64.05 60.72 1q84 n THR 318 Cb 0.55 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 69.65 1q84 n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1q84 s GLY 319 N -0.79 2.19 -0.33 3.38 0.00 -0.54 -5.04 107.32 106.19 1q84 s GLY 319 Ca 0.12 0.37 -0.10 0.00 0.00 0.00 0.00 44.72 45.11 1q84 s GLY 319 CO 0.10 0.67 0.18 -0.35 0.00 0.00 0.00 173.10 173.70 1q84 s ASP 320 N -2.70 5.64 -0.26 1.64 2.15 -1.26 -4.90 116.67 116.99 1q84 s ASP 320 Ca 0.63 -0.67 0.10 0.00 0.43 0.00 0.00 52.55 53.03 1q84 s ASP 320 Cb -0.14 -2.02 0.46 0.00 -0.30 0.00 0.00 42.92 40.92 1q84 s ASP 320 CO 0.31 -0.26 1.33 0.49 -0.17 0.00 0.00 175.17 176.87 1q84 n PHE 321 N 5.00 0.67 -0.28 -5.34 3.72 -0.76 -4.85 117.46 115.61 1q84 n PHE 321 Ca -0.13 -1.62 0.01 0.00 -0.05 0.00 0.00 57.45 55.66 1q84 n PHE 321 Cb 0.48 -0.37 0.14 0.00 -0.94 0.00 0.00 39.48 38.79 1q84 n PHE 321 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1q84 h GLN 322 N 1.09 0.80 -0.97 -1.08 1.08 -1.70 -2.76 115.11 111.58 1q84 h GLN 322 Ca 0.12 -0.05 -0.56 0.00 -1.45 0.00 0.00 58.65 56.72 1q84 h GLN 322 Cb 1.30 -0.18 -0.30 0.00 -0.05 0.00 0.00 27.48 28.26 1q84 h GLN 322 CO 0.23 0.53 0.68 -0.25 -0.95 0.00 0.00 178.83 179.07 1q84 n ASP 323 N -4.71 5.05 -4.20 1.46 8.00 -1.26 -4.57 116.55 116.32 1q84 n ASP 323 Ca 0.12 -3.68 -0.31 0.00 0.71 0.00 0.00 54.79 51.63 1q84 n ASP 323 Cb 0.22 -0.87 -0.17 0.00 -0.02 0.00 0.00 41.12 40.28 1q84 n ASP 323 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1q84 s LEU 324 N -3.48 2.04 -0.14 0.64 2.96 -1.08 -5.02 118.68 114.60 1q84 s LEU 324 Ca 0.59 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 1q84 s LEU 324 Cb 0.49 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.81 1q84 s LEU 324 CO 0.06 0.14 -0.04 -1.10 -1.32 0.00 0.00 176.35 174.10 1q84 s GLN 325 N 0.38 3.50 -0.01 1.98 1.11 -1.26 -1.49 119.66 123.87 1q84 s GLN 325 Ca -0.18 -0.52 0.02 0.00 0.01 0.00 0.00 55.36 54.68 1q84 s GLN 325 Cb -0.18 -2.86 -0.00 0.00 -1.01 0.00 0.00 33.01 28.97 1q84 s GLN 325 CO 0.08 0.33 -0.05 0.08 0.01 0.00 0.00 175.29 175.74 1q84 s VAL 326 N 0.11 0.42 -0.15 1.09 1.01 -0.23 -2.40 120.40 120.26 1q84 s VAL 326 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1q84 s VAL 326 Cb -0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 1q84 s VAL 326 CO 0.03 0.13 -0.13 -0.22 0.00 0.00 0.00 175.10 174.91 1q84 s LEU 327 N -0.02 2.65 0.08 3.92 2.96 -0.52 -1.18 118.68 126.57 1q84 s LEU 327 Ca 0.01 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 1q84 s LEU 327 Cb -0.03 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1q84 s LEU 327 CO -0.00 0.11 -0.09 0.68 -1.32 0.00 0.00 176.35 175.73 1q84 s VAL 328 N 0.70 0.77 -0.03 1.68 -7.23 0.29 -1.22 120.40 115.36 1q84 s VAL 328 Ca -0.06 -1.59 -0.09 0.00 -1.81 0.00 0.00 61.98 58.42 1q84 s VAL 328 Cb -0.15 -1.27 0.03 0.00 0.56 0.00 0.00 36.38 35.54 1q84 s VAL 328 CO 0.02 -0.61 0.42 0.61 -0.31 0.00 0.00 175.10 175.23 1q84 n GLY 329 N 0.60 0.32 3.17 2.32 0.00 -1.05 -1.51 105.19 109.03 1q84 n GLY 329 Ca -0.17 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 1q84 n GLY 329 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q84 s VAL 330 N -2.02 0.11 0.36 1.61 -7.23 -0.98 -0.21 120.40 112.05 1q84 s VAL 330 Ca 0.10 -1.84 0.06 0.00 -1.81 0.00 0.00 61.98 58.49 1q84 s VAL 330 Cb -0.00 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 1q84 s VAL 330 CO -0.01 -0.49 0.51 0.68 -0.31 0.00 0.00 175.10 175.49 1q84 s VAL 331 N -4.03 3.94 0.43 1.32 -7.23 -1.26 -0.34 120.40 113.23 1q84 s VAL 331 Ca 0.22 -0.92 0.17 0.00 -1.81 0.00 0.00 61.98 59.64 1q84 s VAL 331 Cb 0.07 -3.37 0.20 0.00 0.56 0.00 0.00 36.38 33.83 1q84 s VAL 331 CO 0.01 -0.16 1.99 0.50 -0.31 0.00 0.00 175.10 177.12 1q84 h LYS 332 N 0.79 0.00 -2.07 4.82 3.64 -1.36 -3.31 116.57 119.08 1q84 h LYS 332 Ca -0.45 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.39 1q84 h LYS 332 Cb 1.26 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.68 1q84 h LYS 332 CO 0.53 0.20 -1.02 -0.25 -2.27 0.00 0.00 179.45 176.64 1q84 n ASP 333 N -4.12 1.57 -0.31 4.20 9.92 -0.57 -4.91 116.55 122.32 1q84 n ASP 333 Ca -0.02 -3.08 0.07 0.00 -0.53 0.00 0.00 54.79 51.23 1q84 n ASP 333 Cb 0.27 -0.62 0.23 0.00 -0.64 0.00 0.00 41.12 40.36 1q84 n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1q84 h GLU 334 N 3.41 0.68 -0.00 -1.24 4.39 -1.74 -2.94 114.58 117.14 1q84 h GLU 334 Ca 0.11 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1q84 h GLU 334 Cb 0.83 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1q84 h GLU 334 CO 0.58 0.45 -0.40 0.41 -1.16 0.00 0.00 179.01 178.89 1q84 n GLY 335 N -1.33 -0.86 0.14 -3.84 0.00 -1.25 -4.14 105.19 93.91 1q84 n GLY 335 Ca 0.18 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 1q84 n GLY 335 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1q84 h SER 336 N 0.71 0.02 0.60 1.61 4.64 -1.72 -3.07 113.55 116.34 1q84 h SER 336 Ca 0.00 0.05 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 1q84 h SER 336 Cb 0.51 0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1q84 h SER 336 CO 0.00 0.05 -0.78 0.10 -0.87 0.00 0.00 176.83 175.33 1q84 h TYR 337 N 0.18 0.19 -0.34 4.77 -0.00 -1.82 -2.96 116.97 117.00 1q84 h TYR 337 Ca 0.15 -0.09 0.10 0.00 0.00 0.00 0.00 58.73 58.88 1q84 h TYR 337 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 36.73 36.85 1q84 h TYR 337 CO -0.17 0.86 0.28 0.74 -0.00 0.00 0.00 178.16 179.86 1q84 h PHE 338 N 0.08 0.00 -0.42 0.10 -1.00 -1.84 -2.31 116.94 111.55 1q84 h PHE 338 Ca -0.02 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.73 1q84 h PHE 338 Cb 1.37 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.91 1q84 h PHE 338 CO 0.02 0.00 0.13 -0.07 -1.61 0.00 0.00 178.31 176.78 1q84 h LEU 339 N 0.00 0.55 -0.02 1.54 3.38 -1.60 -2.30 115.31 116.86 1q84 h LEU 339 Ca 0.16 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1q84 h LEU 339 Cb 0.71 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1q84 h LEU 339 CO -0.00 0.53 0.00 1.33 0.09 0.00 0.00 178.44 180.39 1q84 n VAL 340 N -4.35 0.28 -0.01 1.22 0.24 -0.87 -1.44 118.33 113.40 1q84 n VAL 340 Ca 0.03 -0.08 -0.04 0.00 -2.04 0.00 0.00 64.34 62.21 1q84 n VAL 340 Cb 0.17 -0.57 0.15 0.00 -1.47 0.00 0.00 33.84 32.11 1q84 n VAL 340 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1q84 n TYR 341 N -1.79 1.27 0.00 6.34 4.02 -0.86 -4.72 117.16 121.42 1q84 n TYR 341 Ca 0.06 -0.75 0.00 0.00 -0.01 0.00 0.00 57.90 57.20 1q84 n TYR 341 Cb 0.36 -0.45 0.00 0.00 -0.02 0.00 0.00 39.34 39.23 1q84 n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q84 n GLY 342 N 0.01 -0.16 3.58 2.72 0.00 -1.18 -4.95 105.19 105.21 1q84 n GLY 342 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1q84 n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q84 s VAL 343 N 0.00 5.16 0.26 1.61 1.01 -0.52 -5.00 120.40 122.92 1q84 s VAL 343 Ca 0.00 0.36 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 1q84 s VAL 343 Cb 0.00 -3.76 -0.13 0.00 0.00 0.00 0.00 36.38 32.49 1q84 s VAL 343 CO 0.00 0.04 1.37 -2.65 0.00 0.00 0.00 175.10 173.86 1q84 n PRO 344 N 5.38 2.03 0.00 2.72 -0.02 -1.26 -2.53 135.00 141.32 1q84 n PRO 344 Ca -0.09 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1q84 n PRO 344 Cb 0.50 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1q84 n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q84 n GLY 345 N 1.83 1.15 3.54 -1.23 0.00 -1.26 -4.93 105.19 104.29 1q84 n GLY 345 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1q84 n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q84 s PHE 346 N -2.16 2.95 0.03 1.61 0.40 -1.05 -4.59 117.98 115.17 1q84 s PHE 346 Ca 0.00 -0.14 -0.18 0.00 -0.60 0.00 0.00 56.93 56.01 1q84 s PHE 346 Cb 0.00 -1.80 0.04 0.00 0.51 0.00 0.00 43.02 41.77 1q84 s PHE 346 CO 0.00 0.17 0.41 