#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1p s LEU 3 N 0.00 4.38 0.00 6.15 1.43 -1.26 -1.29 118.68 128.09 3a1p s LEU 3 Ca 0.00 0.49 0.06 0.00 -1.03 0.00 0.00 54.13 53.66 3a1p s LEU 3 Cb 0.00 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3a1p s LEU 3 CO 0.00 0.39 -0.20 0.68 0.23 0.00 0.00 176.35 177.45 3a1p s VAL 4 N -0.94 1.59 -0.14 -1.59 -7.23 -0.39 -4.93 120.40 106.78 3a1p s VAL 4 Ca 0.15 -0.95 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 3a1p s VAL 4 Cb -0.12 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 35.46 3a1p s VAL 4 CO 0.04 0.37 1.32 -0.70 -0.31 0.00 0.00 175.10 175.82 3a1p s GLU 5 N -0.68 4.23 -0.02 4.82 2.12 -1.26 -0.82 118.70 127.09 3a1p s GLU 5 Ca 0.08 1.74 0.13 0.00 0.36 0.00 0.00 54.97 57.27 3a1p s GLU 5 Cb -0.08 -3.78 -0.19 0.00 0.26 0.00 0.00 34.13 30.33 3a1p s GLU 5 CO -0.00 -0.71 0.28 0.44 -0.54 0.00 0.00 175.26 174.73 3a1p n ILE 6 N 5.35 0.00 -3.23 -3.70 -5.35 0.25 -4.95 119.36 107.72 3a1p n ILE 6 Ca 0.14 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 3a1p n ILE 6 Cb 0.45 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 3a1p n ILE 6 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a1p n GLY 7 N 1.78 0.89 3.41 3.28 0.00 -1.07 -1.01 105.19 112.48 3a1p n GLY 7 Ca -0.02 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 3a1p n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3a1p s ARG 8 N -0.17 0.57 0.19 1.61 3.52 0.18 -0.29 118.95 124.56 3a1p s ARG 8 Ca 0.00 0.82 -0.30 0.00 -0.13 0.00 0.00 55.73 56.12 3a1p s ARG 8 Cb 0.00 0.19 -0.08 0.00 -1.56 0.00 0.00 34.95 33.50 3a1p s ARG 8 CO 0.00 -0.11 1.15 -0.06 -0.81 0.00 0.00 175.30 175.48 3a1p s PHE 9 N 0.78 3.49 0.00 5.12 0.08 -0.73 -0.92 117.98 125.80 3a1p s PHE 9 Ca -0.04 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.52 3a1p s PHE 9 Cb -0.05 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 39.03 3a1p s PHE 9 CO -0.06 -0.94 0.00 0.41 -0.10 0.00 0.00 175.22 174.53 3a1p n GLY 10 N 2.04 1.57 3.72 4.36 0.00 0.59 -0.61 105.19 116.85 3a1p n GLY 10 Ca 0.03 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 3a1p n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1p s ALA 11 N -2.30 1.99 0.58 4.61 0.00 -1.26 -4.39 121.76 120.99 3a1p s ALA 11 Ca 0.00 0.71 -0.19 0.00 0.00 0.00 0.00 51.96 52.48 3a1p s ALA 11 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3a1p s ALA 11 CO 0.00 -2.05 1.18 -1.25 0.00 0.00 0.00 175.76 173.64 3a1p s PRO 12 N -4.23 3.06 -0.16 0.00 0.04 -1.26 -2.07 135.00 130.38 3a1p s PRO 12 Ca 0.70 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 63.46 3a1p s PRO 12 Cb -0.25 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 3a1p s PRO 12 CO 0.49 -1.11 -0.11 -0.47 0.04 0.00 0.00 177.00 175.85 3a1p s TYR 13 N -1.71 2.86 0.00 0.56 5.04 0.11 -4.79 117.35 119.42 3a1p s TYR 13 Ca 0.75 -0.83 0.00 0.00 -2.44 0.00 0.00 57.07 54.55 3a1p s TYR 13 Cb -0.28 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.10 3a1p s TYR 13 CO 0.32 -0.37 0.00 0.00 -1.34 0.00 0.00 175.55 174.16 3a1p n ALA 14 N 4.02 0.00 -1.21 3.97 0.00 -1.26 -3.58 120.51 122.44 3a1p n ALA 14 Ca -0.18 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.34 3a1p n ALA 14 Cb 0.52 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.13 3a1p n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a1p n LEU 15 N 0.00 2.56 -0.41 0.00 4.77 -1.26 -4.61 117.00 118.05 3a1p n LEU 15 Ca 0.00 -3.32 0.04 0.00 -0.03 0.00 0.00 56.01 52.70 3a1p n LEU 15 Cb 0.00 -0.47 0.08 0.00 -2.33 0.00 0.00 43.42 40.71 3a1p n LEU 15 CO 0.00 0.90 0.52 0.29 -1.33 0.00 0.00 177.39 177.78 3a1p n LYS 16 N -1.30 2.01 0.00 3.23 4.76 -1.26 -3.76 118.16 121.83 3a1p n LYS 16 Ca 0.17 -1.60 0.00 0.00 -2.87 0.00 0.00 58.31 54.02 3a1p n LYS 16 Cb 0.68 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.69 3a1p n LYS 16 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a1p n GLY 17 N 0.30 0.58 3.77 0.72 0.00 -1.24 -3.20 105.19 106.12 3a1p n GLY 17 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3a1p n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a1p s GLY 18 N -1.10 2.93 -0.09 -0.02 0.00 -1.24 -4.68 107.32 103.12 3a1p s GLY 18 Ca 0.00 1.31 0.02 0.00 0.00 0.00 0.00 44.72 46.05 3a1p s GLY 18 CO 0.00 1.91 -0.12 1.08 0.00 0.00 0.00 173.10 175.97 3a1p s LEU 19 N -2.45 1.58 0.28 0.66 1.43 0.12 0.09 118.68 120.39 3a1p s LEU 19 Ca 0.57 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 3a1p s LEU 19 Cb -0.40 -0.91 -0.12 0.00 0.03 0.00 0.00 46.19 44.80 3a1p s LEU 19 CO 0.52 -0.00 1.62 -0.13 0.23 0.00 0.00 176.35 178.59 3a1p s ARG 20 N 0.95 4.11 -0.21 1.70 0.52 -0.88 -0.63 118.95 124.52 3a1p s ARG 20 Ca -0.09 2.60 -0.04 0.00 -0.52 0.00 0.00 55.73 57.69 3a1p s ARG 20 Cb -0.15 -3.02 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 3a1p s ARG 20 CO -0.00 -0.67 -0.03 0.12 0.02 0.00 0.00 175.30 174.74 3a1p s PHE 21 N 0.18 2.98 -0.28 -0.53 5.36 0.59 -0.30 117.98 125.98 3a1p s PHE 21 Ca 0.65 -0.72 -0.07 0.00 -0.96 0.00 0.00 56.93 55.83 3a1p s PHE 21 Cb -0.49 -2.09 -0.01 0.00 -0.34 0.00 0.00 43.02 40.10 3a1p s PHE 21 CO 0.46 -0.41 0.08 1.03 -1.46 0.00 0.00 175.22 174.92 3a1p s ARG 22 N 1.24 3.35 0.00 10.12 0.52 -0.09 -4.33 118.95 129.75 3a1p s ARG 22 Ca 0.03 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 3a1p s ARG 22 Cb -0.14 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 31.97 3a1p s ARG 22 CO -0.00 -0.33 0.00 0.41 0.02 0.00 0.00 175.30 175.39 3a1p n GLY 23 N 4.90 -0.57 3.76 -3.53 0.00 -1.26 