#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i s LYS 2 N 0.00 1.84 0.29 2.12 2.47 -1.26 -5.10 119.74 120.10 3i8i s LYS 2 Ca 0.00 -1.16 -0.29 0.00 -1.56 0.00 0.00 55.97 52.96 3i8i s LYS 2 Cb 0.00 -2.15 -0.10 0.00 -1.46 0.00 0.00 37.83 34.13 3i8i s LYS 2 CO 0.00 0.48 1.28 0.99 0.16 0.00 0.00 175.35 178.26 3i8i s THR 3 N -1.17 2.97 0.23 3.43 2.01 -1.26 -4.95 115.64 116.90 3i8i s THR 3 Ca 0.19 0.92 -0.30 0.00 0.31 0.00 0.00 61.69 62.80 3i8i s THR 3 Cb -0.11 -3.59 -0.10 0.00 0.01 0.00 0.00 72.50 68.72 3i8i s THR 3 CO 0.11 0.20 1.42 -0.47 -0.69 0.00 0.00 174.62 175.18 3i8i s TYR 4 N -0.80 3.09 -0.19 4.92 5.04 -1.26 -5.04 117.35 123.11 3i8i s TYR 4 Ca 0.50 1.04 0.01 0.00 -2.44 0.00 0.00 57.07 56.18 3i8i s TYR 4 Cb -0.38 -3.77 0.02 0.00 0.35 0.00 0.00 41.96 38.18 3i8i s TYR 4 CO 0.47 -2.52 -0.18 0.54 -1.34 0.00 0.00 175.55 172.51 3i8i s VAL 5 N 0.15 2.20 1.14 3.14 0.11 -1.26 -5.07 120.40 120.81 3i8i s VAL 5 Ca 0.60 -0.91 -0.17 0.00 -2.93 0.00 0.00 61.98 58.57 3i8i s VAL 5 Cb -0.40 -1.94 0.21 0.00 -1.53 0.00 0.00 36.38 32.72 3i8i s VAL 5 CO 0.41 0.52 0.41 -2.65 -3.33 0.00 0.00 175.10 170.45 3i8i n PRO 6 N 4.64 -2.72 0.00 1.54 -0.02 -1.26 -5.07 135.00 132.10 3i8i n PRO 6 Ca -0.21 -0.80 0.00 0.00 -2.02 0.00 0.00 63.50 60.47 3i8i n PRO 6 Cb 0.50 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3i8i n PRO 6 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3i8i n LYS 7 N -2.83 3.84 -0.23 -0.52 0.00 -1.26 -5.03 118.16 112.14 3i8i n LYS 7 Ca 0.06 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.40 3i8i n LYS 7 Cb 0.46 0.00 0.15 0.00 -0.00 0.00 0.00 35.03 35.64 3i8i n LYS 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 3i8i h GLN 8 N 0.00 0.33 -3.39 -1.58 1.08 -2.06 -3.48 115.11 106.01 3i8i h GLN 8 Ca 0.00 -0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.26 3i8i h GLN 8 Cb 0.00 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 3i8i h GLN 8 CO 0.00 0.22 -0.96 1.33 -0.95 0.00 0.00 178.83 178.46 3i8i n VAL 9 N -5.08 -2.25 -2.89 -0.54 0.24 -1.26 -4.82 118.33 101.74 3i8i n VAL 9 Ca 0.12 1.23 -0.42 0.00 -2.04 0.00 0.00 64.34 63.23 3i8i n VAL 9 Cb 0.38 -2.02 -0.04 0.00 -1.47 0.00 0.00 33.84 30.69 3i8i n VAL 9 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3i8i s GLU 10 N -5.05 3.90 -0.18 7.34 8.01 -1.26 -5.00 118.70 126.46 3i8i s GLU 10 Ca 0.00 0.57 -0.29 0.00 0.01 0.00 0.00 54.97 55.26 3i8i s GLU 10 Cb 0.00 -3.76 -0.05 0.00 -4.31 0.00 0.00 34.13 26.01 3i8i s GLU 10 CO 0.00 -0.80 1.94 -2.14 0.01 0.00 0.00 175.26 174.27 3i8i s PRO 11 N 3.17 3.56 0.34 0.39 0.02 -1.26 -4.96 135.00 136.26 3i8i s PRO 11 Ca 0.35 1.96 -0.18 0.00 0.02 0.00 0.00 61.00 63.15 3i8i s PRO 11 Cb -0.13 -4.21 -0.10 0.00 0.02 0.00 0.00 34.50 30.08 3i8i s PRO 11 CO 0.15 -1.60 0.81 0.50 -0.33 0.00 0.00 177.00 176.52 3i8i s ARG 12 N 5.38 4.12 -0.47 5.54 3.52 -1.26 -4.93 118.95 130.85 3i8i s ARG 12 Ca 0.87 0.85 0.03 0.00 -0.13 0.00 0.00 55.73 57.35 3i8i s ARG 12 Cb -0.31 -2.42 0.13 0.00 -1.56 0.00 0.00 34.95 30.79 3i8i s ARG 12 CO 0.35 0.13 0.22 -1.58 -0.81 0.00 0.00 175.30 173.60 3i8i s TRP 13 N -1.98 2.96 0.37 5.12 0.52 -1.26 -1.23 118.94 123.43 3i8i s TRP 13 Ca 0.55 -2.94 -0.13 0.00 0.02 0.00 0.00 56.10 53.61 3i8i s TRP 13 Cb -0.11 -2.60 -0.08 0.00 -1.15 0.00 0.00 33.47 29.54 3i8i s TRP 13 CO 0.17 -0.79 0.76 0.08 0.02 0.00 0.00 176.95 177.19 3i8i s VAL 14 N 0.09 4.73 0.06 4.03 1.01 -1.07 -2.53 120.40 126.72 3i8i s VAL 14 Ca 0.16 0.79 0.09 0.00 0.00 0.00 0.00 61.98 63.02 3i8i s VAL 14 Cb -0.24 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3i8i s VAL 14 CO -0.02 -0.37 -0.26 -0.22 0.00 0.00 0.00 175.10 174.23 3i8i s LEU 15 N -3.46 2.19 0.05 3.92 1.98 -1.24 -2.42 118.68 119.70 3i8i s LEU 15 Ca 0.53 -0.61 0.04 0.00 -2.89 0.00 0.00 54.13 51.20 3i8i s LEU 15 Cb -0.10 -1.25 -0.02 0.00 0.66 0.00 0.00 46.19 45.48 3i8i s LEU 15 CO 0.25 0.24 -0.13 -0.63 -1.89 0.00 0.00 176.35 174.19 3i8i s ILE 16 N -0.85 1.01 -0.09 6.68 1.01 0.97 -2.68 121.20 127.25 3i8i s ILE 16 Ca 0.12 -1.04 -0.25 0.00 0.00 0.00 0.00 60.65 59.47 3i8i s ILE 16 Cb -0.10 -0.94 -0.28 0.00 0.01 0.00 0.00 42.46 41.15 3i8i s ILE 16 CO 0.03 -0.09 0.85 -0.78 0.00 0.00 0.00 174.94 174.94 3i8i h ASP 17 N 4.78 0.23 0.00 3.58 1.82 -1.84 -2.78 116.42 122.20 3i8i h ASP 17 Ca -0.38 -0.96 0.00 0.00 -0.39 0.00 0.00 57.03 55.30 3i8i h ASP 17 Cb 1.19 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.12 3i8i h ASP 17 CO 0.43 1.17 0.00 0.00 -1.61 0.00 0.00 179.24 179.23 3i8i n ALA 18 N -2.63 0.00 -1.83 -0.78 0.00 -1.26 -3.85 120.51 110.16 3i8i n ALA 18 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 3i8i n ALA 18 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 3i8i n ALA 18 