0.45 0.70 0.00 0.00 175.22 176.95 1q84 s SER 347 N -0.34 -0.29 0.46 1.36 0.15 -1.26 -4.64 113.70 109.14 1q84 s SER 347 Ca 0.05 0.06 0.25 0.00 0.70 0.00 0.00 55.95 57.01 1q84 s SER 347 Cb -0.12 0.41 0.70 0.00 -1.71 0.00 0.00 66.02 65.29 1q84 s SER 347 CO 0.02 -0.62 1.73 0.07 1.20 0.00 0.00 173.24 175.64 1q84 h LYS 348 N 3.16 0.00 -0.02 5.44 2.10 -1.99 -3.34 116.57 121.92 1q84 h LYS 348 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1q84 h LYS 348 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1q84 h LYS 348 CO 0.43 0.09 -0.11 -0.25 -2.00 0.00 0.00 179.45 177.61 1q84 n ASP 349 N -3.15 1.83 -3.09 7.07 8.00 -1.26 -4.47 116.55 121.48 1q84 n ASP 349 Ca 0.02 -1.50 -0.18 0.00 0.71 0.00 0.00 54.79 53.84 1q84 n ASP 349 Cb 0.47 0.08 -0.07 0.00 -0.02 0.00 0.00 41.12 41.58 1q84 n ASP 349 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1q84 n ASN 350 N 0.27 -0.72 -0.02 -2.24 0.23 -1.25 -5.06 115.26 106.46 1q84 n ASN 350 Ca 0.15 -3.05 0.15 0.00 -0.53 0.00 0.00 54.58 51.30 1q84 n ASN 350 Cb 0.43 1.65 0.75 0.00 -2.08 0.00 0.00 39.78 40.53 1q84 n ASN 350 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1q84 n GLU 351 N -0.60 0.51 -3.77 -3.83 1.02 -1.26 -4.76 120.64 107.96 1q84 n GLU 351 Ca 0.07 -0.04 -0.26 0.00 -0.02 0.00 0.00 57.16 56.91 1q84 n GLU 351 Cb 0.57 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.54 1q84 n GLU 351 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1q84 n SER 352 N -1.21 -4.45 -4.64 1.62 7.64 -1.26 -4.92 113.62 106.39 1q84 n SER 352 Ca 0.15 -0.71 -0.43 0.00 1.01 0.00 0.00 58.87 58.89 1q84 n SER 352 Cb 0.24 -4.29 -0.02 0.00 -1.01 0.00 0.00 64.21 59.12 1q84 n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1q84 s LEU 353 N -7.14 4.03 0.23 -3.43 1.43 -1.26 -4.71 118.68 107.83 1q84 s LEU 353 Ca 0.49 1.50 0.10 0.00 -1.03 0.00 0.00 54.13 55.19 1q84 s LEU 353 Cb -0.24 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 1q84 s LEU 353 CO 0.79 -0.95 -0.08 0.27 0.23 0.00 0.00 176.35 176.61 1q84 s ILE 354 N 4.07 3.17 0.72 -0.59 -4.36 -1.24 -5.01 121.20 117.96 1q84 s ILE 354 Ca 0.58 -1.88 -0.10 0.00 -0.26 0.00 0.00 60.65 58.99 1q84 s ILE 354 Cb -0.20 -2.63 0.04 0.00 1.25 0.00 0.00 42.46 40.91 1q84 s ILE 354 CO 0.20 -0.26 1.09 -0.94 0.24 0.00 0.00 174.94 175.27 1q84 s SER 355 N -3.26 5.14 0.18 4.36 1.04 -1.26 -4.24 113.70 115.67 1q84 s SER 355 Ca 0.28 0.91 -0.13 0.00 0.48 0.00 0.00 55.95 57.50 1q84 s SER 355 Cb -0.07 -1.64 0.17 0.00 0.10 0.00 0.00 66.02 64.58 1q84 s SER 355 CO 0.17 -1.49 1.75 -0.09 0.98 0.00 0.00 173.24 174.56 1q84 h ARG 356 N -0.70 0.34 -0.90 4.02 2.43 -1.90 -1.56 114.38 116.12 1q84 h ARG 356 Ca -0.45 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 58.74 1q84 h ARG 356 Cb 1.28 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.70 1q84 h ARG 356 CO 0.64 0.23 0.57 0.00 -1.51 0.00 0.00 179.97 179.90 1q84 h ALA 357 N 1.33 1.21 -0.13 2.80 0.00 -2.00 -0.46 119.26 122.01 1q84 h ALA 357 Ca 0.23 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1q84 h ALA 357 Cb 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1q84 h ALA 357 CO -0.24 0.38 -0.29 1.96 0.00 0.00 0.00 179.25 181.06 1q84 h GLN 358 N 1.08 0.24 -0.17 0.00 4.20 -1.86 -2.23 115.11 116.37 1q84 h GLN 358 Ca 0.37 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.96 1q84 h GLN 358 Cb 0.08 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1q84 h GLN 358 CO -0.14 0.51 -0.05 0.35 -0.67 0.00 0.00 178.83 178.83 1q84 h PHE 359 N 0.21 0.38 -0.95 2.96 -0.00 -0.12 0.81 116.94 120.24 1q84 h PHE 359 Ca 0.03 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.97 57.91 1q84 h PHE 359 Cb 0.63 -0.09 -0.05 0.00 -0.00 0.00 0.00 35.95 36.44 1q84 h PHE 359 CO 0.01 0.61 0.57 -0.07 -0.00 0.00 0.00 178.31 179.43 1q84 h LEU 360 N 0.05 1.13 -0.47 0.59 3.38 -1.06 -1.30 115.31 117.64 1q84 h LEU 360 Ca 0.04 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1q84 h LEU 360 Cb 0.49 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1q84 h LEU 360 CO 0.02 0.86 -0.56 0.00 0.09 0.00 0.00 178.44 178.85 1q84 h ALA 361 N 1.33 0.65 -0.39 1.53 0.00 -1.36 -2.89 119.26 118.12 1q84 h ALA 361 Ca 0.34 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1q84 h ALA 361 Cb -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1q84 h ALA 361 CO -0.06 0.69 0.09 0.78 0.00 0.00 0.00 179.25 180.75 1q84 h GLY 362 N 1.00 0.63 1.32 0.00 0.00 -0.32 -2.97 103.07 102.72 1q84 h GLY 362 Ca 0.01 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 1q84 h GLY 362 CO 0.11 0.31 -0.35 -2.08 0.00 0.00 0.00 176.54 174.53 1q84 h VAL 363 N 0.57 1.28 -0.31 4.60 2.07 -1.05 0.69 116.25 124.11 1q84 h VAL 363 Ca 0.13 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.11 1q84 h VAL 363 Cb 0.23 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1q84 h VAL 363 CO -0.00 0.49 0.06 0.03 0.02 0.00 0.00 177.57 178.18 1q84 h ARG 364 N 0.63 0.45 0.23 1.57 2.47 -1.37 0.16 114.38 118.53 1q84 h ARG 364 Ca 0.06 -0.07 -0.31 0.00 -1.26 0.00 0.00 59.98 58.40 1q84 h ARG 364 Cb 0.89 -0.08 0.04 0.00 -1.65 0.00 0.00 29.97 29.17 1q84 h ARG 364 CO 0.08 0.43 -1.36 0.82 0.56 0.00 0.00 179.97 180.49 1q84 h ILE 365 N 0.44 1.32 0.00 2.04 2.04 -1.37 -3.07 117.51 118.91 1q84 h ILE 365 Ca 0.10 -2.66 0.00 0.00 1.00 0.00 0.00 64.86 63.31 1q84 h ILE 365 Cb 0.19 3.05 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 1q84 h ILE 365 CO -0.00 0.79 0.00 1.23 0.00 0.00 0.00 178.15 180.17 1q84 h GLY 366 N 0.07 0.00 -5.93 5.37 0.00 -0.66 -2.88 103.07 99.04 1q84 h GLY 366 Ca -0.24 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.54 1q84 h GLY 366 CO 0.26 0.00 -0.94 -0.62 0.00 0.00 0.00 176.54 175.24 1q84 n VAL 367 N -2.56 0.73 0.27 4.60 0.31 0.56 -4.85 118.33 117.40 1q84 n VAL 367 Ca 0.05 -4.68 0.14 0.00 -0.01 0.00 0.00 64.34 59.84 1q84 n VAL 367 Cb 0.46 -1.48 0.77 0.00 -0.91 0.00 0.00 33.84 32.68 1q84 n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1q84 h PRO 368 N 3.63 0.00 -0.01 5.55 0.13 -1.64 -1.80 132.00 137.86 1q84 h PRO 368 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1q84 h PRO 368 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1q84 h PRO 368 CO 0.61 0.09 -0.12 0.00 -0.23 0.00 0.00 178.00 178.36 1q84 n GLN 369 N -3.49 0.81 -2.90 0.86 0.00 -1.26 -4.92 117.38 106.48 1q84 n GLN 369 Ca -0.02 -0.32 -0.40 0.00 0.00 0.00 0.00 57.00 56.26 1q84 n GLN 369 Cb 0.23 -1.49 -0.05 0.00 0.00 0.00 0.00 30.24 28.93 1q84 n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1q84 s ALA 370 N -2.41 3.34 1.25 2.61 0.00 -0.68 -5.07 121.76 120.80 1q84 s ALA 370 Ca 0.30 0.39 -0.20 0.00 0.00 0.00 0.00 51.96 52.45 1q84 s ALA 370 Cb 0.20 -3.09 0.31 0.00 0.00 0.00 0.00 23.12 20.54 1q84 s ALA 370 CO 0.46 0.06 1.07 -1.54 0.00 0.00 0.00 175.76 175.81 1q84 s SER 371 N -0.16 0.47 0.09 0.00 1.04 -1.26 -4.74 113.70 109.13 1q84 s SER 371 Ca 0.41 0.69 -0.22 0.00 0.48 0.00 0.00 55.95 57.31 1q84 s SER 371 Cb -0.22 -0.96 -0.12 0.00 0.10 0.00 0.00 66.02 64.82 1q84 s SER 371 CO 0.26 -4.41 1.68 0.44 0.98 0.00 0.00 173.24 172.19 1q84 h ASP 372 N -2.77 0.11 -0.44 7.02 5.19 -1.99 -1.75 116.42 121.79 1q84 h ASP 372 Ca -0.45 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 55.88 1q84 h ASP 372 Cb 1.30 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.76 1q84 h ASP 372 CO 0.33 0.16 0.27 0.25 -3.12 0.00 0.00 179.24 177.13 1q84 h LEU 373 N 0.05 0.52 -1.04 1.55 5.85 -1.99 -1.10 115.31 119.16 1q84 h LEU 373 Ca 0.03 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1q84 h LEU 373 Cb 0.08 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1q84 h LEU 373 CO -0.01 0.41 0.15 0.00 -0.34 0.00 0.00 178.44 178.66 1q84 h ALA 374 N 1.13 1.22 0.00 1.25 0.00 -1.89 -0.79 119.26 120.18 1q84 h ALA 374 Ca 0.16 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1q84 h ALA 374 Cb -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1q84 h ALA 374 CO -0.03 0.54 -0.62 0.00 0.00 0.00 0.00 179.25 179.14 1q84 h ALA 375 N 1.35 0.90 -0.31 0.00 0.00 -1.05 -1.68 119.26 118.47 1q84 h ALA 375 Ca 0.18 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 1q84 h ALA 375 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1q84 h ALA 375 CO -0.00 0.78 -0.44 1.49 0.00 0.00 0.00 179.25 181.08 1q84 h GLU 376 N 0.00 0.80 -0.64 0.00 4.57 -0.71 -1.62 114.58 116.97 1q84 h GLU 376 Ca -0.01 -0.44 -0.04 0.00 -1.18 0.00 0.00 59.36 57.69 1q84 h GLU 376 Cb 1.15 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 1q84 h GLU 376 CO 0.08 1.08 0.25 0.00 -1.18 0.00 0.00 179.01 179.23 1q84 h ALA 377 N 0.86 1.22 -0.15 2.92 0.00 -0.82 0.73 119.26 124.03 1q84 h ALA 377 Ca 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1q84 h ALA 377 Cb 1.