#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 0.49 0.00 2.12 3.52 -1.26 -1.84 118.95 121.98 1pn3 s ARG 2 Ca 0.00 -0.08 0.06 0.00 -0.13 0.00 0.00 55.73 55.58 1pn3 s ARG 2 Cb 0.00 -0.54 -0.02 0.00 -1.56 0.00 0.00 34.95 32.84 1pn3 s ARG 2 CO 0.00 -0.02 -0.19 0.08 -0.81 0.00 0.00 175.30 174.37 1pn3 s VAL 3 N 0.50 1.49 -0.13 7.11 1.01 0.60 -0.02 120.40 130.96 1pn3 s VAL 3 Ca -0.06 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 1pn3 s VAL 3 Cb -0.09 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1pn3 s VAL 3 CO -0.00 0.35 0.00 -0.22 0.00 0.00 0.00 175.10 175.22 1pn3 s LEU 4 N -0.63 3.52 -0.17 3.92 2.96 -0.08 -1.77 118.68 126.43 1pn3 s LEU 4 Ca 0.07 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1pn3 s LEU 4 Cb -0.08 -1.84 0.03 0.00 0.50 0.00 0.00 46.19 44.80 1pn3 s LEU 4 CO -0.00 0.26 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.51 1pn3 s ILE 5 N -0.20 1.77 0.17 6.68 1.01 -0.58 -0.94 121.20 129.11 1pn3 s ILE 5 Ca 0.05 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.96 1pn3 s ILE 5 Cb -0.12 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1pn3 s ILE 5 CO 0.02 0.44 -0.04 -0.89 0.00 0.00 0.00 174.94 174.47 1pn3 s THR 6 N 1.39 3.53 -0.25 2.92 2.01 0.95 -1.76 115.64 124.44 1pn3 s THR 6 Ca 0.04 -1.49 -0.37 0.00 0.31 0.00 0.00 61.69 60.18 1pn3 s THR 6 Cb -0.13 -2.76 0.15 0.00 0.01 0.00 0.00 72.50 69.77 1pn3 s THR 6 CO -0.11 -0.10 1.32 -0.83 -0.69 0.00 0.00 174.62 174.21 1pn3 s GLY 7 N -2.86 -0.22 -0.34 4.40 0.00 -1.03 -1.80 107.32 105.48 1pn3 s GLY 7 Ca 0.26 1.86 0.05 0.00 0.00 0.00 0.00 44.72 46.89 1pn3 s GLY 7 CO 0.17 0.63 0.65 0.00 0.00 0.00 0.00 173.10 174.55 1pn3 n GLY 9 N 4.96 1.04 2.55 0.00 0.00 -1.26 -1.97 105.19 110.52 1pn3 n GLY 9 Ca 0.08 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.33 -3.42 0.20 1.61 3.41 -1.26 -4.67 113.62 109.16 1pn3 n SER 10 Ca 0.00 -0.59 0.07 0.00 -0.26 0.00 0.00 58.87 58.09 1pn3 n SER 10 Cb 0.00 -0.75 0.39 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.00 0.00 4.33 2.43 -1.99 -2.00 114.38 117.15 1pn3 h ARG 11 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1pn3 h ARG 11 Cb 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1pn3 h ARG 11 CO 0.16 0.33 0.00 0.78 -1.51 0.00 0.00 179.97 179.73 1pn3 h GLY 12 N 1.88 0.00 1.14 2.80 0.00 -2.01 0.85 103.07 107.73 1pn3 h GLY 12 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1pn3 h GLY 12 CO 0.04 0.00 -1.18 -0.55 0.00 0.00 0.00 176.54 174.86 1pn3 h ASP 13 N 0.00 0.00 0.02 0.19 3.32 -1.66 -3.41 116.42 114.88 1pn3 h ASP 13 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1pn3 h ASP 13 Cb 0.48 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 1pn3 h ASP 13 CO 0.00 0.43 -2.02 0.41 -1.72 0.00 0.00 179.24 176.34 1pn3 n THR 14 N -2.89 1.57 -0.33 0.35 -1.04 -0.64 -4.44 114.28 106.86 1pn3 n THR 14 Ca -0.06 -0.35 0.17 0.00 -2.04 0.00 0.00 64.05 61.77 1pn3 n THR 14 Cb 0.76 -1.83 0.38 0.00 -1.82 0.00 0.00 70.33 67.82 1pn3 n THR 14 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1pn3 h GLU 15 N -0.63 0.44 -0.91 -2.82 4.39 -1.10 0.98 114.58 114.93 1pn3 h GLU 15 Ca -0.52 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.16 1pn3 h GLU 15 Cb 1.64 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 30.15 1pn3 h GLU 15 CO -0.20 0.29 0.59 -1.35 -1.16 0.00 0.00 179.01 177.18 1pn3 h PRO 16 N 0.45 1.20 -0.48 2.33 0.11 -1.79 -0.81 132.00 133.02 1pn3 h PRO 16 Ca 0.64 -0.08 -0.11 0.00 0.11 0.00 0.00 66.00 66.55 1pn3 h PRO 16 Cb 1.27 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1pn3 h PRO 16 CO -0.53 0.80 -0.15 -0.07 -0.21 0.00 0.00 178.00 177.85 1pn3 h LEU 17 N 1.24 0.96 -1.18 2.35 3.38 -1.05 -1.93 115.31 119.07 1pn3 h LEU 17 Ca 0.33 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1pn3 h LEU 17 Cb -0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.34 1pn3 h LEU 17 CO -0.07 1.11 0.03 0.58 0.09 0.00 0.00 178.44 180.18 1pn3 h VAL 18 N 0.79 1.20 -0.32 1.22 2.07 -0.99 -1.49 116.25 118.72 1pn3 h VAL 18 Ca 0.12 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 1pn3 h VAL 18 Cb 0.71 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1pn3 h VAL 18 CO 0.05 0.27 -0.06 0.00 0.02 0.00 0.00 177.57 177.86 1pn3 h ALA 19 N 1.47 0.44 -0.33 1.67 0.00 -0.85 -0.87 119.26 120.78 1pn3 h ALA 19 Ca 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1pn3 h ALA 19 Cb 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1pn3 h ALA 19 CO 0.01 0.25 0.19 1.25 0.00 0.00 0.00 179.25 180.95 1pn3 h LEU 20 N 0.39 0.41 -0.79 0.00 5.85 -1.01 -0.51 115.31 119.65 1pn3 h LEU 20 Ca 0.08 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1pn3 h LEU 20 Cb 0.54 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1pn3 h LEU 20 CO 0.03 0.36 0.25 0.00 -0.34 0.00 0.00 178.44 178.73 1pn3 h ALA 21 N 1.07 1.02 -0.70 1.25 0.00 -1.22 -0.02 119.26 120.66 1pn3 h ALA 21 Ca 0.12 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1pn3 h ALA 21 Cb 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1pn3 h ALA 21 CO -0.02 0.66 0.23 0.00 0.00 0.00 0.00 179.25 180.12 1pn3 h ALA 22 N 1.16 0.92 -0.45 0.00 0.00 -0.85 -2.53 119.26 117.50 1pn3 h ALA 22 Ca 0.24 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1pn3 h ALA 22 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1pn3 h ALA 22 CO -0.01 0.59 -0.24 -0.09 0.00 0.00 0.00 179.25 179.49 1pn3 h ARG 23 N 1.02 0.95 0.41 0.00 9.65 -0.72 -2.36 114.38 123.34 1pn3 h ARG 23 Ca 0.23 -0.41 -0.02 0.00 -1.10 0.00 0.00 59.98 58.67 1pn3 h ARG 23 Cb 0.29 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1pn3 h ARG 23 CO -0.01 1.08 -0.20 -0.07 2.80 0.00 0.00 179.97 183.57 1pn3 h LEU 24 N 0.81 -0.47 -0.78 3.80 3.38 -0.81 -1.29 115.31 119.96 1pn3 h LEU 24 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pn3 h LEU 24 Cb 0.81 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1pn3 h LEU 24 CO 0.07 -0.31 0.00 -2.11 0.09 0.00 0.00 178.44 176.18 1pn3 n ARG 25 N -5.31 0.20 0.09 1.13 1.85 -0.97 -1.29 116.66 112.36 1pn3 n ARG 25 Ca -0.11 0.44 -0.06 0.00 -1.00 0.00 0.00 57.85 57.13 1pn3 n ARG 25 Cb 0.24 -1.90 -0.02 0.00 -1.05 0.00 0.00 32.46 29.74 1pn3 n ARG 25 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1pn3 h GLU 26 N 0.00 0.03 -0.01 2.89 4.81 -0.82 -3.02 114.58 118.46 1pn3 h GLU 26 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1pn3 h GLU 26 Cb 0.36 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1pn3 h GLU 26 CO 0.00 0.88 -0.07 1.28 -0.73 0.00 0.00 179.01 180.37 1pn3 n LEU 27 N -3.54 0.90 0.00 1.64 4.77 -0.46 -4.91 117.00 115.41 1pn3 n LEU 27 Ca -0.01 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1pn3 n LEU 27 Cb 0.82 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1pn3 n LEU 27 CO 0.46 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1pn3 n GLY 28 N 1.20 2.60 3.58 -0.72 0.00 -1.00 -5.08 105.19 105.76 1pn3 n GLY 28 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.38 0.52 0.03 4.61 0.00 -0.41 -4.90 121.76 119.22 1pn3 s ALA 29 Ca 0.00 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.23 1pn3 s ALA 29 Cb 0.00 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 1pn3 s ALA 29 CO 0.00 -3.55 -0.24 0.34 0.00 0.00 0.00 175.76 172.31 1pn3 s ASP 30 N -3.72 2.87 -0.02 0.00 3.68 -0.77 -3.43 116.67 115.28 1pn3 s ASP 30 Ca 0.70 -0.52 -0.01 0.00 2.13 0.00 0.00 52.55 54.85 1pn3 s ASP 30 Cb -0.12 -0.27 0.02 0.00 -1.45 0.00 0.00 42.92 41.09 1pn3 s ASP 30 CO 0.57 0.24 0.04 0.00 0.13 0.00 0.00 175.17 176.16 1pn3 s ALA 31 N -0.72 -0.04 0.27 3.66 0.00 -1.26 -0.29 121.76 123.38 1pn3 s ALA 31 Ca 0.10 0.25 0.11 0.00 0.00 0.00 0.00 51.96 52.42 1pn3 s ALA 31 Cb -0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 1pn3 s ALA 31 CO 0.01 -0.07 -0.18 1.03 0.00 0.00 0.00 175.76 176.55 1pn3 s ARG 32 N 0.60 1.63 0.11 0.00 0.52 -0.73 -4.34 118.95 116.74 1pn3 s ARG 32 Ca -0.05 -1.75 0.03 0.00 -0.52 0.00 0.00 55.73 53.44 1pn3 s ARG 32 Cb -0.07 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.71 1pn3 s ARG 32 CO -0.02 0.29 -0.09 -1.64 0.02 0.00 0.00 175.30 173.86 1pn3 s MET 33 N -3.54 0.91 -0.25 3.54 -1.94 -0.88 -1.53 119.30 115.61 1pn3 s MET 33 Ca 0.29 -1.30 -0.02 0.00 -1.71 0.00 0.00 55.69 52.95 1pn3 s MET 33 Cb -0.04 -0.46 0.08 0.00 2.01 0.00 0.00 34.83 36.43 1pn3 s MET 33 CO 0.14 0.05 0.07 0.00 -0.01 0.00 0.00 175.02 175.27 1pn3 s LEU 35 N 1.81 1.81 0.66 0.00 1.43 -0.97 -2.47 118.68 120.96 1pn3 s LEU 35 Ca 0.04 -1.02 -0.17 0.00 -1.03 0.00 0.00 54.13 51.96 1pn3 s LEU 35 Cb -0.17 0.51 0.00 0.00 0.03 0.00 0.00 46.19 46.56 1pn3 s LEU 35 CO -0.18 -0.72 1.20 -2.16 0.23 0.00 0.00 176.35 174.72 1pn3 