#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9e s LYS 2 N 0.00 3.78 0.46 2.12 3.01 -1.26 -5.04 119.74 122.80 3i9e s LYS 2 Ca 0.00 0.35 -0.22 0.00 -1.01 0.00 0.00 55.97 55.09 3i9e s LYS 2 Cb 0.00 -2.50 -0.08 0.00 -1.01 0.00 0.00 37.83 34.24 3i9e s LYS 2 CO 0.00 0.11 1.07 0.99 0.51 0.00 0.00 175.35 178.03 3i9e s THR 3 N -2.15 3.63 0.51 2.17 2.01 -1.26 -4.97 115.64 115.58 3i9e s THR 3 Ca 0.49 1.12 -0.22 0.00 0.31 0.00 0.00 61.69 63.39 3i9e s THR 3 Cb -0.11 -3.52 -0.06 0.00 0.01 0.00 0.00 72.50 68.83 3i9e s THR 3 CO 0.27 -0.12 1.32 -0.47 -0.69 0.00 0.00 174.62 174.94 3i9e s TYR 4 N -1.79 2.45 -0.03 4.92 5.04 -1.26 -5.04 117.35 121.64 3i9e s TYR 4 Ca 0.64 1.40 0.01 0.00 -2.44 0.00 0.00 57.07 56.68 3i9e s TYR 4 Cb -0.20 -3.71 0.02 0.00 0.35 0.00 0.00 41.96 38.41 3i9e s TYR 4 CO 0.25 -2.57 -0.02 0.54 -1.34 0.00 0.00 175.55 172.41 3i9e s VAL 5 N -1.34 0.33 0.13 3.14 0.11 -1.26 -5.09 120.40 116.42 3i9e s VAL 5 Ca 0.68 -0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.68 3i9e s VAL 5 Cb -0.38 -0.38 0.03 0.00 -1.53 0.00 0.00 36.38 34.12 3i9e s VAL 5 CO 0.46 0.16 0.06 -2.65 -3.33 0.00 0.00 175.10 169.80 3i9e n PRO 6 N 3.90 -0.04 0.00 1.54 -0.02 -1.26 -5.09 135.00 134.03 3i9e n PRO 6 Ca -0.24 -0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.14 3i9e n PRO 6 Cb 0.52 -0.20 0.00 0.00 -0.02 0.00 0.00 33.50 33.80 3i9e n PRO 6 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3i9e n LYS 7 N -0.95 1.04 0.00 -0.52 0.00 -1.26 -4.98 118.16 111.49 3i9e n LYS 7 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 3i9e n LYS 7 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.07 3i9e n LYS 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3i9e n GLN 8 N 0.00 0.70 0.00 -1.58 1.13 -1.26 -4.93 117.38 111.44 3i9e n GLN 8 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3i9e n GLN 8 Cb 0.00 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.10 3i9e n GLN 8 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 3i9e n VAL 9 N -0.03 0.00 -3.72 5.09 0.24 -1.26 -4.83 118.33 113.81 3i9e n VAL 9 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 3i9e n VAL 9 Cb 0.12 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.37 3i9e n VAL 9 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3i9e s GLU 10 N 0.00 0.25 -0.97 7.34 2.56 -1.26 -5.08 118.70 121.54 3i9e s GLU 10 Ca 0.00 0.58 -0.25 0.00 0.00 0.00 0.00 54.97 55.30 3i9e s GLU 10 Cb 0.00 -0.09 -0.17 0.00 2.00 0.00 0.00 34.13 35.87 3i9e s GLU 10 CO 0.00 -0.16 1.95 -2.30 -0.56 0.00 0.00 175.26 174.19 3i9e n PRO 11 N 4.16 1.00 -2.38 4.30 -0.02 -1.26 -4.92 135.00 135.88 3i9e n PRO 11 Ca -0.24 -2.01 -0.40 0.00 -2.02 0.00 0.00 63.50 58.83 3i9e n PRO 11 Cb 0.54 -3.54 -0.03 0.00 -0.02 0.00 0.00 33.50 30.44 3i9e n PRO 11 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3i9e s ARG 12 N 6.89 3.02 -0.11 -0.52 3.52 -1.26 -4.78 118.95 125.71 3i9e s ARG 12 Ca 0.71 0.08 -0.30 0.00 -0.13 0.00 0.00 55.73 56.09 3i9e s ARG 12 Cb 0.02 -4.24 -0.03 0.00 -1.56 0.00 0.00 34.95 29.14 3i9e s ARG 12 CO 0.17 -2.32 1.42 -1.58 -0.81 0.00 0.00 175.30 172.18 3i9e s TRP 13 N 6.82 2.54 0.43 5.12 0.52 -1.26 -3.59 118.94 129.52 3i9e s TRP 13 Ca 0.46 0.69 0.08 0.00 0.02 0.00 0.00 56.10 57.35 3i9e s TRP 13 Cb -0.10 -3.67 -0.01 0.00 -1.15 0.00 0.00 33.47 28.55 3i9e s TRP 13 CO 0.17 -2.56 0.42 0.08 0.02 0.00 0.00 176.95 175.08 3i9e s VAL 14 N 3.56 2.59 -0.10 4.03 1.01 -1.00 -3.10 120.40 127.37 3i9e s VAL 14 Ca 0.62 -1.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 3i9e s VAL 14 Cb -0.27 -2.89 0.05 0.00 0.00 0.00 0.00 36.38 33.26 3i9e s VAL 14 CO 0.21 0.00 0.24 -0.22 0.00 0.00 0.00 175.10 175.34 3i9e s LEU 15 N -4.19 0.38 0.24 3.92 1.98 -1.25 -2.49 118.68 117.27 3i9e s LEU 15 Ca 0.48 0.52 0.10 0.00 -2.89 0.00 0.00 54.13 52.34 3i9e s LEU 15 Cb -0.04 0.71 -0.05 0.00 0.66 0.00 0.00 46.19 47.48 3i9e s LEU 15 CO 0.28 -0.17 -0.17 -0.63 -1.89 0.00 0.00 176.35 173.77 3i9e s ILE 16 N 1.33 2.09 -0.18 6.68 1.01 0.33 -2.04 121.20 130.42 3i9e s ILE 16 Ca -0.09 -2.30 -0.20 0.00 0.00 0.00 0.00 60.65 58.06 3i9e s ILE 16 Cb -0.11 -2.16 -0.22 0.00 0.01 0.00 0.00 42.46 39.98 3i9e s ILE 16 CO -0.08 -0.50 0.34 -0.78 0.00 0.00 0.00 174.94 173.92 3i9e h ASP 17 N 2.43 0.11 0.00 3.58 1.82 -1.83 -0.45 116.42 122.08 3i9e h ASP 17 Ca -0.39 -0.66 0.00 0.00 -0.39 0.00 0.00 57.03 55.59 3i9e h ASP 17 Cb 1.24 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.21 3i9e h ASP 17 CO 0.61 1.50 0.00 0.00 -1.61 0.00 0.00 179.24 179.74 3i9e n ALA 18 N -3.21 0.00 -1.26 -0.78 0.00 -1.25 -3.53 120.51 110.48 3i9e n ALA 18 Ca -0.29 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.66 3i9e n ALA 18 Cb 0.73 