#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ran n GLY 5 N 0.00 2.67 3.78 1.69 0.00 -1.26 -5.04 105.19 107.03 3ran n GLY 5 Ca 0.00 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 3ran n GLY 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ran s GLU 6 N -0.96 4.22 0.25 1.61 2.02 -1.26 -5.01 118.70 119.58 3ran s GLU 6 Ca 0.08 1.62 -0.30 0.00 0.02 0.00 0.00 54.97 56.39 3ran s GLU 6 Cb 0.04 -2.67 -0.09 0.00 0.10 0.00 0.00 34.13 31.51 3ran s GLU 6 CO 0.05 -0.12 1.07 -1.25 0.02 0.00 0.00 175.26 175.04 3ran s PRO 7 N -2.28 4.67 0.04 0.39 0.05 -1.26 -5.04 135.00 131.56 3ran s PRO 7 Ca 0.56 1.74 -0.19 0.00 0.05 0.00 0.00 61.00 63.16 3ran s PRO 7 Cb -0.25 -3.22 -0.06 0.00 0.05 0.00 0.00 34.50 31.01 3ran s PRO 7 CO 0.32 0.23 0.54 -0.65 0.05 0.00 0.00 177.00 177.49 3ran s GLN 8 N -1.20 4.17 -0.61 4.56 -0.21 -1.26 -5.03 119.66 120.09 3ran s GLN 8 Ca 0.45 0.67 -0.28 0.00 0.02 0.00 0.00 55.36 56.22 3ran s GLN 8 Cb -0.31 -3.26 0.03 0.00 1.00 0.00 0.00 33.01 30.48 3ran s GLN 8 CO 0.38 0.59 1.23 0.08 -2.12 0.00 0.00 175.29 175.46 3ran s VAL 9 N -0.92 3.93 0.01 1.09 1.01 -1.26 -5.01 120.40 119.25 3ran s VAL 9 Ca 0.28 0.78 0.01 0.00 0.00 0.00 0.00 61.98 63.05 3ran s VAL 9 Cb -0.19 -4.74 -0.01 0.00 0.00 0.00 0.00 36.38 31.45 3ran s VAL 9 CO 0.17 -1.43 -0.03 0.00 0.00 0.00 0.00 175.10 173.82 3ran s GLN 10 N 5.17 0.23 -0.04 2.72 -2.07 -1.26 -1.51 119.66 122.90 3ran s GLN 10 Ca 0.42 -0.23 0.03 0.00 -1.82 0.00 0.00 55.36 53.77 3ran s GLN 10 Cb -0.08 -0.14 0.00 0.00 -1.09 0.00 0.00 33.01 31.70 3ran s GLN 10 CO 0.23 0.03 -0.14 -0.06 -1.32 0.00 0.00 175.29 174.04 3ran s PHE 11 N -0.40 1.43 -0.11 9.60 0.08 -0.35 -4.96 117.98 123.27 3ran s PHE 11 Ca -0.03 -0.42 -0.30 0.00 0.12 0.00 0.00 56.93 56.31 3ran s PHE 11 Cb -0.03 -0.99 -0.01 0.00 -0.57 0.00 0.00 43.02 41.42 3ran s PHE 11 CO -0.00 -0.16 1.02 0.21 -0.10 0.00 0.00 175.22 176.18 3ran s LYS 12 N 0.19 4.41 -0.16 0.44 2.20 -1.26 -1.63 119.74 123.93 3ran s LYS 12 Ca -0.05 1.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.96 3ran s LYS 12 Cb -0.11 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 3ran s LYS 12 CO 0.02 -0.35 -0.16 -1.17 -0.36 0.00 0.00 175.35 173.33 3ran s LEU 13 N 2.12 2.39 -0.18 5.43 0.20 -0.43 -1.93 118.68 126.28 3ran s LEU 13 Ca 0.48 -0.51 -0.12 0.00 0.69 0.00 0.00 54.13 54.67 3ran s LEU 13 Cb -0.18 -1.54 -0.05 0.00 -0.43 0.00 0.00 46.19 43.99 3ran s LEU 13 CO 0.17 0.06 0.22 0.68 -0.29 0.00 0.00 176.35 177.19 3ran s VAL 14 N 0.93 5.35 -0.34 1.68 -7.23 -1.03 -1.51 120.40 118.25 3ran s VAL 14 Ca -0.03 0.37 -0.09 0.00 -1.81 0.00 0.00 61.98 60.42 3ran s VAL 14 Cb -0.15 -3.56 0.02 0.00 0.56 0.00 0.00 36.38 33.25 3ran s VAL 14 CO -0.02 0.40 0.16 -0.22 -0.31 0.00 0.00 175.10 175.10 3ran s LEU 15 N 0.49 4.34 0.17 1.32 0.20 -1.18 -1.93 118.68 122.09 3ran s LEU 15 Ca 0.12 -0.83 0.03 0.00 0.69 0.00 0.00 54.13 54.15 3ran s LEU 15 Cb -0.12 -1.97 -0.05 0.00 -0.43 0.00 0.00 46.19 43.62 3ran s LEU 15 CO 0.01 -0.29 -0.05 0.68 -0.29 0.00 0.00 176.35 176.42 3ran s VAL 16 N 1.54 0.96 0.00 1.68 -7.23 -0.86 -4.60 120.40 111.89 3ran s VAL 16 Ca 0.02 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 3ran s VAL 16 Cb -0.18 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.72 3ran s VAL 16 CO 0.05 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 174.88 3ran n GLY 17 N -0.25 2.81 3.52 2.32 0.00 -1.26 -1.33 105.19 110.99 3ran n GLY 17 Ca -0.08 -1.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 3ran n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ran n ASP 18 N 0.00 -0.60 -4.77 1.61 9.92 -1.26 -4.94 116.55 116.52 3ran n ASP 18 Ca 0.00 0.63 -0.38 0.00 -0.53 0.00 0.00 54.79 54.51 3ran n ASP 18 Cb 0.00 -1.28 -0.00 0.00 -0.64 0.00 0.00 41.12 39.20 3ran n ASP 18 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3ran s GLY 19 N -1.50 2.87 0.00 0.44 0.00 -1.26 -2.83 107.32 105.04 3ran s GLY 19 Ca 0.68 1.12 0.00 0.00 0.00 0.00 0.00 44.72 46.53 3ran s GLY 19 CO 0.55 1.65 0.00 0.61 0.00 0.00 0.00 173.10 175.91 3ran n GLY 20 N 0.61 0.77 0.06 0.20 0.00 -1.26 -4.94 105.19 100.63 3ran n GLY 20 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3ran n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ran n THR 21 N -2.35 0.34 0.00 2.61 -2.24 -1.13 -4.95 114.28 106.57 3ran n THR 21 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3ran n THR 21 Cb 0.00 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 3ran n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ran n GLY 22 N 1.37 1.37 0.15 3.38 0.00 -1.26 -4.60 105.19 105.60 3ran n GLY 22 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3ran n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ran h LYS 23 N 0.30 -0.20 -0.37 1.61 1.57 -1.92 -0.94 116.57 116.62 3ran h LYS 23 Ca 0.00 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3ran h LYS 23 Cb 0.00 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3ran h LYS 23 CO 0.00 -0.13 0.23 1.15 -0.57 0.00 0.00 179.45 180.13 3ran h THR 24 N -0.21 1.07 -0.30 -0.16 2.02 -1.97 -2.03 112.91 111.33 3ran h THR 24 Ca 0.02 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.09 3ran h THR 24 Cb 0.23 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 3ran h THR 24 CO -0.07 0.09 -0.00 0.74 0.37 0.00 0.00 175.52 176.64 3ran h THR 25 N 0.47 0.78 0.37 3.16 2.02 -1.97 -2.13 112.91 115.62 3ran h THR 25 Ca 0.14 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 3ran h THR 25 Cb -0.03 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3ran h THR 25 CO -0.04 0.02 -0.18 0.15 0.37 0.00 0.00 175.52 175.83 3ran h PHE 26 N 0.09 -0.46 0.00 3.16 3.57 -0.99 -3.27 116.94 119.04 3ran h PHE 26 Ca 0.15 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 3ran h PHE 26 Cb 0.19 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 3ran h PHE 26 CO -0.22 -0.24 -0.13 -0.24 -2.23 0.00 0.00 178.31 175.25 3ran h VAL 27 N -0.58 0.46 0.00 1.41 3.04 -1.31 -2.85 116.25 116.41 3ran h VAL 27 Ca -0.05 -0.66 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 3ran h VAL 27 Cb 0.43 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 3ran h VAL 27 CO 0.08 0.12 0.00 0.29 -1.01 0.00 0.00 177.57 177.06 3ran n LYS 28 N -3.47 0.01 -0.26 4.17 5.02 -0.81 -3.57 118.16 119.25 3ran n LYS 28 Ca -0.01 0.20 -0.05 0.00 -2.02 0.00 0.00 58.31 56.43 3ran n LYS 28 Cb 0.29 -1.51 0.09 0.00 -0.02 0.00 0.00 35.03 33.88 3ran n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ran h ARG 29 N 0.00 1.12 -6.10 1.97 2.47 -1.57 -3.38 114.38 108.89 3ran h ARG 29 Ca 0.00 -0.21 -0.53 0.00 -1.26 0.00 0.00 59.98 57.99 3ran h ARG 29 Cb 0.31 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 3ran h ARG 29 CO 0.00 0.92 1.32 -1.58 0.56 0.00 0.00 179.97 181.19 3ran s HIS 30 N -5.48 1.75 0.24 3.04 2.46 -1.23 -1.41 115.29 114.66 3ran s HIS 30 Ca -0.12 0.74 -0.04 0.00 0.47 0.00 0.00 55.06 56.11 3ran s HIS 30 Cb 0.16 -4.11 0.27 0.00 -0.13 0.00 0.00 32.58 28.76 