#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pn3 s ARG 2 N 0.00 0.81 -0.03 3.17 3.52 -1.26 -0.26 118.95 124.90 1pn3 s ARG 2 Ca 0.00 -0.05 0.06 0.00 -0.13 0.00 0.00 55.73 55.62 1pn3 s ARG 2 Cb 0.00 -0.93 -0.02 0.00 -1.56 0.00 0.00 34.95 32.44 1pn3 s ARG 2 CO 0.00 -0.17 -0.22 0.14 -0.81 0.00 0.00 175.30 174.24 1pn3 s VAL 3 N 1.31 2.35 -0.27 7.11 -7.23 -0.09 0.71 120.40 124.29 1pn3 s VAL 3 Ca -0.05 -0.99 -0.10 0.00 -1.81 0.00 0.00 61.98 59.03 1pn3 s VAL 3 Cb -0.14 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 1pn3 s VAL 3 CO -0.02 0.58 0.16 -0.22 -0.31 0.00 0.00 175.10 175.29 1pn3 s LEU 4 N -0.57 3.90 -0.23 1.32 2.96 -0.78 -1.52 118.68 123.76 1pn3 s LEU 4 Ca 0.08 -0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.88 1pn3 s LEU 4 Cb -0.11 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 1pn3 s LEU 4 CO 0.00 -0.05 0.00 -0.63 -1.32 0.00 0.00 176.35 174.35 1pn3 s ILE 5 N 1.73 3.75 0.34 6.68 1.01 -0.14 -1.34 121.20 133.22 1pn3 s ILE 5 Ca 0.07 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.40 1pn3 s ILE 5 Cb -0.16 -2.73 -0.07 0.00 0.01 0.00 0.00 42.46 39.51 1pn3 s ILE 5 CO 0.09 0.38 0.00 0.42 0.00 0.00 0.00 174.94 175.83 1pn3 s THR 6 N 1.53 1.65 0.00 2.92 -4.23 -0.24 -1.50 115.64 115.77 1pn3 s THR 6 Ca 0.06 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1pn3 s THR 6 Cb -0.15 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.93 1pn3 s THR 6 CO -0.00 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1pn3 n GLY 7 N -0.76 2.92 2.74 3.99 0.00 -1.02 -2.81 105.19 110.24 1pn3 n GLY 7 Ca -0.04 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 1pn3 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn3 n GLY 9 N 5.17 -1.73 0.77 0.00 0.00 -1.26 -0.85 105.19 107.29 1pn3 n GLY 9 Ca -0.06 -1.16 -0.07 0.00 0.00 0.00 0.00 46.02 44.73 1pn3 n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pn3 n SER 10 N 2.23 -1.40 -0.07 1.61 3.41 -1.26 -4.68 113.62 113.46 1pn3 n SER 10 Ca 0.00 -0.59 -0.01 0.00 -0.26 0.00 0.00 58.87 58.01 1pn3 n SER 10 Cb 0.00 -0.22 0.25 0.00 -0.26 0.00 0.00 64.21 63.98 1pn3 n SER 10 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1pn3 h ARG 11 N 0.00 0.69 -0.06 4.33 2.43 -2.02 -0.78 114.38 118.97 1pn3 h ARG 11 Ca -0.09 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 58.84 1pn3 h ARG 11 Cb 0.28 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1pn3 h ARG 11 CO 0.06 0.64 -0.45 0.78 -1.51 0.00 0.00 179.97 179.49 1pn3 h GLY 12 N 0.89 0.15 1.49 2.80 0.00 -2.01 0.12 103.07 106.52 1pn3 h GLY 12 Ca 0.15 -0.15 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1pn3 h GLY 12 CO -0.00 0.13 -1.35 -0.55 0.00 0.00 0.00 176.54 174.77 1pn3 h ASP 13 N 0.12 0.11 0.19 0.19 3.32 -1.82 -3.40 116.42 115.13 1pn3 h ASP 13 Ca 0.01 -0.15 -0.35 0.00 0.02 0.00 0.00 57.03 56.56 1pn3 h ASP 13 Cb 0.84 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.36 1pn3 h ASP 13 CO 0.06 1.13 -1.72 0.74 -1.72 0.00 0.00 179.24 177.73 1pn3 h THR 14 N 0.02 0.96 -0.91 0.35 2.02 -1.00 -3.39 112.91 110.96 1pn3 h THR 14 Ca -0.15 -2.51 0.19 0.00 0.77 0.00 0.00 66.41 64.71 1pn3 h THR 14 Cb 1.91 2.78 -0.11 0.00 -1.74 0.00 0.00 68.15 70.99 1pn3 h THR 14 CO 0.13 0.85 0.47 -0.33 0.37 0.00 0.00 175.52 177.00 1pn3 h GLU 15 N 0.08 0.54 -0.68 6.66 4.39 -0.96 -0.71 114.58 123.90 1pn3 h GLU 15 Ca -0.34 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.31 1pn3 h GLU 15 Cb 2.08 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 30.58 1pn3 h GLU 15 CO 0.18 0.36 0.34 -1.35 -1.16 0.00 0.00 179.01 177.37 1pn3 h PRO 16 N 0.55 0.95 -0.41 2.33 0.11 -1.75 -1.62 132.00 132.17 1pn3 h PRO 16 Ca 0.54 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 66.49 1pn3 h PRO 16 Cb 0.92 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 1pn3 h PRO 16 CO -0.44 0.73 0.11 -0.07 -0.21 0.00 0.00 178.00 178.11 1pn3 h LEU 17 N 0.95 0.61 -1.14 2.35 3.38 -1.34 -1.36 115.31 118.76 1pn3 h LEU 17 Ca 0.24 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1pn3 h LEU 17 Cb 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1pn3 h LEU 17 CO -0.03 0.68 -0.26 0.58 0.09 0.00 0.00 178.44 179.49 1pn3 h VAL 18 N 0.52 1.25 -0.17 1.22 2.07 -1.15 -1.43 116.25 118.56 1pn3 h VAL 18 Ca 0.13 -1.17 -0.15 0.00 0.82 0.00 0.00 66.70 66.33 1pn3 h VAL 18 Cb 0.30 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1pn3 h VAL 18 CO 0.00 0.36 -0.51 0.00 0.02 0.00 0.00 177.57 177.44 1pn3 h ALA 19 N 1.48 0.80 -0.16 1.67 0.00 -0.95 -1.50 119.26 120.60 1pn3 h ALA 19 Ca 0.04 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 54.27 1pn3 h ALA 19 Cb 0.60 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1pn3 h ALA 19 CO 0.04 0.68 -0.64 1.25 0.00 0.00 0.00 179.25 180.58 1pn3 h LEU 20 N 0.37 0.83 -0.18 0.00 5.85 -0.95 -2.48 115.31 118.75 1pn3 h LEU 20 Ca 0.01 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.12 1pn3 h LEU 20 Cb 1.02 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1pn3 h LEU 20 CO 0.09 1.31 0.12 0.00 -0.34 0.00 0.00 178.44 179.62 1pn3 h ALA 21 N 0.54 0.23 -0.46 1.25 0.00 -1.20 -0.01 119.26 119.61 1pn3 h ALA 21 Ca -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1pn3 h ALA 21 Cb 1.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1pn3 h ALA 21 CO 0.13 -0.27 0.19 0.00 0.00 0.00 0.00 179.25 179.30 1pn3 h ALA 22 N 1.05 1.47 -0.38 0.00 0.00 -1.32 -1.42 119.26 118.66 1pn3 h ALA 22 Ca 0.07 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1pn3 h ALA 22 Cb -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1pn3 h ALA 22 CO -0.01 0.41 -0.31 -0.09 0.00 0.00 0.00 179.25 179.25 1pn3 h ARG 23 N 0.65 0.88 -0.45 0.00 9.65 -0.95 -0.44 114.38 123.72 1pn3 h ARG 23 Ca 0.16 -0.44 -0.03 0.00 -1.10 0.00 0.00 59.98 58.57 1pn3 h ARG 23 Cb 0.12 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 1pn3 h ARG 23 CO -0.02 1.09 0.17 -0.07 2.80 0.00 0.00 179.97 183.94 1pn3 h LEU 24 N 0.69 0.63 -0.05 3.80 3.38 -0.51 -1.16 115.31 122.09 1pn3 h LEU 24 Ca 0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1pn3 h LEU 24 Cb 0.90 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1pn3 h LEU 24 CO 0.08 0.64 0.01 0.03 0.09 0.00 0.00 178.44 179.29 1pn3 h ARG 25 N 0.59 0.08 0.00 1.13 3.08 -1.25 0.20 114.38 118.21 1pn3 h ARG 25 Ca 0.15 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1pn3 h ARG 25 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1pn3 h ARG 25 CO -0.01 0.26 0.25 1.49 -1.07 0.00 0.00 179.97 180.89 1pn3 h GLU 26 N -0.12 0.00 -0.48 0.04 4.81 -0.80 1.00 114.58 119.03 1pn3 h GLU 26 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1pn3 h GLU 26 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1pn3 h GLU 26 CO -0.00 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.56 1pn3 n LEU 27 N -2.59 3.29 -0.77 1.64 4.77 -0.46 -4.98 117.00 117.91 1pn3 n LEU 27 Ca -0.02 -1.99 -0.04 0.00 -0.03 0.00 0.00 56.01 53.93 1pn3 n LEU 27 Cb 0.29 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1pn3 n LEU 27 CO 0.11 0.82 0.01 0.61 -1.33 0.00 0.00 177.39 177.62 1pn3 n GLY 28 N 0.92 0.56 3.36 -0.72 0.00 0.35 -5.03 105.19 104.62 1pn3 n GLY 28 Ca 0.16 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1pn3 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn3 s ALA 29 N -2.74 2.30 -0.81 4.61 0.00 0.60 -4.52 121.76 121.20 1pn3 s ALA 29 Ca 0.06 -1.24 -0.19 0.00 0.00 0.00 0.00 51.96 50.59 1pn3 s ALA 29 Cb -0.03 -0.53 0.12 0.00 0.00 0.00 0.00 23.12 22.69 1pn3 s ALA 29 CO 0.07 0.54 0.99 0.34 0.00 0.00 0.00 175.76 177.70 1pn3 s ASP 30 N -1.19 6.47 -0.13 0.00 3.68 0.65 -3.40 116.67 122.76 1pn3 s ASP 30 Ca 0.12 -1.79 -0.02 0.00 2.13 0.00 0.00 52.55 52.99 1pn3 s ASP 30 Cb -0.10 -2.37 -0.03 0.00 -1.45 0.00 0.00 42.92 38.97 1pn3 s ASP 30 CO 0.02 -1.10 -0.05 0.00 0.13 0.00 0.00 175.17 174.17 1pn3 s ALA 31 N 2.73 2.98 0.14 3.66 0.00 -1.26 -0.91 121.76 129.10 1pn3 s ALA 31 Ca 0.26 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.41 1pn3 s ALA 31 Cb -0.11 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 1pn3 s ALA 31 CO -0.03 0.34 -0.07 -0.98 0.00 0.00 0.00 175.76 175.01 1pn3 s ARG 32 N -0.02 1.02 0.28 0.00 1.70 -0.58 -4.50 118.95 116.85 1pn3 s ARG 32 Ca 0.01 -1.44 0.07 0.00 -0.47 0.00 0.00 55.73 53.90 1pn3 s ARG 32 Cb -0.13 -0.46 -0.06 0.00 -0.57 0.00 0.00 34.95 33.73 1pn3 s ARG 32 CO 0.03 0.01 -0.08 -1.64 -1.08 0.00 0.00 175.30 172.54 1pn3 s MET 33 N -3.80 1.58 -0.35 3.89 -1.94 -0.43 -0.97 119.30 117.27 1pn3 s MET 33 Ca 0.17 -1.79 0.02 0.00 -1.71 0.00 0.00 55.69 52.38 1pn3 s MET 33 Cb 0.04 -1.26 0.11 0.00 2.01 0.00 0.00 34.83 35.72 1pn3 s MET 33 CO -0.00 0.08 0.10 0.00 -0.01 0.00 0.00 175.02 175.19 1pn3 s LEU 35 N 1.02 2.45 0.70 0.00 1.43 -1.07 -2.44 118.68 120.77 1pn3 s LEU 35 Ca 0.12 -0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 52.17 1pn3 s LEU 35 Cb -0.19 -0.58 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 1pn3 s LEU 35 CO -0.13 -0.16 0.84 -2.65 0.23 0.00 0.00 176.35 174.48 1pn3 n PRO 36 N 0.24 0.50 -0.35 1.29 -0.02 -1.26 -2.01 135.00 133.40 1pn3 n PRO 36 Ca -0.13 0.22 0.25 0.00 -2.02 0.00 0.00 63.50 61.82 1pn3 n PRO 36 Cb 0.58 -2.09 0.51 0.00 -0.02 0.00 0.00 33.50 32.47 1pn3 n PRO 36 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1pn3 h PRO 37 N -0.18 0.33 0.00 0.52 0.13 -1.78 -2.17 132.00 128.86 1pn3 h PRO 37 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1pn3 h PRO 37 Cb 1.34 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1pn3 h PRO 37 CO 0.46 0.22 0.00 -0.40 -0.23 0.00 0.00 178.00 178.05 1pn3 n ASP 38 N -4.80 0.00 -1.58 1.44 3.85 -1.26 -2.34 116.55 111.87 1pn3 n ASP 38 Ca 0.30 -0.15 0.08 0.00 -0.71 0.00 0.00 54.79 54.31 1pn3 n ASP 38 Cb 1.00 -0.05 0.36 0.00 -1.35 0.00 0.00 41.12 41.08 1pn3 n ASP 38 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 1pn3 n TYR 39 N -1.05 1.65 0.29 2.11 4.02 -0.82 -4.61 117.16 118.75 1pn3 n TYR 39 Ca 0.05 -0.72 -0.15 0.00 -0.01 0.00 0.00 57.90 57.07 1pn3 n TYR 39 Cb 0.03 -0.39 -0.08 0.00 -0.02 0.00 0.00 39.34 38.88 1pn3 n TYR 39 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1pn3 h VAL 40 N 3.54 0.33 0.00 -0.72 2.07 -1.70 -2.17 116.25 117.60 1pn3 h VAL 40 Ca 0.00 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1pn3 h VAL 40 Cb 1.70 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1pn3 h VAL 40 CO 0.35 0.04 0.00 -0.08 0.02 0.00 0.00 177.57 177.91 1pn3 h GLU 41 N -0.99 0.00 0.09 1.57 4.81 -1.86 -0.57 114.58 117.62 1pn3 h GLU 41 Ca -0.08 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.00 1pn3 h GLU 41 Cb 0.64 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.04 1pn3 h GLU 41 CO 0.13 0.00 -0.66 -0.09 -0.73 0.00 0.00 179.01 177.66 1pn3 h ARG 42 N 0.00 0.30 0.00 1.92 9.65 -1.84 -2.44 114.38 121.96 1pn3 h ARG 42 Ca 0.00 -0.43 -0.05 0.00 -1.10 0.00 0.00 59.98 58.39 1pn3 h ARG 42 Cb 0.35 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 1pn3 h ARG 42 CO 0.00 1.17 -0.25 0.00 2.80 0.00 0.00 179.97 183.69 1pn3 h ALA 44 N 1.75 0.09 0.00 0.00 0.00 -1.12 0.15 119.26 120.13 1pn3 h ALA 44 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1pn3 h ALA 44 Cb 0.54 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1pn3 h ALA 44 CO 0.03 -0.13 -0.08 0.93 0.00 0.00 0.00 179.25 180.01 1pn3 h GLU 45 N -0.27 0.00 0.00 0.00 5.08 -1.11 -2.37 114.58 115.91 1pn3 h GLU 45 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1pn3 h GLU 45 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1pn3 h GLU 45 CO 0.01 0.08 -1.62 0.28 -1.00 0.00 0.00 179.01 176.76 1pn3 n VAL 46 N -3.91 0.17 -2.04 3.13 0.31 -0.93 -5.01 118.33 110.06 1pn3 n VAL 46 Ca -0.02 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1pn3 n VAL 46 Cb 0.17 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 1pn3 n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pn3 n GLY 47 N 1.26 0.87 3.27 2.92 0.00 0.30 -5.00 105.19 108.81 1pn3 n GLY 47 Ca -0.02 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1pn3 n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pn3 s VAL 48 N -2.63 2.97 -0.20 1.61 1.01 0.04 -5.03 120.40 118.17 1pn3 s VAL 48 Ca 0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1pn3 s VAL 48 Cb 0.00 -2.31 -0.07 0.00 0.00 0.00 0.00 36.38 34.01 1pn3 s VAL 48 CO 0.00 0.47 2.18 -0.81 0.00 0.00 0.00 175.10 176.94 1pn3 n PRO 49 N 4.51 1.98 -4.66 2.72 -0.04 -1.26 -4.62 135.00 133.62 1pn3 n PRO 49 Ca -0.19 0.58 -0.29 0.00 -0.04 0.00 0.00 63.50 63.56 1pn3 n PRO 49 Cb 0.51 -3.09 -0.17 0.00 -0.04 0.00 0.00 33.50 30.71 1pn3 n PRO 49 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1pn3 s MET 50 N 6.01 2.47 -0.26 0.54 1.75 -1.26 -1.32 119.30 127.24 1pn3 s MET 50 Ca 1.00 -0.66 -0.08 0.00 -1.25 0.00 0.00 55.69 54.70 1pn3 s MET 50 Cb -0.43 -2.01 -0.03 0.00 2.84 0.00 0.00 34.83 35.20 1pn3 s MET 50 CO 0.38 0.01 0.08 0.54 -0.65 0.00 0.00 175.02 175.38 1pn3 s VAL 51 N 0.78 4.37 0.19 10.11 0.11 0.14 -4.94 120.40 131.16 1pn3 s VAL 51 Ca -0.10 -0.20 -0.30 0.00 -2.93 0.00 0.00 61.98 58.45 1pn3 s VAL 51 Cb -0.16 -3.07 -0.08 0.00 -1.53 0.00 0.00 36.38 31.54 1pn3 s VAL 51 CO 0.01 0.30 1.27 -2.16 -3.33 0.00 0.00 175.10 171.19 1pn3 s PRO 52 N 1.62 4.42 -0.01 1.54 0.04 -1.25 -2.60 135.00 138.76 1pn3 s PRO 52 Ca 0.06 1.99 0.01 0.00 0.04 0.00 0.00 61.00 63.10 1pn3 s PRO 52 Cb -0.15 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1pn3 