#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 0.11 0.54 7.27 -1.25 -4.87 117.38 119.19 3a6p n GLN 8 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 3a6p n GLN 8 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 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 0.17 -2.51 1.69 -1.51 -1.94 -3.49 116.25 108.66 3a6p h VAL 9 Ca 0.00 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 3a6p h VAL 9 Cb 0.00 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 29.46 3a6p h VAL 9 CO 0.00 0.05 -0.27 1.67 -1.23 0.00 0.00 177.57 177.79 3a6p n GLN 10 N -5.02 -1.48 -4.31 5.19 7.27 -1.24 -4.91 117.38 112.88 3a6p n GLN 10 Ca -0.06 1.43 -0.21 0.00 0.07 0.00 0.00 57.00 58.23 3a6p n GLN 10 Cb 0.18 -1.53 -0.11 0.00 2.41 0.00 0.00 30.24 31.19 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 -0.16 1.72 -0.30 3.69 0.08 0.12 -4.93 117.98 118.20 3a6p s PHE 11 Ca 0.00 -0.49 -0.13 0.00 0.12 0.00 0.00 56.93 56.43 3a6p s PHE 11 Cb 0.00 -0.87 -0.03 0.00 -0.57 0.00 0.00 43.02 41.55 3a6p s PHE 11 CO 0.00 0.28 0.26 0.21 -0.10 0.00 0.00 175.22 175.87 3a6p s LYS 12 N -2.73 3.79 -0.12 0.44 2.20 -1.26 -0.25 119.74 121.80 3a6p s LYS 12 Ca 0.14 -0.36 -0.00 0.00 -0.36 0.00 0.00 55.97 55.39 3a6p s LYS 12 Cb -0.06 -3.72 -0.02 0.00 -1.51 0.00 0.00 37.83 32.52 3a6p s LYS 12 CO 0.06 -0.32 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.46 3a6p s LEU 13 N 1.84 2.91 -0.14 5.43 2.96 0.19 -2.44 118.68 129.44 3a6p s LEU 13 Ca 0.09 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3a6p s LEU 13 Cb -0.16 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 3a6p s LEU 13 CO 0.11 0.21 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.55 3a6p s VAL 14 N 0.08 3.17 -0.22 1.68 1.01 -0.72 0.61 120.40 126.01 3a6p s VAL 14 Ca -0.04 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3a6p s VAL 14 Cb -0.14 -2.35 0.05 0.00 0.00 0.00 0.00 36.38 33.94 3a6p s VAL 14 CO 0.04 0.51 -0.12 -0.22 0.00 0.00 0.00 175.10 175.32 3a6p s LEU 15 N 0.43 2.62 0.33 3.92 2.96 -0.89 -0.76 118.68 127.28 3a6p s LEU 15 Ca -0.09 -1.02 0.04 0.00 -0.22 0.00 0.00 54.13 52.84 3a6p s LEU 15 Cb -0.16 -1.36 -0.06 0.00 0.50 0.00 0.00 46.19 45.11 3a6p s LEU 15 CO 0.05 -0.14 0.06 0.68 -1.32 0.00 0.00 176.35 175.67 3a6p s VAL 16 N 1.29 1.20 0.00 1.68 -7.23 -0.72 -2.58 120.40 114.05 3a6p s VAL 16 Ca -0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 3a6p s VAL 16 Cb -0.17 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 33.98 3a6p s VAL 16 CO -0.08 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 3a6p n GLY 17 N -0.71 2.00 3.75 2.32 0.00 -1.26 -0.36 105.19 110.93 3a6p n GLY 17 Ca -0.02 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 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 4.24 0.18 1.61 1.01 -1.25 -3.81 116.67 118.64 3a6p s ASP 18 Ca 0.00 1.94 -0.30 0.00 0.71 0.00 0.00 52.55 54.90 3a6p s ASP 18 Cb 0.00 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.31 3a6p s ASP 18 CO 0.00 -2.22 1.34 -0.83 0.21 0.00 0.00 175.17 173.67 3a6p s GLY 19 N -3.10 2.31 0.00 0.21 0.00 -1.25 -3.39 107.32 102.11 3a6p s GLY 19 Ca 0.63 1.12 0.00 0.00 0.00 0.00 0.00 44.72 46.48 3a6p s GLY 19 CO 0.54 2.16 0.00 0.61 0.00 0.00 0.00 173.10 176.42 3a6p n GLY 20 N 2.68 0.73 0.00 0.20 0.00 -1.26 -4.95 105.19 102.59 3a6p n GLY 20 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.42 0.01 -0.10 2.61 -2.24 -1.22 -4.95 114.28 105.97 3a6p n THR 21 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3a6p n THR 21 Cb 0.00 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 1.50 1.83 0.10 3.38 0.00 -1.26 -4.65 105.19 106.09 3a6p n GLY 22 Ca 0.06 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 0.22 0.00 1.61 1.57 -1.92 -1.89 116.57 116.16 3a6p h LYS 23 Ca 0.00 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3a6p h LYS 23 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3a6p h LYS 23 CO 0.00 0.31 -0.48 1.15 -0.57 0.00 0.00 179.45 179.86 3a6p h THR 24 N 0.09 1.33 0.18 -0.16 2.02 -1.96 -2.72 112.91 111.69 3a6p h THR 24 Ca 0.05 -1.67 -0.31 0.00 0.77 0.00 0.00 66.41 65.25 3a6p h THR 24 Cb 0.17 1.91 0.03 0.00 -1.74 0.00 0.00 68.15 68.52 3a6p h THR 24 CO -0.00 0.47 -1.35 0.74 0.37 0.00 0.00 175.52 175.75 3a6p h THR 25 N 0.00 1.31 -0.56 3.16 2.02 -1.92 -0.43 112.91 116.48 3a6p h THR 25 Ca -0.00 -2.62 0.11 0.00 0.77 0.00 0.00 66.41 64.66 3a6p h THR 25 Cb 0.87 2.87 -0.10 0.00 -1.74 0.00 0.00 68.15 70.04 3a6p h THR 25 CO 0.06 0.79 -0.05 0.15 0.37 0.00 0.00 175.52 176.84 3a6p h PHE 26 N 0.20 -0.13 0.06 3.16 3.57 -1.19 -1.85 116.94 120.76 3a6p h PHE 26 Ca -0.21 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.33 3a6p h PHE 26 Cb 2.03 0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.92 3a6p h PHE 26 CO 0.11 -0.18 -0.03 0.28 -2.23 0.00 0.00 178.31 176.26 3a6p h VAL 27 N 0.07 1.15 -1.45 1.41 2.07 -1.44 -2.96 116.25 115.09 3a6p h VAL 27 Ca 0.28 -1.55 0.45 0.00 0.82 0.00 0.00 66.70 66.70 3a6p h VAL 27 Cb 0.44 2.05 -0.10 0.00 -1.52 0.00 0.00 31.29 32.16 3a6p h VAL 27 CO -0.51 0.34 0.99 0.50 0.02 0.00 0.00 177.57 178.90 3a6p h LYS 28 N -0.88 0.07 0.31 1.57 3.64 -1.07 -0.30 116.57 119.91 3a6p h LYS 28 Ca -0.01 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3a6p h LYS 28 Cb 0.62 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3a6p h LYS 28 CO 0.01 0.05 -0.15 -0.09 -2.27 0.00 0.00 179.45 177.00 3a6p h ARG 29 N 0.07 -0.41 -0.90 1.90 2.43 -1.30 -1.63 114.38 114.55 3a6p h ARG 29 Ca 0.80 0.03 0.24 0.00 -0.81 0.00 0.00 59.98 60.24 3a6p h ARG 29 Cb 2.78 0.09 -0.13 0.00 -0.42 0.00 