3ran s HIS 30 CO 0.83 -2.47 1.78 -0.07 -2.47 0.00 0.00 174.74 172.35 3ran h LEU 31 N 15.39 0.92 0.00 8.88 3.38 -1.72 -2.66 115.31 139.51 3ran h LEU 31 Ca -0.28 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.37 3ran h LEU 31 Cb 1.16 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3ran h LEU 31 CO 1.16 0.89 -0.68 0.74 0.09 0.00 0.00 178.44 180.63 3ran h THR 32 N 0.94 1.07 -0.67 0.22 2.02 -1.92 -2.45 112.91 112.13 3ran h THR 32 Ca 0.20 -2.53 -0.05 0.00 0.77 0.00 0.00 66.41 64.80 3ran h THR 32 Cb 0.32 2.52 -0.03 0.00 -1.74 0.00 0.00 68.15 69.22 3ran h THR 32 CO -0.00 0.61 0.20 1.23 0.37 0.00 0.00 175.52 177.93 3ran h GLY 33 N 3.38 1.10 0.69 2.16 0.00 -1.67 -1.39 103.07 107.34 3ran h GLY 33 Ca -0.02 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 3ran h GLY 33 CO 0.08 0.60 -0.03 -2.09 0.00 0.00 0.00 176.54 175.10 3ran h GLU 34 N 0.99 0.18 -0.64 4.80 4.57 -1.32 -2.80 114.58 120.35 3ran h GLU 34 Ca 0.22 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.37 3ran h GLU 34 Cb 0.29 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.83 3ran h GLU 34 CO -0.01 0.52 0.38 0.35 -1.18 0.00 0.00 179.01 179.07 3ran h PHE 35 N -0.18 0.70 -0.21 0.92 3.57 -1.37 -2.85 116.94 117.53 3ran h PHE 35 Ca 0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3ran h PHE 35 Cb 0.46 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3ran h PHE 35 CO 0.06 0.37 0.00 0.39 -2.23 0.00 0.00 178.31 176.91 3ran n GLU 36 N -4.75 1.88 -1.47 1.11 -0.58 -0.53 -5.00 120.64 111.31 3ran n GLU 36 Ca 0.07 -1.33 -0.37 0.00 -0.42 0.00 0.00 57.16 55.11 3ran n GLU 36 Cb 0.12 -1.42 0.06 0.00 -0.57 0.00 0.00 31.44 29.64 3ran n GLU 36 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3ran n LYS 37 N 0.56 0.61 -4.76 3.49 2.85 -1.05 -4.84 118.16 115.02 3ran n LYS 37 Ca 0.17 0.25 -0.33 0.00 -1.05 0.00 0.00 58.31 57.35 3ran n LYS 37 Cb 0.38 -2.04 -0.13 0.00 -0.65 0.00 0.00 35.03 32.60 3ran n LYS 37 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3ran s LYS 38 N -2.79 2.82 -0.20 -1.58 3.01 -0.62 -4.97 119.74 115.41 3ran s LYS 38 Ca 0.72 -0.64 -0.11 0.00 -1.01 0.00 0.00 55.97 54.94 3ran s LYS 38 Cb -0.39 -2.52 -0.05 0.00 -1.01 0.00 0.00 37.83 33.86 3ran s LYS 38 CO 0.51 0.53 0.16 -0.47 0.51 0.00 0.00 175.35 176.59 3ran s TYR 39 N -0.48 3.40 -0.53 3.18 5.04 -1.26 -1.12 117.35 125.59 3ran s TYR 39 Ca 0.06 0.35 -0.02 0.00 -2.44 0.00 0.00 57.07 55.03 3ran s TYR 39 Cb -0.12 -2.20 0.14 0.00 0.35 0.00 0.00 41.96 40.13 3ran s TYR 39 CO 0.02 0.25 0.32 0.08 -1.34 0.00 0.00 175.55 174.88 3ran s VAL 40 N 0.48 3.36 0.33 3.14 1.01 -0.64 -4.98 120.40 123.10 3ran s VAL 40 Ca 0.09 -2.69 0.08 0.00 0.00 0.00 0.00 61.98 59.47 3ran s VAL 40 Cb -0.12 -3.25 0.08 0.00 0.00 0.00 0.00 36.38 33.09 3ran s VAL 40 CO -0.00 -0.79 1.77 0.00 0.00 0.00 0.00 175.10 176.08 3ran h ALA 41 N 7.32 1.25 -0.79 5.51 0.00 -1.97 -2.28 119.26 128.29 3ran h ALA 41 Ca -0.06 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.57 3ran h ALA 41 Cb 0.98 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3ran h ALA 41 CO 0.70 0.51 0.52 1.15 0.00 0.00 0.00 179.25 182.13 3ran h THR 42 N 0.18 1.01 -0.07 0.00 2.02 -1.97 -3.11 112.91 110.96 3ran h THR 42 Ca 0.02 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3ran h THR 42 Cb 0.68 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3ran h THR 42 CO 0.05 0.15 0.00 0.18 0.37 0.00 0.00 175.52 176.27 3ran n LEU 43 N -4.49 2.35 -3.42 2.58 4.77 -1.11 -5.04 117.00 112.64 3ran n LEU 43 Ca 0.12 -1.11 -0.18 0.00 -0.03 0.00 0.00 56.01 54.81 3ran n LEU 43 Cb 0.25 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.38 3ran n LEU 43 CO 0.33 0.45 0.03 0.61 -1.33 0.00 0.00 177.39 177.48 3ran n GLY 44 N 0.84 -0.77 3.32 -0.72 0.00 -0.88 -4.94 105.19 102.04 3ran n GLY 44 Ca 0.09 0.36 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 3ran n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ran s VAL 45 N -3.43 0.06 -0.17 1.61 0.11 -1.13 -1.51 120.40 115.93 3ran s VAL 45 Ca 0.25 -0.46 0.01 0.00 -2.93 0.00 0.00 61.98 58.85 3ran s VAL 45 Cb -0.04 -0.96 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 3ran s VAL 45 CO 0.76 -0.26 -0.19 -1.61 -3.33 0.00 0.00 175.10 170.47 3ran s GLU 46 N -2.53 3.04 -0.25 1.54 2.02 -0.22 -1.62 118.70 120.68 3ran s GLU 46 Ca -0.05 -0.82 -0.10 0.00 0.02 0.00 0.00 54.97 54.03 3ran s GLU 46 Cb -0.01 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 3ran s GLU 46 CO -0.03 -0.13 0.14 0.08 0.02 0.00 0.00 175.26 175.35 3ran s VAL 47 N 1.11 5.05 -0.22 2.63 1.01 -0.27 -1.31 120.40 128.40 3ran s VAL 47 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 3ran s VAL 47 Cb -0.14 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 3ran s VAL 47 CO -0.08 0.31 -0.02 -1.00 0.00 0.00 0.00 175.10 174.32 3ran s HIS 48 N 1.43 2.99 -0.82 5.22 3.76 -0.31 -1.60 115.29 125.96 3ran s HIS 48 Ca 0.07 -0.72 -0.21 0.00 -0.15 0.00 0.00 55.06 54.05 3ran s HIS 48 Cb -0.15 -2.11 0.09 0.00 1.11 0.00 0.00 32.58 31.52 3ran s HIS 48 CO 0.07 -0.42 1.11 -1.25 -0.85 0.00 0.00 174.74 173.39 3ran s PRO 49 N 1.34 3.38 -0.59 8.40 0.04 -1.26 -0.47 135.00 145.83 3ran s PRO 49 Ca 0.04 -1.23 -0.17 0.00 0.04 0.00 0.00 61.00 59.68 3ran s PRO 49 Cb -0.14 -4.66 0.12 0.00 0.04 0.00 0.00 34.50 29.86 3ran s PRO 49 CO -0.00 -1.86 0.62 -0.51 0.04 0.00 0.00 177.00 175.28 3ran s LEU 50 N 3.68 5.86 0.11 -3.56 1.43 -0.17 -4.05 118.68 121.97 3ran s LEU 50 Ca 0.30 -1.70 -0.27 0.00 -1.03 0.00 0.00 54.13 51.43 3ran s LEU 50 Cb -0.09 -2.25 -0.06 0.00 0.03 0.00 0.00 46.19 43.81 3ran s LEU 50 CO -0.00 -0.96 0.86 -0.69 0.23 0.00 0.00 176.35 175.78 3ran s VAL 51 N 2.01 4.51 0.01 -1.59 1.01 -1.26 -1.52 120.40 123.57 3ran s VAL 51 Ca 0.08 1.85 0.04 0.00 0.00 0.00 0.00 61.98 63.96 3ran s VAL 51 Cb -0.26 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 3ran s VAL 51 CO 0.03 0.39 -0.14 -0.36 0.00 0.00 0.00 175.10 175.03 3ran s PHE 52 N -0.36 1.23 -0.35 5.22 0.40 -0.81 -4.86 117.98 118.45 3ran s PHE 52 Ca 0.41 -0.27 -0.08 0.00 -0.60 0.00 0.00 56.93 56.39 3ran s PHE 52 Cb -0.23 -0.77 0.04 0.00 0.51 0.00 0.00 43.02 42.57 3ran s PHE 52 CO 0.27 0.00 0.13 -1.01 0.70 0.00 0.00 175.22 175.31 3ran s HIS 53 N -0.50 3.25 0.59 0.36 3.76 -1.26 -1.74 115.29 119.74 3ran s HIS 53 Ca 0.04 -1.28 0.06 0.00 -0.15 0.00 0.00 55.06 53.72 3ran s HIS 53 Cb -0.06 -2.32 0.11 0.00 1.11 0.00 0.00 32.58 31.41 3ran s HIS 53 CO 0.00 -0.70 0.81 0.25 -0.85 0.00 0.00 174.74 174.25 3ran n THR 54 N 4.86 0.00 0.43 1.30 -2.24 -0.25 -1.85 114.28 116.54 3ran n THR 54 Ca -0.12 -1.67 0.13 0.00 -2.27 0.00 0.00 64.05 60.12 3ran n THR 54 Cb 0.45 -0.69 0.48 0.00 -2.10 0.00 0.00 70.33 68.47 3ran n THR 54 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ran h ASN 55 N -0.14 0.00 -0.39 3.42 -1.07 -1.70 -1.62 115.58 114.08 3ran h ASN 55 Ca -0.27 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.04 3ran h ASN 55 Cb 1.14 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.36 