#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6p n GLN 8 N 0.00 0.00 0.15 0.54 7.27 -1.26 -4.84 117.38 119.24 3a6p n GLN 8 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.93 3a6p n GLN 8 Cb 0.00 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 3a6p n GLN 8 CO 0.00 0.00 0.00 -0.39 0.07 0.00 0.00 177.06 176.74 3a6p h VAL 9 N 0.00 0.77 -4.27 1.69 -1.51 -1.96 -3.49 116.25 107.49 3a6p h VAL 9 Ca 0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3a6p h VAL 9 Cb 0.00 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 3a6p h VAL 9 CO 0.00 0.10 -0.91 1.67 -1.23 0.00 0.00 177.57 177.20 3a6p n GLN 10 N -5.14 -5.21 -4.22 5.19 7.27 -1.26 -4.92 117.38 109.09 3a6p n GLN 10 Ca -0.10 3.74 -0.19 0.00 0.07 0.00 0.00 57.00 60.52 3a6p n GLN 10 Cb 0.24 -4.16 -0.12 0.00 2.41 0.00 0.00 30.24 28.61 3a6p n GLN 10 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 3a6p s PHE 11 N -0.51 1.27 -0.25 3.69 0.08 -0.57 -4.95 117.98 116.75 3a6p s PHE 11 Ca 0.00 -0.43 -0.17 0.00 0.12 0.00 0.00 56.93 56.44 3a6p s PHE 11 Cb 0.00 -0.72 -0.03 0.00 -0.57 0.00 0.00 43.02 41.70 3a6p s PHE 11 CO 0.00 0.06 0.48 0.21 -0.10 0.00 0.00 175.22 175.87 3a6p s LYS 12 N -1.63 4.08 -0.11 0.44 2.20 -1.26 -0.18 119.74 123.28 3a6p s LYS 12 Ca -0.01 0.27 0.03 0.00 -0.36 0.00 0.00 55.97 55.90 3a6p s LYS 12 Cb -0.10 -3.63 -0.00 0.00 -1.51 0.00 0.00 37.83 32.59 3a6p s LYS 12 CO 0.02 -0.28 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.35 3a6p s LEU 13 N 2.08 2.23 -0.18 5.43 2.96 0.23 -1.91 118.68 129.51 3a6p s LEU 13 Ca 0.20 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3a6p s LEU 13 Cb -0.16 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 3a6p s LEU 13 CO 0.09 0.15 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.55 3a6p s VAL 14 N 0.44 3.78 -0.26 1.68 1.01 -0.24 0.63 120.40 127.44 3a6p s VAL 14 Ca -0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 3a6p s VAL 14 Cb -0.17 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.55 3a6p s VAL 14 CO 0.06 0.45 -0.04 -0.22 0.00 0.00 0.00 175.10 175.35 3a6p s LEU 15 N 0.82 3.36 0.20 3.92 2.96 -0.74 -0.00 118.68 129.20 3a6p s LEU 15 Ca -0.01 -0.95 0.10 0.00 -0.22 0.00 0.00 54.13 53.05 3a6p s LEU 15 Cb -0.14 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 3a6p s LEU 15 CO 0.02 -0.16 -0.19 0.68 -1.32 0.00 0.00 176.35 175.38 3a6p s VAL 16 N 1.31 2.03 0.00 1.68 -7.23 -0.69 -2.65 120.40 114.86 3a6p s VAL 16 Ca -0.01 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 3a6p s VAL 16 Cb -0.17 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.75 3a6p s VAL 16 CO -0.03 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.03 3a6p n GLY 17 N 0.01 2.03 3.69 2.32 0.00 -1.26 -0.75 105.19 111.23 3a6p n GLY 17 Ca -0.11 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 3a6p n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a6p s ASP 18 N 0.00 3.24 0.05 1.61 1.01 -1.25 -3.76 116.67 117.57 3a6p s ASP 18 Ca 0.00 1.90 -0.31 0.00 0.71 0.00 0.00 52.55 54.85 3a6p s ASP 18 Cb 0.00 -2.46 -0.07 0.00 1.01 0.00 0.00 42.92 41.39 3a6p s ASP 18 CO 0.00 -2.85 1.57 -0.83 0.21 0.00 0.00 175.17 173.27 3a6p s GLY 19 N -2.98 1.65 0.00 0.21 0.00 -1.20 -3.13 107.32 101.86 3a6p s GLY 19 Ca 0.65 1.11 0.00 0.00 0.00 0.00 0.00 44.72 46.48 3a6p s GLY 19 CO 0.58 2.76 0.00 0.61 0.00 0.00 0.00 173.10 177.05 3a6p n GLY 20 N 3.87 0.84 0.20 0.20 0.00 -1.26 -4.95 105.19 104.09 3a6p n GLY 20 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 3a6p n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a6p n THR 21 N -2.26 0.00 -1.34 2.61 -2.24 -1.19 -4.93 114.28 104.94 3a6p n THR 21 Ca 0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3a6p n THR 21 Cb 0.00 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3a6p n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a6p n GLY 22 N 1.18 0.51 0.12 3.38 0.00 -1.26 -4.67 105.19 104.45 3a6p n GLY 22 Ca 0.18 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 3a6p n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a6p h LYS 23 N 0.00 0.31 -0.20 1.61 1.57 -1.91 -3.02 116.57 114.93 3a6p h LYS 23 Ca 0.00 -0.53 -0.08 0.00 -1.87 0.00 0.00 60.65 58.17 3a6p h LYS 23 Cb 0.66 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 3a6p h LYS 23 CO 0.00 1.25 -0.23 1.15 -0.57 0.00 0.00 179.45 181.05 3a6p h THR 24 N -0.33 1.25 0.04 -0.16 2.02 -1.96 -2.90 112.91 110.87 3a6p h THR 24 Ca -0.16 -1.15 -0.25 0.00 0.77 0.00 0.00 66.41 65.61 3a6p h THR 24 Cb 1.69 1.35 0.01 0.00 -1.74 0.00 0.00 68.15 69.46 3a6p h THR 24 CO 0.15 0.36 -1.06 0.74 0.37 0.00 0.00 175.52 176.08 3a6p h THR 25 N 0.32 1.37 -0.86 3.16 2.02 -1.95 -1.29 112.91 115.69 3a6p h THR 25 Ca 0.05 -2.50 0.09 0.00 0.77 0.00 0.00 66.41 64.82 3a6p h THR 25 Cb 0.59 2.54 -0.06 0.00 -1.74 0.00 0.00 68.15 69.48 3a6p h THR 25 CO 0.04 0.75 0.56 0.15 0.37 0.00 0.00 175.52 177.39 3a6p h PHE 26 N 0.24 0.92 0.09 3.16 3.57 -1.38 -2.23 116.94 121.31 3a6p h PHE 26 Ca -0.12 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.22 3a6p h PHE 26 Cb 1.72 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 40.17 3a6p h PHE 26 CO 0.08 0.43 -0.94 0.28 -2.23 0.00 0.00 178.31 175.93 3a6p h VAL 27 N 0.86 1.33 -0.88 1.41 2.07 -1.34 -3.01 116.25 116.69 3a6p h VAL 27 Ca 0.39 -2.42 0.17 0.00 0.82 0.00 0.00 66.70 65.67 3a6p h VAL 27 Cb 0.39 2.96 -0.07 0.00 -1.52 0.00 0.00 31.29 33.05 3a6p h VAL 27 CO -0.16 0.66 0.58 0.50 0.02 0.00 0.00 177.57 179.16 3a6p h LYS 28 N -0.51 0.51 0.00 1.57 3.64 -1.20 -0.07 116.57 120.51 3a6p h LYS 28 Ca -0.20 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3a6p h LYS 28 Cb 1.55 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3a6p h LYS 28 CO 0.06 0.33 0.00 -2.13 -2.27 0.00 0.00 179.45 175.44 3a6p n ARG 29 N -4.54 0.00 -0.34 1.90 0.63 -0.84 -1.39 116.66 112.08 3a6p n ARG 29 Ca 0.18 0.50 0.08 0.00 -0.92 0.00 0.00 57.85 57.69 3a6p n ARG 29 Cb 0.59 -1.39 0.17 0.00 0.45 0.00 0.00 32.46 32.29 3a6p n ARG 29 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3a6p n HIS 30 N -1.99 0.42 0.01 -0.14 8.25 -1.06 0.21 115.22 120.90 3a6p n HIS 30 Ca 0.00 1.15 -0.00 0.00 -0.26 0.00 0.00 57.72 58.60 3a6p n HIS 30 Cb 0.00 -1.09 -0.00 0.00 1.12 0.00 0.00 29.99 30.01 3a6p n HIS 30 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3a6p h LEU 31 N 0.00 -0.02 0.03 2.41 7.12 -1.08 -3.40 115.31 120.37 3a6p h LEU 31 Ca 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.50 3a6p h LEU 31 Cb 0.83 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.97 3a6p h LEU 31 CO -0.95 -0.01 -0.01 0.71 -0.13 0.00 0.00 178.44 178.05 3a6p h THR 32 N -0.02 1.38 0.00 1.05 1.35 -1.14 -3.49 112.91 112.04 3a6p h THR 32 Ca -0.00 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.04 3a6p h THR 32 Cb 0.01 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3a6p h THR 32 CO 0.00 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 3a6p n GLY 33 N 1.27 1.50 3.49 5.82 0.00 0.56 -5.02 105.19 112.80 3a6p n GLY 33 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 3a6p n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a6p s GLU 34 N -0.10 1.77 -0.20 1.61 2.02 -1.25 -4.97 118.70 117.58 3a6p s GLU 34 Ca 0.00 -1.33 -0.15 0.00 0.02 0.00 0.00 54.97 53.52 3a6p s GLU 34 Cb 0.00 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 32.16 3a6p s GLU 34 CO 0.00 0.44 0.34 0.12 0.02 0.00 0.00 175.26 176.17 3a6p s PHE 35 N -1.50 3.38 -0.05 1.61 2.19 -1.26 -3.36 117.98 119.00 3a6p s PHE 35 Ca 0.21 0.54 -0.14 0.00 0.33 0.00 0.00 56.93 57.87 3a6p s PHE 35 Cb -0.09 -2.45 -0.05 0.00 -1.31 0.00 0.00 43.02 39.12 3a6p s PHE 35 CO 0.11 0.05 0.37 -2.00 1.83 0.00 0.00 175.22 175.58 3a6p s GLU 36 N 1.12 3.96 -0.27 10.12 2.56 -1.26 -5.01 118.70 129.92 3a6p s GLU 36 Ca 0.16 0.31 -0.14 0.00 0.00 0.00 0.00 54.97 55.30 3a6p s GLU 36 Cb -0.14 -3.27 -0.13 0.00 2.00 0.00 0.00 34.13 32.59 3a6p s GLU 36 CO 0.07 0.58 -0.26 1.63 -0.56 0.00 0.00 175.26 176.71 3a6p n LYS 37 N 2.28 0.59 -2.65 4.30 5.02 -1.26 -4.96 118.16 121.48 3a6p n LYS 37 Ca -0.14 0.30 -0.39 0.00 -2.02 0.00 0.00 58.31 56.06 3a6p n LYS 37 Cb 0.52 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.95 3a6p n LYS 37 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3a6p s LYS 38 N -2.49 4.69 -1.25 1.97 3.01 -1.26 -4.97 119.74 119.44 3a6p s LYS 38 Ca -0.37 1.56 -0.16 0.00 -1.01 0.00 0.00 55.97 55.99 3a6p s LYS 38 Cb 0.13 -3.11 0.12 0.00 -1.01 0.00 0.00 37.83 33.96 3a6p s LYS 38 CO 0.51 0.33 1.58 -0.47 0.51 0.00 0.00 175.35 177.81 3a6p s TYR 39 N -1.29 3.13 -0.27 3.18 5.04 -1.26 -4.97 117.35 120.92 3a6p s TYR 39 Ca 0.45 -1.86 -0.28 0.00 -2.44 0.00 0.00 57.07 52.94 3a6p s TYR 39 Cb -0.26 -4.54 0.01 0.00 0.35 0.00 0.00 41.96 37.52 3a6p s TYR 39 CO 0.33 -1.61 0.98 0.08 -1.34 0.00 0.00 175.55 174.00 3a6p s VAL 40 N 2.92 4.67 0.18 3.14 1.01 -1.26 -4.99 120.40 126.07 3a6p s VAL 40 Ca 0.48 1.76 -0.31 0.00 0.00 0.00 0.00 61.98 63.92 3a6p s VAL 40 Cb 0.00 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 3a6p s VAL 40 CO 0.04 -0.26 1.46 0.00 0.00 0.00 0.00 175.10 176.34 3a6p s ALA 41 N 3.24 3.66 0.40 5.51 0.00 -1.26 -4.99 121.76 128.33 3a6p s ALA 41 Ca 0.41 1.27 -0.25 0.00 0.00 0.00 0.00 51.96 53.39 3a6p s ALA 41 Cb -0.14 -3.57 -0.08 0.00 0.00 0.00 0.00 23.12 19.33 3a6p s ALA 41 CO 0.10 -0.70 1.13 0.99 0.00 0.00 0.00 175.76 177.27 3a6p s THR 42 N 0.72 3.34 -0.39 0.00 2.01 -1.26 -5.04 115.64 115.02 3a6p s THR 42 Ca 0.64 1.09 0.04 0.00 0.31 0.00 0.00 61.69 63.77 3a6p s THR 42 Cb -0.41 -3.59 0.11 0.00 0.01 0.00 0.00 72.50 68.62 3a6p s THR 42 CO 0.35 0.06 0.12 -0.76 -0.69 0.00 0.00 174.62 173.70 3a6p s LEU 43 N -2.56 4.43 0.00 4.42 1.02 -1.26 -4.73 118.68 120.00 3a6p s LEU 43 Ca 0.58 -2.40 0.00 0.00 0.02 0.00 0.00 54.13 52.32 3a6p s LEU 43 Cb -0.28 -1.57 0.00 0.00 0.02 0.00 0.00 46.19 44.36 3a6p s LEU 43 CO 0.35 -0.33 0.00 0.61 0.02 0.00 0.00 176.35 176.99 3a6p n GLY 44 N 3.92 1.11 3.52 -3.19 0.00 0.13 -4.83 105.19 105.85 3a6p n GLY 44 Ca 0.04 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 3a6p n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a6p s VAL 45 N 0.00 0.00 -0.21 1.61 0.11 -1.26 -1.46 120.40 119.19 3a6p s VAL 45 Ca 0.00 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 3a6p s VAL 45 Cb 0.00 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.92 3a6p s VAL 45 CO 0.00 0.00 0.04 -1.61 -3.33 0.00 0.00 175.10 170.20 3a6p s GLU 46 N -1.50 0.66 -0.01 1.54 0.41 -0.87 -4.93 118.70 114.00 3a6p s GLU 46 Ca -0.08 -0.51 -0.30 0.00 -0.41 0.00 0.00 54.97 53.67 3a6p s GLU 46 Cb -0.00 -2.08 -0.03 0.00 -1.78 0.00 0.00 34.13 30.24 3a6p s GLU 46 CO 0.06 -0.69 1.05 0.08 -0.49 0.00 0.00 175.26 175.27 3a6p s VAL 47 N 1.83 4.62 -0.06 2.63 1.01 -1.26 -2.68 120.40 126.50 3a6p s VAL 47 Ca 0.00 1.89 0.03 0.00 0.00 0.00 0.00 61.98 63.90 3a6p s VAL 47 Cb -0.17 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.00 3a6p s VAL 47 CO -0.11 0.11 -0.15 -1.00 0.00 0.00 0.00 175.10 173.95 3a6p s HIS 48 N 1.31 1.61 0.02 5.22 3.76 0.11 -4.91 115.29 122.42 3a6p s HIS 48 Ca 0.53 -0.56 -0.21 0.00 -0.15 0.00 0.00 55.06 54.67 3a6p s HIS 48 Cb -0.23 -1.14 -0.06 0.00 1.11 0.00 0.00 32.58 32.27 3a6p s HIS 48 CO 0.26 -0.25 0.62 -1.25 -0.85 0.00 0.00 174.74 173.27 3a6p s PRO 49 N 0.42 4.33 -0.08 8.40 0.05 -1.26 -0.54 135.00 146.33 3a6p s PRO 49 Ca -0.11 0.80 0.01 0.00 0.05 0.00 0.00 61.00 61.75 3a6p s PRO 49 Cb -0.14 -3.32 0.02 0.00 0.05 0.00 0.00 34.50 31.10 3a6p s PRO 49 CO 0.04 0.41 -0.08 -0.51 0.05 0.00 0.00 177.00 176.92 3a6p s LEU 50 N -0.38 1.31 -0.08 -3.56 1.43 0.62 -4.92 118.68 113.09 3a6p s LEU 50 Ca 0.32 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 3a6p s LEU 50 Cb -0.19 -0.71 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 3a6p s LEU 50 CO 0.19 -0.06 0.04 -0.69 0.23 0.00 0.00 176.35 176.06 3a6p s VAL 51 N 1.21 4.62 -0.28 -1.59 1.01 -1.26 0.61 120.40 124.72 3a6p s VAL 51 Ca -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 3a6p s VAL 51 Cb -0.14 -2.98 0.09 0.00 0.00 0.00 0.00 36.38 33.35 3a6p s VAL 51 CO -0.02 0.57 0.09 -0.36 0.00 0.00 0.00 175.10 175.38 3a6p s PHE 52 N -0.96 1.26 -0.61 5.22 0.40 0.14 -4.94 117.98 118.49 3a6p s PHE 52 Ca 0.15 -1.36 -0.27 0.00 -0.60 0.00 0.00 56.93 54.85 3a6p s PHE 52 Cb -0.12 -1.39 -0.01 0.00 0.51 0.00 0.00 43.02 42.02 3a6p s PHE 52 CO 0.04 -0.81 1.68 -1.01 0.70 0.00 0.00 175.22 175.82 3a6p s HIS 53 N 1.77 1.89 0.67 0.36 3.76 -1.26 -2.07 115.29 120.40 3a6p s HIS 53 Ca 0.07 0.57 0.01 0.00 -0.15 0.00 0.00 55.06 55.56 3a6p s HIS 53 Cb -0.17 -4.24 0.13 0.00 1.11 0.00 0.00 32.58 29.41 3a6p s HIS 53 CO -0.24 -2.26 0.91 0.25 -0.85 0.00 0.00 174.74 172.56 3a6p n THR 54 N 7.02 0.00 0.73 1.30 -2.24 0.98 -4.77 114.28 117.30 3a6p n THR 54 Ca 0.16 -1.51 0.07 0.00 -2.27 0.00 0.00 64.05 60.50 3a6p n THR 54 Cb 0.51 -0.88 0.39 0.00 -2.10 0.00 0.00 70.33 68.24 3a6p n THR 54 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3a6p n ASN 55 N -2.85 0.00 -0.14 3.42 6.94 -1.05 -2.32 115.26 119.27 3a6p n ASN 55 Ca 0.15 0.03 0.07 0.00 -0.02 0.00 0.00 54.58 54.81 3a6p n ASN 55 Cb 0.55 -0.26 0.11 0.00 -2.36 0.00 0.00 39.78 37.82 3a6p n ASN 55 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3a6p n ARG 56 N -1.26 1.98 0.00 -3.83 5.12 -1.26 -5.03 116.66 112.37 3a6p n ARG 56 Ca 0.07 -2.26 0.00 0.00 -1.93 0.00 0.00 57.85 53.73 3a6p n ARG 56 Cb 0.11 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 3a6p n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a6p n GLY 57 N -1.02 -1.16 3.78 -0.13 0.00 -0.98 -4.98 105.19 100.71 3a6p n GLY 57 Ca 0.12 -2.23 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 3a6p n GLY 57 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a6p s PRO 58 N -0.77 4.07 -0.04 1.61 0.02 -1.26 -0.02 135.00 138.62 3a6p s PRO 58 Ca 0.00 1.50 0.01 0.00 0.02 0.00 0.00 61.00 62.53 3a6p s PRO 58 Cb 0.00 -2.45 0.02 0.00 0.02 0.00 0.00 34.50 32.09 3a6p s PRO 58 CO 0.00 -0.22 -0.03 0.42 -0.33 0.00 0.00 177.00 176.83 3a6p s ILE 59 N -1.71 0.43 0.13 2.83 -1.09 -0.88 -4.15 121.20 116.77 3a6p s ILE 59 Ca 0.60 -0.08 0.06 0.00 -2.23 0.00 0.00 60.65 59.00 3a6p s ILE 59 Cb -0.21 -0.47 -0.04 0.00 -1.58 0.00 0.00 42.46 40.16 3a6p s ILE 59 CO 0.27 0.19 -0.01 -0.75 -1.23 0.00 0.00 174.94 173.41 3a6p s LYS 60 N 0.83 2.41 -0.12 2.79 2.36 -1.26 0.24 119.74 126.99 3a6p s LYS 60 Ca -0.10 -1.00 -0.02 0.00 -2.55 0.00 0.00 55.97 52.30 3a6p s LYS 60 Cb -0.13 -2.42 0.04 0.00 -1.05 0.00 0.00 37.83 34.27 3a6p s LYS 60 CO -0.00 0.49 0.01 -0.06 1.55 0.00 0.00 175.35 177.34 3a6p s PHE 61 N -1.50 0.88 -0.51 4.03 0.08 0.20 -1.51 117.98 119.66 3a6p s PHE 61 Ca 0.26 -0.48 -0.20 0.00 0.12 0.00 0.00 56.93 56.62 3a6p s PHE 61 Cb -0.10 -0.93 0.05 0.00 -0.57 0.00 0.00 43.02 41.47 3a6p s PHE 61 CO 0.18 -0.45 0.70 -0.80 -0.10 0.00 0.00 175.22 174.75 3a6p s ASN 62 N 1.90 6.26 -0.26 1.36 0.01 0.75 -0.28 114.94 124.68 3a6p s ASN 62 Ca 0.03 -0.72 -0.10 0.00 -0.71 0.00 0.00 52.86 51.36 3a6p s ASN 62 Cb -0.14 -2.33 -0.05 0.00 0.41 0.00 0.00 41.25 39.15 3a6p s ASN 62 CO -0.07 -0.96 0.16 -0.69 -1.51 0.00 0.00 177.10 174.04 3a6p s VAL 63 N 2.96 5.12 -0.60 1.60 1.01 0.30 0.74 120.40 131.53 3a6p s VAL 63 Ca 0.19 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 3a6p s VAL 63 Cb -0.17 -3.42 0.14 0.00 0.00 0.00 0.00 36.38 32.93 3a6p s VAL 63 CO 0.14 0.29 0.59 0.26 0.00 0.00 0.00 175.10 176.38 3a6p s TRP 64 N 1.56 3.27 -1.04 5.22 0.52 0.21 0.10 118.94 128.77 3a6p s TRP 64 Ca 0.07 -1.32 -0.18 0.00 0.02 0.00 0.00 56.10 54.68 3a6p s TRP 64 Cb -0.15 -3.85 0.13 0.00 -1.15 0.00 0.00 33.47 28.44 3a6p s TRP 64 CO 0.08 -1.08 1.30 0.34 0.02 0.00 0.00 176.95 177.61 3a6p s ASP 65 N 3.41 6.75 0.05 2.95 2.15 -1.09 -1.80 116.67 129.09 3a6p s ASP 65 Ca 0.07 -2.25 -0.24 0.00 0.43 0.00 0.00 52.55 50.56 3a6p s ASP 65 Cb -0.26 -2.44 -0.06 0.00 -0.30 0.00 0.00 42.92 39.87 3a6p s ASP 65 CO 0.02 -1.05 0.74 0.42 -0.17 0.00 0.00 175.17 175.13 3a6p s THR 66 N 2.82 4.72 -0.20 1.71 -4.23 -1.08 -2.06 115.64 117.32 3a6p s THR 66 Ca 0.39 1.57 -0.29 0.00 -1.18 0.00 0.00 61.69 62.18 3a6p s THR 66 Cb -0.03 -4.09 0.00 0.00 1.34 0.00 0.00 72.50 69.73 3a6p s THR 66 CO -0.06 0.39 1.11 0.00 -0.54 0.00 0.00 174.62 175.53 3a6p s ALA 67 N -0.22 3.66 -1.15 3.99 0.00 -0.53 -4.70 121.76 122.82 3a6p s ALA 67 Ca 0.37 0.28 0.15 0.00 0.00 0.00 0.00 51.96 52.76 3a6p s ALA 67 Cb -0.20 -3.56 0.60 0.00 0.00 0.00 0.00 23.12 19.95 3a6p s ALA 67 CO 0.22 -1.06 1.48 0.41 0.00 0.00 0.00 175.76 176.81 3a6p n GLY 68 N 3.40 2.28 3.72 0.00 0.00 -1.25 -3.97 105.19 109.38 3a6p n GLY 68 Ca 0.12 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 3a6p n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3a6p s GLN 69 N -1.85 4.59 0.22 1.61 -0.44 -1.26 -3.26 119.66 119.28 3a6p s GLN 69 Ca 0.42 1.47 -0.15 0.00 -2.50 0.00 0.00 55.36 54.61 3a6p s GLN 69 Cb 0.28 -3.42 0.26 0.00 -1.64 0.00 0.00 33.01 28.49 3a6p s GLN 69 CO 0.20 0.02 1.58 1.49 0.50 0.00 0.00 175.29 179.08 3a6p h GLU 70 N 6.34 -0.05 -1.03 1.67 4.57 -1.99 -2.14 114.58 121.96 3a6p h GLU 70 Ca -0.42 0.00 -0.44 0.00 -1.18 0.00 0.00 59.36 57.33 3a6p h GLU 70 Cb 1.22 0.01 -0.25 0.00 -0.16 0.00 0.00 28.75 29.57 3a6p h GLU 70 CO 0.74 -0.03 0.56 1.63 -1.18 0.00 0.00 179.01 180.73 3a6p n LYS 71 N -5.49 2.06 0.00 1.92 4.76 -1.26 -4.22 118.16 115.93 3a6p n LYS 71 Ca 0.09 -2.47 0.00 0.00 -2.87 0.00 0.00 