0.00 29.97 32.29 3a6p h ARG 29 CO -0.25 -0.20 0.34 0.45 -1.51 0.00 0.00 179.97 178.79 3a6p h HIS 30 N -1.08 0.54 0.34 2.20 3.86 -1.15 0.49 115.15 120.35 3a6p h HIS 30 Ca -0.04 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3a6p h HIS 30 Cb 0.39 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.77 3a6p h HIS 30 CO 0.02 -0.13 -0.16 1.25 0.86 0.00 0.00 177.93 179.76 3a6p h LEU 31 N 0.30 -0.38 0.09 2.43 7.12 -1.08 -3.41 115.31 120.39 3a6p h LEU 31 Ca 0.57 0.01 -0.27 0.00 0.13 0.00 0.00 57.88 58.32 3a6p h LEU 31 Cb 1.14 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.36 3a6p h LEU 31 CO -0.59 -0.05 -1.44 0.71 -0.13 0.00 0.00 178.44 176.94 3a6p h THR 32 N -0.90 0.96 0.00 1.05 1.35 -1.32 -3.49 112.91 110.56 3a6p h THR 32 Ca -0.05 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 3a6p h THR 32 Cb 0.35 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 3a6p h THR 32 CO 0.08 0.66 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 3a6p n GLY 33 N 1.72 1.35 3.49 5.82 0.00 0.17 -5.05 105.19 112.69 3a6p n GLY 33 Ca -0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.05 1.79 -0.11 1.61 2.02 -1.25 -4.99 118.70 117.72 3a6p s GLU 34 Ca 0.00 -1.17 -0.19 0.00 0.02 0.00 0.00 54.97 53.63 3a6p s GLU 34 Cb 0.00 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 3a6p s GLU 34 CO 0.00 0.48 0.50 0.12 0.02 0.00 0.00 175.26 176.38 3a6p s PHE 35 N -1.14 3.53 -0.23 1.61 2.19 -1.26 -3.83 117.98 118.86 3a6p s PHE 35 Ca 0.18 0.93 -0.11 0.00 0.33 0.00 0.00 56.93 58.26 3a6p s PHE 35 Cb -0.11 -2.57 -0.05 0.00 -1.31 0.00 0.00 43.02 38.99 3a6p s PHE 35 CO 0.10 0.18 0.16 -2.00 1.83 0.00 0.00 175.22 175.49 3a6p s GLU 36 N 0.57 4.10 -0.10 10.12 2.56 -1.26 -5.00 118.70 129.69 3a6p s GLU 36 Ca 0.27 -0.24 -0.14 0.00 0.00 0.00 0.00 54.97 54.86 3a6p s GLU 36 Cb -0.15 -3.52 -0.28 0.00 2.00 0.00 0.00 34.13 32.18 3a6p s GLU 36 CO 0.11 0.10 0.55 0.87 -0.56 0.00 0.00 175.26 176.33 3a6p h LYS 37 N 7.34 0.27 -5.94 4.30 1.57 -2.02 -3.47 116.57 118.64 3a6p h LYS 37 Ca -0.39 -0.47 -0.57 0.00 -1.87 0.00 0.00 60.65 57.36 3a6p h LYS 37 Cb 1.17 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 33.59 3a6p h LYS 37 CO 0.68 1.22 0.04 0.15 -0.57 0.00 0.00 179.45 180.97 3a6p s LYS 38 N -2.51 4.40 -1.13 3.15 3.01 -1.26 -4.98 119.74 120.43 3a6p s LYS 38 Ca -0.20 0.76 -0.21 0.00 -1.01 0.00 0.00 55.97 55.32 3a6p s LYS 38 Cb 0.05 -3.45 -0.07 0.00 -1.01 0.00 0.00 37.83 33.35 3a6p s LYS 38 CO 0.78 0.06 1.92 0.98 0.51 0.00 0.00 175.35 179.60 3a6p n TYR 39 N 3.85 2.95 -2.49 3.18 9.36 -1.26 -4.93 117.16 127.82 3a6p n TYR 39 Ca -0.03 -1.93 -0.43 0.00 3.32 0.00 0.00 57.90 58.84 3a6p n TYR 39 Cb 0.51 -2.39 -0.02 0.00 -0.63 0.00 0.00 39.34 36.81 3a6p n TYR 39 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3a6p s VAL 40 N 7.63 4.02 0.25 2.97 1.01 -1.26 -4.97 120.40 130.06 3a6p s VAL 40 Ca 0.61 1.00 -0.31 0.00 0.00 0.00 0.00 61.98 63.29 3a6p s VAL 40 Cb 0.05 -4.47 -0.13 0.00 0.00 0.00 0.00 36.38 31.84 3a6p s VAL 40 CO 0.10 -1.00 1.53 0.00 0.00 0.00 0.00 175.10 175.73 3a6p n ALA 41 N 8.50 1.88 -1.76 5.51 0.00 -1.26 -4.95 120.51 128.43 3a6p n ALA 41 Ca 0.13 0.40 -0.40 0.00 0.00 0.00 0.00 53.44 53.57 3a6p n ALA 41 Cb 0.49 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.50 3a6p n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3a6p s THR 42 N 0.13 4.08 -0.39 0.00 2.01 -1.26 -5.05 115.64 115.16 3a6p s THR 42 Ca 0.68 2.07 -0.01 0.00 0.31 0.00 0.00 61.69 64.74 3a6p s THR 42 Cb -0.57 -4.31 0.11 0.00 0.01 0.00 0.00 72.50 67.73 3a6p s THR 42 CO 0.47 0.48 0.16 -0.76 -0.69 0.00 0.00 174.62 174.28 3a6p s LEU 43 N -1.23 5.11 0.00 4.42 1.02 -1.26 -4.65 118.68 122.10 3a6p s LEU 43 Ca 0.41 -2.08 0.00 0.00 0.02 0.00 0.00 54.13 52.48 3a6p s LEU 43 Cb -0.26 -1.77 0.00 0.00 0.02 0.00 0.00 46.19 44.18 3a6p s LEU 43 CO 0.31 -0.49 0.00 0.61 0.02 0.00 0.00 176.35 176.80 3a6p n GLY 44 N 4.48 2.41 3.55 -3.19 0.00 0.28 -4.81 105.19 107.90 3a6p n GLY 44 Ca -0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.19 1.61 0.11 -1.26 -1.82 120.40 118.85 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 0.06 0.00 -1.53 0.00 0.00 36.38 33.91 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 -1.58 0.57 -0.12 1.54 0.41 -1.13 -4.96 118.70 113.44 3a6p s GLU 46 Ca -0.03 -0.38 -0.26 0.00 -0.41 0.00 0.00 54.97 53.89 3a6p s GLU 46 Cb -0.00 -2.08 -0.02 0.00 -1.78 0.00 0.00 34.13 30.25 3a6p s GLU 46 CO 0.01 -0.65 0.85 0.08 -0.49 0.00 0.00 175.26 175.07 3a6p s VAL 47 N 1.90 4.90 -0.05 2.63 1.01 -1.26 -2.34 120.40 127.19 3a6p s VAL 47 Ca -0.01 1.71 0.02 0.00 0.00 0.00 0.00 61.98 63.71 3a6p s VAL 47 Cb -0.17 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.05 3a6p s VAL 47 CO -0.08 0.08 -0.10 -1.00 0.00 0.00 0.00 175.10 174.00 3a6p s HIS 48 N 1.74 1.21 -0.12 5.22 3.76 0.28 -4.91 115.29 122.47 3a6p s HIS 48 Ca 0.41 -0.38 -0.22 0.00 -0.15 0.00 0.00 55.06 54.71 3a6p s HIS 48 Cb -0.18 -0.89 -0.03 0.00 1.11 0.00 0.00 32.58 32.59 3a6p s HIS 48 CO 0.16 -0.20 0.68 -1.25 -0.85 0.00 0.00 174.74 173.28 3a6p s PRO 49 N 0.51 4.35 -0.16 8.40 0.05 -1.26 0.13 135.00 147.04 3a6p s PRO 49 Ca -0.10 0.79 0.01 0.00 0.05 0.00 0.00 61.00 61.75 3a6p s PRO 49 Cb -0.13 -3.49 0.02 0.00 0.05 0.00 0.00 34.50 30.94 3a6p s PRO 49 CO 0.02 -0.05 -0.17 -0.51 0.05 0.00 0.00 177.00 176.34 3a6p s LEU 50 N 1.22 1.87 0.05 -3.56 1.43 0.22 -4.92 118.68 114.99 3a6p s LEU 50 Ca 0.34 -0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 3a6p s LEU 50 Cb -0.17 -1.29 -0.06 0.00 0.03 0.00 0.00 46.19 44.70 3a6p s LEU 50 CO 0.15 -0.02 0.38 -0.69 0.23 0.00 0.00 176.35 176.39 3a6p s VAL 51 N 1.32 5.12 -0.10 -1.59 1.01 -1.26 0.38 120.40 125.29 3a6p s VAL 51 Ca 0.03 0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 3a6p s VAL 51 Cb -0.13 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.64 3a6p s VAL 51 CO -0.10 0.37 0.01 -0.36 0.00 0.00 0.00 175.10 175.02 3a6p s PHE 52 N -1.30 0.74 -0.79 5.22 0.40 0.17 -4.95 117.98 117.47 3a6p s PHE 52 Ca 0.30 -0.31 -0.25 0.00 -0.60 0.00 0.00 56.93 56.08 3a6p s PHE 52 Cb -0.14 -0.85 0.05 0.00 0.51 0.00 0.00 43.02 42.59 3a6p s PHE 52 CO 0.16 -0.39 1.22 -1.01 0.70 0.00 0.00 175.22 175.91 3a6p s HIS 53 N 1.95 2.48 0.81 0.36 3.76 -1.26 -1.27 115.29 122.13 3a6p s HIS 53 Ca 0.04 -0.42 -0.05 0.00 -0.15 0.00 0.00 55.06 54.48 3a6p s HIS 53 Cb -0.13 -4.54 0.16 0.00 1.11 0.00 0.00 32.58 29.18 3a6p s HIS 53 CO -0.06 -1.91 1.11 0.95 -0.85 0.00 0.00 174.74 173.99 3a6p s THR 54 N 4.97 2.04 -0.78 1.30 -4.23 -0.40 -4.79 115.64 113.76 3a6p s THR 54 Ca 0.34 -0.42 0.16 0.00 -1.18 0.00 0.00 61.69 60.59 3a6p s THR 54 Cb -0.08 -2.62 0.15 0.00 1.34 0.00 0.00 72.50 71.28 3a6p s THR 54 CO 0.07 0.00 1.49 -0.46 -0.54 0.00 0.00 174.62 175.18 3a6p n ASN 55 N -3.16 0.25 -0.94 3.99 6.94 -0.86 -2.22 115.26 119.26 3a6p n ASN 55 Ca 0.16 0.57 0.02 0.00 -0.02 0.00 0.00 54.58 55.31 3a6p n ASN 55 Cb 0.60 -0.62 0.22 0.00 -2.36 0.00 0.00 39.78 37.62 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 -1.78 2.18 0.00 -3.83 5.12 -1.26 -5.04 116.66 112.04 3a6p n ARG 56 Ca 0.02 -3.00 0.00 0.00 -1.93 0.00 0.00 57.85 52.94 3a6p n ARG 56 Cb 0.15 -1.79 0.00 0.00 -1.16 0.00 0.00 32.46 29.66 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 -0.93 -3.71 3.76 -0.13 0.00 -0.94 -4.95 105.19 98.28 3a6p n GLY 57 Ca 0.27 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.98 4.43 -0.04 1.61 0.02 -1.26 -1.28 135.00 137.50 3a6p s PRO 58 Ca 0.00 2.07 0.01 0.00 0.02 0.00 0.00 61.00 63.10 3a6p s PRO 58 Cb 0.00 -3.14 0.02 0.00 0.02 0.00 0.00 34.50 31.40 3a6p s PRO 58 CO 0.00 -0.12 -0.05 0.42 -0.33 0.00 0.00 177.00 176.92 3a6p s ILE 59 N -0.72 0.59 -0.02 2.83 -1.09 -0.39 -3.81 121.20 118.59 3a6p s ILE 59 Ca 0.51 -0.16 0.05 0.00 -2.23 0.00 0.00 60.65 58.82 3a6p s ILE 59 Cb -0.37 -0.60 -0.03 0.00 -1.58 0.00 0.00 42.46 39.88 3a6p s ILE 59 CO 0.45 0.23 -0.17 -0.75 -1.23 0.00 0.00 174.94 173.48 3a6p s LYS 60 N 0.86 2.33 -0.15 2.79 2.36 -1.26 0.44 119.74 127.11 3a6p s LYS 60 Ca -0.12 -0.81 0.00 0.00 -2.55 0.00 0.00 55.97 52.49 3a6p s LYS 60 Cb -0.15 -2.28 0.03 0.00 -1.05 0.00 0.00 37.83 34.38 3a6p s LYS 60 CO 0.01 0.59 -0.12 -0.06 1.55 0.00 0.00 175.35 177.31 3a6p s PHE 61 N -0.78 2.05 -0.53 4.03 0.08 0.16 0.15 117.98 123.14 3a6p s PHE 61 Ca 0.12 -1.16 -0.19 0.00 0.12 0.00 0.00 56.93 55.82 3a6p s PHE 61 Cb -0.11 -1.53 0.07 0.00 -0.57 0.00 0.00 43.02 40.89 3a6p s PHE 61 CO 0.02 -0.65 0.62 -0.80 -0.10 0.00 0.00 175.22 174.32 3a6p s ASN 62 N 1.52 6.20 -0.32 1.36 0.01 0.66 0.72 114.94 125.09 3a6p s ASN 62 Ca 0.04 -1.12 -0.16 0.00 -0.71 0.00 0.00 52.86 50.92 3a6p s ASN 62 Cb -0.13 -2.28 -0.02 0.00 0.41 0.00 0.00 41.25 39.23 3a6p s ASN 62 CO -0.10 -0.93 0.40 -0.69 -1.51 0.00 0.00 177.10 174.26 3a6p s VAL 63 N 2.54 5.14 -0.87 1.60 1.01 0.12 0.56 120.40 130.49 3a6p s VAL 63 Ca 0.13 0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.18 3a6p s VAL 63 Cb -0.21 -3.82 0.14 0.00 0.00 0.00 0.00 36.38 32.49 3a6p s VAL 63 CO 0.10 -0.05 1.03 0.26 0.00 0.00 0.00 175.10 176.44 3a6p s TRP 64 N 2.11 3.17 -1.17 5.22 0.52 0.20 -0.56 118.94 128.43 3a6p s TRP 64 Ca 0.14 -1.39 -0.22 0.00 0.02 0.00 0.00 56.10 54.66 3a6p s TRP 64 Cb -0.16 -4.20 -0.03 0.00 -1.15 0.00 0.00 33.47 27.94 3a6p s TRP 64 CO 0.12 -1.41 1.84 0.34 0.02 0.00 0.00 176.95 177.85 3a6p s ASP 65 N 3.42 5.69 -0.06 2.95 2.15 -0.99 -2.09 116.67 127.73 3a6p s ASP 65 Ca 0.28 -1.77 -0.23 0.00 0.43 0.00 0.00 52.55 51.26 3a6p s ASP 65 Cb -0.08 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.92 3a6p s ASP 65 CO -0.07 -2.36 0.69 0.42 -0.17 0.00 0.00 175.17 173.68 3a6p s THR 66 N 8.46 5.04 0.06 1.71 -4.23 -1.06 -2.82 115.64 122.80 3a6p s THR 66 Ca 0.63 1.43 -0.31 0.00 -1.18 0.00 0.00 61.69 62.26 3a6p s THR 66 Cb 0.00 -4.03 -0.07 0.00 1.34 0.00 0.00 72.50 69.74 3a6p s THR 66 CO 0.08 0.26 1.51 0.00 -0.54 0.00 0.00 174.62 175.93 3a6p s ALA 67 N 0.75 3.64 -2.45 3.99 0.00 -0.76 -4.68 121.76 122.25 3a6p s ALA 67 Ca 0.37 1.08 0.23 0.00 0.00 0.00 0.00 51.96 53.64 3a6p s ALA 67 Cb -0.18 -3.63 0.45 0.00 0.00 0.00 0.00 23.12 19.77 3a6p s ALA 67 CO 0.18 -0.93 1.42 0.41 0.00 0.00 0.00 175.76 176.84 3a6p n GLY 68 N 3.76 1.81 3.64 0.00 0.00 -1.25 -4.16 105.19 108.99 3a6p n GLY 68 Ca 0.14 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.45 3.98 0.16 1.61 -0.44 -1.26 -3.76 119.66 118.49 3a6p s GLN 69 Ca 0.40 1.80 -0.03 0.00 -2.50 0.00 0.00 55.36 55.03 3a6p s GLN 69 Cb 0.23 -3.97 0.30 0.00 -1.64 0.00 0.00 33.01 27.93 3a6p s GLN 69 CO 0.32 -1.07 0.86 -1.91 0.50 0.00 0.00 175.29 173.99 3a6p n GLU 70 N 7.34 -0.05 -1.48 1.67 4.07 -1.26 -0.72 120.64 130.20 3a6p n GLU 70 Ca 0.17 0.85 -0.30 0.00 -0.06 0.00 0.00 57.16 57.82 3a6p n GLU 70 Cb 0.44 -1.29 0.08 0.00 -0.06 0.00 0.00 31.44 30.61 3a6p n GLU 70 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3a6p n LYS 71 N -4.83 2.86 0.00 5.31 4.76 -1.26 -4.34 118.16 120.66 3a6p n LYS 71 Ca 0.10 -3.49 0.00 0.00 -2.87 0.00 0.00 58.31 52.04 3a6p n LYS 71 Cb 0.31 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.24 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 -0.89 0.00 -2.75 2.13 3.01 0.10 -5.06 117.46 114.00 3a6p n PHE 