3ran h ASN 55 CO 0.35 0.00 0.04 0.54 0.07 0.00 0.00 177.43 178.42 3ran n ARG 56 N -2.38 3.23 0.00 4.14 1.74 -1.26 -5.07 116.66 117.05 3ran n ARG 56 Ca 0.03 -2.97 0.00 0.00 -0.77 0.00 0.00 57.85 54.13 3ran n ARG 56 Cb 0.30 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 3ran n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ran n GLY 57 N -0.36 0.66 3.75 -0.13 0.00 -0.61 -5.05 105.19 103.45 3ran n GLY 57 Ca 0.27 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 3ran n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ran s PRO 58 N -1.04 4.70 0.14 1.61 0.04 -1.26 -1.09 135.00 138.11 3ran s PRO 58 Ca 0.00 1.34 0.06 0.00 0.04 0.00 0.00 61.00 62.44 3ran s PRO 58 Cb 0.00 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 3ran s PRO 58 CO 0.00 0.43 -0.14 0.96 0.04 0.00 0.00 177.00 178.29 3ran s ILE 59 N -0.75 1.43 -0.15 0.56 -4.36 -0.71 -4.63 121.20 112.59 3ran s ILE 59 Ca 0.41 -1.87 -0.01 0.00 -0.26 0.00 0.00 60.65 58.92 3ran s ILE 59 Cb -0.24 -1.70 0.04 0.00 1.25 0.00 0.00 42.46 41.81 3ran s ILE 59 CO 0.29 -0.48 -0.05 -0.75 0.24 0.00 0.00 174.94 174.19 3ran s LYS 60 N -3.01 1.34 -0.36 0.37 2.20 -0.57 -1.92 119.74 117.79 3ran s LYS 60 Ca 0.13 -0.41 -0.16 0.00 -0.36 0.00 0.00 55.97 55.17 3ran s LYS 60 Cb -0.03 -1.85 -0.00 0.00 -1.51 0.00 0.00 37.83 34.43 3ran s LYS 60 CO 0.04 -0.40 0.39 -0.06 -0.36 0.00 0.00 175.35 174.96 3ran s PHE 61 N 1.69 3.20 -0.84 4.03 0.08 -0.57 -1.21 117.98 124.35 3ran s PHE 61 Ca 0.02 -0.08 -0.20 0.00 0.12 0.00 0.00 56.93 56.78 3ran s PHE 61 Cb -0.15 -2.74 0.10 0.00 -0.57 0.00 0.00 43.02 39.66 3ran s PHE 61 CO -0.08 -0.50 1.10 -0.80 -0.10 0.00 0.00 175.22 174.84 3ran s ASN 62 N 1.75 6.45 -0.23 1.36 0.02 -0.65 -1.00 114.94 122.64 3ran s ASN 62 Ca 0.12 -1.61 -0.24 0.00 -1.02 0.00 0.00 52.86 50.11 3ran s ASN 62 Cb -0.17 -2.42 -0.01 0.00 0.02 0.00 0.00 41.25 38.67 3ran s ASN 62 CO 0.12 -1.24 0.78 -0.69 0.02 0.00 0.00 177.10 176.10 3ran s VAL 63 N 3.39 4.88 -0.41 1.60 1.01 0.38 -1.31 120.40 129.93 3ran s VAL 63 Ca 0.30 1.48 -0.23 0.00 0.00 0.00 0.00 61.98 63.53 3ran s VAL 63 Cb -0.09 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.23 3ran s VAL 63 CO -0.03 -0.03 0.79 0.26 0.00 0.00 0.00 175.10 176.09 3ran s TRP 64 N 2.64 3.05 -0.19 5.22 0.52 -0.57 -1.16 118.94 128.45 3ran s TRP 64 Ca 0.33 0.37 -0.02 0.00 0.02 0.00 0.00 56.10 56.80 3ran s TRP 64 Cb -0.15 -3.55 -0.01 0.00 -1.15 0.00 0.00 33.47 28.61 3ran s TRP 64 CO 0.08 -0.87 -0.09 0.34 0.02 0.00 0.00 176.95 176.44 3ran s ASP 65 N 2.00 4.08 0.38 2.95 2.15 -0.43 -3.09 116.67 124.71 3ran s ASP 65 Ca 0.31 -0.40 -0.27 0.00 0.43 0.00 0.00 52.55 52.62 3ran s ASP 65 Cb -0.12 -1.67 -0.09 0.00 -0.30 0.00 0.00 42.92 40.73 3ran s ASP 65 CO 0.20 0.03 1.30 0.28 -0.17 0.00 0.00 175.17 176.81 3ran s THR 66 N 1.15 2.66 -1.91 1.71 -1.32 -1.26 -1.06 115.64 115.61 3ran s THR 66 Ca 0.01 0.62 0.27 0.00 -1.21 0.00 0.00 61.69 61.39 3ran s THR 66 Cb -0.14 -3.38 0.37 0.00 -1.51 0.00 0.00 72.50 67.84 3ran s THR 66 CO -0.02 0.11 1.66 0.00 -2.21 0.00 0.00 174.62 174.16 3ran n ALA 67 N 0.37 2.91 -3.10 11.08 0.00 -0.57 -4.87 120.51 126.33 3ran n ALA 67 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3ran n ALA 67 Cb 0.43 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3ran n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ran n GLY 68 N 1.29 3.19 2.28 0.00 0.00 -1.26 -5.04 105.19 105.64 3ran n GLY 68 Ca 0.14 -2.13 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 3ran n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ran n LEU 69 N 0.00 4.90 -4.58 0.99 4.77 -1.26 -4.99 117.00 116.83 3ran n LEU 69 Ca 0.00 -4.99 -0.40 0.00 -0.03 0.00 0.00 56.01 50.59 3ran n LEU 69 Cb 0.00 -0.42 0.02 0.00 -2.33 0.00 0.00 43.42 40.69 3ran n LEU 69 CO 0.00 2.16 0.48 -0.62 -1.33 0.00 0.00 177.39 178.08 3ran n GLU 70 N -0.59 1.11 -3.18 3.23 4.71 -1.26 -4.75 120.64 119.91 3ran n GLU 70 Ca 0.42 0.41 -0.23 0.00 -0.01 0.00 0.00 57.16 57.74 3ran n GLU 70 Cb 0.79 -1.99 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 3ran n GLU 70 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3ran s LYS 71 N -2.13 3.26 0.26 3.49 1.02 -1.26 -4.43 119.74 119.95 3ran s LYS 71 Ca 0.66 -0.44 -0.30 0.00 0.02 0.00 0.00 55.97 55.91 3ran s LYS 71 Cb -0.52 -2.62 -0.14 0.00 -0.52 0.00 0.00 37.83 34.04 3ran s LYS 71 CO 0.55 -0.07 1.31 1.97 -0.92 0.00 0.00 175.35 178.19 3ran n PHE 72 N -1.93 1.99 -0.76 3.18 1.16 -1.26 -1.44 117.46 118.40 3ran n PHE 72 Ca -0.01 0.52 0.00 0.00 -1.87 0.00 0.00 57.45 56.08 3ran n PHE 72 Cb 0.57 -2.41 0.00 0.00 -1.61 0.00 0.00 39.48 36.03 3ran n PHE 72 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3ran n GLY 73 N 1.76 0.63 0.01 4.97 0.00 -1.26 -4.95 105.19 106.35 3ran n GLY 73 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 3ran n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ran n GLY 74 N -2.73 -0.35 3.76 -0.02 0.00 -0.52 -4.98 105.19 100.35 3ran n GLY 74 Ca 0.00 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 3ran n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ran s LEU 75 N -2.66 4.59 0.82 0.99 1.43 -1.26 -4.94 118.68 117.65 3ran s LEU 75 Ca 0.06 1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 3ran s LEU 75 Cb 0.11 -3.67 0.08 0.00 0.03 0.00 0.00 46.19 42.74 3ran s LEU 75 CO 0.59 0.12 1.10 -0.13 0.23 0.00 0.00 176.35 178.26 3ran s ARG 76 N -1.33 1.88 0.31 1.70 0.52 -1.26 -4.98 118.95 115.80 3ran s ARG 76 Ca 0.42 0.59 0.05 0.00 -0.52 0.00 0.00 55.73 56.27 3ran s ARG 76 Cb -0.25 -1.90 0.53 0.00 0.52 0.00 0.00 34.95 33.85 3ran s ARG 76 CO 0.30 -1.75 1.78 -0.44 0.02 0.00 0.00 175.30 175.21 3ran h ASP 77 N -1.18 0.37 -0.88 0.23 3.32 -2.01 -2.83 116.42 113.44 3ran h ASP 77 Ca -0.48 -0.11 0.11 0.00 0.02 0.00 0.00 57.03 56.57 3ran h ASP 77 Cb 1.28 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.66 3ran h ASP 77 CO 0.60 0.61 0.57 1.23 -1.72 0.00 0.00 179.24 180.52 3ran h GLY 78 N 0.99 1.24 0.64 2.75 0.00 -1.96 -2.12 103.07 104.60 3ran h GLY 78 Ca 0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3ran h GLY 78 CO 0.04 0.16 -0.51 -1.82 0.00 0.00 0.00 176.54 174.42 3ran h TYR 79 N 0.81 -1.38 0.00 5.60 5.03 -1.86 -3.31 116.97 121.85 3ran h TYR 79 Ca 0.42 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.60 3ran h TYR 79 Cb 0.51 0.52 -0.02 0.00 1.55 0.00 0.00 36.73 39.29 3ran h TYR 79 CO -0.00 -0.70 -0.59 1.88 -1.32 0.00 0.00 178.16 177.42 3ran h TYR 80 N -1.10 0.00 -1.72 -3.82 0.05 -1.57 -3.47 116.97 105.34 3ran h TYR 80 Ca -0.08 0.00 -0.69 0.00 0.05 0.00 0.00 58.73 58.01 3ran h TYR 80 Cb 0.92 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.69 3ran h TYR 80 CO -0.20 0.59 0.79 1.51 -1.05 0.00 0.00 178.16 179.81 3ran n ILE 81 N -3.68 0.23 -1.39 -2.88 3.06 -0.83 -2.35 119.36 111.52 3ran n ILE 81 Ca -0.01 -0.04 -0.08 0.00 -2.50 0.00 0.00 62.75 60.12 3ran n ILE 81 Cb 0.63 -1.23 -0.03 0.00 0.54 0.00 0.00 39.64 39.55 3ran n ILE 81 