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.12 3i9e n ALA 18 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i9e n GLU 19 N 0.00 0.00 0.00 0.00 2.13 -1.24 -0.39 120.64 121.13 3i9e n GLU 19 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3i9e n GLU 19 Cb 0.00 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 30.46 3i9e n GLU 19 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i9e n GLY 20 N 1.27 1.59 3.74 8.31 0.00 0.14 -4.96 105.19 115.28 3i9e n GLY 20 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3i9e n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9e s LYS 21 N 0.00 2.84 0.00 1.61 -0.14 0.47 -4.40 119.74 120.12 3i9e s LYS 21 Ca 0.00 1.95 0.00 0.00 -1.36 0.00 0.00 55.97 56.56 3i9e s LYS 21 Cb 0.00 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 34.22 3i9e s LYS 21 CO 0.00 -1.35 0.00 2.41 -0.76 0.00 0.00 175.35 175.65 3i9e n THR 22 N -1.65 0.00 0.00 2.17 -1.04 -1.26 -0.95 114.28 111.56 3i9e n THR 22 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 3i9e n THR 22 Cb 0.49 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 3i9e n THR 22 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3i9e n LEU 23 N 0.00 0.00 0.01 -4.42 7.94 -1.26 -0.23 117.00 119.05 3i9e n LEU 23 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 3i9e n LEU 23 Cb 0.00 0.00 0.37 0.00 0.53 0.00 0.00 43.42 44.32 3i9e n LEU 23 CO 0.00 0.00 1.03 1.23 -1.11 0.00 0.00 177.39 178.54 3i9e h GLY 24 N 0.00 0.54 0.65 -3.96 0.00 -1.95 -0.81 103.07 97.53 3i9e h GLY 24 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3i9e h GLY 24 CO 0.00 0.25 -0.19 3.21 0.00 0.00 0.00 176.54 179.81 3i9e h ARG 25 N 0.50 -0.50 -1.01 4.80 2.47 -1.99 -3.09 114.38 115.56 3i9e h ARG 25 Ca 0.12 0.03 0.24 0.00 -1.26 0.00 0.00 59.98 59.12 3i9e h ARG 25 Cb 0.15 0.11 -0.12 0.00 -1.65 0.00 0.00 29.97 28.47 3i9e h ARG 25 CO -0.01 -0.19 0.60 1.25 0.56 0.00 0.00 179.97 182.18 3i9e h LEU 26 N -0.88 0.67 0.10 3.04 5.85 -1.80 -1.47 115.31 120.82 3i9e h LEU 26 Ca -0.05 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3i9e h LEU 26 Cb 0.55 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 3i9e h LEU 26 CO 0.09 0.11 -0.28 0.00 -0.34 0.00 0.00 178.44 178.02 3i9e h ALA 27 N 1.72 -0.46 -0.86 1.25 0.00 -1.09 -0.61 119.26 119.22 3i9e h ALA 27 Ca 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3i9e h ALA 27 Cb 1.23 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3i9e h ALA 27 CO -0.46 -0.81 0.00 2.41 0.00 0.00 0.00 179.25 180.39 3i9e n THR 28 N -5.39 0.00 0.00 0.00 -1.04 -0.56 0.67 114.28 107.97 3i9e n THR 28 Ca -0.06 1.30 0.00 0.00 -2.04 0.00 0.00 64.05 63.24 3i9e n THR 28 Cb 0.30 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 3i9e n THR 28 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i9e n LYS 29 N -2.37 0.00 -0.33 -2.82 4.76 -1.10 -0.95 118.16 115.35 3i9e n LYS 29 Ca 0.00 0.67 0.08 0.00 -2.87 0.00 0.00 58.31 56.19 3i9e n LYS 29 Cb 0.00 -1.08 0.18 0.00 -1.84 0.00 0.00 35.03 32.28 3i9e n LYS 29 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3i9e h ILE 30 N 0.00 0.07 -0.26 -0.18 2.04 -0.39 0.19 117.51 118.99 3i9e h ILE 30 Ca 0.00 -0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3i9e h ILE 30 Cb 0.00 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.09 3i9e h ILE 30 CO 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 178.15 178.12 3i9e h ALA 31 N 1.94 0.20 -0.57 1.87 0.00 0.21 -0.60 119.26 122.31 3i9e h ALA 31 Ca 0.49 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.56 3i9e h ALA 31 Cb 0.84 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3i9e h ALA 31 CO -0.93 -0.44 0.38 1.15 0.00 0.00 0.00 179.25 179.40 3i9e h THR 32 N 0.04 0.95 -0.19 0.00 2.02 0.36 -1.62 112.91 114.47 3i9e h THR 32 Ca 0.12 -0.16 -0.17 0.00 0.77 0.00 0.00 66.41 66.97 3i9e h THR 32 Cb 0.17 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3i9e h THR 32 CO -0.23 0.09 -0.55 -0.07 0.37 0.00 0.00 175.52 175.13 3i9e h LEU 33 N 0.47 0.81 -0.68 2.58 4.07 -0.66 -3.22 115.31 118.67 3i9e h LEU 33 Ca 0.25 -0.58 0.13 0.00 0.08 0.00 0.00 57.88 57.76 3i9e h LEU 33 Cb 0.39 -0.24 -0.09 0.00 1.08 0.00 0.00 40.66 41.80 3i9e h LEU 33 CO -0.07 1.25 0.22 -0.07 -1.08 0.00 0.00 178.44 178.69 3i9e h LEU 34 N 0.42 0.14 -8.44 1.67 -0.00 -0.16 -2.99 115.31 105.94 3i9e h LEU 34 Ca -0.01 0.11 -0.71 0.00 -0.00 0.00 0.00 57.88 57.27 3i9e h LEU 34 Cb 1.16 0.12 -0.23 0.00 -0.00 0.00 0.00 40.66 41.72 3i9e h LEU 34 CO 0.12 0.06 -0.49 0.00 -0.00 0.00 0.00 178.44 178.12 3i9e s ARG 35 N -6.06 2.95 0.00 1.13 1.70 -1.10 -3.59 118.95 113.98 3i9e s ARG 35 Ca -0.13 -1.01 -0.04 0.00 -0.47 0.00 0.00 55.73 54.09 3i9e s ARG 35 Cb 0.19 -3.79 -0.05 