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i8i s GLU 19 N 0.00 4.17 0.00 0.00 2.12 -1.26 -1.83 118.70 121.90 3i8i s GLU 19 Ca 0.00 2.47 0.00 0.00 0.36 0.00 0.00 54.97 57.80 3i8i s GLU 19 Cb 0.00 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 31.07 3i8i s GLU 19 CO 0.00 -0.72 0.00 0.41 -0.54 0.00 0.00 175.26 174.41 3i8i n GLY 20 N 3.97 2.53 3.77 -1.50 0.00 0.21 -4.98 105.19 109.19 3i8i n GLY 20 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3i8i n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i s LYS 21 N 0.00 4.37 0.00 1.61 -0.14 -0.76 -4.40 119.74 120.41 3i8i s LYS 21 Ca 0.00 2.03 0.00 0.00 -1.36 0.00 0.00 55.97 56.64 3i8i s LYS 21 Cb 0.00 -3.02 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 3i8i s LYS 21 CO 0.00 -0.11 0.00 2.41 -0.76 0.00 0.00 175.35 176.89 3i8i n THR 22 N 0.76 0.00 0.00 2.17 -1.04 -1.26 -1.80 114.28 113.10 3i8i n THR 22 Ca 0.01 0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3i8i n THR 22 Cb 0.44 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 3i8i n THR 22 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3i8i n LEU 23 N 0.00 0.00 -0.03 -4.42 7.94 -1.25 -2.73 117.00 116.50 3i8i n LEU 23 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 3i8i n LEU 23 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 3i8i n LEU 23 CO 0.00 0.00 0.73 1.23 -1.11 0.00 0.00 177.39 178.24 3i8i h GLY 24 N 0.00 -0.08 -0.31 -3.96 0.00 -1.95 1.35 103.07 98.11 3i8i h GLY 24 Ca 0.00 0.23 0.28 0.00 0.00 0.00 0.00 47.33 47.84 3i8i h GLY 24 CO 0.00 -0.18 0.60 3.21 0.00 0.00 0.00 176.54 180.17 3i8i h ARG 25 N -0.20 0.45 0.12 4.80 2.47 -1.98 0.50 114.38 120.53 3i8i h ARG 25 Ca 0.12 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 3i8i h ARG 25 Cb 0.39 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 3i8i h ARG 25 CO -0.32 0.30 -0.06 1.25 0.56 0.00 0.00 179.97 181.69 3i8i h LEU 26 N 0.46 -0.14 -0.95 3.04 5.85 -0.41 -3.26 115.31 119.91 3i8i h LEU 26 Ca 0.68 -0.41 0.20 0.00 0.84 0.00 0.00 57.88 59.19 3i8i h LEU 26 Cb 1.45 0.04 -0.18 0.00 0.37 0.00 0.00 40.66 42.33 3i8i h LEU 26 CO -0.51 0.47 -0.20 0.00 -0.34 0.00 0.00 178.44 177.87 3i8i h ALA 27 N -0.31 0.69 -0.16 1.25 0.00 0.41 -0.15 119.26 121.00 3i8i h ALA 27 Ca -0.02 0.36 0.02 0.00 0.00 0.00 0.00 54.91 55.27 3i8i h ALA 27 Cb 0.54 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3i8i h ALA 27 CO 0.03 -0.41 -0.13 1.15 0.00 0.00 0.00 179.25 179.89 3i8i h THR 28 N 0.00 0.00 -0.58 0.00 2.02 -0.20 0.70 112.91 114.85 3i8i h THR 28 Ca 0.47 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.77 3i8i h THR 28 Cb 0.76 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.06 3i8i h THR 28 CO -0.96 0.00 -0.06 0.11 0.37 0.00 0.00 175.52 174.98 3i8i h LYS 29 N -0.04 0.06 -0.05 6.66 1.79 -1.13 -0.71 116.57 123.15 3i8i h LYS 29 Ca 0.03 -0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.51 3i8i h LYS 29 Cb 0.11 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 3i8i h LYS 29 CO -0.18 0.04 -0.06 0.82 -1.08 0.00 0.00 179.45 178.99 3i8i h ILE 30 N 0.06 0.81 -0.44 1.86 2.04 0.25 -1.76 117.51 120.33 3i8i h ILE 30 Ca 0.29 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.23 3i8i h ILE 30 Cb 0.47 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 3i8i h ILE 30 CO -0.54 0.00 0.06 0.00 0.00 0.00 0.00 178.15 177.66 3i8i h ALA 31 N 0.95 0.46 -0.69 1.87 0.00 0.15 0.14 119.26 122.14 3i8i h ALA 31 Ca 0.05 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3i8i h ALA 31 Cb 0.15 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3i8i h ALA 31 CO -0.11 -0.35 0.42 1.15 0.00 0.00 0.00 179.25 180.36 3i8i h THR 32 N 0.18 1.04 -0.31 0.00 2.02 -0.88 -2.38 112.91 112.58 3i8i h THR 32 Ca 0.22 -0.27 -0.16 0.00 0.77 0.00 0.00 66.41 66.96 3i8i h THR 32 Cb 0.30 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 3i8i h THR 32 CO -0.32 0.15 -0.45 -0.07 0.37 0.00 0.00 175.52 175.20 3i8i h LEU 33 N 0.79 0.88 -0.84 2.58 4.07 -0.41 -3.05 115.31 119.34 3i8i h LEU 33 Ca 0.29 -0.43 0.18 0.00 0.08 0.00 0.00 57.88 58.00 3i8i h LEU 33 Cb 0.09 -0.25 -0.11 0.00 1.08 0.00 0.00 40.66 41.47 3i8i h LEU 33 CO -0.14 1.20 0.36 -0.07 -1.08 0.00 0.00 178.44 178.71 3i8i h LEU 34 N 0.65 0.33 -9.51 1.67 -0.00 -0.23 -2.20 115.31 106.02 3i8i h LEU 34 Ca 0.04 0.13 -0.64 0.00 -0.00 0.00 0.00 57.88 57.41 3i8i h LEU 34 Cb 1.03 0.10 -0.08 0.00 -0.00 0.00 0.00 40.66 41.70 3i8i h LEU 34 CO 0.10 0.07 -0.44 0.00 -0.00 0.00 0.00 178.44 178.17 3i8i s ARG 35 N -5.95 3.76 -0.22 1.13 1.70 -1.08 -3.22 118.95 115.07 3i8i s ARG 35 Ca -0.12 -0.09 -0.30 0.00 -0.47 0.00 0.00 55.73 54.76 3i8i s ARG 35 Cb 0.23 -3.28 -0.34 0.00 -0.57 0.00 0.00 34.95 30.99 3i8i s ARG 35 CO 0.77 0.59 1.69 0.41 -1.08 0.00 0.00 175.30 177.69 3i8i n GLY 36 N 2.51 0.55 1.39 3.88 0.00 -1.26 -4.53 105.19 107.73 3i8i n GLY 36 Ca -0.18 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.07 3i8i n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8i n LYS 37 N 7.95 3.55 0.00 1.61 5.02 -1.16 -3.63 118.16 131.50 3i8i n LYS 37 Ca 0.46 -3.