s PRO 36 N -3.97 2.56 0.64 1.29 0.04 -1.24 -0.60 135.00 133.72 1pn3 s PRO 36 Ca 0.15 1.76 0.16 0.00 0.04 0.00 0.00 61.00 63.11 1pn3 s PRO 36 Cb 0.07 -1.89 0.66 0.00 0.04 0.00 0.00 34.50 33.38 1pn3 s PRO 36 CO -0.04 -1.51 1.30 -1.35 0.04 0.00 0.00 177.00 175.45 1pn3 h PRO 37 N 0.24 0.00 -1.01 0.56 0.11 -1.77 -2.01 132.00 128.13 1pn3 h PRO 37 Ca -0.49 0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.80 1pn3 h PRO 37 Cb 1.29 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.30 1pn3 h PRO 37 CO 0.52 0.00 0.62 -0.44 -0.21 0.00 0.00 178.00 178.49 1pn3 h ASP 38 N 0.00 0.81 -0.50 -2.05 3.32 -1.87 -2.94 116.42 113.19 1pn3 h ASP 38 Ca 0.20 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1pn3 h ASP 38 Cb 2.11 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.60 1pn3 h ASP 38 CO -0.00 0.31 0.00 -1.22 -1.72 0.00 0.00 179.24 176.61 1pn3 n TYR 39 N -4.74 1.70 0.03 4.55 4.02 -0.76 -4.52 117.16 117.44 1pn3 n TYR 39 Ca 0.23 -0.60 -0.13 0.00 -0.01 0.00 0.00 57.90 57.39 1pn3 n TYR 39 Cb 0.54 -0.41 -0.08 0.00 -0.02 0.00 0.00 39.34 39.36 1pn3 n TYR 39 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1pn3 h VAL 40 N 3.44 1.12 -0.18 -0.72 -1.51 -1.74 -1.20 116.25 115.46 1pn3 h VAL 40 Ca 0.00 -0.49 0.03 0.00 -1.23 0.00 0.00 66.70 65.01 1pn3 h VAL 40 Cb 1.68 1.44 -0.03 0.00 -2.13 0.00 0.00 31.29 32.26 1pn3 h VAL 40 CO 0.38 0.12 0.01 -0.33 -1.23 0.00 0.00 177.57 176.53 1pn3 h GLU 41 N -0.26 0.08 -0.36 5.19 5.08 -1.85 -0.42 114.58 122.04 1pn3 h GLU 41 Ca -0.00 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1pn3 h GLU 41 Cb 0.24 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1pn3 h GLU 41 CO 0.01 0.05 0.07 -0.09 -1.00 0.00 0.00 179.01 178.05 1pn3 h ARG 42 N 0.08 0.18 -0.14 2.33 9.65 -1.84 0.24 114.38 124.88 1pn3 h ARG 42 Ca 0.08 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1pn3 h ARG 42 Cb 0.09 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 1pn3 h ARG 42 CO -0.13 0.12 0.08 0.00 2.80 0.00 0.00 179.97 182.85 1pn3 h ALA 44 N 1.00 1.61 -0.56 0.00 0.00 -0.82 0.29 119.26 120.78 1pn3 h ALA 44 Ca 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1pn3 h ALA 44 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1pn3 h ALA 44 CO -0.01 0.32 0.21 1.49 0.00 0.00 0.00 179.25 181.26 1pn3 h GLU 45 N 0.50 0.84 0.00 0.00 4.81 0.28 -2.61 114.58 118.40 1pn3 h GLU 45 Ca 0.13 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1pn3 h GLU 45 Cb 0.08 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1pn3 h GLU 45 CO -0.02 0.73 -0.31 0.28 -0.73 0.00 0.00 179.01 178.97 1pn3 n VAL 46 N -4.49 0.10 -1.27 0.32 0.31 -0.08 -4.95 118.33 108.26 1pn3 n VAL 46 Ca 0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1pn3 n VAL 46 Cb 0.17 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 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 1.46 0.60 3.36 2.92 0.00 0.90 -5.01 105.19 109.41 1pn3 n GLY 47 Ca 0.06 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 3.81 0.27 1.61 1.01 -0.50 -5.01 120.40 119.59 1pn3 s VAL 48 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1pn3 s VAL 48 Cb 0.00 -2.83 -0.13 0.00 0.00 0.00 0.00 36.38 33.42 1pn3 s VAL 48 CO 0.00 0.29 1.42 -0.81 0.00 0.00 0.00 175.10 175.99 1pn3 n PRO 49 N 4.85 2.18 -3.83 2.72 -0.04 -1.26 -4.39 135.00 135.23 1pn3 n PRO 49 Ca -0.16 0.77 -0.12 0.00 -0.04 0.00 0.00 63.50 63.95 1pn3 n PRO 49 Cb 0.50 -2.44 -0.11 0.00 -0.04 0.00 0.00 33.50 31.41 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 -0.76 0.38 -0.20 0.54 1.75 -1.26 -2.06 119.30 117.69 1pn3 s MET 50 Ca 0.64 -0.09 -0.04 0.00 -1.25 0.00 0.00 55.69 54.95 1pn3 s MET 50 Cb -0.60 0.17 -0.02 0.00 2.84 0.00 0.00 34.83 37.22 1pn3 s MET 50 CO 0.52 -0.08 -0.03 0.08 -0.65 0.00 0.00 175.02 174.86 1pn3 s VAL 51 N -0.72 3.69 -0.20 10.11 1.01 0.48 -4.93 120.40 129.83 1pn3 s VAL 51 Ca -0.08 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 1pn3 s VAL 51 Cb -0.05 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1pn3 s VAL 51 CO 0.01 0.44 1.23 -2.16 0.00 0.00 0.00 175.10 174.62 1pn3 s PRO 52 N 1.06 4.18 -0.07 2.72 0.04 -1.26 -2.30 135.00 139.36 1pn3 s PRO 52 Ca 0.01 1.52 0.03 0.00 0.04 0.00 0.00 61.00 62.61 1pn3 s PRO 52 Cb -0.15 -3.76 0.01 0.00 0.04 0.00 0.00 34.50 30.64 1pn3 s PRO 52 CO 0.01 -0.77 -0.16 0.08 0.04 0.00 0.00 177.00 176.19 1pn3 s VAL 53 N 3.61 1.43 0.00 -0.36 1.01 0.23 -4.86 120.40 121.45 1pn3 s VAL 53 Ca 0.53 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1pn3 s VAL 53 Cb -0.19 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1pn3 s VAL 53 CO 0.15 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1pn3 n GLY 54 N 3.62 -1.01 3.82 4.51 0.00 -1.26 -3.64 105.19 111.23 1pn3 n GLY 54 Ca -0.21 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 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 1.41 0.21 1.61 0.52 -1.26 -4.43 118.95 117.02 1pn3 s ARG 55 Ca 0.00 0.25 -0.25 0.00 -0.52 0.00 0.00 55.73 55.20 1pn3 s ARG 55 Cb 0.00 -1.87 -0.08 0.00 0.52 0.00 0.00 34.95 33.51 1pn3 s ARG 55 CO 0.00 -2.00 0.82 0.00 0.02 0.00 0.00 175.30 174.14 1pn3 s ALA 56 N -3.36 3.39 0.07 2.13 0.00 -1.26 -4.29 121.76 118.43 1pn3 s ALA 56 Ca 0.63 0.40 -0.09 0.00 0.00 0.00 0.00 51.96 52.91 1pn3 s ALA 56 Cb -0.14 -3.02 -0.28 0.00 0.00 0.00 0.00 23.12 19.69 1pn3 s ALA 56 CO 0.52 0.27 1.12 0.28 0.00 0.00 0.00 175.76 177.95 1pn3 h VAL 57 N 3.10 1.40 -3.33 0.00 2.07 -1.93 -3.41 116.25 114.15 1pn3 h VAL 57 Ca -0.47 -2.79 -0.57 0.00 0.82 0.00 0.00 66.70 63.70 1pn3 h VAL 57 Cb 1.20 2.85 -0.06 0.00 -1.52 0.00 0.00 31.29 33.77 1pn3 h VAL 57 CO 0.66 0.83 0.33 -0.60 0.02 0.00 0.00 177.57 178.80 1pn3 s ARG 58 N -2.79 4.36 0.14 1.57 3.52 -1.26 -4.91 118.95 119.59 1pn3 s ARG 58 Ca -0.06 1.04 -0.29 0.00 -0.13 0.00 0.00 55.73 56.29 1pn3 s ARG 58 Cb 0.06 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 1pn3 s ARG 58 CO 0.91 -0.21 1.57 0.00 -0.81 0.00 0.00 175.30 176.76 1pn3 h ALA 59 N 7.14 -0.55 0.00 6.12 0.00 -1.94 -1.74 119.26 128.29 1pn3 h ALA 59 Ca -0.33 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1pn3 h ALA 59 Cb 1.16 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1pn3 h ALA 59 CO 0.81 -0.92 0.00 0.41 0.00 0.00 0.00 179.25 179.55 1pn3 n GLY 60 N -1.42 0.00 0.37 0.00 0.00 -1.26 -0.32 105.19 102.57 1pn3 n GLY 60 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1pn3 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn3 n ALA 61 N -0.27 2.16 -2.21 4.61 0.00 -0.65 -5.07 120.51 119.07 1pn3 n ALA 61 Ca 0.00 -1.74 -0.12 0.00 0.00 0.00 0.00 53.44 51.58 1pn3 n ALA 61 Cb 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.20 1.12 0.49 0.00 0.52 0.56 -4.80 118.95 115.64 1pn3 s ARG 62 Ca 0.15 -1.56 -0.23 0.00 -0.52 0.00 0.00 55.73 53.56 1pn3 s ARG 62 Cb 0.13 0.06 -0.07 0.00 0.52 0.00 0.00 34.95 35.60 1pn3 s ARG 62 CO 0.00 -0.28 1.32 -1.21 0.02 0.00 0.00 175.30 175.16 1pn3 s GLU 63 N -4.05 3.51 0.48 3.54 0.41 -1.26 -4.86 118.70 116.46 1pn3 s GLU 63 Ca 0.30 2.15 0.35 0.00 -0.41 0.00 0.00 54.97 57.36 1pn3 s GLU 63 Cb 0.07 -2.44 1.49 0.00 -1.78 0.00 0.00 34.13 31.47 1pn3 s GLU 63 CO 0.07 -0.87 1.64 -1.35 -0.49 0.00 0.00 175.26 174.26 1pn3 h PRO 64 N 1.94 0.07 -0.01 0.39 0.11 -2.01 -1.70 132.00 130.80 1pn3 h PRO 64 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1pn3 h PRO 64 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1pn3 h PRO 64 CO 0.59 0.05 -0.36 0.41 -0.21 0.00 0.00 178.00 178.48 1pn3 n GLY 65 N -1.64 -0.09 3.58 -0.55 0.00 -1.26 -4.91 105.19 100.32 1pn3 n GLY 65 Ca 0.37 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1pn3 n GLY 65 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pn3 s GLU 66 N -1.90 3.49 1.00 1.61 -1.05 -0.64 -4.99 118.70 116.22 1pn3 s GLU 66 Ca 0.12 0.35 -0.14 0.00 -0.15 0.00 0.00 54.97 55.16 1pn3 s GLU 66 Cb 0.12 -4.03 0.09 0.00 -0.44 0.00 0.00 34.13 29.87 1pn3 s GLU 66 CO 0.41 -1.71 0.47 1.28 0.95 0.00 0.00 175.26 176.67 1pn3 n LEU 67 N 8.65 -0.30 -4.75 1.83 4.77 -1.26 -4.79 117.00 121.15 1pn3 n LEU 67 Ca 0.10 0.20 -0.31 0.00 -0.03 0.00 0.00 56.01 55.96 1pn3 n LEU 67 Cb 0.49 -1.19 0.10 0.00 -2.33 0.00 0.00 43.42 40.48 1pn3 n LEU 67 CO 0.71 -3.27 0.71 -2.16 -1.33 0.00 0.00 177.39 172.05 1pn3 s PRO 68 N -3.80 2.16 0.55 3.23 0.04 -1.26 -4.92 135.00 131.00 1pn3 s PRO 68 Ca 0.59 1.27 0.30 0.00 0.04 0.00 0.00 61.00 63.20 1pn3 s PRO 68 Cb -0.20 -1.88 1.62 0.00 0.04 0.00 0.00 34.50 34.08 1pn3 s PRO 68 CO 0.66 -1.73 2.13 -1.00 0.04 0.00 0.00 177.00 177.10 1pn3 h PRO 69 N -1.04 0.00 0.00 0.56 0.13 -1.90 -1.32 132.00 128.43 1pn3 h PRO 69 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1pn3 h PRO 