0.52 105.19 109.00 3a1p n GLY 23 Ca -0.15 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 3a1p n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a1p s GLU 24 N -1.84 4.60 0.00 1.61 0.41 -0.18 -4.92 118.70 118.39 3a1p s GLU 24 Ca 0.00 1.59 0.04 0.00 -0.41 0.00 0.00 54.97 56.19 3a1p s GLU 24 Cb 0.00 -3.03 0.24 0.00 -1.78 0.00 0.00 34.13 29.55 3a1p s GLU 24 CO 0.00 0.24 0.66 -0.35 -0.49 0.00 0.00 175.26 175.32 3a1p n PRO 25 N 0.94 0.42 0.14 0.39 -0.04 -1.26 -2.83 135.00 132.76 3a1p n PRO 25 Ca 0.00 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 3a1p n PRO 25 Cb 0.47 -1.15 0.52 0.00 -0.04 0.00 0.00 33.50 33.30 3a1p n PRO 25 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3a1p n VAL 26 N -0.65 0.89 0.30 0.52 3.14 -1.26 -1.93 118.33 119.35 3a1p n VAL 26 Ca 0.03 0.38 0.18 0.00 -2.96 0.00 0.00 64.34 61.97 3a1p n VAL 26 Cb 0.01 -1.34 0.79 0.00 -1.06 0.00 0.00 33.84 32.24 3a1p n VAL 26 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 3a1p h VAL 27 N 0.00 0.00 0.00 1.55 3.04 -1.90 -2.73 116.25 116.21 3a1p h VAL 27 Ca 0.00 -0.32 -0.01 0.00 -1.01 0.00 0.00 66.70 65.36 3a1p h VAL 27 Cb 0.26 1.26 -0.00 0.00 -2.01 0.00 0.00 31.29 30.79 3a1p h VAL 27 CO 0.00 0.00 -0.04 -0.07 -1.01 0.00 0.00 177.57 176.45 3a1p h LEU 28 N 0.00 0.00 -3.37 3.16 3.38 -1.69 -2.78 115.31 114.02 3a1p h LEU 28 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3a1p h LEU 28 Cb 0.34 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 3a1p h LEU 28 CO 0.00 0.04 0.03 1.41 0.09 0.00 0.00 178.44 180.01 3a1p n HIS 29 N -3.24 1.25 -4.26 1.13 8.25 -1.03 -5.00 115.22 112.33 3a1p n HIS 29 Ca -0.01 -1.15 -0.25 0.00 -0.26 0.00 0.00 57.72 56.04 3a1p n HIS 29 Cb 0.21 -0.43 -0.08 0.00 1.12 0.00 0.00 29.99 30.81 3a1p n HIS 29 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3a1p s LEU 30 N -2.98 3.17 -0.01 2.41 1.43 -1.05 -4.84 118.68 116.81 3a1p s LEU 30 Ca 0.45 -0.53 0.14 0.00 -1.03 0.00 0.00 54.13 53.16 3a1p s LEU 30 Cb 0.38 -1.80 -0.19 0.00 0.03 0.00 0.00 46.19 44.61 3a1p s LEU 30 CO 0.07 0.07 0.41 -0.62 0.23 0.00 0.00 176.35 176.50 3a1p n GLU 31 N -0.31 1.25 -3.53 1.70 1.02 -1.26 -4.88 120.64 114.62 3a1p n GLU 31 Ca -0.09 -0.08 -0.13 0.00 -0.02 0.00 0.00 57.16 56.84 3a1p n GLU 31 Cb 0.56 -1.25 -0.04 0.00 -0.02 0.00 0.00 31.44 30.69 3a1p n GLU 31 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3a1p s ARG 32 N -2.69 1.11 0.05 3.49 1.70 -1.26 -0.27 118.95 121.08 3a1p s ARG 32 Ca -0.01 -0.30 0.01 0.00 -0.47 0.00 0.00 55.73 54.95 3a1p s ARG 32 Cb 0.09 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.95 3a1p s ARG 32 CO 0.57 -0.42 -0.05 0.14 -1.08 0.00 0.00 175.30 174.45 3a1p s VAL 33 N -2.83 0.41 -0.24 4.99 -7.23 -0.48 -4.86 120.40 110.16 3a1p s VAL 33 Ca -0.03 -1.46 -0.10 0.00 -1.81 0.00 0.00 61.98 58.58 3a1p s VAL 33 Cb -0.00 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 3a1p s VAL 33 CO -0.05 -0.70 0.14 -0.47 -0.31 0.00 0.00 175.10 173.71 3a1p s TYR 34 N -2.66 3.24 -0.18 2.82 5.04 0.54 -0.49 117.35 125.65 3a1p s TYR 34 Ca -0.01 0.06 -0.09 0.00 -2.44 0.00 0.00 57.07 54.58 3a1p s TYR 34 Cb -0.01 -2.26 -0.05 0.00 0.35 0.00 0.00 41.96 39.99 3a1p s TYR 34 CO -0.04 -0.06 0.13 0.08 -1.34 0.00 0.00 175.55 174.32 3a1p s VAL 35 N 1.24 5.38 0.13 3.14 1.01 -0.53 -0.43 120.40 130.34 3a1p s VAL 35 Ca 0.06 0.18 -0.33 0.00 0.00 0.00 0.00 61.98 61.89 3a1p s VAL 35 Cb -0.14 -3.43 -0.12 0.00 0.00 0.00 0.00 36.38 32.68 3a1p s VAL 35 CO 0.05 0.48 1.73 1.21 0.00 0.00 0.00 175.10 178.57 3a1p n GLU 36 N 3.23 2.48 -0.78 2.72 2.13 -0.75 -0.93 120.64 128.73 3a1p n GLU 36 Ca -0.17 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.55 3a1p n GLU 36 Cb 0.53 -2.73 0.00 0.00 0.27 0.00 0.00 31.44 29.50 3a1p n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a1p n GLY 37 N 3.91 1.39 0.00 8.31 0.00 -1.26 -4.75 105.19 112.78 3a1p n GLY 37 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3a1p n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a1p n HIS 38 N -2.00 0.00 -2.80 1.61 8.25 -0.10 -5.16 115.22 115.02 3a1p n HIS 38 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3a1p n HIS 38 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3a1p n HIS 38 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a1p n GLY 39 N 1.90 -2.07 3.77 -1.41 0.00 -0.21 -4.87 105.19 102.30 3a1p n GLY 39 Ca 0.00 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 3a1p n GLY 39 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a1p s TRP 40 N -0.08 2.62 -0.03 1.61 0.52 -1.26 -1.45 118.94 120.86 3a1p s TRP 40 Ca 0.00 1.23 -0.02 0.00 0.02 0.00 0.00 56.10 57.32 3a1p s TRP 40 Cb 0.00 -3.95 0.01 0.00 -1.15 0.00 0.00 33.47 28.39 3a1p s TRP 40 CO 0.00 -2.81 0.08 1.03 0.02 0.00 0.00 176.95 175.27 3a1p s ARG 41 N -2.15 0.08 0.34 4.98 1.81 0.35 -4.92 118.95 119.45 3a1p s ARG 41 Ca 0.54 0.15 -0.25 0.00 -1.72 0.00 0.00 55.73 54.45 3a1p s ARG 41 Cb -0.45 -0.01 -0.10 0.00 -0.45 0.00 0.00 34.95 33.94 3a1p s ARG 41 CO 0.60 -0.05 0.95 0.00 -0.68 0.00 0.00 175.30 176.12 3a1p s ALA 42 N 0.28 3.18 -0.59 2.13 0.00 -1.26 -1.38 121.76 124.12 3a1p s ALA 42 Ca -0.02 0.51 -0.21 0.00 0.00 0.00 0.00 51.96 52.23 3a1p s ALA 42 Cb -0.03 -3.18 0.07 0.00 0.00 0.00 0.00 23.12 19.98 3a1p s ALA 42 CO -0.01 0.16 0.83 0.42 0.00 0.00 0.00 175.76 177.17 3a1p s ILE 43 N -1.71 4.55 0.12 0.00 1.01 0.63 -1.18 121.20 124.62 3a1p s ILE 43 Ca 0.52 -0.36 -0.13 0.00 0.00 0.00 0.00 60.65 60.69 3a1p s ILE 43 Cb -0.17 -4.53 -0.06 0.00 0.01 0.00 0.00 42.46 37.72 3a1p s ILE 