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.75 3i8i n LYS 37 Cb 0.43 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 3i8i n LYS 37 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 3i8i n HIS 38 N -0.18 0.00 -2.97 2.13 1.44 -1.26 -4.99 115.22 109.39 3i8i n HIS 38 Ca 0.28 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.57 3i8i n HIS 38 Cb 1.08 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 31.14 3i8i n HIS 38 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3i8i s ARG 39 N -1.27 4.17 0.00 -1.40 0.52 -1.24 -4.93 118.95 114.80 3i8i s ARG 39 Ca 0.00 0.81 0.00 0.00 -0.52 0.00 0.00 55.73 56.02 3i8i s ARG 39 Cb 0.00 -3.64 0.00 0.00 0.52 0.00 0.00 34.95 31.83 3i8i s ARG 39 CO 0.00 -0.46 0.03 -2.30 0.02 0.00 0.00 175.30 172.58 3i8i n PRO 40 N 5.84 0.03 -0.82 3.54 -0.02 -1.26 -1.47 135.00 140.84 3i8i n PRO 40 Ca 0.03 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.56 3i8i n PRO 40 Cb 0.48 -1.01 0.09 0.00 -0.02 0.00 0.00 33.50 33.04 3i8i n PRO 40 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3i8i n ASP 41 N -0.10 1.22 -4.53 2.55 5.75 -1.26 -5.06 116.55 115.12 3i8i n ASP 41 Ca 0.00 -2.71 -0.53 0.00 -0.01 0.00 0.00 54.79 51.54 3i8i n ASP 41 Cb 0.00 -0.37 -0.07 0.00 -1.03 0.00 0.00 41.12 39.66 3i8i n ASP 41 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3i8i n TRP 42 N -0.36 1.77 -4.70 2.11 -0.00 -0.54 -4.70 117.44 111.02 3i8i n TRP 42 Ca 0.10 0.34 -0.33 0.00 -0.00 0.00 0.00 57.50 57.61 3i8i n TRP 42 Cb 0.85 -2.51 -0.14 0.00 -0.00 0.00 0.00 31.31 29.51 3i8i n TRP 42 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 3i8i s THR 43 N 5.91 3.25 -0.54 5.87 2.01 -1.26 -5.03 115.64 125.86 3i8i s THR 43 Ca 1.06 -0.60 0.24 0.00 0.31 0.00 0.00 61.69 62.70 3i8i s THR 43 Cb -0.94 -2.37 0.30 0.00 0.01 0.00 0.00 72.50 69.50 3i8i s THR 43 CO 0.55 0.53 1.63 1.55 -0.69 0.00 0.00 174.62 178.19 3i8i h PRO 44 N 6.53 0.00 -0.44 4.92 0.13 -1.98 -3.29 132.00 137.87 3i8i h PRO 44 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3i8i h PRO 44 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3i8i h PRO 44 CO 0.57 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.61 3i8i n ASN 45 N -2.76 3.25 -0.03 1.44 2.04 -1.26 -4.53 115.26 113.41 3i8i n ASN 45 Ca 0.04 -1.96 -0.04 0.00 -0.44 0.00 0.00 54.58 52.19 3i8i n ASN 45 Cb 0.49 -0.28 -0.05 0.00 -2.53 0.00 0.00 39.78 37.41 3i8i n ASN 45 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37 3i8i n VAL 46 N 1.33 0.45 -2.44 3.53 3.14 -1.24 -5.07 118.33 118.03 3i8i n VAL 46 Ca 0.20 -0.27 -0.05 0.00 -2.96 0.00 0.00 64.34 61.26 3i8i n VAL 46 Cb 0.56 -0.82 0.01 0.00 -1.06 0.00 0.00 33.84 32.52 3i8i n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i8i n ALA 47 N -2.30 -2.90 -1.83 1.55 0.00 -1.25 -4.98 120.51 108.80 3i8i n ALA 47 Ca -0.11 0.70 0.06 0.00 0.00 0.00 0.00 53.44 54.08 3i8i n ALA 47 Cb 0.71 -2.39 0.14 0.00 0.00 0.00 0.00 19.45 17.91 3i8i n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8i n MET 48 N -0.53 1.06 -0.24 0.00 0.00 -1.26 -5.01 117.12 111.14 3i8i n MET 48 Ca 0.07 -2.80 -0.05 0.00 0.00 0.00 0.00 57.70 54.92 3i8i n MET 48 Cb 0.34 -1.11 0.04 0.00 0.00 0.00 0.00 33.22 32.49 3i8i n MET 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i8i n GLY 49 N -0.64 -1.88 3.96 3.17 0.00 -1.20 -4.35 105.19 104.26 3i8i n GLY 49 Ca 0.14 -1.56 -0.25 0.00 0.00 0.00 0.00 46.02 44.35 3i8i n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i8i s ASP 50 N -1.90 4.28 -0.03 1.61 1.01 -0.83 -4.67 116.67 116.14 3i8i s ASP 50 Ca 0.12 0.00 -0.03 0.00 0.71 0.00 0.00 52.55 53.35 3i8i s ASP 50 Cb -0.01 -0.42 -0.04 0.00 1.01 0.00 0.00 42.92 43.46 3i8i s ASP 50 CO 0.09 -1.92 0.15 -0.36 0.21 0.00 0.00 175.17 173.35 3i8i s PHE 51 N -3.29 3.51 -0.00 4.23 0.40 -0.37 -4.55 117.98 117.91 3i8i s PHE 51 Ca 0.66 0.37 0.06 0.00 -0.60 0.00 0.00 56.93 57.42 3i8i s PHE 51 Cb -0.07 -1.84 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 3i8i s PHE 51 CO 0.46 0.65 -0.20 0.08 0.70 0.00 0.00 175.22 176.91 3i8i s VAL 52 N -1.23 1.57 -0.13 -0.44 1.01 -0.89 -2.59 120.40 117.70 3i8i s VAL 52 Ca 0.24 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3i8i s VAL 52 Cb -0.12 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.96 3i8i s VAL 52 CO 0.14 0.39 -0.13 0.68 0.00 0.00 0.00 175.10 176.19 3i8i s VAL 53 N -0.52 1.41 -0.08 2.92 -7.23 -1.02 0.49 