69 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1pn3 h PRO 69 CO 0.50 0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 1pn3 n GLY 70 N -0.80 -1.35 3.66 1.56 0.00 -1.26 -4.75 105.19 102.25 1pn3 n GLY 70 Ca -0.02 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1pn3 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn3 s ALA 71 N -2.72 3.62 0.15 4.61 0.00 -0.50 -4.91 121.76 122.02 1pn3 s ALA 71 Ca 0.23 1.00 -0.28 0.00 0.00 0.00 0.00 51.96 52.92 1pn3 s ALA 71 Cb 0.20 -3.74 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 1pn3 s ALA 71 CO 0.48 -1.35 1.57 0.00 0.00 0.00 0.00 175.76 176.46 1pn3 h ALA 72 N 9.40 -0.47 -0.24 0.00 0.00 -1.88 -1.94 119.26 124.12 1pn3 h ALA 72 Ca -0.40 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1pn3 h ALA 72 Cb 1.19 0.92 -0.05 0.00 0.00 0.00 0.00 17.79 19.85 1pn3 h ALA 72 CO 0.95 -0.89 -0.06 0.39 0.00 0.00 0.00 179.25 179.64 1pn3 n GLU 73 N -5.41 -0.02 -0.59 0.00 4.71 -1.26 0.95 120.64 119.01 1pn3 n GLU 73 Ca -0.01 0.38 0.08 0.00 -0.01 0.00 0.00 57.16 57.60 1pn3 n GLU 73 Cb 0.35 -0.57 0.31 0.00 -1.01 0.00 0.00 31.44 30.53 1pn3 n GLU 73 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1pn3 n VAL 74 N -4.39 2.21 -0.08 2.62 3.14 -0.74 -4.73 118.33 116.36 1pn3 n VAL 74 Ca 0.04 -1.51 -0.07 0.00 -2.96 0.00 0.00 64.34 59.85 1pn3 n VAL 74 Cb 0.12 -0.10 -0.00 0.00 -1.06 0.00 0.00 33.84 32.79 1pn3 n VAL 74 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1pn3 h VAL 75 N 2.98 0.65 -0.68 1.55 2.07 0.65 -2.21 116.25 121.26 1pn3 h VAL 75 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1pn3 h VAL 75 Cb 1.54 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 31.88 1pn3 h VAL 75 CO 0.28 0.00 0.29 0.71 0.02 0.00 0.00 177.57 178.87 1pn3 h THR 76 N -0.03 0.77 -0.65 2.57 1.35 -1.85 0.24 112.91 115.31 1pn3 h THR 76 Ca 0.15 -0.17 0.10 0.00 -0.55 0.00 0.00 66.41 65.94 1pn3 h THR 76 Cb 0.26 0.24 -0.04 0.00 -1.73 0.00 0.00 68.15 66.88 1pn3 h THR 76 CO -0.33 0.09 0.44 -0.08 -0.25 0.00 0.00 175.52 175.38 1pn3 h GLU 77 N 0.49 0.46 0.06 4.72 4.81 -1.77 -1.79 114.58 121.56 1pn3 h GLU 77 Ca 0.35 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1pn3 h GLU 77 Cb 0.44 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1pn3 h GLU 77 CO -0.32 0.31 -0.03 0.28 -0.73 0.00 0.00 179.01 178.52 1pn3 h VAL 78 N 0.48 0.00 -0.95 0.32 2.07 -0.21 0.69 116.25 118.66 1pn3 h VAL 78 Ca 0.30 -0.02 0.32 0.00 0.82 0.00 0.00 66.70 68.12 1pn3 h VAL 78 Cb 0.55 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.14 1pn3 h VAL 78 CO -0.09 0.00 0.23 0.52 0.02 0.00 0.00 177.57 178.25 1pn3 n VAL 79 N -2.29 -0.40 -0.02 2.57 0.31 -0.68 0.81 118.33 118.63 1pn3 n VAL 79 Ca -0.01 2.02 -0.12 0.00 -0.01 0.00 0.00 64.34 66.22 1pn3 n VAL 79 Cb 0.03 -3.08 -0.06 0.00 -0.91 0.00 0.00 33.84 29.82 1pn3 n VAL 79 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pn3 h ALA 80 N 1.89 0.14 -0.29 3.52 0.00 -1.28 -2.83 119.26 120.41 1pn3 h ALA 80 Ca 0.67 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.51 1pn3 h ALA 80 Cb 1.59 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 1pn3 h ALA 80 CO -0.82 -0.25 -0.01 1.49 0.00 0.00 0.00 179.25 179.66 1pn3 h GLU 81 N -0.02 0.07 0.78 0.00 4.57 0.29 -2.48 114.58 117.78 1pn3 h GLU 81 Ca 0.03 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1pn3 h GLU 81 Cb 0.22 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1pn3 h GLU 81 CO -0.00 0.05 -0.37 -1.49 -1.18 0.00 0.00 179.01 176.01 1pn3 h TRP 82 N 0.07 -0.97 -0.16 0.92 4.06 -1.45 -0.97 115.95 117.46 1pn3 h TRP 82 Ca 0.14 -0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.11 1pn3 h TRP 82 Cb 0.19 0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 28.67 1pn3 h TRP 82 CO -0.23 -0.59 0.73 0.74 -3.56 0.00 0.00 178.44 175.54 1pn3 h PHE 83 N -1.17 0.00 0.05 0.49 0.04 -1.44 0.15 116.94 115.06 1pn3 h PHE 83 Ca -0.11 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.44 1pn3 h PHE 83 Cb 0.82 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.95 1pn3 h PHE 83 CO -0.00 0.00 -1.21 0.22 -0.60 0.00 0.00 178.31 176.71 1pn3 h ASP 84 N 0.00 0.16 0.39 2.17 3.58 -0.91 -3.42 116.42 118.38 1pn3 h ASP 84 Ca 0.08 -0.72 -0.25 0.00 0.42 0.00 0.00 57.03 56.55 1pn3 h ASP 84 Cb 1.53 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 42.49 1pn3 h ASP 84 CO -0.00 1.50 -1.81 0.29 -2.88 0.00 0.00 179.24 176.34 1pn3 n LYS 85 N -4.20 0.65 -0.14 0.28 5.02 0.33 -4.49 118.16 115.61 1pn3 n LYS 85 Ca -0.27 0.16 -0.04 0.00 -2.02 0.00 0.00 58.31 56.13 1pn3 n LYS 85 Cb 0.76 -1.71 0.04 0.00 -0.02 0.00 0.00 35.03 34.11 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 0.00 0.85 -0.40 -0.18 2.07 -1.25 -3.29 116.25 114.05 1pn3 h VAL 86 Ca -0.30 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.15 1pn3 h VAL 86 Cb 1.87 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 1pn3 h VAL 86 CO 0.05 0.06 -0.23 -2.65 0.02 0.00 0.00 177.57 174.81 1pn3 n PRO 87 N -5.02 -0.17 -0.23 1.57 -0.02 -1.26 0.76 135.00 130.62 1pn3 n PRO 87 Ca 0.04 0.89 0.30 0.00 -2.02 0.00 0.00 63.50 62.70 1pn3 n PRO 87 Cb 0.17 -1.32 0.71 0.00 -0.02 0.00 0.00 33.50 33.05 1pn3 n PRO 87 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pn3 h ALA 88 N -0.09 2.87 0.08 3.55 0.00 -1.87 -1.68 119.26 122.12 1pn3 h ALA 88 Ca 0.06 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 1pn3 h ALA 88 Cb 0.16 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1pn3 h ALA 88 CO -0.37 -1.15 -1.47 0.00 0.00 0.00 0.00 179.25 176.26 1pn3 h ALA 89 N 1.52 0.26 0.00 0.00 0.00 0.18 -3.36 119.26 117.86 1pn3 h ALA 89 Ca 0.47 -1.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 1pn3 h ALA 89 Cb 1.83 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 20.21 1pn3 h ALA 89 CO -0.03 0.88 -0.13 0.97 0.00 0.00 0.00 179.25 180.94 1pn3 h ILE 90 N -0.43 0.44 -3.09 0.00 2.10 -0.37 -3.44 117.51 112.73 1pn3 h ILE 90 Ca -0.34 -0.73 -0.54 0.00 1.08 0.00 0.00 64.86 64.33 1pn3 h ILE 90 Cb 1.67 1.51 0.08 0.00 -1.09 0.00 0.00 36.82 39.00 1pn3 h ILE 90 CO -0.01 0.13 0.84 -0.62 -1.08 0.00 0.00 178.15 177.41 1pn3 n GLU 91 N -3.42 2.57 -0.92 2.19 1.02 -0.67 -1.37 120.64 120.03 1pn3 n GLU 91 Ca -0.01 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 58.05 1pn3 n GLU 91 Cb 0.31 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.05 1pn3 n GLU 91 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pn3 n GLY 92 N 2.34 0.64 3.93 0.62 0.00 -1.26 -5.03 105.19 106.43 1pn3 n GLY 92 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1pn3 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn3 n ASP 94 N -0.93 1.72 -3.52 0.00 8.00 0.98 -4.93 116.55 117.88 1pn3 n ASP 94 Ca -0.05 -0.28 -0.13 0.00 0.71 0.00 0.00 54.79 55.04 1pn3 n ASP 94 Cb 0.54 1.32 -0.04 0.00 -0.02 0.00 0.00 41.12 42.92 1pn3 n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pn3 s ALA 95 N -2.50 -1.79 -0.05 2.24 0.00 -1.19 -3.89 121.76 114.57 1pn3 s ALA 95 Ca -0.01 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.19 1pn3 s ALA 95 Cb 0.08 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 1pn3 s ALA 95 CO 0.46 -0.47 -0.18 0.08 0.00 0.00 0.00 175.76 175.65 1pn3 s VAL 96 N -1.92 1.48 -0.10 0.00 1.01 -0.52 -0.91 120.40 119.45 1pn3 s VAL 96 Ca -0.04 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1pn3 s VAL 96 Cb -0.00 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1pn3 s VAL 96 CO 0.01 0.43 -0.16 -0.69 0.00 0.00 0.00 175.10 174.69 1pn3 s VAL 97 N 0.09 1.50 0.25 2.92 1.01 -0.12 -0.66 120.40 125.39 1pn3 s VAL 97 Ca -0.05 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1pn3 s VAL 97 Cb -0.12 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1pn3 s VAL 97 CO 0.03 0.44 0.13 0.28 0.00 0.00 0.00 175.10 175.97 1pn3 s THR 98 N 0.81 0.27 0.03 3.92 -1.32 -0.34 -0.03 115.64 118.97 1pn3 s THR 98 Ca -0.10 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.10 1pn3 s THR 98 Cb -0.16 -2.56 0.10 0.00 -1.51 0.00 0.00 72.50 68.37 1pn3 s THR 98 CO 0.01 0.00 0.85 0.28 -2.21 0.00 0.00 174.62 173.55 1pn3 s THR 99 N -3.88 0.00 0.00 5.08 -1.32 -0.74 -2.06 115.64 112.72 1pn3 s THR 99 Ca 0.38 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.83 1pn3 s THR 99 Cb 0.07 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 1pn3 s THR 99 CO 0.14 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.16 1pn3 n GLY 100 N -0.27 -1.32 1.05 6.08 0.00 -1.26 -2.84 105.19 106.62 1pn3 n GLY 100 Ca -0.10 -1.58 -0.18 0.00 0.00 0.00 0.00 46.02 44.16 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 0.21 -0.24 0.99 7.94 -0.83 -4.72 117.00 120.36 1pn3 n LEU 101 Ca 0.00 0.19 0.02 0.00 -1.11 0.00 0.00 56.01 55.11 1pn3 n LEU 101 Cb 0.00 -0.29 0.15 0.00 0.53 0.00 0.00 43.42 43.81 1pn3 n LEU 101 CO 0.00 -0.24 1.03 0.25 -1.11 0.00 0.00 177.39 177.32 1pn3 h LEU 102 N 3.02 0.36 -0.40 -1.96 5.85 -1.92 -1.30 115.31 118.95 1pn3 h LEU 102 Ca -0.03 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1pn3 h LEU 102 Cb 0.45 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.41 1pn3 h LEU 102 CO 0.36 0.19 -0.32 -0.65 -0.34 0.00 0.00 178.44 177.68 1pn3 h PRO 103 N 0.51 -0.24 -0.30 5.25 0.11 -1.98 0.11 132.00 135.47 1pn3 h PRO 103 Ca 0.36 0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.37 1pn3 h PRO 103 Cb 0.45 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1pn3 h PRO 103 CO -0.32 -0.16 -0.28 0.00 -0.21 0.00 0.00 178.00 177.03 1pn3 h ALA 104 N 0.78 0.94 -0.52 -0.75 0.00 -1.85 -1.97 119.26 115.90 1pn3 h ALA 104 Ca 0.18 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1pn3 h ALA 104 Cb 0.53 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1pn3 h ALA 104 CO -0.54 0.61 0.23 0.00 0.00 0.00 0.00 179.25 179.55 1pn3 h ALA 105 N 1.16 0.66 -0.10 0.00 0.00 0.03 0.11 119.26 121.11 1pn3 h ALA 105 Ca 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1pn3 h ALA 105 Cb 0.76 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1pn3 h ALA 105 CO 0.06 -0.15 0.01 0.28 0.00 0.00 0.00 179.25 179.46 1pn3 h VAL 106 N 0.44 1.23 -0.84 0.00 2.07 -0.67 -0.65 116.25 117.82 1pn3 h VAL 106 Ca 0.24 -0.71 0.14 0.00 0.82 0.00 0.00 66.70 67.19 1pn3 h VAL 106 Cb 0.21 1.51 -0.09 0.00 -1.52 0.00 0.00 31.29 31.39 1pn3 h VAL 106 CO -0.21 0.20 0.43 0.00 0.02 0.00 0.00 177.57 178.02 1pn3 h ALA 107 N 0.77 1.25 -0.22 1.67 0.00 -0.79 -0.48 119.26 121.47 1pn3 h ALA 107 Ca 0.03 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1pn3 h ALA 107 Cb 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1pn3 h ALA 107 CO 0.00 -0.07 -0.13 0.28 0.00 0.00 0.00 179.25 179.34 1pn3 h VAL 108 N 0.63 1.31 -1.01 0.00 2.07 -0.57 -2.86 116.25 115.83 1pn3 h VAL 108 Ca 0.45 -1.22 0.10 0.00 0.82 0.00 0.00 66.70 66.85 1pn3 h VAL 108 Cb 0.61 1.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.94 1pn3 h VAL 108 CO -0.35 0.37 0.64 -0.09 0.02 0.00 0.00 177.57 178.17 1pn3 h ARG 109 N 0.17 1.05 0.25 1.57 9.65 -0.35 -1.75 114.38 124.96 1pn3 h ARG 109 Ca 0.05 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1pn3 h ARG 109 Cb 0.63 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 1pn3 h ARG 109 CO 0.04 0.69 -0.37 0.77 2.80 0.00 0.00 179.97 183.89 1pn3 h SER 110 N 1.08 -1.07 -0.25 -3.80 0.02 -0.95 -0.09 113.55 108.49 1pn3 h SER 110 Ca 0.47 0.10 0.07 0.00 -0.84 0.00 0.00 61.79 61.59 1pn3 h SER 110 Cb 0.35 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1pn3 h SER 110 CO -0.23 -0.45 0.26 0.24 -1.14 0.00 0.00 176.83 175.52 1pn3 h MET 111 N -0.65 0.00 0.00 3.45 2.86 -1.19 0.74 114.93 120.14 1pn3 h MET 111 Ca -0.03 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 1pn3 h MET 111 Cb 0.60 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1pn3 h MET 111 CO -0.12 0.00 -0.51 0.00 1.06 0.00 0.00 176.91 177.35 1pn3 h ALA 112 N 1.71 0.75 -0.07 6.32 0.00 -0.59 -2.93 119.26 124.45 1pn3 h ALA 112 Ca 0.12 -0.46 -0.23 0.00 0.00 0.00 0.00 54.91 54.34 1pn3 h ALA 112 Cb 0.65 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1pn3 h ALA 112 CO -0.00 0.63 -0.84 1.49 0.00 0.00 0.00 179.25 180.54 1pn3 h GLU 113 N 0.00 0.70 -0.03 0.00 4.81 0.23 -0.83 114.58 119.46 1pn3 h GLU 113 Ca -0.01 -0.65 -0.05 0.00 -0.13 0.00 0.00 59.36 58.52 1pn3 h GLU 113 Cb 1.25 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 1pn3 h GLU 113 CO 0.07 1.25 -0.23 -0.22 -0.73 0.00 0.00 179.01 179.14 1pn3 h LYS 114 N 0.38 0.05 0.00 1.92 1.63 -1.16 -2.82 116.57 116.56 1pn3 h LYS 114 Ca -0.08 -0.01 -0.24 0.00 -0.85 0.00 0.00 60.65 59.47 1pn3 h LYS 114 Cb 1.49 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 33.07 1pn3 h LYS 114 CO 0.17 0.28 -1.29 -0.07 -3.45 0.00 0.00 179.45 175.09 1pn3 h LEU 115 N 0.04 0.00 0.00 5.20 3.38 -1.47 -3.48 115.31 118.99 1pn3 h LEU 115 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pn3 h LEU 115 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1pn3 h LEU 115 CO 0.03 0.95 0.00 0.61 0.09 0.00 0.00 178.44 180.12 1pn3 n GLY 116 N 1.43 0.79 3.87 0.83 0.00 -0.41 -5.07 105.19 106.63 1pn3 n GLY 116 Ca -0.07 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 5.11 0.55 -0.61 -4.36 -0.65 -4.82 121.20 114.42 1pn3 s ILE 117 Ca 0.00 0.45 -0.21 0.00 -0.26 0.00 0.00 60.65 60.63 1pn3 s ILE 117 Cb 0.00 -3.64 -0.05 0.00 1.25 0.00 0.00 42.46 40.02 1pn3 s ILE 117 CO 0.00 0.31 1.26 -2.16 0.24 0.00 0.00 174.94 174.59 1pn3 s PRO 118 N -1.85 3.20 0.04 0.37 0.04 -1.25 -4.51 135.00 131.05 1pn3 s PRO 118 Ca 0.32 1.97 0.06 0.00 0.04 0.00 0.00 61.00 63.40 1pn3 s PRO 118 Cb -0.14 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 1pn3 s PRO 118 CO 0.18 -1.06 -0.18 -0.47 0.04 0.00 0.00 177.00 175.51 1pn3 s TYR 119 N -1.46 1.56 -0.03 0.56 6.14 -1.26 -1.44 117.35 121.42 1pn3 s TYR 119 Ca 0.72 -0.36 -0.01 0.00 0.64 0.00 0.00 57.07 58.06 1pn3 s TYR 119 Cb -0.34 -0.93 0.03 0.00 0.42 0.00 0.00 41.96 41.14 1pn3 s TYR 119 CO 0.39 0.07 0.05 1.03 0.64 0.00 0.00 175.55 177.73 1pn3 s ARG 120 N -1.15 -0.00 -0.05 4.97 1.81 0.17 -4.96 118.95 119.74 1pn3 s ARG 120 Ca 0.05 0.19 -0.00 0.00 -1.72 0.00 0.00 55.73 54.25 1pn3 s ARG 120 Cb -0.08 -0.18 -0.03 0.00 -0.45 0.00 0.00 34.95 34.20 1pn3 s ARG 120 CO 0.02 -0.13 -0.00 -0.47 -0.68 0.00 0.00 175.30 174.03 1pn3 s TYR 121 N 0.87 3.11 0.03 -0.53 5.04 -1.26 -1.20 117.35 123.42 1pn3 s TYR 121 Ca -0.07 0.13 0.06 0.00 -2.44 0.00 0.00 57.07 54.75 1pn3 s TYR 121 Cb -0.10 -1.73 -0.02 0.00 0.35 0.00 0.00 41.96 40.45 1pn3 s TYR 121 CO -0.03 0.45 -0.16 -0.08 -1.34 0.00 0.00 175.55 174.39 1pn3 s THR 122 N -0.96 1.28 0.19 4.34 -1.32 -0.87 0.00 115.64 118.30 1pn3 s THR 122 Ca 0.16 -1.02 0.08 0.00 -1.21 0.00 0.00 61.69 59.70 1pn3 s THR 122 Cb -0.11 -1.13 -0.04 0.00 -1.51 0.00 0.00 72.50 69.70 1pn3 s THR 122 CO 0.05 0.10 -0.04 0.68 -2.21 0.00 0.00 174.62 173.21 1pn3 s VAL 123 N -0.78 3.48 -1.22 5.08 -7.23 0.23 -4.63 120.40 115.33 1pn3 s VAL 123 Ca 0.04 -1.58 0.18 0.00 -1.81 0.00 0.00 61.98 58.81 1pn3 s VAL 123 Cb -0.08 -2.76 -0.10 0.00 0.56 0.00 0.00 36.38 34.00 1pn3 s VAL 123 CO 0.01 -0.15 0.83 0.18 -0.31 0.00 0.00 175.10 175.67 1pn3 n LEU 124 N -0.16 1.27 -3.88 1.32 4.77 -1.26 -1.63 117.00 117.42 1pn3 n LEU 124 Ca -0.10 -0.62 -0.12 0.00 -0.03 0.00 0.00 56.01 55.14 1pn3 n LEU 124 Cb 0.56 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.51 1pn3 n LEU 124 CO 0.37 0.27 -0.37 -0.55 -1.33 0.00 0.00 177.39 175.79 1pn3 s SER 125 N -2.39 0.08 0.17 -1.43 0.15 -1.26 -4.63 113.70 104.40 1pn3 s SER 125 Ca 0.11 -0.02 -0.17 0.00 0.70 0.00 0.00 55.95 56.56 1pn3 s SER 125 Cb 0.14 -0.01 0.10 0.00 -1.71 0.00 0.00 66.02 64.54 1pn3 s SER 125 CO 0.60 0.00 1.66 -0.65 1.20 0.00 0.00 173.24 176.05 1pn3 h PRO 126 N 6.11 -0.02 0.00 5.44 0.11 -1.90 -2.05 132.00 139.69 1pn3 h PRO 126 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1pn3 h PRO 126 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pn3 h PRO 126 CO 0.51 -0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 177.88 1pn3 n ASP 127 N -5.32 0.00 -0.06 -2.05 5.75 -1.26 0.01 116.55 113.62 1pn3 n ASP 127 Ca 0.02 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.86 1pn3 n ASP 127 Cb 0.23 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.27 1pn3 n ASP 127 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1pn3 n HIS 128 N -0.76 0.00 -2.04 2.11 8.25 -0.77 -4.83 115.22 117.18 1pn3 n HIS 128 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1pn3 n HIS 128 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 -2.38 4.34 0.62 2.41 1.43 0.10 -4.84 118.68 120.37 1pn3 s LEU 129 Ca 0.06 2.30 0.25 0.00 -1.03 0.00 0.00 54.13 55.70 1pn3 s LEU 129 Cb 0.09 -3.55 1.35 0.00 0.03 0.00 0.00 46.19 44.10 1pn3 s LEU 129 CO 0.44 -0.85 1.75 1.55 0.23 0.00 0.00 176.35 179.47 1pn3 h PRO 130 N 8.57 0.00 0.00 1.29 0.13 -1.92 0.80 132.00 140.87 1pn3 h PRO 130 Ca -0.40 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 1pn3 h PRO 130 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1pn3 h PRO 130 CO 0.93 0.00 -0.04 0.66 -0.23 0.00 0.00 178.00 179.32 1pn3 h SER 131 N 0.00 0.00 -0.02 1.44 4.64 -1.88 -1.97 113.55 115.77 1pn3 h SER 131 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pn3 h SER 131 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1pn3 h SER 131 CO 0.00 0.04 -0.01 -0.62 -0.87 0.00 0.00 176.83 175.38 1pn3 n GLU 132 N -3.16 1.89 -3.50 4.77 