43 CO 0.22 -1.17 1.46 -0.33 0.00 0.00 0.00 174.94 175.13 3a1p h GLU 44 N 9.31 0.81 -3.09 2.79 5.08 -1.39 -3.47 114.58 124.62 3a1p h GLU 44 Ca -0.28 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 57.63 3a1p h GLU 44 Cb 1.08 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.19 3a1p h GLU 44 CO 1.10 1.03 0.04 0.34 -1.00 0.00 0.00 179.01 180.52 3a1p s ASP 45 N -6.62 -0.40 -0.23 1.42 2.15 -1.03 -5.00 116.67 106.97 3a1p s ASP 45 Ca -0.12 -0.07 -0.19 0.00 0.43 0.00 0.00 52.55 52.60 3a1p s ASP 45 Cb 0.10 0.52 0.06 0.00 -0.30 0.00 0.00 42.92 43.30 3a1p s ASP 45 CO 0.85 -0.85 0.59 -0.22 -0.17 0.00 0.00 175.17 175.37 3a1p s LEU 46 N -2.54 -0.38 0.31 -1.34 0.20 -1.26 -0.74 118.68 112.93 3a1p s LEU 46 Ca -0.00 1.22 -0.15 0.00 0.69 0.00 0.00 54.13 55.89 3a1p s LEU 46 Cb 0.00 2.03 0.02 0.00 -0.43 0.00 0.00 46.19 47.82 3a1p s LEU 46 CO -0.09 -0.21 0.65 -0.72 -0.29 0.00 0.00 176.35 175.68 3a1p s TYR 47 N 0.66 0.21 -0.04 5.38 -0.85 -0.88 -4.99 117.35 116.84 3a1p s TYR 47 Ca -0.03 -0.68 -0.01 0.00 -0.52 0.00 0.00 57.07 55.84 3a1p s TYR 47 Cb -0.05 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.77 3a1p s TYR 47 CO -0.04 -1.27 0.03 0.50 -1.52 0.00 0.00 175.55 173.26 3a1p s ARG 48 N -3.35 2.97 -0.24 -3.49 3.52 -1.26 -0.39 118.95 116.70 3a1p s ARG 48 Ca 0.18 -0.48 -0.04 0.00 -0.13 0.00 0.00 55.73 55.26 3a1p s ARG 48 Cb -0.04 -2.80 0.08 0.00 -1.56 0.00 0.00 34.95 30.64 3a1p s ARG 48 CO 0.11 0.67 0.10 0.08 -0.81 0.00 0.00 175.30 175.45 3a1p s VAL 49 N -1.05 0.09 0.00 7.11 1.01 0.25 -4.96 120.40 122.86 3a1p s VAL 49 Ca 0.18 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3a1p s VAL 49 Cb -0.12 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3a1p s VAL 49 CO 0.08 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.27 3a1p n GLY 50 N 5.19 1.84 0.44 4.51 0.00 -1.26 -1.86 105.19 114.05 3a1p n GLY 50 Ca -0.06 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 45.95 3a1p n GLY 50 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3a1p n GLU 51 N 2.52 0.68 -4.08 1.61 0.28 -1.26 -5.02 120.64 115.36 3a1p n GLU 51 Ca 0.00 -1.21 -0.22 0.00 -0.16 0.00 0.00 57.16 55.57 3a1p n GLU 51 Cb 0.00 -1.21 -0.05 0.00 1.43 0.00 0.00 31.44 31.61 3a1p n GLU 51 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3a1p s GLU 52 N -0.90 2.56 -0.06 3.44 2.02 -0.78 -5.13 118.70 119.85 3a1p s GLU 52 Ca 0.13 -1.35 0.03 0.00 0.02 0.00 0.00 54.97 53.80 3a1p s GLU 52 Cb 0.09 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 3a1p s GLU 52 CO 0.13 0.23 -0.13 -0.51 0.02 0.00 0.00 175.26 175.00 3a1p s LEU 53 N -3.84 2.79 -0.10 1.80 1.43 -1.26 -0.58 118.68 118.92 3a1p s LEU 53 Ca 0.36 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 3a1p s LEU 53 Cb -0.05 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 3a1p s LEU 53 CO 0.23 0.33 -0.14 -0.69 0.23 0.00 0.00 176.35 176.31 3a1p s VAL 54 N -0.64 3.00 -0.05 -1.59 1.01 0.47 -0.30 120.40 122.30 3a1p s VAL 54 Ca 0.09 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.41 3a1p s VAL 54 Cb -0.11 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 3a1p s VAL 54 CO 0.01 0.55 -0.15 -0.69 0.00 0.00 0.00 175.10 174.82 3a1p s VAL 55 N -0.07 2.98 -0.24 2.92 1.01 0.20 -2.07 120.40 125.13 3a1p s VAL 55 Ca -0.03 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 3a1p s VAL 55 Cb -0.14 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.11 3a1p s VAL 55 CO 0.04 0.59 -0.10 -1.00 0.00 0.00 0.00 175.10 174.63 3a1p s HIS 56 N -0.68 3.05 0.16 5.22 3.76 0.08 -0.70 115.29 126.18 3a1p s HIS 56 Ca 0.10 -1.73 0.03 0.00 -0.15 0.00 0.00 55.06 53.32 3a1p s HIS 56 Cb -0.11 -2.01 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 3a1p s HIS 56 CO 0.01 -0.77 0.26 -0.51 -0.85 0.00 0.00 174.74 172.87 3a1p s LEU 57 N 1.27 4.21 0.36 0.89 1.43 -1.26 -1.05 118.68 124.53 3a1p s LEU 57 Ca -0.01 0.08 -0.28 0.00 -1.03 0.00 0.00 54.13 52.90 3a1p s LEU 57 Cb -0.17 -2.78 -0.10 0.00 0.03 0.00 0.00 46.19 43.17 3a1p s LEU 57 CO -0.06 0.04 1.40 0.00 0.23 0.00 0.00 176.35 177.96 3a1p s ALA 58 N -1.78 3.51 0.00 4.21 0.00 -0.32 -2.37 121.76 125.01 3a1p s ALA 58 Ca 0.34 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.72 3a1p s ALA 58 Cb -0.11 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3a1p s ALA 58 CO 0.27 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.57 3a1p n GLY 59 N 0.61 2.69 3.46 0.00 0.00 -1.26 -4.79 105.19 105.91 3a1p n GLY 59 Ca 0.01 -0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 3a1p n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1p s VAL 60 N -1.53 4.79 -1.70 1.61 1.01 -1.00 -4.82 120.40 118.75 3a1p s VAL 60 Ca 0.00 -1.90 0.15 0.00 0.00 0.00 0.00 61.98 60.23 3a1p s VAL 60 Cb 0.00 -4.84 0.23 0.00 0.00 0.00 0.00 36.38 31.77 3a1p s VAL 60 CO 0.00 -1.57 1.13 0.35 0.00 0.00 0.00 175.10 175.00 3a1p n THR 61 N 5.28 0.37 -3.77 3.92 -2.24 -1.26 -4.25 114.28 112.32 3a1p n THR 61 Ca 0.29 -0.68 -0.10 0.00 -2.27 0.00 0.00 64.05 61.29 3a1p n THR 61 Cb 0.47 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.67 3a1p n THR 61 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3a1p s ASP 62 N -1.19 -0.10 0.31 3.42 1.47 -1.19 -4.06 116.67 115.33 3a1p s ASP 62 Ca 0.23 -0.54 0.06 0.00 1.18 0.00 0.00 52.55 53.48 3a1p s ASP 62 Cb 0.14 0.46 0.75 0.00 -0.34 0.00 0.00 42.92 43.93 3a1p s ASP 62 CO 0.20 -0.87 1.79 -0.09 0.68 0.00 0.00 175.17 176.88 3a1p h ARG 63 N 2.46 0.73 0.11 2.11 2.43 -1.82 -2.08 114.38 118.32 3a1p h ARG 63 Ca -0.32 