s PRO 52 CO 0.04 -0.19 -0.04 0.08 0.04 0.00 0.00 177.00 176.92 1pn3 s VAL 53 N 0.05 0.37 0.00 -0.36 1.01 -0.85 -4.89 120.40 115.73 1pn3 s VAL 53 Ca 0.55 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1pn3 s VAL 53 Cb -0.35 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1pn3 s VAL 53 CO 0.38 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1pn3 n GLY 54 N 3.14 -1.04 3.84 4.51 0.00 -1.26 -3.98 105.19 110.40 1pn3 n GLY 54 Ca -0.15 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 1pn3 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pn3 s ARG 55 N 0.00 3.22 0.32 1.61 0.52 -1.26 -4.45 118.95 118.91 1pn3 s ARG 55 Ca 0.00 0.87 -0.27 0.00 -0.52 0.00 0.00 55.73 55.81 1pn3 s ARG 55 Cb 0.00 -2.03 -0.09 0.00 0.52 0.00 0.00 34.95 33.35 1pn3 s ARG 55 CO 0.00 -0.87 1.03 0.00 0.02 0.00 0.00 175.30 175.48 1pn3 s ALA 56 N -3.09 3.26 0.13 2.13 0.00 -1.26 -4.46 121.76 118.47 1pn3 s ALA 56 Ca 0.57 0.72 -0.02 0.00 0.00 0.00 0.00 51.96 53.23 1pn3 s ALA 56 Cb -0.13 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 1pn3 s ALA 56 CO 0.54 -0.05 1.30 0.28 0.00 0.00 0.00 175.76 177.83 1pn3 h VAL 57 N 2.72 1.45 -3.32 0.00 2.07 -1.92 -3.40 116.25 113.85 1pn3 h VAL 57 Ca -0.47 -2.60 -0.57 0.00 0.82 0.00 0.00 66.70 63.89 1pn3 h VAL 57 Cb 1.21 2.51 -0.06 0.00 -1.52 0.00 0.00 31.29 33.43 1pn3 h VAL 57 CO 0.65 0.77 0.91 -0.60 0.02 0.00 0.00 177.57 179.32 1pn3 s ARG 58 N -3.16 3.94 0.24 1.57 3.52 -1.26 -4.92 118.95 118.89 1pn3 s ARG 58 Ca -0.05 1.04 -0.10 0.00 -0.13 0.00 0.00 55.73 56.50 1pn3 s ARG 58 Cb 0.09 -3.82 0.37 0.00 -1.56 0.00 0.00 34.95 30.02 1pn3 s ARG 58 CO 0.86 -1.08 1.61 0.00 -0.81 0.00 0.00 175.30 175.87 1pn3 h ALA 59 N 8.78 0.60 -0.64 6.12 0.00 -1.96 0.27 119.26 132.43 1pn3 h ALA 59 Ca -0.23 0.29 0.19 0.00 0.00 0.00 0.00 54.91 55.16 1pn3 h ALA 59 Cb 1.07 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1pn3 h ALA 59 CO 1.05 -0.42 0.49 0.78 0.00 0.00 0.00 179.25 181.15 1pn3 h GLY 60 N 0.02 0.00 -0.68 0.00 0.00 -1.97 0.14 103.07 100.58 1pn3 h GLY 60 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1pn3 h GLY 60 CO -0.77 0.00 0.00 0.00 0.00 0.00 0.00 176.54 175.77 1pn3 n ALA 61 N -2.61 2.51 -2.74 3.60 0.00 0.95 -4.89 120.51 117.32 1pn3 n ALA 61 Ca 0.13 -0.45 -0.23 0.00 0.00 0.00 0.00 53.44 52.89 1pn3 n ALA 61 Cb 0.74 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 19.06 1pn3 n ALA 61 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pn3 s ARG 62 N -1.76 2.66 0.61 0.00 0.52 0.47 -4.82 118.95 116.62 1pn3 s ARG 62 Ca 0.26 -1.15 -0.17 0.00 -0.52 0.00 0.00 55.73 54.15 1pn3 s ARG 62 Cb 0.14 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 33.16 1pn3 s ARG 62 CO 0.20 0.41 1.13 -1.83 0.02 0.00 0.00 175.30 175.23 1pn3 s GLU 63 N -3.59 3.02 0.00 3.54 4.04 -1.26 -4.89 118.70 119.56 1pn3 s GLU 63 Ca 0.31 1.55 0.00 0.00 0.04 0.00 0.00 54.97 56.87 1pn3 s GLU 63 Cb -0.08 -1.97 0.00 0.00 0.02 0.00 0.00 34.13 32.11 1pn3 s GLU 63 CO 0.22 -1.10 0.00 -2.30 -1.84 0.00 0.00 175.26 170.24 1pn3 n PRO 64 N -1.87 0.00 -0.27 -4.83 -0.02 -1.26 0.04 135.00 126.78 1pn3 n PRO 64 Ca 0.11 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.69 1pn3 n PRO 64 Cb 0.51 0.00 0.24 0.00 -0.02 0.00 0.00 33.50 34.24 1pn3 n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pn3 n GLY 65 N -0.56 2.47 3.67 -1.23 0.00 -1.26 -4.98 105.19 103.30 1pn3 n GLY 65 Ca 0.00 -0.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 1pn3 n GLY 65 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pn3 n GLU 66 N 1.18 2.66 -2.13 1.61 2.13 0.11 -4.96 120.64 121.24 1pn3 n GLU 66 Ca 0.19 0.97 -0.32 0.00 0.66 0.00 0.00 57.16 58.66 1pn3 n GLU 66 Cb 0.54 -2.88 -0.01 0.00 0.27 0.00 0.00 31.44 29.36 1pn3 n GLU 66 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1pn3 s LEU 67 N 3.85 3.48 0.59 4.31 1.43 -1.26 -4.75 118.68 126.33 1pn3 s LEU 67 Ca 0.88 1.63 -0.14 0.00 -1.03 0.00 0.00 54.13 55.47 1pn3 s LEU 67 Cb -0.52 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.15 1pn3 s LEU 67 CO 0.43 -0.89 1.03 -2.16 0.23 0.00 0.00 176.35 174.99 1pn3 s PRO 68 N -4.32 3.52 0.33 1.29 0.04 -1.26 -4.92 135.00 129.67 1pn3 s PRO 68 Ca 0.60 0.96 0.13 0.00 0.04 0.00 0.00 61.00 62.73 1pn3 s PRO 68 Cb -0.12 -2.07 0.68 0.00 0.04 0.00 0.00 34.50 33.03 1pn3 s PRO 68 CO 0.39 -0.63 1.27 -2.30 0.04 0.00 0.00 177.00 175.76 1pn3 n PRO 69 N -2.28 0.09 0.00 0.56 -0.02 -1.26 -0.59 135.00 131.50 1pn3 n PRO 69 Ca 0.07 0.57 0.11 0.00 -2.02 0.00 0.00 63.50 62.23 1pn3 n PRO 69 Cb 0.54 -2.11 0.02 0.00 -0.02 0.00 0.00 33.50 31.93 1pn3 n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pn3 n GLY 70 N -1.27 -1.10 3.70 -1.23 0.00 -1.26 -4.87 105.19 99.15 1pn3 n GLY 70 Ca -0.01 -0.50 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 1pn3 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn3 n ALA 71 N -1.54 2.06 -0.35 4.61 0.00 0.24 -4.88 120.51 120.66 1pn3 n ALA 71 Ca 0.04 0.41 -0.02 0.00 0.00 0.00 0.00 53.44 53.88 1pn3 n ALA 71 Cb 0.35 -2.42 0.11 0.00 0.00 0.00 0.00 19.45 17.48 1pn3 n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pn3 h ALA 72 N 5.83 1.21 0.00 0.00 0.00 -1.92 -1.82 119.26 122.56 1pn3 h ALA 72 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1pn3 h ALA 72 Cb 1.23 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1pn3 h ALA 72 CO 0.88 0.55 0.00 0.39 0.00 0.00 0.00 179.25 181.07 1pn3 n GLU 73 N -4.45 0.00 0.00 0.00 4.71 -1.26 -2.45 120.64 117.19 1pn3 n GLU 73 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 1pn3 n GLU 73 Cb 0.04 -1.33 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 1pn3 n GLU 73 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1pn3 n VAL 74 N -0.81 0.16 -0.12 2.62 0.24 -0.68 -4.89 118.33 114.84 1pn3 n VAL 74 Ca 0.00 -0.16 -0.07 0.00 -2.04 0.00 0.00 64.34 62.06 1pn3 n VAL 74 Cb 0.00 0.99 -0.01 0.00 -1.47 0.00 0.00 33.84 33.35 1pn3 n VAL 74 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 1pn3 h VAL 75 N 2.36 0.25 -0.61 3.34 -1.51 -1.54 0.11 116.25 118.65 1pn3 h VAL 75 Ca 0.00 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.58 1pn3 h VAL 75 Cb 0.88 0.25 -0.09 0.00 -2.13 0.00 0.00 31.29 30.20 1pn3 h VAL 75 CO 0.00 0.00 0.14 0.74 -1.23 0.00 0.00 177.57 177.22 1pn3 h THR 76 N -0.24 0.64 -0.51 7.19 2.02 -1.90 0.18 112.91 120.30 1pn3 h THR 76 Ca 0.18 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.21 1pn3 h THR 76 Cb 0.53 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1pn3 h THR 76 CO -0.54 0.05 0.11 -0.08 0.37 0.00 0.00 175.52 175.44 1pn3 h GLU 77 N 0.28 0.78 0.26 6.66 4.22 -1.62 -1.33 114.58 123.82 1pn3 h GLU 77 Ca 0.32 -0.16 -0.01 0.00 0.08 0.00 0.00 59.36 59.59 1pn3 h GLU 77 Cb 0.48 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1pn3 h GLU 77 CO -0.40 0.71 -0.12 0.28 -2.18 0.00 0.00 179.01 177.30 1pn3 h VAL 78 N 0.75 0.80 -0.51 0.32 2.07 0.17 -1.14 116.25 118.71 1pn3 h VAL 78 Ca 0.17 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1pn3 h VAL 78 Cb 0.29 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1pn3 h VAL 78 CO -0.00 0.09 0.29 0.58 0.02 0.00 0.00 177.57 178.54 1pn3 h VAL 79 N -0.55 1.01 0.47 2.57 2.07 -0.63 -2.21 116.25 118.98 1pn3 h VAL 79 Ca -0.04 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1pn3 h VAL 79 Cb 0.41 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1pn3 h VAL 79 CO 0.06 0.10 -0.43 0.00 0.02 0.00 0.00 177.57 177.32 1pn3 h ALA 80 N 1.25 -0.98 -0.62 1.67 0.00 -1.20 -1.99 119.26 117.39 1pn3 h ALA 80 Ca 0.21 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1pn3 h ALA 80 Cb 0.07 0.61 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 1pn3 h ALA 80 CO -0.12 -1.08 -0.39 1.49 0.00 0.00 0.00 179.25 179.14 1pn3 h GLU 81 N -0.90 -0.18 0.22 0.00 4.57 -0.88 -1.04 114.58 116.36 1pn3 h GLU 81 Ca -0.05 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1pn3 h GLU 81 Cb 0.79 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1pn3 h GLU 81 CO -0.04 -0.12 -0.10 -1.49 -1.18 0.00 0.00 179.01 176.07 1pn3 h TRP 82 N -0.18 -0.27 -0.57 0.92 4.06 -1.31 0.23 115.95 118.83 1pn3 h TRP 82 Ca 0.21 -0.01 0.15 0.00 2.06 0.00 0.00 58.89 61.31 1pn3 h TRP 82 Cb 0.56 0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.78 1pn3 h TRP 82 CO -0.70 -0.12 0.40 0.74 -3.56 0.00 0.00 178.44 175.20 1pn3 h PHE 83 N -0.35 0.09 0.12 0.49 -1.00 -1.09 -0.09 116.94 115.10 1pn3 h PHE 83 Ca -0.03 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.55 1pn3 h PHE 83 Cb 0.27 -0.03 0.02 0.00 3.61 0.00 0.00 35.95 39.82 1pn3 h PHE 83 CO -0.04 0.04 -0.85 0.22 -1.61 0.00 0.00 178.31 176.06 1pn3 h ASP 84 N 0.08 0.55 -0.04 2.17 1.82 -0.47 -3.38 116.42 117.14 1pn3 h ASP 84 Ca 0.27 -0.90 0.00 0.00 -0.39 0.00 0.00 57.03 56.02 1pn3 h ASP 84 Cb 0.98 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.81 1pn3 h ASP 84 CO -0.02 1.39 0.00 0.29 -1.61 0.00 0.00 179.24 179.29 1pn3 n LYS 85 N -4.09 2.19 0.10 0.28 5.02 0.74 -4.47 118.16 117.94 1pn3 n LYS 85 Ca -0.13 -1.73 -0.24 0.00 -2.02 0.00 0.00 58.31 54.19 1pn3 n LYS 85 Cb 0.82 -1.47 -0.15 0.00 -0.02 0.00 0.00 35.03 34.21 1pn3 n LYS 85 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1pn3 h VAL 86 N 4.19 1.08 -0.75 -0.18 2.07 -1.21 -3.38 116.25 118.06 1pn3 h VAL 86 Ca 0.00 -2.59 0.15 0.00 0.82 0.00 0.00 66.70 65.08 1pn3 h VAL 86 Cb 0.89 2.88 -0.14 0.00 -1.52 0.00 0.00 31.29 33.40 1pn3 h VAL 86 CO 0.00 0.84 -0.17 -0.65 0.02 0.00 0.00 177.57 177.61 1pn3 h PRO 87 N 0.12 0.01 0.00 1.57 0.11 -1.78 0.55 132.00 132.58 1pn3 h PRO 87 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1pn3 h PRO 87 Cb 2.13 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.24 1pn3 h PRO 87 CO 0.22 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.02 1pn3 n ALA 88 N -3.21 1.77 -0.09 -0.75 0.00 -1.26 -2.10 120.51 114.87 1pn3 n ALA 88 Ca 0.11 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 1pn3 n ALA 88 Cb 0.39 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 18.56 1pn3 n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pn3 n ALA 89 N -1.26 1.65 1.84 0.00 0.00 0.17 -4.46 120.51 118.45 1pn3 n ALA 89 Ca 0.06 -0.79 0.15 0.00 0.00 0.00 0.00 53.44 52.86 1pn3 n ALA 89 Cb 0.10 0.14 0.86 0.00 0.00 0.00 0.00 19.45 20.55 1pn3 n ALA 89 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1pn3 n ILE 90 N -3.37 0.00 -1.76 0.00 3.06 0.11 -4.83 119.36 112.57 1pn3 n ILE 90 Ca -0.35 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.48 1pn3 n ILE 90 Cb 0.82 -0.54 -0.03 0.00 0.54 0.00 0.00 39.64 40.43 1pn3 n ILE 90 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1pn3 s GLU 91 N -2.00 4.14 -1.33 9.51 0.41 -0.89 -2.21 118.70 126.32 1pn3 s GLU 91 Ca 0.44 2.57 -0.07 0.00 -0.41 0.00 0.00 54.97 57.50 1pn3 s GLU 91 Cb 0.20 -3.08 0.01 0.00 -1.78 0.00 0.00 34.13 29.48 1pn3 s GLU 91 CO 0.34 -0.72 1.10 0.41 -0.49 0.00 0.00 175.26 175.89 1pn3 n GLY 92 N 3.80 -0.48 3.43 -1.39 0.00 -1.26 -5.00 105.19 104.29 1pn3 n GLY 92 Ca 0.15 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 1pn3 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn3 h ASP 94 N 5.67 0.24 -5.15 0.00 5.19 -0.05 -3.48 116.42 118.84 1pn3 h ASP 94 Ca -0.41 -0.29 -0.05 0.00 -0.62 0.00 0.00 57.03 55.66 1pn3 h ASP 94 Cb 1.16 -0.08 -0.11 0.00 0.18 0.00 0.00 39.33 40.49 1pn3 h ASP 94 CO 0.51 1.23 -0.09 0.00 -3.12 0.00 0.00 179.24 177.77 1pn3 s ALA 95 N -2.66 -0.59 -0.05 3.45 0.00 -1.23 -3.99 121.76 116.70 1pn3 s ALA 95 Ca -0.04 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1pn3 s ALA 95 Cb 0.08 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.09 1pn3 s ALA 95 CO 0.85 -0.76 -0.06 0.08 0.00 0.00 0.00 175.76 175.87 1pn3 s VAL 96 N -3.91 0.66 -0.18 0.00 1.01 -0.04 -1.86 120.40 116.08 1pn3 s VAL 96 Ca 0.13 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1pn3 s VAL 96 Cb 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.74 1pn3 s VAL 96 CO -0.01 0.25 -0.18 -0.69 0.00 0.00 0.00 175.10 174.47 1pn3 s VAL 97 N 0.78 2.26 0.22 2.92 1.01 -0.45 -0.57 120.40 126.58 1pn3 s VAL 97 Ca -0.12 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.06 1pn3 s VAL 97 Cb -0.14 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1pn3 s VAL 97 CO 0.01 0.53 -0.14 -0.89 0.00 0.00 0.00 175.10 174.61 1pn3 s THR 98 N 1.20 1.80 0.15 3.92 2.01 -0.22 -1.08 115.64 123.41 1pn3 s THR 98 Ca 0.02 -2.22 -0.24 0.00 0.31 0.00 0.00 61.69 59.56 1pn3 s THR 98 Cb -0.14 -2.11 0.07 0.00 0.01 0.00 0.00 72.50 70.33 1pn3 s THR 98 CO -0.09 -0.54 0.70 0.28 -0.69 0.00 0.00 174.62 174.27 1pn3 s THR 99 N -2.93 0.00 0.00 -0.82 -1.32 -1.13 -1.48 115.64 107.96 1pn3 s THR 99 Ca 0.24 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 1pn3 s THR 99 Cb -0.01 -1.23 0.00 0.00 -1.51 0.00 0.00 72.50 69.75 1pn3 s THR 99 CO 0.08 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 1pn3 n GLY 100 N -0.37 -1.79 1.84 6.08 0.00 -1.26 -3.34 105.19 106.35 1pn3 n GLY 100 Ca -0.13 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 1pn3 n GLY 100 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1pn3 n LEU 101 N 0.00 0.46 0.39 0.99 7.94 -0.03 -4.79 117.00 121.96 1pn3 n LEU 101 Ca 0.00 0.59 -0.19 0.00 -1.11 0.00 0.00 56.01 55.30 1pn3 n LEU 101 Cb 0.00 -0.44 -0.09 0.00 0.53 0.00 0.00 43.42 43.41 1pn3 n LEU 101 CO 0.00 -0.55 0.56 0.25 -1.11 0.00 0.00 177.39 176.55 1pn3 h LEU 102 N 2.25 -1.16 -1.16 -1.96 5.85 -1.94 -2.19 115.31 115.01 1pn3 h LEU 102 Ca -0.23 0.07 0.21 0.00 0.84 0.00 0.00 57.88 58.77 1pn3 h LEU 102 Cb 0.69 0.34 -0.10 0.00 0.37 0.00 0.00 40.66 41.96 1pn3 h LEU 102 CO 0.45 -0.69 0.62 1.55 -0.34 0.00 0.00 178.44 180.02 1pn3 h PRO 103 N -1.10 0.62 -0.02 5.25 0.13 -1.96 0.48 132.00 135.39 1pn3 h PRO 103 Ca -0.09 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.88 1pn3 h PRO 103 Cb 0.89 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 1pn3 h PRO 103 CO 0.08 0.41 -0.53 0.00 -0.23 0.00 0.00 178.00 177.73 1pn3 h ALA 104 N 1.64 1.07 -0.06 -0.56 0.00 -1.89 -1.84 119.26 117.62 1pn3 h ALA 104 Ca 0.56 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pn3 h ALA 104 Cb 1.