0.00 -0.57 0.00 0.00 34.95 30.73 3i9e s ARG 35 CO 0.75 -0.67 0.61 0.41 -1.08 0.00 0.00 175.30 175.32 3i9e n GLY 36 N 5.05 0.08 1.24 3.88 0.00 -1.25 -4.46 105.19 109.73 3i9e n GLY 36 Ca -0.12 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.90 3i9e n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9e n LYS 37 N 4.03 2.60 -0.02 1.61 5.02 -1.22 -3.68 118.16 126.49 3i9e n LYS 37 Ca 0.06 -2.44 0.02 0.00 -2.02 0.00 0.00 58.31 53.93 3i9e n LYS 37 Cb 0.25 -1.54 -0.09 0.00 -0.02 0.00 0.00 35.03 33.63 3i9e n LYS 37 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 3i9e n HIS 38 N 1.56 0.00 -2.41 2.13 1.44 -1.26 -4.92 115.22 111.76 3i9e n HIS 38 Ca 0.21 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.50 3i9e n HIS 38 Cb 0.62 -0.39 -0.02 0.00 0.12 0.00 0.00 29.99 30.32 3i9e n HIS 38 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3i9e s ARG 39 N -2.66 4.21 0.00 -1.40 0.52 -1.24 -4.87 118.95 113.50 3i9e s ARG 39 Ca -0.05 1.65 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 3i9e s ARG 39 Cb 0.06 -3.78 0.00 0.00 0.52 0.00 0.00 34.95 31.75 3i9e s ARG 39 CO 0.50 -0.74 0.64 -2.30 0.02 0.00 0.00 175.30 173.42 3i9e n PRO 40 N 6.68 0.00 -1.19 3.54 -0.02 -1.26 -0.02 135.00 142.73 3i9e n PRO 40 Ca 0.14 0.19 -0.14 0.00 -2.02 0.00 0.00 63.50 61.67 3i9e n PRO 40 Cb 0.45 -1.55 0.14 0.00 -0.02 0.00 0.00 33.50 32.52 3i9e n PRO 40 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3i9e n ASP 41 N -1.14 3.83 -4.62 2.55 5.75 -1.26 -5.04 116.55 116.62 3i9e n ASP 41 Ca 0.00 -3.78 -0.55 0.00 -0.01 0.00 0.00 54.79 50.45 3i9e n ASP 41 Cb 0.05 -0.63 -0.07 0.00 -1.03 0.00 0.00 41.12 39.44 3i9e n ASP 41 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3i9e n TRP 42 N -1.00 1.58 -3.73 2.11 -0.00 0.97 -4.68 117.44 112.68 3i9e n TRP 42 Ca 0.41 0.67 -0.25 0.00 -0.00 0.00 0.00 57.50 58.33 3i9e n TRP 42 Cb 0.99 -2.34 -0.17 0.00 -0.00 0.00 0.00 31.31 29.79 3i9e n TRP 42 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 3i9e s THR 43 N 1.36 0.37 0.02 5.87 -4.23 -1.26 -5.03 115.64 112.74 3i9e s THR 43 Ca 0.90 -0.20 -0.27 0.00 -1.18 0.00 0.00 61.69 60.94 3i9e s THR 43 Cb -1.04 -0.75 -0.16 0.00 1.34 0.00 0.00 72.50 71.89 3i9e s THR 43 CO 0.54 -0.02 1.23 1.55 -0.54 0.00 0.00 174.62 177.38 3i9e h PRO 44 N 8.31 -0.67 -0.31 3.99 0.13 -1.96 -2.91 132.00 138.58 3i9e h PRO 44 Ca -0.17 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3i9e h PRO 44 Cb 1.13 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3i9e h PRO 44 CO 0.29 -0.36 0.00 0.27 -0.23 0.00 0.00 178.00 177.97 3i9e n ASN 45 N -5.29 0.31 0.00 1.44 2.04 -1.26 -4.01 115.26 108.49 3i9e n ASN 45 Ca -0.11 -0.63 0.00 0.00 -0.44 0.00 0.00 54.58 53.40 3i9e n ASN 45 Cb 0.32 -0.15 0.00 0.00 -2.53 0.00 0.00 39.78 37.41 3i9e n ASN 45 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37 3i9e n VAL 46 N 0.33 0.00 -1.23 3.53 3.14 -1.22 -5.15 118.33 117.73 3i9e n VAL 46 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i9e n VAL 46 Cb 0.08 -0.24 0.00 0.00 -1.06 0.00 0.00 33.84 32.62 3i9e n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i9e n ALA 47 N -2.22 -2.61 -2.69 1.55 0.00 -1.10 -5.03 120.51 108.41 3i9e n ALA 47 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3i9e n ALA 47 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 3i9e n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9e n MET 48 N 0.17 1.74 -2.87 0.00 0.00 -1.26 -5.05 117.12 109.84 3i9e n MET 48 Ca 0.00 -3.52 -0.22 0.00 0.00 0.00 0.00 57.70 53.96 3i9e n MET 48 Cb 0.00 -1.55 0.02 0.00 0.00 0.00 0.00 33.22 31.69 3i9e n MET 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3i9e s GLY 49 N -3.50 1.66 0.17 3.17 0.00 -1.24 -4.41 107.32 103.17 3i9e s GLY 49 Ca 0.30 -1.15 -0.31 0.00 0.00 0.00 0.00 44.72 43.56 3i9e s GLY 49 CO -0.01 -0.95 1.36 0.99 0.00 0.00 0.00 173.10 174.49 3i9e s ASP 50 N -4.29 6.84 -0.64 1.64 1.01 -1.13 -4.69 116.67 115.41 3i9e s ASP 50 Ca 0.51 2.40 -0.27 0.00 0.71 0.00 0.00 52.55 55.91 3i9e s ASP 50 Cb -0.10 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.22 3i9e s ASP 50 CO 0.38 -0.60 1.73 -0.36 0.21 0.00 0.00 175.17 176.52 3i9e s PHE 51 N 0.52 1.81 0.30 4.23 0.40 -1.24 -4.47 117.98 119.53 3i9e s PHE 51 Ca 0.60 0.59 -0.20 0.00 -0.60 0.00 0.00 56.93 57.33 3i9e s PHE 51 Cb -0.37 -4.21 -0.09 0.00 0.51 0.00 0.00 43.02 38.85 3i9e s PHE 51 CO 0.35 -2.26 0.80 0.08 0.70 0.00 0.00 175.22 174.90 3i9e s VAL 52 N 8.29 4.50 -0.05 -0.44 1.01 -1.11 -2.38 120.40 130.22 3i9e s VAL 52 Ca 0.60 1.33 -0.00 0.00 0.00 0.00 0.00 61.98 63.90 3i9e s VAL 52 Cb -0.12 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.51 3i9e s VAL 52 CO 0.19 0.00 -0.01 -0.69 0.00 0.00 0.00 175.10 