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ran n GLN 82 N 4.56 -0.55 -2.14 9.51 6.02 -1.26 -5.01 117.38 128.51 3ran n GLN 82 Ca 0.23 0.70 -0.41 0.00 -0.01 0.00 0.00 57.00 57.51 3ran n GLN 82 Cb 0.19 -4.55 -0.02 0.00 1.02 0.00 0.00 30.24 26.88 3ran n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ran s ALA 83 N -2.31 3.51 -0.42 -1.58 0.00 -0.99 -4.81 121.76 115.16 3ran s ALA 83 Ca 0.00 1.23 0.22 0.00 0.00 0.00 0.00 51.96 53.41 3ran s ALA 83 Cb 0.00 -3.48 -0.26 0.00 0.00 0.00 0.00 23.12 19.39 3ran s ALA 83 CO 0.00 -0.61 0.69 1.04 0.00 0.00 0.00 175.76 176.88 3ran n GLN 84 N 1.14 0.40 -3.85 0.00 6.02 -0.81 -5.01 117.38 115.27 3ran n GLN 84 Ca 0.01 -0.11 -0.08 0.00 -0.01 0.00 0.00 57.00 56.82 3ran n GLN 84 Cb 0.42 -1.53 -0.00 0.00 1.02 0.00 0.00 30.24 30.15 3ran n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ran s ALA 86 N -3.28 -1.01 -0.06 0.00 0.00 -1.11 -2.48 121.76 113.83 3ran s ALA 86 Ca 0.13 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.09 3ran s ALA 86 Cb -0.05 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.83 3ran s ALA 86 CO 0.09 -0.69 -0.11 0.42 0.00 0.00 0.00 175.76 175.47 3ran s ILE 87 N -3.81 1.01 -0.19 0.00 1.01 -0.81 -2.34 121.20 116.07 3ran s ILE 87 Ca 0.04 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 3ran s ILE 87 Cb 0.01 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 3ran s ILE 87 CO -0.10 0.33 -0.02 -0.63 0.00 0.00 0.00 174.94 174.51 3ran s ILE 88 N 0.69 3.81 0.02 2.92 1.01 -0.58 -2.04 121.20 127.03 3ran s ILE 88 Ca -0.14 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.18 3ran s ILE 88 Cb -0.15 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 3ran s ILE 88 CO 0.03 0.45 -0.08 -0.32 0.00 0.00 0.00 174.94 175.02 3ran s MET 89 N 0.83 2.48 0.10 2.79 1.75 -0.44 -1.20 119.30 125.61 3ran s MET 89 Ca -0.00 -0.77 -0.04 0.00 -1.25 0.00 0.00 55.69 53.63 3ran s MET 89 Cb -0.14 -2.46 -0.03 0.00 2.84 0.00 0.00 34.83 35.04 3ran s MET 89 CO 0.02 0.59 0.09 -0.59 -0.65 0.00 0.00 175.02 174.48 3ran s PHE 90 N -1.01 0.50 -0.21 4.11 -0.71 -0.83 -4.25 117.98 115.57 3ran s PHE 90 Ca 0.17 -0.95 -0.08 0.00 -1.04 0.00 0.00 56.93 55.04 3ran s PHE 90 Cb -0.11 -0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.38 3ran s PHE 90 CO 0.08 -0.51 0.09 0.34 -1.34 0.00 0.00 175.22 173.88 3ran s ASP 91 N -2.94 5.64 0.00 1.98 -1.08 -1.26 -0.32 116.67 118.68 3ran s ASP 91 Ca 0.12 0.02 0.18 0.00 -0.52 0.00 0.00 52.55 52.36 3ran s ASP 91 Cb 0.06 -1.99 0.85 0.00 -1.46 0.00 0.00 42.92 40.38 3ran s ASP 91 CO -0.06 0.10 1.58 1.33 0.52 0.00 0.00 175.17 178.65 3ran n VAL 92 N 4.02 0.63 0.35 1.11 0.24 -0.98 -2.27 118.33 121.41 3ran n VAL 92 Ca -0.16 0.16 0.12 0.00 -2.04 0.00 0.00 64.34 62.41 3ran n VAL 92 Cb 0.52 -0.84 0.24 0.00 -1.47 0.00 0.00 33.84 32.29 3ran n VAL 92 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3ran n THR 93 N -1.42 0.53 -3.47 3.34 -2.24 -1.26 -1.15 114.28 108.61 3ran n THR 93 Ca 0.06 -0.73 -0.22 0.00 -2.27 0.00 0.00 64.05 60.89 3ran n THR 93 Cb 0.19 0.85 -0.12 0.00 -2.10 0.00 0.00 70.33 69.15 3ran n THR 93 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ran s SER 94 N -1.43 2.39 0.34 3.42 0.15 -0.96 -4.76 113.70 112.85 3ran s SER 94 Ca 0.39 -0.91 0.06 0.00 0.70 0.00 0.00 55.95 56.19 3ran s SER 94 Cb 0.22 0.14 0.71 0.00 -1.71 0.00 0.00 66.02 65.39 3ran s SER 94 CO 0.31 -0.40 1.91 0.03 1.20 0.00 0.00 173.24 176.29 3ran h ARG 95 N 8.33 0.79 -0.34 5.44 3.08 -1.88 -2.62 114.38 127.18 3ran h ARG 95 Ca -0.16 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 3ran h ARG 95 Cb 1.06 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 3ran h ARG 95 CO 0.37 0.52 0.14 -0.24 -1.07 0.00 0.00 179.97 179.68 3ran h VAL 96 N 0.81 1.14 -0.60 2.04 3.04 -1.96 -2.32 116.25 118.39 3ran h VAL 96 Ca 0.39 -0.42 -0.09 0.00 -1.01 0.00 0.00 66.70 65.57 3ran h VAL 96 Cb 0.43 0.73 -0.02 0.00 -2.01 0.00 0.00 31.29 30.42 3ran h VAL 96 CO -0.16 0.16 0.01 0.71 -1.01 0.00 0.00 177.57 177.29 3ran h THR 97 N 0.48 1.26 -0.08 3.17 1.35 -1.79 -2.33 112.91 114.98 3ran h THR 97 Ca 0.12 -1.12 -0.13 0.00 -0.55 0.00 0.00 66.41 64.72 3ran h THR 97 Cb 0.10 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.30 3ran h THR 97 CO -0.01 0.41 -0.55 0.22 -0.25 0.00 0.00 175.52 175.34 3ran h TYR 98 N 0.95 0.28 0.00 4.73 3.20 -1.60 -3.02 116.97 121.51 3ran h TYR 98 Ca 0.17 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3ran h TYR 98 Cb 0.53 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.75 3ran h TYR 98 CO 0.04 0.72 0.00 0.36 -1.64 0.00 0.00 178.16 177.63 3ran n LYS 99 N -3.91 0.22 0.00 1.82 -0.00 -0.90 -2.73 118.16 112.65 3ran n LYS 99 Ca -0.02 0.25 0.14 0.00 -0.00 0.00 0.00 58.31 58.67 3ran n LYS 99 Cb 0.57 -1.79 0.54 0.00 -0.00 0.00 0.00 35.03 34.36 3ran n LYS 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3ran n ASN 100 N -2.17 0.38 -0.14 -5.58 3.02 -0.89 -4.34 115.26 105.54 3ran n ASN 100 Ca 0.05 -0.28 -0.07 0.00 -0.03 0.00 0.00 54.58 54.24 3ran n ASN 100 Cb 0.37 -0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.42 3ran n ASN 100 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3ran h VAL 101 N 0.35 0.21 -0.91 2.41 2.07 -1.53 -1.82 116.25 117.01 3ran h VAL 101 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 3ran h VAL 101 Cb 0.42 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 3ran h VAL 101 CO 0.00 0.00 0.59 -0.65 0.02 0.00 0.00 177.57 177.53 3ran h PRO 102 N -0.24 0.71 -0.06 1.57 0.11 -1.82 -0.34 132.00 131.92 3ran h PRO 102 Ca 0.18 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.13 3ran h PRO 102 Cb 0.54 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3ran h PRO 102 CO -0.57 0.47 -0.51 -0.91 -0.21 0.00 0.00 178.00 176.27 3ran h ASN 103 N 0.73 0.18 -0.29 -2.05 -0.26 -1.62 -1.78 115.58 110.49 3ran h ASN 103 Ca 0.46 -0.09 -0.14 0.00 -0.56 0.00 0.00 56.30 55.97 3ran h ASN 103 Cb 0.71 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.91 3ran h ASN 103 CO -0.22 0.66 -0.36 -0.50 -1.06 0.00 0.00 177.43 175.95 3ran h TRP 104 N 0.13 0.92 -0.35 1.19 4.06 -0.91 -2.44 115.95 118.56 3ran h TRP 104 Ca 0.00 -0.29 0.01 0.00 2.06 0.00 0.00 58.89 60.67 3ran h TRP 104 Cb 0.95 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.90 3ran h TRP 104 CO 0.01 1.07 0.21 1.25 -3.56 0.00 0.00 178.44 177.42 3ran h HIS 105 N 0.51 0.40 -0.36 0.49 2.76 -1.02 -2.24 115.15 115.67 3ran h HIS 105 Ca 0.04 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.27 3ran h HIS 105 Cb 0.95 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.73 3ran h HIS 105 CO 0.07 0.24 0.08 -0.09 -1.30 0.00 0.00 177.93 176.94 3ran h ARG 106 N 0.43 0.20 -0.38 5.26 1.12 -1.33 -2.48 114.38 117.20 3ran h ARG 106 Ca 0.13 -0.01 0.08 0.00 -1.11 0.00 0.00 59.98 59.07 3ran h ARG 106 Cb -0.01 -0.05 -0.09 0.00 -0.01 0.00 0.00 29.97 29.81 3ran h ARG 106 CO -0.05 0.14 -0.25 -0.44 -3.11 0.00 0.00 179.97 176.26 3ran h ASP 107 N 0.21 -0.82 0.23 -3.80 3.32 -1.11 -2.34 