1.02 0.28 -4.63 120.64 117.32 1pn3 n GLU 132 Ca 0.01 -1.31 -0.28 0.00 -0.02 0.00 0.00 57.16 55.56 1pn3 n GLU 132 Cb 0.34 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.01 3.59 0.25 3.49 -1.52 -0.74 -5.01 119.66 117.71 1pn3 s GLN 133 Ca 0.34 -0.14 -0.30 0.00 -1.95 0.00 0.00 55.36 53.32 1pn3 s GLN 133 Cb 0.21 -2.73 -0.09 0.00 -0.22 0.00 0.00 33.01 30.17 1pn3 s GLN 133 CO 0.33 0.30 1.04 -1.54 -0.25 0.00 0.00 175.29 175.16 1pn3 s SER 134 N -3.13 7.42 0.63 5.90 1.04 -1.26 -4.86 113.70 119.44 1pn3 s SER 134 Ca 0.42 2.12 0.21 0.00 0.48 0.00 0.00 55.95 59.17 1pn3 s SER 134 Cb -0.11 -2.62 0.99 0.00 0.10 0.00 0.00 66.02 64.38 1pn3 s SER 134 CO 0.29 -0.03 1.52 -0.61 0.98 0.00 0.00 173.24 175.39 1pn3 h GLN 135 N 4.10 0.00 0.18 4.02 5.75 -1.96 0.84 115.11 128.04 1pn3 h GLN 135 Ca -0.46 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.03 1pn3 h GLN 135 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 1pn3 h GLN 135 CO 0.68 0.00 -0.09 0.00 -2.65 0.00 0.00 178.83 176.77 1pn3 h ALA 136 N 0.81 -0.24 -1.00 3.38 0.00 -2.01 -3.30 119.26 116.90 1pn3 h ALA 136 Ca 0.16 -0.07 0.35 0.00 0.00 0.00 0.00 54.91 55.35 1pn3 h ALA 136 Cb 1.67 0.09 -0.18 0.00 0.00 0.00 0.00 17.79 19.37 1pn3 h ALA 136 CO -0.00 -0.23 0.29 0.93 0.00 0.00 0.00 179.25 180.24 1pn3 h GLU 137 N -1.06 0.00 0.00 0.00 5.08 0.28 -2.48 114.58 116.41 1pn3 h GLU 137 Ca -0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pn3 h GLU 137 Cb 0.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1pn3 h GLU 137 CO 0.04 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.59 1pn3 n ARG 138 N -5.38 0.00 -0.33 2.33 5.12 -0.40 -1.66 116.66 116.35 1pn3 n ARG 138 Ca 0.31 0.32 0.28 0.00 -1.93 0.00 0.00 57.85 56.83 1pn3 n ARG 138 Cb 1.03 -0.99 0.53 0.00 -1.16 0.00 0.00 32.46 31.88 1pn3 n ARG 138 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1pn3 h ASP 139 N 0.00 0.33 0.47 0.55 5.19 -1.56 0.28 116.42 121.68 1pn3 h ASP 139 Ca 0.00 0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.64 1pn3 h ASP 139 Cb 0.00 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 1pn3 h ASP 139 CO 0.00 -0.33 -0.48 -0.03 -3.12 0.00 0.00 179.24 175.27 1pn3 h MET 140 N 0.11 -0.93 -0.10 3.56 4.05 -1.20 0.56 114.93 120.97 1pn3 h MET 140 Ca 0.79 0.06 0.04 0.00 -0.28 0.00 0.00 59.70 60.32 1pn3 h MET 140 Cb 1.99 0.21 -0.06 0.00 -0.80 0.00 0.00 31.60 32.94 1pn3 h MET 140 CO -0.72 -0.62 -0.31 1.88 0.23 0.00 0.00 176.91 177.36 1pn3 h TYR 141 N -0.97 -0.86 -0.36 1.39 0.99 0.43 0.95 116.97 118.55 1pn3 h TYR 141 Ca -0.05 0.04 0.06 0.00 2.00 0.00 0.00 58.73 60.77 1pn3 h TYR 141 Cb 0.85 0.39 -0.09 0.00 1.00 0.00 0.00 36.73 38.88 1pn3 h TYR 141 CO -0.25 -0.39 -0.44 -0.91 -0.00 0.00 0.00 178.16 176.17 1pn3 h ASN 142 N -0.40 -1.44 0.12 3.88 4.21 -0.80 0.36 115.58 121.51 1pn3 h ASN 142 Ca 0.09 0.21 0.01 0.00 1.21 0.00 0.00 56.30 57.82 1pn3 h ASN 142 Cb 0.54 0.62 -0.03 0.00 -1.12 0.00 0.00 38.32 38.33 1pn3 h ASN 142 CO -0.33 -0.38 -0.39 1.56 -1.29 0.00 0.00 177.43 176.60 1pn3 h GLN 143 N -0.36 -0.55 -0.83 0.81 7.50 0.57 0.24 115.11 122.48 1pn3 h GLN 143 Ca 0.12 0.04 0.08 0.00 0.50 0.00 0.00 58.65 59.39 1pn3 h GLN 143 Cb 0.59 0.13 -0.10 0.00 0.05 0.00 0.00 27.48 28.15 1pn3 h GLN 143 CO -0.54 -0.37 -0.48 0.41 -1.50 0.00 0.00 178.83 176.35 1pn3 n GLY 144 N -1.36 -2.12 0.51 3.46 0.00 0.29 0.42 105.19 106.39 1pn3 n GLY 144 Ca -0.06 0.99 -0.20 0.00 0.00 0.00 0.00 46.02 46.74 1pn3 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn3 h ALA 145 N 0.49 -1.35 -1.28 4.61 0.00 -0.61 0.14 119.26 121.25 1pn3 h ALA 145 Ca 0.15 -0.28 0.41 0.00 0.00 0.00 0.00 54.91 55.18 1pn3 h ALA 145 Cb 0.36 0.51 -0.12 0.00 0.00 0.00 0.00 17.79 18.54 1pn3 h ALA 145 CO -0.79 -1.25 0.83 -0.44 0.00 0.00 0.00 179.25 177.60 1pn3 h ASP 146 N -1.29 0.26 0.32 0.00 3.32 0.70 0.80 116.42 120.53 1pn3 h ASP 146 Ca -0.13 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1pn3 h ASP 146 Cb 0.99 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1pn3 h ASP 146 CO 0.21 -0.13 -0.15 0.03 -1.72 0.00 0.00 179.24 177.48 1pn3 h ARG 147 N 0.13 -0.41 -0.93 3.56 -0.00 0.46 -1.81 114.38 115.37 1pn3 h ARG 147 Ca 0.78 0.03 0.09 0.00 -0.50 0.00 0.00 59.98 60.38 1pn3 h ARG 147 Cb 2.41 0.09 -0.07 0.00 0.00 0.00 0.00 29.97 32.41 1pn3 h ARG 147 CO -0.37 -0.28 0.60 1.37 0.00 0.00 0.00 179.97 181.29 1pn3 h LEU 148 N -1.09 0.87 -0.11 3.04 8.10 0.14 -3.35 115.31 122.91 1pn3 h LEU 148 Ca -0.04 0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1pn3 h LEU 148 Cb 0.33 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 40.39 1pn3 h LEU 148 CO 0.07 0.52 0.00 2.22 -4.11 0.00 0.00 178.44 177.14 1pn3 n PHE 149 N -4.53 0.00 -0.32 0.17 1.16 -0.02 -4.78 117.46 109.13 1pn3 n PHE 149 Ca 0.16 0.00 0.31 0.00 -1.87 0.00 0.00 57.45 56.05 1pn3 n PHE 149 Cb 0.28 0.00 0.56 0.00 -1.61 0.00 0.00 39.48 38.71 1pn3 n PHE 149 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1pn3 n GLY 150 N 0.00 -0.71 0.06 4.97 0.00 -0.68 -1.99 105.19 106.85 1pn3 n GLY 150 Ca 0.00 0.74 -0.01 0.00 0.00 0.00 0.00 46.02 46.75 1pn3 n GLY 150 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pn3 h ASP 151 N 0.00 -0.07 -1.75 1.61 3.32 -1.85 -3.19 116.42 114.49 1pn3 h ASP 151 Ca 0.79 0.00 0.51 0.00 0.02 0.00 0.00 57.03 58.35 1pn3 h ASP 151 Cb 2.19 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 41.67 1pn3 h ASP 151 CO -0.65 0.24 1.25 0.00 -1.72 0.00 0.00 179.24 178.35 1pn3 h ALA 152 N -1.39 3.60 0.02 3.45 0.00 -1.80 0.11 119.26 123.24 1pn3 h ALA 152 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pn3 h ALA 152 Cb 0.06 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1pn3 h ALA 152 CO 0.01 -2.13 -0.01 0.28 0.00 0.00 0.00 179.25 177.41 1pn3 h VAL 153 N 0.01 0.00 -0.97 0.00 2.07 -1.52 -3.00 116.25 112.84 1pn3 h VAL 153 Ca 0.85 -0.02 0.26 0.00 0.82 0.00 0.00 66.70 68.62 1pn3 h VAL 153 Cb 3.34 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 32.98 1pn3 h VAL 153 CO -0.06 0.00 0.52 0.78 0.02 0.00 0.00 177.57 178.83 1pn3 h ASN 154 N -0.05 0.51 0.07 0.57 2.35 -1.03 0.35 115.58 118.36 1pn3 h ASN 154 Ca -0.00 0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1pn3 h ASN 154 Cb 0.02 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1pn3 h ASN 154 CO 0.00 -0.01 -0.33 0.28 -1.65 0.00 0.00 177.43 175.72 1pn3 h SER 155 N 0.44 -1.00 -0.03 5.81 0.02 -0.95 1.10 113.55 118.93 1pn3 h SER 155 Ca 0.65 0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.71 1pn3 h SER 155 Cb 1.32 0.37 -0.00 0.00 0.14 0.00 0.00 62.40 64.23 1pn3 h SER 155 CO -0.54 -0.35 0.02 0.45 -1.14 0.00 0.00 176.83 175.27 1pn3 h HIS 156 N -0.47 0.00 0.49 3.45 3.86 -1.02 0.44 115.15 121.90 1pn3 h HIS 156 Ca -0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1pn3 h HIS 156 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1pn3 h HIS 156 CO -0.40 0.00 -0.24 0.00 0.86 0.00 0.00 177.93 178.16 1pn3 h ARG 157 N 0.00 -0.64 0.00 2.45 3.08 0.13 -2.08 114.38 117.32 1pn3 h ARG 157 Ca 0.01 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1pn3 h ARG 157 Cb 0.06 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1pn3 h ARG 157 CO -0.00 -0.34 -0.04 0.00 -1.07 0.00 0.00 179.97 178.52 1pn3 h ALA 158 N -0.49 1.44 0.00 0.04 0.00 0.21 -0.77 119.26 119.69 1pn3 h ALA 158 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pn3 h ALA 158 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1pn3 h ALA 158 CO 0.11 0.04 0.00 0.66 0.00 0.00 0.00 179.25 180.07 1pn3 h SER 159 N 0.00 0.00 -0.00 0.00 4.64 0.53 -3.12 113.55 115.60 1pn3 h SER 159 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pn3 h SER 159 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1pn3 h SER 159 CO 0.00 0.00 -0.04 2.30 -0.87 0.00 0.00 176.83 178.22 1pn3 n ILE 160 N -2.31 0.00 0.00 0.95 -5.35 -0.35 -5.04 119.36 107.26 1pn3 n ILE 160 Ca 0.02 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 1pn3 n ILE 160 Cb 0.24 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 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 0.75 3.87 3.71 3.28 0.00 -0.84 -5.11 105.19 110.84 1pn3 n GLY 161 Ca 0.00 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 1pn3 n GLY 161 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1pn3 s LEU 162 N 0.00 3.14 0.66 0.99 2.34 -1.15 -4.83 118.68 119.83 1pn3 s LEU 162 Ca 0.00 2.27 -0.03 0.00 0.06 0.00 0.00 54.13 56.43 1pn3 s LEU 162 Cb 0.00 -4.58 0.06 0.00 -0.56 0.00 0.00 46.19 41.12 1pn3 s LEU 162 CO 0.00 -2.54 0.94 -2.16 -1.06 0.00 0.00 176.35 171.53 1pn3 s PRO 163 N -4.22 2.20 1.12 1.48 0.04 -1.26 -2.84 135.00 131.52 1pn3 s PRO 163 Ca 0.71 -0.56 -0.15 0.00 0.04 0.00 