58.31 53.06 3a6p n LYS 71 Cb 0.39 -1.97 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 3a6p n LYS 71 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3a6p n PHE 72 N -0.79 0.00 -2.74 2.13 3.01 -0.81 -5.07 117.46 113.18 3a6p n PHE 72 Ca 0.49 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.58 3a6p n PHE 72 Cb 1.34 0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 40.76 3a6p n PHE 72 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3a6p s GLY 73 N 0.00 2.76 0.00 1.37 0.00 -1.18 0.20 107.32 110.46 3a6p s GLY 73 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.27 3a6p s GLY 73 CO 0.00 0.97 0.00 0.61 0.00 0.00 0.00 173.10 174.68 3a6p n GLY 74 N 0.43 0.31 0.07 0.20 0.00 -1.26 -4.59 105.19 100.34 3a6p n GLY 74 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3a6p n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a6p n LEU 75 N -0.60 0.68 0.00 0.99 4.32 -1.26 -4.99 117.00 116.14 3a6p n LEU 75 Ca 0.00 0.34 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 3a6p n LEU 75 Cb 0.00 -0.25 0.00 0.00 -1.62 0.00 0.00 43.42 41.55 3a6p n LEU 75 CO 0.00 -0.08 0.00 0.54 -1.22 0.00 0.00 177.39 176.63 3a6p n ARG 76 N -2.08 0.00 -0.33 3.23 3.00 -1.26 -1.47 116.66 117.75 3a6p n ARG 76 Ca 0.04 0.00 0.31 0.00 -0.01 0.00 0.00 57.85 58.20 3a6p n ARG 76 Cb 0.42 0.00 0.67 0.00 0.00 0.00 0.00 32.46 33.55 3a6p n ARG 76 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 3a6p h ASP 77 N 0.00 0.15 0.42 0.55 5.19 -1.96 -0.68 116.42 120.08 3a6p h ASP 77 Ca 0.00 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 3a6p h ASP 77 Cb 0.00 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.52 3a6p h ASP 77 CO 0.00 0.02 -0.16 1.23 -3.12 0.00 0.00 179.24 177.21 3a6p h GLY 78 N 0.13 0.00 2.00 2.75 0.00 -1.66 -2.27 103.07 104.01 3a6p h GLY 78 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 3a6p h GLY 78 CO -0.12 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.45 3a6p h TYR 79 N 0.00 0.00 0.00 5.60 0.05 -1.35 -2.70 116.97 118.57 3a6p h TYR 79 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3a6p h TYR 79 Cb 0.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.16 3a6p h TYR 79 CO 0.00 0.00 0.00 0.66 -1.05 0.00 0.00 178.16 177.77 3a6p n TYR 80 N -2.84 0.00 -2.08 4.88 4.01 -0.85 -4.81 117.16 115.46 3a6p n TYR 80 Ca 0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.36 3a6p n TYR 80 Cb 0.41 -0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 39.28 3a6p n TYR 80 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3a6p s ILE 81 N -2.29 2.86 -1.76 -0.72 1.01 -1.02 -2.20 121.20 117.08 3a6p s ILE 81 Ca 0.38 0.71 -0.17 0.00 0.00 0.00 0.00 60.65 61.57 3a6p s ILE 81 Cb 0.21 -3.45 0.16 0.00 0.01 0.00 0.00 42.46 39.39 3a6p s ILE 81 CO 0.41 0.11 0.51 0.00 0.00 0.00 0.00 174.94 175.97 3a6p n GLN 82 N 2.54 -1.37 -2.86 2.79 6.02 -1.26 -4.95 117.38 118.29 3a6p n GLN 82 Ca 0.07 0.19 -0.32 0.00 -0.01 0.00 0.00 57.00 56.93 3a6p n GLN 82 Cb 0.41 -4.55 -0.05 0.00 1.02 0.00 0.00 30.24 27.06 3a6p n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a6p s ALA 83 N -3.52 3.19 -0.34 -1.58 0.00 -0.94 -4.86 121.76 113.71 3a6p s ALA 83 Ca 0.61 0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.75 3a6p s ALA 83 Cb -0.35 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 3a6p s ALA 83 CO 1.00 0.11 0.33 0.00 0.00 0.00 0.00 175.76 177.20 3a6p n GLN 84 N -0.83 3.77 -3.57 0.00 10.64 -0.80 -4.97 117.38 121.62 3a6p n GLN 84 Ca 0.05 -0.24 -0.09 0.00 -1.83 0.00 0.00 57.00 54.89 3a6p n GLN 84 Cb 0.54 -0.83 -0.04 0.00 -0.86 0.00 0.00 30.24 29.05 3a6p n GLN 84 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3a6p s ALA 86 N -1.63 -0.35 -0.14 0.00 0.00 -0.87 -1.08 121.76 117.68 3a6p s ALA 86 Ca 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.81 3a6p s ALA 86 Cb -0.01 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.30 3a6p s ALA 86 CO -0.02 -0.27 -0.18 0.42 0.00 0.00 0.00 175.76 175.72 3a6p s ILE 87 N -1.83 1.83 -0.30 0.00 1.01 1.00 -0.98 121.20 121.93 3a6p s ILE 87 Ca -0.11 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.62 3a6p s ILE 87 Cb -0.05 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 3a6p s ILE 87 CO -0.00 0.50 0.17 -0.63 0.00 0.00 0.00 174.94 174.98 3a6p s ILE 88 N 1.12 4.93 0.00 2.92 1.01 -0.33 -1.70 121.20 129.16 3a6p s ILE 88 Ca -0.01 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.53 3a6p s ILE 88 Cb -0.14 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 3a6p s ILE 88 CO -0.07 0.15 -0.09 -0.32 0.00 0.00 0.00 174.94 174.61 3a6p s MET 89 N 1.68 2.47 0.17 2.79 1.75 0.07 -1.56 119.30 126.68 3a6p s MET 89 Ca 0.06 -0.76 -0.03 0.00 -1.25 0.00 0.00 55.69 53.71 3a6p s MET 89 Cb -0.16 -2.44 -0.03 0.00 2.84 0.00 0.00 34.83 35.03 3a6p s MET 89 CO 0.08 0.59 0.16 -0.59 -0.65 0.00 0.00 175.02 174.61 3a6p s PHE 90 N -0.96 0.83 -0.12 4.11 -0.12 -0.19 -3.96 117.98 117.57 3a6p s PHE 90 Ca 0.16 -1.15 -0.06 0.00 -0.05 0.00 0.00 56.93 55.83 3a6p s PHE 90 Cb -0.11 -0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 41.87 3a6p s PHE 90 CO 0.07 -0.63 0.10 0.34 -0.05 0.00 0.00 175.22 175.04 3a6p s ASP 91 N -3.07 6.05 0.10 1.98 -1.08 -1.26 -0.22 116.67 119.17 3a6p s ASP 91 Ca 0.27 0.34 0.26 0.00 -0.52 0.00 0.00 52.55 52.91 3a6p s ASP 91 Cb 0.06 -1.93 1.00 0.00 -1.46 0.00 0.00 42.92 40.59 3a6p s ASP 91 CO 0.05 0.36 1.80 1.33 0.52 0.00 0.00 175.17 179.24 3a6p n VAL 92 N 2.29 0.40 0.11 1.11 0.24 -1.08 -3.09 118.33 118.30 3a6p n VAL 92 Ca -0.19 -0.05 -0.03 0.00 -2.04 0.00 0.00 64.34 62.03 3a6p n VAL 92 Cb 0.54 -0.65 0.05 0.00 -1.47 0.00 0.00 33.84 32.31 3a6p n VAL 92 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3a6p h THR 93 N 0.00 1.47 -3.63 3.34 2.02 -1.86 -0.92 112.91 113.32 3a6p h THR 93 Ca 0.00 -2.65 -0.69 0.00 0.77 0.00 0.00 66.41 63.85 3a6p h THR 93 Cb 0.54 2.46 -0.28 0.00 -1.74 0.00 0.00 68.15 69.12 3a6p h THR 93 CO 0.00 0.74 -0.63 -0.55 0.37 0.00 0.00 175.52 175.45 3a6p s SER 94 N -6.72 5.13 0.28 4.18 0.15 -1.18 -4.73 113.70 110.81 3a6p s SER 94 Ca 0.00 -0.94 -0.01 0.00 0.70 0.00 0.00 55.95 55.70 3a6p s SER 94 Cb 0.11 -1.85 0.47 0.00 -1.71 0.00 0.00 66.02 63.04 3a6p s SER 94 CO 0.78 -0.25 1.90 0.03 1.20 0.00 0.00 173.24 176.90 3a6p h ARG 95 N 8.20 1.07 -0.91 5.44 3.08 -1.83 -2.72 114.38 126.72 3a6p h ARG 95 Ca -0.27 -0.06 0.17 0.00 0.07 0.00 0.00 59.98 59.89 3a6p h ARG 95 Cb 1.10 -0.24 -0.07 0.00 0.08 0.00 0.00 29.97 30.84 3a6p h ARG 95 CO 0.60 0.71 0.59 0.28 -1.07 0.00 0.00 179.97 181.07 3a6p h VAL 96 N 1.10 0.75 0.00 2.04 2.07 -1.92 -2.38 116.25 117.92 3a6p h VAL 96 Ca 0.41 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.63 3a6p h VAL 96 Cb 0.18 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3a6p h VAL 96 CO -0.16 0.11 -0.48 0.71 0.02 0.00 0.00 177.57 177.77 3a6p h THR 97 N 0.58 1.20 0.00 2.57 1.35 -1.76 -1.33 112.91 115.52 3a6p h THR 97 Ca 0.48 -1.72 -0.11 0.00 -0.55 0.00 0.00 66.41 64.50 3a6p h THR 97 Cb 0.93 1.97 -0.02 0.00 -1.73 0.00 0.00 68.15 69.30 3a6p h THR 97 CO -0.22 0.47 -0.53 0.22 -0.25 0.00 0.00 175.52 175.21 3a6p h TYR 98 N 0.00 0.00 -0.01 4.73 3.20 -1.56 -3.03 116.97 120.29 3a6p h TYR 98 Ca -0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3a6p h TYR 98 Cb 0.93 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 3a6p h TYR 98 CO 0.00 0.53 -0.35 0.87 -1.64 0.00 0.00 178.16 177.57 3a6p h LYS 99 N 0.00 0.03 -0.04 1.82 1.57 -1.07 -2.99 116.57 115.89 3a6p h LYS 99 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3a6p h LYS 99 Cb 1.33 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3a6p h LYS 99 CO 0.07 0.38 0.00 0.09 -0.57 0.00 0.00 179.45 179.42 3a6p n ASN 100 N -4.11 2.00 -0.13 0.86 3.02 -0.82 -4.25 115.26 111.82 3a6p n ASN 100 Ca -0.02 -1.67 -0.09 0.00 -0.03 0.00 0.00 54.58 52.77 3a6p n ASN 100 Cb 0.40 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.55 3a6p n ASN 100 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3a6p h VAL 101 N 3.08 1.16 -0.00 2.41 2.07 -1.41 -2.58 116.25 120.98 3a6p h VAL 101 Ca 0.00 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3a6p h VAL 101 Cb 0.66 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3a6p h VAL 101 CO 0.00 0.17 0.00 -0.65 0.02 0.00 0.00 177.57 177.11 3a6p h PRO 102 N 0.49 0.00 0.21 1.57 0.11 -1.80 0.21 132.00 132.79 3a6p h PRO 102 Ca 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 3a6p h PRO 102 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 3a6p h PRO 102 CO -0.02 0.00 -0.10 -0.91 -0.21 0.00 0.00 178.00 176.76 3a6p h ASN 103 N 0.00 -0.24 -0.88 -2.05 4.21 -1.75 -1.02 115.58 113.85 3a6p h ASN 103 Ca 0.00 -0.27 0.03 0.00 1.21 0.00 0.00 56.30 57.27 3a6p h ASN 103 Cb 0.01 0.06 -0.05 0.00 -1.12 0.00 0.00 38.32 37.22 3a6p h ASN 103 CO -0.00 0.19 0.58 -0.50 -1.29 0.00 0.00 177.43 176.41 3a6p h TRP 104 N -0.72 1.07 -0.57 1.19 4.06 -0.88 -1.97 115.95 118.13 3a6p h TRP 104 Ca -0.03 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 3a6p h TRP 104 Cb 0.49 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 28.27 3a6p h TRP 104 CO 0.05 0.62 0.23 1.25 -3.56 0.00 0.00 178.44 177.03 3a6p h HIS 105 N 1.11 0.87 -0.20 0.49 2.76 -0.62 -2.98 115.15 116.57 3a6p h HIS 105 Ca 0.35 -0.06 -0.10 0.00 -2.20 0.00 0.00 60.37 58.36 3a6p h HIS 105 Cb 0.02 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.70 3a6p h HIS 105 CO -0.00 0.70 -0.30 -0.09 -1.30 0.00 0.00 177.93 176.94 3a6p h ARG 106 N 0.78 0.40 -0.32 5.26 1.12 -0.44 -1.68 114.38 119.50 3a6p h ARG 106 Ca 0.19 -0.16 -0.10 0.00 -1.11 0.00 0.00 59.98 58.80 3a6p h ARG 106 Cb 0.20 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.12 3a6p h ARG 106 CO -0.02 0.66 -0.21 -0.44 -3.11 0.00 0.00 179.97 176.86 3a6p h ASP 107 N 0.35 0.60 0.05 -3.80 3.32 -1.48 -2.75 116.42 112.71 3a6p h ASP 107 Ca 0.05 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3a6p h ASP 107 Cb 0.71 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3a6p h ASP 107 CO 0.05 0.81 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.29 3a6p h LEU 108 N 0.53 -0.05 -2.22 1.55 3.38 -1.17 -3.16 115.31 114.17 3a6p h LEU 108 Ca 0.08 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3a6p h LEU 108 Cb 0.65 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3a6p h LEU 108 CO 0.05 0.64 -0.06 -0.37 0.09 0.00 0.00 178.44 178.79 3a6p h VAL 109 N -0.97 0.53 -0.00 1.22 -1.51 -1.50 -0.70 116.25 113.31 3a6p h VAL 109 Ca -0.01 -0.25 -0.00 0.00 -1.23 0.00 0.00 66.70 65.21 3a6p h VAL 109 Cb 0.49 1.16 -0.00 0.00 -2.13 0.00 0.00 31.29 30.82 3a6p h VAL 109 CO 0.01 0.06 -0.00 -0.09 -1.23 0.00 0.00 177.57 176.31 3a6p h ARG 110 N 0.00 0.00 -0.32 5.19 9.65 -1.56 -3.14 114.38 124.20 3a6p h ARG 110 Ca -0.00 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.81 3a6p h ARG 110 Cb 0.16 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 3a6p h ARG 110 CO 0.01 0.48 -0.05 0.28 2.80 0.00 0.00 179.97 183.49 3a6p h VAL 111 N -0.47 1.27 -2.64 0.20 2.07 -1.47 -3.42 116.25 111.79 3a6p h VAL 111 Ca 0.00 -1.06 -0.43 0.00 0.82 0.00 0.00 66.70 66.02 3a6p h VAL 111 Cb 0.48 1.31 -0.38 0.00 -1.52 0.00 0.00 31.29 31.18 3a6p h VAL 111 CO 0.00 0.35 -0.72 0.00 0.02 0.00 0.00 177.57 177.22 3a6p s GLU 113 N 2.21 3.95 -0.60 0.00 -1.05 -1.19 -4.20 118.70 117.82 3a6p s GLU 113 Ca 0.08 0.75 0.00 0.00 -0.15 0.00 0.00 54.97 55.65 3a6p s GLU 113 Cb -0.15 -2.30 0.00 0.00 -0.44 0.00 0.00 34.13 31.24 3a6p s GLU 113 CO -0.27 -0.05 0.00 0.09 0.95 0.00 0.00 175.26 175.98 3a6p n ASN 114 N -1.02 -3.09 -4.88 0.83 4.13 -1.26 -5.01 115.26 104.95 3a6p n ASN 114 Ca 0.05 