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1pn3 h ALA 104 CO -0.33 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 179.57 1pn3 h ALA 105 N 1.41 0.09 -0.59 0.00 0.00 0.46 -1.46 119.26 119.16 1pn3 h ALA 105 Ca -0.00 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1pn3 h ALA 105 Cb 0.96 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1pn3 h ALA 105 CO 0.07 -0.19 0.25 0.28 0.00 0.00 0.00 179.25 179.66 1pn3 h VAL 106 N -0.23 0.83 0.09 0.00 2.07 -0.53 0.13 116.25 118.61 1pn3 h VAL 106 Ca 0.02 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1pn3 h VAL 106 Cb 0.43 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1pn3 h VAL 106 CO 0.01 0.08 -0.08 0.00 0.02 0.00 0.00 177.57 177.60 1pn3 h ALA 107 N 1.38 -0.16 -0.98 1.67 0.00 -1.23 -1.10 119.26 118.83 1pn3 h ALA 107 Ca 0.29 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1pn3 h ALA 107 Cb 0.31 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1pn3 h ALA 107 CO -0.26 -0.60 0.65 0.28 0.00 0.00 0.00 179.25 179.32 1pn3 h VAL 108 N -0.19 1.21 -0.51 0.00 2.07 -0.48 -2.36 116.25 116.00 1pn3 h VAL 108 Ca 0.00 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 1pn3 h VAL 108 Cb 0.18 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1pn3 h VAL 108 CO -0.02 0.24 -0.02 -0.09 0.02 0.00 0.00 177.57 177.69 1pn3 h ARG 109 N 1.29 0.91 -0.96 1.57 2.43 -0.47 -2.21 114.38 116.94 1pn3 h ARG 109 Ca 0.38 -0.30 0.15 0.00 -0.81 0.00 0.00 59.98 59.39 1pn3 h ARG 109 Cb -0.08 -0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.30 1pn3 h ARG 109 CO -0.10 0.95 0.58 0.77 -1.51 0.00 0.00 179.97 180.66 1pn3 h SER 110 N 0.78 0.80 0.27 -3.80 0.02 -0.71 -0.61 113.55 110.29 1pn3 h SER 110 Ca 0.14 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1pn3 h SER 110 Cb 0.55 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1pn3 h SER 110 CO 0.03 0.37 -0.13 0.24 -1.14 0.00 0.00 176.83 176.20 1pn3 h MET 111 N 0.84 -0.34 -1.34 3.45 2.86 -1.02 -1.06 114.93 118.33 1pn3 h MET 111 Ca 0.51 0.02 0.39 0.00 -2.06 0.00 0.00 59.70 58.56 1pn3 h MET 111 Cb 0.64 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.33 1pn3 h MET 111 CO -0.32 -0.23 1.19 0.00 1.06 0.00 0.00 176.91 178.61 1pn3 h ALA 112 N -1.80 3.24 0.09 6.32 0.00 -1.07 1.34 119.26 127.38 1pn3 h ALA 112 Ca -0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1pn3 h ALA 112 Cb 0.27 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1pn3 h ALA 112 CO 0.06 -1.88 -0.04 1.49 0.00 0.00 0.00 179.25 178.88 1pn3 h GLU 113 N 0.00 -0.12 -0.56 0.00 4.81 -0.63 0.63 114.58 118.71 1pn3 h GLU 113 Ca 0.63 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.98 1pn3 h GLU 113 Cb 3.01 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 32.33 1pn3 h GLU 113 CO -0.01 0.39 0.06 0.87 -0.73 0.00 0.00 179.01 179.60 1pn3 h LYS 114 N -0.74 0.18 0.00 1.92 1.57 0.30 0.24 116.57 120.05 1pn3 h LYS 114 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1pn3 h LYS 114 Cb 0.56 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1pn3 h LYS 114 CO 0.02 0.12 0.00 1.28 -0.57 0.00 0.00 179.45 180.30 1pn3 n LEU 115 N -5.19 0.00 -0.19 2.94 4.77 -0.27 -4.90 117.00 114.16 1pn3 n LEU 115 Ca 0.07 0.44 -0.02 0.00 -0.03 0.00 0.00 56.01 56.47 1pn3 n LEU 115 Cb 0.30 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1pn3 n LEU 115 CO 0.16 -0.08 -0.02 0.61 -1.33 0.00 0.00 177.39 176.73 1pn3 n GLY 116 N 0.93 0.47 3.90 -0.72 0.00 0.86 -5.01 105.19 105.61 1pn3 n GLY 116 Ca 0.08 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1pn3 n GLY 116 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pn3 s ILE 117 N -1.71 4.93 0.30 -0.61 -4.36 0.02 -4.92 121.20 114.85 1pn3 s ILE 117 Ca 0.00 0.26 -0.29 0.00 -0.26 0.00 0.00 60.65 60.36 1pn3 s ILE 117 Cb 0.00 -3.75 -0.10 0.00 1.25 0.00 0.00 42.46 39.86 1pn3 s ILE 117 CO 0.00 -0.46 1.21 -2.16 0.24 0.00 0.00 174.94 173.77 1pn3 s PRO 118 N -3.81 4.49 -0.05 0.37 0.04 -1.26 -4.46 135.00 130.34 1pn3 s PRO 118 Ca 0.47 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.57 1pn3 s PRO 118 Cb -0.10 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 1pn3 s PRO 118 CO 0.32 0.00 -0.19 -0.47 0.04 0.00 0.00 177.00 176.70 1pn3 s TYR 119 N -1.10 1.91 -0.08 0.56 6.14 -1.26 -0.86 117.35 122.65 1pn3 s TYR 119 Ca 0.47 -0.54 0.02 0.00 0.64 0.00 0.00 57.07 57.65 1pn3 s TYR 119 Cb -0.36 -1.27 0.01 0.00 0.42 0.00 0.00 41.96 40.76 1pn3 s TYR 119 CO 0.47 -0.17 -0.12 1.03 0.64 0.00 0.00 175.55 177.39 1pn3 s ARG 120 N -0.05 1.82 0.06 4.97 1.81 0.26 -4.98 118.95 122.85 1pn3 s ARG 120 Ca -0.03 -0.43 0.01 0.00 -1.72 0.00 0.00 55.73 53.55 1pn3 s ARG 120 Cb -0.12 -1.56 -0.04 0.00 -0.45 0.00 0.00 34.95 32.78 1pn3 s ARG 120 CO 0.02 -0.03 0.17 -0.47 -0.68 0.00 0.00 175.30 174.31 1pn3 s TYR 121 N 0.89 3.43 0.00 -0.53 5.04 -1.26 -1.06 117.35 123.86 1pn3 s TYR 121 Ca -0.10 0.21 0.02 0.00 -2.44 0.00 0.00 57.07 54.76 1pn3 s TYR 121 Cb -0.15 -1.73 -0.01 0.00 0.35 0.00 0.00 41.96 40.42 1pn3 s TYR 121 CO 0.01 0.58 -0.06 0.99 -1.34 0.00 0.00 175.55 175.72 1pn3 s THR 122 N -1.45 0.49 0.19 4.34 2.01 -0.55 0.65 115.64 121.31 1pn3 s THR 122 Ca 0.32 -0.40 0.09 0.00 0.31 0.00 0.00 61.69 62.02 1pn3 s THR 122 Cb -0.13 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1pn3 s THR 122 CO 0.25 0.05 -0.11 0.68 -0.69 0.00 0.00 174.62 174.80 1pn3 s VAL 123 N -0.35 3.11 -2.80 3.82 -7.23 0.48 -4.62 120.40 112.82 1pn3 s VAL 123 Ca 0.00 -1.72 0.24 0.00 -1.81 0.00 0.00 61.98 58.69 1pn3 s VAL 123 Cb -0.04 -2.55 0.29 0.00 0.56 0.00 0.00 36.38 34.64 1pn3 s VAL 123 CO -0.00 -0.13 1.32 0.18 -0.31 0.00 0.00 175.10 176.16 1pn3 n LEU 124 N 0.01 3.19 -3.62 1.32 4.77 -1.26 -1.89 117.00 119.52 1pn3 n LEU 124 Ca -0.11 -1.20 -0.16 0.00 -0.03 0.00 0.00 56.01 54.52 1pn3 n LEU 124 Cb 0.56 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 1pn3 n LEU 124 CO 0.35 0.60 0.27 -0.94 -1.33 0.00 0.00 177.39 176.33 1pn3 s SER 125 N -1.80 -0.47 0.39 -1.43 1.04 -1.26 -4.53 113.70 105.64 1pn3 s SER 125 Ca 0.32 0.48 0.11 0.00 0.48 0.00 0.00 55.95 57.34 1pn3 s SER 125 Cb 0.21 0.47 0.90 0.00 0.10 0.00 0.00 66.02 67.70 1pn3 s SER 125 CO 0.31 -0.53 1.94 -0.65 0.98 0.00 0.00 173.24 175.29 1pn3 h PRO 126 N 3.41 0.56 -0.98 4.02 0.11 -1.90 -2.60 132.00 134.63 1pn3 h PRO 126 Ca -0.28 -0.03 0.31 0.00 0.11 0.00 0.00 66.00 66.11 1pn3 h PRO 126 Cb 1.16 -0.13 -0.15 0.00 0.11 0.00 0.00 31.00 31.99 1pn3 h PRO 126 CO 0.39 0.37 0.49 -0.44 -0.21 0.00 0.00 178.00 178.60 1pn3 h ASP 127 N 0.58 0.38 -0.29 -2.05 5.19 -1.96 -0.29 116.42 117.98 1pn3 h ASP 127 Ca 0.34 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.95 1pn3 h ASP 127 Cb 0.54 0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1pn3 h ASP 127 CO -0.12 -0.16 0.00 1.41 -3.12 0.00 0.00 179.24 177.25 1pn3 n HIS 128 N -5.11 0.38 -2.40 4.55 8.25 -0.98 -4.75 115.22 115.17 1pn3 n HIS 128 Ca 0.30 -0.19 -0.41 0.00 -0.26 0.00 0.00 57.72 57.16 1pn3 n HIS 128 Cb 0.94 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.01 1pn3 n HIS 128 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pn3 s LEU 129 N -1.36 4.51 0.60 2.41 1.43 -0.12 -4.89 118.68 121.26 1pn3 s LEU 129 Ca 0.32 2.32 0.40 0.00 -1.03 0.00 0.00 54.13 56.14 1pn3 s LEU 129 Cb 0.18 -3.63 2.09 0.00 0.03 0.00 0.00 46.19 44.86 1pn3 s LEU 129 CO 0.25 -0.25 2.22 -0.65 0.23 0.00 0.00 176.35 178.15 1pn3 h PRO 130 N 4.11 0.00 -0.00 1.29 0.11 -1.90 -0.94 132.00 134.66 1pn3 h PRO 130 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1pn3 h PRO 130 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pn3 h PRO 130 CO 0.69 0.00 -0.00 -1.13 -0.21 0.00 0.00 178.00 177.34 1pn3 n SER 131 N -2.98 0.18 -0.26 -2.05 3.41 -1.26 -2.88 113.62 107.77 1pn3 n SER 131 Ca -0.02 -1.01 0.02 0.00 -0.26 0.00 0.00 58.87 57.60 1pn3 n SER 131 Cb 0.11 -0.01 0.06 0.00 -0.26 0.00 0.00 64.21 64.11 1pn3 n SER 131 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pn3 n GLU 132 N -0.88 2.20 -4.02 4.33 1.02 -0.36 -4.67 120.64 118.26 1pn3 n GLU 132 Ca 0.23 -1.53 -0.32 0.00 -0.02 0.00 0.00 57.16 55.52 1pn3 n GLU 132 Cb 0.15 -1.11 -0.06 0.00 -0.02 0.00 0.00 31.44 30.39 1pn3 n GLU 132 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1pn3 s GLN 133 N -0.86 3.13 0.95 3.49 -1.52 -1.14 -5.00 119.66 118.71 1pn3 s GLN 133 Ca 0.09 -0.52 -0.12 0.00 -1.95 0.00 0.00 55.36 52.86 1pn3 s GLN 133 Cb 0.05 -2.89 0.16 0.00 -0.22 0.00 0.00 33.01 30.12 1pn3 s GLN 133 CO 0.07 0.62 1.10 -1.54 -0.25 0.00 0.00 175.29 175.28 1pn3 s SER 134 N -2.11 3.05 0.30 5.90 1.04 -1.26 -4.83 113.70 115.78 1pn3 s SER 134 Ca 0.28 1.26 0.04 0.00 0.48 0.00 0.00 55.95 58.01 1pn3 s SER 134 Cb -0.12 -1.92 0.47 0.00 0.10 0.00 0.00 66.02 64.54 1pn3 s SER 134 CO 0.20 -2.87 1.75 -0.61 0.98 0.00 0.00 173.24 172.68 1pn3 h GLN 135 N -1.71 0.42 -0.17 4.02 5.75 -1.99 -2.28 115.11 119.15 1pn3 h GLN 135 Ca -0.52 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 57.82 1pn3 h GLN 135 Cb 1.31 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.83 1pn3 h GLN 135 CO 0.57 0.64 0.09 0.00 -2.65 0.00 0.00 178.83 177.48 1pn3 h ALA 136 N 1.37 0.22 -0.56 3.38 0.00 -1.99 -1.24 119.26 120.44 1pn3 h ALA 136 Ca 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1pn3 h ALA 136 Cb 0.63 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1pn3 h ALA 136 CO 0.05 -0.23 0.33 0.93 0.00 0.00 0.00 179.25 180.33 1pn3 h GLU 137 N 0.17 0.63 -0.13 0.00 5.08 -1.86 -0.63 114.58 117.84 1pn3 h GLU 137 Ca 0.06 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1pn3 h GLU 137 Cb 0.09 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1pn3 h GLU 137 CO -0.01 0.42 -0.24 0.00 -1.00 0.00 0.00 179.01 178.18 1pn3 h ARG 138 N 0.65 0.22 -0.20 2.33 3.08 -1.24 -0.74 114.38 118.48 1pn3 h ARG 138 Ca 0.23 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 1pn3 h ARG 138 Cb 0.05 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1pn3 h ARG 138 CO -0.11 0.45 -0.16 -0.44 -1.07 0.00 0.00 179.97 178.64 1pn3 h ASP 139 N 0.20 0.49 -0.95 7.04 3.32 -0.37 -2.45 116.42 123.70 1pn3 h ASP 139 Ca 0.03 -0.45 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 1pn3 h ASP 139 Cb 0.53 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 1pn3 h ASP 139 CO 0.04 0.84 0.59 0.24 -1.72 0.00 0.00 179.24 179.23 1pn3 h MET 140 N 0.15 1.28 0.28 3.56 2.86 -0.79 -0.38 114.93 121.89 1pn3 h MET 140 Ca 0.04 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1pn3 h MET 140 Cb 0.69 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1pn3 h MET 140 CO 0.04 0.88 -0.22 1.88 1.06 0.00 0.00 176.91 180.56 1pn3 h TYR 141 N 1.31 -0.57 -0.83 -0.22 0.99 -1.00 0.38 116.97 117.02 1pn3 h TYR 141 Ca 0.34 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.03 1pn3 h TYR 141 Cb -0.09 0.21 -0.04 0.00 1.00 0.00 0.00 36.73 37.82 1pn3 h TYR 141 CO 0.00 -0.33 0.37 -0.91 -0.00 0.00 0.00 178.16 177.29 1pn3 h ASN 142 N -0.51 1.11 -0.05 3.88 2.35 -1.32 0.70 115.58 121.74 1pn3 h ASN 142 Ca -0.02 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.60 1pn3 h ASN 142 Cb 0.44 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1pn3 h ASN 142 CO -0.01 0.96 -0.06 -0.61 -1.65 0.00 0.00 177.43 176.06 1pn3 h GLN 143 N 1.19 -0.08 -0.35 0.81 4.15 -0.64 -0.82 115.11 119.38 1pn3 h GLN 143 Ca 0.28 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.68 1pn3 h GLN 143 Cb 0.17 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1pn3 h GLN 143 CO -0.03 -0.05 0.11 0.78 -1.93 0.00 0.00 178.83 177.70 1pn3 h GLY 144 N -0.08 0.59 0.96 2.39 0.00 0.22 -0.37 103.07 106.78 1pn3 h GLY 144 Ca 0.04 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.03 1pn3 h GLY 144 CO -0.10 0.33 0.09 0.00 0.00 0.00 0.00 176.54 176.85 1pn3 h ALA 145 N 0.95 0.19 0.00 3.60 0.00 -0.73 0.39 119.26 123.66 1pn3 h ALA 145 Ca 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1pn3 h ALA 145 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1pn3 h ALA 145 CO -0.00 -0.34 -0.00 -0.44 0.00 0.00 0.00 179.25 178.46 1pn3 h ASP 146 N 0.18 -0.01 -0.08 0.00 5.19 -1.11 0.21 116.42 120.82 1pn3 h ASP 146 Ca 0.06 -0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1pn3 h ASP 146 Cb -0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1pn3 h ASP 146 CO -0.03 0.06 -0.01 -0.09 -3.12 0.00 0.00 179.24 176.05 1pn3 h ARG 147 N -0.07 0.25 0.01 3.56 2.43 -0.91 0.67 114.38 120.33 1pn3 h ARG 147 Ca -0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1pn3 h ARG 147 Cb 0.07 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1pn3 h ARG 147 CO 0.00 0.29 -0.01 1.25 -1.51 0.00 0.00 179.97 179.99 1pn3 h LEU 148 N 0.25 -0.02 -3.00 3.80 5.85 0.36 -3.43 115.31 119.13 1pn3 h LEU 148 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1pn3 h LEU 148 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1pn3 h LEU 148 CO 0.00 0.17 0.00 2.22 -0.34 0.00 0.00 178.44 180.50 1pn3 n PHE 149 N -3.06 0.06 -0.03 1.25 -1.74 0.70 -4.83 117.46 109.81 1pn3 n PHE 149 Ca -0.00 -0.65 -0.14 0.00 -0.56 0.00 0.00 57.45 56.10 1pn3 n PHE 149 Cb 0.01 -0.08 -0.09 0.00 1.52 0.00 0.00 39.48 40.83 1pn3 n PHE 149 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 1pn3 h GLY 150 N 0.20 -1.12 0.54 4.97 0.00 -0.58 -2.42 103.07 104.65 1pn3 h GLY 150 Ca 0.00 0.69 -0.00 0.00 0.00 0.00 0.00 47.33 48.02 1pn3 h GLY 150 CO 0.01 -0.22 -0.39 -0.55 0.00 0.00 0.00 176.54 175.39 1pn3 h ASP 151 N -0.51 -1.08 -1.23 0.19 5.19 -1.88 -1.74 116.42 115.35 1pn3 h ASP 151 Ca 0.04 0.10 0.35 0.00 -0.62 0.00 0.00 57.03 56.90 1pn3 h ASP 151 Cb 0.61 0.37 -0.07 0.00 0.18 0.00 0.00 39.33 40.43 1pn3 h ASP 151 CO -0.43 -0.53 0.86 0.00 -3.12 0.00 0.00 179.24 176.02 1pn3 h ALA 152 N -0.35 2.95 0.06 3.45 0.00 -1.89 0.01 119.26 123.48 1pn3 h ALA 152 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pn3 h ALA 152 Cb 0.71 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1pn3 h ALA 152 CO -0.10 -1.35 -0.03 0.28 0.00 0.00 0.00 179.25 178.06 1pn3 h VAL 153 N 0.10 1.23 -0.99 0.00 2.07 -0.84 -2.66 116.25 115.15 1pn3 h VAL 153 Ca 0.62 -1.49 0.11 0.00 0.82 0.00 0.00 66.70 66.77 1pn3 h VAL 153 Cb 2.24 2.13 -0.08 0.00 -1.52 0.00 0.00 31.29 34.06 1pn3 h VAL 153 CO -0.11 0.34 0.63 0.78 0.02 0.00 0.00 177.57 179.23 1pn3 h ASN 154 N -0.81 0.93 0.02 0.57 2.35 -0.33 -0.27 115.58 118.04 1pn3 h ASN 154 Ca -0.01 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1pn3 h ASN 154 Cb 0.63 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 1pn3 h ASN 154 CO 0.01 0.51 -0.01 -1.28 -1.65 0.00 0.00 177.43 175.02 1pn3 h SER 155 N 1.01 -0.03 -0.00 5.81 0.87 -1.10 0.22 113.55 120.31 1pn3 h SER 155 Ca 0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1pn3 h SER 155 Cb 0.44 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1pn3 h SER 155 CO -0.24 -0.02 0.31 0.45 -0.53 0.00 0.00 176.83 176.80 1pn3 h HIS 156 N -0.03 0.00 0.10 2.24 3.86 -1.31 0.13 115.15 120.14 1pn3 h HIS 156 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1pn3 h HIS 156 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1pn3 h HIS 156 CO 0.06 0.00 -0.05 0.00 0.86 0.00 0.00 177.93 178.80 1pn3 h ARG 157 N 0.00 -0.13 -0.99 2.45 3.08 -0.41 -3.24 114.38 115.14 1pn3 h ARG 157 Ca 0.00 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1pn3 h ARG 157 Cb 0.63 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.65 1pn3 h ARG 157 CO -0.00 0.39 0.64 0.00 -1.07 0.00 0.00 179.97 179.92 1pn3 h ALA 158 N -0.18 1.35 0.00 0.04 0.00 0.20 -0.16 119.26 120.50 1pn3 h ALA 158 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pn3 h ALA 158 Cb 0.57 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1pn3 h ALA 158 CO 0.02 0.44 0.00 0.43 0.00 0.00 0.00 179.25 180.15 1pn3 n SER 159 N -4.51 0.00 -0.60 0.00 7.64 -0.09 -0.86 113.62 115.20 1pn3 n SER 159 Ca 0.15 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1pn3 n SER 159 Cb 0.17 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1pn3 n SER 159 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1pn3 n ILE 160 N -0.53 0.00 -2.53 0.44 -5.35 -0.37 -5.01 119.36 106.01 1pn3 n ILE 160 Ca 0.00 -0.09 -0.09 0.00 -0.27 0.00 0.00 62.75 62.30 1pn3 n ILE 160 Cb 0.00 0.44 0.01 0.00 -1.74 0.00 0.00 39.64 38.35 1pn3 n ILE 160 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pn3 n GLY 161 N 0.04 0.16 3.30 3.28 0.00 -0.04 -5.03 105.19 106.91 1pn3 n GLY 161 Ca -0.00 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 1pn3 n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pn3 s LEU 162 N -3.02 2.15 0.77 0.99 1.43 -0.22 -4.98 118.68 115.81 1pn3 s LEU 162 Ca 0.11 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1pn3 s LEU 162 Cb -0.05 -1.39 0.06 0.00 0.03 0.00 0.00 46.19 44.84 1pn3 s LEU 162 CO 0.14 0.27 1.09 -2.16 0.23 0.00 0.00 176.35 175.92 1pn3 s PRO 163 N -0.33 2.27 0.84 1.29 0.04 -1.26 -2.84 135.00 135.01 1pn3 s PRO 163 Ca 0.02 1.12 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 1pn3 s PRO 163 Cb -0.12 -1.90 0.10 0.00 0.04 0.00 0.00 34.50 32.61 1pn3 s PRO 163 CO 0.02 -1.62 1.09 -1.25 0.04 0.00 0.00 177.00 175.28 1pn3 s PRO 164 N -4.93 1.70 -0.00 0.56 0.04 -1.26 -4.84 135.00 126.27 1pn3 s PRO 164 Ca 0.61 0.90 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 1pn3 s PRO 164 Cb -0.17 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 1pn3 s PRO 164 CO 0.56 -1.96 0.02 0.14 0.04 0.00 0.00 177.00 175.80 1pn3 s VAL 165 N -2.96 0.04 0.54 -0.36 -7.23 -1.26 -5.11 120.40 104.06 1pn3 s VAL 165 Ca 0.62 -0.31 0.02 0.00 -1.81 0.00 0.00 61.98 60.50 1pn3 s VAL 165 Cb -0.17 -0.13 0.01 0.00 0.56 0.00 0.00 36.38 36.65 1pn3 s VAL 165 CO 0.56 -0.17 0.12 -1.83 -0.31 0.00 0.00 175.10 173.48 1pn3 s GLU 166 N -0.50 2.23 -1.04 4.82 1.03 -1.26 -4.82 118.70 119.16 1pn3 s GLU 166 Ca -0.06 -2.34 -0.12 0.00 0.03 0.00 0.00 54.97 52.49 1pn3 s GLU 166 Cb -0.04 -1.68 -0.03 0.00 -0.80 0.00 0.00 34.13 31.58 1pn3 s GLU 166 CO -0.00 -0.49 0.82 0.72 -1.33 0.00 0.00 175.26 174.98 1pn3 n HIS 167 N -1.46 -2.26 0.27 4.83 8.25 -1.26 -4.75 115.22 118.84 1pn3 n HIS 167 Ca -0.16 0.71 0.14 0.00 -0.26 0.00 0.00 57.72 58.16 1pn3 n HIS 167 Cb 0.66 -3.74 0.75 0.00 1.12 0.00 0.00 29.99 28.78 1pn3 n HIS 167 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1pn3 h LEU 168 N -1.20 0.00 0.13 2.41 3.38 -1.88 -1.48 115.31 116.67 1pn3 h LEU 168 Ca -0.56 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1pn3 h LEU 168 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1pn3 h LEU 168 CO 0.44 0.10 -0.06 0.22 0.09 0.00 0.00 178.44 179.22 1pn3 h TYR 169 N 0.00 -0.16 -0.70 1.13 -0.00 -1.86 0.29 116.97 115.67 1pn3 h TYR 169 Ca -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.73 1pn3 h TYR 169 Cb 0.36 0.05 -0.03 0.00 -0.00 0.00 0.00 36.73 37.11 1pn3 h TYR 169 CO 0.00 0.19 0.47 -0.44 -0.00 0.00 0.00 178.16 178.37 1pn3 h ASP 170 N -0.53 0.81 0.78 -2.11 3.32 -1.86 -1.19 116.42 115.65 1pn3 h ASP 170 Ca -0.02 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1pn3 h ASP 170 Cb 0.42 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.77 1pn3 h ASP 170 CO 0.03 0.59 -0.37 0.22 -1.72 0.00 0.00 179.24 177.98 1pn3 h TYR 171 N 0.95 -0.97 0.00 4.55 3.20 -1.15 0.37 116.97 123.93 1pn3 h TYR 171 Ca 0.26 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1pn3 h TYR 171 Cb -0.11 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 1pn3 h TYR 171 CO -0.02 -0.59 -0.07 0.78 -1.64 0.00 0.00 178.16 176.62 1pn3 h GLY 172 N -1.13 0.00 0.36 1.82 0.00 -0.36 -2.97 103.07 100.80 1pn3 h GLY 172 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.91 1pn3 h GLY 172 CO 0.18 0.00 -2.09 -1.72 0.00 0.00 0.00 176.54 172.90 1pn3 n TYR 173 N -3.71 0.37 0.00 5.60 4.02 -0.46 -4.80 117.16 118.19 1pn3 n TYR 173 Ca -0.02 0.13 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1pn3 n TYR 173 Cb 0.17 -1.03 0.00 0.00 -0.02 0.00 0.00 39.34 38.46 1pn3 n TYR 173 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1pn3 n THR 174 N -2.82 0.00 -0.21 -0.72 -2.24 0.13 -3.73 114.28 104.69 1pn3 n THR 174 Ca -0.25 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.51 1pn3 n THR 174 Cb 1.07 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 69.39 1pn3 n THR 174 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1pn3 h ASP 175 N 0.00 0.47 -2.63 3.42 3.45 -1.91 -3.37 116.42 115.85 1pn3 h ASP 175 Ca 0.00 0.04 -0.55 0.00 0.43 0.00 0.00 57.03 56.95 1pn3 h ASP 175 Cb 0.00 -0.05 -0.39 0.00 -0.56 0.00 0.00 39.33 38.33 1pn3 h ASP 175 CO 0.00 0.30 -0.82 -1.10 -1.57 0.00 0.00 179.24 176.06 1pn3 s GLN 176 N -6.10 0.41 0.59 3.56 -1.52 -1.26 -5.02 119.66 110.33 1pn3 s GLN 176 Ca -0.13 -1.00 -0.16 0.00 -1.95 0.00 0.00 55.36 52.12 1pn3 s GLN 176 Cb 0.16 -1.21 -0.04 0.00 -0.22 0.00 0.00 33.01 31.70 1pn3 s GLN 176 CO 0.75 -1.14 1.06 -1.25 -0.25 0.00 0.00 175.29 174.46 1pn3 s PRO 177 N 1.48 3.33 0.56 2.91 0.04 -1.24 -4.88 135.00 137.19 1pn3 s PRO 177 Ca 0.15 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.22 1pn3 s PRO 177 Cb -0.20 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1pn3 s PRO 177 CO -0.13 -0.80 1.06 -1.58 0.04 0.00 0.00 177.00 175.58 1pn3 s TRP 178 N -2.45 2.98 -0.36 0.56 0.51 0.21 -4.51 118.94 115.86 1pn3 s TRP 178 Ca 0.63 1.53 0.01 0.00 -2.12 0.00 0.00 56.10 56.16 1pn3 s TRP 178 Cb -0.16 -3.04 0.10 0.00 -0.81 0.00 0.00 33.47 29.57 1pn3 s TRP 178 CO 0.37 -1.06 0.10 -1.17 -0.51 0.00 0.00 176.95 174.68 1pn3 s LEU 179 N -4.20 4.88 -1.29 2.99 2.96 -0.77 -0.39 118.68 122.87 1pn3 s LEU 179 Ca 0.65 -2.05 -0.07 0.00 -0.22 0.00 0.00 54.13 52.44 1pn3 s LEU 179 Cb -0.16 -1.71 0.15 0.00 0.50 0.00 0.00 46.19 44.97 1pn3 s LEU 179 CO 0.32 -0.43 2.13 0.00 -1.32 0.00 0.00 176.35 177.05 1pn3 n ALA 180 N 4.40 6.14 -2.28 5.97 0.00 -0.79 -2.43 120.51 131.52 1pn3 n ALA 180 Ca 0.00 -4.22 -0.15 0.00 0.00 0.00 0.00 53.44 49.08 1pn3 n ALA 180 Cb 0.42 -2.84 -0.10 0.00 0.00 0.00 0.00 19.45 16.93 1pn3 n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pn3 s ALA 181 N -0.60 1.55 0.03 0.00 0.00 -1.23 -4.16 121.76 117.35 1pn3 s ALA 181 Ca 0.47 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 50.46 1pn3 s ALA 181 Cb 0.14 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1pn3 s ALA 181 CO -0.05 -0.30 0.99 0.34 0.00 0.00 0.00 175.76 176.74 1pn3 s ASP 182 N -3.23 7.39 0.31 0.00 -1.08 -1.26 -2.81 116.67 115.98 1pn3 s ASP 182 Ca 0.26 1.71 0.05 0.00 -0.52 0.00 0.00 52.55 54.06 1pn3 s ASP 182 Cb 0.06 -2.57 0.71 0.00 -1.46 0.00 0.00 42.92 39.65 1pn3 s ASP 182 CO 0.06 -0.22 1.81 -0.65 0.52 0.00 0.00 175.17 176.69 1pn3 h PRO 183 N 6.50 0.79 0.01 4.34 0.11 -1.93 0.83 132.00 142.64 1pn3 h PRO 183 Ca -0.41 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1pn3 h PRO 183 Cb 1.22 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1pn3 h PRO 183 CO 0.74 0.52 -0.04 0.28 -0.21 0.00 0.00 178.00 179.30 1pn3 h VAL 184 N 0.81 1.75 -0.01 3.15 2.07 -1.92 -2.96 116.25 119.15 1pn3 h VAL 184 Ca 0.54 -2.26 -0.18 0.00 0.82 0.00 0.00 66.70 65.62 1pn3 h VAL 184 Cb 0.78 3.29 0.01 0.00 -1.52 0.00 0.00 31.29 33.85 1pn3 h VAL 184 CO -0.32 0.59 -0.70 0.25 0.02 0.00 0.00 177.57 177.41 1pn3 h LEU 185 N -0.93 0.62 -6.15 2.57 5.85 -1.95 -3.38 115.31 111.94 1pn3 h LEU 185 Ca -0.01 -0.75 -0.60 0.00 0.84 0.00 0.00 57.88 57.37 1pn3 h LEU 185 Cb 0.99 -0.19 -0.42 0.00 0.37 0.00 0.00 40.66 41.41 1pn3 h LEU 185 CO 0.01 1.29 -0.61 -1.20 -0.34 0.00 0.00 178.44 177.58 1pn3 n SER 186 N -4.14 3.66 -4.76 1.25 7.64 0.29 -5.00 113.62 112.55 1pn3 n SER 186 Ca -0.10 -3.43 -0.37 0.00 1.01 0.00 0.00 58.87 55.98 1pn3 n SER 186 Cb 0.72 -0.67 0.01 0.00 -1.01 0.00 0.00 64.21 63.26 1pn3 n SER 186 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1pn3 s PRO 187 N -2.47 3.42 0.92 1.43 0.04 -1.12 -4.41 135.00 132.82 1pn3 s PRO 187 Ca 0.40 1.86 -0.12 0.00 0.04 0.00 0.00 61.00 63.18 1pn3 s PRO 187 Cb 0.16 -2.23 0.14 0.00 0.04 0.00 0.00 34.50 32.61 1pn3 s PRO 187 CO -0.02 -0.85 1.10 -0.51 0.04 0.00 0.00 177.00 176.76 1pn3 s LEU 188 N -3.44 2.03 0.26 -3.56 1.43 -1.26 -4.88 118.68 109.26 1pn3 s LEU 188 Ca 0.69 1.30 0.11 0.00 -1.03 0.00 0.00 54.13 55.20 1pn3 s LEU 188 Cb -0.31 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.22 1pn3 s LEU 188 CO 0.36 -2.73 -0.15 -0.13 0.23 0.00 0.00 176.35 173.94 1pn3 s ARG 189 N -5.01 1.85 0.62 1.70 0.52 -1.26 -5.00 118.95 112.37 1pn3 s ARG 189 Ca 0.64 -1.62 0.25 0.00 -0.52 0.00 0.00 55.73 54.48 1pn3 s ARG 189 Cb -0.17 -1.91 1.21 0.00 0.52 0.00 0.00 34.95 34.60 1pn3 s ARG 189 CO 0.56 0.35 1.65 -1.00 0.02 0.00 0.00 175.30 176.89 1pn3 h PRO 190 N 2.31 0.00 0.00 3.54 0.13 -2.01 0.51 132.00 136.48 1pn3 h PRO 190 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1pn3 h PRO 190 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1pn3 h PRO 190 CO 0.58 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.60 1pn3 n THR 191 N -3.30 0.33 -1.49 1.56 -2.24 -1.26 -3.59 114.28 104.30 1pn3 n THR 191 Ca 0.09 -0.08 0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1pn3 n THR 191 Cb 0.87 -0.60 0.20 0.00 -2.10 0.00 0.00 70.33 68.71 1pn3 n THR 191 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1pn3 n ASP 192 N -1.83 2.18 -0.19 3.42 8.00 0.18 -4.82 116.55 123.49 1pn3 n ASP 192 Ca 0.06 -3.79 0.16 0.00 0.71 0.00 0.00 54.79 51.94 1pn3 n ASP 192 Cb 0.36 -0.58 0.51 0.00 -0.02 0.00 0.00 41.12 41.39 1pn3 n ASP 192 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1pn3 h LEU 193 N 0.98 0.39 -0.21 0.64 5.85 -1.61 -0.98 115.31 120.37 1pn3 h LEU 193 Ca 0.12 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1pn3 h LEU 193 Cb 1.35 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1pn3 h LEU 193 CO 0.21 0.19 0.00 0.61 -0.34 0.00 0.00 178.44 179.11 1pn3 n GLY 194 N -1.52 -0.74 3.87 3.75 0.00 -1.26 -4.88 105.19 104.40 1pn3 n GLY 194 Ca 0.16 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1pn3 n GLY 194 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pn3 s THR 195 N -1.94 4.72 -0.28 2.61 2.01 -0.37 -4.97 115.64 117.41 1pn3 s THR 195 Ca 0.19 0.76 -0.04 0.00 0.31 0.00 