0.00 61.00 61.04 1pn3 s PRO 163 Cb -0.26 -2.29 0.19 0.00 0.04 0.00 0.00 34.50 32.17 1pn3 s PRO 163 CO 0.50 -1.12 0.58 -2.30 0.04 0.00 0.00 177.00 174.71 1pn3 n PRO 164 N -2.73 -1.86 -3.72 0.56 -0.02 -1.26 -4.82 135.00 121.15 1pn3 n PRO 164 Ca 0.09 -0.51 -0.12 0.00 -2.02 0.00 0.00 63.50 60.93 1pn3 n PRO 164 Cb 0.60 -1.97 -0.07 0.00 -0.02 0.00 0.00 33.50 32.04 1pn3 n PRO 164 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1pn3 s VAL 165 N -2.35 0.07 0.00 -1.45 -7.23 -1.26 -5.09 120.40 103.08 1pn3 s VAL 165 Ca 0.63 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 1pn3 s VAL 165 Cb -0.20 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 35.85 1pn3 s VAL 165 CO 0.65 -0.31 0.00 -1.84 -0.31 0.00 0.00 175.10 173.29 1pn3 n GLU 166 N 0.68 2.33 -3.67 4.82 0.28 -1.26 -4.86 120.64 118.96 1pn3 n GLU 166 Ca -0.19 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.60 1pn3 n GLU 166 Cb 0.59 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.43 1pn3 n GLU 166 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1pn3 n HIS 167 N 0.00 -0.70 0.28 -1.84 8.25 -1.26 -4.67 115.22 115.28 1pn3 n HIS 167 Ca 0.00 0.20 0.16 0.00 -0.26 0.00 0.00 57.72 57.82 1pn3 n HIS 167 Cb 0.00 -1.50 0.84 0.00 1.12 0.00 0.00 29.99 30.45 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 -0.29 0.00 -0.26 2.41 4.07 -1.89 -0.88 115.31 118.47 1pn3 h LEU 168 Ca -0.37 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.57 1pn3 h LEU 168 Cb 0.76 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 1pn3 h LEU 168 CO 0.34 0.00 0.08 0.22 -1.08 0.00 0.00 178.44 178.00 1pn3 h TYR 169 N 0.00 0.41 -0.08 1.13 3.20 -1.85 0.14 116.97 119.92 1pn3 h TYR 169 Ca 0.00 -0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.68 1pn3 h TYR 169 Cb 0.32 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1pn3 h TYR 169 CO 0.00 0.46 -0.58 -0.44 -1.64 0.00 0.00 178.16 175.95 1pn3 h ASP 170 N 0.25 0.31 0.66 -2.11 3.32 -1.53 -2.30 116.42 115.03 1pn3 h ASP 170 Ca 0.08 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1pn3 h ASP 170 Cb 0.24 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.70 1pn3 h ASP 170 CO -0.00 0.82 -0.32 0.22 -1.72 0.00 0.00 179.24 178.24 1pn3 h TYR 171 N 0.21 -0.83 -0.06 4.55 3.20 -1.03 0.25 116.97 123.26 1pn3 h TYR 171 Ca -0.00 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1pn3 h TYR 171 Cb 1.08 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.62 1pn3 h TYR 171 CO 0.02 -0.51 -0.19 0.78 -1.64 0.00 0.00 178.16 176.62 1pn3 h GLY 172 N -1.21 0.10 0.83 1.82 0.00 -0.82 -2.74 103.07 101.05 1pn3 h GLY 172 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1pn3 h GLY 172 CO 0.15 0.06 -0.83 -1.72 0.00 0.00 0.00 176.54 174.20 1pn3 n TYR 173 N -4.27 0.34 -1.35 5.60 0.53 -0.86 -4.67 117.16 112.47 1pn3 n TYR 173 Ca -0.02 0.10 0.11 0.00 -1.02 0.00 0.00 57.90 57.07 1pn3 n TYR 173 Cb 0.28 -0.49 -0.06 0.00 -1.03 0.00 0.00 39.34 38.03 1pn3 n TYR 173 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 1pn3 n THR 174 N -1.97 -1.44 -0.03 -0.72 -2.24 0.89 -3.18 114.28 105.59 1pn3 n THR 174 Ca 0.03 1.02 0.15 0.00 -2.27 0.00 0.00 64.05 62.98 1pn3 n THR 174 Cb 0.43 -1.60 0.58 0.00 -2.10 0.00 0.00 70.33 67.64 1pn3 n THR 174 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1pn3 h ASP 175 N -0.84 0.20 -2.26 3.42 2.03 -1.90 -3.28 116.42 113.79 1pn3 h ASP 175 Ca -0.13 0.01 -0.58 0.00 -0.73 0.00 0.00 57.03 55.60 1pn3 h ASP 175 Cb 1.14 -0.04 -0.39 0.00 -0.83 0.00 0.00 39.33 39.21 1pn3 h ASP 175 CO 0.05 0.12 -0.96 0.00 -1.03 0.00 0.00 179.24 177.42 1pn3 n GLN 176 N -4.44 0.77 -1.50 4.15 1.13 -1.26 -5.02 117.38 111.21 1pn3 n GLN 176 Ca 0.09 -3.46 -0.34 0.00 -1.94 0.00 0.00 57.00 51.36 1pn3 n GLN 176 Cb 0.46 -1.60 0.08 0.00 0.11 0.00 0.00 30.24 29.29 1pn3 n GLN 176 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1pn3 s PRO 177 N -0.83 2.31 0.41 -1.09 0.04 -1.19 -4.89 135.00 129.75 1pn3 s PRO 177 Ca 0.34 1.60 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 1pn3 s PRO 177 Cb 0.10 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.70 1pn3 s PRO 177 CO -0.14 -1.67 0.79 -1.58 0.04 0.00 0.00 177.00 174.44 1pn3 s TRP 178 N -2.18 3.45 -0.45 0.56 0.51 0.10 -4.56 118.94 116.38 1pn3 s TRP 178 Ca 0.71 1.12 0.01 0.00 -2.12 0.00 0.00 56.10 55.83 1pn3 s TRP 178 Cb -0.25 -2.50 0.12 0.00 -0.81 0.00 0.00 33.47 30.03 1pn3 s TRP 178 CO 0.45 -0.11 0.20 -1.17 -0.51 0.00 0.00 176.95 175.81 1pn3 s LEU 179 N -3.75 4.83 -1.25 2.99 2.96 -0.15 0.75 118.68 125.08 1pn3 s LEU 179 Ca 0.53 -2.46 -0.12 0.00 -0.22 0.00 0.00 54.13 51.85 1pn3 s LEU 179 Cb -0.10 -1.71 0.16 0.00 0.50 0.00 0.00 46.19 45.04 1pn3 s LEU 179 CO 0.29 -0.38 1.65 0.00 -1.32 0.00 0.00 176.35 176.60 1pn3 n ALA 180 N 3.91 4.52 -3.10 5.97 0.00 -0.65 -2.85 120.51 128.32 1pn3 n ALA 180 Ca 0.03 -4.25 -0.12 0.00 0.00 0.00 0.00 53.44 49.10 1pn3 n ALA 180 Cb 0.39 -3.06 -0.07 0.00 0.00 0.00 0.00 19.45 16.71 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 1.23 -0.83 0.27 0.00 0.00 -1.15 -4.27 121.76 117.00 1pn3 s ALA 181 Ca 0.42 0.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 1pn3 s ALA 181 Cb 0.03 0.30 -0.09 0.00 0.00 0.00 0.00 23.12 23.36 1pn3 s ALA 181 CO 0.00 -0.41 1.13 0.34 0.00 0.00 0.00 175.76 176.83 1pn3 s ASP 182 N -1.95 7.19 0.20 0.00 -1.08 -1.26 -2.79 116.67 116.98 1pn3 s ASP 182 Ca -0.06 2.31 -0.10 0.00 -0.52 0.00 0.00 52.55 54.18 1pn3 s ASP 182 Cb -0.01 -2.63 0.24 0.00 -1.46 0.00 0.00 42.92 39.06 1pn3 s ASP 182 CO -0.02 -0.21 1.79 -0.65 0.52 0.00 0.00 175.17 176.59 1pn3 h PRO 183 N 3.94 0.56 -0.54 4.34 0.11 -1.94 0.20 132.00 138.68 1pn3 h PRO 183 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1pn3 h PRO 183 Cb 1.21 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1pn3 h PRO 183 CO 0.68 0.37 0.21 0.28 -0.21 0.00 0.00 178.00 179.33 1pn3 h VAL 184 N 0.58 1.22 0.01 3.15 2.07 -1.94 -2.74 116.25 118.60 1pn3 h VAL 184 Ca 0.29 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 1pn3 h VAL 184 Cb 0.23 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1pn3 h VAL 184 CO -0.21 0.26 -0.33 0.25 0.02 0.00 0.00 177.57 177.56 1pn3 h LEU 185 N 0.73 0.03 -6.18 2.57 5.85 -1.95 -3.41 115.31 112.94 1pn3 h LEU 185 Ca 0.18 -0.89 -0.64 0.00 0.84 0.00 0.00 57.88 57.37 1pn3 h LEU 185 Cb 0.21 -0.01 -0.39 0.00 0.37 0.00 0.00 40.66 40.84 1pn3 h LEU 185 CO -0.01 1.13 -0.30 -1.20 -0.34 0.00 0.00 178.44 177.72 1pn3 n SER 186 N -4.54 4.47 -4.76 1.25 7.64 0.71 -4.96 113.62 113.43 1pn3 n SER 186 Ca -0.15 -3.49 -0.34 0.00 1.01 0.00 0.00 58.87 55.90 1pn3 n SER 186 Cb 0.55 -0.77 0.04 0.00 -1.01 0.00 0.00 64.21 63.02 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 -2.76 2.82 0.91 1.43 0.04 -1.03 -4.59 135.00 131.82 1pn3 s PRO 187 Ca 0.40 1.52 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 1pn3 s PRO 187 Cb 0.15 -1.94 0.17 0.00 0.04 0.00 0.00 34.50 32.92 1pn3 s PRO 187 CO -0.01 -1.26 1.27 -0.51 0.04 0.00 0.00 177.00 176.52 1pn3 s LEU 188 N -4.65 2.71 -0.05 -3.56 1.43 -1.26 -4.89 118.68 108.41 1pn3 s LEU 188 Ca 0.70 0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 54.05 1pn3 s LEU 188 Cb -0.23 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.56 1pn3 s LEU 188 CO 0.39 -2.51 0.12 -0.13 0.23 0.00 0.00 176.35 174.45 1pn3 s ARG 189 N -5.76 0.14 0.00 1.70 0.52 -1.26 -5.05 118.95 109.23 1pn3 s ARG 189 Ca 0.71 0.18 0.00 0.00 -0.52 0.00 0.00 55.73 56.10 1pn3 s ARG 189 Cb -0.05 0.05 0.00 0.00 0.52 0.00 0.00 34.95 35.47 1pn3 s ARG 189 CO 0.51 -0.03 0.00 -2.30 0.02 0.00 0.00 175.30 173.51 1pn3 n PRO 190 N 3.10 0.00 -0.60 3.54 -0.02 -1.26 0.19 135.00 139.95 1pn3 n PRO 190 Ca -0.13 0.00 0.48 0.00 -2.02 0.00 0.00 63.50 61.83 1pn3 n PRO 190 Cb 0.59 0.00 0.80 0.00 -0.02 0.00 0.00 33.50 34.87 1pn3 n PRO 190 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1pn3 h THR 191 N 0.00 0.12 -3.35 3.45 1.35 -1.97 -3.07 112.91 109.43 1pn3 h THR 191 Ca 0.00 -0.00 -0.65 0.00 -0.55 0.00 0.00 66.41 65.20 1pn3 h THR 191 Cb 0.00 0.11 -0.39 0.00 -1.73 0.00 0.00 68.15 66.14 1pn3 h THR 191 CO 0.00 0.00 -0.51 1.51 -0.25 0.00 0.00 175.52 176.27 1pn3 s ASP 192 N -4.24 4.77 0.00 5.36 -4.77 0.51 -4.78 116.67 113.52 1pn3 s ASP 192 Ca -0.05 -3.22 0.00 0.00 -3.30 0.00 0.00 52.55 45.98 1pn3 s ASP 192 Cb 0.26 -1.71 0.00 0.00 -1.09 0.00 0.00 42.92 40.38 1pn3 s ASP 192 CO 0.87 -0.23 0.00 -0.11 0.70 0.00 0.00 175.17 176.40 1pn3 n LEU 193 N 2.88 1.38 -2.90 2.11 7.94 -1.16 -4.37 117.00 122.88 1pn3 n LEU 193 Ca 0.10 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.85 1pn3 n LEU 193 Cb 0.34 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.26 1pn3 n LEU 193 CO 