174.60 3i9e s VAL 53 N -1.77 0.34 -0.05 2.92 1.01 -1.04 -0.90 120.40 120.91 3i9e s VAL 53 Ca 0.50 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.60 3i9e s VAL 53 Cb -0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 3i9e s VAL 53 CO 0.19 0.22 -0.17 -0.69 0.00 0.00 0.00 175.10 174.66 3i9e s VAL 54 N 1.52 2.86 0.42 2.92 1.01 -0.87 0.12 120.40 128.39 3i9e s VAL 54 Ca -0.02 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3i9e s VAL 54 Cb -0.13 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.15 3i9e s VAL 54 CO -0.03 0.59 0.05 1.33 0.00 0.00 0.00 175.10 177.04 3i9e n VAL 55 N 2.36 0.00 -2.85 2.92 0.24 -0.18 -1.94 118.33 118.88 3i9e n VAL 55 Ca -0.17 -1.95 -0.10 0.00 -2.04 0.00 0.00 64.34 60.08 3i9e n VAL 55 Cb 0.52 0.32 -0.01 0.00 -1.47 0.00 0.00 33.84 33.19 3i9e n VAL 55 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3i9e n ASN 56 N -1.35 -1.92 -4.66 -1.34 5.03 1.06 -3.88 115.26 108.19 3i9e n ASN 56 Ca -0.15 0.12 -0.43 0.00 0.87 0.00 0.00 54.58 54.99 3i9e n ASN 56 Cb 0.53 -1.72 -0.02 0.00 -1.02 0.00 0.00 39.78 37.55 3i9e n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i9e s ALA 57 N -2.38 3.64 0.00 5.41 0.00 -0.37 -2.22 121.76 125.84 3i9e s ALA 57 Ca 0.15 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.71 3i9e s ALA 57 Cb -0.09 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3i9e s ALA 57 CO 0.19 -1.26 0.00 -0.40 0.00 0.00 0.00 175.76 174.29 3i9e n ASP 58 N 6.80 0.00 -2.29 0.00 5.75 -1.26 -3.49 116.55 122.06 3i9e n ASP 58 Ca 0.15 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.63 3i9e n ASP 58 Cb 0.44 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.57 3i9e n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3i9e n LYS 59 N 0.00 3.16 -3.25 0.11 4.76 -0.94 -4.98 118.16 117.02 3i9e n LYS 59 Ca 0.00 -3.82 -0.38 0.00 -2.87 0.00 0.00 58.31 51.23 3i9e n LYS 59 Cb 0.00 -2.28 -0.06 0.00 -1.84 0.00 0.00 35.03 30.85 3i9e n LYS 59 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3i9e s ILE 60 N -4.86 5.08 0.81 -0.18 -1.09 -1.26 0.27 121.20 119.96 3i9e s ILE 60 Ca 0.56 1.11 -0.12 0.00 -2.23 0.00 0.00 60.65 59.97 3i9e s ILE 60 Cb 0.45 -3.88 0.08 0.00 -1.58 0.00 0.00 42.46 37.52 3i9e s ILE 60 CO -0.06 0.36 1.12 -0.13 -1.23 0.00 0.00 174.94 174.99 3i9e s ARG 61 N 0.32 2.00 -0.29 2.79 3.00 0.68 -4.93 118.95 122.52 3i9e s ARG 61 Ca 0.29 0.44 0.02 0.00 0.00 0.00 0.00 55.73 56.49 3i9e s ARG 61 Cb -0.16 -1.92 0.16 0.00 0.00 0.00 0.00 34.95 33.02 3i9e s ARG 61 CO 0.14 -1.64 0.43 0.08 0.00 0.00 0.00 175.30 174.31 3i9e s VAL 62 N -3.29 -0.68 0.47 3.52 1.01 -1.26 -4.08 120.40 116.10 3i9e s VAL 62 Ca 0.61 -0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.11 3i9e s VAL 62 Cb -0.13 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.18 3i9e s VAL 62 CO 0.53 -0.24 1.12 1.07 0.00 0.00 0.00 175.10 177.58 3i9e n THR 63 N 5.36 2.88 -4.29 3.92 5.66 -1.26 -4.76 114.28 121.79 3i9e n THR 63 Ca 0.01 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 3i9e n THR 63 Cb 0.50 -1.34 0.00 0.00 -1.55 0.00 0.00 70.33 67.94 3i9e n THR 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i9e n GLY 64 N 1.04 -0.64 0.63 1.09 0.00 -1.26 -4.00 105.19 102.05 3i9e n GLY 64 Ca 0.09 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 45.10 3i9e n GLY 64 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i9e n LYS 65 N 0.00 1.83 -0.21 1.61 2.85 -1.26 -4.54 118.16 118.44 3i9e n LYS 65 Ca 0.00 -1.24 0.09 0.00 -1.05 0.00 0.00 58.31 56.11 3i9e n LYS 65 Cb 0.00 -1.43 0.18 0.00 -0.65 0.00 0.00 35.03 33.13 3i9e n LYS 65 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3i9e n LYS 66 N 0.47 -0.05 -0.32 -1.58 5.02 -1.26 -0.41 118.16 120.05 3i9e n LYS 66 Ca 0.17 0.92 0.12 0.00 -2.02 0.00 0.00 58.31 57.50 3i9e n LYS 66 Cb 0.38 -1.47 0.24 0.00 -0.02 0.00 0.00 35.03 34.17 3i9e n LYS 66 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i9e n LEU 67 N -4.79 -0.14 -0.11 -0.35 4.77 -1.26 -2.25 117.00 112.86 3i9e n LEU 67 Ca 0.14 1.54 -0.24 0.00 -0.03 0.00 0.00 56.01 57.42 3i9e n LEU 67 Cb 0.47 -0.55 -0.11 0.00 -2.33 0.00 0.00 43.42 40.91 3i9e n LEU 67 CO -0.05 -1.55 -0.87 -0.62 -1.33 0.00 0.00 177.39 172.98 3i9e n GLU 68 N -5.35 0.58 -3.11 3.23 1.02 0.45 -0.73 120.64 116.74 3i9e n GLU 68 Ca 0.20 0.45 -0.43 0.00 -0.02 0.00 0.00 57.16 57.36 3i9e n GLU 68 Cb 0.66 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 3i9e n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i9e n GLN 69 N -4.30 4.18 -3.15 3.49 10.64 -0.97 -4.67 117.38 122.60 3i9e n GLN 69 Ca -0.40 -4.54 0.04 0.00 -1.83 0.00 0.00 57.00 50.27 3i9e n GLN 69 Cb 0.78 -2.51 -0.01 0.00 -0.86 0.00 0.00 30.24 27.64 3i9e n GLN 69 