116.42 112.11 3ran h ASP 107 Ca 0.17 0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.39 3ran h ASP 107 Cb 0.19 0.41 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3ran h ASP 107 CO -0.22 -0.27 -0.25 -0.07 -1.72 0.00 0.00 179.24 176.71 3ran h LEU 108 N -0.19 -0.68 -1.47 1.55 3.38 -0.98 -3.21 115.31 113.71 3ran h LEU 108 Ca 0.18 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.23 3ran h LEU 108 Cb 0.47 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3ran h LEU 108 CO -0.49 -0.36 0.36 0.58 0.09 0.00 0.00 178.44 178.62 3ran h VAL 109 N -0.52 1.13 -0.69 1.22 2.07 -1.48 0.16 116.25 118.14 3ran h VAL 109 Ca 0.00 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.33 3ran h VAL 109 Cb 0.49 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3ran h VAL 109 CO -0.07 0.13 0.39 -0.09 0.02 0.00 0.00 177.57 177.95 3ran h ARG 110 N 0.72 0.71 0.04 1.57 2.43 -1.41 -0.48 114.38 117.95 3ran h ARG 110 Ca 0.20 -0.04 -0.37 0.00 -0.81 0.00 0.00 59.98 58.96 3ran h ARG 110 Cb -0.06 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.28 3ran h ARG 110 CO -0.05 0.47 -2.23 0.28 -1.51 0.00 0.00 179.97 176.93 3ran n VAL 111 N -4.76 1.57 0.60 0.20 0.31 -1.00 -4.62 118.33 110.63 3ran n VAL 111 Ca 0.09 -0.68 0.09 0.00 -0.01 0.00 0.00 64.34 63.83 3ran n VAL 111 Cb 0.16 -1.29 -0.12 0.00 -0.91 0.00 0.00 33.84 31.68 3ran n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ran n GLU 113 N -1.67 0.00 -2.85 0.00 1.02 -0.19 -4.35 120.64 112.59 3ran n GLU 113 Ca 0.01 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 3ran n GLU 113 Cb 0.36 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.73 3ran n GLU 113 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3ran s ASN 114 N -4.00 6.35 0.01 1.62 0.01 -1.26 -4.64 114.94 113.03 3ran s ASN 114 Ca 0.00 -0.33 -0.03 0.00 -0.71 0.00 0.00 52.86 51.79 3ran s ASN 114 Cb 0.00 -2.43 -0.01 0.00 0.41 0.00 0.00 41.25 39.22 3ran s ASN 114 CO 0.00 -1.19 0.04 0.27 -1.51 0.00 0.00 177.10 174.71 3ran s ILE 115 N 3.85 0.09 0.10 0.60 -4.36 -1.26 -5.11 121.20 115.11 3ran s ILE 115 Ca 0.30 -0.70 -0.31 0.00 -0.26 0.00 0.00 60.65 59.68 3ran s ILE 115 Cb -0.13 -0.30 -0.08 0.00 1.25 0.00 0.00 42.46 43.21 3ran s ILE 115 CO 0.20 -0.39 1.40 -2.16 0.24 0.00 0.00 174.94 174.23 3ran s PRO 116 N -1.22 4.31 0.03 0.37 0.05 -1.26 -4.91 135.00 132.36 3ran s PRO 116 Ca -0.13 2.07 0.08 0.00 0.05 0.00 0.00 61.00 63.07 3ran s PRO 116 Cb -0.08 -3.31 -0.02 0.00 0.05 0.00 0.00 34.50 31.14 3ran s PRO 116 CO 0.00 -0.47 -0.24 0.42 0.05 0.00 0.00 177.00 176.77 3ran s ILE 117 N 1.34 1.89 -0.07 0.56 1.01 -1.26 -2.76 121.20 121.92 3ran s ILE 117 Ca 0.65 -1.22 0.04 0.00 0.00 0.00 0.00 60.65 60.11 3ran s ILE 117 Cb -0.36 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 3ran s ILE 117 CO 0.30 0.34 -0.18 -0.69 0.00 0.00 0.00 174.94 174.71 3ran s VAL 118 N -0.74 2.65 -0.19 2.92 1.01 -0.99 -3.36 120.40 121.71 3ran s VAL 118 Ca 0.10 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 3ran s VAL 118 Cb -0.09 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3ran s VAL 118 CO 0.01 0.57 0.08 -0.22 0.00 0.00 0.00 175.10 175.55 3ran s LEU 119 N -0.30 3.92 -0.12 3.92 2.96 0.36 -1.52 118.68 127.89 3ran s LEU 119 Ca 0.02 0.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 3ran s LEU 119 Cb -0.13 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.56 3ran s LEU 119 CO 0.03 0.17 -0.22 0.00 -1.32 0.00 0.00 176.35 175.00 3ran s GLY 121 N 0.53 1.83 0.63 0.00 0.00 -0.82 -1.97 107.32 107.52 3ran s GLY 121 Ca -0.13 -2.14 -0.05 0.00 0.00 0.00 0.00 44.72 42.39 3ran s GLY 121 CO 0.05 1.47 0.93 0.21 0.00 0.00 0.00 173.10 175.76 3ran s ASN 122 N 3.32 5.21 -0.91 1.64 2.47 0.56 -1.78 114.94 125.45 3ran s ASN 122 Ca 0.11 0.51 -0.03 0.00 0.42 0.00 0.00 52.86 53.87 3ran s ASN 122 Cb -0.24 -1.34 0.00 0.00 -1.45 0.00 0.00 41.25 38.22 3ran s ASN 122 CO 0.07 -1.31 0.38 0.29 -3.72 0.00 0.00 177.10 172.82 3ran n LYS 123 N -2.70 -3.01 0.00 0.43 5.02 -1.09 -2.33 118.16 114.48 3ran n LYS 123 Ca 0.06 0.54 0.09 0.00 -2.02 0.00 0.00 58.31 56.98 3ran n LYS 123 Cb 0.59 -4.62 0.40 0.00 -0.02 0.00 0.00 35.03 31.39 3ran n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3ran n VAL 124 N -3.99 0.69 -0.27 -0.18 0.24 -1.17 -2.36 118.33 111.29 3ran n VAL 124 Ca -0.06 0.17 -0.04 0.00 -2.04 0.00 0.00 64.34 62.37 3ran n VAL 124 Cb 0.57 -0.85 0.07 0.00 -1.47 0.00 0.00 33.84 32.16 3ran n VAL 124 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3ran h ASP 125 N 0.00 0.83 -2.70 -1.34 2.03 -1.91 -3.44 116.42 109.88 3ran h ASP 125 Ca 0.00 -0.01 -0.52 0.00 -0.73 0.00 0.00 57.03 55.76 3ran h ASP 125 Cb 0.31 -0.20 0.04 0.00 -0.83 0.00 0.00 39.33 38.65 3ran h ASP 125 CO 0.00 0.59 0.98 -0.63 -1.03 0.00 0.00 179.24 179.15 3ran s ILE 126 N -6.13 2.48 -1.40 4.15 1.01 -0.99 -4.86 121.20 115.46 3ran s ILE 126 Ca -0.13 0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.69 3ran s ILE 126 Cb 0.15 -3.16 0.07 0.00 0.01 0.00 0.00 42.46 39.54 3ran s ILE 126 CO 0.78 0.01 2.42 0.29 0.00 0.00 0.00 174.94 178.44 3ran n LYS 127 N 4.50 4.08 -2.72 2.79 5.02 -1.26 -4.21 118.16 126.36 3ran n LYS 127 Ca 0.15 -3.12 -0.08 0.00 -2.02 0.00 0.00 58.31 53.25 3ran n LYS 127 Cb 0.38 -2.77 0.09 0.00 -0.02 0.00 0.00 35.03 32.71 3ran n LYS 127 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3ran n ASP 128 N 2.87 -2.16 -4.66 4.39 2.03 -1.26 -5.12 116.55 112.64 3ran n ASP 128 Ca 0.61 -3.33 -0.43 0.00 0.52 0.00 0.00 54.79 52.16 3ran n ASP 128 Cb 0.27 1.73 -0.02 0.00 -0.72 0.00 0.00 41.12 42.38 3ran n ASP 128 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3ran s ARG 129 N 0.23 4.19 -0.19 -0.67 3.52 -1.26 -4.43 118.95 120.35 3ran s ARG 129 Ca 0.22 1.71 0.04 0.00 -0.13 0.00 0.00 55.73 57.57 3ran s ARG 129 Cb 0.30 -3.81 -0.22 0.00 -1.56 0.00 0.00 34.95 29.66 3ran s ARG 129 CO -0.07 -0.77 0.09 1.63 -0.81 0.00 0.00 175.30 175.37 3ran n LYS 130 N 6.76 0.69 -3.56 5.12 4.76 -0.30 -4.84 118.16 126.79 3ran n LYS 130 Ca 0.15 0.17 -0.41 0.00 -2.87 0.00 0.00 58.31 55.34 3ran n LYS 130 Cb 0.45 -1.60 -0.09 0.00 -1.84 0.00 0.00 35.03 31.94 3ran n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3ran s VAL 131 N -2.53 4.40 0.47 -0.18 1.01 -0.96 -5.02 120.40 117.58 3ran s VAL 131 Ca -0.24 -1.41 0.08 0.00 0.00 0.00 0.00 61.98 60.41 3ran s VAL 131 Cb 0.08 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.77 3ran s VAL 131 CO 0.71 -0.57 0.61 -0.54 0.00 0.00 0.00 175.10 175.32 3ran s LYS 132 N 1.45 2.63 0.30 2.72 1.02 -1.26 -4.92 119.74 121.67 3ran s LYS 132 Ca 0.04 -1.41 0.03 0.00 0.02 0.00 0.00 55.97 54.64 3ran s LYS 132 Cb -0.24 -2.67 0.61 0.00 -0.52 0.00 0.00 37.83 35.01 3ran s LYS 132 CO 0.02 -0.45 1.85 0.00 -0.92 0.00 0.00 175.35 175.85 3ran h ALA 133 N 0.54 1.59 -0.64 5.17 0.00 -1.96 -1.94 119.26 122.01 3ran h ALA 133 Ca -0.37 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3ran h ALA 133 Cb 1.28 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3ran