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3a1p h ARG 63 Cb 1.24 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3a1p h ARG 63 CO 0.47 0.49 -0.10 1.15 -1.51 0.00 0.00 179.97 180.47 3a1p h THR 64 N 0.76 0.79 0.00 0.20 2.02 -1.96 0.76 112.91 115.47 3a1p h THR 64 Ca 0.57 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.73 3a1p h THR 64 Cb 0.90 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3a1p h THR 64 CO -0.36 0.00 -0.09 -0.07 0.37 0.00 0.00 175.52 175.37 3a1p h LEU 65 N -0.22 0.00 -0.01 2.58 3.38 -1.83 -2.55 115.31 116.67 3a1p h LEU 65 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3a1p h LEU 65 Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3a1p h LEU 65 CO -0.02 0.09 -0.68 0.00 0.09 0.00 0.00 178.44 177.91 3a1p h ALA 66 N 1.91 0.10 -0.81 1.53 0.00 -0.64 -3.27 119.26 118.08 3a1p h ALA 66 Ca -0.00 -0.59 0.09 0.00 0.00 0.00 0.00 54.91 54.41 3a1p h ALA 66 Cb 0.24 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3a1p h ALA 66 CO 0.01 0.42 0.53 0.93 0.00 0.00 0.00 179.25 181.14 3a1p h GLU 67 N 0.02 0.75 -0.13 0.00 4.39 -0.46 -1.00 114.58 118.14 3a1p h GLU 67 Ca -0.08 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.61 3a1p h GLU 67 Cb 1.38 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 3a1p h GLU 67 CO 0.14 0.50 0.17 0.00 -1.16 0.00 0.00 179.01 178.65 3a1p h ALA 68 N 1.59 1.66 -0.01 3.43 0.00 -1.58 -2.03 119.26 122.32 3a1p h ALA 68 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3a1p h ALA 68 Cb 0.41 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3a1p h ALA 68 CO -0.14 -0.23 -0.74 1.28 0.00 0.00 0.00 179.25 179.41 3a1p n LEU 69 N -3.67 1.51 -4.68 0.00 4.77 -0.39 -4.95 117.00 109.58 3a1p n LEU 69 Ca 0.00 -0.62 -0.44 0.00 -0.03 0.00 0.00 56.01 54.92 3a1p n LEU 69 Cb 0.28 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3a1p n LEU 69 CO 0.26 0.31 1.07 0.52 -1.33 0.00 0.00 177.39 178.22 3a1p n VAL 70 N -0.77 0.89 -0.16 4.08 0.31 -0.77 -1.82 118.33 120.09 3a1p n VAL 70 Ca 0.07 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3a1p n VAL 70 Cb 0.40 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 3a1p n VAL 70 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a1p n GLY 71 N 2.26 2.12 3.76 2.92 0.00 0.22 -5.00 105.19 111.49 3a1p n GLY 71 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3a1p n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1p s LEU 72 N 0.00 4.60 0.53 0.99 1.43 -0.75 -4.76 118.68 120.71 3a1p s LEU 72 Ca 0.00 1.72 -0.19 0.00 -1.03 0.00 0.00 54.13 54.63 3a1p s LEU 72 Cb 0.00 -3.39 -0.06 0.00 0.03 0.00 0.00 46.19 42.77 3a1p s LEU 72 CO 0.00 0.17 1.07 -0.13 0.23 0.00 0.00 176.35 177.69 3a1p s ARG 73 N -1.02 3.53 -0.10 1.70 0.52 -1.26 -1.78 118.95 120.54 3a1p s ARG 73 Ca 0.38 1.42 0.03 0.00 -0.52 0.00 0.00 55.73 57.04 3a1p s ARG 73 Cb -0.24 -2.05 -0.01 0.00 0.52 0.00 0.00 34.95 33.17 3a1p s ARG 73 CO 0.28 -0.66 -0.18 0.08 0.02 0.00 0.00 175.30 174.83 3a1p s VAL 74 N -2.00 2.60 0.16 3.52 1.01 0.60 -1.81 120.40 124.49 3a1p s VAL 74 Ca 0.69 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.92 3a1p s VAL 74 Cb -0.19 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3a1p s VAL 74 CO 0.26 0.55 -0.21 -0.31 0.00 0.00 0.00 175.10 175.39 3a1p s TYR 75 N 0.08 2.02 0.06 5.22 2.02 0.43 -0.58 117.35 126.60 3a1p s TYR 75 Ca -0.08 -0.42 0.06 0.00 -0.37 0.00 0.00 57.07 56.26 3a1p s TYR 75 Cb -0.15 -1.02 -0.03 0.00 -0.40 0.00 0.00 41.96 40.36 3a1p s TYR 75 CO 0.05 0.37 -0.16 0.00 -1.57 0.00 0.00 175.55 174.25 3a1p s ALA 76 N -1.72 1.32 0.02 3.71 0.00 -0.00 -0.34 121.76 124.74 3a1p s ALA 76 Ca 0.16 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 3a1p s ALA 76 Cb -0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 3a1p s ALA 76 CO 0.07 0.25 1.28 -2.00 0.00 0.00 0.00 175.76 175.36 3a1p s GLU 77 N -1.39 4.35 0.30 0.00 2.56 -1.26 -1.26 118.70 122.00 3a1p s GLU 77 Ca 0.02 1.84 0.04 0.00 0.00 0.00 0.00 54.97 56.87 3a1p s GLU 77 Cb -0.09 -3.45 0.76 0.00 2.00 0.00 0.00 34.13 33.35 3a1p s GLU 77 CO 0.02 -0.42 1.65 -0.24 -0.56 0.00 0.00 175.26 175.71 3a1p h VAL 78 N 4.72 0.33 0.00 3.70 3.04 -1.56 0.38 116.25 126.85 3a1p h VAL 78 Ca -0.39 -0.08 -0.00 0.00 -1.01 0.00 0.00 66.70 65.22 3a1p h VAL 78 Cb 1.19 0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 30.53 3a1p h VAL 78 CO 0.86 0.04 -0.01 0.00 -1.01 0.00 0.00 177.57 177.46 3a1p h ALA 79 N 1.78 1.04 0.00 3.17 0.00 -1.91 -2.23 119.26 121.12 3a1p h ALA 79 Ca 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3a1p h ALA 79 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3a1p h ALA 79 CO -0.64 0.01 -0.56 -0.44 0.00 0.00 0.00 179.25 177.63 3a1p h ASP 80 N 0.00 0.00 -3.88 0.00 3.32 -0.62 -3.46 116.42 111.78 3a1p h ASP 80 Ca -0.00 -0.12 -0.53 0.00 0.02 0.00 0.00 57.03 56.40 3a1p h ASP 80 Cb 0.17 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.80 3a1p h ASP 80 CO 0.00 0.06 0.71 -0.76 -1.72 0.00 0.00 179.24 177.53 3a1p s LEU 81 N -4.73 4.38 0.27 1.55 1.43 -0.84 -4.88 118.68 115.86 3a1p s LEU 81 Ca 0.05 2.85 -0.30 0.00 -1.03 0.00 0.00 54.13 55.71 3a1p s LEU 81 Cb 0.11 -3.66 -0.10 0.00 0.03 0.00 0.00 46.19 42.57 3a1p s LEU 81 CO 0.71 -0.70 1.47 -2.16 0.23 0.00 0.00 176.35 175.91 3a1p s PRO 82 N -1.85 4.23 0.55 1.29 0.04 -1.26 -4.94 135.00 133.05 3a1p s PRO 82 Ca 0.51 2.38 -0.21 0.00 0.04 0.00 0.00 61.00 63.72 3a1p s PRO 82 Cb -0.43 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 3a1p s PRO 82 CO 0.57 -0.47 1.30 -1.25 0.04 0.00 0.00 177.00 177.20 3a1p s PRO 83 N -0.59 