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1q84 h ALA 377 CO 0.10 0.56 0.00 0.28 0.00 0.00 0.00 179.25 180.19 1q84 h VAL 378 N 0.93 1.25 -0.45 0.00 2.07 -1.15 -1.07 116.25 117.82 1q84 h VAL 378 Ca 0.22 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1q84 h VAL 378 Cb 0.20 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1q84 h VAL 378 CO -0.02 0.24 0.30 0.58 0.02 0.00 0.00 177.57 178.69 1q84 h VAL 379 N 0.00 1.12 -0.24 2.57 2.07 -1.04 -1.89 116.25 118.84 1q84 h VAL 379 Ca 0.04 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 1q84 h VAL 379 Cb 0.36 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1q84 h VAL 379 CO 0.01 0.11 -0.16 -0.07 0.02 0.00 0.00 177.57 177.48 1q84 h LEU 380 N 0.61 0.39 -0.52 2.57 3.38 -0.80 -1.12 115.31 119.84 1q84 h LEU 380 Ca 0.17 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 1q84 h LEU 380 Cb -0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1q84 h LEU 380 CO -0.04 0.58 -0.60 -0.74 0.09 0.00 0.00 178.44 177.73 1q84 h HIS 381 N 0.38 0.60 0.00 1.13 2.76 -0.78 -3.33 115.15 115.91 1q84 h HIS 381 Ca 0.07 -0.23 0.00 0.00 -2.20 0.00 0.00 60.37 58.01 1q84 h HIS 381 Cb 0.50 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.35 1q84 h HIS 381 CO 0.01 0.95 -1.24 0.66 -1.30 0.00 0.00 177.93 177.02 1q84 n TYR 382 N -3.92 0.00 -2.06 5.26 4.02 -0.75 -4.88 117.16 114.83 1q84 n TYR 382 Ca -0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.45 1q84 n TYR 382 Cb 0.63 -0.12 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 1q84 n TYR 382 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1q84 s THR 383 N -3.11 2.63 -0.44 -0.72 2.01 -0.44 -4.89 115.64 110.68 1q84 s THR 383 Ca 0.04 0.61 -0.19 0.00 0.31 0.00 0.00 61.69 62.46 1q84 s THR 383 Cb 0.15 -3.39 0.03 0.00 0.01 0.00 0.00 72.50 69.30 1q84 s THR 383 CO 0.87 0.14 0.56 -0.62 -0.69 0.00 0.00 174.62 174.88 1q84 s ASP 384 N -0.27 6.26 0.03 3.53 -1.08 -1.26 -4.96 116.67 118.92 1q84 s ASP 384 Ca 0.51 -0.57 0.23 0.00 -0.52 0.00 0.00 52.55 52.20 1q84 s ASP 384 Cb -0.41 -2.28 0.97 0.00 -1.46 0.00 0.00 42.92 39.75 1q84 s ASP 384 CO 0.52 -0.73 1.74 0.79 0.52 0.00 0.00 175.17 178.01 1q84 n TRP 385 N 6.00 0.10 0.09 -5.34 7.02 -1.26 -1.01 117.44 123.05 1q84 n TRP 385 Ca -0.05 0.03 -0.07 0.00 -1.02 0.00 0.00 57.50 56.40 1q84 n TRP 385 Cb 0.47 -0.56 0.02 0.00 -2.42 0.00 0.00 31.31 28.83 1q84 n TRP 385 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1q84 h LEU 386 N 0.00 0.17 -5.45 -0.99 3.38 -2.04 -3.39 115.31 106.99 1q84 h LEU 386 Ca 0.00 -0.13 -0.48 0.00 0.09 0.00 0.00 57.88 57.36 1q84 h LEU 386 Cb 0.42 -0.05 -0.41 0.00 0.09 0.00 0.00 40.66 40.71 1q84 h LEU 386 CO 0.00 0.92 -1.05 1.41 0.09 0.00 0.00 178.44 179.81 1q84 n HIS 387 N -3.66 1.49 0.33 1.13 8.25 -0.18 -4.98 115.22 117.61 1q84 n HIS 387 Ca -0.02 -3.51 0.22 0.00 -0.26 0.00 0.00 57.72 54.14 1q84 n HIS 387 Cb 0.77 -0.39 1.16 0.00 1.12 0.00 0.00 29.99 32.66 1q84 n HIS 387 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1q84 h PRO 388 N 2.95 0.00 -0.02 -0.41 0.13 -1.42 -2.36 132.00 130.87 1q84 h PRO 388 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1q84 h PRO 388 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1q84 h PRO 388 CO 0.60 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.76 1q84 n GLU 389 N -3.14 1.20 -2.17 0.86 1.02 -1.26 -4.87 120.64 112.28 1q84 n GLU 389 Ca -0.03 -1.10 -0.42 0.00 -0.02 0.00 0.00 57.16 55.59 1q84 n GLU 389 Cb 0.09 -1.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.46 1q84 n GLU 389 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1q84 s ASP 390 N -0.58 6.79 0.31 1.62 2.15 -0.89 -4.77 116.67 121.31 1q84 s ASP 390 Ca 0.02 2.11 0.08 0.00 0.43 0.00 0.00 52.55 55.19 1q84 s ASP 390 Cb 0.01 -2.55 0.52 0.00 -0.30 0.00 0.00 42.92 40.60 1q84 s ASP 390 CO 0.02 -0.80 1.74 -0.65 -0.17 0.00 0.00 175.17 175.31 1q84 h PRO 391 N 8.41 0.21 -0.58 4.34 0.11 -1.91 -1.74 132.00 140.84 1q84 h PRO 391 Ca -0.37 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1q84 h PRO 391 Cb 1.17 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1q84 h PRO 391 CO 0.93 0.56 0.21 1.15 -0.21 0.00 0.00 178.00 180.64 1q84 h THR 392 N 0.18 1.23 -0.46 -1.15 2.02 -1.91 -1.83 112.91 110.99 1q84 h THR 392 Ca 0.02 -0.76 -0.13 0.00 0.77 0.00 0.00 66.41 66.31 1q84 h THR 392 Cb 0.75 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1q84 h THR 392 CO 0.06 0.29 -0.24 0.45 0.37 0.00 0.00 175.52 176.45 1q84 h HIS 393 N 0.81 1.12 -0.52 3.16 3.86 -1.81 -2.48 115.15 119.29 1q84 h HIS 393 Ca 0.19 -0.28 -0.10 0.00 -1.16 0.00 0.00 60.37 59.02 1q84 h HIS 393 Cb 0.24 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1q84 h HIS 393 CO 0.01 1.10 -0.07 -0.07 0.86 0.00 0.00 177.93 179.76 1q84 h LEU 394 N 0.83 0.93 0.13 2.43 3.38 -1.25 -0.78 115.31 120.98 1q84 h LEU 394 Ca 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1q84 h LEU 394 Cb 0.81 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1q84 h LEU 394 CO 0.07 1.03 -0.06 -0.09 0.09 0.00 0.00 178.44 179.48 1q84 h ARG 395 N 0.85 -0.16 0.00 1.13 1.12 -1.30 -1.24 114.38 114.78 1q84 h ARG 395 Ca 0.14 0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 59.00 1q84 h ARG 395 Cb 0.60 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.60 1q84 h ARG 395 CO 0.04 0.06 -0.12 -0.44 -3.11 0.00 0.00 179.97 176.40 1q84 h ASP 396 N -0.37 0.00 0.35 -3.80 3.32 -1.38 -2.33 116.42 112.21 1q84 h ASP 396 Ca -0.02 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.78 1q84 h ASP 396 Cb 0.30 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.86 1q84 h ASP 396 CO 0.03 0.12 -1.09 0.00 -1.72 0.00 0.00 179.24 176.58 1q84 h ALA 397 N 1.88 0.21 -0.75 3.45 0.00 -0.92 -1.25 119.26 121.88 1q84 h ALA 397 Ca -0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 1q84 h ALA 397 Cb 0.23 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1q84 h ALA 397 CO 0.02 0.82 0.43 1.98 0.00 0.00 0.00 179.25 182.50 1q84 h MET 398 N 0.21 1.03 -0.35 0.00 1.85 -0.85 0.28 114.93 117.10 1q84 h MET 398 Ca -0.12 -0.11 -0.02 0.00 -0.61 0.00 0.00 59.70 58.84 1q84 h MET 398 Cb 1.76 -0.21 -0.02 0.00 0.43 0.00 0.00 31.60 33.56 1q84 h MET 398 CO 0.19 0.75 0.13 1.03 -0.40 0.00 0.00 176.91 178.61 1q84 h SER 399 N 1.03 0.49 -0.83 1.39 0.87 -1.33 -2.83 113.55 112.34 1q84 h SER 399 Ca 0.27 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 1q84 h SER 399 Cb 0.00 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 1q84 h SER 399 CO -0.05 0.53 0.40 0.00 -0.53 0.00 0.00 176.83 177.19 1q84 h ALA 400 N 0.98 1.07 -0.34 6.23 0.00 -0.81 -0.73 119.26 125.65 1q84 h ALA 400 Ca 0.12 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1q84 h ALA 400 Cb 0.20 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1q84 h ALA 400 CO -0.01 0.63 0.07 0.28 0.00 0.00 0.00 179.25 180.22 1q84 h VAL 401 N 1.17 0.85 -0.17 0.00 2.07 -0.80 0.18 116.25 119.55 1q84 h VAL 