72 Ca 0.57 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.61 3a6p n PHE 72 Cb 0.81 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.25 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 2.64 0.00 1.37 0.00 -1.21 0.10 107.32 110.22 3a6p s GLY 73 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.12 3a6p s GLY 73 CO 0.00 1.70 0.04 0.61 0.00 0.00 0.00 173.10 175.46 3a6p n GLY 74 N 3.03 0.28 0.09 0.20 0.00 -1.26 -4.41 105.19 103.12 3a6p n GLY 74 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3a6p n GLY 74 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a6p h LEU 75 N 0.00 0.00 0.00 0.99 4.07 -1.93 -3.49 115.31 114.95 3a6p h LEU 75 Ca 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.83 3a6p h LEU 75 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3a6p h LEU 75 CO 0.00 0.07 0.00 0.54 -1.08 0.00 0.00 178.44 177.97 3a6p n ARG 76 N -2.35 0.00 -0.27 1.13 3.00 -1.26 -2.08 116.66 114.83 3a6p n ARG 76 Ca 0.02 0.00 0.33 0.00 -0.01 0.00 0.00 57.85 58.19 3a6p n ARG 76 Cb 0.48 0.00 0.74 0.00 0.00 0.00 0.00 32.46 33.67 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 0.00 0.66 0.55 5.19 -1.96 0.11 116.42 120.96 3a6p h ASP 77 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3a6p h ASP 77 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3a6p h ASP 77 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 3a6p n GLY 78 N -1.74 -1.22 0.16 2.75 0.00 -0.88 -2.34 105.19 101.92 3a6p n GLY 78 Ca 0.23 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.26 3a6p n GLY 78 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3a6p h TYR 79 N 0.00 0.00 0.00 1.61 0.05 -1.03 -3.28 116.97 114.32 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 0.33 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.07 3a6p h TYR 79 CO 0.00 0.04 0.00 0.66 -1.05 0.00 0.00 178.16 177.81 3a6p n TYR 80 N -2.89 0.00 -2.40 4.88 4.01 -0.99 -4.83 117.16 114.95 3a6p n TYR 80 Ca 0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 3a6p n TYR 80 Cb 0.56 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.56 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 -2.00 3.85 -1.35 -0.72 1.01 -1.24 -3.11 121.20 117.64 3a6p s ILE 81 Ca 0.28 1.40 -0.07 0.00 0.00 0.00 0.00 60.65 62.25 3a6p s ILE 81 Cb 0.13 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.70 3a6p s ILE 81 CO 0.21 0.15 0.48 0.00 0.00 0.00 0.00 174.94 175.78 3a6p n GLN 82 N 3.43 -2.37 -3.63 2.79 6.02 -1.26 -4.99 117.38 117.37 3a6p n GLN 82 Ca 0.07 0.36 -0.34 0.00 -0.01 0.00 0.00 57.00 57.08 3a6p n GLN 82 Cb 0.46 -4.18 -0.05 0.00 1.02 0.00 0.00 30.24 27.48 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 -3.86 3.76 -0.38 -1.58 0.00 -1.18 -4.85 121.76 113.66 3a6p s ALA 83 Ca 0.14 -0.44 0.07 0.00 0.00 0.00 0.00 51.96 51.74 3a6p s ALA 83 Cb -0.06 -2.21 -0.07 0.00 0.00 0.00 0.00 23.12 20.78 3a6p s ALA 83 CO 0.90 0.59 0.33 0.00 0.00 0.00 0.00 175.76 177.59 3a6p n GLN 84 N 0.91 4.33 -3.60 0.00 10.64 -1.02 -4.95 117.38 123.69 3a6p n GLN 84 Ca -0.08 -0.07 -0.11 0.00 -1.83 0.00 0.00 57.00 54.91 3a6p n GLN 84 Cb 0.52 -0.86 -0.06 0.00 -0.86 0.00 0.00 30.24 28.99 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 -0.59 0.43 -0.26 0.00 0.00 -0.83 -1.76 121.76 118.75 3a6p s ALA 86 Ca -0.01 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 3a6p s ALA 86 Cb -0.02 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.17 3a6p s ALA 86 CO -0.01 -0.04 -0.02 0.42 0.00 0.00 0.00 175.76 176.11 3a6p s ILE 87 N -1.23 3.22 -0.22 0.00 1.01 0.06 -1.41 121.20 122.63 3a6p s ILE 87 Ca -0.10 -0.89 -0.23 0.00 0.00 0.00 0.00 60.65 59.43 3a6p s ILE 87 Cb -0.09 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 3a6p s ILE 87 CO -0.00 0.18 0.74 -0.63 0.00 0.00 0.00 174.94 175.23 3a6p s ILE 88 N 1.38 4.92 -0.09 2.92 1.01 -0.44 -1.76 121.20 129.14 3a6p s ILE 88 Ca 0.01 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.06 3a6p s ILE 88 Cb -0.17 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 3a6p s ILE 88 CO -0.02 0.02 -0.07 -0.32 0.00 0.00 0.00 174.94 174.54 3a6p s MET 89 N 2.38 2.97 0.07 2.79 1.75 0.51 -1.08 119.30 128.69 3a6p s MET 89 Ca 0.32 -0.56 0.00 0.00 -1.25 0.00 0.00 55.69 54.20 3a6p s MET 89 Cb -0.16 -2.64 -0.04 0.00 2.84 0.00 0.00 34.83 34.83 3a6p s MET 89 CO 0.09 0.54 -0.05 -0.59 -0.65 0.00 0.00 175.02 174.37 3a6p s PHE 90 N -0.48 0.67 -0.12 4.11 -0.12 0.10 -3.92 117.98 118.22 3a6p s PHE 90 Ca 0.07 -0.96 -0.13 0.00 -0.05 0.00 0.00 56.93 55.86 3a6p s PHE 90 Cb -0.12 -0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 41.79 3a6p s PHE 90 CO 0.02 -0.26 0.29 0.34 -0.05 0.00 0.00 175.22 175.56 3a6p s ASP 91 N -2.86 6.50 0.00 1.98 2.15 -1.26 -0.35 116.67 122.83 3a6p s ASP 91 Ca 0.07 0.59 0.30 0.00 0.43 0.00 0.00 52.55 53.94 3a6p s ASP 91 Cb 0.05 -2.18 1.53 0.00 -0.30 0.00 0.00 42.92 42.03 3a6p s ASP 91 CO -0.07 0.19 2.05 1.33 -0.17 0.00 0.00 175.17 178.49 3a6p n VAL 92 N 3.01 0.02 0.12 1.11 0.24 -1.07 -2.52 118.33 119.25 3a6p n VAL 92 Ca -0.13 0.01 -0.20 0.00 -2.04 0.00 0.00 64.34 61.97 3a6p n VAL 92 Cb 0.52 -0.52 -0.15 0.00 -1.47 0.00 0.00 33.84 32.23 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 1.40 -3.65 3.34 2.02 -1.86 -1.64 112.91 112.51 3a6p h THR 93 Ca 0.00 -2.88 -0.67 0.00 0.77 0.00 0.00 66.41 63.64 3a6p h THR 93 Cb 0.25 2.98 -0.23 0.00 -1.74 0.00 0.00 68.15 69.40 3a6p h THR 93 CO 0.00 0.85 -0.57 -0.55 0.37 0.00 0.00 175.52 175.62 3a6p s SER 94 N -7.36 5.44 0.34 4.18 0.15 -1.05 -4.71 113.70 110.69 3a6p s SER 94 Ca -0.06 -0.49 0.03 0.00 0.70 0.00 0.00 55.95 56.13 