120.40 116.38 3i8i s VAL 53 Ca 0.07 -0.55 0.05 0.00 -1.81 0.00 0.00 61.98 59.74 3i8i s VAL 53 Cb -0.08 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.52 3i8i s VAL 53 CO -0.00 0.43 -0.23 -0.69 -0.31 0.00 0.00 175.10 174.30 3i8i s VAL 54 N 1.35 2.20 0.42 1.32 1.01 0.42 -0.02 120.40 127.10 3i8i s VAL 54 Ca 0.01 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.06 3i8i s VAL 54 Cb -0.13 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 3i8i s VAL 54 CO -0.07 0.56 0.16 0.68 0.00 0.00 0.00 175.10 176.43 3i8i s VAL 55 N 0.07 2.20 -1.34 2.92 -7.23 -1.05 0.58 120.40 116.55 3i8i s VAL 55 Ca -0.10 -1.74 -0.04 0.00 -1.81 0.00 0.00 61.98 58.29 3i8i s VAL 55 Cb -0.16 -2.94 0.02 0.00 0.56 0.00 0.00 36.38 33.87 3i8i s VAL 55 CO 0.06 0.00 0.87 0.59 -0.31 0.00 0.00 175.10 176.30 3i8i n ASN 56 N -1.22 -2.63 -4.43 4.85 5.03 0.21 -4.09 115.26 112.97 3i8i n ASN 56 Ca -0.02 -0.75 -0.44 0.00 0.87 0.00 0.00 54.58 54.25 3i8i n ASN 56 Cb 0.65 -4.32 -0.04 0.00 -1.02 0.00 0.00 39.78 35.05 3i8i n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i8i s ALA 57 N -3.50 3.22 0.00 5.41 0.00 -0.18 -2.43 121.76 124.28 3i8i s ALA 57 Ca 0.20 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 50.16 3i8i s ALA 57 Cb -0.10 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.26 3i8i s ALA 57 CO 0.79 -2.65 0.00 -0.40 0.00 0.00 0.00 175.76 173.50 3i8i n ASP 58 N 7.22 0.00 -1.74 0.00 5.75 -1.26 -3.55 116.55 122.97 3i8i n ASP 58 Ca -0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.72 3i8i n ASP 58 Cb 0.45 0.00 0.28 0.00 -1.03 0.00 0.00 41.12 40.81 3i8i n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3i8i n LYS 59 N 0.00 3.56 -3.06 0.11 4.76 -1.02 -4.90 118.16 117.61 3i8i n LYS 59 Ca 0.00 -2.52 -0.40 0.00 -2.87 0.00 0.00 58.31 52.52 3i8i n LYS 59 Cb 0.00 -2.08 -0.05 0.00 -1.84 0.00 0.00 35.03 31.06 3i8i n LYS 59 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3i8i s ILE 60 N -2.50 4.86 -0.08 -0.18 -0.00 -1.26 0.66 121.20 122.69 3i8i s ILE 60 Ca 0.45 1.48 -0.16 0.00 -0.00 0.00 0.00 60.65 62.42 3i8i s ILE 60 Cb 0.35 -4.05 -0.05 0.00 -0.00 0.00 0.00 42.46 38.72 3i8i s ILE 60 CO 0.12 0.35 0.42 -0.13 -0.00 0.00 0.00 174.94 175.70 3i8i s ARG 61 N 0.11 4.18 0.20 0.37 3.00 -0.75 -4.92 118.95 121.16 3i8i s ARG 61 Ca 0.36 0.37 0.06 0.00 0.00 0.00 0.00 55.73 56.53 3i8i s ARG 61 Cb -0.19 -3.36 -0.04 0.00 0.00 0.00 0.00 34.95 31.36 3i8i s ARG 61 CO 0.20 0.35 0.13 0.08 0.00 0.00 0.00 175.30 176.06 3i8i s VAL 62 N 0.01 4.29 0.41 3.52 1.01 -1.26 -3.97 120.40 124.41 3i8i s VAL 62 Ca 0.23 -1.31 0.08 0.00 0.00 0.00 0.00 61.98 60.99 3i8i s VAL 62 Cb -0.15 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.99 3i8i s VAL 62 CO 0.10 -0.21 0.53 0.28 0.00 0.00 0.00 175.10 175.80 3i8i s THR 63 N -1.93 3.05 0.00 3.92 -1.32 -1.26 -4.97 115.64 113.13 3i8i s THR 63 Ca 0.31 -1.05 0.00 0.00 -1.21 0.00 0.00 61.69 59.74 3i8i s THR 63 Cb -0.09 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.87 3i8i s THR 63 CO 0.23 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.23 3i8i n GLY 64 N -1.79 2.32 1.30 6.08 0.00 -1.26 -2.98 105.19 108.86 3i8i n GLY 64 Ca 0.07 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.78 3i8i n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8i n LYS 65 N 11.59 3.67 -0.27 1.61 5.02 -1.26 -4.69 118.16 133.83 3i8i n LYS 65 Ca 0.00 -2.88 0.09 0.00 -2.02 0.00 0.00 58.31 53.50 3i8i n LYS 65 Cb 0.00 -1.93 0.23 0.00 -0.02 0.00 0.00 35.03 33.31 3i8i n LYS 65 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3i8i h LYS 66 N 2.90 0.23 -0.85 1.97 1.57 -1.85 -1.53 116.57 119.02 3i8i h LYS 66 Ca 0.00 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.91 3i8i h LYS 66 Cb 1.54 -0.05 -0.14 0.00 0.08 0.00 0.00 32.23 33.66 3i8i h LYS 66 CO 0.29 0.15 -0.29 1.28 -0.57 0.00 0.00 179.45 180.30 3i8i n LEU 67 N -5.20 -0.47 0.03 2.94 4.77 -1.26 -0.34 117.00 117.47 3i8i n LEU 67 Ca 0.17 1.47 0.02 0.00 -0.03 0.00 0.00 56.01 57.64 3i8i n LEU 67 Cb 0.56 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 3i8i n LEU 67 CO 0.09 -1.35 -0.35 -0.62 -1.33 0.00 0.00 177.39 173.83 3i8i n GLU 68 N -5.29 0.63 -1.48 3.23 1.02 -0.89 -0.34 120.64 117.52 3i8i n GLU 68 Ca 0.10 0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 57.27 3i8i n GLU 68 Cb 0.37 -1.77 0.09 0.00 -0.02 0.00 0.00 31.44 30.11 3i8i n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i8i n GLN 69 N -2.79 2.85 -4.01 3.49 10.64 0.54 -4.70 117.38 123.40 3i8i n GLN 69 Ca -0.09 -3.84 -0.34 0.00 -1.83 0.00 0.00 57.00 50.90 3i8i n GLN 69 Cb 0.80 -2.03 -0.15 0.00 -0.86 0.00 0.00 30.24 28.00 3i8i n GLN 69 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 3i8i s LYS 70 N -3.47 2.58 -0.29 2.61 