401 Ca 0.28 -0.07 -0.15 0.00 0.82 0.00 0.00 66.70 67.59 1q84 h VAL 401 Cb 0.11 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1q84 h VAL 401 CO -0.04 0.04 -0.46 0.58 0.02 0.00 0.00 177.57 177.71 1q84 h VAL 402 N 0.19 1.33 -0.62 2.57 2.07 -1.26 -1.53 116.25 119.00 1q84 h VAL 402 Ca 0.16 -1.71 -0.07 0.00 0.82 0.00 0.00 66.70 65.90 1q84 h VAL 402 Cb 0.17 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1q84 h VAL 402 CO -0.20 0.53 0.13 1.23 0.02 0.00 0.00 177.57 179.28 1q84 h GLY 403 N 0.29 1.09 0.71 2.17 0.00 -0.97 -2.61 103.07 103.75 1q84 h GLY 403 Ca -0.01 -0.70 -0.09 0.00 0.00 0.00 0.00 47.33 46.53 1q84 h GLY 403 CO 0.10 0.65 -0.29 -0.55 0.00 0.00 0.00 176.54 176.45 1q84 h ASP 404 N 0.92 0.42 -0.77 0.19 3.32 -0.57 -0.50 116.42 119.42 1q84 h ASP 404 Ca 0.19 -0.61 -0.03 0.00 0.02 0.00 0.00 57.03 56.61 1q84 h ASP 404 Cb 0.39 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 1q84 h ASP 404 CO 0.01 0.95 0.38 -0.74 -1.72 0.00 0.00 179.24 178.12 1q84 h HIS 405 N -0.10 1.10 0.00 4.55 2.76 -1.33 -1.14 115.15 121.00 1q84 h HIS 405 Ca -0.01 -0.05 -0.33 0.00 -2.20 0.00 0.00 60.37 57.78 1q84 h HIS 405 Cb 0.91 -0.34 -0.06 0.00 1.55 0.00 0.00 27.41 29.47 1q84 h HIS 405 CO 0.12 0.80 -2.04 0.09 -1.30 0.00 0.00 177.93 175.60 1q84 n ASN 406 N -4.39 0.50 0.05 3.26 3.02 -0.99 -4.57 115.26 112.15 1q84 n ASN 406 Ca 0.07 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1q84 n ASN 406 Cb 0.13 0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 1q84 n ASN 406 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1q84 n VAL 407 N -2.92 0.49 -0.18 2.41 0.31 -0.30 -4.74 118.33 113.40 1q84 n VAL 407 Ca -0.25 0.16 -0.07 0.00 -0.01 0.00 0.00 64.34 64.17 1q84 n VAL 407 Cb 1.10 -0.99 0.02 0.00 -0.91 0.00 0.00 33.84 33.06 1q84 n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1q84 h VAL 408 N 0.00 1.16 -0.01 2.52 2.07 -1.33 -0.30 116.25 120.37 1q84 h VAL 408 Ca 0.00 -0.37 -0.15 0.00 0.82 0.00 0.00 66.70 66.99 1q84 h VAL 408 Cb 0.00 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1q84 h VAL 408 CO 0.00 0.17 -0.60 0.00 0.02 0.00 0.00 177.57 177.16 1q84 h PRO 410 N -0.10 0.76 -0.50 0.00 0.11 -1.71 -1.07 132.00 129.48 1q84 h PRO 410 Ca -0.07 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.94 1q84 h PRO 410 Cb 1.31 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1q84 h PRO 410 CO 0.12 0.50 0.12 0.28 -0.21 0.00 0.00 178.00 178.81 1q84 h VAL 411 N 0.78 1.24 -0.41 3.15 2.07 -0.90 -1.38 116.25 120.81 1q84 h VAL 411 Ca 0.52 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1q84 h VAL 411 Cb 0.79 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1q84 h VAL 411 CO -0.30 0.31 -0.06 0.00 0.02 0.00 0.00 177.57 177.54 1q84 h ALA 412 N 0.99 1.14 -0.40 1.67 0.00 -0.82 -0.61 119.26 121.23 1q84 h ALA 412 Ca 0.16 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1q84 h ALA 412 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1q84 h ALA 412 CO 0.00 0.55 -0.09 0.37 0.00 0.00 0.00 179.25 180.08 1q84 h GLN 413 N 0.64 0.76 -0.06 0.00 4.15 -1.08 -1.88 115.11 117.64 1q84 h GLN 413 Ca 0.12 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.25 1q84 h GLN 413 Cb 0.48 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 1q84 h GLN 413 CO 0.03 0.89 0.02 1.25 -1.93 0.00 0.00 178.83 179.09 1q84 h LEU 414 N 0.57 0.09 -0.55 -2.39 5.85 -1.00 -1.50 115.31 116.38 1q84 h LEU 414 Ca 0.10 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1q84 h LEU 414 Cb 0.60 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1q84 h LEU 414 CO 0.04 0.26 0.29 0.00 -0.34 0.00 0.00 178.44 178.69 1q84 h ALA 415 N 0.84 0.72 -0.29 1.25 0.00 -1.11 0.04 119.26 120.71 1q84 h ALA 415 Ca 0.02 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1q84 h ALA 415 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1q84 h ALA 415 CO -0.00 -0.04 0.17 0.78 0.00 0.00 0.00 179.25 180.16 1q84 h GLY 416 N 0.57 0.42 0.83 0.00 0.00 -1.25 -1.04 103.07 102.60 1q84 h GLY 416 Ca 0.24 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 1q84 h GLY 416 CO -0.16 0.17 -0.14 3.21 0.00 0.00 0.00 176.54 179.63 1q84 h ARG 417 N 0.36 0.48 -0.82 4.80 2.47 -0.81 -1.83 114.38 119.03 1q84 h ARG 417 Ca 0.10 -0.22 0.03 0.00 -1.26 0.00 0.00 59.98 58.63 1q84 h ARG 417 Cb 0.02 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.28 1q84 h ARG 417 CO -0.02 0.78 0.53 -0.07 0.56 0.00 0.00 179.97 181.75 1q84 h LEU 418 N 0.18 0.89 -0.36 3.04 3.38 -0.96 -2.01 115.31 119.47 1q84 h LEU 418 Ca 0.05 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1q84 h LEU 418 Cb 0.65 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1q84 h LEU 418 CO 0.04 0.62 -0.14 0.00 0.09 0.00 0.00 178.44 179.04 1q84 h ALA 419 N 1.33 0.50 0.00 1.53 0.00 -1.09 -1.10 119.26 120.44 1q84 h ALA 419 Ca 0.32 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1q84 h ALA 419 Cb -0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1q84 h ALA 419 CO -0.10 0.41 -0.10 0.00 0.00 0.00 0.00 179.25 179.46 1q84 h ALA 420 N 0.80 1.46 -0.40 0.00 0.00 -1.14 -3.05 119.26 116.94 1q84 h ALA 420 Ca 0.08 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1q84 h ALA 420 Cb 0.68 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.32 1q84 h ALA 420 CO 0.05 0.12 -0.08 1.04 0.00 0.00 0.00 179.25 180.37 1q84 n GLN 421 N -3.87 1.94 0.00 0.00 6.02 -0.77 -4.94 117.38 115.75 1q84 n GLN 421 Ca -0.02 -3.25 0.00 0.00 -0.01 0.00 0.00 57.00 53.72 1q84 n GLN 421 Cb 0.19 -1.86 0.00 0.00 1.02 0.00 0.00 30.24 29.59 1q84 n GLN 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1q84 n GLY 422 N -1.11 0.30 3.80 1.08 0.00 -1.14 -1.83 105.19 106.29 1q84 n GLY 422 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 1q84 n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q84 s ALA 423 N -2.00 3.09 -0.24 4.61 0.00 -0.44 -4.04 121.76 122.73 1q84 s ALA 423 Ca 0.00 0.47 -0.25 0.00 0.00 0.00 0.00 51.96 52.18 1q84 s ALA 423 Cb 0.00 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 1q84 s ALA 423 CO 0.00 0.10 0.87 0.50 0.00 0.00 0.00 175.76 177.23 1q84 s ARG 424 N -2.78 4.19 -0.06 0.00 3.52 -0.56 -4.41 118.95 118.86 1q84 s ARG 424 Ca 0.58 1.02 0.04 0.00 -0.13 0.00 0.00 55.73 57.24 1q84 s ARG 424 Cb -0.13 -3.65 -0.00 0.00 -1.56 0.00 0.00 34.95 29.61 1q84 s ARG 424 CO 0.18 -0.55 -0.18 0.08 -0.81 0.00 0.00 175.30 174.02 1q84 s VAL 425 N 2.93 1.52 -0.04 7.11 1.01 -1.26 -1.06 120.40 130.60 1q84 s VAL 425 Ca 0.37 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1q84 s VAL 425 Cb -0.15 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1q84 s VAL 425 CO 0.07 0.44 -0.19 -0.31 0.00 0.00 0.00 175.10 175.10 1q84 s TYR 426 N 0.16 1.87 0.11 5.22 1.51 -0.32 0.53 117.35 126.43 1q84 s TYR 426 Ca -0.08 -0.49 0.06 0.00 -1.01 0.00 0.00 57.07 55.55 1q84 s TYR 426 Cb -0.13 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 1q84 s TYR 426 CO 0.03 -0.13 -0.14 0.00 -1.11 0.00 0.00 175.55 174.20 1q84 s ALA 427 N -0.15 1.44 0.13 3.71 0.00 -1.26 -0.55 121.76 125.08 1q84 s ALA 427 Ca -0.00 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 1q84 s ALA 427 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1q84 s ALA 427 CO 0.02 0.13 0.18 1.52 0.00 0.00 0.00 175.76 177.60 1q84 s TYR 428 N -1.88 0.51 -0.08 0.00 -0.85 -0.57 -1.93 117.35 112.55 1q84 s TYR 428 Ca 0.06 -0.90 0.01 0.00 -0.52 0.00 0.00 57.07 55.72 1q84 s TYR 428 Cb -0.06 -0.21 0.02 0.00 0.38 0.00 0.00 41.96 42.09 1q84 s TYR 428 CO 0.03 -0.61 -0.09 -1.50 -1.52 0.00 0.00 175.55 171.87 1q84 s ILE 429 N -3.97 0.94 -0.27 -3.49 2.07 -0.22 -2.32 121.20 113.94 1q84 s ILE 429 Ca 0.16 -0.32 -0.15 0.00 -1.41 0.00 0.00 60.65 58.94 1q84 s ILE 429 Cb 0.05 -0.91 -0.04 0.00 0.13 0.00 0.00 42.46 41.69 1q84 s ILE 429 CO -0.02 0.33 0.37 0.12 -1.91 0.00 0.00 174.94 173.82 