3a6p s SER 94 Cb 0.06 -1.98 0.60 0.00 -1.71 0.00 0.00 66.02 62.99 3a6p s SER 94 CO 0.91 -0.17 1.91 0.03 1.20 0.00 0.00 173.24 177.13 3a6p h ARG 95 N 8.32 0.63 -0.99 5.44 3.08 -1.86 -2.53 114.38 126.48 3a6p h ARG 95 Ca -0.33 -0.10 0.10 0.00 0.07 0.00 0.00 59.98 59.72 3a6p h ARG 95 Cb 1.15 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 31.01 3a6p h ARG 95 CO 0.61 0.57 0.63 0.28 -1.07 0.00 0.00 179.97 180.98 3a6p h VAL 96 N 0.62 0.97 -0.24 2.04 2.07 -1.92 -2.83 116.25 116.97 3a6p h VAL 96 Ca 0.14 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 3a6p h VAL 96 Cb 0.21 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 3a6p h VAL 96 CO -0.01 0.19 -0.10 0.71 0.02 0.00 0.00 177.57 178.38 3a6p h THR 97 N 1.02 1.20 0.00 2.57 1.35 -1.72 -0.22 112.91 117.11 3a6p h THR 97 Ca 0.47 -0.86 -0.07 0.00 -0.55 0.00 0.00 66.41 65.40 3a6p h THR 97 Cb 0.40 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 3a6p h THR 97 CO -0.23 0.28 -0.32 0.22 -0.25 0.00 0.00 175.52 175.22 3a6p h TYR 98 N 0.36 0.00 0.00 4.73 3.20 -1.62 -3.00 116.97 120.64 3a6p h TYR 98 Ca 0.07 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 3a6p h TYR 98 Cb 0.40 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3a6p h TYR 98 CO 0.01 0.32 -0.42 0.87 -1.64 0.00 0.00 178.16 177.30 3a6p h LYS 99 N 0.00 0.00 -0.15 1.82 1.57 -0.89 -3.02 116.57 115.91 3a6p h LYS 99 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3a6p h LYS 99 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3a6p h LYS 99 CO 0.04 0.42 0.00 0.09 -0.57 0.00 0.00 179.45 179.43 3a6p n ASN 100 N -3.81 2.19 0.09 0.86 3.02 -0.77 -4.20 115.26 112.63 3a6p n ASN 100 Ca -0.01 -1.76 -0.13 0.00 -0.03 0.00 0.00 54.58 52.65 3a6p n ASN 100 Cb 0.48 -0.09 -0.08 0.00 -0.61 0.00 0.00 39.78 39.48 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 3.09 0.94 -0.12 2.41 2.07 -1.39 -2.15 116.25 121.09 3a6p h VAL 101 Ca 0.00 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.35 3a6p h VAL 101 Cb 0.67 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3a6p h VAL 101 CO 0.00 0.05 0.18 -0.65 0.02 0.00 0.00 177.57 177.17 3a6p h PRO 102 N -0.25 0.00 0.17 1.57 0.11 -1.80 -1.13 132.00 130.67 3a6p h PRO 102 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 3a6p h PRO 102 Cb 0.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3a6p h PRO 102 CO 0.03 0.00 -0.08 -0.91 -0.21 0.00 0.00 178.00 176.83 3a6p h ASN 103 N 0.00 -0.19 -0.17 -2.05 4.21 -1.66 -2.44 115.58 113.27 3a6p h ASN 103 Ca 0.06 -0.34 0.05 0.00 1.21 0.00 0.00 56.30 57.27 3a6p h ASN 103 Cb 0.43 0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 3a6p h ASN 103 CO -0.00 0.35 0.31 -0.50 -1.29 0.00 0.00 177.43 176.30 3a6p h TRP 104 N -0.85 0.00 0.17 1.19 4.06 -0.83 -2.82 115.95 116.86 3a6p h TRP 104 Ca -0.02 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 3a6p h TRP 104 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 3a6p h TRP 104 CO 0.08 0.00 -0.08 1.25 -3.56 0.00 0.00 178.44 176.13 3a6p h HIS 105 N 0.00 -0.21 -0.74 0.49 2.76 -1.21 -3.22 115.15 113.02 3a6p h HIS 105 Ca 0.08 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.39 3a6p h HIS 105 Cb 0.71 0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.69 3a6p h HIS 105 CO 0.00 -0.13 0.50 -0.09 -1.30 0.00 0.00 177.93 176.91 3a6p h ARG 106 N -0.97 0.41 -0.55 5.26 1.12 -1.36 0.48 114.38 118.78 3a6p h ARG 106 Ca -0.02 -0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 58.78 3a6p h ARG 106 Cb 0.17 -0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 30.01 3a6p h ARG 106 CO 0.04 0.27 0.16 -0.44 -3.11 0.00 0.00 179.97 176.89 3a6p h ASP 107 N 0.43 0.76 -0.00 -3.80 5.19 -1.66 -2.55 116.42 114.79 3a6p h ASP 107 Ca 0.36 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.65 3a6p h ASP 107 Cb 0.81 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.12 3a6p h ASP 107 CO -0.12 0.74 -0.01 -0.07 -3.12 0.00 0.00 179.24 176.66 3a6p h LEU 108 N 0.80 0.00 -1.29 1.55 3.38 -0.07 -3.10 115.31 116.59 3a6p h LEU 108 Ca 0.18 -0.79 -0.00 0.00 0.09 0.00 0.00 57.88 57.36 3a6p h LEU 108 Cb 0.26 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3a6p h LEU 108 CO -0.01 0.79 -0.01 -0.37 0.09 0.00 0.00 178.44 178.94 3a6p h VAL 109 N -0.78 0.03 -0.01 1.22 -1.51 -1.40 -0.60 116.25 113.19 3a6p h VAL 109 Ca -0.00 -0.59 -0.12 0.00 -1.23 0.00 0.00 66.70 64.75 3a6p h VAL 109 Cb 0.80 1.58 0.01 0.00 -2.13 0.00 0.00 31.29 31.54 3a6p h VAL 109 CO 0.00 0.01 -0.47 -0.09 -1.23 0.00 0.00 177.57 175.79 3a6p h ARG 110 N 0.00 0.34 -0.02 5.19 9.65 -1.51 -3.12 114.38 124.90 3a6p h ARG 110 Ca -0.00 -0.35 -0.05 0.00 -1.10 0.00 0.00 59.98 58.48 3a6p h ARG 110 Cb 0.58 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 3a6p h ARG 110 CO 0.00 1.03 -0.18 0.28 2.80 0.00 0.00 179.97 183.91 3a6p h VAL 111 N -0.21 1.50 -3.03 0.20 2.07 -1.38 -3.42 116.25 111.98 3a6p h VAL 111 Ca -0.06 -1.74 -0.57 0.00 0.82 0.00 0.00 66.70 65.15 3a6p h VAL 111 Cb 1.19 2.57 -0.40 0.00 -1.52 0.00 0.00 31.29 33.13 3a6p h VAL 111 CO 0.09 0.48 -0.76 0.00 0.02 0.00 0.00 177.57 177.39 3a6p s GLU 113 N 1.62 3.77 -1.14 0.00 -1.05 -1.18 -4.06 118.70 116.66 3a6p s GLU 113 Ca 0.11 1.02 0.00 0.00 -0.15 0.00 0.00 54.97 55.94 3a6p s GLU 113 Cb -0.18 -2.11 0.00 0.00 -0.44 0.00 0.00 34.13 31.41 3a6p s GLU 113 CO -0.25 -0.43 0.00 0.09 0.95 0.00 0.00 175.26 175.62 3a6p n ASN 114 N -1.74 -4.13 -4.86 0.83 4.13 -1.26 -5.01 115.26 103.22 3a6p n ASN 114 Ca 0.07 0.17 -0.36 0.00 1.68 0.00 0.00 54.58 56.14 3a6p n ASN 114 Cb 0.54 -2.93 -0.06 0.00 -1.54 0.00 0.00 39.78 35.79 