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 3i9e s LYS 70 N -2.42 0.56 -0.11 2.61 2.20 -0.96 -4.53 119.74 117.10 3i9e s LYS 70 Ca 0.31 0.88 -0.00 0.00 -0.36 0.00 0.00 55.97 56.80 3i9e s LYS 70 Cb 0.01 0.47 -0.02 0.00 -1.51 0.00 0.00 37.83 36.78 3i9e s LYS 70 CO 0.06 -0.74 -0.09 0.42 -0.36 0.00 0.00 175.35 174.64 3i9e s ILE 71 N 2.85 3.46 -0.06 5.43 -1.09 -1.26 -0.86 121.20 129.67 3i9e s ILE 71 Ca 0.18 -0.54 -0.11 0.00 -2.23 0.00 0.00 60.65 57.95 3i9e s ILE 71 Cb -0.14 -2.45 -0.05 0.00 -1.58 0.00 0.00 42.46 38.25 3i9e s ILE 71 CO -0.22 0.55 0.29 -0.31 -1.23 0.00 0.00 174.94 174.01 3i9e s TYR 72 N -0.16 3.66 0.11 3.97 2.02 0.49 -4.87 117.35 122.58 3i9e s TYR 72 Ca 0.01 0.77 0.10 0.00 -0.37 0.00 0.00 57.07 57.58 3i9e s TYR 72 Cb -0.13 -2.15 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 3i9e s TYR 72 CO 0.03 0.66 -0.24 0.95 -1.57 0.00 0.00 175.55 175.38 3i9e s THR 73 N -0.96 2.44 -0.30 -0.71 -4.23 -1.26 -0.23 115.64 110.39 3i9e s THR 73 Ca 0.20 -1.62 -0.02 0.00 -1.18 0.00 0.00 61.69 59.07 3i9e s THR 73 Cb -0.14 -2.07 0.12 0.00 1.34 0.00 0.00 72.50 71.74 3i9e s THR 73 CO 0.09 0.14 0.22 -0.13 -0.54 0.00 0.00 174.62 174.39 3i9e s ARG 74 N -1.96 0.31 -0.35 3.99 0.52 -0.34 -4.94 118.95 116.18 3i9e s ARG 74 Ca 0.15 -0.48 -0.28 0.00 -0.52 0.00 0.00 55.73 54.59 3i9e s ARG 74 Cb -0.10 -0.95 0.02 0.00 0.52 0.00 0.00 34.95 34.44 3i9e s ARG 74 CO 0.07 -1.06 1.05 -0.47 0.02 0.00 0.00 175.30 174.92 3i9e s TYR 75 N 2.05 3.08 0.00 -0.53 5.04 -1.26 -2.11 117.35 123.63 3i9e s TYR 75 Ca 0.11 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 55.77 3i9e s TYR 75 Cb -0.16 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 38.35 3i9e s TYR 75 CO -0.29 -0.86 0.00 -1.13 -1.34 0.00 0.00 175.55 171.93 3i9e n SER 76 N 7.00 0.00 -0.00 4.32 3.41 -0.95 -4.90 113.62 122.50 3i9e n SER 76 Ca 0.11 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.77 3i9e n SER 76 Cb 0.48 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 3i9e n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9e n GLY 77 N 2.01 -0.14 3.88 5.00 0.00 -1.26 -4.86 105.19 109.82 3i9e n GLY 77 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 3i9e n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i9e s TYR 78 N -2.21 3.55 -0.06 1.61 1.51 -1.26 -4.95 117.35 115.54 3i9e s TYR 78 Ca 0.02 1.15 -0.29 0.00 -1.01 0.00 0.00 57.07 56.93 3i9e s TYR 78 Cb 0.08 -2.57 -0.07 0.00 -0.11 0.00 0.00 41.96 39.29 3i9e s TYR 78 CO 0.44 -0.41 2.03 -2.14 -1.11 0.00 0.00 175.55 174.37 3i9e s PRO 79 N -4.60 3.79 -0.09 -1.71 0.02 -1.26 0.14 135.00 131.29 3i9e s PRO 79 Ca 0.53 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.92 3i9e s PRO 79 Cb -0.10 -4.23 0.00 0.00 0.02 0.00 0.00 34.50 30.19 3i9e s PRO 79 CO 0.43 -1.36 0.00 0.41 -0.33 0.00 0.00 177.00 176.15 3i9e n GLY 80 N 4.95 0.46 0.00 0.52 0.00 -1.26 -4.90 105.19 104.96 3i9e n GLY 80 Ca 0.23 -0.83 0.09 0.00 0.00 0.00 0.00 46.02 45.51 3i9e n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9e n GLY 81 N -2.85 -1.02 3.76 -0.02 0.00 0.12 -4.84 105.19 100.34 3i9e n GLY 81 Ca -0.01 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3i9e n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i9e n LEU 82 N -1.39 4.75 -3.83 0.99 7.94 -1.26 -2.24 117.00 121.97 3i9e n LEU 82 Ca 0.07 1.19 -0.22 0.00 -1.11 0.00 0.00 56.01 55.94 3i9e n LEU 82 Cb 0.18 -1.60 -0.17 0.00 0.53 0.00 0.00 43.42 42.36 3i9e n LEU 82 CO 0.16 -0.00 -0.40 -0.54 -1.11 0.00 0.00 177.39 175.50 3i9e s LYS 83 N -2.18 0.75 -0.24 1.96 1.02 -0.90 -4.93 119.74 115.21 3i9e s LYS 83 Ca 0.56 0.00 -0.08 0.00 0.02 0.00 0.00 55.97 56.47 3i9e s LYS 83 Cb -0.48 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.85 3i9e s LYS 83 CO 0.62 -0.21 0.10 0.15 -0.92 0.00 0.00 175.35 175.09 3i9e s LYS 84 N 1.53 3.80 -0.16 1.68 1.02 -1.26 -1.20 119.74 125.15 3i9e s LYS 84 Ca -0.02 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 55.58 3i9e s LYS 84 Cb -0.13 -3.40 0.02 0.00 -0.52 0.00 0.00 37.83 33.80 3i9e s LYS 84 CO -0.03 -0.10 -0.17 0.42 -0.92 0.00 0.00 175.35 174.55 3i9e s ILE 85 N 1.42 1.80 0.24 2.17 1.01 0.68 -4.94 121.20 123.57 3i9e s ILE 85 Ca 0.06 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.63 3i9e s ILE 85 Cb -0.15 -1.65 -0.09 0.00 0.01 0.00 0.00 42.46 40.59 3i9e s ILE 85 CO 0.05 0.50 1.14 -2.16 0.00 0.00 0.00 174.94 174.47 3i9e s PRO 86 N 1.33 4.57 0.28 2.79 0.04 -1.26 -0.38 135.00 142.36 3i9e s PRO 86 Ca 0.03 1.84 -0.06 0.00 0.04 0.00 0.00 61.00 62.86 3i9e s PRO 86 Cb -0.13 -3.21 0.50 0.00 0.04 0.00 0.00 34.50 31.70 3i9e s PRO 86 CO -0.10 0.07 1.51 -0.11 0.04 0.00 0.00 177.00 178.40 3i9e n LEU 87 N 1.78 -0.30 -0.03 -3.56 0.00 -0.04 -0.65 117.00 