3.17 0.09 0.56 0.04 -1.26 -5.02 135.00 131.98 3a1p s PRO 83 Ca 0.59 2.10 0.01 0.00 0.04 0.00 0.00 61.00 63.74 3a1p s PRO 83 Cb -0.44 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 3a1p s PRO 83 CO 0.46 -1.12 0.22 -0.51 0.04 0.00 0.00 177.00 176.09 3a1p s LEU 84 N -3.58 4.32 0.65 -3.56 1.43 -1.26 -5.09 118.68 111.59 3a1p s LEU 84 Ca 0.72 0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 53.88 3a1p s LEU 84 Cb -0.37 -2.92 -0.00 0.00 0.03 0.00 0.00 46.19 42.92 3a1p s LEU 84 CO 0.43 0.14 1.16 -1.83 0.23 0.00 0.00 176.35 176.48 3a1p s GLU 85 N -2.70 2.73 0.18 1.70 -1.05 -1.26 -4.87 118.70 113.43 3a1p s GLU 85 Ca 0.35 1.60 -0.32 0.00 -0.15 0.00 0.00 54.97 56.45 3a1p s GLU 85 Cb -0.12 -1.92 -0.16 0.00 -0.44 0.00 0.00 34.13 31.49 3a1p s GLU 85 CO 0.28 -1.34 1.14 -1.91 0.95 0.00 0.00 175.26 174.37 3a1p n GLU 86 N -2.18 1.15 -0.05 -4.83 4.07 -1.26 -1.86 120.64 115.68 3a1p n GLU 86 Ca 0.12 0.41 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 3a1p n GLU 86 Cb 0.51 -1.89 0.00 0.00 -0.06 0.00 0.00 31.44 30.00 3a1p n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3a1p n GLY 87 N 1.94 0.45 3.38 8.31 0.00 -1.26 -5.07 105.19 112.94 3a1p n GLY 87 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3a1p n GLY 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1p s ARG 88 N -0.88 1.75 0.01 1.61 0.52 -0.78 -5.14 118.95 116.05 3a1p s ARG 88 Ca 0.00 -1.15 -0.01 0.00 -0.52 0.00 0.00 55.73 54.05 3a1p s ARG 88 Cb 0.00 -2.00 -0.01 0.00 0.52 0.00 0.00 34.95 33.45 3a1p s ARG 88 CO 0.00 0.50 0.01 0.71 0.02 0.00 0.00 175.30 176.54 3a1p s TYR 89 N -0.90 0.17 0.25 -0.53 2.02 -1.26 -4.78 117.35 112.33 3a1p s TYR 89 Ca 0.13 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.17 3a1p s TYR 89 Cb -0.10 -0.13 -0.09 0.00 -0.40 0.00 0.00 41.96 41.24 3a1p s TYR 89 CO 0.04 -0.18 1.06 0.71 -1.57 0.00 0.00 175.55 175.61 3a1p s TYR 90 N -1.20 3.68 0.28 2.71 2.02 -1.26 -4.93 117.35 118.65 3a1p s TYR 90 Ca -0.13 1.74 0.02 0.00 -0.37 0.00 0.00 57.07 58.33 3a1p s TYR 90 Cb -0.08 -3.21 0.62 0.00 -0.40 0.00 0.00 41.96 38.89 3a1p s TYR 90 CO -0.00 -0.30 1.76 1.88 -1.57 0.00 0.00 175.55 177.31 3a1p h TYR 91 N 4.10 0.84 0.00 2.71 0.99 -2.00 -0.00 116.97 123.60 3a1p h TYR 91 Ca -0.46 0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.28 3a1p h TYR 91 Cb 1.21 -0.24 -0.00 0.00 1.00 0.00 0.00 36.73 38.70 3a1p h TYR 91 CO 0.60 0.17 -0.12 0.27 -0.00 0.00 0.00 178.16 179.07 3a1p h PHE 92 N 0.63 0.00 0.00 4.88 -5.15 -1.91 -0.57 116.94 114.82 3a1p h PHE 92 Ca 0.51 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 58.23 3a1p h PHE 92 Cb 0.78 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.95 3a1p h PHE 92 CO -0.07 0.12 -0.24 0.00 -2.00 0.00 0.00 178.31 176.11 3a1p h ALA 93 N 1.88 0.90 0.04 12.09 0.00 -1.37 -3.31 119.26 129.49 3a1p h ALA 93 Ca -0.00 -0.22 -0.38 0.00 0.00 0.00 0.00 54.91 54.31 3a1p h ALA 93 Cb 0.32 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3a1p h ALA 93 CO 0.02 0.30 -2.28 1.28 0.00 0.00 0.00 179.25 178.57 3a1p n LEU 94 N -3.24 2.61 -4.73 0.00 4.77 -0.76 -4.76 117.00 110.89 3a1p n LEU 94 Ca 0.02 0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 3a1p n LEU 94 Cb 0.54 -0.86 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 3a1p n LEU 94 CO 0.35 0.86 1.26 -0.63 -1.33 0.00 0.00 177.39 177.91 3a1p s ILE 95 N -2.53 2.31 0.00 -0.08 1.01 -0.29 -1.66 121.20 119.94 3a1p s ILE 95 Ca -0.28 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.60 3a1p s ILE 95 Cb 0.08 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.40 3a1p s ILE 95 CO 0.68 0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.26 3a1p n GLY 96 N 3.24 2.85 3.78 6.18 0.00 0.38 -4.90 105.19 116.73 3a1p n GLY 96 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3a1p n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1p s LEU 97 N 0.00 4.00 0.42 0.99 1.43 -0.67 -4.68 118.68 120.18 3a1p s LEU 97 Ca 0.00 2.17 -0.22 0.00 -1.03 0.00 0.00 54.13 55.05 3a1p s LEU 97 Cb 0.00 -4.30 -0.09 0.00 0.03 0.00 0.00 46.19 41.82 3a1p s LEU 97 CO 0.00 -0.82 1.01 -2.16 0.23 0.00 0.00 176.35 174.61 3a1p s PRO 98 N -2.77 4.12 -0.12 1.29 0.04 -1.26 -1.35 135.00 134.94 3a1p s PRO 98 Ca 0.63 1.35 -0.01 0.00 0.04 0.00 0.00 61.00 63.02 3a1p s PRO 98 Cb -0.25 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 3a1p s PRO 98 CO 0.30 -0.16 -0.10 0.08 0.04 0.00 0.00 177.00 177.17 3a1p s VAL 99 N -1.87 3.38 0.08 -0.36 1.01 -0.61 -1.78 120.40 120.25 3a1p s VAL 99 Ca 0.61 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 62.13 3a1p s VAL 99 Cb -0.17 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3a1p s VAL 99 CO 0.21 0.53 -0.24 -0.31 0.00 0.00 0.00 175.10 175.29 3a1p s TYR 100 N 0.14 2.39 -0.13 5.22 1.51 0.12 -1.03 117.35 125.58 3a1p s TYR 100 Ca -0.05 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 3a1p s TYR 100 Cb -0.14 -1.35 0.03 0.00 -0.11 0.00 0.00 41.96 40.39 3a1p s TYR 100 CO 0.04 0.26 -0.04 0.08 -1.11 0.00 0.00 175.55 174.78 3a1p s VAL 101 N -0.97 0.88 -1.39 0.71 1.01 -0.42 -0.22 120.40 120.01 3a1p s VAL 101 Ca 0.14 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 3a1p s VAL 101 Cb -0.10 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.29 3a1p s VAL 101 CO 0.05 0.23 0.67 -0.62 0.00 0.00 0.00 175.10 175.43 3a1p n GLU 102 N 4.97 -4.47 -0.92 2.72 -0.58 -1.26 -1.66 120.64 119.45 3a1p n GLU 102 Ca -0.11 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 3a1p n GLU 102 Cb 0.49 -5.04 0.00 0.00 -0.57 0.00 