h ALA 133 CO 0.45 0.18 0.36 1.57 0.00 0.00 0.00 179.25 181.81 3ran h LYS 134 N 0.94 0.89 -0.18 0.00 -0.00 -1.96 -0.65 116.57 115.61 3ran h LYS 134 Ca 0.48 -0.10 -0.14 0.00 -0.00 0.00 0.00 60.65 60.89 3ran h LYS 134 Cb 0.51 -0.18 -0.01 0.00 -0.00 0.00 0.00 32.23 32.55 3ran h LYS 134 CO -0.24 0.67 -0.47 0.77 -0.00 0.00 0.00 179.45 180.18 3ran h SER 135 N 0.87 0.50 -0.31 7.07 0.02 -1.86 -1.96 113.55 117.88 3ran h SER 135 Ca 0.23 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 3ran h SER 135 Cb 0.03 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3ran h SER 135 CO -0.04 0.89 -0.25 0.40 -1.14 0.00 0.00 176.83 176.70 3ran h ILE 136 N 0.37 1.27 -0.05 3.27 2.04 -0.97 -2.87 117.51 120.56 3ran h ILE 136 Ca 0.02 -1.38 -0.20 0.00 1.00 0.00 0.00 64.86 64.30 3ran h ILE 136 Cb 0.97 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 3ran h ILE 136 CO 0.08 0.46 -0.80 0.58 0.00 0.00 0.00 178.15 178.48 3ran h VAL 137 N 0.69 1.39 -0.61 1.67 2.07 -1.15 -3.22 116.25 117.09 3ran h VAL 137 Ca 0.09 -2.25 0.11 0.00 0.82 0.00 0.00 66.70 65.47 3ran h VAL 137 Cb 0.78 2.21 -0.08 0.00 -1.52 0.00 0.00 31.29 32.68 3ran h VAL 137 CO 0.06 0.67 0.17 0.15 0.02 0.00 0.00 177.57 178.65 3ran h PHE 138 N 0.26 0.29 -0.47 1.57 3.57 -1.14 -2.45 116.94 118.57 3ran h PHE 138 Ca -0.05 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 3ran h PHE 138 Cb 1.39 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 40.04 3ran h PHE 138 CO 0.05 0.02 0.12 0.72 -2.23 0.00 0.00 178.31 177.00 3ran n HIS 139 N -5.07 1.62 -1.34 0.41 8.25 -1.13 -5.03 115.22 112.93 3ran n HIS 139 Ca 0.09 -0.75 -0.35 0.00 -0.26 0.00 0.00 57.72 56.45 3ran n HIS 139 Cb 0.31 -0.48 0.10 0.00 1.12 0.00 0.00 29.99 31.04 3ran n HIS 139 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3ran n ARG 140 N 0.14 0.52 -4.70 -0.41 0.00 -0.92 -5.04 116.66 106.25 3ran n ARG 140 Ca 0.25 0.25 -0.23 0.00 -0.00 0.00 0.00 57.85 58.11 3ran n ARG 140 Cb 1.02 -2.41 -0.15 0.00 -0.00 0.00 0.00 32.46 30.91 3ran n ARG 140 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3ran s LYS 141 N -3.72 1.28 0.31 2.89 2.47 -1.26 -5.11 119.74 116.60 3ran s LYS 141 Ca 0.76 -0.53 -0.30 0.00 -1.56 0.00 0.00 55.97 54.34 3ran s LYS 141 Cb -0.33 -1.22 -0.12 0.00 -1.46 0.00 0.00 37.83 34.71 3ran s LYS 141 CO 0.48 0.30 1.58 0.36 0.16 0.00 0.00 175.35 178.23 3ran n LYS 142 N 2.81 2.70 -1.68 4.03 2.85 -1.26 -2.78 118.16 124.82 3ran n LYS 142 Ca -0.15 0.96 -0.12 0.00 -1.05 0.00 0.00 58.31 57.95 3ran n LYS 142 Cb 0.54 -2.73 -0.03 0.00 -0.65 0.00 0.00 35.03 32.16 3ran n LYS 142 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3ran n ASN 143 N 1.92 -4.24 -3.80 -5.58 3.02 -1.26 -5.00 115.26 100.31 3ran n ASN 143 Ca 0.07 0.18 -0.30 0.00 -0.03 0.00 0.00 54.58 54.51 3ran n ASN 143 Cb 0.37 -3.05 -0.15 0.00 -0.61 0.00 0.00 39.78 36.34 3ran n ASN 143 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3ran s LEU 144 N -3.04 2.79 0.18 3.41 2.96 -1.12 -4.36 118.68 119.50 3ran s LEU 144 Ca 0.00 -1.72 -0.30 0.00 -0.22 0.00 0.00 54.13 51.89 3ran s LEU 144 Cb 0.00 -1.04 -0.07 0.00 0.50 0.00 0.00 46.19 45.58 3ran s LEU 144 CO 0.00 -0.40 0.99 -1.58 -1.32 0.00 0.00 176.35 174.05 3ran s GLN 145 N 1.46 4.72 -0.11 1.98 2.00 -1.21 -4.67 119.66 123.82 3ran s GLN 145 Ca 0.09 1.55 -0.06 0.00 -2.00 0.00 0.00 55.36 54.94 3ran s GLN 145 Cb -0.18 -3.31 -0.04 0.00 0.80 0.00 0.00 33.01 30.28 3ran s GLN 145 CO -0.20 0.28 0.11 -0.47 -0.50 0.00 0.00 175.29 174.51 3ran s TYR 146 N -0.50 3.52 -0.00 1.67 5.04 -1.26 -0.49 117.35 125.33 3ran s TYR 146 Ca 0.45 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.56 3ran s TYR 146 Cb -0.26 -1.91 -0.00 0.00 0.35 0.00 0.00 41.96 40.14 3ran s TYR 146 CO 0.32 0.69 -0.01 0.71 -1.34 0.00 0.00 175.55 175.92 3ran s TYR 147 N -1.00 0.11 0.12 4.97 2.02 -0.86 -4.96 117.35 117.74 3ran s TYR 147 Ca 0.15 -0.03 -0.30 0.00 -0.37 0.00 0.00 57.07 56.51 3ran s TYR 147 Cb -0.12 -0.07 -0.06 0.00 -0.40 0.00 0.00 41.96 41.30 3ran s TYR 147 CO 0.04 -0.01 1.10 -0.51 -1.57 0.00 0.00 175.55 174.60 3ran s ASP 148 N -0.07 7.25 0.06 2.29 1.01 -1.26 -1.94 116.67 124.01 3ran s ASP 148 Ca 0.00 1.99 0.03 0.00 0.71 0.00 0.00 52.55 55.28 3ran s ASP 148 Cb -0.01 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 3ran s ASP 148 CO -0.00 -0.27 -0.09 -0.63 0.21 0.00 0.00 175.17 174.38 3ran s ILE 149 N 0.26 0.74 -0.28 0.77 -1.09 -0.73 -4.70 121.20 116.17 3ran s ILE 149 Ca 0.52 -1.30 -0.02 0.00 -2.23 0.00 0.00 60.65 57.62 3ran s ILE 149 Cb -0.28 -0.93 0.09 0.00 -1.58 0.00 0.00 42.46 39.76 3ran s ILE 149 CO 0.32 -0.42 0.08 -0.55 -1.23 0.00 0.00 174.94 173.14 3ran s SER 150 N -1.89 3.68 0.20 3.58 0.15 -1.04 -2.67 113.70 115.71 3ran s SER 150 Ca -0.04 -1.37 -0.11 0.00 0.70 0.00 0.00 55.95 55.13 3ran s SER 150 Cb -0.07 -0.75 0.16 0.00 -1.71 0.00 0.00 66.02 63.65 3ran s SER 150 CO 0.00 -0.38 1.84 0.00 1.20 0.00 0.00 173.24 175.90 3ran h ALA 151 N 8.16 0.85 0.00 5.45 0.00 -1.94 -2.28 119.26 129.51 3ran h ALA 151 Ca -0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3ran h ALA 151 Cb 1.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ran h ALA 151 CO 0.43 0.18 -0.08 0.87 0.00 0.00 0.00 179.25 180.66 3ran h LYS 152 N 0.82 0.00 -0.06 0.00 1.79 -1.96 -3.18 116.57 113.97 3ran h LYS 152 Ca 0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 3ran h LYS 152 Cb -0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3ran h LYS 152 CO -0.10 0.08 0.00 -1.13 -1.08 0.00 0.00 179.45 177.22 3ran n SER 153 N -3.24 2.22 -0.90 0.86 3.41 -1.13 -0.78 113.62 114.06 3ran n SER 153 Ca -0.00 -1.61 -0.12 0.00 -0.26 0.00 0.00 58.87 56.89 3ran n SER 153 Cb 0.32 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 3ran n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ran n ASN 154 N 0.75 -4.72 -4.67 4.04 3.02 -0.88 -4.77 115.26 108.03 3ran n ASN 154 Ca 0.08 0.29 -0.42 0.00 -0.03 0.00 0.00 54.58 54.50 3ran n ASN 154 Cb 0.35 -3.26 -0.03 0.00 -0.61 0.00 0.00 39.78 36.23 3ran n ASN 154 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ran s TYR 155 N -2.34 2.66 -1.97 3.10 5.04 -1.07 -2.47 117.35 120.30 3ran s TYR 155 Ca 0.00 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 3ran s TYR 155 Cb 0.00 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 38.64 3ran s TYR 155 CO 0.00 -2.53 0.00 0.09 -1.34 0.00 0.00 175.55 171.77 3ran n ASN 156 N 6.11 -5.72 -0.24 4.32 3.02 -1.26 -2.48 115.26 119.01 3ran n ASN 156 Ca 0.14 0.21 0.01 0.00 -0.03 0.00 0.00 54.58 54.92 3ran n ASN 156 Cb 0.44 -4.88 0.13 0.00 -0.61 0.00 0.00 39.78 34.86 3ran n ASN 156 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3ran h PHE 157 N 0.00 0.61 0.00 3.10 3.57 -1.85 -2.81 116.94 119.57 3ran h PHE 157 Ca -0.46 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 3ran h PHE 157 Cb 1.36 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 3ran h PHE 157 CO 0.57 0.22 -0.15 1.05 -2.23 0.00 0.00 178.31 177.77 3ran h