0.33 0.00 1.83 0.61 -1.11 0.00 0.00 177.39 179.05 1pn3 n GLY 194 N 2.73 2.62 3.39 -3.96 0.00 -1.26 -4.77 105.19 103.94 1pn3 n GLY 194 Ca 0.00 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 1pn3 n GLY 194 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pn3 s THR 195 N 3.22 3.22 -0.13 2.61 -1.32 -1.26 -5.03 115.64 116.96 1pn3 s THR 195 Ca 0.33 -0.60 -0.29 0.00 -1.21 0.00 0.00 61.69 59.91 1pn3 s THR 195 Cb 0.10 -2.37 -0.01 0.00 -1.51 0.00 0.00 72.50 68.71 1pn3 s THR 195 CO -0.02 0.52 1.13 -0.69 -2.21 0.00 0.00 174.62 173.34 1pn3 s VAL 196 N 0.38 4.49 -0.18 5.08 1.01 -1.26 -4.98 120.40 124.94 1pn3 s VAL 196 Ca -0.09 1.79 0.01 0.00 0.00 0.00 0.00 61.98 63.68 1pn3 s VAL 196 Cb -0.16 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.10 1pn3 s VAL 196 CO 0.05 -0.06 -0.15 -1.58 0.00 0.00 0.00 175.10 173.35 1pn3 s GLN 197 N 2.62 2.49 -0.01 2.72 0.74 -1.26 -0.97 119.66 125.99 1pn3 s GLN 197 Ca 0.51 -0.75 0.22 0.00 0.05 0.00 0.00 55.36 55.39 1pn3 s GLN 197 Cb -0.20 -2.37 -0.30 0.00 1.10 0.00 0.00 33.01 31.23 1pn3 s GLN 197 CO 0.16 -0.28 0.54 0.25 -0.55 0.00 0.00 175.29 175.41 1pn3 n THR 198 N 4.68 0.06 0.00 -0.34 -2.24 -1.13 -5.02 114.28 110.29 1pn3 n THR 198 Ca -0.18 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1pn3 n THR 198 Cb 0.49 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1pn3 n THR 198 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pn3 n GLY 199 N 1.26 2.14 3.78 3.38 0.00 -1.12 -3.97 105.19 110.66 1pn3 n GLY 199 Ca -0.03 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.43 2.60 -0.52 4.61 0.00 -1.24 -2.96 121.76 121.83 1pn3 s ALA 200 Ca 0.00 0.59 -0.18 0.00 0.00 0.00 0.00 51.96 52.37 1pn3 s ALA 200 Cb 0.00 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 19.89 1pn3 s ALA 200 CO 0.00 -1.00 0.59 -1.58 0.00 0.00 0.00 175.76 173.77 1pn3 s TRP 201 N -2.20 3.09 -0.07 0.00 0.51 -1.26 -3.70 118.94 115.31 1pn3 s TRP 201 Ca 0.68 -0.78 0.05 0.00 -2.12 0.00 0.00 56.10 53.93 1pn3 s TRP 201 Cb -0.20 -3.60 -0.01 0.00 -0.81 0.00 0.00 33.47 28.85 1pn3 s TRP 201 CO 0.36 -1.05 -0.22 0.42 -0.51 0.00 0.00 176.95 175.95 1pn3 s ILE 202 N 2.37 2.34 -0.49 2.03 1.01 -1.26 -4.46 121.20 122.74 1pn3 s ILE 202 Ca 0.11 -0.96 -0.17 0.00 0.00 0.00 0.00 60.65 59.63 1pn3 s ILE 202 Cb -0.22 -1.88 0.07 0.00 0.01 0.00 0.00 42.46 40.43 1pn3 s ILE 202 CO 0.09 0.57 0.50 -0.22 0.00 0.00 0.00 174.94 175.88 1pn3 s LEU 203 N -0.12 5.39 -0.74 2.97 2.96 -1.26 -4.86 118.68 123.02 1pn3 s LEU 203 Ca -0.04 -1.20 -0.30 0.00 -0.22 0.00 0.00 54.13 52.37 1pn3 s LEU 203 Cb -0.14 -2.29 -0.16 0.00 0.50 0.00 0.00 46.19 44.11 1pn3 s LEU 203 CO 0.04 -0.77 2.53 -2.65 -1.32 0.00 0.00 176.35 174.18 1pn3 n PRO 204 N 5.63 0.47 -2.30 0.98 -0.02 -1.26 -4.85 135.00 133.65 1pn3 n PRO 204 Ca -0.10 0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 60.98 1pn3 n PRO 204 Cb 0.44 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1pn3 n PRO 204 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1pn3 s ASP 205 N 9.91 6.95 0.00 2.55 -1.08 -1.26 -4.92 116.67 128.81 1pn3 s ASP 205 Ca 1.19 2.13 0.06 0.00 -0.52 0.00 0.00 52.55 55.42 1pn3 s ASP 205 Cb -0.84 -2.58 0.02 0.00 -1.46 0.00 0.00 42.92 38.06 1pn3 s ASP 205 CO 0.41 -0.58 0.56 -0.62 0.52 0.00 0.00 175.17 175.45 1pn3 n GLU 206 N 4.25 1.45 -1.70 4.34 -0.58 -1.26 -4.88 120.64 122.25 1pn3 n GLU 206 Ca 0.11 -0.61 -0.43 0.00 -0.42 0.00 0.00 57.16 55.80 1pn3 n GLU 206 Cb 0.44 -1.01 -0.03 0.00 -0.57 0.00 0.00 31.44 30.28 1pn3 n GLU 206 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pn3 n ARG 207 N -0.10 2.42 -3.20 3.49 1.74 -1.26 -4.97 116.66 114.78 1pn3 n ARG 207 Ca 0.03 0.87 -0.36 0.00 -0.77 0.00 0.00 57.85 57.62 1pn3 n ARG 207 Cb 0.13 -2.63 -0.06 0.00 -1.02 0.00 0.00 32.46 28.89 1pn3 n ARG 207 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1pn3 s PRO 208 N 0.16 4.13 0.48 5.56 0.04 -1.26 -4.78 135.00 139.33 1pn3 s PRO 208 Ca 0.70 0.71 -0.23 0.00 0.04 0.00 0.00 61.00 62.22 1pn3 s PRO 208 Cb -0.58 -2.87 -0.07 0.00 0.04 0.00 0.00 34.50 31.03 1pn3 s PRO 208 CO 0.43 0.41 1.23 -0.51 0.04 0.00 0.00 177.00 178.60 1pn3 s LEU 209 N -2.04 3.99 0.99 -3.56 1.43 -1.26 -4.94 118.68 113.28 1pn3 s LEU 209 Ca 0.42 2.46 -0.12 0.00 -1.03 0.00 0.00 54.13 55.86 1pn3 s LEU 209 Cb -0.16 -4.22 0.13 0.00 0.03 0.00 0.00 46.19 41.98 1pn3 s LEU 209 CO 0.20 -1.09 0.77 -1.54 0.23 0.00 0.00 176.35 174.93 1pn3 n SER 210 N -0.57 -1.03 -0.01 2.29 3.41 -1.26 -4.73 113.62 111.72 1pn3 n SER 210 Ca 0.08 0.26 0.01 0.00 -0.26 0.00 0.00 58.87 58.95 1pn3 n SER 210 Cb 0.47 -1.31 0.32 0.00 -0.26 0.00 0.00 64.21 63.43 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 -1.92 1.43 0.66 7.33 0.00 -1.98 -1.13 119.26 123.65 1pn3 h ALA 211 Ca -0.47 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 1pn3 h ALA 211 Cb 1.29 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1pn3 h ALA 211 CO 0.40 0.41 -0.32 0.93 0.00 0.00 0.00 179.25 180.67 1pn3 h GLU 212 N 0.53 -0.85 -0.79 0.00 3.07 -1.99 -0.77 114.58 113.77 1pn3 h GLU 212 Ca 0.12 0.06 0.17 0.00 -0.50 0.00 0.00 59.36 59.20 1pn3 h GLU 212 Cb 0.25 0.19 -0.11 0.00 -0.84 0.00 0.00 28.75 28.24 1pn3 h GLU 212 CO 0.00 -0.57 0.30 1.25 -1.40 0.00 0.00 179.01 178.60 1pn3 h LEU 213 N -1.09 0.25 -1.24 1.33 6.46 -1.89 0.60 115.31 119.73 1pn3 h LEU 213 Ca -0.09 0.13 0.03 0.00 -0.12 0.00 0.00 57.88 57.83 1pn3 h LEU 213 Cb 0.68 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.68 1pn3 h LEU 213 CO 0.15 0.05 0.52 -0.33 -0.62 0.00 0.00 178.44 178.22 1pn3 h GLU 214 N 0.41 0.97 0.40 1.25 4.39 -1.13 0.16 114.58 121.03 1pn3 h GLU 214 Ca 0.45 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 60.08 1pn3 h GLU 214 Cb 0.75 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1pn3 h GLU 214 CO -0.46 0.64 -0.19 0.00 -1.16 0.00 0.00 179.01 177.84 1pn3 h ALA 215 N 1.53 -0.54 -0.40 3.43 0.00 0.16 -3.15 119.26 120.29 1pn3 h ALA 215 Ca 0.31 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1pn3 h ALA 215 Cb 0.01 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 1pn3 h ALA 215 CO -0.09 -0.67 -0.13 0.35 0.00 0.00 0.00 179.25 178.71 1pn3 h PHE 216 N -0.81 -0.30 0.00 0.00 3.57 -0.54 0.37 116.94 119.23 1pn3 h PHE 216 Ca -0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1pn3 h PHE 216 Cb 0.54 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1pn3 h PHE 216 CO 0.01 -0.21 0.00 1.28 -2.23 0.00 0.00 178.31 177.16 1pn3 n LEU 217 N -5.33 0.85 0.00 0.59 4.77 0.54 -1.53 117.00 116.89 1pn3 n LEU 217 Ca 0.02 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1pn3 n LEU 217 Cb 0.24 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1pn3 n LEU 217 CO 0.14 0.16 0.00 0.00 -1.33 0.00 0.00 177.39 176.36 1pn3 n ALA 218 N 0.54 1.14 0.89 -1.18 0.00 0.10 -4.85 120.51 117.16 1pn3 n ALA 218 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pn3 n ALA 218 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1pn3 n ALA 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pn3 n ALA 219 N -0.70 2.37 0.00 0.00 0.00 0.27 -4.91 120.51 117.55 1pn3 n ALA 219 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pn3 n ALA 219 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.39 -0.69 3.77 0.00 0.00 -1.25 -5.04 105.19 102.37 1pn3 n GLY 220 Ca 0.00 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 1pn3 n GLY 220 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pn3 s SER 221 N -4.00 4.78 -0.29 1.61 0.01 -1.26 -4.94 113.70 109.60 1pn3 s SER 221 Ca 0.00 1.92 -0.29 0.00 1.31 0.00 0.00 55.95 58.90 1pn3 s SER 221 Cb 0.00 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 1pn3 s SER 221 CO 0.00 -1.85 1.70 0.28 0.41 0.00 0.00 173.24 173.77 1pn3 s THR 222 N -2.61 3.59 0.91 1.44 -1.32 -1.26 -4.75 115.64 111.64 1pn3 s THR 222 Ca 0.64 0.63 -0.12 0.00 -1.21 0.00 0.00 61.69 61.63 1pn3 s THR 222 Cb -0.19 -3.71 0.13 0.00 -1.51 0.00 0.00 72.50 67.22 1pn3 s THR 222 CO 0.49 -0.39 1.10 -2.16 -2.21 0.00 0.00 174.62 171.45 1pn3 s PRO 223 N 5.20 1.19 0.05 7.08 0.04 -1.26 -4.44 135.00 142.87 1pn3 s PRO 223 Ca 0.75 0.57 0.02 0.00 0.04 0.00 0.00 61.00 62.38 1pn3 s PRO 223 Cb -0.23 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1pn3 s PRO 223 CO 0.32 -2.22 0.08 0.08 0.04 0.00 0.00 177.00 175.30 1pn3 s VAL 224 N -3.07 4.62 -0.09 -0.36 1.01 -0.81 0.10 120.40 121.80 1pn3 s VAL 224 Ca 0.63 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1pn3 s VAL 224 Cb -0.17 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1pn3 s VAL 224 CO 0.56 0.21 0.21 -0.47 0.00 0.00 0.00 175.10 175.61 1pn3 s TYR 225 N -1.32 3.62 -0.08 5.22 6.14 0.55 -2.37 117.35 129.12 1pn3 s TYR 225 