0.00 31.44 26.32 3a1p n GLU 102 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a1p n GLY 103 N -1.70 0.42 3.26 0.62 0.00 -1.26 -5.01 105.19 101.52 3a1p n GLY 103 Ca -0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 3a1p n GLY 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1p s ARG 104 N -0.64 2.17 -0.01 1.61 0.52 -0.66 -5.09 118.95 116.85 3a1p s ARG 104 Ca 0.00 -0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 54.05 3a1p s ARG 104 Cb 0.00 -1.97 -0.05 0.00 0.52 0.00 0.00 34.95 33.45 3a1p s ARG 104 CO 0.00 0.44 1.40 -1.14 0.02 0.00 0.00 175.30 176.03 3a1p s GLN 105 N -0.36 4.28 -0.02 3.54 0.74 -1.26 -1.30 119.66 125.27 3a1p s GLN 105 Ca 0.03 1.96 0.06 0.00 0.05 0.00 0.00 55.36 57.46 3a1p s GLN 105 Cb -0.11 -3.59 -0.09 0.00 1.10 0.00 0.00 33.01 30.31 3a1p s GLN 105 CO 0.01 -0.59 0.11 1.33 -0.55 0.00 0.00 175.29 175.61 3a1p n VAL 106 N 4.71 0.09 -2.19 1.34 0.24 -0.19 -4.95 118.33 117.37 3a1p n VAL 106 Ca 0.13 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3a1p n VAL 106 Cb 0.44 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3a1p n VAL 106 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a1p n GLY 107 N 2.26 2.69 3.25 7.63 0.00 -1.16 -3.01 105.19 116.84 3a1p n GLY 107 Ca -0.03 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 3a1p n GLY 107 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a1p s GLU 108 N 0.75 0.39 -0.08 1.61 2.12 0.40 -1.58 118.70 122.32 3a1p s GLU 108 Ca 0.00 0.69 -0.30 0.00 0.36 0.00 0.00 54.97 55.72 3a1p s GLU 108 Cb 0.00 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.38 3a1p s GLU 108 CO 0.00 -0.13 1.47 0.08 -0.54 0.00 0.00 175.26 176.14 3a1p s VAL 109 N 1.05 3.83 -0.37 3.70 1.01 -0.46 -0.11 120.40 129.05 3a1p s VAL 109 Ca -0.07 1.06 0.16 0.00 0.00 0.00 0.00 61.98 63.13 3a1p s VAL 109 Cb -0.07 -3.68 -0.21 0.00 0.00 0.00 0.00 36.38 32.42 3a1p s VAL 109 CO -0.09 -0.07 0.50 1.33 0.00 0.00 0.00 175.10 176.77 3a1p n VAL 110 N 5.28 0.00 -3.63 2.92 0.24 -0.10 -0.47 118.33 122.57 3a1p n VAL 110 Ca 0.15 -0.25 -0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3a1p n VAL 110 Cb 0.44 0.57 -0.01 0.00 -1.47 0.00 0.00 33.84 33.36 3a1p n VAL 110 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3a1p s ASP 111 N -3.14 -0.09 -0.03 -1.34 2.15 -1.18 -4.89 116.67 108.15 3a1p s ASP 111 Ca -0.00 -0.14 0.01 0.00 0.43 0.00 0.00 52.55 52.84 3a1p s ASP 111 Cb 0.11 0.20 0.02 0.00 -0.30 0.00 0.00 42.92 42.95 3a1p s ASP 111 CO 0.64 -0.37 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.62 3a1p s ILE 112 N -2.55 0.34 -0.19 4.11 1.01 -1.26 -0.68 121.20 121.97 3a1p s ILE 112 Ca 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 3a1p s ILE 112 Cb 0.03 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 42.08 3a1p s ILE 112 CO -0.03 0.17 0.06 -0.22 0.00 0.00 0.00 174.94 174.91 3a1p s LEU 113 N 0.77 3.72 -0.54 2.97 2.96 0.70 -4.89 118.68 124.37 3a1p s LEU 113 Ca -0.09 0.01 -0.26 0.00 -0.22 0.00 0.00 54.13 53.57 3a1p s LEU 113 Cb -0.12 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.66 3a1p s LEU 113 CO -0.01 0.13 1.04 -0.62 -1.32 0.00 0.00 176.35 175.57 3a1p s ASP 114 N 0.62 6.43 -0.00 3.68 2.15 -1.26 0.01 116.67 128.29 3a1p s ASP 114 Ca 0.03 -0.05 0.14 0.00 0.43 0.00 0.00 52.55 53.10 3a1p s ASP 114 Cb -0.13 -2.49 0.39 0.00 -0.30 0.00 0.00 42.92 40.40 3a1p s ASP 114 CO 0.02 -1.29 1.33 0.00 -0.17 0.00 0.00 175.17 175.06 3a1p n ALA 115 N 7.78 2.44 0.00 3.66 0.00 -0.18 -4.96 120.51 129.25 3a1p n ALA 115 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.71 3a1p n ALA 115 Cb 0.48 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3a1p n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1p n GLY 116 N 1.20 2.06 0.19 0.00 0.00 -1.26 -4.41 105.19 102.97 3a1p n GLY 116 Ca 0.15 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 3a1p n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1p h ALA 117 N 0.00 0.43 -1.98 4.61 0.00 -2.00 -3.47 119.26 116.86 3a1p h ALA 117 Ca 0.00 -0.30 -0.47 0.00 0.00 0.00 0.00 54.91 54.14 3a1p h ALA 117 Cb 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.54 3a1p h ALA 117 CO 0.00 0.28 -0.59 -0.65 0.00 0.00 0.00 179.25 178.29 3a1p s GLN 118 N -4.72 1.68 -0.09 0.00 -0.21 -1.26 -5.10 119.66 109.96 3a1p s GLN 118 Ca -0.13 -1.96 0.00 0.00 0.02 0.00 0.00 55.36 53.29 3a1p s GLN 118 Cb 0.09 -0.71 -0.03 0.00 1.00 0.00 0.00 33.01 33.36 3a1p s GLN 118 CO 0.79 -0.28 -0.07 -0.51 -2.12 0.00 0.00 175.29 173.11 3a1p s ASP 119 N -3.49 4.64 -0.21 5.90 1.01 -1.26 -1.01 116.67 122.25 3a1p s ASP 119 Ca 0.34 -0.05 -0.02 0.00 0.71 0.00 0.00 52.55 53.52 3a1p s ASP 119 Cb 0.07 -1.29 0.00 0.00 1.01 0.00 0.00 42.92 42.71 3a1p s ASP 119 CO 0.15 0.32 -0.09 -0.69 0.21 0.00 0.00 175.17 175.07 3a1p s VAL 120 N -0.56 2.96 0.12 -1.27 1.01 0.10 -0.67 120.40 122.09 3a1p s VAL 120 Ca 0.08 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 3a1p s VAL 120 Cb -0.12 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.87 3a1p s VAL 120 CO 0.02 0.45 1.07 -0.76 0.00 0.00 0.00 175.10 175.88 3a1p s LEU 121 N 1.42 4.46 -0.27 3.92 1.43 -0.02 -0.21 118.68 129.40 3a1p s LEU 121 Ca 0.05 1.96 -0.07 0.00 -1.03 0.00 0.00 54.13 55.04 3a1p s LEU 121 Cb -0.14 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 3a1p s LEU 121 CO -0.06 -0.23 0.07 -0.63 0.23 0.00 0.00 176.35 175.73 3a1p s ILE 122 N 0.19 4.11 -0.10 -0.59 -1.09 0.14 -1.49 121.20 122.37 3a1p s ILE 122 Ca 0.51 -0.46 -0.01 0.00 -2.23 0.00 0.00 60.65 58.46 3a1p s ILE 122 Cb -0.27 -3.03 -0.03 0.00 -1.58 0.00 0.00 42.46 37.56 3a1p s ILE 122 CO 0.32 0.20 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.53 3a1p s ILE 123 N 1.55 3.66 -0.18 2.92 1.01 0.65 -0.92 121.20 129.89 3a1p s ILE 123 Ca 0.04 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 3a1p s ILE 123 Cb -0.16 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3a1p s ILE 123 CO 0.03 0.56 0.05 -0.60 0.00 0.00 0.00 174.94 174.97 3a1p s ARG 124 N -0.31 3.93 0.61 2.79 6.06 0.84 -1.67 118.95 131.20 3a1p s ARG 124 Ca 0.04 -0.37 -0.18 0.00 -2.50 0.00 0.00 55.73 52.72 3a1p s ARG 124 Cb -0.13 -3.17 -0.03 0.00 0.06 0.00 0.00 34.95 31.69 3a1p s ARG 124 CO 0.02 0.28 1.23 0.20 -2.50 0.00 0.00 175.30 174.53 3a1p s GLY 125 N 0.34 2.75 0.12 8.12 0.00 -1.26 -0.45 107.32 116.94 3a1p s GLY 125 Ca 0.02 1.05 0.09 0.00 0.00 0.00 0.00 44.72 45.89 3a1p s GLY 125 CO 0.00 1.46 -0.22 -1.34 0.00 0.00 0.00 173.10 173.00 3a1p s VAL 126 N -1.57 1.90 0.00 1.40 -7.23 -1.16 -3.88 120.40 109.86 3a1p s VAL 126 Ca 0.79 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 3a1p s VAL 126 Cb -0.32 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 34.89 3a1p s VAL 126 CO 0.35 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 3a1p n GLY 127 N 0.91 -0.45 0.37 2.32 0.00 -1.26 -3.94 105.19 103.15 3a1p n GLY 127 Ca -0.18 -1.39 0.29 0.00 0.00 0.00 0.00 46.02 44.75 3a1p n GLY 127 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a1p h GLU 128 N 0.00 0.19 -0.12 1.61 4.39 -1.98 0.71 114.58 119.37 3a1p h GLU 128 Ca 0.00 -0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.49 3a1p h GLU 128 Cb 0.00 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3a1p h GLU 128 CO 0.00 0.12 -0.73 -0.09 -1.16 0.00 0.00 179.01 177.15 3a1p h ARG 129 N 0.19 0.59 0.00 2.33 2.43 -2.01 -3.37 114.38 114.54 3a1p h ARG 129 Ca 0.78 -0.47 -0.16 0.00 -0.81 0.00 0.00 59.98 59.32 3a1p h ARG 129 Cb 2.05 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 31.66 3a1p h ARG 129 CO -0.57 1.09 -1.97 1.28 -1.51 0.00 0.00 179.97 178.29 3a1p n LEU 130 N -3.89 0.00 -0.35 3.80 4.77 -0.64 -4.56 117.00 116.13 3a1p n LEU 130 Ca -0.05 0.00 0.33 0.00 -0.03 0.00 0.00 56.01 56.26 3a1p n LEU 130 Cb 0.71 0.22 0.69 0.00 -2.33 0.00 0.00 43.42 42.71 3a1p n LEU 130 CO 0.50 0.22 1.30 -0.09 -1.33 0.00 0.00 177.39 177.99 3a1p h ARG 131 N 0.00 0.10 -0.64 3.23 2.43 0.27 -1.48 114.38 118.30 3a1p h ARG 131 Ca -0.24 -0.01 -0.28 0.00 -0.81 0.00 0.00 59.98 58.64 3a1p h ARG 131 Cb 1.46 -0.02 -0.17 0.00 -0.42 0.00 0.00 29.97 30.82 3a1p h ARG 131 CO 0.01 0.07 0.24 -0.25 -1.51 0.00 0.00 179.97 178.53 3a1p n ASP 132 N -4.31 3.50 -4.88 -3.80 8.00 -1.26 -4.61 116.55 109.18 3a1p n ASP 132 Ca 0.27 -3.54 -0.21 0.00 0.71 0.00 0.00 54.79 52.02 3a1p n ASP 132 Cb 1.21 -0.72 0.09 0.00 -0.02 0.00 0.00 41.12 41.68 3a1p n ASP 132 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3a1p s ARG 133 N -3.18 1.96 0.86 -1.24 1.81 -0.56 -5.09 118.95 113.51 3a1p s ARG 133 Ca 0.51 -1.52 -0.12 0.00 -1.72 0.00 0.00 55.73 52.88 3a1p s ARG 133 Cb 0.43 -2.51 0.11 0.00 -0.45 0.00 0.00 34.95 32.53 3a1p s ARG 133 CO 0.07 -1.19 1.11 0.00 -0.68 0.00 0.00 175.30 174.62 3a1p s ALA 134 N -2.90 1.96 0.43 2.13 0.00 -1.26 -4.86 121.76 117.26 3a1p s ALA 134 Ca 0.65 -0.34 -0.24 0.00 0.00 0.00 0.00 51.96 52.03 3a1p s ALA 134 Cb -0.05 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 19.91 3a1p s ALA 134 CO 0.42 -2.04 1.13 -1.21 0.00 0.00 0.00 175.76 174.06 3a1p s GLU 135 N -5.19 3.96 -0.09 0.00 2.02 -1.26 -4.76 118.70 113.38 3a1p s GLU 135 Ca 0.62 1.71 -0.02 0.00 0.02 0.00 0.00 54.97 57.30 3a1p s GLU 135 Cb -0.15 -2.51 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 3a1p s GLU 135 CO 0.54 -0.37 -0.01 1.03 0.02 0.00 0.00 175.26 176.47 3a1p s ARG 136 N -2.54 3.02 -0.05 1.61 0.52 -0.67 -4.92 118.95 115.93 3a1p s ARG 136 Ca 0.60 -0.44 0.03 0.00 -0.52 0.00 0.00 55.73 55.41 3a1p s ARG 136 Cb -0.27 -2.78 -0.03 0.00 0.52 0.00 0.00 34.95 32.39 3a1p s ARG 136 CO 0.33 0.65 -0.12 -0.51 0.02 0.00 0.00 175.30 175.68 3a1p s LEU 137 N -0.74 2.89 -0.09 2.53 1.02 -1.26 -0.26 118.68 122.77 3a1p s LEU 137 Ca 0.12 -0.15 -0.04 0.00 0.02 0.00 0.00 54.13 54.07 3a1p s LEU 137 Cb -0.11 -1.61 0.05 0.00 0.02 0.00 0.00 46.19 44.53 3a1p s LEU 137 CO 0.02 0.34 0.20 -0.69 0.02 0.00 0.00 176.35 176.24 3a1p s VAL 138 N -0.79 -0.11 0.12 -1.59 1.01 -0.56 -4.95 120.40 113.54 3a1p s VAL 138 Ca 0.12 0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.99 3a1p s VAL 138 Cb -0.11 -0.32 -0.09 0.00 0.00 0.00 0.00 36.38 35.86 3a1p s VAL 138 CO 0.02 0.08 1.55 -2.84 0.00 0.00 0.00 175.10 173.90 3a1p s PRO 139 N 1.46 4.23 0.15 2.72 0.02 -1.26 -0.84 135.00 141.49 3a1p s PRO 139 Ca -0.07 2.28 -0.13 0.00 0.02 0.00 0.00 61.00 63.10 3a1p s PRO 139 Cb -0.11 -3.30 0.04 0.00 0.02 0.00 0.00 34.50 31.15 3a1p s PRO 139 CO -0.07 -0.60 1.69 1.25 -0.33 0.00 0.00 177.00 178.93 3a1p h LEU 140 N 7.30 0.74 0.00 -5.54 5.85 -1.27 -2.73 115.31 119.66 3a1p h LEU 140 Ca -0.42 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.10 3a1p h LEU 140 Cb 1.20 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3a1p h LEU 140 CO 0.91 0.74 0.00 0.00 -0.34 0.00 0.00 178.44 179.75 3a1p n GLN 141 N -4.50 0.77 -2.03 1.25 3.00 -1.26 -4.75 117.38 109.87 3a1p n GLN 141 Ca 0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.62 3a1p n GLN 141 Cb 0.19 -1.31 0.00 0.00 0.00 0.00 0.00 30.24 29.12 3a1p n GLN 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3a1p s ALA 142 N -2.00 3.15 0.41 -1.58 