1q84 s PHE 430 N 1.09 3.25 0.00 3.50 2.19 0.54 -0.32 117.98 128.23 1q84 s PHE 430 Ca -0.07 0.40 0.00 0.00 0.33 0.00 0.00 56.93 57.59 1q84 s PHE 430 Cb -0.14 -2.56 0.00 0.00 -1.31 0.00 0.00 43.02 39.00 1q84 s PHE 430 CO -0.01 -0.22 0.90 0.39 1.83 0.00 0.00 175.22 178.11 1q84 n GLU 431 N 5.30 2.39 -3.36 10.12 1.02 0.06 -1.37 120.64 134.80 1q84 n GLU 431 Ca -0.09 -1.30 -0.39 0.00 -0.02 0.00 0.00 57.16 55.37 1q84 n GLU 431 Cb 0.51 -0.90 -0.08 0.00 -0.02 0.00 0.00 31.44 30.95 1q84 n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1q84 s HIS 432 N -0.80 3.35 -0.19 -0.32 2.46 -1.25 -4.95 115.29 113.59 1q84 s HIS 432 Ca 0.00 0.61 -0.22 0.00 0.47 0.00 0.00 55.06 55.93 1q84 s HIS 432 Cb 0.00 -2.56 -0.02 0.00 -0.13 0.00 0.00 32.58 29.86 1q84 s HIS 432 CO 0.00 -0.07 0.68 0.50 -2.47 0.00 0.00 174.74 173.38 1q84 s ARG 433 N 1.51 4.23 0.28 2.88 3.52 -1.26 -4.91 118.95 125.20 1q84 s ARG 433 Ca 0.19 0.71 -0.30 0.00 -0.13 0.00 0.00 55.73 56.20 1q84 s ARG 433 Cb -0.15 -3.58 -0.12 0.00 -1.56 0.00 0.00 34.95 29.54 1q84 s ARG 433 CO 0.08 -0.27 1.55 0.00 -0.81 0.00 0.00 175.30 175.85 1q84 n ALA 434 N 5.12 2.21 0.22 6.12 0.00 -1.26 -4.87 120.51 128.05 1q84 n ALA 434 Ca 0.00 0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.94 1q84 n ALA 434 Cb 0.49 -2.42 0.70 0.00 0.00 0.00 0.00 19.45 18.23 1q84 n ALA 434 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1q84 h SER 435 N 4.60 0.00 -0.03 0.00 4.64 -1.96 -2.52 113.55 118.30 1q84 h SER 435 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1q84 h SER 435 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1q84 h SER 435 CO 0.78 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.09 1q84 n THR 436 N -4.36 0.02 -1.73 2.95 -2.24 -1.26 -4.95 114.28 102.70 1q84 n THR 436 Ca -0.01 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 1q84 n THR 436 Cb 0.18 0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.63 1q84 n THR 436 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1q84 n LEU 437 N -0.12 4.13 -0.00 3.22 7.94 -0.95 -4.92 117.00 126.30 1q84 n LEU 437 Ca 0.20 1.19 0.07 0.00 -1.11 0.00 0.00 56.01 56.36 1q84 n LEU 437 Cb 0.29 -1.55 -0.09 0.00 0.53 0.00 0.00 43.42 42.60 1q84 n LEU 437 CO 0.16 -0.10 -0.14 0.35 -1.11 0.00 0.00 177.39 176.55 1q84 n THR 438 N 1.00 0.00 -1.87 1.96 -2.24 -1.26 -4.95 114.28 106.92 1q84 n THR 438 Ca 0.05 -0.19 -0.33 0.00 -2.27 0.00 0.00 64.05 61.31 1q84 n THR 438 Cb 0.37 0.86 0.03 0.00 -2.10 0.00 0.00 70.33 69.49 1q84 n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1q84 s TRP 439 N -2.44 2.75 0.73 4.78 0.52 -1.26 -4.96 118.94 119.06 1q84 s TRP 439 Ca 0.04 1.54 -0.11 0.00 0.02 0.00 0.00 56.10 57.58 1q84 s TRP 439 Cb 0.10 -3.12 0.03 0.00 -1.15 0.00 0.00 33.47 29.34 1q84 s TRP 439 CO 0.58 -1.49 1.07 -1.25 0.02 0.00 0.00 176.95 175.89 1q84 s PRO 440 N -4.07 2.60 0.42 4.98 0.04 -1.26 -4.93 135.00 132.78 1q84 s PRO 440 Ca 0.66 1.03 0.20 0.00 0.04 0.00 0.00 61.00 62.93 1q84 s PRO 440 Cb -0.19 -1.95 1.15 0.00 0.04 0.00 0.00 34.50 33.55 1q84 s PRO 440 CO 0.39 -1.36 1.81 -0.07 0.04 0.00 0.00 177.00 177.82 1q84 h LEU 441 N -0.91 0.38 -1.64 -3.56 3.38 -1.95 -2.35 115.31 108.66 1q84 h LEU 441 Ca -0.44 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1q84 h LEU 441 Cb 1.22 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1q84 h LEU 441 CO 0.55 0.11 -0.13 4.11 0.09 0.00 0.00 178.44 183.16 1q84 h TRP 442 N 0.35 0.00 0.00 1.13 5.08 -1.93 -1.46 115.95 119.12 1q84 h TRP 442 Ca 0.54 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.51 1q84 h TRP 442 Cb 1.44 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.60 1q84 h TRP 442 CO -0.00 0.13 0.00 -1.33 -1.28 0.00 0.00 178.44 175.96 1q84 n MET 443 N -3.43 0.15 0.00 0.12 2.81 -0.88 -4.97 117.12 110.92 1q84 n MET 443 Ca -0.01 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 1q84 n MET 443 Cb 0.30 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 1q84 n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1q84 n GLY 444 N 0.76 3.50 3.17 3.03 0.00 -0.55 -3.76 105.19 111.34 1q84 n GLY 444 Ca 0.04 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1q84 n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q84 s VAL 445 N 0.00 3.90 0.64 1.61 1.01 -1.26 -4.86 120.40 121.44 1q84 s VAL 445 Ca 0.00 -2.12 -0.11 0.00 0.00 0.00 0.00 61.98 59.75 1q84 s VAL 445 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1q84 s VAL 445 CO 0.00 -0.78 1.04 -2.84 0.00 0.00 0.00 175.10 172.52 1q84 s PRO 446 N 0.97 3.33 -0.27 2.72 0.02 -1.25 -1.51 135.00 139.01 1q84 s PRO 446 Ca 0.09 0.61 -0.39 0.00 0.02 0.00 0.00 61.00 61.34 1q84 s PRO 446 Cb -0.23 -2.08 -0.14 0.00 0.02 0.00 0.00 34.50 32.07 1q84 s PRO 446 CO -0.03 -0.72 1.85 1.58 -0.33 0.00 0.00 177.00 179.36 1q84 n HIS 447 N -2.81 2.00 0.00 6.54 -0.00 -1.25 -1.92 115.22 117.78 1q84 n HIS 447 Ca 0.06 0.42 0.00 0.00 -0.00 0.00 0.00 57.72 58.20 1q84 n HIS 447 Cb 0.55 -2.50 0.00 0.00 -0.00 0.00 0.00 29.99 28.04 1q84 n HIS 447 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1q84 n GLY 448 N 4.73 2.25 1.12 1.57 0.00 -1.26 -4.97 105.19 108.62 1q84 n GLY 448 Ca 0.29 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.38 1q84 n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1q84 n TYR 449 N -1.27 0.94 0.07 1.61 4.02 -0.81 -2.83 117.16 118.89 1q84 n TYR 449 Ca 0.00 -0.40 0.05 0.00 -0.01 0.00 0.00 57.90 57.54 1q84 n TYR 449 Cb 0.00 -0.13 -0.04 0.00 -0.02 0.00 0.00 39.34 39.15 1q84 n TYR 449 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 1q84 h GLU 450 N 2.92 0.00 -0.26 -0.72 9.09 -1.91 -3.42 114.58 120.28 1q84 h GLU 450 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.42 1q84 h GLU 450 Cb 0.97 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.05 1q84 h GLU 450 CO 0.11 0.18 0.14 0.82 0.05 0.00 0.00 179.01 180.32 1q84 h ILE 451 N 0.00 1.01 -0.28 -1.06 2.04 -1.91 -1.42 117.51 115.89 1q84 h ILE 451 Ca -0.09 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 65.75 1q84 h ILE 451 Cb 1.33 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1q84 h ILE 451 CO 0.03 0.05 0.25 1.05 0.00 0.00 0.00 178.15 179.53 1q84 h GLU 452 N 0.29 0.00 0.03 2.37 4.11 -1.79 -1.50 114.58 118.09 1q84 h GLU 452 Ca 0.10 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.42 1q84 h GLU 452 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1q84 h GLU 452 CO -0.06 0.00 -0.47 0.74 0.07 0.00 0.00 179.01 179.29 1q84 h PHE 453 N 0.00 0.42 -0.91 2.06 0.04 -1.55 -1.65 116.94 115.35 1q84 h PHE 453 Ca 0.13 -0.25 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 1q84 h PHE 453 Cb 0.63 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.69 1q84 h PHE 453 CO 0.00 1.10 0.56 0.82 -0.60 0.00 0.00 178.31 180.19 1q84 h ILE 454 N -0.38 1.25 0.00 -0.55 1.08 -1.11 -2.08 117.51 115.71 1q84 h ILE 454 Ca -0.07 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 1q84 h ILE 454 Cb 1.25 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 1q84 h ILE 454 CO 0.09 0.25 0.00 0.49 -0.69 0.00 0.00 178.15 178.30 1q84 n PHE 455 N -4.40 0.05 -0.73 1.37 3.01 -0.62 -4.45 117.46 111.69 1q84 n PHE 455 Ca 0.10 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.58 1q84 n PHE 455 Cb 0.05 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 38.99 1q84 n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1q84 n GLY 456 N 0.93 0.55 0.32 1.37 0.00 -0.78 -4.09 105.19 103.50 1q84 n GLY 456 Ca 0.06 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.42 1q84 n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1q84 h LEU 457 N 0.00 0.64 -1.46 0.99 4.07 -1.55 -1.99 115.31 116.02 1q84 h LEU 457 Ca 0.00 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1q84 h LEU 457 Cb 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.71 1q84 h LEU 457 CO 0.00 0.29 