0.00 61.69 62.91 1pn3 s THR 195 Cb 0.09 -3.76 0.03 0.00 0.01 0.00 0.00 72.50 68.87 1pn3 s THR 195 CO 0.15 -0.68 0.01 -0.69 -0.69 0.00 0.00 174.62 172.72 1pn3 s VAL 196 N -2.58 3.32 -0.44 3.82 1.01 -1.26 -5.05 120.40 119.22 1pn3 s VAL 196 Ca 0.53 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 1pn3 s VAL 196 Cb -0.10 -2.77 0.08 0.00 0.00 0.00 0.00 36.38 33.59 1pn3 s VAL 196 CO 0.36 0.05 0.32 -1.58 0.00 0.00 0.00 175.10 174.24 1pn3 s GLN 197 N 1.37 2.75 0.37 2.72 0.74 -1.26 -1.85 119.66 124.50 1pn3 s GLN 197 Ca -0.01 -1.43 0.20 0.00 0.05 0.00 0.00 55.36 54.17 1pn3 s GLN 197 Cb -0.18 -3.93 0.53 0.00 1.10 0.00 0.00 33.01 30.54 1pn3 s GLN 197 CO -0.01 -0.99 1.66 1.79 -0.55 0.00 0.00 175.29 177.18 1pn3 h THR 198 N 5.95 0.70 0.00 -0.34 1.35 -1.74 -3.48 112.91 115.35 1pn3 h THR 198 Ca -0.25 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 1pn3 h THR 198 Cb 1.09 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1pn3 h THR 198 CO 0.81 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 177.03 1pn3 n GLY 199 N 0.61 2.48 3.76 5.82 0.00 -1.12 -3.86 105.19 112.88 1pn3 n GLY 199 Ca 0.01 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 1pn3 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn3 s ALA 200 N -2.76 2.74 -0.55 4.61 0.00 -1.17 -3.50 121.76 121.13 1pn3 s ALA 200 Ca 0.00 0.98 -0.15 0.00 0.00 0.00 0.00 51.96 52.79 1pn3 s ALA 200 Cb 0.00 -3.42 0.13 0.00 0.00 0.00 0.00 23.12 19.83 1pn3 s ALA 200 CO 0.00 -0.95 0.49 -1.58 0.00 0.00 0.00 175.76 173.73 1pn3 s TRP 201 N -1.59 3.30 -0.15 0.00 0.51 -1.26 -3.86 118.94 115.89 1pn3 s TRP 201 Ca 0.72 -1.41 -0.01 0.00 -2.12 0.00 0.00 56.10 53.28 1pn3 s TRP 201 Cb -0.30 -3.76 -0.01 0.00 -0.81 0.00 0.00 33.47 28.60 1pn3 s TRP 201 CO 0.34 -1.01 -0.12 0.42 -0.51 0.00 0.00 176.95 176.06 1pn3 s ILE 202 N 1.49 2.99 -0.24 2.03 -1.09 -1.26 -4.32 121.20 120.80 1pn3 s ILE 202 Ca 0.04 -0.67 -0.29 0.00 -2.23 0.00 0.00 60.65 57.50 1pn3 s ILE 202 Cb -0.28 -2.27 -0.00 0.00 -1.58 0.00 0.00 42.46 38.32 1pn3 s ILE 202 CO 0.02 0.51 1.28 -0.22 -1.23 0.00 0.00 174.94 175.30 1pn3 s LEU 203 N 0.61 4.01 0.35 2.97 2.96 -1.26 -4.97 118.68 123.36 1pn3 s LEU 203 Ca -0.07 1.42 -0.28 0.00 -0.22 0.00 0.00 54.13 54.98 1pn3 s LEU 203 Cb -0.15 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.88 1pn3 s LEU 203 CO 0.03 -0.93 1.35 -0.81 -1.32 0.00 0.00 176.35 174.67 1pn3 n PRO 204 N 6.99 2.30 -3.88 0.98 -0.04 -1.26 -4.96 135.00 135.12 1pn3 n PRO 204 Ca 0.14 0.81 -0.35 0.00 -0.04 0.00 0.00 63.50 64.06 1pn3 n PRO 204 Cb 0.46 -2.43 -0.13 0.00 -0.04 0.00 0.00 33.50 31.35 1pn3 n PRO 204 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pn3 s ASP 205 N -0.26 4.99 -0.01 3.54 3.68 -1.26 -4.96 116.67 122.39 1pn3 s ASP 205 Ca 0.55 -1.64 0.22 0.00 2.13 0.00 0.00 52.55 53.81 1pn3 s ASP 205 Cb -0.54 -1.74 0.66 0.00 -1.45 0.00 0.00 42.92 39.85 1pn3 s ASP 205 CO 0.63 -0.37 1.55 -0.62 0.13 0.00 0.00 175.17 176.49 1pn3 n GLU 206 N 4.56 2.84 -2.18 4.34 1.02 -1.26 -4.80 120.64 125.15 1pn3 n GLU 206 Ca -0.07 -2.69 -0.41 0.00 -0.02 0.00 0.00 57.16 53.97 1pn3 n GLU 206 Cb 0.42 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 1pn3 n GLU 206 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1pn3 s ARG 207 N -1.08 4.40 0.61 3.49 0.52 -1.26 -5.02 118.95 120.61 1pn3 s ARG 207 Ca 0.49 2.14 -0.05 0.00 -0.52 0.00 0.00 55.73 57.80 1pn3 s ARG 207 Cb 0.26 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.67 1pn3 s ARG 207 CO 0.33 -0.12 0.90 -1.25 0.02 0.00 0.00 175.30 175.18 1pn3 s PRO 208 N -1.74 2.63 0.35 3.54 0.04 -1.26 -4.81 135.00 133.74 1pn3 s PRO 208 Ca 0.48 -0.25 -0.25 0.00 0.04 0.00 0.00 61.00 61.02 1pn3 s PRO 208 Cb -0.38 -2.29 -0.10 0.00 0.04 0.00 0.00 34.50 31.76 1pn3 s PRO 208 CO 0.51 -0.85 0.96 -0.51 0.04 0.00 0.00 177.00 177.15 1pn3 s LEU 209 N -5.01 4.26 0.77 -3.56 1.43 -1.26 -4.87 118.68 110.44 1pn3 s LEU 209 Ca 0.56 1.86 -0.15 0.00 -1.03 0.00 0.00 54.13 55.37 1pn3 s LEU 209 Cb -0.11 -4.10 0.05 0.00 0.03 0.00 0.00 46.19 42.06 1pn3 s LEU 209 CO 0.43 -0.17 1.12 -1.54 0.23 0.00 0.00 176.35 176.43 1pn3 n SER 210 N 0.32 0.90 -0.26 2.29 3.41 -1.26 -4.74 113.62 114.27 1pn3 n SER 210 Ca 0.03 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 1pn3 n SER 210 Cb 0.50 -1.48 0.13 0.00 -0.26 0.00 0.00 64.21 63.10 1pn3 n SER 210 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pn3 h ALA 211 N -0.58 1.03 -0.34 7.33 0.00 -1.99 -0.99 119.26 123.72 1pn3 h ALA 211 Ca -0.47 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1pn3 h ALA 211 Cb 1.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1pn3 h ALA 211 CO 0.47 0.09 0.18 0.93 0.00 0.00 0.00 179.25 180.92 1pn3 h GLU 212 N 0.76 0.37 -0.81 0.00 3.07 -1.99 0.11 114.58 116.09 1pn3 h GLU 212 Ca 0.34 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.20 1pn3 h GLU 212 Cb 0.25 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.03 1pn3 h GLU 212 CO -0.21 0.24 0.53 1.25 -1.40 0.00 0.00 179.01 179.42 1pn3 h LEU 213 N 0.38 0.90 -0.64 1.33 5.85 -1.75 0.34 115.31 121.72 1pn3 h LEU 213 Ca 0.14 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1pn3 h LEU 213 Cb 0.03 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1pn3 h LEU 213 CO -0.08 0.64 0.39 -0.33 -0.34 0.00 0.00 178.44 178.72 1pn3 h GLU 214 N 1.06 0.86 -0.49 1.25 4.39 -0.45 0.95 114.58 122.15 1pn3 h GLU 214 Ca 0.31 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1pn3 h GLU 214 Cb -0.07 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 1pn3 h GLU 214 CO -0.09 0.60 0.27 0.00 -1.16 0.00 0.00 179.01 178.64 1pn3 h ALA 215 N 1.21 0.63 0.31 3.43 0.00 0.03 -1.19 119.26 123.68 1pn3 h ALA 215 Ca 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1pn3 h ALA 215 Cb -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1pn3 h ALA 215 CO -0.04 0.14 -0.15 0.35 0.00 0.00 0.00 179.25 179.54 1pn3 h PHE 216 N 0.65 -0.39 -0.93 0.00 3.57 -0.50 0.37 116.94 119.70 1pn3 h PHE 216 Ca 0.17 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.84 1pn3 h PHE 216 Cb 0.04 0.13 -0.10 0.00 2.79 0.00 0.00 35.95 38.80 1pn3 h PHE 216 CO -0.02 -0.22 0.51 -0.07 -2.23 0.00 0.00 178.31 176.28 1pn3 h LEU 217 N -0.46 0.62 0.01 0.59 3.38 -0.58 -1.16 115.31 117.71 1pn3 h LEU 217 Ca -0.04 0.10 -0.23 0.00 0.09 0.00 0.00 57.88 57.81 1pn3 h LEU 217 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1pn3 h LEU 217 CO 0.07 0.21 -1.05 0.00 0.09 0.00 0.00 178.44 177.76 1pn3 h ALA 218 N 1.62 0.30 0.00 1.53 0.00 -0.96 -3.32 119.26 118.43 1pn3 h ALA 218 Ca 0.53 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1pn3 h ALA 218 Cb 0.83 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1pn3 h ALA 218 CO -0.40 1.16 0.13 0.00 0.00 0.00 0.00 179.25 180.14 1pn3 n ALA 219 N -2.40 0.74 -3.00 0.00 0.00 0.13 -4.83 120.51 111.14 1pn3 n ALA 219 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1pn3 n ALA 219 Cb 0.95 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1pn3 n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pn3 n GLY 220 N -1.30 0.88 3.78 0.00 0.00 -1.24 -5.07 105.19 102.25 1pn3 n GLY 220 Ca 0.00 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1pn3 n GLY 220 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pn3 s SER 221 N 2.00 5.94 -0.16 1.61 1.04 -1.26 -4.93 113.70 117.94 1pn3 s SER 221 Ca 0.00 2.04 -0.38 0.00 0.48 0.00 0.00 55.95 58.09 1pn3 s SER 221 Cb 0.00 -2.57 -0.15 0.00 0.10 0.00 0.00 66.02 63.40 1pn3 s SER 221 CO 0.00 -1.06 1.71 0.41 0.98 0.00 0.00 173.24 175.28 1pn3 n THR 222 N -1.27 0.31 -2.14 2.02 -1.04 -1.26 -4.73 114.28 106.17 1pn3 n THR 222 Ca 0.10 -0.06 -0.28 0.00 -2.04 0.00 0.00 64.05 61.78 1pn3 n THR 222 Cb 0.52 -1.33 0.15 0.00 -1.82 0.00 0.00 70.33 67.85 1pn3 n THR 222 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1pn3 s PRO 223 N 3.08 1.13 -0.07 -2.82 0.04 -1.26 -4.50 135.00 130.59 1pn3 s PRO 223 Ca 0.94 -0.57 0.04 0.00 0.04 0.00 0.00 61.00 61.45 1pn3 s PRO 223 Cb -0.95 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.56 1pn3 s PRO 223 CO 0.58 -2.00 -0.19 0.08 0.04 0.00 0.00 177.00 175.51 1pn3 s VAL 224 N -3.61 2.59 0.05 -0.36 1.01 0.41 -1.30 120.40 119.19 1pn3 s VAL 224 Ca 0.70 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 1pn3 s VAL 224 Cb -0.05 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1pn3 s VAL 224 CO 0.50 0.56 0.84 -0.47 0.00 0.00 0.00 175.10 176.53 1pn3 s TYR 225 N -0.20 3.73 -0.11 5.22 6.14 -0.71 -1.67 117.35 129.76 1pn3 s TYR 225 Ca -0.01 1.57 -0.00 0.00 0.64 0.00 0.00 57.07 59.26 1pn3 s TYR 225 Cb -0.13 -2.92 0.02 0.00 0.42 0.00 0.00 41.96 39.35 1pn3 s TYR 225 CO 0.03 0.21 -0.08 0.08 0.64 0.00 0.00 175.55 176.43 1pn3 s VAL 226 N 0.15 1.06 -0.28 3.14 1.01 -0.73 -0.26 120.40 124.49 1pn3 s VAL 226 Ca 0.42 -0.32 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 1pn3 s VAL 226 Cb -0.21 -1.06 0.10 0.00 0.00 0.00 0.00 36.38 35.21 1pn3 s VAL 226 CO 0.25 0.37 0.83 -0.83 0.00 0.00 0.00 175.10 175.72 1pn3 s GLY 227 N 1.59 -0.37 -0.19 4.51 0.00 -0.79 -1.25 107.32 110.82 1pn3 s GLY 227 Ca 0.03 2.58 0.13 0.00 0.00 0.00 0.00 44.72 47.45 1pn3 s GLY 227 CO -0.07 2.22 1.21 0.69 0.00 0.00 0.00 173.10 177.15 1pn3 n PHE 228 N 3.46 0.00 -2.79 1.90 3.72 -1.26 -3.63 117.46 118.85 1pn3 n PHE 228 Ca -0.17 -1.39 0.00 0.00 -0.05 0.00 0.00 57.45 55.84 1pn3 n PHE 228 Cb 0.57 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 1pn3 n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pn3 n GLY 229 N -0.96 -2.16 0.22 1.37 0.00 -1.26 -4.43 105.19 97.96 1pn3 n GLY 229 Ca 0.18 -1.47 0.01 0.00 0.00 0.00 0.00 46.02 44.73 1pn3 n GLY 229 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pn3 h SER 230 N 0.00 0.20 -0.57 1.61 0.02 -1.99 -3.47 113.55 109.35 1pn3 h SER 230 Ca 0.00 -0.06 -0.39 0.00 -0.84 0.00 0.00 61.79 60.50 1pn3 h SER 230 Cb 0.00 -0.06 0.06 0.00 0.14 0.00 0.00 62.40 62.54 1pn3 h SER 230 CO 0.00 0.48 -0.23 -0.24 -1.14 0.00 0.00 176.83 175.70 1pn3 n SER 231 N -4.15 -0.57 -0.29 3.07 2.88 -1.26 -4.89 113.62 108.41 1pn3 n SER 231 Ca -0.01 0.64 0.03 0.00 -1.33 0.00 0.00 58.87 58.20 1pn3 n SER 231 Cb 0.37 -0.53 0.05 0.00 -0.75 0.00 0.00 64.21 63.35 1pn3 n SER 231 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1pn3 n SER 232 N 1.08 2.02 -4.66 -3.46 3.41 -1.26 -4.89 113.62 105.86 1pn3 n SER 232 Ca 0.10 -1.64 -0.43 0.00 -0.26 0.00 0.00 58.87 56.64 1pn3 n SER 232 Cb 0.12 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1pn3 n SER 232 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pn3 n ARG 233 N 0.19 1.80 -0.25 4.33 1.74 -1.26 -4.85 116.66 118.36 1pn3 n ARG 233 Ca 0.05 0.63 0.01 0.00 -0.77 0.00 0.00 57.85 57.77 1pn3 n ARG 233 Cb 0.25 -2.15 0.13 0.00 -1.02 0.00 0.00 32.46 29.68 1pn3 n ARG 233 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1pn3 h PRO 234 N 2.26 0.62 -0.88 5.56 0.13 -2.00 -0.76 132.00 136.93 1pn3 h PRO 234 Ca -0.44 -0.04 0.17 0.00 -0.87 0.00 0.00 66.00 64.82 1pn3 h PRO 234 Cb 1.31 -0.14 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1pn3 h PRO 234 CO 0.61 0.41 0.57 0.00 -0.23 0.00 0.00 178.00 179.37 1pn3 h ALA 235 N 1.42 2.00 -0.43 -0.56 0.00 -1.95 0.43 119.26 120.18 1pn3 h ALA 235 Ca 0.35 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 1pn3 h ALA 235 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1pn3 h ALA 235 CO -0.25 -0.27 -0.06 1.15 0.00 0.00 0.00 179.25 179.83 1pn3 h THR 236 N 0.55 1.27 -0.53 0.00 2.02 -1.46 0.24 112.91 115.00 1pn3 h THR 236 Ca 0.45 -1.