114.20 3i9e n LEU 87 Ca 0.01 1.66 -0.14 0.00 0.00 0.00 0.00 56.01 57.54 3i9e n LEU 87 Cb 0.45 -0.52 -0.09 0.00 0.00 0.00 0.00 43.42 43.25 3i9e n LEU 87 CO 0.55 -1.61 0.50 -0.33 0.00 0.00 0.00 177.39 176.51 3i9e h GLU 88 N 0.00 -0.50 -0.00 1.96 5.08 -1.23 0.42 114.58 120.31 3i9e h GLU 88 Ca 0.49 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.90 3i9e h GLU 88 Cb 0.80 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.11 3i9e h GLU 88 CO -0.98 -0.34 -0.53 -0.22 -1.00 0.00 0.00 179.01 175.94 3i9e h LYS 89 N -0.52 -0.65 0.00 2.33 1.63 -1.18 0.23 116.57 118.41 3i9e h LYS 89 Ca 0.04 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 3i9e h LYS 89 Cb 0.63 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 3i9e h LYS 89 CO -0.43 -0.43 0.00 -0.12 -3.45 0.00 0.00 179.45 175.02 3i9e n MET 90 N -5.46 0.00 -0.38 1.90 1.56 -0.75 0.39 117.12 114.39 3i9e n MET 90 Ca -0.07 0.77 -0.02 0.00 -0.27 0.00 0.00 57.70 58.11 3i9e n MET 90 Cb 0.40 -1.41 0.03 0.00 2.15 0.00 0.00 33.22 34.38 3i9e n MET 90 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 3i9e n LEU 91 N -2.39 -0.67 -0.28 -0.89 0.00 0.10 0.23 117.00 113.10 3i9e n LEU 91 Ca 0.00 1.69 0.04 0.00 0.00 0.00 0.00 56.01 57.73 3i9e n LEU 91 Cb 0.00 -0.37 0.25 0.00 0.00 0.00 0.00 43.42 43.30 3i9e n LEU 91 CO 0.00 -1.50 1.25 0.00 0.00 0.00 0.00 177.39 177.14 3i9e h ALA 92 N 1.24 1.52 0.00 1.96 0.00 0.49 -2.35 119.26 122.12 3i9e h ALA 92 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3i9e h ALA 92 Cb 0.56 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i9e h ALA 92 CO -0.95 0.36 -0.60 -2.37 0.00 0.00 0.00 179.25 175.69 3i9e n THR 93 N -4.47 0.00 -2.80 0.00 5.66 0.16 -4.81 114.28 108.02 3i9e n THR 93 Ca 0.13 -0.24 -0.06 0.00 -3.05 0.00 0.00 64.05 60.82 3i9e n THR 93 Cb 0.17 0.94 0.01 0.00 -1.55 0.00 0.00 70.33 69.91 3i9e n THR 93 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3i9e n HIS 94 N -1.31 -3.53 0.00 1.09 8.25 0.62 -5.04 115.22 115.30 3i9e n HIS 94 Ca 0.02 -1.59 0.00 0.00 -0.26 0.00 0.00 57.72 55.89 3i9e n HIS 94 Cb 0.18 1.42 0.00 0.00 1.12 0.00 0.00 29.99 32.71 3i9e n HIS 94 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3i9e n PRO 95 N 2.60 2.71 0.00 -0.41 -0.02 -0.89 -4.06 135.00 134.93 3i9e n PRO 95 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3i9e n PRO 95 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 3i9e n PRO 95 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3i9e n GLU 96 N 0.00 0.00 0.00 -0.52 0.00 -1.26 -3.47 120.64 115.39 3i9e n GLU 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3i9e n GLU 96 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3i9e n GLU 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3i9e n ARG 97 N 0.00 0.00 -0.02 3.44 0.63 -1.26 0.35 116.66 119.80 3i9e n ARG 97 Ca 0.00 0.00 0.24 0.00 -0.92 0.00 0.00 57.85 57.17 3i9e n ARG 97 Cb 0.00 0.00 0.70 0.00 0.45 0.00 0.00 32.46 33.61 3i9e n ARG 97 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 3i9e h VAL 98 N 0.00 0.34 0.00 5.15 3.04 -1.72 0.69 116.25 123.75 3i9e h VAL 98 Ca 0.00 0.00 -0.36 0.00 -1.01 0.00 0.00 66.70 65.33 3i9e h VAL 98 Cb 0.00 0.52 -0.06 0.00 -2.01 0.00 0.00 31.29 29.74 3i9e h VAL 98 CO 0.00 0.00 -2.30 -0.11 -1.01 0.00 0.00 177.57 174.15 3i9e n LEU 99 N -3.75 2.45 -0.22 3.16 -0.00 1.10 -3.53 117.00 116.22 3i9e n LEU 99 Ca 0.13 0.05 -0.04 0.00 -0.00 0.00 0.00 56.01 56.14 3i9e n LEU 99 Cb 0.85 -0.75 0.02 0.00 -0.00 0.00 0.00 43.42 43.54 3i9e n LEU 99 CO 0.29 0.72 0.64 -0.08 -0.00 0.00 0.00 177.39 178.96 3i9e h GLU 100 N -0.35 -0.13 0.49 1.96 4.81 -1.17 -0.69 114.58 119.49 3i9e h GLU 100 Ca -0.55 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 3i9e h GLU 100 Cb 1.68 0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.09 3i9e h GLU 100 CO -0.20 -0.09 -0.24 1.25 -0.73 0.00 0.00 179.01 179.01 3i9e h HIS 101 N -0.14 -0.61 -1.13 0.92 2.76 0.15 -2.34 115.15 114.76 3i9e h HIS 101 Ca 0.25 -0.01 0.33 0.00 -2.20 0.00 0.00 60.37 58.73 3i9e h HIS 101 Cb 0.55 0.20 -0.05 0.00 1.55 0.00 0.00 27.41 29.67 3i9e h HIS 101 CO -0.64 -0.37 1.04 0.00 -1.30 0.00 0.00 177.93 176.66 3i9e h ALA 102 N -0.18 3.01 -0.18 5.26 0.00 -1.22 -2.16 119.26 123.79 3i9e h ALA 102 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3i9e h ALA 102 Cb 0.52 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3i9e h ALA 102 CO 0.11 -1.63 0.00 0.28 0.00 0.00 0.00 179.25 178.01 3i9e n VAL 103 N -3.64 0.00 -0.15 0.00 0.31 -0.50 -4.21 118.33 110.14 3i9e n VAL 103 Ca 0.25 0.47 0.08 0.00 -0.01 0.00 0.00 64.34 65.13 3i9e n VAL 103 Cb 1.40 -1.42 0.16 0.00 -0.91 0.00 0.00 33.84 33.07 3i9e n VAL 103 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3i9e