0.27 -0.65 -1.08 0.00 0.00 178.44 177.27 1q84 h PRO 458 N 0.72 0.00 0.00 1.13 0.11 -1.89 -0.03 132.00 132.03 1q84 h PRO 458 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1q84 h PRO 458 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1q84 h PRO 458 CO -0.34 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.38 1q84 h LEU 459 N 0.00 0.00 -8.86 2.35 4.07 -1.67 -3.42 115.31 107.78 1q84 h LEU 459 Ca 0.00 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.39 1q84 h LEU 459 Cb 0.54 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.22 1q84 h LEU 459 CO 0.00 0.00 0.85 -0.62 -1.08 0.00 0.00 178.44 177.59 1q84 s ASP 460 N -5.02 6.80 0.50 -0.43 -1.08 -0.03 -4.81 116.67 112.60 1q84 s ASP 460 Ca 0.04 0.79 0.29 0.00 -0.52 0.00 0.00 52.55 53.15 1q84 s ASP 460 Cb 0.09 -2.54 0.97 0.00 -1.46 0.00 0.00 42.92 39.98 1q84 s ASP 460 CO 0.49 -1.01 1.84 1.55 0.52 0.00 0.00 175.17 178.56 1q84 h PRO 461 N 8.53 0.00 0.00 4.34 0.14 -1.87 -2.54 132.00 140.60 1q84 h PRO 461 Ca -0.22 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.92 1q84 h PRO 461 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.20 1q84 h PRO 461 CO 1.06 0.03 0.00 0.66 0.14 0.00 0.00 178.00 179.89 1q84 h SER 462 N 0.00 0.00 0.29 1.44 4.64 -1.95 -3.10 113.55 114.87 1q84 h SER 462 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1q84 h SER 462 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1q84 h SER 462 CO 0.00 0.00 -0.26 0.18 -0.87 0.00 0.00 176.83 175.88 1q84 n LEU 463 N -2.39 0.89 -1.85 5.97 4.77 -0.96 -4.98 117.00 118.46 1q84 n LEU 463 Ca 0.01 -0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 55.65 1q84 n LEU 463 Cb 0.17 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1q84 n LEU 463 CO 0.18 0.17 -0.05 0.59 -1.33 0.00 0.00 177.39 176.94 1q84 n ASN 464 N -0.79 -4.36 -4.85 -1.43 3.02 -1.17 -5.01 115.26 100.67 1q84 n ASN 464 Ca 0.12 -0.13 -0.31 0.00 -0.03 0.00 0.00 54.58 54.23 1q84 n ASN 464 Cb 0.34 -3.33 0.02 0.00 -0.61 0.00 0.00 39.78 36.20 1q84 n ASN 464 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1q84 s TYR 465 N -2.85 3.43 0.87 3.10 2.02 -1.26 -4.84 117.35 117.81 1q84 s TYR 465 Ca 0.13 1.35 -0.12 0.00 -0.37 0.00 0.00 57.07 58.06 1q84 s TYR 465 Cb -0.06 -2.78 0.11 0.00 -0.40 0.00 0.00 41.96 38.83 1q84 s TYR 465 CO 0.16 -0.87 1.11 0.95 -1.57 0.00 0.00 175.55 175.34 1q84 s THR 466 N -3.09 2.50 0.19 -0.71 -4.23 -1.26 -4.91 115.64 104.12 1q84 s THR 466 Ca 0.56 0.16 -0.11 0.00 -1.18 0.00 0.00 61.69 61.13 1q84 s THR 466 Cb -0.12 -2.88 0.11 0.00 1.34 0.00 0.00 72.50 70.95 1q84 s THR 466 CO 0.53 -0.21 1.77 0.74 -0.54 0.00 0.00 174.62 176.91 1q84 h THR 467 N -1.35 1.23 -0.67 3.99 2.02 -1.97 -2.25 112.91 113.91 1q84 h THR 467 Ca -0.49 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.05 1q84 h THR 467 Cb 1.30 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 1q84 h THR 467 CO 0.60 0.27 0.41 -0.33 0.37 0.00 0.00 175.52 176.84 1q84 h GLU 468 N 0.93 0.77 -0.50 6.66 3.07 -1.99 -1.98 114.58 121.54 1q84 h GLU 468 Ca 0.23 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.01 1q84 h GLU 468 Cb 0.14 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1q84 h GLU 468 CO -0.03 0.51 0.20 0.93 -1.40 0.00 0.00 179.01 179.22 1q84 h GLU 469 N 0.80 0.71 -0.46 2.33 5.08 -1.87 0.05 114.58 121.22 1q84 h GLU 469 Ca 0.27 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1q84 h GLU 469 Cb 0.04 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1q84 h GLU 469 CO -0.12 0.59 0.11 -0.09 -1.00 0.00 0.00 179.01 178.51 1q84 h ARG 470 N 0.71 0.74 -0.17 2.33 2.43 -0.86 -1.08 114.38 118.48 1q84 h ARG 470 Ca 0.17 -0.18 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 1q84 h ARG 470 Cb 0.15 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1q84 h ARG 470 CO -0.02 0.73 -0.60 0.82 -1.51 0.00 0.00 179.97 179.39 1q84 h ILE 471 N 0.62 1.33 -0.26 1.20 2.04 -0.96 -1.75 117.51 119.73 1q84 h ILE 471 Ca 0.15 -1.87 -0.01 0.00 1.00 0.00 0.00 64.86 64.13 1q84 h ILE 471 Cb 0.32 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1q84 h ILE 471 CO 0.00 0.58 0.13 0.15 0.00 0.00 0.00 178.15 179.01 1q84 h PHE 472 N 0.42 0.36 -0.74 1.37 3.57 -0.95 -2.10 116.94 118.87 1q84 h PHE 472 Ca -0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1q84 h PHE 472 Cb 1.16 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1q84 h PHE 472 CO 0.05 0.34 0.31 0.00 -2.23 0.00 0.00 178.31 176.78 1q84 h ALA 473 N 0.99 1.15 -0.93 2.41 0.00 -1.07 -1.55 119.26 120.27 1q84 h ALA 473 Ca 0.09 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1q84 h ALA 473 Cb 0.11 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 1q84 h ALA 473 CO -0.01 0.62 0.60 1.96 0.00 0.00 0.00 179.25 182.41 1q84 h GLN 474 N 1.07 1.10 -0.36 0.00 4.20 -1.14 -0.64 115.11 119.33 1q84 h GLN 474 Ca 0.25 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 1q84 h GLN 474 Cb 0.18 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1q84 h GLN 474 CO -0.02 0.72 0.15 0.00 -0.67 0.00 0.00 178.83 179.01 1q84 h ARG 475 N 1.13 0.54 -0.45 1.46 3.08 -0.66 -2.38 114.38 117.10 1q84 h ARG 475 Ca 0.38 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.22 1q84 h ARG 475 Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1q84 h ARG 475 CO -0.14 0.52 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.05 1q84 h LEU 476 N 0.44 0.92 -1.49 3.04 3.38 -0.84 -1.28 115.31 119.49 1q84 h LEU 476 Ca 0.12 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.76 1q84 h LEU 476 Cb 0.18 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1q84 h LEU 476 CO -0.01 1.09 0.41 0.24 0.09 0.00 0.00 178.44 180.26 1q84 h MET 477 N 0.74 0.62 -0.18 1.13 2.86 -1.06 -0.08 114.93 118.95 1q84 h MET 477 Ca 0.11 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 1q84 h MET 477 Cb 0.72 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 1q84 h MET 477 CO 0.05 0.41 -0.21 0.87 1.06 0.00 0.00 176.91 179.09 1q84 h LYS 478 N 0.64 0.46 -0.18 1.72 1.79 -1.02 -1.98 116.57 118.00 1q84 h LYS 478 Ca 0.26 -0.25 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1q84 h LYS 478 Cb 0.22 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1q84 h LYS 478 CO -0.08 0.83 0.05 1.88 -1.08 0.00 0.00 179.45 181.05 1q84 h TYR 479 N 0.11 0.08 -0.44 -1.35 0.05 -0.38 0.12 116.97 115.16 1q84 h TYR 479 Ca 0.02 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 1q84 h TYR 479 Cb 0.76 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 1q84 h TYR 479 CO 0.08 0.03 0.08 -1.49 -1.05 0.00 0.00 178.16 175.82 1q84 h TRP 480 N 0.12 0.77 0.00 4.88 6.55 -1.06 -1.27 115.95 125.94 1q84 h TRP 480 Ca 0.08 -0.10 -0.16 0.00 0.95 0.00 0.00 58.89 59.66 1q84 h TRP 480 Cb 0.06 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 28.13 1q84 h TRP 480 CO -0.13 0.72 -0.74 1.79 -1.05 0.00 0.00 178.44 179.03 1q84 h THR 481 N 0.59 1.37 -0.58 1.49 1.35 -1.29 -0.98 112.91 114.85 1q84 h THR 481 Ca 0.14 -2.69 -0.04 0.00 -0.55 0.00 0.00 66.41 63.27 1q84 h THR 481 Cb 0.36 2.52 -0.03 0.00 -1.73 0.00 0.00 68.15 69.28 1q84 h THR 481 CO 0.01 0.73 0.22 0.78 -0.25 0.00 0.00 175.52 177.01 1q84 h ASN 482 N 0.00 0.80 -0.66 5.36 2.35 -0.66 -0.83 115.58 121.94 1q84 h ASN 482 Ca -0.01 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1q84 h ASN 482 Cb 1.46 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.59 1q84 h ASN 482 CO 0.10 0.76 0.38 0.15 -1.65 0.00 0.00 177.43 177.17 1q84 h PHE 483 N 0.80 0.90 -0.62 1.19 3.57 -1.03 -0.83 116.94 120.92 1q84 h PHE 483 Ca 0.19 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 1q84 h PHE 483 Cb 0.21 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1q84 h PHE 483 CO 0.01 0.63 0.13 0.00 -2.23 0.00 0.00 178.31 176.85 1q84 h ALA 484 N 1.19 1.06 -0.32 2.41 0.00 -0.86 0.24 119.26 122.99 1q84 h ALA 