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 1pn3 h THR 236 Cb 0.92 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 1pn3 h THR 236 CO -0.19 0.38 0.33 0.00 0.37 0.00 0.00 175.52 176.41 1pn3 h ALA 237 N 0.87 0.68 -0.03 6.16 0.00 -0.79 0.26 119.26 126.41 1pn3 h ALA 237 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pn3 h ALA 237 Cb 0.57 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pn3 h ALA 237 CO 0.03 0.15 0.01 -0.44 0.00 0.00 0.00 179.25 179.00 1pn3 h ASP 238 N 0.72 0.05 -0.81 0.00 3.32 -0.91 -0.50 116.42 118.28 1pn3 h ASP 238 Ca 0.19 -0.19 0.19 0.00 0.02 0.00 0.00 57.03 57.24 1pn3 h ASP 238 Cb -0.04 -0.01 -0.12 0.00 0.22 0.00 0.00 39.33 39.38 1pn3 h ASP 238 CO -0.04 0.23 0.25 0.00 -1.72 0.00 0.00 179.24 177.95 1pn3 h ALA 239 N 0.82 1.15 -0.22 3.45 0.00 -0.12 0.38 119.26 124.72 1pn3 h ALA 239 Ca 0.01 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1pn3 h ALA 239 Cb 0.19 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1pn3 h ALA 239 CO -0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 179.25 178.64 1pn3 h ALA 240 N 1.68 1.17 -0.30 0.00 0.00 -0.46 -2.66 119.26 118.68 1pn3 h ALA 240 Ca 0.48 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1pn3 h ALA 240 Cb 0.89 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1pn3 h ALA 240 CO -0.55 0.53 -0.00 0.87 0.00 0.00 0.00 179.25 180.10 1pn3 h LYS 241 N 0.37 0.54 -0.05 0.00 1.57 0.14 -2.49 116.57 116.64 1pn3 h LYS 241 Ca 0.06 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 1pn3 h LYS 241 Cb 0.64 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1pn3 h LYS 241 CO 0.05 0.68 -0.38 0.52 -0.57 0.00 0.00 179.45 179.75 1pn3 h MET 242 N 0.33 0.10 -0.17 3.15 2.86 -1.14 -2.71 114.93 117.36 1pn3 h MET 242 Ca 0.09 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1pn3 h MET 242 Cb 0.44 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 1pn3 h MET 242 CO 0.02 0.47 -0.05 0.00 1.06 0.00 0.00 176.91 178.40 1pn3 h ALA 243 N 1.53 0.24 -0.33 6.32 0.00 -1.38 0.11 119.26 125.74 1pn3 h ALA 243 Ca 0.01 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.74 1pn3 h ALA 243 Cb 0.71 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1pn3 h ALA 243 CO 0.05 0.02 -0.17 0.82 0.00 0.00 0.00 179.25 179.96 1pn3 h ILE 244 N 0.03 0.48 -0.81 0.00 1.08 -1.31 0.33 117.51 117.31 1pn3 h ILE 244 Ca 0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.51 1pn3 h ILE 244 Cb 0.50 0.48 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 1pn3 h ILE 244 CO 0.02 0.00 0.49 0.11 -0.69 0.00 0.00 178.15 178.08 1pn3 h LYS 245 N -0.13 1.11 -0.06 2.37 1.57 -1.35 0.51 116.57 120.60 1pn3 h LYS 245 Ca 0.17 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1pn3 h LYS 245 Cb 0.38 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1pn3 h LYS 245 CO -0.41 0.78 -0.41 0.00 -0.57 0.00 0.00 179.45 178.84 1pn3 h ALA 246 N 1.26 1.22 -0.08 3.86 0.00 0.33 0.40 119.26 126.25 1pn3 h ALA 246 Ca 0.29 -0.39 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 1pn3 h ALA 246 Cb -0.04 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1pn3 h ALA 246 CO -0.05 0.55 -0.83 0.28 0.00 0.00 0.00 179.25 179.20 1pn3 h VAL 247 N 0.10 1.30 -0.33 0.00 2.07 0.20 -2.66 116.25 116.93 1pn3 h VAL 247 Ca 0.01 -2.06 -0.11 0.00 0.82 0.00 0.00 66.70 65.35 1pn3 h VAL 247 Cb 0.77 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1pn3 h VAL 247 CO 0.06 0.64 -0.26 0.03 0.02 0.00 0.00 177.57 178.06 1pn3 h ARG 248 N 0.39 0.67 -0.91 1.57 3.08 -0.67 -1.70 114.38 116.81 1pn3 h ARG 248 Ca -0.08 -0.28 0.11 0.00 0.07 0.00 0.00 59.98 59.80 1pn3 h ARG 248 Cb 1.48 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.43 1pn3 h ARG 248 CO 0.17 0.86 0.59 0.00 -1.07 0.00 0.00 179.97 180.52 1pn3 h ALA 249 N 1.13 1.64 -0.29 0.04 0.00 -0.10 0.18 119.26 121.86 1pn3 h ALA 249 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pn3 h ALA 249 Cb 0.75 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1pn3 h ALA 249 CO 0.06 0.15 0.00 0.43 0.00 0.00 0.00 179.25 179.89 1pn3 n SER 250 N -4.55 1.61 -2.23 0.00 7.64 -1.01 -4.92 113.62 110.16 1pn3 n SER 250 Ca 0.16 -1.96 -0.16 0.00 1.01 0.00 0.00 58.87 57.92 1pn3 n SER 250 Cb 0.34 -0.19 0.03 0.00 -1.01 0.00 0.00 64.21 63.37 1pn3 n SER 250 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pn3 n GLY 251 N 1.00 -0.16 3.63 0.23 0.00 0.62 -5.03 105.19 105.48 1pn3 n GLY 251 Ca 0.11 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1pn3 n GLY 251 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pn3 s ARG 252 N -5.40 2.06 0.51 1.61 1.81 -0.67 -5.02 118.95 113.85 1pn3 s ARG 252 Ca 0.23 -1.78 -0.00 0.00 -1.72 0.00 0.00 55.73 52.46 1pn3 s ARG 252 Cb -0.10 -1.90 0.01 0.00 -0.45 0.00 0.00 34.95 32.51 1pn3 s ARG 252 CO 0.29 0.12 0.74 1.03 -0.68 0.00 0.00 175.30 176.79 1pn3 s ARG 253 N -3.72 2.83 0.07 3.54 0.52 -1.26 -4.21 118.95 116.72 1pn3 s ARG 253 Ca 0.35 -0.55 0.06 0.00 -0.52 0.00 0.00 55.73 55.07 1pn3 s ARG 253 Cb 0.01 -2.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.95 1pn3 s ARG 253 CO 0.19 -0.50 -0.17 0.42 0.02 0.00 0.00 175.30 175.26 1pn3 s ILE 254 N -2.69 1.36 -0.33 1.52 1.01 0.12 -0.45 121.20 121.73 1pn3 s ILE 254 Ca 0.53 -1.31 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1pn3 s ILE 254 Cb -0.10 -1.25 0.10 0.00 0.01 0.00 0.00 42.46 41.22 1pn3 s ILE 254 CO 0.39 -0.09 0.06 -0.69 0.00 0.00 0.00 174.94 174.61 1pn3 s VAL 255 N -1.11 1.98 -0.18 2.92 1.01 -0.67 -0.66 120.40 123.68 1pn3 s VAL 255 Ca 0.02 -2.13 -0.16 0.00 0.00 0.00 0.00 61.98 59.72 1pn3 s VAL 255 Cb -0.09 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1pn3 s VAL 255 CO 0.03 -0.60 0.39 -0.22 0.00 0.00 0.00 175.10 174.69 1pn3 s LEU 256 N 1.06 4.19 -0.07 3.92 2.96 0.74 -1.78 118.68 129.70 1pn3 s LEU 256 Ca 0.10 0.55 -0.26 0.00 -0.22 0.00 0.00 54.13 54.30 1pn3 s LEU 256 Cb -0.19 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 1pn3 s LEU 256 CO -0.12 -0.03 0.83 -0.55 -1.32 0.00 0.00 176.35 175.17 1pn3 s SER 257 N 0.87 7.11 0.10 3.68 0.15 -0.38 0.12 113.70 125.35 1pn3 s SER 257 Ca 0.19 1.35 0.03 0.00 0.70 0.00 0.00 55.95 58.23 1pn3 s SER 257 Cb -0.14 -2.48 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1pn3 s SER 257 CO 0.07 -0.24 -0.09 -0.13 1.20 0.00 0.00 173.24 174.05 1pn3 s ARG 258 N 1.22 0.84 0.46 5.44 1.81 0.03 -4.80 118.95 123.95 1pn3 s ARG 258 Ca 0.43 -1.18 0.08 0.00 -1.72 0.00 0.00 55.73 53.34 1pn3 s ARG 258 Cb -0.19 -0.48 0.02 0.00 -0.45 0.00 0.00 34.95 33.86 1pn3 s ARG 258 CO 0.20 0.07 0.56 0.20 -0.68 0.00 0.00 175.30 175.65 1pn3 s GLY 259 N -2.52 1.97 0.28 -3.53 0.00 -1.26 -4.40 107.32 97.85 1pn3 s GLY 259 Ca 0.06 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.99 1pn3 s GLY 259 CO -0.01 -1.60 1.76 1.49 0.00 0.00 0.00 173.10 174.74 1pn3 h TRP 260 N 0.64 0.69 0.00 1.90 4.06 -1.99 -2.89 115.95 118.36 1pn3 h TRP 260 Ca -0.38 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 60.46 1pn3 h TRP 260 Cb 1.28 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 29.26 1pn3 h TRP 260 CO 0.46 0.72 0.00 0.00 -3.56 0.00 0.00 178.44 176.06 1pn3 h ALA 261 N 1.30 1.00 -2.57 1.49 0.00 -1.97 -3.47 119.26 115.05 1pn3 h ALA 261 Ca 0.11 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.53 1pn3 h ALA 261 Cb 0.52 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.35 1pn3 h ALA 261 CO 0.03 0.00 0.44 -0.51 0.00 0.00 0.00 179.25 179.21 1pn3 s ASP 262 N -4.64 6.45 0.78 0.00 1.01 -1.10 -5.04 116.67 114.14 1pn3 s ASP 262 Ca 0.09 2.14 -0.11 0.00 0.71 0.00 0.00 52.55 55.38 1pn3 s ASP 262 Cb 0.11 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.51 1pn3 s ASP 262 CO 0.55 -0.71 1.09 -0.76 0.21 0.00 0.00 175.17 175.55 1pn3 s LEU 263 N -2.91 2.92 0.19 1.23 1.43 -1.26 -4.94 118.68 115.34 1pn3 s LEU 263 Ca 0.61 1.73 -0.29 0.00 -1.03 0.00 0.00 54.13 55.16 1pn3 s LEU 263 Cb -0.24 -4.41 -0.08 0.00 0.03 0.00 0.00 46.19 41.49 1pn3 s LEU 263 CO 0.30 -2.04 0.90 -0.69 0.23 0.00 0.00 176.35 175.05 1pn3 s VAL 264 N -2.94 4.24 0.42 -1.59 1.01 -1.26 -5.01 120.40 115.28 1pn3 s VAL 264 Ca 0.61 1.99 -0.26 0.00 0.00 0.00 0.00 61.98 64.32 1pn3 s VAL 264 Cb -0.17 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 31.84 1pn3 s VAL 264 CO 0.56 0.46 1.43 -0.76 0.00 0.00 0.00 175.10 176.80 1pn3 s LEU 265 N -0.89 4.19 0.00 3.92 1.43 -1.26 -4.95 118.68 121.12 1pn3 s LEU 265 Ca 0.41 2.94 0.00 0.00 -1.03 0.00 0.00 54.13 56.45 1pn3 s LEU 265 Cb -0.25 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.12 1pn3 s LEU 265 CO 0.30 -1.06 0.51 -2.65 0.23 0.00 0.00 176.35 173.69 1pn3 n PRO 266 N 0.03 0.00 0.00 1.29 -0.02 -1.26 -4.89 135.00 130.15 1pn3 n PRO 266 Ca 0.04 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1pn3 n PRO 266 Cb 0.41 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 1pn3 n PRO 266 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1pn3 n ASP 267 N -0.71 0.11 0.00 2.55 5.68 -1.26 -5.17 116.55 117.75 1pn3 n ASP 267 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1pn3 n ASP 267 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1pn3 n ASP 267 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1pn3 n ASP 268 N 0.00 0.00 -4.00 -1.12 10.43 -1.26 -5.16 116.55 115.44 1pn3 n ASP 268 Ca 0.00 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 57.06 1pn3 n ASP 268 Cb 0.00 0.00 0.21 0.00 1.84 0.00 0.00 41.12 43.17 1pn3 n ASP 268 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1pn3 s GLY 269 N 0.00 1.64 0.00 0.44 0.00 -1.26 -4.91 107.32 103.23 1pn3 s GLY 269 Ca 0.00 -0.98 0.21 0.00 0.00 0.00 0.00 44.72 43.95 1pn3 s GLY 269 CO 0.00 -0.16 1.53 0.00 0.00 0.00 0.00 173.10 174.47 1pn3 n ALA 270 N -4.38 2.51 0.86 3.20 0.00 -1.26 -3.60 120.51 117.85 1pn3 n ALA 270 Ca 0.13 -0.56 0.10 0.00 0.00 0.00 0.00 53.44 53.11 1pn3 n ALA 270 Cb 0.59 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 19.01 1pn3 n ALA 270 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pn3 n ASP 271 N 0.42 2.26 -4.14 0.00 5.75 -1.26 -4.88 116.55 114.69 1pn3 n ASP 271 Ca 0.16 -1.63 -0.32 0.00 -0.01 0.00 0.00 54.79 52.99 1pn3 n ASP 271 Cb 0.35 0.25 -0.16 0.00 -1.03 0.00 0.00 41.12 40.53 1pn3 n ASP 271 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pn3 s PHE 273 N 1.03 2.98 0.15 0.00 5.36 0.16 -4.74 117.98 122.93 1pn3 s PHE 273 Ca -0.02 -1.55 -0.30 0.00 -0.96 0.00 0.00 56.93 54.10 1pn3 s PHE 273 Cb -0.14 -2.01 -0.07 0.00 -0.34 0.00 0.00 43.02 40.45 1pn3 s PHE 273 CO -0.06 -0.74 0.98 0.08 -1.46 0.00 0.00 175.22 174.02 1pn3 s VAL 274 N 1.32 4.29 0.07 3.12 1.01 -1.26 -0.19 120.40 128.76 1pn3 s VAL 274 Ca 0.02 2.00 0.05 0.00 0.00 0.00 0.00 61.98 64.05 1pn3 s VAL 274 Cb -0.15 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 1pn3 s VAL 274 CO -0.07 0.36 -0.13 -0.69 0.00 0.00 0.00 175.10 174.57 1pn3 s VAL 275 N -0.34 1.01 0.00 2.92 1.01 0.32 -4.89 120.40 120.43 1pn3 s VAL 275 Ca 0.46 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1pn3 s VAL 275 Cb -0.25 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.14 1pn3 s VAL 275 CO 0.31 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1pn3 n GLY 276 N 1.31 1.81 3.57 4.51 0.00 -1.26 -0.79 105.19 114.34 1pn3 n GLY 276 Ca -0.21 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 1pn3 n GLY 276 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pn3 s GLU 277 N 2.28 2.54 0.40 1.61 0.41 -1.26 -4.88 118.70 119.79 1pn3 s GLU 277 Ca 0.00 -0.90 0.08 0.00 -0.41 0.00 0.00 54.97 53.73 1pn3 s GLU 277 Cb 0.00 -5.19 -0.04 0.00 -1.78 0.00 0.00 34.13 27.12 1pn3 s GLU 277 CO 0.00 -3.76 0.24 0.54 -0.49 0.00 0.00 175.26 171.79 1pn3 s VAL 278 N 10.59 2.60 -0.95 2.63 0.11 -1.26 -5.05 120.40 129.07 1pn3 s VAL 278 Ca 0.69 -1.57 -0.18 0.00 -2.93 0.00 0.00 61.98 57.98 1pn3 s VAL 278 Cb -0.03 -3.00 0.14 0.00 -1.53 0.00 0.00 36.38 31.96 1pn3 s VAL 278 CO 0.09 -0.04 1.13 0.21 -3.33 0.00 0.00 175.10 173.16 1pn3 s ASN 279 N -3.97 6.67 0.25 3.54 3.84 -1.26 -4.85 114.94 119.16 1pn3 s ASN 279 Ca 0.43 -2.15 -0.05 0.00 0.21 0.00 0.00 52.86 51.30 1pn3 s ASN 279 Cb 0.00 -2.39 0.31 0.00 -0.55 0.00 0.00 41.25 38.62 1pn3 s ASN 279 CO 0.24 -1.01 1.91 -0.07 -2.79 0.00 0.00 177.10 175.38 1pn3 h LEU 280 N 10.22 1.10 -0.78 3.21 3.38 -1.96 0.23 115.31 130.70 1pn3 h LEU 280 Ca 0.17 -0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.30 1pn3 h LEU 280 Cb 1.01 -0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.39 1pn3 h LEU 280 CO 1.10 0.76 0.18 1.56 0.09 0.00 0.00 178.44 182.13 1pn3 h GLN 281 N 1.28 0.24 0.07 1.13 4.20 -1.91 0.14 115.11 120.25 1pn3 h GLN 281 Ca 0.39 -0.01 -0.28 0.00 0.06 0.00 0.00 58.65 58.80 1pn3 h GLN 281 Cb -0.03 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1pn3 h GLN 281 CO -0.12 0.16 -1.44 1.49 -0.67 0.00 0.00 178.83 178.25 1pn3 h GLU 282 N 0.25 0.15 -0.31 1.46 4.57 -1.61 -3.36 114.58 115.74 1pn3 h GLU 282 Ca 0.45 -0.26 -0.10 0.00 -1.18 0.00 0.00 59.36 58.27 1pn3 h GLU 282 Cb 0.81 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 1pn3 h GLU 282 CO -0.56 0.99 -0.21 1.25 -1.18 0.00 0.00 179.01 179.30 1pn3 h LEU 283 N 0.04 0.71 -2.23 1.64 5.85 0.16 -2.87 115.31 118.61 1pn3 h LEU 283 Ca -0.20 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.09 1pn3 h LEU 283 Cb 1.96 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.79 1pn3 h LEU 283 CO 0.14 0.99 0.00 -0.26 -0.34 0.00 0.00 178.44 178.98 1pn3 h PHE 284 N 0.44 0.00 -0.02 1.25 0.04 -0.91 0.47 116.94 118.20 1pn3 h PHE 284 Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1pn3 h PHE 284 Cb 0.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.90 1pn3 h PHE 284 CO 0.07 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.19 1pn3 n GLY 285 N -1.15 -0.29 0.04 -1.45 0.00 -1.08 -3.61 105.19 97.65 1pn3 n GLY 285 Ca -0.02 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.67 1pn3 n GLY 285 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pn3 n ARG 286 N -0.17 2.45 -4.51 1.61 5.12 0.16 -5.05 116.66 116.27 1pn3 n ARG 286 Ca 0.20 -1.86 -0.24 0.00 -1.93 0.00 0.00 57.85 54.02 1pn3 n ARG 286 Cb 0.27 -1.17 -0.11 0.00 -1.16 0.00 0.00 32.46 30.30 1pn3 n ARG 286 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1pn3 s VAL 287 N -1.61 1.73 -0.05 1.55 -7.23 -1.19 -4.58 120.40 109.03 1pn3 s VAL 287 Ca 0.11 -2.07 0.05 0.00 -1.81 0.00 0.00 61.98 58.25 1pn3 s VAL 287 Cb 0.09 -2.73 -0.25 0.00 0.56 0.00 0.00 36.38 34.05 1pn3 s VAL 287 CO 0.01 -0.12 0.65 0.00 -0.31 0.00 0.00 175.10 175.34 1pn3 h ALA 288 N 2.04 0.58 -2.78 1.32 0.00 -1.47 -3.48 119.26 115.47 1pn3 h ALA 288 Ca -0.42 -1.36 0.08 0.00 0.00 0.00 0.00 54.91 53.22 1pn3 h ALA 288 Cb 1.24 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 1pn3 h ALA 288 CO 0.72 1.42 0.35 0.00 0.00 0.00 0.00 179.25 181.75 1pn3 s ALA 289 N -2.60 -1.24 -0.03 0.00 0.00 -1.26 -4.04 121.76 112.59 1pn3 s ALA 289 Ca -0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 1pn3 s ALA 289 Cb 0.08 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.97 1pn3 s ALA 289 CO 0.81 -1.03 0.05 0.00 0.00 0.00 0.00 175.76 175.60 1pn3 s ALA 290 N -3.09 0.13 -0.41 0.00 0.00 -0.87 -1.74 121.76 115.78 1pn3 s ALA 290 Ca 0.14 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.27 1pn3 s ALA 290 Cb -0.04 -0.44 0.06 0.00 0.00 0.00 0.00 23.12 22.70 1pn3 s ALA 290 CO 0.07 -0.30 0.26 0.42 0.00 0.00 0.00 175.76 176.21 1pn3 s ILE 291 N 1.63 4.46 0.04 0.00 1.01 0.64 0.46 121.20 129.44 1pn3 s ILE 291 Ca -0.02 -1.20 0.01 0.00 0.00 0.00 0.00 60.65 59.44 1pn3 s ILE 291 Cb -0.12 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 1pn3 s ILE 291 CO -0.03 -0.44 0.03 0.00 0.00 0.00 0.00 174.94 174.50 1pn3 n HIS 292 N 4.98 -0.07 -2.63 3.97 1.44 -0.10 -1.89 115.22 120.92 1pn3 n HIS 292 Ca -0.11 -0.32 -0.23 0.00 -2.01 0.00 0.00 57.72 55.05 1pn3 n HIS 292 Cb 0.44 0.03 0.09 0.00 0.12 0.00 0.00 29.99 30.67 1pn3 n HIS 292 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 1pn3 s HIS 293 N -2.07 1.73 -1.36 -1.40 -3.43 -1.24 -1.44 115.29 106.09 1pn3 s HIS 293 Ca 0.04 -0.29 -0.16 0.00 -0.80 0.00 0.00 55.06 53.85 1pn3 s HIS 293 Cb 0.00 -2.89 0.05 0.00 -1.43 0.00 0.00 32.58 28.32 1pn3 s HIS 293 CO 0.03 -1.55 1.96 -3.47 -2.00 0.00 0.00 174.74 169.70 1pn3 n ASP 294 N -2.72 4.42 -4.20 7.38 2.03 -1.21 -4.69 116.55 117.56 1pn3 n ASP 294 Ca 0.14 -2.88 -0.28 0.00 0.52 0.00 0.00 54.79 52.29 1pn3 n ASP 294 Cb 0.61 -1.70 -0.16 0.00 -0.72 0.00 0.00 41.12 39.14 1pn3 n ASP 294 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1pn3 s SER 295 N 3.84 2.57 0.21 1.67 0.15 -1.26 -4.91 113.70 115.97 1pn3 s SER 295 Ca 0.51 -0.42 -0.07 0.00 0.70 0.00 0.00 55.95 56.67 1pn3 s SER 295 Cb 0.08 -0.68 0.16 0.00 -1.71 0.00 0.00 66.02 63.87 1pn3 s SER 295 CO 0.01 0.20 1.69 0.00 1.20 0.00 0.00 173.24 176.34 1pn3 h ALA 296 N 6.12 0.94 0.04 5.45 0.00 -1.99 -2.11 119.26 127.72 1pn3 h ALA 296 Ca -0.33 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1pn3 h ALA 296 Cb 1.