2.20 0.54 -4.81 119.74 119.10 3i8i s LYS 70 Ca 0.46 -1.14 -0.04 0.00 -0.36 0.00 0.00 55.97 54.90 3i8i s LYS 70 Cb 0.40 -2.94 0.03 0.00 -1.51 0.00 0.00 37.83 33.81 3i8i s LYS 70 CO -0.00 -0.47 0.02 0.96 -0.36 0.00 0.00 175.35 175.49 3i8i s ILE 71 N 1.23 3.30 0.35 5.43 -0.00 -1.26 0.83 121.20 131.08 3i8i s ILE 71 Ca -0.03 -1.12 -0.26 0.00 -0.00 0.00 0.00 60.65 59.24 3i8i s ILE 71 Cb -0.18 -2.80 -0.09 0.00 -0.00 0.00 0.00 42.46 39.39 3i8i s ILE 71 CO -0.05 -0.01 1.08 -0.31 -0.00 0.00 0.00 174.94 175.65 3i8i s TYR 72 N 1.35 3.36 0.04 1.37 2.02 0.21 -4.82 117.35 120.88 3i8i s TYR 72 Ca -0.02 1.66 0.04 0.00 -0.37 0.00 0.00 57.07 58.38 3i8i s TYR 72 Cb -0.18 -3.23 -0.02 0.00 -0.40 0.00 0.00 41.96 38.13 3i8i s TYR 72 CO -0.00 -0.69 -0.12 0.95 -1.57 0.00 0.00 175.55 174.12 3i8i s THR 73 N -1.43 0.92 0.04 -0.71 -4.23 -1.26 -0.61 115.64 108.36 3i8i s THR 73 Ca 0.52 -0.96 0.06 0.00 -1.18 0.00 0.00 61.69 60.14 3i8i s THR 73 Cb -0.27 -0.86 -0.02 0.00 1.34 0.00 0.00 72.50 72.68 3i8i s THR 73 CO 0.34 -0.08 -0.19 -0.13 -0.54 0.00 0.00 174.62 174.03 3i8i s ARG 74 N -1.16 1.28 -0.22 3.99 0.52 0.83 -4.92 118.95 119.27 3i8i s ARG 74 Ca -0.01 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.34 3i8i s ARG 74 Cb -0.08 -1.36 0.05 0.00 0.52 0.00 0.00 34.95 34.09 3i8i s ARG 74 CO 0.01 0.35 -0.07 -0.47 0.02 0.00 0.00 175.30 175.14 3i8i s TYR 75 N -0.77 2.35 0.00 -0.53 5.04 -1.24 0.28 117.35 122.48 3i8i s TYR 75 Ca 0.06 -1.66 0.00 0.00 -2.44 0.00 0.00 57.07 53.03 3i8i s TYR 75 Cb -0.08 -1.58 0.00 0.00 0.35 0.00 0.00 41.96 40.65 3i8i s TYR 75 CO 0.01 -0.75 0.00 -1.13 -1.34 0.00 0.00 175.55 172.34 3i8i n SER 76 N 4.69 -0.61 0.03 4.32 3.41 0.27 -4.92 113.62 120.82 3i8i n SER 76 Ca -0.13 -0.12 0.08 0.00 -0.26 0.00 0.00 58.87 58.44 3i8i n SER 76 Cb 0.45 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.31 3i8i n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8i n GLY 77 N 1.41 -1.21 3.73 5.00 0.00 -1.26 -4.89 105.19 107.97 3i8i n GLY 77 Ca 0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 3i8i n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i8i s TYR 78 N -3.29 2.38 0.26 1.61 1.51 -1.26 -4.96 117.35 113.60 3i8i s TYR 78 Ca -0.05 1.15 -0.30 0.00 -1.01 0.00 0.00 57.07 56.87 3i8i s TYR 78 Cb 0.11 -3.19 -0.10 0.00 -0.11 0.00 0.00 41.96 38.67 3i8i s TYR 78 CO 0.84 -2.39 1.39 -2.14 -1.11 0.00 0.00 175.55 172.15 3i8i s PRO 79 N -5.01 4.30 -1.77 -1.71 0.02 -1.26 -2.02 135.00 127.55 3i8i s PRO 79 Ca 0.63 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.90 3i8i s PRO 79 Cb -0.17 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.24 3i8i s PRO 79 CO 0.56 -0.35 0.00 0.41 -0.33 0.00 0.00 177.00 177.29 3i8i n GLY 80 N 1.92 1.32 1.13 0.52 0.00 -1.26 -4.86 105.19 103.95 3i8i n GLY 80 Ca 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 3i8i n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8i n GLY 81 N -0.88 2.33 3.81 -0.02 0.00 -0.86 -4.85 105.19 104.72 3i8i n GLY 81 Ca -0.18 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 3i8i n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i8i s LEU 82 N -0.75 4.44 -0.08 0.99 2.96 -1.26 0.95 118.68 125.92 3i8i s LEU 82 Ca 0.14 0.92 0.05 0.00 -0.22 0.00 0.00 54.13 55.01 3i8i s LEU 82 Cb 0.11 -2.59 -0.00 0.00 0.50 0.00 0.00 46.19 44.21 3i8i s LEU 82 CO 0.03 0.27 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.55 3i8i s LYS 83 N -0.76 2.79 -0.50 1.98 1.02 0.80 -4.94 119.74 120.14 3i8i s LYS 83 Ca 0.24 -0.86 0.02 0.00 0.02 0.00 0.00 55.97 55.39 3i8i s LYS 83 Cb -0.16 -2.19 0.13 0.00 -0.52 0.00 0.00 37.83 35.08 3i8i s LYS 83 CO 0.12 0.24 0.25 0.15 -0.92 0.00 0.00 175.35 175.20 3i8i s LYS 84 N 0.17 2.01 -0.24 1.68 1.02 -1.26 -0.12 119.74 123.00 3i8i s LYS 84 Ca -0.13 -2.42 -0.19 0.00 0.02 0.00 0.00 55.97 53.24 3i8i s LYS 84 Cb -0.16 -3.40 -0.02 0.00 -0.52 0.00 0.00 37.83 33.72 3i8i s LYS 84 CO 0.07 -1.09 0.57 0.42 -0.92 0.00 0.00 175.35 174.40 3i8i s ILE 85 N 0.06 5.04 0.48 2.17 1.01 0.22 -4.92 121.20 125.26 3i8i s ILE 85 Ca 0.15 1.02 -0.21 0.00 0.00 0.00 0.00 60.65 61.61 3i8i s ILE 85 Cb -0.23 -3.88 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 3i8i s ILE 85 CO -0.02 0.08 1.06 -2.16 0.00 0.00 0.00 174.94 173.90 3i8i s PRO 86 N 2.23 3.77 0.17 2.79 0.04 -1.26 -0.62 135.00 142.12 3i8i s PRO 86 Ca 0.24 1.45 -0.24 0.00 0.04 0.00 0.00 61.00 62.49 3i8i s PRO 86 Cb -0.16 -2.16 0.06 0.00 0.04 0.00 0.00 34.50 32.28 3i8i s PRO 86 CO 0.09 -0.47 1.57 1.25 0.04 0.00 0.00 177.00 179.48 3i8i h LEU 87 N 1.65 -1.40 -0.92 -3.56 6.46 0.34 -1.69 115.31 116.19 3i8i h LEU 87 Ca -0.49 0.24 0.18 0.00 -0.12 0.00 0.00 57.88 57.68 3i8i h LEU 87 Cb 1.23 0.65 -0.17 0.00 -0.73 0.00 0.00 40.66 41.64 3i8i