484 Ca 0.24 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1q84 h ALA 484 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1q84 h ALA 484 CO -0.04 0.61 -0.27 0.00 0.00 0.00 0.00 179.25 179.56 1q84 h ARG 485 N 0.93 0.74 0.00 0.00 3.08 -0.84 -3.41 114.38 114.88 1q84 h ARG 485 Ca 0.19 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1q84 h ARG 485 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1q84 h ARG 485 CO 0.00 0.99 -0.04 0.25 -1.07 0.00 0.00 179.97 180.11 1q84 n THR 486 N -4.25 0.00 -0.90 2.04 -2.24 -0.34 -5.01 114.28 103.57 1q84 n THR 486 Ca -0.03 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1q84 n THR 486 Cb 0.46 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1q84 n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q84 n GLY 487 N 0.61 0.66 2.71 3.38 0.00 0.85 -5.02 105.19 108.37 1q84 n GLY 487 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1q84 n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1q84 s ASP 488 N -2.27 1.39 0.14 1.61 -1.08 -1.26 -4.86 116.67 110.35 1q84 s ASP 488 Ca 0.00 -0.02 0.23 0.00 -0.52 0.00 0.00 52.55 52.23 1q84 s ASP 488 Cb 0.00 -0.28 0.90 0.00 -1.46 0.00 0.00 42.92 42.08 1q84 s ASP 488 CO 0.00 -0.23 1.70 -0.81 0.52 0.00 0.00 175.17 176.35 1q84 n PRO 489 N 5.23 0.13 -2.35 4.34 -0.04 -1.26 -2.95 135.00 138.10 1q84 n PRO 489 Ca -0.05 0.26 -0.41 0.00 -0.04 0.00 0.00 63.50 63.26 1q84 n PRO 489 Cb 0.50 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 1q84 n PRO 489 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1q84 s ASN 490 N -3.79 7.04 -0.05 3.54 0.01 -1.26 -4.39 114.94 116.05 1q84 s ASN 490 Ca 0.08 2.22 -0.30 0.00 -0.71 0.00 0.00 52.86 54.15 1q84 s ASN 490 Cb 0.12 -2.60 -0.07 0.00 0.41 0.00 0.00 41.25 39.11 1q84 s ASN 490 CO 0.43 -0.43 1.87 -0.62 -1.51 0.00 0.00 177.10 176.84 1q84 s ASP 491 N 0.39 6.38 0.00 -1.22 -1.08 -1.26 -4.87 116.67 115.01 1q84 s ASP 491 Ca 0.55 2.33 0.17 0.00 -0.52 0.00 0.00 52.55 55.09 1q84 s ASP 491 Cb -0.33 -2.53 0.94 0.00 -1.46 0.00 0.00 42.92 39.55 1q84 s ASP 491 CO 0.35 -1.15 1.47 -0.81 0.52 0.00 0.00 175.17 175.55 1q84 n PRO 492 N 7.59 0.39 -0.12 4.34 -0.04 -1.26 -3.33 135.00 142.57 1q84 n PRO 492 Ca 0.20 0.07 -0.26 0.00 -0.04 0.00 0.00 63.50 63.47 1q84 n PRO 492 Cb 0.42 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 1q84 n PRO 492 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1q84 n ARG 493 N -1.15 0.58 -1.53 0.54 3.00 -1.26 -4.86 116.66 111.99 1q84 n ARG 493 Ca 0.10 0.42 -0.41 0.00 -0.01 0.00 0.00 57.85 57.95 1q84 n ARG 493 Cb 0.10 -1.62 -0.06 0.00 0.00 0.00 0.00 32.46 30.88 1q84 n ARG 493 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1q84 n ASP 494 N -4.33 2.14 -0.80 0.55 2.03 -1.21 -4.81 116.55 110.12 1q84 n ASP 494 Ca -0.43 -0.09 0.08 0.00 0.52 0.00 0.00 54.79 54.87 1q84 n ASP 494 Cb 0.79 -1.41 0.23 0.00 -0.72 0.00 0.00 41.12 40.01 1q84 n ASP 494 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1q84 n SER 495 N 13.09 2.33 -4.95 1.67 3.41 -1.26 -4.86 113.62 123.06 1q84 n SER 495 Ca 0.41 -1.94 -0.24 0.00 -0.26 0.00 0.00 58.87 56.84 1q84 n SER 495 Cb 0.38 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 1q84 n SER 495 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1q84 s LYS 496 N -1.48 3.48 0.00 4.33 2.36 -1.26 -5.13 119.74 122.04 1q84 s LYS 496 Ca 0.31 -0.39 0.00 0.00 -2.55 0.00 0.00 55.97 53.34 1q84 s LYS 496 Cb 0.16 -2.70 0.00 0.00 -1.05 0.00 0.00 37.83 34.24 1q84 s LYS 496 CO 0.22 0.20 0.00 -1.13 1.55 0.00 0.00 175.35 176.19 1q84 n SER 497 N -1.69 0.00 -4.73 1.43 3.41 -1.26 -4.72 113.62 106.06 1q84 n SER 497 Ca -0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.14 1q84 n SER 497 Cb 0.56 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 1q84 n SER 497 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1q84 s PRO 498 N 0.00 4.39 0.39 4.33 0.02 -1.26 -4.99 135.00 137.88 1q84 s PRO 498 Ca 0.00 2.02 -0.21 0.00 0.02 0.00 0.00 61.00 62.83 1q84 s PRO 498 Cb 0.00 -3.22 -0.10 0.00 0.02 0.00 0.00 34.50 31.20 1q84 s PRO 498 CO 0.00 -0.27 0.92 -0.65 -0.33 0.00 0.00 177.00 176.66 1q84 s GLN 499 N 0.18 4.27 -0.51 5.54 -1.52 -1.26 -4.88 119.66 121.49 1q84 s GLN 499 Ca 0.58 1.10 -0.29 0.00 -1.95 0.00 0.00 55.36 54.80 1q84 s GLN 499 Cb -0.36 -2.35 0.03 0.00 -0.22 0.00 0.00 33.01 30.11 1q84 s GLN 499 CO 0.36 0.07 1.23 -0.46 -0.25 0.00 0.00 175.29 176.23 1q84 s TRP 500 N -2.03 2.63 0.45 0.91 -0.11 -1.26 -4.96 118.94 114.57 1q84 s TRP 500 Ca 0.58 0.59 -0.15 0.00 1.22 0.00 0.00 56.10 58.34 1q84 s TRP 500 Cb -0.11 -4.44 -0.08 0.00 -1.50 0.00 0.00 33.47 27.33 1q84 s TRP 500 CO 0.16 -1.55 0.89 -1.25 -4.62 0.00 0.00 176.95 170.58 1q84 s PRO 501 N 4.79 3.95 0.50 5.86 0.04 -1.26 -4.88 135.00 144.00 1q84 s PRO 501 Ca 0.49 0.81 -0.23 0.00 0.04 0.00 0.00 61.00 62.11 1q84 s PRO 501 Cb -0.08 -2.25 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 1q84 s PRO 501 CO 0.29 -0.12 1.36 -2.14 0.04 0.00 0.00 177.00 176.44 1q84 s PRO 502 N -3.74 3.42 0.15 0.56 0.02 -1.26 -4.69 135.00 129.45 1q84 s PRO 502 Ca 0.57 2.25 -0.30 0.00 0.02 0.00 0.00 61.00 63.53 1q84 s PRO 502 Cb -0.10 -2.43 -0.07 0.00 0.02 0.00 0.00 34.50 31.92 1q84 s PRO 502 CO 0.27 -0.97 1.17 -0.47 -0.33 0.00 0.00 177.00 176.67 1q84 s TYR 503 N -1.29 3.48 0.12 6.54 6.14 0.19 -4.54 117.35 127.98 1q84 s TYR 503 Ca 0.66 1.44 0.02 0.00 0.64 0.00 0.00 57.07 59.83 1q84 s TYR 503 Cb -0.40 -3.38 -0.04 0.00 0.42 0.00 0.00 41.96 38.55 1q84 s TYR 503 CO 0.49 -1.06 -0.07 0.95 0.64 0.00 0.00 175.55 176.51 1q84 s THR 504 N 0.22 0.79 0.24 4.34 -4.23 -1.26 -4.39 115.64 111.35 1q84 s THR 504 Ca 0.54 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 1q84 s THR 504 Cb -0.31 -1.77 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 1q84 s THR 504 CO 0.34 -0.80 1.58 0.71 -0.54 0.00 0.00 174.62 175.90 1q84 h THR 505 N 2.90 1.35 0.00 3.99 1.35 -1.90 0.14 112.91 120.74 1q84 h THR 505 Ca -0.36 -1.83 0.00 0.00 -0.55 0.00 0.00 66.41 63.67 1q84 h THR 505 Cb 1.17 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 1q84 h THR 505 CO 0.64 0.55 0.00 0.00 -0.25 0.00 0.00 175.52 176.46 1q84 n ALA 506 N -2.48 -0.29 0.12 6.62 0.00 -1.26 -4.31 120.51 118.91 1q84 n ALA 506 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 1q84 n ALA 506 Cb 0.58 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.15 1q84 n ALA 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q84 h ALA 507 N -2.00 0.87 -5.46 0.00 0.00 -1.98 -3.48 119.26 107.21 1q84 h ALA 507 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 54.91 53.87 1q84 h ALA 507 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1q84 h ALA 507 CO 0.00 0.86 -0.64 1.04 0.00 0.00 0.00 179.25 180.50 1q84 n GLN 508 N -3.72 -4.84 -2.63 0.00 6.02 0.51 -4.42 117.38 108.29 1q84 n GLN 508 Ca -0.01 0.66 -0.40 0.00 -0.01 0.00 0.00 57.00 57.24 1q84 n GLN 508 Cb 0.67 -5.50 -0.05 0.00 1.02 0.00 0.00 30.24 26.38 1q84 n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1q84 s GLN 509 N -6.14 4.74 0.23 -1.09 -0.21 -1.26 -1.17 119.66 114.77 1q84 s GLN 509 Ca 0.47 1.61 -0.06 0.00 0.02 0.00 0.00 55.36 57.40 1q84 s GLN 509 Cb -0.23 -3.26 -0.02 0.00 1.00 0.00 0.00 33.01 30.49 1q84 s GLN 509 CO 0.58 0.33 0.31 1.52 -2.12 0.00 0.00 175.29 175.91 1q84 s TYR 510 N -0.91 0.81 0.14 0.91 1.13 -0.63 -3.73 117.35 115.08 1q84 s TYR 510 Ca 0.44 -1.09 0.08 0.00 -1.41 0.00 0.00 57.07 55.09 1q84 s TYR 510 Cb -0.28 -0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 40.34 1q84 s TYR 510 CO 0.35 -0.83 -0.17 0.14 -2.51 0.00 0.00 175.55 172.52 1q84 s VAL 511 N -4.01 1.67 -0.16 -3.49 -7.23 -0.81 -1.00 120.40 105.37 1q84 s VAL 511 Ca 0.31 -1.81 -0.18 0.00 -1.81 0.00 0.00 61.98 58.49 1q84 s VAL 511 Cb 0.03 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 1q84 s VAL 511 CO 0.12 -0.31 0.49 -0.94 -0.31 0.00 0.00 175.10 174.15 1q84 s SER 512 N -2.50 6.62 -0.42 4.85 1.04 -0.77 -1.06 113.70 121.46 1q84 s SER 512 Ca 0.13 0.74 -0.14 0.00 0.48 0.00 0.00 55.95 57.16 1q84 s SER 512 Cb -0.06 -2.29 0.04 0.00 0.10 0.00 0.00 66.02 63.81 1q84 s SER 512 CO 0.05 -0.08 0.30 -0.76 0.98 0.00 0.00 173.24 173.73 1q84 s LEU 513 N 1.10 5.17 0.00 2.42 1.43 0.57 -4.10 118.68 125.27 1q84 s LEU 513 Ca 0.25 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 1q84 s LEU 513 Cb -0.15 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.95 1q84 s LEU 513 CO 0.10 -0.50 0.00 -0.46 0.23 0.00 0.00 176.35 175.72 1q84 n ASN 514 N 5.11 0.00 0.23 2.29 0.23 -1.26 -0.76 115.26 121.10 1q84 n ASN 514 Ca -0.11 -0.89 0.09 0.00 -0.53 0.00 0.00 54.58 53.14 1q84 n ASN 514 Cb 0.45 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.70 1q84 n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1q84 h LEU 515 N 0.00 0.00-10.31 -4.53 3.38 -1.95 -3.43 115.31 98.47 1q84 h LEU 515 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1q84 h LEU 515 Cb 0.00 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.84 1q84 h LEU 515 CO 0.00 0.23 0.37 -0.54 0.09 0.00 0.00 178.44 178.59 1q84 s LYS 516 N -4.04 3.03 0.77 1.13 1.02 -1.26 -5.01 119.74 115.38 1q84 s LYS 516 Ca -0.02 1.00 -0.15 0.00 0.02 0.00 0.00 55.97 56.83 1q84 s LYS 516 Cb 0.13 -2.00 0.02 0.00 -0.52 0.00 0.00 37.83 35.45 1q84 s LYS 516 CO 0.64 -1.03 0.85 -2.30 -0.92 0.00 0.00 175.35 172.60 1q84 n PRO 517 N -2.88 0.29 -1.54 -1.68 -0.02 -1.26 -4.86 135.00 123.04 1q84 n PRO 517 Ca 0.08 0.15 -0.53 0.00 -2.02 0.00 0.00 63.50 61.19 1q84 n PRO 517 Cb 0.53 -2.14 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 1q84 n PRO 517 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1q84 n LEU 518 N -1.68 0.80 -4.29 2.45 4.77 -1.26 -4.94 117.00 112.85 1q84 n LEU 518 Ca 0.12 1.14 -0.31 0.00 -0.03 0.00 0.00 56.01 56.93 1q84 n LEU 518 Cb 0.50 -1.09 -0.16 0.00 -2.33 0.00 0.00 43.42 40.34 1q84 n LEU 518 CO 0.49 -1.60 -0.57 -0.70 -1.33 0.00 0.00 177.39 173.69 1q84 s GLU 519 N -0.11 2.30 -0.20 3.23 2.12 -1.26 -4.77 118.70 120.01 1q84 s GLU 519 Ca 0.80 -0.91 -0.15 0.00 0.36 0.00 0.00 54.97 55.08 1q84 s GLU 519 Cb -1.01 -2.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 1q84 s GLU 519 CO 0.53 0.47 0.34 0.08 -0.54 0.00 0.00 175.26 176.14 1q84 s VAL 520 N -0.39 5.25 0.38 3.70 1.01 -1.26 -1.85 120.40 127.24 1q84 s VAL 520 Ca 0.03 0.59 0.08 0.00 0.00 0.00 0.00 61.98 62.69 1q84 s VAL 520 Cb -0.12 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1q84 s VAL 520 CO 0.01 0.29 -0.04 -0.13 0.00 0.00 0.00 175.10 175.24 1q84 s ARG 521 N 1.09 1.89 -0.02 2.72 0.52 -0.17 -4.98 118.95 119.99 1q84 s ARG 521 Ca 0.17 -2.02 0.04 0.00 -0.52 0.00 0.00 55.73 53.40 1q84 s ARG 521 Cb -0.14 -1.66 -0.01 0.00 0.52 0.00 0.00 34.95 33.66 1q84 s ARG 521 CO 0.07 0.04 -0.16 1.03 0.02 0.00 0.00 175.30 176.30 1q84 s ARG 522 N -3.66 1.44 0.00 3.54 0.52 -1.26 -1.60 118.95 117.92 1q84 s ARG 522 Ca 0.34 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 1q84 s ARG 522 Cb 0.06 -1.33 0.00 0.00 0.52 0.00 0.00 34.95 34.21 1q84 s ARG 522 CO 0.17 0.29 0.00 0.41 0.02 0.00 0.00 175.30 176.19 1q84 n GLY 523 N 2.91 -2.70 3.48 -3.53 0.00 -0.31 -4.91 105.19 100.12 1q84 n GLY 523 Ca -0.16 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 1q84 n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q84 s LEU 524 N 0.00 4.36 -1.44 0.99 2.96 -1.26 -4.24 118.68 120.04 1q84 s LEU 524 Ca 0.00 -1.48 -0.01 0.00 -0.22 0.00 0.00 54.13 52.43 1q84 s LEU 524 Cb 0.00 -2.46 0.01 0.00 0.50 0.00 0.00 46.19 44.24 1q84 s LEU 524 CO 0.00 -1.34 0.35 0.54 -1.32 0.00 0.00 176.35 174.58 1q84 n ARG 525 N 7.64 -2.83 -0.06 1.98 5.12 -1.26 -4.78 116.66 122.46 1q84 n ARG 525 Ca 0.16 0.34 -0.11 0.00 -1.93 0.00 0.00 57.85 56.32 1q84 n ARG 525 Cb 0.48 -4.37 -0.04 0.00 -1.16 0.00 0.00 32.46 27.38 1q84 n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1q84 h ALA 526 N 0.83 0.29 -0.22 7.54 0.00 -1.94 0.73 119.26 126.48 1q84 h ALA 526 Ca -0.64 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 1q84 h ALA 526 Cb 1.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1q84 h ALA 526 CO 0.65 -0.12 0.08 1.96 0.00 0.00 0.00 179.25 181.81 1q84 h GLN 527 N 0.20 0.34 -0.20 0.00 1.08 -1.95 -1.87 115.11 112.70 1q84 h GLN 527 Ca 0.07 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 57.10 1q84 h GLN 527 Cb 0.18 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1q84 h GLN 527 CO -0.01 0.41 -0.35 1.15 -0.95 0.00 0.00 178.83 179.09 1q84 h THR 528 N 0.20 1.29 0.00 -0.54 2.02 -1.91 -2.55 112.91 111.42 1q84 h THR 528 Ca 0.07 -1.44 -0.07 0.00 0.77 0.00 0.00 66.41 65.74 1q84 h THR 528 Cb 0.21 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1q84 h THR 528 CO -0.00 0.45 -0.34 0.00 0.37 0.00 0.00 175.52 175.99 1q84 h ALA 530 N 1.66 1.15 0.28 0.00 0.00 -0.95 0.39 119.26 121.80 1q84 h ALA 530 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1q84 h ALA 530 Cb 1.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1q84 h ALA 530 CO 0.04 0.57 -0.25 0.35 0.00 0.00 0.00 179.25 179.96 1q84 h PHE 531 N 0.84 -0.67 -0.14 0.00 3.57 -1.02 -1.21 116.94 118.31 1q84 h PHE 531 Ca 0.18 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.50 1q84 h PHE 531 Cb 0.33 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 1q84 h PHE 531 CO 0.02 -0.37 -0.67 -1.49 -2.23 0.00 0.00 178.31 173.57 1q84 h TRP 532 N -0.55 0.73 0.00 0.41 4.06 -1.35 -1.08 115.95 118.16 1q84 h TRP 532 Ca -0.01 -0.30 -0.12 0.00 2.06 0.00 0.00 58.89 60.53 1q84 h TRP 532 Cb 0.50 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.52 1q84 h TRP 532 CO -0.16 1.06 -1.56 0.09 -3.56 0.00 0.00 178.44 174.32 1q84 n ASN 533 N -3.91 0.57 -0.01 -3.49 3.02 0.12 -4.25 115.26 107.32 1q84 n ASN 533 Ca -0.04 0.24 -0.01 0.00 -0.03 0.00 0.00 54.58 54.73 1q84 n ASN 533 Cb 0.68 0.72 -0.01 0.00 -0.61 0.00 0.00 39.78 40.56 1q84 n ASN 533 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1q84 n ARG 534 N -2.69 0.04 -0.07 3.52 1.74 -0.50 -4.78 116.66 113.93 1q84 n ARG 534 Ca -0.09 0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 56.92 1q84 n ARG 534 Cb 0.75 -0.97 -0.06 0.00 -1.02 0.00 0.00 32.46 31.17 1q84 n ARG 534 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1q84 h PHE 535 N -0.01 0.00 -0.71 -1.55 3.57 -1.18 -3.36 116.94 113.71 1q84 h PHE 535 Ca -0.04 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.54 1q84 h PHE 535 Cb 1.06 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 1q84 h PHE 535 CO 0.00 0.51 0.38 -0.07 -2.23 0.00 0.00 178.31 176.89 1q84 h LEU 536 N -1.00 0.53 -0.70 0.59 3.38 -1.38 -1.46 115.31 115.27 1q84 h LEU 536 Ca -0.05 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1q84 h LEU 536 Cb 0.57 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.16 1q84 h LEU 536 CO -0.03 0.32 0.10 -0.65 0.09 0.00 0.00 178.44 178.26 1q84 h PRO 537 N 0.66 0.19 0.00 1.13 0.11 -1.77 0.11 132.00 132.44 1q84 h PRO 537 Ca 0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1q84 h PRO 537 Cb 0.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1q84 h PRO 537 CO -0.23 0.13 0.03 0.87 -0.21 0.00 0.00 178.00 178.58 1q84 h LYS 538 N 0.20 0.00 -2.31 1.05 1.57 -1.41 -3.01 116.57 112.66 1q84 h LYS 538 Ca 0.38 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.58 1q84 h LYS 538 Cb 0.65 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.83 1q84 h LYS 538 CO -0.53 0.00 1.38 -0.11 -0.57 0.00 0.00 179.45 179.61 1q84 n LEU 539 N -2.71 7.18 -0.18 2.94 7.94 0.39 -5.13 117.00 127.43 1q84 n LEU 539 Ca -0.02 -4.37 0.15 0.00 -1.11 0.00 0.00 56.01 50.66 1q84 n LEU 539 Cb 0.08 -1.32 0.79 0.00 0.53 0.00 0.00 43.42 43.50 1q84 n LEU 539 CO 0.15 1.89 1.02 0.00 -1.11 0.00 0.00 177.39 179.34