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1pn3 h ALA 296 CO 0.47 0.65 -0.02 0.78 0.00 0.00 0.00 179.25 181.13 1pn3 h GLY 297 N 1.01 -0.06 1.05 0.00 0.00 -1.99 -1.80 103.07 101.29 1pn3 h GLY 297 Ca 0.18 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.47 1pn3 h GLY 297 CO 0.02 -0.02 0.21 -0.84 0.00 0.00 0.00 176.54 175.91 1pn3 h THR 298 N -0.51 1.26 -0.48 4.70 2.02 -1.95 -1.43 112.91 116.53 1pn3 h THR 298 Ca -0.01 -0.92 -0.04 0.00 0.77 0.00 0.00 66.41 66.21 1pn3 h THR 298 Cb 0.46 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1pn3 h THR 298 CO 0.01 0.36 0.13 0.74 0.37 0.00 0.00 175.52 177.13 1pn3 h THR 299 N 1.06 1.20 -0.11 3.16 2.02 -1.41 -2.04 112.91 116.80 1pn3 h THR 299 Ca 0.23 -0.71 -0.08 0.00 0.77 0.00 0.00 66.41 66.62 1pn3 h THR 299 Cb 0.33 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1pn3 h THR 299 CO -0.00 0.26 -0.25 0.25 0.37 0.00 0.00 175.52 176.16 1pn3 h LEU 300 N 0.70 0.40 -1.13 2.58 5.85 -0.92 -0.13 115.31 122.66 1pn3 h LEU 300 Ca 0.16 -0.57 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 1pn3 h LEU 300 Cb 0.24 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1pn3 h LEU 300 CO -0.00 0.90 0.24 -0.07 -0.34 0.00 0.00 178.44 179.17 1pn3 h LEU 301 N -0.08 0.78 -0.05 2.25 3.38 -1.17 0.30 115.31 120.72 1pn3 h LEU 301 Ca -0.00 -0.10 -0.20 0.00 0.09 0.00 0.00 57.88 57.67 1pn3 h LEU 301 Cb 0.84 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.41 1pn3 h LEU 301 CO 0.05 0.70 -0.75 0.00 0.09 0.00 0.00 178.44 178.53 1pn3 h ALA 302 N 1.42 0.16 -0.04 1.53 0.00 -1.40 -2.76 119.26 118.17 1pn3 h ALA 302 Ca 0.20 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1pn3 h ALA 302 Cb 0.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1pn3 h ALA 302 CO -0.02 0.52 -0.26 1.98 0.00 0.00 0.00 179.25 181.47 1pn3 h MET 303 N 0.22 0.07 -0.01 0.00 1.85 -0.52 -1.87 114.93 114.67 1pn3 h MET 303 Ca -0.08 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.99 1pn3 h MET 303 Cb 1.42 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.44 1pn3 h MET 303 CO 0.15 0.33 -0.23 2.89 -0.40 0.00 0.00 176.91 179.65 1pn3 n ARG 304 N -4.21 0.77 0.04 0.39 1.85 0.10 -3.42 116.66 112.18 1pn3 n ARG 304 Ca -0.02 -0.41 0.11 0.00 -1.00 0.00 0.00 57.85 56.53 1pn3 n ARG 304 Cb 0.33 -1.49 0.05 0.00 -1.05 0.00 0.00 32.46 30.30 1pn3 n ARG 304 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pn3 n ALA 305 N -0.76 3.26 -1.94 2.89 0.00 -0.74 -4.90 120.51 118.33 1pn3 n ALA 305 Ca 0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.18 1pn3 n ALA 305 Cb 0.33 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 1pn3 n ALA 305 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pn3 n GLY 306 N 1.36 0.32 3.56 0.00 0.00 -1.01 -4.85 105.19 104.57 1pn3 n GLY 306 Ca 0.02 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 1pn3 n GLY 306 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pn3 s ILE 307 N -2.08 3.73 0.66 -0.61 -4.36 -1.17 -3.85 121.20 113.52 1pn3 s ILE 307 Ca 0.00 -0.46 -0.17 0.00 -0.26 0.00 0.00 60.65 59.76 1pn3 s ILE 307 Cb 0.00 -2.55 0.00 0.00 1.25 0.00 0.00 42.46 41.17 1pn3 s ILE 307 CO 0.00 0.58 1.21 -2.16 0.24 0.00 0.00 174.94 174.81 1pn3 s PRO 308 N -0.58 2.56 0.01 0.37 0.04 -1.26 -4.67 135.00 131.48 1pn3 s PRO 308 Ca 0.09 1.80 -0.03 0.00 0.04 0.00 0.00 61.00 62.90 1pn3 s PRO 308 Cb -0.12 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1pn3 s PRO 308 CO 0.02 -1.52 0.04 1.14 0.04 0.00 0.00 177.00 176.72 1pn3 s GLN 309 N -3.62 0.35 -0.31 4.56 -2.07 -1.12 -2.05 119.66 115.40 1pn3 s GLN 309 Ca 0.76 -0.46 -0.05 0.00 -1.82 0.00 0.00 55.36 53.79 1pn3 s GLN 309 Cb -0.30 0.14 0.03 0.00 -1.09 0.00 0.00 33.01 31.78 1pn3 s GLN 309 CO 0.39 -0.07 0.07 0.42 -1.32 0.00 0.00 175.29 174.78 1pn3 s ILE 310 N -1.28 3.65 -0.17 3.63 1.09 0.17 -1.23 121.20 127.06 1pn3 s ILE 310 Ca -0.14 -1.00 -0.06 0.00 -1.10 0.00 0.00 60.65 58.35 1pn3 s ILE 310 Cb -0.08 -2.98 -0.04 0.00 -1.06 0.00 0.00 42.46 38.30 1pn3 s ILE 310 CO 0.00 -0.04 0.03 -0.69 -0.10 0.00 0.00 174.94 174.14 1pn3 s VAL 311 N 1.41 4.49 -0.24 2.92 1.01 -0.78 -0.92 120.40 128.29 1pn3 s VAL 311 Ca -0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1pn3 s VAL 311 Cb -0.18 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 1pn3 s VAL 311 CO 0.01 0.48 0.22 -0.69 0.00 0.00 0.00 175.10 175.13 1pn3 s VAL 312 N 0.28 5.31 -0.42 2.92 1.01 -0.52 -0.83 120.40 128.15 1pn3 s VAL 312 Ca 0.01 0.30 -0.14 0.00 0.00 0.00 0.00 61.98 62.15 1pn3 s VAL 312 Cb -0.13 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.73 1pn3 s VAL 312 CO 0.01 0.30 0.31 0.00 0.00 0.00 0.00 175.10 175.71 1pn3 s ARG 313 N 1.32 2.93 0.10 2.72 1.70 0.39 -3.29 118.95 124.82 1pn3 s ARG 313 Ca 0.10 -1.13 -0.31 0.00 -0.47 0.00 0.00 55.73 53.92 1pn3 s ARG 313 Cb -0.14 -3.97 -0.09 0.00 -0.57 0.00 0.00 34.95 30.18 1pn3 s ARG 313 CO 0.07 -0.82 1.56 -0.98 -1.08 0.00 0.00 175.30 174.05 1pn3 s ARG 314 N 1.64 4.23 -0.24 3.89 1.04 -1.26 -2.49 118.95 125.76 1pn3 s ARG 314 Ca 0.04 2.26 0.02 0.00 -1.04 0.00 0.00 55.73 57.02 1pn3 s ARG 314 Cb -0.20 -3.39 0.05 0.00 -2.04 0.00 0.00 34.95 29.36 1pn3 s ARG 314 CO 0.08 -0.63 -0.13 0.14 -0.04 0.00 0.00 175.30 174.72 1pn3 s VAL 315 N 1.88 2.10 0.00 4.99 -7.23 -1.26 -4.91 120.40 115.96 1pn3 s VAL 315 Ca 0.70 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 1pn3 s VAL 315 Cb -0.40 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1pn3 s VAL 315 CO 0.31 0.12 0.00 0.00 -0.31 0.00 0.00 175.10 175.22 1pn3 n ALA 323 N 4.50 0.00 0.09 1.32 0.00 -1.26 -4.93 120.51 120.22 1pn3 n ALA 323 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 1pn3 n ALA 323 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 1pn3 n ALA 323 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1pn3 h TYR 324 N 0.00 -0.28 0.00 0.00 3.20 -1.99 -2.10 116.97 115.79 1pn3 h TYR 324 Ca 0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1pn3 h TYR 324 Cb 0.00 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1pn3 h TYR 324 CO 0.00 -0.16 -0.07 0.45 -1.64 0.00 0.00 178.16 176.74 1pn3 h HIS 325 N -0.25 0.00 0.31 -3.82 3.86 -1.93 0.77 115.15 114.09 1pn3 h HIS 325 Ca -0.02 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1pn3 h HIS 325 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1pn3 h HIS 325 CO 0.04 0.07 -0.15 0.00 0.86 0.00 0.00 177.93 178.75 1pn3 h ALA 326 N 1.93 -0.42 0.00 2.45 0.00 -1.91 -2.34 119.26 118.97 1pn3 h ALA 326 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1pn3 h ALA 326 Cb 0.26 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1pn3 h ALA 326 CO 0.01 -0.49 -0.20 -0.44 0.00 0.00 0.00 179.25 178.13 1pn3 h ASP 327 N -0.90 0.00 -0.03 0.00 3.32 -1.06 -2.31 116.42 115.45 1pn3 h ASP 327 Ca -0.04 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.86 1pn3 h ASP 327 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1pn3 h ASP 327 CO 0.07 0.20 -0.46 -0.09 -1.72 0.00 0.00 179.24 177.23 1pn3 h ARG 328 N 0.00 0.58 -0.13 3.56 9.65 -0.84 0.05 114.38 127.24 1pn3 h ARG 328 Ca -0.00 -0.32 -0.09 0.00 -1.10 0.00 0.00 59.98 58.46 1pn3 h ARG 328 Cb 0.45 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 1pn3 h ARG 328 CO 0.03 0.92 -0.32 0.28 2.80 0.00 0.00 179.97 183.68 1pn3 h VAL 329 N 0.46 1.27 0.09 0.20 2.07 -0.85 -1.46 116.25 118.03 1pn3 h VAL 329 Ca 0.03 -1.31 -0.26 0.00 0.82 0.00 0.00 66.70 65.98 1pn3 h VAL 329 Cb 0.99 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1pn3 h VAL 329 CO 0.09 0.40 -1.14 0.00 0.02 0.00 0.00 177.57 176.93 1pn3 h ALA 330 N 1.44 0.17 -0.54 1.67 0.00 -1.32 -1.91 119.26 118.77 1pn3 h ALA 330 Ca 0.03 -0.80 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 1pn3 h ALA 330 Cb 0.69 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1pn3 h ALA 330 CO 0.05 0.86 0.27 0.93 0.00 0.00 0.00 179.25 181.35 1pn3 h GLU 331 N 0.16 0.75 0.00 0.00 5.08 -0.59 -1.87 114.58 118.12 1pn3 h GLU 331 Ca -0.13 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1pn3 h GLU 331 Cb 1.83 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1pn3 h GLU 331 CO 0.20 0.58 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.31 1pn3 h LEU 332 N 0.76 0.00 0.25 1.33 3.38 -1.28 -3.47 115.31 116.28 1pn3 h LEU 332 Ca 0.19 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1pn3 h LEU 332 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1pn3 h LEU 332 CO -0.03 0.04 -0.07 0.61 0.09 0.00 0.00 178.44 179.09 1pn3 n GLY 333 N 1.26 0.50 0.03 0.83 0.00 -0.70 -4.93 105.19 102.18 1pn3 n GLY 333 Ca 0.03 -0.88 0.11 0.00 0.00 0.00 0.00 46.02 45.29 1pn3 n GLY 333 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pn3 n VAL 334 N -3.26 0.00 -3.16 1.61 0.31 -0.77 -4.62 118.33 108.44 1pn3 n VAL 334 Ca -0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1pn3 n VAL 334 Cb 0.24 0.62 0.00 0.00 -0.91 0.00 0.00 33.84 33.79 1pn3 n VAL 334 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pn3 n GLY 335 N 1.49 1.36 3.09 2.92 0.00 -1.13 -2.77 105.19 110.15 1pn3 n GLY 335 Ca 0.05 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 1pn3 n GLY 335 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pn3 s VAL 336 N -2.45 1.36 -0.20 1.61 1.01 -0.37 -4.27 120.40 117.09 1pn3 s VAL 336 Ca 0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 1pn3 s VAL 336 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1pn3 s VAL 336 CO 0.00 0.40 0.39 0.00 0.00 0.00 0.00 175.10 175.89 1pn3 s ALA 337 N 0.38 3.56 0.02 5.51 0.00 -1.26 -1.86 121.76 128.11 1pn3 s ALA 337 Ca -0.11 -0.53 0.09 0.00 0.00 0.00 0.00 51.96 51.41 1pn3 s ALA 337 Cb -0.14 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1pn3 s ALA 337 CO 0.04 -0.27 -0.26 0.08 0.00 0.00 0.00 175.76 175.35 1pn3 s VAL 338 N 1.24 2.06 0.09 0.00 1.01 -0.01 -4.97 120.40 119.81 1pn3 s VAL 338 Ca 0.19 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1pn3 s VAL 338 Cb -0.15 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.50 1pn3 s VAL 338 CO 0.08 0.43 0.07 -0.90 0.00 0.00 0.00 175.10 174.77 1pn3 n ASP 339 N 2.03 1.16 -0.12 3.32 3.85 -1.26 -0.46 116.55 125.06 1pn3 n ASP 339 Ca -0.17 -1.29 0.00 0.00 -0.71 0.00 0.00 54.79 52.63 1pn3 n ASP 339 Cb 0.52 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.27 1pn3 n ASP 339 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1pn3 n GLY 340 N 3.97 -3.01 0.22 6.12 0.00 -1.04 -4.12 105.19 107.33 1pn3 n GLY 340 Ca -0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 46.02 44.82 1pn3 n GLY 340 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pn3 h PRO 341 N 0.08 0.35 -4.27 1.61 0.11 -1.93 -3.35 132.00 124.60 1pn3 h PRO 341 Ca 0.00 -0.02 -0.64 0.00 0.11 0.00 0.00 66.00 65.45 1pn3 h PRO 341 Cb 0.03 -0.08 -0.40 0.00 0.11 0.00 0.00 31.00 30.66 1pn3 h PRO 341 CO 0.00 0.23 -0.72 0.08 -0.21 0.00 0.00 178.00 177.38 1pn3 s VAL 342 N -6.11 2.06 0.98 3.15 1.01 -1.26 -4.59 120.40 115.63 1pn3 s VAL 342 Ca -0.13 -2.33 -0.12 0.00 0.00 0.00 0.00 61.98 59.40 1pn3 s VAL 342 Cb 0.16 -2.51 0.18 0.00 0.00 0.00 0.00 36.38 34.21 1pn3 s VAL 342 CO 0.74 -0.65 1.08 -2.16 0.00 0.00 0.00 175.10 174.11 1pn3 s PRO 343 N 0.84 0.57 0.57 2.72 0.04 -1.26 -5.02 135.00 133.47 1pn3 s PRO 343 Ca 0.12 0.73 -0.07 0.00 0.04 0.00 0.00 61.00 61.82 1pn3 s PRO 343 Cb -0.20 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 1pn3 s PRO 343 CO -0.09 -2.69 0.91 0.95 0.04 0.00 0.00 177.00 176.12 1pn3 s THR 344 N -2.86 4.22 0.35 1.26 -4.23 -1.26 -4.91 115.64 108.20 1pn3 s THR 344 Ca 0.65 0.28 0.06 0.00 -1.18 0.00 0.00 61.69 61.50 1pn3 s THR 344 Cb -0.19 -3.66 0.14 0.00 1.34 0.00 0.00 72.50 70.13 1pn3 s THR 344 CO 0.58 -0.73 1.86 0.40 -0.54 0.00 0.00 174.62 176.20 1pn3 h ILE 345 N -0.13 1.20 -0.24 2.99 5.03 -1.96 -1.13 117.51 123.28 1pn3 h ILE 345 Ca -0.46 -0.87 -0.02 0.00 -0.12 0.00 0.00 64.86 63.39 1pn3 h ILE 345 Cb 1.23 1.12 -0.01 0.00 -3.03 0.00 0.00 36.82 36.13 1pn3 h ILE 345 CO 0.62 0.28 0.08 0.44 -0.68 0.00 0.00 178.15 178.89 1pn3 h ASP 346 N 0.38 0.34 0.74 1.72 5.19 -1.97 0.38 116.42 123.20 1pn3 h ASP 346 Ca 0.08 -0.19 -0.03 0.00 -0.62 0.00 0.00 57.03 56.26 1pn3 h ASP 346 Cb 0.41 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 1pn3 h ASP 346 CO 0.02 0.44 -0.47 0.28 -3.12 0.00 0.00 179.24 176.39 1pn3 h SER 347 N 0.22 -1.18 -0.89 6.45 0.02 -1.78 -1.01 113.55 115.37 1pn3 h SER 347 Ca 0.08 0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.18 1pn3 h SER 347 Cb 0.21 0.35 -0.06 0.00 0.14 0.00 0.00 62.40 63.04 1pn3 h SER 347 CO -0.00 -0.71 0.58 -0.07 -1.14 0.00 0.00 176.83 175.48 1pn3 h LEU 348 N -1.14 0.84 -0.49 5.07 3.38 -1.19 -0.53 115.31 121.26 1pn3 h LEU 348 Ca -0.10 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 1pn3 h LEU 348 Cb 0.92 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1pn3 h LEU 348 CO 0.09 0.52 -0.66 -1.28 0.09 0.00 0.00 178.44 177.20 1pn3 h SER 349 N 0.94 0.46 -0.20 -0.43 0.87 -0.08 -1.06 113.55 114.05 1pn3 h SER 349 Ca 0.40 -0.28 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 1pn3 h SER 349 Cb 0.32 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1pn3 h SER 349 CO -0.16 0.99 -0.30 0.00 -0.53 0.00 0.00 176.83 176.83 1pn3 h ALA 350 N 1.00 0.31 -0.53 6.23 0.00 -0.68 -1.20 119.26 124.40 1pn3 h ALA 350 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1pn3 h ALA 350 Cb 1.