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 -2.49 5.08 0.08 2.41 -4.36 -1.26 -5.05 121.20 115.62 3a6p s ILE 115 Ca 0.00 0.60 -0.32 0.00 -0.26 0.00 0.00 60.65 60.67 3a6p s ILE 115 Cb 0.00 -3.66 -0.11 0.00 1.25 0.00 0.00 42.46 39.94 3a6p s ILE 115 CO 0.00 0.41 1.85 -0.81 0.24 0.00 0.00 174.94 176.63 3a6p n PRO 116 N 1.29 2.67 -4.51 0.37 -0.04 -1.26 -4.90 135.00 128.63 3a6p n PRO 116 Ca -0.11 0.97 -0.33 0.00 -0.04 0.00 0.00 63.50 64.00 3a6p n PRO 116 Cb 0.52 -2.86 -0.16 0.00 -0.04 0.00 0.00 33.50 30.96 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 3.10 2.12 -0.10 0.52 1.01 -1.26 -1.97 121.20 124.63 3a6p s ILE 117 Ca 0.85 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 60.40 3a6p s ILE 117 Cb -0.52 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 3a6p s ILE 117 CO 0.40 0.54 0.37 -0.69 0.00 0.00 0.00 174.94 175.57 3a6p s VAL 118 N 0.95 5.20 -0.04 2.92 1.01 -0.50 -3.41 120.40 126.53 3a6p s VAL 118 Ca -0.04 0.74 -0.13 0.00 0.00 0.00 0.00 61.98 62.55 3a6p s VAL 118 Cb -0.15 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 3a6p s VAL 118 CO -0.05 0.44 0.34 -0.22 0.00 0.00 0.00 175.10 175.61 3a6p s LEU 119 N -0.05 4.44 -0.11 3.92 2.96 0.05 -1.33 118.68 128.55 3a6p s LEU 119 Ca 0.21 0.82 -0.03 0.00 -0.22 0.00 0.00 54.13 54.91 3a6p s LEU 119 Cb -0.15 -2.45 0.04 0.00 0.50 0.00 0.00 46.19 44.13 3a6p s LEU 119 CO 0.09 0.33 0.05 0.00 -1.32 0.00 0.00 176.35 175.49 3a6p s GLY 121 N 2.06 1.59 0.51 0.00 0.00 -1.18 -0.72 107.32 109.58 3a6p s GLY 121 Ca 0.03 -1.36 -0.03 0.00 0.00 0.00 0.00 44.72 43.37 3a6p s GLY 121 CO -0.06 1.77 0.78 0.21 0.00 0.00 0.00 173.10 175.79 3a6p s ASN 122 N 2.58 5.78 -0.78 1.64 2.47 0.53 -0.23 114.94 126.93 3a6p s ASN 122 Ca 0.25 0.53 -0.01 0.00 0.42 0.00 0.00 52.86 54.05 3a6p s ASN 122 Cb -0.15 -1.69 -0.01 0.00 -1.45 0.00 0.00 41.25 37.95 3a6p s ASN 122 CO 0.17 -0.83 0.66 0.29 -3.72 0.00 0.00 177.10 173.67 3a6p n LYS 123 N -2.30 -3.67 0.00 0.43 5.02 -0.63 -2.61 118.16 114.40 3a6p n LYS 123 Ca 0.02 0.57 0.15 0.00 -2.02 0.00 0.00 58.31 57.04 3a6p n LYS 123 Cb 0.57 -4.67 0.73 0.00 -0.02 0.00 0.00 35.03 31.64 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 -2.98 0.00 1.76 -0.18 0.24 -1.16 -3.25 118.33 112.75 3a6p n VAL 124 Ca -0.16 -0.06 0.15 0.00 -2.04 0.00 0.00 64.34 62.24 3a6p n VAL 124 Cb 0.61 -0.19 0.83 0.00 -1.47 0.00 0.00 33.84 33.62 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 -0.83 0.18 -4.64 -1.34 3.85 -1.26 -4.87 116.55 107.64 3a6p n ASP 125 Ca 0.18 -0.80 -0.41 0.00 -0.71 0.00 0.00 54.79 53.06 3a6p n ASP 125 Cb 0.23 -0.07 -0.06 0.00 -1.35 0.00 0.00 41.12 39.87 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 -2.19 4.94 0.00 2.12 1.01 -1.20 -4.97 121.20 120.91 3a6p s ILE 126 Ca 0.40 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.35 3a6p s ILE 126 Cb 0.21 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.68 3a6p s ILE 126 CO 0.40 0.01 0.00 0.29 0.00 0.00 0.00 174.94 175.64 3a6p n LYS 127 N 5.70 0.00 -4.19 2.79 5.02 -1.26 -3.96 118.16 122.27 3a6p n LYS 127 Ca 0.01 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.01 3a6p n LYS 127 Cb 0.49 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.33 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 2.62 -0.21 4.39 -4.77 -1.26 -5.10 116.67 112.34 3a6p s ASP 128 Ca 0.00 -0.47 -0.29 0.00 -3.30 0.00 0.00 52.55 48.49 3a6p s ASP 128 Cb 0.00 -1.16 -0.02 0.00 -1.09 0.00 0.00 42.92 40.66 3a6p s ASP 128 CO 0.00 -0.03 1.40 -0.13 0.70 0.00 0.00 175.17 177.11 3a6p s ARG 129 N 1.30 4.01 0.14 2.11 0.52 -1.25 -4.89 118.95 120.89 3a6p s ARG 129 Ca 0.01 1.57 -0.11 0.00 -0.52 0.00 0.00 55.73 56.67 3a6p s ARG 129 Cb -0.14 -3.89 -0.02 0.00 0.52 0.00 0.00 34.95 31.43 3a6p s ARG 129 CO -0.07 -1.00 1.52 0.87 0.02 0.00 0.00 175.30 176.63 3a6p h LYS 130 N 9.31 0.92 -5.76 3.54 1.79 -1.64 -3.39 116.57 121.35 3a6p h LYS 130 Ca -0.29 -0.41 -0.60 0.00 -2.18 0.00 0.00 60.65 57.17 3a6p h LYS 130 Cb 1.12 -0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 31.63 3a6p h LYS 130 CO 1.00 1.07 0.71 0.08 -1.08 0.00 0.00 179.45 181.22 3a6p s VAL 131 N -4.62 4.14 0.25 0.50 1.01 -0.69 -4.97 120.40 116.01 3a6p s VAL 131 Ca -0.12 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 3a6p s VAL 131 Cb 0.11 -4.75 -0.09 0.00 0.00 0.00 0.00 36.38 31.65 3a6p s VAL 131 CO 0.86 -1.57 1.22 -0.54 0.00 0.00 0.00 175.10 175.08 3a6p s LYS 132 N 4.59 4.48 0.55 2.72 1.02 -1.26 -4.89 119.74 126.94 3a6p s LYS 132 Ca 0.27 1.98 0.28 0.00 0.02 0.00 0.00 55.97 58.51 3a6p s LYS 132 Cb -0.14 -3.18 1.53 0.00 -0.52 0.00 0.00 37.83 35.52 3a6p s LYS 132 CO 0.12 -0.07 1.84 0.00 -0.92 0.00 0.00 175.35 176.32 3a6p h ALA 133 N 4.49 1.20 0.00 5.17 0.00 -1.95 0.01 119.26 128.17 3a6p h ALA 133 Ca -0.46 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3a6p h ALA 133 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3a6p h ALA 133 CO 0.71 -0.20 -0.69 0.87 0.00 0.00 0.00 179.25 179.94 3a6p h LYS 134 N 0.00 0.00 0.00 0.00 1.57 -2.02 -3.33 116.57 112.79 3a6p h LYS 134 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3a6p h LYS 134 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3a6p h LYS 134 CO 0.00 0.12 -0.37 -1.13 -0.57 0.00 0.00 179.45 177.50 3a6p n SER 135 N -2.92 0.60 -4.55 0.86 3.41 -0.01 -4.72 113.62 106.29 3a6p n SER 135 Ca -0.00 0.22 -0.38 0.00 -0.26 0.00 0.00 58.87 58.45 3a6p n SER 135 Cb 0.62 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 3a6p n SER 135 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3a6p s ILE 136 N -3.10 3.62 0.00 -1.33 1.01 -1.23 -4.77 121.20 115.40 3a6p s ILE 136 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.71 3a6p s ILE 136 Cb 0.15 -4.55 0.00 0.00 0.01 0.00 0.00 42.46 38.07 3a6p s ILE 136 CO 0.66 -1.48 0.40 1.33 0.00 0.00 0.00 174.94 175.85 3a6p n VAL 137 N 6.96 0.05 -0.16 2.92 0.24 -1.26 -4.84 118.33 122.23 3a6p n VAL 137 Ca 0.20 -0.39 -0.09 0.00 -2.04 0.00 0.00 64.34 62.02 3a6p n VAL 137 Cb 0.50 1.23 -0.00 0.00 -1.47 0.00 0.00 33.84 34.09 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 0.81 -0.31 6.34 3.57 -1.99 -2.51 116.94 122.84 3a6p h PHE 138 Ca 0.00 -0.11 0.09 0.00 3.53 0.00 0.00 57.97 61.48 3a6p h PHE 138 Cb 0.16 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3a6p h PHE 138 CO 0.00 0.76 0.24 1.12 -2.23 0.00 0.00 178.31 178.20 3a6p h HIS 139 N 0.62 0.00 0.02 0.41 2.07 -1.88 -0.97 115.15 115.42 3a6p h HIS 139 Ca 0.14 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.42 3a6p h HIS 139 Cb 0.39 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.34 3a6p h HIS 139 CO 0.03 0.00 -1.16 -0.09 -3.07 0.00 0.00 177.93 173.63 3a6p h ARG 140 N 0.00 0.04 0.00 5.12 2.43 -1.69 0.49 114.38 120.77 3a6p h ARG 140 Ca 0.15 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3a6p h ARG 140 Cb 0.63 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3a6p h ARG 140 CO -0.00 0.94 -0.44 -0.22 -1.51 0.00 0.00 179.97 178.74 3a6p h LYS 141 N 0.01 0.00 -0.14 0.20 3.11 -1.03 -3.21 116.57 115.52 3a6p h LYS 141 Ca -0.08 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 3a6p h LYS 141 Cb 1.84 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.07 3a6p h LYS 141 CO 0.13 0.44 0.00 1.63 -2.81 0.00 0.00 179.45 178.84 3a6p n LYS 142 N -3.44 2.57 -3.75 1.90 4.76 -0.74 -5.01 118.16 114.44 3a6p n LYS 142 Ca 0.00 -2.13 -0.30 0.00 -2.87 0.00 0.00 58.31 53.01 3a6p n LYS 142 Cb 0.59 -1.34 0.03 0.00 -1.84 0.00 0.00 35.03 32.47 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 -0.45 -3.90 -4.38 4.39 3.02 -0.55 -5.00 115.26 108.39 3a6p n ASN 143 Ca 0.10 -1.01 -0.26 0.00 -0.03 0.00 0.00 54.58 53.39 3a6p n ASN 143 Cb 0.50 -3.31 -0.12 0.00 -0.61 0.00 0.00 39.78 36.24 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 -6.62 2.38 0.33 3.41 1.43 0.16 -4.99 118.68 114.79 3a6p s LEU 144 Ca 0.34 -0.81 -0.27 0.00 -1.03 0.00 0.00 54.13 52.36 3a6p s LEU 144 Cb -0.12 -1.07 -0.09 0.00 0.03 0.00 0.00 46.19 44.93 3a6p s LEU 144 CO 0.87 0.10 1.08 -1.58 0.23 0.00 0.00 176.35 177.04 3a6p s GLN 145 N -2.42 4.42 0.01 1.70 2.00 -1.22 -4.54 119.66 119.61 3a6p s GLN 145 Ca 0.16 1.68 0.05 0.00 -2.00 0.00 0.00 55.36 55.25 3a6p s GLN 145 Cb -0.08 -2.90 -0.03 0.00 0.80 0.00 0.00 33.01 30.79 3a6p s GLN 145 CO 0.07 0.05 -0.13 -0.47 -0.50 0.00 0.00 175.29 174.31 3a6p s TYR 146 N -1.37 2.70 -0.11 1.67 5.04 -1.26 -0.77 117.35 123.24 3a6p s TYR 146 Ca 0.50 -0.16 -0.04 0.00 -2.44 0.00 0.00 57.07 54.94 3a6p s TYR 146 Cb -0.28 -1.55 0.06 0.00 0.35 0.00 0.00 41.96 40.54 3a6p s TYR 146 CO 0.35 0.28 0.17 0.71 -1.34 0.00 0.00 175.55 175.72 3a6p s TYR 147 N -0.91 -0.18 0.25 4.97 2.02 -1.01 -4.97 117.35 117.53 3a6p s TYR 147 Ca 0.15 0.51 -0.30 0.00 -0.37 0.00 0.00 57.07 57.06 3a6p s TYR 147 Cb -0.11 -0.30 -0.09 0.00 -0.40 0.00 0.00 41.96 41.06 3a6p s TYR 147 CO 0.05 -0.34 1.20 0.16 -1.57 0.00 0.00 175.55 175.05 3a6p s ASP 148 N 2.29 7.07 0.22 2.29 -4.77 -1.26 -3.13 116.67 119.39 3a6p s ASP 148 Ca 0.04 2.35 -0.07 0.00 -3.30 0.00 0.00 52.55 51.57 3a6p s ASP 148 Cb -0.13 -2.62 -0.02 0.00 -1.09 0.00 0.00 42.92 39.06 3a6p s ASP 148 CO -0.07 -0.34 0.30 0.27 0.70 0.00 0.00 175.17 176.03 3a6p s ILE 149 N -0.63 0.00 -0.16 2.11 -4.36 0.67 -4.64 121.20 114.20 3a6p s ILE 149 Ca 0.50 -1.70 -0.07 0.00 -0.26 0.00 0.00 60.65 59.12 3a6p s ILE 149 Cb -0.34 -2.35 0.07 0.00 1.25 0.00 0.00 42.46 41.09 3a6p s ILE 149 CO 0.41 -0.00 0.34 -0.55 0.24 0.00 0.00 174.94 175.38 3a6p s SER 150 N -3.09 -0.15 0.38 4.36 0.15 -1.06 -1.60 113.70 112.70 3a6p s SER 150 Ca 0.31 0.78 0.20 0.00 0.70 0.00 0.00 55.95 57.93 3a6p s SER 150 Cb 0.03 0.86 0.44 0.00 -1.71 0.00 0.00 66.02 65.64 3a6p s SER 150 CO 0.10 -0.21 1.62 0.00 1.20 0.00 0.00 173.24 175.95 3a6p h ALA 151 N 7.78 0.87 0.17 5.45 0.00 -1.94 0.90 119.26 132.48 3a6p h ALA 151 Ca -0.25 -0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.15 3a6p h ALA 151 Cb 1.14 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.90 3a6p h ALA 151 CO 0.21 0.35 -1.19 -0.22 0.00 0.00 0.00 179.25 178.40 3a6p h LYS 152 N 0.00 0.35 0.00 0.00 3.64 -1.96 -3.39 116.57 115.21 3a6p h LYS 152 Ca -0.00 -0.60 -0.16 0.00 -1.27 0.00 0.00 60.65 58.62 3a6p h LYS 152 Cb 1.07 0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 3a6p h LYS 152 CO 0.04 1.29 -1.02 1.03 -2.27 0.00 0.00 179.45 178.52 3a6p h SER 153 N -0.20 0.00 -0.31 4.20 0.87 -1.95 -3.48 113.55 112.68 3a6p h SER 153 Ca -0.23 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.20 3a6p h SER 153 Cb 1.83 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.74 3a6p h SER 153 CO 0.16 0.64 -0.12 0.59 -0.53 0.00 0.00 176.83 177.57 3a6p n ASN 154 N -3.10 -4.88 -4.65 6.23 4.13 0.31 -4.97 115.26 108.33 3a6p n ASN 154 Ca -0.04 0.16 -0.42 0.00 1.68 0.00 0.00 54.58 55.95 3a6p n ASN 154 Cb 0.83 -2.94 -0.03 0.00 -1.54 0.00 0.00 39.78 36.10 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 -1.87 1.98 -1.33 3.10 5.04 -1.23 -1.76 117.35 121.28 3a6p s TYR 155 Ca 0.00 0.29 -0.09 0.00 -2.44 0.00 0.00 57.07 54.84 3a6p s TYR 155 Cb 0.00 -3.93 0.01 0.00 0.35 0.00 0.00 41.96 38.39 3a6p s TYR 155 CO 0.00 -3.63 1.16 0.09 -1.34 0.00 0.00 175.55 171.83 3a6p n ASN 156 N 