n LYS 104 N -2.00 -0.03 0.00 5.55 4.81 -0.86 0.27 118.16 125.89 3i9e n LYS 104 Ca 0.00 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 3i9e n LYS 104 Cb 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 33.97 3i9e n LYS 104 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i9e n GLY 105 N -1.20 1.66 0.00 3.14 0.00 -0.94 -2.59 105.19 105.25 3i9e n GLY 105 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3i9e n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i9e n MET 106 N 0.39 2.80 -3.18 1.61 2.81 0.75 -5.03 117.12 117.27 3i9e n MET 106 Ca 0.00 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.50 3i9e n MET 106 Cb 0.38 -0.29 -0.05 0.00 -0.71 0.00 0.00 33.22 32.55 3i9e n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3i9e s LEU 107 N -0.32 4.40 0.39 4.03 1.43 -1.07 -5.00 118.68 122.53 3i9e s LEU 107 Ca 0.00 1.16 -0.26 0.00 -1.03 0.00 0.00 54.13 54.00 3i9e s LEU 107 Cb 0.00 -2.95 -0.11 0.00 0.03 0.00 0.00 46.19 43.16 3i9e s LEU 107 CO 0.00 0.06 1.14 -0.81 0.23 0.00 0.00 176.35 176.98 3i9e n PRO 108 N 2.93 1.68 -2.48 1.29 -0.04 -1.26 -4.92 135.00 132.19 3i9e n PRO 108 Ca -0.06 0.60 -0.41 0.00 -0.04 0.00 0.00 63.50 63.59 3i9e n PRO 108 Cb 0.51 -2.17 -0.04 0.00 -0.04 0.00 0.00 33.50 31.76 3i9e n PRO 108 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3i9e s LYS 109 N -1.98 4.58 0.00 0.54 0.00 -1.26 -3.92 119.74 117.69 3i9e s LYS 109 Ca 0.60 1.76 0.00 0.00 0.00 0.00 0.00 55.97 58.33 3i9e s LYS 109 Cb -0.56 -3.26 0.00 0.00 0.00 0.00 0.00 37.83 34.01 3i9e s LYS 109 CO 0.59 0.06 0.00 0.41 0.00 0.00 0.00 175.35 176.40 3i9e n GLY 110 N 1.98 2.89 0.29 0.59 0.00 -1.26 -4.79 105.19 104.88 3i9e n GLY 110 Ca 0.03 -1.20 -0.01 0.00 0.00 0.00 0.00 46.02 44.84 3i9e n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i9e h PRO 111 N 0.00 -0.06 -0.01 1.61 0.11 -1.93 -0.57 132.00 131.16 3i9e h PRO 111 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.96 3i9e h PRO 111 Cb 0.00 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 3i9e h PRO 111 CO 0.00 -0.04 -0.73 1.25 -0.21 0.00 0.00 178.00 178.28 3i9e h LEU 112 N -0.06 0.06 -0.53 2.35 6.46 -1.94 -3.00 115.31 118.66 3i9e h LEU 112 Ca 0.30 -0.04 0.02 0.00 -0.12 0.00 0.00 57.88 58.03 3i9e h LEU 112 Cb 0.52 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 3i9e h LEU 112 CO -0.70 0.76 0.33 1.23 -0.62 0.00 0.00 178.44 179.44 3i9e h GLY 113 N 2.04 0.75 -0.84 3.75 0.00 -1.30 -2.75 103.07 104.71 3i9e h GLY 113 Ca -0.01 -0.26 -0.44 0.00 0.00 0.00 0.00 47.33 46.63 3i9e h GLY 113 CO 0.10 0.23 0.26 0.50 0.00 0.00 0.00 176.54 177.63 3i9e s ARG 114 N -6.15 -0.02 0.00 4.80 0.52 -0.36 -2.22 118.95 115.52 3i9e s ARG 114 Ca -0.13 -0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 3i9e s ARG 114 Cb 0.13 -1.73 0.00 0.00 0.52 0.00 0.00 34.95 33.86 3i9e s ARG 114 CO 0.74 -2.92 0.00 -2.13 0.02 0.00 0.00 175.30 171.01 3i9e n ARG 115 N -4.20 0.00 0.06 3.54 0.63 -1.26 -4.21 116.66 111.22 3i9e n ARG 115 Ca 0.12 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.99 3i9e n ARG 115 Cb 0.59 -0.32 -0.09 0.00 0.45 0.00 0.00 32.46 33.09 3i9e n ARG 115 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3i9e h LEU 116 N 0.00 0.00 -0.38 6.15 3.38 -1.12 -2.66 115.31 120.68 3i9e h LEU 116 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3i9e h LEU 116 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i9e h LEU 116 CO 0.00 0.89 -0.62 0.15 0.09 0.00 0.00 178.44 178.95 3i9e h PHE 117 N 0.00 0.83 -0.02 1.13 3.57 -1.62 -3.09 116.94 117.75 3i9e h PHE 117 Ca -0.05 -0.32 0.03 0.00 3.53 0.00 0.00 57.97 61.16 3i9e h PHE 117 Cb 1.72 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.28 3i9e h PHE 117 CO 0.00 1.10 -0.17 0.87 -2.23 0.00 0.00 178.31 177.87 3i9e h LYS 118 N 0.48 -0.26 -1.69 1.11 1.57 -1.85 -2.54 116.57 113.37 3i9e h LYS 118 Ca -0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3i9e h LYS 118 Cb 1.20 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3i9e h LYS 118 CO 0.12 -0.18 0.00 0.54 -0.57 0.00 0.00 179.45 179.37 3i9e n ARG 119 N -5.31 0.00 -4.04 3.15 1.74 -1.01 -4.41 116.66 106.79 3i9e n ARG 119 Ca -0.05 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.82 3i9e n ARG 119 Cb 0.22 -1.31 -0.17 0.00 -1.02 0.00 0.00 32.46 30.18 3i9e n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3i9e s LEU 120 N 0.00 1.11 -0.30 0.55 1.98 -0.96 -2.75 118.68 118.32 3i9e s LEU 120 Ca 0.00 -0.13 0.01 0.00 -2.89 0.00 0.00 54.13 51.12 3i9e s LEU 120 Cb 0.00 -0.47 0.06 0.00 0.66 0.00 0.00 46.19 46.44 3i9e s LEU 120 CO 0.00 -0.10 -0.02 -0.54 -1.89 0.00 0.00 176.35 173.80 3i9e s LYS 121 N 1.26 2.22 -0.14 1.98 -0.14 -0.08 -5.01 119.74 