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1pn3 h ALA 350 CO 0.11 0.33 0.35 0.00 0.00 0.00 0.00 179.25 180.04 1pn3 h ALA 351 N 0.62 0.67 -0.28 0.00 0.00 -1.08 -1.15 119.26 118.03 1pn3 h ALA 351 Ca 0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1pn3 h ALA 351 Cb 0.87 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1pn3 h ALA 351 CO 0.07 0.11 -0.04 1.25 0.00 0.00 0.00 179.25 180.64 1pn3 h LEU 352 N 0.71 0.42 -0.43 0.00 5.85 -1.13 0.34 115.31 121.07 1pn3 h LEU 352 Ca 0.19 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 1pn3 h LEU 352 Cb -0.08 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1pn3 h LEU 352 CO -0.04 0.51 0.00 0.44 -0.34 0.00 0.00 178.44 179.01 1pn3 h ASP 353 N 0.43 0.74 0.90 1.25 3.32 -0.16 -0.70 116.42 122.19 1pn3 h ASP 353 Ca 0.09 -0.31 -0.23 0.00 0.02 0.00 0.00 57.03 56.61 1pn3 h ASP 353 Cb 0.35 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1pn3 h ASP 353 CO 0.01 0.86 -1.08 0.71 -1.72 0.00 0.00 179.24 178.03 1pn3 h THR 354 N 0.59 1.64 -0.42 0.35 1.35 -0.97 -3.21 112.91 112.23 1pn3 h THR 354 Ca 0.12 -3.32 -0.09 0.00 -0.55 0.00 0.00 66.41 62.57 1pn3 h THR 354 Cb 0.49 2.85 -0.02 0.00 -1.73 0.00 0.00 68.15 69.74 1pn3 h THR 354 CO 0.02 0.94 -0.12 0.00 -0.25 0.00 0.00 175.52 176.12 1pn3 h ALA 355 N 0.91 1.00 0.00 6.62 0.00 -0.24 -2.49 119.26 125.06 1pn3 h ALA 355 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1pn3 h ALA 355 Cb 1.82 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1pn3 h ALA 355 CO 0.14 0.60 0.00 1.28 0.00 0.00 0.00 179.25 181.27 1pn3 n LEU 356 N -4.16 0.00 -4.71 0.00 4.77 -0.28 -4.42 117.00 108.20 1pn3 n LEU 356 Ca 0.01 0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 1pn3 n LEU 356 Cb 0.37 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1pn3 n LEU 356 CO 0.43 -0.00 0.92 0.00 -1.33 0.00 0.00 177.39 177.40 1pn3 s ALA 357 N -2.23 3.43 0.57 -1.18 0.00 -0.94 -4.89 121.76 116.51 1pn3 s ALA 357 Ca 0.40 0.89 0.32 0.00 0.00 0.00 0.00 51.96 53.56 1pn3 s ALA 357 Cb 0.21 -3.46 1.42 0.00 0.00 0.00 0.00 23.12 21.29 1pn3 s ALA 357 CO 0.40 -0.47 1.76 -1.00 0.00 0.00 0.00 175.76 176.45 1pn3 h PRO 358 N 6.83 0.00 -0.32 0.00 0.13 -1.88 0.66 132.00 137.42 1pn3 h PRO 358 Ca -0.41 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.59 1pn3 h PRO 358 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1pn3 h PRO 358 CO 0.82 0.00 -0.33 0.93 -0.23 0.00 0.00 178.00 179.19 1pn3 h GLU 359 N 0.00 0.70 0.00 0.86 5.08 -1.92 -1.30 114.58 118.00 1pn3 h GLU 359 Ca 0.41 -0.33 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 1pn3 h GLU 359 Cb 1.92 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.14 1pn3 h GLU 359 CO -0.00 0.93 -0.95 0.82 -1.00 0.00 0.00 179.01 178.81 1pn3 h ILE 360 N 0.59 1.31 -0.06 3.13 2.04 -1.17 -2.94 117.51 120.41 1pn3 h ILE 360 Ca 0.06 -2.91 -0.14 0.00 1.00 0.00 0.00 64.86 62.87 1pn3 h ILE 360 Cb 0.84 2.63 -0.01 0.00 -0.74 0.00 0.00 36.82 39.54 1pn3 h ILE 360 CO 0.07 0.74 -0.58 0.03 0.00 0.00 0.00 178.15 178.41 1pn3 h ARG 361 N 0.00 0.20 -0.29 2.37 3.08 -1.27 -1.45 114.38 117.02 1pn3 h ARG 361 Ca -0.04 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1pn3 h ARG 361 Cb 1.67 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.72 1pn3 h ARG 361 CO 0.10 0.72 -0.12 0.00 -1.07 0.00 0.00 179.97 179.61 1pn3 h ALA 362 N 1.25 1.26 -0.00 0.04 0.00 -1.21 -1.56 119.26 119.03 1pn3 h ALA 362 Ca -0.00 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 1pn3 h ALA 362 Cb 1.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1pn3 h ALA 362 CO 0.09 0.49 -0.84 0.00 0.00 0.00 0.00 179.25 178.98 1pn3 h ARG 363 N 0.46 0.15 -0.44 0.00 3.08 -1.26 -2.35 114.38 114.02 1pn3 h ARG 363 Ca 0.09 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 1pn3 h ARG 363 Cb 0.48 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1pn3 h ARG 363 CO 0.03 0.90 -0.10 0.00 -1.07 0.00 0.00 179.97 179.73 1pn3 h ALA 364 N 1.04 0.60 -0.51 0.04 0.00 -0.84 -2.22 119.26 117.37 1pn3 h ALA 364 Ca -0.03 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1pn3 h ALA 364 Cb 1.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1pn3 h ALA 364 CO 0.12 0.48 0.06 1.15 0.00 0.00 0.00 179.25 181.06 1pn3 h THR 365 N 0.67 1.26 -0.24 0.00 2.02 -1.27 -1.44 112.91 113.91 1pn3 h THR 365 Ca 0.11 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 1pn3 h THR 365 Cb 0.64 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1pn3 h THR 365 CO 0.04 0.35 0.10 0.74 0.37 0.00 0.00 175.52 177.13 1pn3 h THR 366 N 0.74 1.16 -0.73 3.16 2.02 -1.36 -2.34 112.91 115.56 1pn3 h THR 366 Ca 0.15 -0.46 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 1pn3 h THR 366 Cb 0.44 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1pn3 h THR 366 CO 0.02 0.16 0.22 0.58 0.37 0.00 0.00 175.52 176.86 1pn3 h VAL 367 N 0.24 1.26 -0.96 3.16 2.07 -1.31 -2.38 116.25 118.33 1pn3 h VAL 367 Ca 0.08 -0.90 0.07 0.00 0.82 0.00 0.00 66.70 66.77 1pn3 h VAL 367 Cb 0.15 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 1pn3 h VAL 367 CO -0.01 0.35 0.61 0.00 0.02 0.00 0.00 177.57 178.54 1pn3 h ALA 368 N 1.16 1.35 0.00 1.67 0.00 -1.06 0.16 119.26 122.54 1pn3 h ALA 368 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1pn3 h ALA 368 Cb 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1pn3 h ALA 368 CO -0.01 0.35 0.00 -0.25 0.00 0.00 0.00 179.25 179.34 1pn3 n ASP 369 N -4.56 0.00 -0.00 0.00 10.43 -0.90 -1.81 116.55 119.71 1pn3 n ASP 369 Ca 0.15 0.01 0.01 0.00 2.57 0.00 0.00 54.79 57.53 1pn3 n ASP 369 Cb 0.21 -0.09 -0.02 0.00 1.84 0.00 0.00 41.12 43.06 1pn3 n ASP 369 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1pn3 n THR 370 N -1.09 0.00 -2.61 -3.53 -2.24 0.55 -5.03 114.28 100.33 1pn3 n THR 370 Ca 0.02 -0.39 -0.36 0.00 -2.27 0.00 0.00 64.05 61.06 1pn3 n THR 370 Cb 0.02 0.94 -0.05 0.00 -2.10 0.00 0.00 70.33 69.14 1pn3 n THR 370 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1pn3 s ILE 371 N -1.39 3.88 0.21 2.28 1.09 -0.75 -4.91 121.20 121.60 1pn3 s ILE 371 Ca 0.01 1.38 0.05 0.00 -1.10 0.00 0.00 60.65 60.99 1pn3 s ILE 371 Cb 0.02 -3.68 -0.03 0.00 -1.06 0.00 0.00 42.46 37.71 1pn3 s ILE 371 CO 0.13 -0.05 0.24 -0.13 -0.10 0.00 0.00 174.94 175.02 1pn3 s ARG 372 N -2.63 3.15 -0.03 2.79 1.81 -1.26 -5.02 118.95 117.75 1pn3 s ARG 372 Ca 0.59 -0.84 0.04 0.00 -1.72 0.00 0.00 55.73 53.80 1pn3 s ARG 372 Cb -0.19 -2.75 0.07 0.00 -0.45 0.00 0.00 34.95 31.63 1pn3 s ARG 372 CO 0.24 0.45 0.93 0.00 -0.68 0.00 0.00 175.30 176.24 1pn3 n ALA 373 N -0.89 1.85 -0.60 2.13 0.00 -1.26 -4.81 120.51 116.93 1pn3 n ALA 373 Ca -0.08 -1.27 0.08 0.00 0.00 0.00 0.00 53.44 52.17 1pn3 n ALA 373 Cb 0.56 -0.32 0.25 0.00 0.00 0.00 0.00 19.45 19.95 1pn3 n ALA 373 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pn3 n ASP 374 N -0.38 3.83 -0.28 0.00 5.75 -1.26 -4.74 116.55 119.46 1pn3 n ASP 374 Ca 0.04 -2.49 0.05 0.00 -0.01 0.00 0.00 54.79 52.37 1pn3 n ASP 374 Cb 0.60 -0.45 0.14 0.00 -1.03 0.00 0.00 41.12 40.38 1pn3 n ASP 374 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1pn3 h GLY 375 N 2.56 0.73 1.59 6.12 0.00 -1.67 0.68 103.07 113.08 1pn3 h GLY 375 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.47 1pn3 h GLY 375 CO 0.15 -0.33 -0.12 -0.91 0.00 0.00 0.00 176.54 175.33 1pn3 h THR 376 N 0.03 1.23 -0.11 4.70 1.35 -1.84 -0.03 112.91 118.24 1pn3 h THR 376 Ca 0.42 -1.01 -0.20 0.00 -0.55 0.00 0.00 66.41 65.07 1pn3 h THR 376 Cb 0.70 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1pn3 h THR 376 CO -0.80 0.33 -0.74 0.74 -0.25 0.00 0.00 175.52 174.80 1pn3 h THR 377 N 0.46 1.34 -0.64 6.82 2.02 -1.39 -0.02 112.91 121.49 1pn3 h THR 377 Ca 0.09 -2.06 -0.07 0.00 0.77 0.00 0.00 66.41 65.14 1pn3 h THR 377 Cb 0.49 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 1pn3 h THR 377 CO 0.03 0.63 0.13 0.58 0.37 0.00 0.00 175.52 177.26 1pn3 h VAL 378 N 0.38 1.26 -0.49 3.16 2.07 -0.62 -1.07 116.25 120.94 1pn3 h VAL 378 Ca -0.04 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 1pn3 h VAL 378 Cb 1.33 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1pn3 h VAL 378 CO 0.14 0.37 0.11 0.00 0.02 0.00 0.00 177.57 178.21 1pn3 h ALA 379 N 1.05 0.65 -0.09 1.67 0.00 -0.87 -2.36 119.26 119.30 1pn3 h ALA 379 Ca 0.20 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1pn3 h ALA 379 Cb 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1pn3 h ALA 379 CO 0.01 0.35 -0.01 0.00 0.00 0.00 0.00 179.25 179.59 1pn3 h ALA 380 N 0.98 0.07 -0.94 0.00 0.00 -0.63 -0.79 119.26 117.95 1pn3 h ALA 380 Ca 0.15 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.18 1pn3 h ALA 380 Cb 0.34 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1pn3 h ALA 380 CO 0.00 -0.48 0.58 0.37 0.00 0.00 0.00 179.25 179.72 1pn3 h GLN 381 N 0.01 0.96 -0.63 0.00 4.15 -1.13 0.11 115.11 118.59 1pn3 h GLN 381 Ca 0.04 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1pn3 h GLN 381 Cb 0.06 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 1pn3 h GLN 381 CO -0.08 0.63 0.35 -0.07 -1.93 0.00 0.00 178.83 177.73 1pn3 h LEU 382 N 0.99 0.78 -0.67 -2.39 3.38 -0.83 -0.97 115.31 115.60 1pn3 h LEU 382 Ca 0.44 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 1pn3 h LEU 382 Cb 0.32 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1pn3 h LEU 382 CO -0.22 0.65 0.20 -0.07 0.09 0.00 0.00 178.44 179.08 1pn3 h LEU 383 N 0.85 0.99 0.63 1.67 3.38 0.24 -0.08 115.31 123.00 1pn3 h LEU 383 Ca 0.22 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1pn3 h LEU 383 Cb 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1pn3 h LEU 383 CO -0.04 0.94 -0.41 -0.26 0.09 0.00 0.00 178.44 178.77 1pn3 h PHE 384 N 0.99 -1.08 -0.16 1.13 0.04 -0.40 -1.74 116.94 115.71 1pn3 h PHE 384 Ca 0.22 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.00 1pn3 h PHE 384 Cb 0.31 0.39 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 1pn3 h PHE 384 CO 0.02 -0.61 0.11 -0.44 -0.60 0.00 0.00 178.31 176.80 1pn3 h ASP 385 N -0.99 0.08 -0.19 2.17 3.32 -1.10 -0.88 116.42 118.84 1pn3 h ASP 385 Ca -0.08 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1pn3 h ASP 385 Cb 0.81 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1pn3 h ASP 385 CO 0.07 0.06 0.03 0.00 -1.72 0.00 0.00 179.24 177.67 1pn3 h ALA 386 N 1.91 0.25 0.32 3.45 0.00 -0.59 -2.07 119.26 122.53 1pn3 h ALA 386 Ca 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1pn3 h ALA 386 Cb 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1pn3 h ALA 386 CO -0.01 -0.08 -0.15 0.28 0.00 0.00 0.00 179.25 179.28 1pn3 h VAL 387 N 0.10 0.70 -0.97 0.00 2.07 -0.62 0.24 116.25 117.77 1pn3 h VAL 387 Ca 0.06 -0.24 0.17 0.00 0.82 0.00 0.00 66.70 67.51 1pn3 h VAL 387 Cb 0.31 0.83 -0.10 0.00 -1.52 0.00 0.00 31.29 30.82 1pn3 h VAL 387 CO 0.00 0.05 0.58 -1.28 0.02 0.00 0.00 177.57 176.94 1pn3 h SER 388 N -0.56 0.75 0.39 0.57 0.87 -1.17 -2.79 113.55 111.60 1pn3 h SER 388 Ca -0.04 0.09 -0.26 0.00 -1.23 0.00 0.00 61.79 60.35 1pn3 h SER 388 Cb 0.41 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.28 1pn3 h SER 388 CO 0.07 0.29 -1.83 0.18 -0.53 0.00 0.00 176.83 175.02 1pn3 n LEU 389 N -4.77 0.58 -4.31 2.23 4.77 -0.78 -4.66 117.00 110.06 1pn3 n LEU 389 Ca 0.22 0.27 -0.44 0.00 -0.03 0.00 0.00 56.01 56.02 1pn3 n LEU 389 Cb 0.52 0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.82 1pn3 n LEU 389 CO 0.22 0.32 0.72 -1.61 -1.33 0.00 0.00 177.39 175.71 1pn3 s GLU 390 N -2.72 4.07 0.00 3.23 2.02 0.83 -5.10 118.70 121.04 1pn3 s GLU 390 Ca -0.06 -3.22 0.00 0.00 0.02 0.00 0.00 54.97 51.71 1pn3 s GLU 390 Cb 0.08 -4.47 0.00 0.00 0.10 0.00 0.00 34.13 29.84 1pn3 s GLU 390 CO 0.83 -1.24 0.00 0.36 0.02 0.00 0.00 175.26 175.22