h LEU 87 CO 0.59 -0.33 -0.27 -0.33 -0.62 0.00 0.00 178.44 177.48 3i8i h GLU 88 N -0.22 -0.01 -0.24 1.25 5.08 -0.97 0.40 114.58 119.87 3i8i h GLU 88 Ca 0.19 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 3i8i h GLU 88 Cb 0.56 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 3i8i h GLU 88 CO -0.68 -0.01 -0.09 -0.22 -1.00 0.00 0.00 179.01 177.02 3i8i h LYS 89 N -0.01 -0.05 0.19 2.33 1.63 -1.60 -1.13 116.57 117.93 3i8i h LYS 89 Ca 0.42 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 3i8i h LYS 89 Cb 0.66 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.26 3i8i h LYS 89 CO -0.95 -0.03 -0.44 1.98 -3.45 0.00 0.00 179.45 176.56 3i8i h MET 90 N -0.05 -0.68 -0.63 1.90 4.05 -0.02 0.54 114.93 120.04 3i8i h MET 90 Ca 0.12 0.05 0.12 0.00 -0.28 0.00 0.00 59.70 59.71 3i8i h MET 90 Cb 0.23 0.15 -0.12 0.00 -0.80 0.00 0.00 31.60 31.07 3i8i h MET 90 CO -0.27 -0.45 -0.21 -0.07 0.23 0.00 0.00 176.91 176.14 3i8i h LEU 91 N -0.70 -0.74 0.67 3.39 3.38 -1.11 1.04 115.31 121.24 3i8i h LEU 91 Ca -0.02 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3i8i h LEU 91 Cb 0.67 0.45 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 3i8i h LEU 91 CO -0.19 -0.24 -0.38 0.00 0.09 0.00 0.00 178.44 177.72 3i8i h ALA 92 N 1.48 -0.99 0.09 1.53 0.00 -0.49 -2.43 119.26 118.45 3i8i h ALA 92 Ca 0.29 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.73 3i8i h ALA 92 Cb 0.50 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3i8i h ALA 92 CO -0.67 -1.07 -1.25 0.00 0.00 0.00 0.00 179.25 176.26 3i8i h THR 93 N -0.98 1.47 -2.07 0.00 1.03 0.36 -3.41 112.91 109.30 3i8i h THR 93 Ca -0.09 -3.09 -0.48 0.00 -0.01 0.00 0.00 66.41 62.74 3i8i h THR 93 Cb 0.78 2.88 -0.33 0.00 -1.07 0.00 0.00 68.15 70.40 3i8i h THR 93 CO 0.11 0.89 -0.84 -1.00 -0.01 0.00 0.00 175.52 174.67 3i8i s HIS 94 N -2.66 0.37 1.06 0.00 3.76 0.36 -5.06 115.29 113.12 3i8i s HIS 94 Ca -0.04 -1.76 -0.15 0.00 -0.15 0.00 0.00 55.06 52.96 3i8i s HIS 94 Cb 0.08 -0.62 0.11 0.00 1.11 0.00 0.00 32.58 33.26 3i8i s HIS 94 CO 0.86 -0.93 0.35 -2.30 -0.85 0.00 0.00 174.74 171.87 3i8i n PRO 95 N 3.13 -1.23 0.00 8.40 -0.02 -0.92 -4.23 135.00 140.13 3i8i n PRO 95 Ca 0.24 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 3i8i n PRO 95 Cb 0.48 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3i8i n PRO 95 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3i8i n GLU 96 N -2.49 0.00 0.00 -0.52 0.00 -1.23 -4.60 120.64 111.79 3i8i n GLU 96 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.20 3i8i n GLU 96 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.02 3i8i n GLU 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3i8i n ARG 97 N -0.87 0.00 -0.06 3.44 0.63 -1.26 -4.16 116.66 114.38 3i8i n ARG 97 Ca 0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 3i8i n ARG 97 Cb 0.00 -2.80 -0.12 0.00 0.45 0.00 0.00 32.46 29.99 3i8i n ARG 97 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 3i8i n VAL 98 N -0.78 1.63 0.07 5.15 3.14 -1.26 -2.02 118.33 124.26 3i8i n VAL 98 Ca 0.00 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 3i8i n VAL 98 Cb 0.00 -1.92 -0.05 0.00 -1.06 0.00 0.00 33.84 30.81 3i8i n VAL 98 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 3i8i h LEU 99 N -0.58 0.00 -0.22 6.55 7.12 -1.94 -2.84 115.31 123.41 3i8i h LEU 99 Ca -0.39 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 57.51 3i8i h LEU 99 Cb 1.60 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.73 3i8i h LEU 99 CO -0.10 0.59 -0.31 -0.08 -0.13 0.00 0.00 178.44 178.42 3i8i h GLU 100 N 0.00 0.60 -0.14 1.25 4.81 -1.85 -1.77 114.58 117.48 3i8i h GLU 100 Ca -0.09 -0.35 -0.11 0.00 -0.13 0.00 0.00 59.36 58.67 3i8i h GLU 100 Cb 1.54 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.93 3i8i h GLU 100 CO 0.06 0.95 -0.42 1.25 -0.73 0.00 0.00 179.01 180.13 3i8i h HIS 101 N 0.28 0.38 -0.50 0.92 2.76 -1.49 -2.11 115.15 115.40 3i8i h HIS 101 Ca 0.02 -0.11 -0.04 0.00 -2.20 0.00 0.00 60.37 58.04 3i8i h HIS 101 Cb 0.88 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.74 3i8i h HIS 101 CO 0.08 0.69 0.14 0.00 -1.30 0.00 0.00 177.93 177.55 3i8i h ALA 102 N 1.30 0.66 0.15 5.26 0.00 -1.33 -2.06 119.26 123.23 3i8i h ALA 102 Ca 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3i8i h ALA 102 Cb 0.85 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i8i h ALA 102 CO 0.07 0.34 -0.07 0.28 0.00 0.00 0.00 179.25 179.86 3i8i h VAL 103 N 0.69 0.96 -0.80 0.00 2.07 -1.11 -2.86 116.25 115.20 3i8i h VAL 103 Ca 0.16 -0.48 0.19 0.00 0.82 0.00 0.00 66.70 67.39 3i8i h VAL 103 Cb 0.30 1.25 -0.13 0.00 -1.52 0.00 0.00 31.29 31.20 3i8i h VAL 103 CO -0.00 0.11 0.17 0.50 0.02 0.00 0.00 177.57 178.37 3i8i h LYS 104 N -0.44 