0.07 -0.36 0.00 1.68 0.00 0.00 54.58 56.01 3a6p n ASN 114 Cb 0.54 -1.83 -0.06 0.00 -1.54 0.00 0.00 39.78 36.89 3a6p n ASN 114 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3a6p s ILE 115 N -2.28 5.42 0.10 2.41 -4.36 -1.26 -5.05 121.20 116.18 3a6p s ILE 115 Ca 0.00 0.23 -0.32 0.00 -0.26 0.00 0.00 60.65 60.31 3a6p s ILE 115 Cb 0.00 -3.47 -0.11 0.00 1.25 0.00 0.00 42.46 40.13 3a6p s ILE 115 CO 0.00 0.55 1.83 -0.81 0.24 0.00 0.00 174.94 176.75 3a6p n PRO 116 N 1.74 2.68 -5.22 0.37 -0.04 -1.26 -4.89 135.00 128.38 3a6p n PRO 116 Ca -0.17 0.98 -0.32 0.00 -0.04 0.00 0.00 63.50 63.95 3a6p n PRO 116 Cb 0.54 -2.86 -0.16 0.00 -0.04 0.00 0.00 33.50 30.98 3a6p n PRO 116 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3a6p s ILE 117 N 2.85 2.15 -0.13 0.52 1.01 -1.26 -2.05 121.20 124.28 3a6p s ILE 117 Ca 0.83 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.44 3a6p s ILE 117 Cb -0.52 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 3a6p s ILE 117 CO 0.39 0.57 -0.07 -0.69 0.00 0.00 0.00 174.94 175.13 3a6p s VAL 118 N -0.04 3.58 0.10 2.92 1.01 -0.15 -3.48 120.40 124.34 3a6p s VAL 118 Ca -0.07 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 3a6p s VAL 118 Cb -0.15 -2.53 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 3a6p s VAL 118 CO 0.05 0.52 0.43 -0.22 0.00 0.00 0.00 175.10 175.88 3a6p s LEU 119 N 0.17 4.33 -0.15 3.92 2.96 0.25 -1.19 118.68 128.98 3a6p s LEU 119 Ca -0.04 0.84 -0.04 0.00 -0.22 0.00 0.00 54.13 54.67 3a6p s LEU 119 Cb -0.14 -3.08 0.07 0.00 0.50 0.00 0.00 46.19 43.54 3a6p s LEU 119 CO 0.04 0.14 0.25 0.00 -1.32 0.00 0.00 176.35 175.46 3a6p s GLY 121 N 2.40 1.79 0.43 0.00 0.00 -1.19 -1.02 107.32 109.73 3a6p s GLY 121 Ca 0.03 -1.32 -0.01 0.00 0.00 0.00 0.00 44.72 43.42 3a6p s GLY 121 CO -0.10 1.37 0.66 0.21 0.00 0.00 0.00 173.10 175.25 3a6p s ASN 122 N 1.91 6.05 -0.59 1.64 2.47 0.69 -0.37 114.94 126.74 3a6p s ASN 122 Ca 0.18 0.48 -0.00 0.00 0.42 0.00 0.00 52.86 53.94 3a6p s ASN 122 Cb -0.15 -1.84 -0.00 0.00 -1.45 0.00 0.00 41.25 37.80 3a6p s ASN 122 CO 0.16 -0.56 0.50 0.29 -3.72 0.00 0.00 177.10 173.77 3a6p n LYS 123 N -2.04 -3.10 0.00 0.43 5.02 -0.46 -2.63 118.16 115.37 3a6p n LYS 123 Ca -0.01 0.43 0.15 0.00 -2.02 0.00 0.00 58.31 56.86 3a6p n LYS 123 Cb 0.57 -4.14 0.82 0.00 -0.02 0.00 0.00 35.03 32.27 3a6p n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3a6p n VAL 124 N -2.55 0.00 1.66 -0.18 0.24 -1.12 -3.12 118.33 113.27 3a6p n VAL 124 Ca -0.13 -0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.28 3a6p n VAL 124 Cb 0.58 -0.48 0.56 0.00 -1.47 0.00 0.00 33.84 33.03 3a6p n VAL 124 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3a6p n ASP 125 N -1.16 0.81 -4.66 -1.34 3.85 -1.26 -4.85 116.55 107.93 3a6p n ASP 125 Ca 0.18 -1.46 -0.38 0.00 -0.71 0.00 0.00 54.79 52.42 3a6p n ASP 125 Cb 0.19 -0.03 -0.08 0.00 -1.35 0.00 0.00 41.12 39.85 3a6p n ASP 125 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3a6p s ILE 126 N -1.93 5.23 0.00 2.12 1.01 -1.18 -4.99 121.20 121.46 3a6p s ILE 126 Ca 0.35 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.58 3a6p s ILE 126 Cb 0.17 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.96 3a6p s ILE 126 CO 0.28 0.26 0.00 0.29 0.00 0.00 0.00 174.94 175.77 3a6p n LYS 127 N 4.50 0.00 -4.08 2.79 5.02 -1.26 -3.86 118.16 121.26 3a6p n LYS 127 Ca -0.10 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.87 3a6p n LYS 127 Cb 0.51 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.36 3a6p n LYS 127 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3a6p s ASP 128 N 0.00 2.97 -0.22 4.39 -4.77 -1.26 -5.10 116.67 112.68 3a6p s ASP 128 Ca 0.00 -0.59 -0.29 0.00 -3.30 0.00 0.00 52.55 48.37 3a6p s ASP 128 Cb 0.00 -1.37 -0.03 0.00 -1.09 0.00 0.00 42.92 40.43 3a6p s ASP 128 CO 0.00 -0.02 1.69 -0.13 0.70 0.00 0.00 175.17 177.41 3a6p s ARG 129 N 1.36 3.72 0.18 2.11 0.52 -1.25 -4.88 118.95 120.72 3a6p s ARG 129 Ca 0.05 1.71 -0.06 0.00 -0.52 0.00 0.00 55.73 56.91 3a6p s ARG 129 Cb -0.13 -4.08 0.08 0.00 0.52 0.00 0.00 34.95 31.34 3a6p s ARG 129 CO -0.12 -1.39 1.53 0.87 0.02 0.00 0.00 175.30 176.21 3a6p h LYS 130 N 11.21 0.74 -5.47 3.54 1.79 -1.54 -3.38 116.57 123.47 3a6p h LYS 130 Ca -0.35 -0.39 -0.63 0.00 -2.18 0.00 0.00 60.65 57.10 3a6p h LYS 130 Cb 1.16 0.02 -0.14 0.00 -1.58 0.00 0.00 32.23 31.69 3a6p h LYS 130 CO 1.00 1.01 0.54 0.08 -1.08 0.00 0.00 179.45 181.01 3a6p s VAL 131 N -4.28 4.33 0.31 0.50 1.01 -0.47 -4.94 120.40 116.86 3a6p s VAL 131 Ca -0.09 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 3a6p s VAL 131 Cb 0.12 -4.68 -0.10 0.00 0.00 0.00 0.00 36.38 31.72 3a6p s VAL 131 CO 0.85 -1.44 1.24 -0.54 0.00 0.00 0.00 175.10 175.21 3a6p s LYS 132 N 4.06 4.45 0.34 2.72 1.02 -1.26 -4.90 119.74 126.16 3a6p s LYS 132 Ca 0.22 2.09 0.21 0.00 0.02 0.00 0.00 55.97 58.51 3a6p s LYS 132 Cb -0.17 -3.11 1.14 0.00 -0.52 0.00 0.00 37.83 35.17 3a6p s LYS 132 CO 0.11 -0.06 1.62 0.00 -0.92 0.00 0.00 175.35 176.10 3a6p h ALA 133 N 3.52 1.04 0.00 5.17 0.00 -1.95 -1.13 119.26 125.91 3a6p h ALA 133 Ca -0.48 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3a6p h ALA 133 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3a6p h ALA 133 CO 0.66 -0.04 -1.20 1.63 0.00 0.00 0.00 179.25 180.30 3a6p n LYS 134 N -2.25 0.62 0.15 0.00 5.02 -1.26 -3.99 118.16 116.44 3a6p n LYS 134 Ca -0.01 0.07 0.13 0.00 -2.02 0.00 0.00 58.31 56.48 3a6p n LYS 134 Cb 0.09 -1.77 0.34 0.00 -0.02 0.00 0.00 35.03 33.67 3a6p n LYS 134 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3a6p h SER 135 N 0.00 0.00 -1.12 4.39 4.64 -1.58 -3.43 113.55 116.46 3a6p h SER 135 Ca -0.01 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.93 3a6p h SER 135 Cb 1.