7.59 -6.19 -0.30 4.32 5.03 -1.26 -2.55 115.26 121.90 3a6p n ASN 156 Ca 0.18 -0.53 0.11 0.00 0.87 0.00 0.00 54.58 55.21 3a6p n ASN 156 Cb 0.43 -4.94 0.28 0.00 -1.02 0.00 0.00 39.78 34.53 3a6p n ASN 156 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3a6p h PHE 157 N -2.64 0.70 0.00 3.10 -0.00 -1.68 -3.07 116.94 113.36 3a6p h PHE 157 Ca -0.56 0.04 0.00 0.00 -0.00 0.00 0.00 57.97 57.45 3a6p h PHE 157 Cb 1.36 -0.17 0.00 0.00 -0.00 0.00 0.00 35.95 37.14 3a6p h PHE 157 CO 0.49 0.03 -0.58 0.39 -0.00 0.00 0.00 178.31 178.63 3a6p n GLU 158 N -4.99 3.58 -0.33 1.11 1.02 -1.26 -4.70 120.64 115.07 3a6p n GLU 158 Ca 0.21 -0.02 0.22 0.00 -0.02 0.00 0.00 57.16 57.55 3a6p n GLU 158 Cb 0.59 -0.90 0.45 0.00 -0.02 0.00 0.00 31.44 31.55 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 0.00 0.34 0.00 3.49 1.79 -1.94 -0.12 116.57 120.12 3a6p h LYS 159 Ca 0.00 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.32 3a6p h LYS 159 Cb 0.19 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 3a6p h LYS 159 CO 0.00 0.22 -0.61 -1.00 -1.08 0.00 0.00 179.45 176.98 3a6p h PRO 160 N 0.35 0.00 -0.33 3.15 0.13 -1.84 -2.10 132.00 131.35 3a6p h PRO 160 Ca 0.71 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.66 3a6p h PRO 160 Cb 1.56 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.69 3a6p h PRO 160 CO -0.59 0.61 -0.48 0.74 -0.23 0.00 0.00 178.00 178.05 3a6p h PHE 161 N 0.00 1.12 -0.63 1.56 0.04 -1.43 -2.67 116.94 114.92 3a6p h PHE 161 Ca -0.01 -0.37 -0.05 0.00 2.80 0.00 0.00 57.97 60.34 3a6p h PHE 161 Cb 1.17 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 39.07 3a6p h PHE 161 CO 0.00 1.20 0.20 1.25 -0.60 0.00 0.00 178.31 180.36 3a6p h LEU 162 N 0.72 0.92 -0.53 1.54 5.85 -1.12 -0.95 115.31 121.74 3a6p h LEU 162 Ca 0.04 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.42 3a6p h LEU 162 Cb 1.08 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 3a6p h LEU 162 CO 0.11 0.88 -0.64 -0.25 -0.34 0.00 0.00 178.44 178.21 3a6p h TRP 163 N 0.91 0.00 0.17 1.25 7.01 -1.41 -0.80 115.95 123.08 3a6p h TRP 163 Ca 0.20 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 3a6p h TRP 163 Cb 0.29 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.35 3a6p h TRP 163 CO 0.02 0.64 -0.08 -0.07 -2.79 0.00 0.00 178.44 176.16 3a6p h LEU 164 N 0.00 -0.19 -0.66 0.65 3.38 -1.33 -2.05 115.31 115.10 3a6p h LEU 164 Ca -0.01 -0.34 0.13 0.00 0.09 0.00 0.00 57.88 57.75 3a6p h LEU 164 Cb 1.25 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.95 3a6p h LEU 164 CO 0.08 0.32 0.15 0.00 0.09 0.00 0.00 178.44 179.08 3a6p h ALA 165 N -0.16 0.81 -0.98 1.53 0.00 -1.17 0.20 119.26 119.49 3a6p h ALA 165 Ca -0.02 0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.20 3a6p h ALA 165 Cb 0.52 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 3a6p h ALA 165 CO 0.04 -0.31 0.61 0.00 0.00 0.00 0.00 179.25 179.59 3a6p h ARG 166 N 0.27 0.76 0.06 0.00 -0.00 -1.17 -1.95 114.38 112.34 3a6p h ARG 166 Ca 0.36 -0.05 -0.25 0.00 -0.50 0.00 0.00 59.98 59.54 3a6p h ARG 166 Cb 0.56 -0.17 -0.02 0.00 0.00 0.00 0.00 29.97 30.34 3a6p h ARG 166 CO -0.45 0.50 -1.21 -0.22 0.00 0.00 0.00 179.97 178.60 3a6p h LYS 167 N 0.78 0.12 0.24 0.04 1.63 0.04 -1.82 116.57 117.61 3a6p h LYS 167 Ca 0.53 -0.21 -0.32 0.00 -0.85 0.00 0.00 60.65 59.79 3a6p h LYS 167 Cb 0.80 0.08 0.04 0.00 -0.60 0.00 0.00 32.23 32.54 3a6p h LYS 167 CO -0.30 1.05 -1.41 -0.07 -3.45 0.00 0.00 179.45 175.26 3a6p h LEU 168 N 0.03 0.82 0.00 5.20 3.38 -0.66 -3.17 115.31 120.91 3a6p h LEU 168 Ca -0.10 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 56.95 3a6p h LEU 168 Cb 1.89 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.37 3a6p h LEU 168 CO 0.15 1.68 -0.29 -0.38 0.09 0.00 0.00 178.44 179.70 3a6p n ILE 169 N -3.76 0.33 -1.86 1.22 5.41 -0.75 -4.94 119.36 115.00 3a6p n ILE 169 Ca -0.17 -0.19 -0.10 0.00 1.00 0.00 0.00 62.75 63.29 3a6p n ILE 169 Cb 1.08 -0.29 -0.02 0.00 -0.71 0.00 0.00 39.64 39.69 3a6p n ILE 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3a6p n GLY 170 N 1.38 0.39 2.92 7.39 0.00 -0.73 -4.97 105.19 111.57 3a6p n GLY 170 Ca 0.05 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.67 4.28 0.63 1.61 2.15 -0.96 -4.96 116.67 116.74 3a6p s ASP 171 Ca 0.00 -2.75 0.40 0.00 0.43 0.00 0.00 52.55 50.62 3a6p s ASP 171 Cb 0.00 -1.52 2.11 0.00 -0.30 0.00 0.00 42.92 43.21 3a6p s ASP 171 CO 0.00 -0.27 2.28 -0.65 -0.17 0.00 0.00 175.17 176.36 3a6p h PRO 172 N 6.79 0.00 -0.72 4.34 0.11 -1.94 0.11 132.00 140.69 3a6p h PRO 172 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3a6p h PRO 172 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3a6p h PRO 172 CO 0.62 0.01 0.00 0.09 -0.21 0.00 0.00 178.00 178.51 3a6p n ASN 173 N -3.24 3.61 -4.68 -2.05 4.13 -1.26 -4.92 115.26 106.85 3a6p n ASN 173 Ca -0.02 -2.48 -0.42 0.00 1.68 0.00 0.00 54.58 53.33 3a6p n ASN 173 Cb 0.12 -0.58 -0.03 0.00 -1.54 0.00 0.00 39.78 37.76 3a6p n ASN 173 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3a6p s LEU 174 N -1.54 4.27 -0.07 3.41 2.96 0.40 -5.01 118.68 123.10 3a6p s LEU 174 Ca 0.31 1.90 0.04 0.00 -0.22 0.00 0.00 54.13 56.16 3a6p s LEU 174 Cb 0.23 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.35 3a6p s LEU 174 CO 0.10 -0.68 -0.18 -1.61 -1.32 0.00 0.00 176.35 172.67 3a6p s GLU 175 N 2.61 2.71 0.00 1.98 0.41 -1.26 -4.89 118.70 120.26 3a6p s GLU 175 Ca 0.59 -0.77 0.29 0.00 -0.41 0.00 0.00 54.97 54.67 3a6p s GLU 175 Cb -0.27 -2.35 1.25 0.00 -1.78 0.00 0.00 34.13 30.98 3a6p s GLU 175 CO 0.22 0.44 1.86 1.19 -0.49 0.00 0.00 175.26 178.49