0.21 -0.31 1.57 3.64 -1.28 0.73 116.57 120.70 3i8i h LYS 104 Ca -0.02 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.44 3i8i h LYS 104 Cb 0.34 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3i8i h LYS 104 CO 0.03 0.14 0.23 0.78 -2.27 0.00 0.00 179.45 178.36 3i8i h GLY 105 N 0.22 0.00 -0.30 5.01 0.00 -1.14 -1.91 103.07 104.95 3i8i h GLY 105 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3i8i h GLY 105 CO -0.60 0.00 -0.43 1.03 0.00 0.00 0.00 176.54 176.54 3i8i n MET 106 N -4.38 0.89 -3.07 4.80 2.81 0.25 -4.90 117.12 113.53 3i8i n MET 106 Ca 0.04 -0.66 -0.36 0.00 -1.81 0.00 0.00 57.70 54.92 3i8i n MET 106 Cb 0.40 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.36 3i8i n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3i8i s LEU 107 N -2.56 4.33 0.78 4.03 1.43 -0.72 -5.01 118.68 120.96 3i8i s LEU 107 Ca 0.20 1.46 -0.13 0.00 -1.03 0.00 0.00 54.13 54.62 3i8i s LEU 107 Cb 0.18 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.82 3i8i s LEU 107 CO 0.58 0.01 1.16 -2.16 0.23 0.00 0.00 176.35 176.17 3i8i s PRO 108 N -2.02 1.93 0.38 1.29 0.04 -1.26 -4.99 135.00 130.36 3i8i s PRO 108 Ca 0.44 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 63.02 3i8i s PRO 108 Cb -0.17 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3i8i s PRO 108 CO 0.21 -1.95 0.61 0.15 0.04 0.00 0.00 177.00 176.06 3i8i s LYS 109 N -4.31 3.51 0.00 4.56 -0.14 -1.26 -4.11 119.74 118.00 3i8i s LYS 109 Ca 0.69 -0.16 0.00 0.00 -1.36 0.00 0.00 55.97 55.14 3i8i s LYS 109 Cb -0.24 -2.58 0.00 0.00 -1.68 0.00 0.00 37.83 33.32 3i8i s LYS 109 CO 0.50 0.06 0.00 0.41 -0.76 0.00 0.00 175.35 175.56 3i8i n GLY 110 N -1.83 0.96 0.15 -3.33 0.00 -1.26 -4.39 105.19 95.48 3i8i n GLY 110 Ca -0.03 -2.25 -0.06 0.00 0.00 0.00 0.00 46.02 43.69 3i8i n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i8i h PRO 111 N 0.00 -0.31 -0.56 1.61 0.11 -1.94 0.42 132.00 131.33 3i8i h PRO 111 Ca 0.00 0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.29 3i8i h PRO 111 Cb 0.00 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 3i8i h PRO 111 CO 0.00 -0.21 0.42 1.25 -0.21 0.00 0.00 178.00 179.25 3i8i h LEU 112 N -0.32 0.00 0.69 2.35 6.46 -1.95 0.76 115.31 123.31 3i8i h LEU 112 Ca -0.02 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 3i8i h LEU 112 Cb 0.27 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 3i8i h LEU 112 CO -0.01 0.00 -0.45 1.23 -0.62 0.00 0.00 178.44 178.60 3i8i h GLY 113 N 0.00 -1.20 0.00 3.75 0.00 -1.50 -2.89 103.07 101.23 3i8i h GLY 113 Ca 0.27 0.50 0.00 0.00 0.00 0.00 0.00 47.33 48.10 3i8i h GLY 113 CO -0.00 -0.41 0.00 0.54 0.00 0.00 0.00 176.54 176.67 3i8i n ARG 114 N -5.58 1.42 0.00 4.80 1.74 0.26 -3.21 116.66 116.10 3i8i n ARG 114 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 3i8i n ARG 114 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 3i8i n ARG 114 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3i8i n ARG 115 N 0.00 0.00 -0.30 5.56 0.63 -1.23 -3.41 116.66 117.91 3i8i n ARG 115 Ca 0.00 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.96 3i8i n ARG 115 Cb 0.00 0.00 0.23 0.00 0.45 0.00 0.00 32.46 33.14 3i8i n ARG 115 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3i8i h LEU 116 N 0.00 0.93 -1.52 6.15 3.38 -1.52 0.62 115.31 123.35 3i8i h LEU 116 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3i8i h LEU 116 Cb 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3i8i h LEU 116 CO 0.00 0.61 -0.12 0.15 0.09 0.00 0.00 178.44 179.17 3i8i h PHE 117 N 1.06 0.17 -0.79 1.13 3.57 -1.56 -0.60 116.94 119.91 3i8i h PHE 117 Ca 0.38 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 3i8i h PHE 117 Cb 0.15 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 3i8i h PHE 117 CO -0.00 0.29 0.47 0.87 -2.23 0.00 0.00 178.31 177.70 3i8i h LYS 118 N 0.16 1.08 -2.07 1.11 1.57 -0.08 -2.70 116.57 115.64 3i8i h LYS 118 Ca 0.03 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3i8i h LYS 118 Cb 0.31 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3i8i h LYS 118 CO 0.02 0.76 -0.02 0.54 -0.57 0.00 0.00 179.45 180.18 3i8i n ARG 119 N -4.37 0.82 -3.70 3.15 1.74 -0.23 -4.62 116.66 109.45 3i8i n ARG 119 Ca 0.08 -0.14 -0.16 0.00 -0.77 0.00 0.00 57.85 56.86 3i8i n ARG 119 Cb 0.07 -1.30 -0.15 0.00 -1.02 0.00 0.00 32.46 30.06 3i8i n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3i8i s LEU 120 N 0.00 0.25 -0.12 0.55 1.98 -1.02 -2.09 118.68 118.22 3i8i s LEU 120 Ca 0.10 0.30 0.02 0.00 -2.89 0.00 0.00 54.13 51.66 3i8i s LEU 120 Cb 0.05 0.28 0.01 0.00 0.66 0.00 0.00 46.19 47.19 3i8i s LEU 120 CO 0.00 -0.21 -0.18 -0.54 -1.89 0.00 0.00 176.35 173.53 3i8i s LYS 121 N 1.86 2.55 -0.06 1.98 -0.14 0.18 -4.95 119.74 