119.82 3i9e s LYS 121 Ca -0.06 -1.41 -0.03 0.00 -1.36 0.00 0.00 55.97 53.11 3i9e s LYS 121 Cb -0.14 -3.11 -0.03 0.00 -1.68 0.00 0.00 37.83 32.88 3i9e s LYS 121 CO -0.02 -0.67 -0.04 0.08 -0.76 0.00 0.00 175.35 173.94 3i9e s VAL 122 N 1.15 3.91 0.15 3.17 1.01 -1.26 -2.04 120.40 126.49 3i9e s VAL 122 Ca -0.04 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.64 3i9e s VAL 122 Cb -0.20 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3i9e s VAL 122 CO -0.04 0.51 -0.13 -0.31 0.00 0.00 0.00 175.10 175.14 3i9e s TYR 123 N 0.13 1.47 0.33 5.22 1.51 -0.82 -4.98 117.35 120.20 3i9e s TYR 123 Ca -0.01 -0.61 -0.09 0.00 -1.01 0.00 0.00 57.07 55.35 3i9e s TYR 123 Cb -0.14 -0.73 -0.06 0.00 -0.11 0.00 0.00 41.96 40.92 3i9e s TYR 123 CO 0.03 0.20 0.65 0.00 -1.11 0.00 0.00 175.55 175.32 3i9e s ALA 124 N -2.66 3.48 0.00 3.71 0.00 -1.26 -1.24 121.76 123.79 3i9e s ALA 124 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3i9e s ALA 124 Cb -0.02 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.57 3i9e s ALA 124 CO 0.04 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.41 3i9e n GLY 125 N -0.88 0.35 0.00 0.00 0.00 -1.23 -4.39 105.19 99.05 3i9e n GLY 125 Ca 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3i9e n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i9e n PRO 126 N -0.32 1.19 -1.36 1.61 -0.04 -1.26 0.34 135.00 135.16 3i9e n PRO 126 Ca 0.00 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.62 3i9e n PRO 126 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 3i9e n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3i9e n ASP 127 N -0.42 -7.49 0.00 3.54 9.92 -1.26 -4.73 116.55 116.11 3i9e n ASP 127 Ca 0.00 1.08 0.00 0.00 -0.53 0.00 0.00 54.79 55.34 3i9e n ASP 127 Cb 0.00 -4.49 0.00 0.00 -0.64 0.00 0.00 41.12 35.99 3i9e n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i9e n HIS 128 N -4.13 0.00 -2.53 1.24 1.44 -1.26 -4.88 115.22 105.10 3i9e n HIS 128 Ca -0.06 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.24 3i9e n HIS 128 Cb 0.65 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.73 3i9e n HIS 128 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 3i9e s PRO 129 N -0.39 3.40 0.00 -1.40 0.02 -1.26 -4.88 135.00 130.49 3i9e s PRO 129 Ca 0.00 0.21 0.00 0.00 0.02 0.00 0.00 61.00 61.23 3i9e s PRO 129 Cb 0.00 -4.07 0.00 0.00 0.02 0.00 0.00 34.50 30.45 3i9e s PRO 129 CO 0.00 -1.83 0.49 0.72 -0.33 0.00 0.00 177.00 176.05 3i9e n HIS 130 N 8.91 0.00 0.00 6.54 8.25 -1.26 -4.68 115.22 132.98 3i9e n HIS 130 Ca 0.08 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3i9e n HIS 130 Cb 0.49 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.30 3i9e n HIS 130 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3i9e n GLN 131 N 1.78 0.00 0.00 -0.41 0.00 -1.26 -4.91 117.38 112.59 3i9e n GLN 131 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3i9e n GLN 131 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.37 3i9e n GLN 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3i9e n ALA 132 N -3.00 0.00 -1.00 1.69 0.00 -1.26 -5.06 120.51 111.88 3i9e n ALA 132 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i9e n ALA 132 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i9e n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9e n GLN 133 N 0.00 3.07 0.00 0.00 10.64 -1.26 -5.04 117.38 124.80 3i9e n GLN 133 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3i9e n GLN 133 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3i9e n GLN 133 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 3i9e n ARG 134 N 0.00 0.00 -1.42 2.61 1.85 -1.23 -5.01 116.66 113.47 3i9e n ARG 134 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 3i9e n ARG 134 Cb 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.29 3i9e n ARG 134 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3i9e n PRO 135 N 0.00 0.16 -1.34 2.89 -0.02 -1.18 -4.15 135.00 131.35 3i9e n PRO 135 Ca 0.00 -0.48 -0.35 0.00 -2.02 0.00 0.00 63.50 60.65 3i9e n PRO 135 Cb 0.00 -2.15 0.10 0.00 -0.02 0.00 0.00 33.50 31.43 3i9e n PRO 135 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3i9e n GLU 136 N 6.54 0.54 -3.94 -0.52 0.28 -1.26 -3.87 120.64 118.41 3i9e n GLU 136 Ca 0.43 0.25 -0.09 0.00 -0.16 0.00 0.00 57.16 57.59 3i9e n GLU 136 Cb 0.35 -2.46 -0.03 0.00 1.43 0.00 0.00 31.44 30.73 3i9e n GLU 136 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3i9e s LYS 137 N -3.80 1.81 0.00 3.44 2.47 -0.87 -4.89 119.74 117.91 3i9e s LYS 137 Ca 0.77 -1.30 0.02 0.00 -1.56 0.00 0.00 55.97 53.89 3i9e s LYS 137 Cb -0.33 0.53 0.11 0.00 -1.46 0.00 0.00 37.83 36.69 3i9e s LYS 137 CO 0.47 -0.80 0.60 -0.11 0.16 0.00 0.00 175.35 175.67