0.00 -1.03 -4.89 121.76 115.82 3a1p s ALA 142 Ca 0.23 1.22 0.33 0.00 0.00 0.00 0.00 51.96 53.74 3a1p s ALA 142 Cb 0.11 -3.49 1.67 0.00 0.00 0.00 0.00 23.12 21.40 3a1p s ALA 142 CO 0.18 -0.91 2.13 -1.00 0.00 0.00 0.00 175.76 176.16 3a1p h PRO 143 N 2.37 0.00 -0.47 0.00 0.13 -1.91 -2.47 132.00 129.64 3a1p h PRO 143 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3a1p h PRO 143 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3a1p h PRO 143 CO 0.61 0.06 0.00 2.48 -0.23 0.00 0.00 178.00 180.93 3a1p n TYR 144 N -3.39 0.51 -5.11 1.56 0.18 -1.26 -4.79 117.16 104.85 3a1p n TYR 144 Ca -0.02 -0.21 -0.32 0.00 1.88 0.00 0.00 57.90 59.23 3a1p n TYR 144 Cb 0.21 -0.09 -0.16 0.00 -0.38 0.00 0.00 39.34 38.93 3a1p n TYR 144 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3a1p s VAL 145 N -1.64 2.39 -0.03 -3.48 1.01 -0.93 -1.41 120.40 116.31 3a1p s VAL 145 Ca 0.19 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.28 3a1p s VAL 145 Cb 0.12 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 3a1p s VAL 145 CO 0.10 0.56 -0.16 -0.13 0.00 0.00 0.00 175.10 175.47 3a1p s ARG 146 N -0.05 1.50 -0.19 2.72 0.52 0.13 -4.85 118.95 118.72 3a1p s ARG 146 Ca -0.06 -0.58 -0.06 0.00 -0.52 0.00 0.00 55.73 54.52 3a1p s ARG 146 Cb -0.14 -1.37 -0.03 0.00 0.52 0.00 0.00 34.95 33.92 3a1p s ARG 146 CO 0.05 0.29 0.02 0.08 0.02 0.00 0.00 175.30 175.75 3a1p s VAL 147 N -0.16 4.21 0.39 3.52 1.01 -1.26 -0.31 120.40 127.80 3a1p s VAL 147 Ca 0.01 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.82 3a1p s VAL 147 Cb -0.09 -2.90 -0.07 0.00 0.00 0.00 0.00 36.38 33.32 3a1p s VAL 147 CO 0.01 0.44 0.02 -0.70 0.00 0.00 0.00 175.10 174.87 3a1p s GLU 148 N 0.75 1.88 -0.35 2.72 2.12 -0.01 -5.02 118.70 120.80 3a1p s GLU 148 Ca 0.01 -2.06 -0.29 0.00 0.36 0.00 0.00 54.97 52.99 3a1p s GLU 148 Cb -0.14 -1.41 -0.01 0.00 0.26 0.00 0.00 34.13 32.83 3a1p s GLU 148 CO 0.02 -0.10 1.68 -1.21 -0.54 0.00 0.00 175.26 175.11 3a1p s GLU 149 N -3.77 3.43 0.00 4.30 2.02 -1.26 -2.76 118.70 120.66 3a1p s GLU 149 Ca 0.35 1.30 0.00 0.00 0.02 0.00 0.00 54.97 56.63 3a1p s GLU 149 Cb 0.09 -4.14 0.00 0.00 0.10 0.00 0.00 34.13 30.18 3a1p s GLU 149 CO 0.17 -1.75 0.00 0.41 0.02 0.00 0.00 175.26 174.11 3a1p n GLY 150 N 5.30 0.75 3.60 -1.39 0.00 -1.26 -5.03 105.19 107.16 3a1p n GLY 150 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 3a1p n GLY 150 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a1p s SER 151 N -2.54 -0.29 0.02 1.61 1.04 -1.11 -4.34 113.70 108.09 3a1p s SER 151 Ca 0.00 -0.16 0.06 0.00 0.48 0.00 0.00 55.95 56.33 3a1p s SER 151 Cb 0.00 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 3a1p s SER 151 CO 0.00 -0.73 -0.17 -0.63 0.98 0.00 0.00 173.24 172.69 3a1p s ILE 152 N -3.18 1.39 -0.03 -1.02 1.01 -0.74 -0.83 121.20 117.80 3a1p s ILE 152 Ca 0.08 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.82 3a1p s ILE 152 Cb -0.01 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 3a1p s ILE 152 CO -0.05 0.22 -0.18 -1.00 0.00 0.00 0.00 174.94 173.94 3a1p s HIS 153 N -0.65 1.67 -0.02 3.97 3.76 0.58 0.13 115.29 124.73 3a1p s HIS 153 Ca 0.06 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.59 3a1p s HIS 153 Cb -0.08 -1.10 -0.00 0.00 1.11 0.00 0.00 32.58 32.51 3a1p s HIS 153 CO 0.01 -0.10 -0.11 0.08 -0.85 0.00 0.00 174.74 173.77 3a1p s VAL 154 N -0.19 0.93 -0.97 -0.90 1.01 0.69 0.19 120.40 121.17 3a1p s VAL 154 Ca 0.01 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 3a1p s VAL 154 Cb -0.09 -0.81 0.25 0.00 0.00 0.00 0.00 36.38 35.73 3a1p s VAL 154 CO 0.01 0.28 0.92 -1.81 0.00 0.00 0.00 175.10 174.49 3a1p s ASP 155 N 0.01 6.77 -0.31 3.32 1.01 -0.50 -4.30 116.67 122.66 3a1p s ASP 155 Ca -0.01 -3.39 -0.39 0.00 0.71 0.00 0.00 52.55 49.47 3a1p s ASP 155 Cb -0.08 -2.12 -0.15 0.00 1.01 0.00 0.00 42.92 41.59 3a1p s ASP 155 CO 0.00 -0.33 1.90 -0.81 0.21 0.00 0.00 175.17 176.14 3a1p n PRO 156 N 2.93 1.07 -2.05 8.23 -0.04 -1.26 -4.93 135.00 138.95 3a1p n PRO 156 Ca 0.20 0.36 -0.31 0.00 -0.04 0.00 0.00 63.50 63.71 3a1p n PRO 156 Cb 0.40 -2.16 -0.00 0.00 -0.04 0.00 0.00 33.50 31.70 3a1p n PRO 156 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3a1p s ILE 157 N 4.74 4.66 0.21 0.52 -4.36 -1.26 -4.95 121.20 120.76 3a1p s ILE 157 Ca 1.03 0.96 -0.32 0.00 -0.26 0.00 0.00 60.65 62.06 3a1p s ILE 157 Cb -1.04 -3.83 -0.13 0.00 1.25 0.00 0.00 42.46 38.71 3a1p s ILE 157 CO 0.61 -1.00 1.55 -2.65 0.24 0.00 0.00 174.94 173.68 3a1p n PRO 158 N -2.39 2.26 0.00 0.37 -0.02 -1.26 -1.86 135.00 132.10 3a1p n PRO 158 Ca 0.06 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3a1p n PRO 158 Cb 0.54 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3a1p n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a1p n GLY 159 N 2.94 3.26 0.35 -1.23 0.00 -1.26 -4.94 105.19 104.32 3a1p n GLY 159 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 3a1p n GLY 159 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a1p h LEU 160 N 0.00 -1.02 -6.76 0.99 5.85 -1.74 -3.04 115.31 109.60 3a1p h LEU 160 Ca 0.00 0.09 -0.80 0.00 0.84 0.00 0.00 57.88 58.00 3a1p h LEU 160 Cb 0.00 0.35 -0.26 0.00 0.37 0.00 0.00 40.66 41.11 3a1p h LEU 160 CO 0.00 -0.46 0.98 0.49 -0.34 0.00 0.00 178.44 179.12 3a1p n PHE 161 N -4.58 2.36 -1.56 1.25 3.72 -1.26 -4.80 117.46 112.59 3a1p n PHE 161 Ca -0.08 -2.59 0.00 0.00 -0.05 0.00 0.00 57.45 54.73 3a1p n PHE 161 Cb 0.32 -1.33 0.00 0.00 -0.94 0.00 0.00 39.48 37.53 3a1p n PHE 161 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46