GLU 158 N 0.59 0.00 -0.22 1.11 9.09 -1.91 -3.39 114.58 119.84 3ran h GLU 158 Ca 0.34 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.81 3ran h GLU 158 Cb 0.36 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.40 3ran h GLU 158 CO -0.27 0.15 -0.21 0.87 0.05 0.00 0.00 179.01 179.61 3ran h LYS 159 N 0.00 -0.21 -0.24 1.06 1.79 -1.91 -1.06 116.57 116.00 3ran h LYS 159 Ca -0.00 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.52 3ran h LYS 159 Cb 1.00 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.67 3ran h LYS 159 CO 0.02 -0.14 0.03 -1.35 -1.08 0.00 0.00 179.45 176.93 3ran h PRO 160 N -0.22 0.11 -0.41 3.15 0.11 -1.76 -2.15 132.00 130.84 3ran h PRO 160 Ca 0.13 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.14 3ran h PRO 160 Cb 0.41 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 3ran h PRO 160 CO -0.35 0.08 -0.14 0.74 -0.21 0.00 0.00 178.00 178.12 3ran h PHE 161 N 0.12 0.83 -0.48 0.65 0.04 -1.75 -2.58 116.94 113.77 3ran h PHE 161 Ca 0.11 -0.16 -0.13 0.00 2.80 0.00 0.00 57.97 60.59 3ran h PHE 161 Cb 0.12 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 3ran h PHE 161 CO -0.17 0.85 -0.20 1.25 -0.60 0.00 0.00 178.31 179.44 3ran h LEU 162 N 0.68 1.01 -0.22 1.54 5.85 -1.02 -1.46 115.31 121.69 3ran h LEU 162 Ca 0.11 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 3ran h LEU 162 Cb 0.62 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3ran h LEU 162 CO 0.04 1.18 0.13 -0.25 -0.34 0.00 0.00 178.44 179.20 3ran h TRP 163 N 0.84 0.29 -0.29 1.25 7.01 -1.40 -2.26 115.95 121.38 3ran h TRP 163 Ca 0.11 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.12 3ran h TRP 163 Cb 0.78 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.73 3ran h TRP 163 CO 0.05 0.23 0.18 -0.07 -2.79 0.00 0.00 178.44 176.04 3ran h LEU 164 N 0.27 0.29 -0.83 0.65 3.38 -1.40 -2.61 115.31 115.06 3ran h LEU 164 Ca 0.08 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3ran h LEU 164 Cb 0.02 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3ran h LEU 164 CO -0.01 0.21 0.54 0.00 0.09 0.00 0.00 178.44 179.27 3ran h ALA 165 N 1.13 1.08 -0.58 1.53 0.00 -1.23 -1.28 119.26 119.90 3ran h ALA 165 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ran h ALA 165 Cb -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3ran h ALA 165 CO -0.05 0.40 0.35 0.00 0.00 0.00 0.00 179.25 179.96 3ran h ARG 166 N 1.07 0.79 -0.33 0.00 3.08 -1.27 -2.06 114.38 115.66 3ran h ARG 166 Ca 0.32 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 3ran h ARG 166 Cb -0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3ran h ARG 166 CO -0.09 0.57 0.02 0.87 -1.07 0.00 0.00 179.97 180.26 3ran h LYS 167 N 0.79 0.58 -0.07 0.04 1.79 -1.08 -2.38 116.57 116.23 3ran h LYS 167 Ca 0.21 -0.18 -0.16 0.00 -2.18 0.00 0.00 60.65 58.35 3ran h LYS 167 Cb -0.02 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 30.58 3ran h LYS 167 CO -0.04 0.69 -0.56 -0.07 -1.08 0.00 0.00 179.45 178.39 3ran h LEU 168 N 0.39 0.62 -0.20 2.94 3.38 -1.22 -3.33 115.31 117.89 3ran h LEU 168 Ca 0.10 -0.68 -0.22 0.00 0.09 0.00 0.00 57.88 57.17 3ran h LEU 168 Cb 0.42 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.99 3ran h LEU 168 CO 0.01 1.20 -0.86 0.40 0.09 0.00 0.00 178.44 179.29 3ran h ILE 169 N 0.09 1.34 0.00 1.22 2.04 -1.51 -3.48 117.51 117.21 3ran h ILE 169 Ca -0.05 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.61 3ran h ILE 169 Cb 1.23 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 3ran h ILE 169 CO 0.11 0.67 0.00 0.61 0.00 0.00 0.00 178.15 179.55 3ran n GLY 170 N 0.80 0.86 3.08 5.37 0.00 -0.92 -5.09 105.19 109.30 3ran n GLY 170 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3ran n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ran s ASP 171 N -1.19 3.08 0.51 1.61 -1.08 -1.10 -4.99 116.67 113.51 3ran s ASP 171 Ca 0.00 -0.65 0.31 0.00 -0.52 0.00 0.00 52.55 51.69 3ran s ASP 171 Cb 0.00 -1.39 1.16 0.00 -1.46 0.00 0.00 42.92 41.24 3ran s ASP 171 CO 0.00 -0.03 1.90 1.55 0.52 0.00 0.00 175.17 179.11 3ran h PRO 172 N 7.96 0.00 -0.25 4.34 0.13 -1.98 -2.79 132.00 139.42 3ran h PRO 172 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3ran h PRO 172 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3ran h PRO 172 CO 0.59 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.45 3ran n ASN 173 N -3.03 2.65 -4.72 1.44 3.02 -1.26 -5.00 115.26 108.36 3ran n ASN 173 Ca 0.01 -1.87 -0.42 0.00 -0.03 0.00 0.00 54.58 52.27 3ran n ASN 173 Cb 0.34 -0.16 -0.01 0.00 -0.61 0.00 0.00 39.78 39.34 3ran n ASN 173 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3ran n LEU 174 N 0.98 3.96 -4.19 3.41 7.94 -1.05 -5.03 117.00 123.01 3ran n LEU 174 Ca 0.18 1.20 -0.12 0.00 -1.11 0.00 0.00 56.01 56.16 3ran n LEU 174 Cb 0.49 -1.53 -0.10 0.00 0.53 0.00 0.00 43.42 42.81 3ran n LEU 174 CO 0.15 -0.23 -0.39 -1.61 -1.11 0.00 0.00 177.39 174.20 3ran s GLU 175 N -1.66 0.90 -0.19 1.96 0.41 -1.26 -4.98 118.70 113.87 3ran s GLU 175 Ca 0.57 -1.35 -0.17 0.00 -0.41 0.00 0.00 54.97 53.61 3ran s GLU 175 Cb -0.54 -0.35 -0.04 0.00 -1.78 0.00 0.00 34.13 31.42 3ran s GLU 175 CO 0.60 0.02 0.43 -0.06 -0.49 0.00 0.00 175.26 175.76 3ran s PHE 176 N -3.44 3.39 -0.92 1.61 0.08 -1.26 -1.73 117.98 115.71 3ran s PHE 176 Ca 0.13 0.67 0.26 0.00 0.12 0.00 0.00 56.93 58.10 3ran s PHE 176 Cb 0.04 -2.56 0.62 0.00 -0.57 0.00 0.00 43.02 40.56 3ran s PHE 176 CO -0.03 -0.01 1.51 1.33 -0.10 0.00 0.00 175.22 177.92 3ran n VAL 177 N 4.31 0.09 -3.54 -0.44 0.24 -0.77 -4.88 118.33 113.34 3ran n VAL 177 Ca -0.07 -0.06 -0.15 0.00 -2.04 0.00 0.00 64.34 62.01 3ran n VAL 177 Cb 0.51 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.82 3ran n VAL 177 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ran s ALA 178 N -3.04 -1.82 0.07 2.33 0.00 -1.26 -5.11 121.76 112.94 3ran s ALA 178 Ca 0.11 1.45 -0.11 0.00 0.00 0.00 0.00 51.96 53.40 3ran s ALA 178 Cb 0.17 -0.30 -0.06 0.00 0.00 0.00 0.00 23.12 22.93 3ran s ALA 178 CO 0.67 -0.35 0.42 1.41 0.00 0.00 0.00 175.76 177.91 3ran s MET 179 N -1.05 3.82 0.78 0.00 1.75 -1.26 -4.56 119.30 118.77 3ran s MET 179 Ca -0.07 0.26 -0.14 0.00 -1.25 0.00 0.00 55.69 54.49 3ran s MET 179 Cb -0.01 -3.03 0.06 0.00 2.84 0.00 0.00 34.83 34.69 3ran s MET 179 CO 0.07 0.58 1.17 -0.35 -0.65 0.00 0.00 175.02 175.84 3ran n PRO 180 N 1.08 0.34 -2.15 4.11 -0.04 -1.26 -4.94 135.00 132.15 3ran n PRO 180 Ca -0.09 0.19 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 3ran n PRO 180 Cb 0.52 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.54 3ran n PRO 180 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ran s ALA 181 N -1.99 3.61 0.13 0.55 0.00 -1.26 -5.00 121.76 117.80 3ran s ALA 181 Ca 0.74 0.98 0.08 0.00 0.00 0.00 0.00 51.96 53.77 3ran s ALA 181 Cb -0.31 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 3ran s ALA 181 CO 0.49 -0.93 -0.11 -0.51 0.00 0.00 0.00 175.76 174.70 3ran s LEU 182 N 2.33 2.96 0.22 0.00 1.43 -1.26 -2.91 118.68 121.45 3ran s LEU 182 Ca 0.66 -0.47 -0.32 0.00 -1.03 0.00 0.00 54.13 52.97 3ran s LEU 182 Cb -0.34 -1.73 -0.13 0.00 0.03 0.00 0.00 46.19 44.01 3ran s LEU 182 CO 0.28 0.16 1.50 0.00 0.23 0.00 0.00 176.35 178.52 3ran n ALA 183 N 0.52 1.47 -1.72 4.21 0.00 -0.50 -4.92 120.51 119.57 3ran n ALA 183 Ca -0.13 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 3ran n ALA 183 Cb 0.53 -2.34 -0.01 0.00 0.00 0.00 0.00 19.45 17.63 3ran n ALA 183 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ran n PRO 184 N 2.58 2.40 -1.53 0.00 -0.02 -1.26 -4.88 135.00 132.29 3ran n PRO 184 Ca 0.13 0.85 -0.54 0.00 -2.02 0.00 0.00 63.50 61.92 3ran n PRO 184 Cb 0.31 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.19 3ran n PRO 184 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ran n PRO 185 N 1.35 0.57 -0.01 0.52 -0.02 -1.26 -4.92 135.00 131.23 3ran n PRO 185 Ca 0.07 0.20 0.08 0.00 -2.02 0.00 0.00 63.50 61.83 3ran n PRO 185 Cb 0.36 -1.69 -0.15 0.00 -0.02 0.00 0.00 33.50 32.00 3ran n PRO 185 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ran n GLU 186 N 1.78 0.66 -4.31 -0.52 1.02 0.04 -4.99 120.64 114.32 3ran n GLU 186 Ca 0.18 -0.13 -0.16 0.00 -0.02 0.00 0.00 57.16 57.03 3ran n GLU 186 Cb 0.16 -1.56 -0.10 0.00 -0.02 0.00 0.00 31.44 29.92 3ran n GLU 186 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3ran s VAL 187 N -3.37 1.14 -0.19 2.62 -7.23 -1.23 -5.04 120.40 107.10 3ran s VAL 187 Ca -0.07 -2.06 -0.10 0.00 -1.81 0.00 0.00 61.98 57.94 3ran s VAL 187 Cb 0.12 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 3ran s VAL 187 CO 0.88 -0.48 0.14 -0.69 -0.31 0.00 0.00 175.10 174.65 3ran s VAL 188 N -3.35 5.40 -0.45 1.32 1.01 -1.26 -4.40 120.40 118.67 3ran s VAL 188 Ca 0.24 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 62.21 3ran s VAL 188 Cb 0.04 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.97 3ran s VAL 188 CO 0.06 0.44 0.83 -0.32 0.00 0.00 0.00 175.10 176.11 3ran s MET 189 N 0.31 3.44 -0.02 2.72 1.75 -1.26 -4.93 119.30 121.32 3ran s MET 189 Ca 0.09 -0.02 -0.34 0.00 -1.25 0.00 0.00 55.69 54.17 3ran s MET 189 Cb -0.11 -3.94 -0.12 0.00 2.84 0.00 0.00 34.83 33.50 3ran s MET 189 CO -0.01 -1.16 1.82 -3.47 -0.65 0.00 0.00 175.02 171.55 3ran n ASP 190 N 6.87 3.42 -0.24 1.11 -0.08 -1.26 -4.90 116.55 121.47 3ran n ASP 190 Ca 0.04 0.99 -0.05 0.00 -1.51 0.00 0.00 54.79 54.26 3ran n ASP 190 Cb 0.48 -1.40 0.11 0.00 2.34 0.00 0.00 41.12 42.66 3ran n ASP 190 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ran h PRO 191 N 8.54 1.08 -0.06 -0.67 0.11 -1.99 -0.09 132.00 138.91 3ran h PRO 191 Ca -0.48 -0.20 -0.12 0.00 0.11 0.00 0.00 66.00 65.32 3ran h PRO 191 Cb 1.26 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3ran h PRO 191 CO 0.93 0.89 -0.50 0.00 -0.21 0.00 0.00 178.00 179.11 3ran h ALA 192 N 1.24 1.05 -0.33 -0.75 0.00 -2.00 -2.42 119.26 116.05 3ran h ALA 192 Ca 0.24 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 3ran h ALA 192 Cb 0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ran h ALA 192 CO -0.02 0.65 -0.36 1.25 0.00 0.00 0.00 179.25 180.77 3ran h LEU 193 N 0.12 0.88 -0.28 0.00 7.12 -1.75 -2.44 115.31 118.96 3ran h LEU 193 Ca 0.00 -0.48 0.06 0.00 0.13 0.00 0.00 57.88 57.60 3ran h LEU 193 Cb 0.93 -0.25 -0.06 0.00 -0.53 0.00 0.00 40.66 40.75 3ran h LEU 193 CO 0.07 1.18 -0.13 0.00 -0.13 0.00 0.00 178.44 179.43 3ran h ALA 194 N 0.73 0.09 -0.56 1.25 0.00 -0.95 -2.48 119.26 117.34 3ran h ALA 194 Ca 0.05 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3ran h ALA 194 Cb 0.94 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3ran h ALA 194 CO 0.09 -0.53 0.13 0.00 0.00 0.00 0.00 179.25 178.94 3ran h ALA 195 N 1.13 0.74 -0.42 0.00 0.00 -1.47 -2.41 119.26 116.82 3ran h ALA 195 Ca 0.14 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3ran h ALA 195 Cb 0.31 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3ran h ALA 195 CO -0.34 0.44 -0.01 0.37 0.00 0.00 0.00 179.25 179.72 3ran h GLN 196 N 0.80 0.10 -0.17 0.00 4.15 -1.13 -1.04 115.11 117.81 3ran h GLN 196 Ca 0.17 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.50 3ran h GLN 196 Cb 0.35 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 3ran h GLN 196 CO 0.00 0.06 -0.29 1.88 -1.93 0.00 0.00 178.83 178.56 3ran h TYR 197 N 0.10 0.37 -0.21 3.99 0.05 -1.41 0.10 116.97 119.97 3ran h TYR 197 Ca 0.21 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 3ran h TYR 197 Cb 0.30 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 3ran h TYR 197 CO -0.28 0.59 0.10 0.93 -1.05 0.00 0.00 178.16 178.45 3ran h GLU 198 N 0.29 0.30 -0.10 4.88 5.08 -1.13 -2.14 114.58 121.77 3ran h GLU 198 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ran h GLU 198 Cb 0.67 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3ran h GLU 198 CO 0.05 0.32 0.05 1.25 -1.00 0.00 0.00 179.01 179.68 3ran h HIS 199 N 0.21 0.10 -0.88 4.33 2.76 -0.95 -2.67 115.15 118.05 3ran h HIS 199 Ca 0.07 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.37 3ran h HIS 199 Cb 0.12 -0.03 -0.07 0.00 1.55 0.00 0.00 27.41 28.98 3ran h HIS 199 CO -0.02 0.06 0.57 -0.44 -1.30 0.00 0.00 177.93 176.79 3ran h ASP 200 N 0.11 0.69 -0.07 3.26 3.32 -0.68 -1.71 116.42 121.35 3ran h ASP 200 Ca 0.04 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 56.92 3ran h ASP 200 Cb 0.00 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3ran h ASP 200 CO -0.02 0.37 -0.70 -0.07 -1.72 0.00 0.00 179.24 177.09 3ran h LEU 201 N 0.74 0.82 -0.45 1.55 3.38 -1.27 -2.28 115.31 117.80 3ran h LEU 201 Ca 0.43 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3ran h LEU 201 Cb 0.61 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3ran h LEU 201 CO -0.19 1.29 0.23 -0.08 0.09 0.00 0.00 178.44 179.77 3ran h GLU 202 N 0.50 0.63 -0.70 1.13 4.81 -1.10 0.25 114.58 120.10 3ran h GLU 202 Ca -0.03 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3ran h GLU 202 Cb 1.31 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 3ran h GLU 202 CO 0.14 0.53 0.46 0.28 -0.73 0.00 0.00 179.01 179.68 3ran h VAL 203 N 0.58 1.18 -0.13 0.32 2.07 -1.41 -2.61 116.25 116.26 3ran h VAL 203 Ca 0.16 -0.35 -0.18 0.00 0.82 0.00 0.00 66.70 67.15 3ran h VAL 203 Cb 0.09 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3ran h VAL 203 CO -0.02 0.18 -0.66 0.00 0.02 0.00 0.00 177.57 177.09 3ran h ALA 204 N 1.25 0.62 -0.05 1.67 0.00 -1.11 -3.33 119.26 118.31 3ran h ALA 204 Ca 0.26 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3ran h ALA 204 Cb -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ran h ALA 204 CO -0.05 0.72 0.00 1.04 0.00 0.00 0.00 179.25 180.96 3ran n GLN 205 N -3.89 0.00 0.00 0.00 1.13 0.05 -4.99 117.38 109.68 3ran n GLN 205 Ca -0.04 0.49 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 3ran n GLN 205 Cb 0.67 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.57 3ran n GLN 205 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87