121.16 3i8i s LYS 121 Ca -0.02 -0.68 0.05 0.00 -1.36 0.00 0.00 55.97 53.96 3i8i s LYS 121 Cb -0.12 -2.13 -0.00 0.00 -1.68 0.00 0.00 37.83 33.90 3i8i s LYS 121 CO -0.06 -0.06 -0.21 0.08 -0.76 0.00 0.00 175.35 174.35 3i8i s VAL 122 N 0.96 1.76 0.01 3.17 1.01 -1.26 -0.44 120.40 125.61 3i8i s VAL 122 Ca -0.06 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3i8i s VAL 122 Cb -0.15 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 3i8i s VAL 122 CO -0.03 0.49 -0.13 -0.31 0.00 0.00 0.00 175.10 175.13 3i8i s TYR 123 N 0.04 1.12 0.26 5.22 1.51 0.20 -4.94 117.35 120.77 3i8i s TYR 123 Ca -0.07 -0.27 -0.26 0.00 -1.01 0.00 0.00 57.07 55.47 3i8i s TYR 123 Cb -0.14 -0.70 -0.09 0.00 -0.11 0.00 0.00 41.96 40.92 3i8i s TYR 123 CO 0.04 -0.00 0.88 0.00 -1.11 0.00 0.00 175.55 175.36 3i8i s ALA 124 N -0.52 3.31 0.08 3.71 0.00 -1.26 -1.01 121.76 126.08 3i8i s ALA 124 Ca 0.03 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.46 3i8i s ALA 124 Cb -0.06 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3i8i s ALA 124 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.40 3i8i n GLY 125 N 0.99 -1.42 2.13 0.00 0.00 -1.26 -4.56 105.19 101.07 3i8i n GLY 125 Ca -0.01 -1.13 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 3i8i n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i8i n PRO 126 N -2.17 -0.49 -1.58 1.61 -0.04 -1.26 0.66 135.00 131.74 3i8i n PRO 126 Ca 0.00 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.24 3i8i n PRO 126 Cb 0.16 -0.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 3i8i n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3i8i n ASP 127 N -3.34 -7.14 -3.14 3.54 9.92 -1.26 -4.87 116.55 110.26 3i8i n ASP 127 Ca 0.09 1.00 -0.18 0.00 -0.53 0.00 0.00 54.79 55.16 3i8i n ASP 127 Cb 0.32 -3.84 -0.06 0.00 -0.64 0.00 0.00 41.12 36.90 3i8i n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i8i n HIS 128 N 1.15 -0.21 -2.56 1.24 1.44 -1.26 -4.95 115.22 110.07 3i8i n HIS 128 Ca 0.00 -2.17 -0.42 0.00 -2.01 0.00 0.00 57.72 53.12 3i8i n HIS 128 Cb 0.00 0.10 -0.03 0.00 0.12 0.00 0.00 29.99 30.18 3i8i n HIS 128 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 3i8i s PRO 129 N -3.18 3.34 -0.72 -1.40 0.02 -1.26 -4.98 135.00 126.83 3i8i s PRO 129 Ca 0.23 0.01 -0.26 0.00 0.02 0.00 0.00 61.00 61.00 3i8i s PRO 129 Cb 0.01 -4.10 0.01 0.00 0.02 0.00 0.00 34.50 30.44 3i8i s PRO 129 CO 0.16 -1.93 1.54 -1.01 -0.33 0.00 0.00 177.00 175.44 3i8i s HIS 130 N 5.41 2.04 0.00 6.54 3.76 -1.26 -4.59 115.29 127.18 3i8i s HIS 130 Ca 0.39 0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.55 3i8i s HIS 130 Cb -0.08 -4.40 0.00 0.00 1.11 0.00 0.00 32.58 29.21 3i8i s HIS 130 CO 0.20 -2.14 0.00 0.00 -0.85 0.00 0.00 174.74 171.95 3i8i n GLN 131 N 9.25 2.16 0.00 1.40 0.00 -1.26 -5.09 117.38 123.84 3i8i n GLN 131 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.13 3i8i n GLN 131 Cb 0.50 -0.63 0.00 0.00 0.00 0.00 0.00 30.24 30.11 3i8i n GLN 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3i8i n ALA 132 N -0.72 0.00 -1.41 2.61 0.00 -1.26 -5.16 120.51 114.57 3i8i n ALA 132 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8i n ALA 132 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3i8i n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8i n GLN 133 N 0.00 3.42 0.00 0.00 10.64 -1.26 -5.06 117.38 125.12 3i8i n GLN 133 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3i8i n GLN 133 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3i8i n GLN 133 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 3i8i n ARG 134 N 0.00 0.00 -1.53 2.61 1.85 -1.05 -4.95 116.66 113.59 3i8i n ARG 134 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.69 3i8i n ARG 134 Cb 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.29 3i8i n ARG 134 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3i8i n PRO 135 N 0.00 0.34 -1.43 2.89 -0.02 -1.10 -3.61 135.00 132.07 3i8i n PRO 135 Ca 0.00 -0.59 -0.30 0.00 -2.02 0.00 0.00 63.50 60.60 3i8i n PRO 135 Cb 0.00 -2.75 0.11 0.00 -0.02 0.00 0.00 33.50 30.83 3i8i n PRO 135 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3i8i s GLU 136 N 8.19 1.80 0.00 -0.52 -1.05 -1.25 -3.61 118.70 122.25 3i8i s GLU 136 Ca 1.04 0.71 0.00 0.00 -0.15 0.00 0.00 54.97 56.57 3i8i s GLU 136 Cb -0.37 -1.88 0.00 0.00 -0.44 0.00 0.00 34.13 31.44 3i8i s GLU 136 CO 0.25 -1.84 0.00 1.17 0.95 0.00 0.00 175.26 175.79 3i8i n LYS 137 N -3.59 0.00 0.00 -4.83 3.00 -1.09 -4.86 118.16 106.79 3i8i n LYS 137 Ca 0.07 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.50 3i8i n LYS 137 Cb 0.56 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.74 3i8i n LYS 137 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29