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 3a6p h SER 135 CO 0.00 0.00 0.97 -0.63 -0.87 0.00 0.00 176.83 176.30 3a6p s ILE 136 N -3.17 3.48 0.00 0.95 1.01 -1.24 -4.77 121.20 117.46 3a6p s ILE 136 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3a6p s ILE 136 Cb 0.10 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.44 3a6p s ILE 136 CO 0.61 -1.06 0.35 1.33 0.00 0.00 0.00 174.94 176.17 3a6p n VAL 137 N 7.57 0.00 -0.10 2.92 0.24 -1.26 -4.82 118.33 122.87 3a6p n VAL 137 Ca 0.33 -0.44 -0.11 0.00 -2.04 0.00 0.00 64.34 62.09 3a6p n VAL 137 Cb 0.49 1.10 -0.03 0.00 -1.47 0.00 0.00 33.84 33.92 3a6p n VAL 137 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3a6p h PHE 138 N 0.00 0.57 -0.60 6.34 3.57 -2.00 -1.38 116.94 123.44 3a6p h PHE 138 Ca 0.00 -0.09 0.17 0.00 3.53 0.00 0.00 57.97 61.58 3a6p h PHE 138 Cb 0.05 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3a6p h PHE 138 CO 0.00 0.64 0.48 1.12 -2.23 0.00 0.00 178.31 178.32 3a6p h HIS 139 N 0.33 0.00 0.00 0.41 2.07 -1.87 -0.44 115.15 115.64 3a6p h HIS 139 Ca 0.09 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.41 3a6p h HIS 139 Cb 0.40 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.35 3a6p h HIS 139 CO 0.03 0.00 -1.14 -0.09 -3.07 0.00 0.00 177.93 173.66 3a6p h ARG 140 N 0.00 0.00 0.00 5.12 2.43 -1.50 0.14 114.38 120.57 3a6p h ARG 140 Ca 0.29 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.32 3a6p h ARG 140 Cb 1.24 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 3a6p h ARG 140 CO -0.00 0.65 -0.64 -0.22 -1.51 0.00 0.00 179.97 178.25 3a6p h LYS 141 N 0.00 0.00 -0.22 0.20 3.11 -0.91 -3.25 116.57 115.50 3a6p h LYS 141 Ca -0.10 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 3a6p h LYS 141 Cb 1.72 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.95 3a6p h LYS 141 CO 0.09 0.64 0.00 1.63 -2.81 0.00 0.00 179.45 178.99 3a6p n LYS 142 N -3.42 2.72 -3.92 1.90 4.76 -0.64 -5.01 118.16 114.55 3a6p n LYS 142 Ca 0.00 -2.33 -0.32 0.00 -2.87 0.00 0.00 58.31 52.80 3a6p n LYS 142 Cb 0.72 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 3a6p n LYS 142 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3a6p n ASN 143 N -0.24 -2.56 -4.55 4.39 3.02 -0.60 -5.01 115.26 109.72 3a6p n ASN 143 Ca 0.14 -1.09 -0.24 0.00 -0.03 0.00 0.00 54.58 53.35 3a6p n ASN 143 Cb 0.60 -2.76 -0.09 0.00 -0.61 0.00 0.00 39.78 36.91 3a6p n ASN 143 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a6p s LEU 144 N -6.94 2.87 0.35 3.41 1.43 0.40 -4.99 118.68 115.21 3a6p s LEU 144 Ca 0.25 -0.79 -0.25 0.00 -1.03 0.00 0.00 54.13 52.32 3a6p s LEU 144 Cb -0.11 -1.44 -0.10 0.00 0.03 0.00 0.00 46.19 44.57 3a6p s LEU 144 CO 0.91 0.04 0.94 -1.58 0.23 0.00 0.00 176.35 176.89 3a6p s GLN 145 N -3.37 4.49 0.12 1.70 2.00 -1.23 -4.57 119.66 118.80 3a6p s GLN 145 Ca 0.29 1.27 0.10 0.00 -2.00 0.00 0.00 55.36 55.02 3a6p s GLN 145 Cb -0.06 -2.64 -0.04 0.00 0.80 0.00 0.00 33.01 31.07 3a6p s GLN 145 CO 0.16 0.20 -0.25 -0.47 -0.50 0.00 0.00 175.29 174.44 3a6p s TYR 146 N -1.76 2.37 -0.24 1.67 5.04 -1.26 -0.58 117.35 122.59 3a6p s TYR 146 Ca 0.53 -0.35 -0.05 0.00 -2.44 0.00 0.00 57.07 54.76 3a6p s TYR 146 Cb -0.16 -1.29 0.12 0.00 0.35 0.00 0.00 41.96 40.98 3a6p s TYR 146 CO 0.21 0.33 0.44 0.71 -1.34 0.00 0.00 175.55 175.91 3a6p s TYR 147 N -1.06 -0.95 0.28 4.97 2.02 -1.04 -4.96 117.35 116.60 3a6p s TYR 147 Ca 0.15 1.35 -0.29 0.00 -0.37 0.00 0.00 57.07 57.91 3a6p s TYR 147 Cb -0.10 0.27 -0.10 0.00 -0.40 0.00 0.00 41.96 41.63 3a6p s TYR 147 CO 0.07 -0.63 1.12 0.16 -1.57 0.00 0.00 175.55 174.69 3a6p s ASP 148 N 2.64 7.23 0.25 2.29 -4.77 -1.26 -3.20 116.67 119.84 3a6p s ASP 148 Ca 0.06 2.29 -0.07 0.00 -3.30 0.00 0.00 52.55 51.53 3a6p s ASP 148 Cb -0.14 -2.63 -0.01 0.00 -1.09 0.00 0.00 42.92 39.05 3a6p s ASP 148 CO -0.15 -0.18 0.37 0.27 0.70 0.00 0.00 175.17 176.18 3a6p s ILE 149 N -1.10 0.00 -0.14 2.11 -4.36 0.50 -4.65 121.20 113.56 3a6p s ILE 149 Ca 0.45 -1.63 -0.09 0.00 -0.26 0.00 0.00 60.65 59.13 3a6p s ILE 149 Cb -0.32 -2.36 0.05 0.00 1.25 0.00 0.00 42.46 41.07 3a6p s ILE 149 CO 0.42 0.00 0.35 -0.55 0.24 0.00 0.00 174.94 175.39 3a6p s SER 150 N -3.10 -0.41 0.21 4.36 0.15 -1.13 -1.36 113.70 112.43 3a6p s SER 150 Ca 0.29 0.74 0.25 0.00 0.70 0.00 0.00 55.95 57.93 3a6p s SER 150 Cb 0.02 0.64 0.57 0.00 -1.71 0.00 0.00 66.02 65.55 3a6p s SER 150 CO 0.12 -0.17 1.58 0.00 1.20 0.00 0.00 173.24 175.97 3a6p h ALA 151 N 6.85 0.85 0.04 5.45 0.00 -1.94 0.65 119.26 131.15 3a6p h ALA 151 Ca -0.36 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.19 3a6p h ALA 151 Cb 1.18 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 3a6p h ALA 151 CO 0.32 0.00 -2.16 1.17 0.00 0.00 0.00 179.25 178.58 3a6p n LYS 152 N -2.33 0.69 0.10 0.00 4.81 -1.26 -4.52 118.16 115.65 3a6p n LYS 152 Ca 0.04 0.19 0.07 0.00 -0.87 0.00 0.00 58.31 57.74 3a6p n LYS 152 Cb 0.45 -1.63 -0.01 0.00 0.02 0.00 0.00 35.03 33.86 3a6p n LYS 152 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3a6p h SER 153 N 0.02 0.00 -1.13 3.14 0.87 -1.96 -3.48 113.55 111.01 3a6p h SER 153 Ca -0.47 0.00 -0.43 0.00 -1.23 0.00 0.00 61.79 59.66 3a6p h SER 153 Cb 2.03 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 63.83 3a6p h SER 153 CO 0.02 0.23 -0.40 0.59 -0.53 0.00 0.00 176.83 176.74 3a6p n ASN 154 N -2.84 -5.55 -4.66 6.23 4.13 0.23 -4.96 115.26 107.84 3a6p n ASN 154 Ca -0.02 0.48 -0.43 0.00 1.68 0.00 0.00 54.58 56.29 3a6p n ASN 154 Cb 0.66 -4.87 -0.02 0.00 -1.54 0.00 0.00 39.78 34.00 3a6p n ASN 154 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3a6p s TYR 155 N -2.79 2.33 -1.99 3.10 5.04 -1.23 -1.99 117.35 119.82 3a6p s TYR 155 Ca 0.00 0.54 0.00 0.00 -2.44 0.00 0.00 57.07 55.17 3a6p s TYR 155 Cb 0.00 -3.76 0.00 0.00 0.35 0.00 0.00 41.96 38.55 3a6p s TYR 155 CO 0.00 -2.93 0.00 0.09 -1.34 0.00 0.00 175.55 171.37 3a6p n ASN 156 N 7.02 -5.59 -0.20 4.32 5.03 -1.26 -2.83 115.26 121.76 3a6p n ASN 156 Ca 0.16 0.29 0.12 0.00 0.87 0.00 0.00 54.58 56.02 3a6p n ASN 156 Cb 0.44 -4.77 0.23 0.00 -1.02 0.00 0.00 39.78 34.66 3a6p n ASN 156 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 3a6p n PHE 157 N -3.07 0.48 0.27 3.10 -0.00 -0.84 -1.01 117.46 116.40 3a6p n PHE 157 Ca -0.22 0.70 0.03 0.00 -0.00 0.00 0.00 57.45 57.96 3a6p n PHE 157 Cb 0.67 -1.01 0.00 0.00 -0.00 0.00 0.00 39.48 39.15 3a6p n PHE 157 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3a6p n GLU 158 N -4.59 2.13 -0.31 -4.13 1.02 -1.26 -4.71 120.64 108.80 3a6p n GLU 158 Ca 0.17 -0.51 0.06 0.00 -0.02 0.00 0.00 57.16 56.85 3a6p n GLU 158 Cb 0.56 -0.98 0.21 0.00 -0.02 0.00 0.00 31.44 31.21 3a6p n GLU 158 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3a6p h LYS 159 N 0.74 0.74 -0.27 3.49 1.79 -1.47 -0.85 116.57 120.74 3a6p h LYS 159 Ca 0.00 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.37 3a6p h LYS 159 Cb 0.22 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 3a6p h LYS 159 CO 0.00 0.49 -0.04 -1.00 -1.08 0.00 0.00 179.45 177.81 3a6p h PRO 160 N 0.76 0.50 -0.82 3.15 0.13 -1.84 -1.98 132.00 131.89 3a6p h PRO 160 Ca 0.45 -0.18 0.07 0.00 -0.87 0.00 0.00 66.00 65.46 3a6p h PRO 160 Cb 0.52 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.55 3a6p h PRO 160 CO -0.30 0.70 0.49 0.74 -0.23 0.00 0.00 178.00 179.40 3a6p h PHE 161 N 0.26 0.91 -0.62 1.56 0.04 -1.83 -1.95 116.94 115.31 3a6p h PHE 161 Ca 0.07 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 3a6p h PHE 161 Cb 0.50 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 3a6p h PHE 161 CO 0.05 0.44 0.21 1.25 -0.60 0.00 0.00 178.31 179.66 3a6p h LEU 162 N 0.89 0.88 -0.68 1.54 5.85 -1.01 -0.26 115.31 122.52 3a6p h LEU 162 Ca 0.37 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 3a6p h LEU 162 Cb 0.21 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3a6p h LEU 162 CO -0.19 0.84 -0.43 -0.25 -0.34 0.00 0.00 178.44 178.08 3a6p h TRP 163 N 0.87 0.63 0.15 1.25 7.01 -1.10 0.23 115.95 125.00 3a6p h TRP 163 Ca 0.20 -0.19 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 3a6p h TRP 163 Cb 0.26 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 3a6p h TRP 163 CO 0.02 0.87 -0.07 -0.07 -2.79 0.00 0.00 178.44 176.39 3a6p h LEU 164 N 0.43 -0.18 -0.71 0.65 3.38 -1.25 -1.31 115.31 116.32 3a6p h LEU 164 Ca 0.03 -0.34 0.15 0.00 0.09 0.00 0.00 57.88 57.82 3a6p h LEU 164 Cb 0.92 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.61 3a6p h LEU 164 CO 0.08 0.29 0.15 0.00 0.09 0.00 0.00 178.44 179.04 3a6p h ALA 165 N 0.02 0.89 -0.03 1.53 0.00 -0.97 0.81 119.26 121.50 3a6p h ALA 165 Ca -0.02 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3a6p h ALA 165 Cb 0.50 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3a6p h ALA 165 CO 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 178.94 3a6p h ARG 166 N 0.24 0.05 0.10 0.00 -0.00 -0.36 -2.82 114.38 111.58 3a6p h ARG 166 Ca 0.40 -0.00 -0.26 0.00 -0.50 0.00 0.00 59.98 59.61 3a6p h ARG 166 Cb 0.67 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.62 3a6p h ARG 166 CO -0.51 0.05 -1.35 -0.22 0.00 0.00 0.00 179.97 177.93 3a6p h LYS 167 N 0.05 0.21 0.19 0.04 1.63 0.17 -2.46 116.57 116.40 3a6p h LYS 167 Ca 0.01 -0.37 -0.01 0.00 -0.85 0.00 0.00 60.65 59.44 3a6p h LYS 167 Cb 0.03 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 3a6p h LYS 167 CO -0.00 1.17 -0.09 -0.07 -3.45 0.00 0.00 179.45 177.01 3a6p h LEU 168 N -0.38 -0.22 -0.80 5.20 3.38 -0.75 -2.90 115.31 118.85 3a6p h LEU 168 Ca -0.30 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3a6p h LEU 168 Cb 1.70 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.51 3a6p h LEU 168 CO 0.04 -0.10 0.00 0.40 0.09 0.00 0.00 178.44 178.87 3a6p h ILE 169 N -0.32 0.00 -1.74 1.22 2.04 -1.68 -3.47 117.51 113.55 3a6p h ILE 169 Ca -0.03 -0.54 -0.19 0.00 1.00 0.00 0.00 64.86 65.11 3a6p h ILE 169 Cb 0.25 1.48 0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3a6p h ILE 169 CO 0.04 0.00 -0.26 0.61 0.00 0.00 0.00 178.15 178.55 3a6p n GLY 170 N 0.41 0.04 2.84 5.37 0.00 -0.95 -5.00 105.19 107.90 3a6p n GLY 170 Ca 0.02 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 3a6p n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a6p s ASP 171 N -2.70 4.25 0.51 1.61 2.15 -1.08 -5.00 116.67 116.41 3a6p s ASP 171 Ca 0.06 -1.77 0.23 0.00 0.43 0.00 0.00 52.55 51.49 3a6p s ASP 171 Cb -0.03 -1.12 1.36 0.00 -0.30 0.00 0.00 42.92 42.83 3a6p s ASP 171 CO 0.07 -0.39 2.08 -0.65 -0.17 0.00 0.00 175.17 176.11 3a6p h PRO 172 N 7.93 0.00 -0.02 4.34 0.11 -1.95 -1.84 132.00 140.57 3a6p h PRO 172 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3a6p h PRO 172 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3a6p h PRO 172 CO 0.48 0.11 0.00 0.09 -0.21 0.00 0.00 178.00 178.48 3a6p n ASN 173 N -3.95 0.14 -4.69 -2.05 5.03 -1.26 -4.93 115.26 103.56 3a6p n ASN 173 Ca -0.02 -1.79 -0.42 0.00 0.87 0.00 0.00 54.58 53.22 3a6p n ASN 173 Cb 0.20 -0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 38.92 3a6p n ASN 173 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3a6p s LEU 174 N -1.22 4.35 -0.01 3.41 2.96 -0.69 -5.00 118.68 122.48 3a6p s LEU 174 Ca 0.12 2.36 0.06 0.00 -0.22 0.00 0.00 54.13 56.45 3a6p s LEU 174 Cb 0.06 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.16 3a6p s LEU 174 CO 0.09 -0.83 -0.19 -1.61 -1.32 0.00 0.00 176.35 172.49 3a6p s GLU 175 N 2.59 2.25 0.00 1.98 0.41 -1.26 -4.93 118.70 119.75 3a6p s GLU 175 Ca 0.71 -0.85 0.28 0.00 -0.41 0.00 0.00 54.97 54.69 3a6p s GLU 175 Cb -0.37 -2.22 0.99 0.00 -1.78 0.00 0.00 34.13 30.75 3a6p s GLU 175 CO 0.30 0.58 1.71 1.19 -0.49 0.00 0.00 175.26 178.55