Ca 0.27 0.64 -0.01 0.00 0.64 0.00 0.00 57.07 58.62 1pn3 s TYR 225 Cb -0.12 -2.05 0.03 0.00 0.42 0.00 0.00 41.96 40.24 1pn3 s TYR 225 CO 0.19 0.69 -0.03 0.08 0.64 0.00 0.00 175.55 177.12 1pn3 s VAL 226 N -0.95 0.61 -0.07 3.14 1.01 -0.85 0.12 120.40 123.40 1pn3 s VAL 226 Ca 0.17 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 1pn3 s VAL 226 Cb -0.13 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 35.65 1pn3 s VAL 226 CO 0.06 0.29 0.88 -0.83 0.00 0.00 0.00 175.10 175.50 1pn3 s GLY 227 N 1.73 -0.41 -0.13 4.51 0.00 -0.75 -1.89 107.32 110.37 1pn3 s GLY 227 Ca 0.02 1.48 0.20 0.00 0.00 0.00 0.00 44.72 46.42 1pn3 s GLY 227 CO -0.05 0.75 1.17 0.69 0.00 0.00 0.00 173.10 175.66 1pn3 n PHE 228 N 0.39 0.51 0.00 1.90 3.72 -1.26 -3.60 117.46 119.12 1pn3 n PHE 228 Ca -0.12 -1.22 0.00 0.00 -0.05 0.00 0.00 57.45 56.06 1pn3 n PHE 228 Cb 0.59 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 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 -0.21 1.74 0.00 1.37 0.00 -1.26 -0.36 105.19 106.46 1pn3 n GLY 229 Ca 0.13 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.43 1pn3 n GLY 229 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pn3 n SER 230 N 1.25 0.00 -4.66 1.61 7.64 -1.26 -1.65 113.62 116.56 1pn3 n SER 230 Ca 0.00 -0.00 -0.51 0.00 1.01 0.00 0.00 58.87 59.37 1pn3 n SER 230 Cb 0.00 -0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 62.84 1pn3 n SER 230 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pn3 n SER 231 N -1.31 2.53 0.00 6.43 7.64 0.51 -4.63 113.62 124.79 1pn3 n SER 231 Ca 0.11 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1pn3 n SER 231 Cb 0.20 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1pn3 n SER 231 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pn3 n SER 232 N 4.19 0.69 -4.71 6.43 7.64 -1.26 -2.80 113.62 123.79 1pn3 n SER 232 Ca 0.21 -1.23 -0.35 0.00 1.01 0.00 0.00 58.87 58.51 1pn3 n SER 232 Cb 0.22 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.52 1pn3 n SER 232 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1pn3 n ARG 233 N -0.11 0.68 0.26 1.43 1.85 -1.26 -4.88 116.66 114.62 1pn3 n ARG 233 Ca 0.00 0.30 0.10 0.00 -1.00 0.00 0.00 57.85 57.25 1pn3 n ARG 233 Cb 0.26 -2.48 0.67 0.00 -1.05 0.00 0.00 32.46 29.86 1pn3 n ARG 233 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 1pn3 h PRO 234 N -0.14 0.00 -0.15 2.89 0.11 -2.01 -2.08 132.00 130.61 1pn3 h PRO 234 Ca -0.49 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1pn3 h PRO 234 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 1pn3 h PRO 234 CO 0.50 0.10 -0.20 0.00 -0.21 0.00 0.00 178.00 178.19 1pn3 h ALA 235 N 1.90 1.37 -1.00 -0.75 0.00 -1.95 -3.09 119.26 115.74 1pn3 h ALA 235 Ca -0.00 -0.27 0.25 0.00 0.00 0.00 0.00 54.91 54.89 1pn3 h ALA 235 Cb 0.22 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 17.73 1pn3 h ALA 235 CO 0.01 0.43 -0.08 2.41 0.00 0.00 0.00 179.25 182.03 1pn3 n THR 236 N -4.20 -0.42 -0.23 0.00 -1.04 -0.78 0.41 114.28 108.02 1pn3 n THR 236 Ca -0.01 2.23 -0.06 0.00 -2.04 0.00 0.00 64.05 64.17 1pn3 n THR 236 Cb 0.33 -3.20 0.04 0.00 -1.82 0.00 0.00 70.33 65.69 1pn3 n THR 236 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pn3 h ALA 237 N 2.00 0.83 -0.50 2.41 0.00 -1.72 -0.80 119.26 121.47 1pn3 h ALA 237 Ca 0.56 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.33 1pn3 h ALA 237 Cb 1.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1pn3 h ALA 237 CO -0.97 0.32 0.10 -0.44 0.00 0.00 0.00 179.25 178.26 1pn3 h ASP 238 N 0.88 0.77 -0.42 0.00 3.32 -0.19 -1.86 116.42 118.92 1pn3 h ASP 238 Ca 0.23 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1pn3 h ASP 238 Cb 0.00 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1pn3 h ASP 238 CO -0.04 0.82 0.27 0.00 -1.72 0.00 0.00 179.24 178.57 1pn3 h ALA 239 N 0.98 0.53 -0.76 3.45 0.00 -0.47 -1.19 119.26 121.80 1pn3 h ALA 239 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1pn3 h ALA 239 Cb 0.36 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1pn3 h ALA 239 CO 0.01 -0.03 0.50 0.00 0.00 0.00 0.00 179.25 179.73 1pn3 h ALA 240 N 1.16 0.97 0.18 0.00 0.00 -0.96 -0.91 119.26 119.70 1pn3 h ALA 240 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1pn3 h ALA 240 Cb -0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1pn3 h ALA 240 CO -0.04 0.37 -0.19 -0.22 0.00 0.00 0.00 179.25 179.17 1pn3 h LYS 241 N 1.02 -0.40 -0.90 0.00 3.64 -0.83 0.21 116.57 119.32 1pn3 h LYS 241 Ca 0.28 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.71 1pn3 h LYS 241 Cb -0.11 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 1pn3 h LYS 241 CO -0.07 -0.27 0.58 0.52 -2.27 0.00 0.00 179.45 177.95 1pn3 h MET 242 N -0.41 1.12 -0.02 1.90 2.86 -0.96 -0.03 114.93 119.40 1pn3 h MET 242 Ca 0.00 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1pn3 h MET 242 Cb 0.39 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1pn3 h MET 242 CO -0.05 0.74 0.01 0.00 1.06 0.00 0.00 176.91 178.66 1pn3 h ALA 243 N 1.36 0.02 -0.63 6.32 0.00 -0.80 0.72 119.26 126.25 1pn3 h ALA 243 Ca 0.35 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.27 1pn3 h ALA 243 Cb -0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 1pn3 h ALA 243 CO -0.10 -0.39 0.25 0.82 0.00 0.00 0.00 179.25 179.82 1pn3 h ILE 244 N -0.14 0.78 -0.06 0.00 1.08 -0.11 -0.59 117.51 118.46 1pn3 h ILE 244 Ca 0.01 -0.15 -0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1pn3 h ILE 244 Cb 0.17 0.30 -0.00 0.00 -3.07 0.00 0.00 36.82 34.22 1pn3 h ILE 244 CO -0.00 0.08 0.04 0.11 -0.69 0.00 0.00 178.15 177.69 1pn3 h LYS 245 N 0.44 0.08 -0.83 2.37 1.57 -0.66 -1.04 116.57 118.50 1pn3 h LYS 245 Ca 0.32 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1pn3 h LYS 245 Cb 0.39 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 1pn3 h LYS 245 CO -0.30 0.09 0.55 0.00 -0.57 0.00 0.00 179.45 179.21 1pn3 h ALA 246 N 0.99 1.06 -0.14 3.86 0.00 -0.26 0.15 119.26 124.91 1pn3 h ALA 246 Ca 0.02 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1pn3 h ALA 246 Cb 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1pn3 h ALA 246 CO -0.00 0.45 -0.42 0.28 0.00 0.00 0.00 179.25 179.55 1pn3 h VAL 247 N 1.12 1.31 0.00 0.00 2.07 -1.02 -2.20 116.25 117.53 1pn3 h VAL 247 Ca 0.31 -1.57 -0.13 0.00 0.82 0.00 0.00 66.70 66.12 1pn3 h VAL 247 Cb -0.12 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1pn3 h VAL 247 CO -0.07 0.48 -0.63 0.03 0.02 0.00 0.00 177.57 177.39 1pn3 h ARG 248 N 0.27 0.00 0.00 1.57 3.08 -0.55 -2.46 114.38 116.29 1pn3 h ARG 248 Ca 0.02 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1pn3 h ARG 248 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1pn3 h ARG 248 CO 0.07 0.63 -0.44 0.00 -1.07 0.00 0.00 179.97 179.16 1pn3 h ALA 249 N 1.37 1.11 0.00 0.04 0.00 -0.31 -2.21 119.26 119.26 1pn3 h ALA 249 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1pn3 h ALA 249 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1pn3 h ALA 249 CO 0.08 0.55 0.00 0.77 0.00 0.00 0.00 179.25 180.65 1pn3 h SER 250 N 0.00 0.00 0.00 0.00 0.02 -1.08 -3.47 113.55 109.02 1pn3 h SER 250 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pn3 h SER 250 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1pn3 h SER 250 CO 0.06 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.36 1pn3 n GLY 251 N 0.73 0.77 3.44 -3.77 0.00 -0.83 -5.07 105.19 100.46 1pn3 n GLY 251 Ca 0.04 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.01 1.58 0.91 1.61 0.52 -0.96 -5.05 118.95 114.56 1pn3 s ARG 252 Ca 0.00 -1.51 -0.12 0.00 -0.52 0.00 0.00 55.73 53.58 1pn3 s ARG 252 Cb 0.00 -1.88 0.14 0.00 0.52 0.00 0.00 34.95 33.73 1pn3 s ARG 252 CO 0.00 0.40 1.13 1.03 0.02 0.00 0.00 175.30 177.88 1pn3 s ARG 253 N -2.72 1.14 0.05 3.54 0.52 -1.26 -4.23 118.95 115.98 1pn3 s ARG 253 Ca 0.22 0.33 0.04 0.00 -0.52 0.00 0.00 55.73 55.80 1pn3 s ARG 253 Cb -0.08 -1.83 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 1pn3 s ARG 253 CO 0.11 -2.21 -0.12 0.42 0.02 0.00 0.00 175.30 173.52 1pn3 s ILE 254 N -3.24 0.88 -0.23 1.52 1.01 0.12 -1.92 121.20 119.35 1pn3 s ILE 254 Ca 0.64 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 1pn3 s ILE 254 Cb -0.15 -0.86 0.07 0.00 0.01 0.00 0.00 42.46 41.53 1pn3 s ILE 254 CO 0.54 -0.18 0.03 -0.69 0.00 0.00 0.00 174.94 174.64 1pn3 s VAL 255 N -1.09 0.88 0.15 2.92 1.01 -1.00 -1.90 120.40 121.37 1pn3 s VAL 255 Ca -0.03 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.04 1pn3 s VAL 255 Cb -0.09 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1pn3 s VAL 255 CO 0.01 -0.29 0.26 -0.22 0.00 0.00 0.00 175.10 174.86 1pn3 s LEU 256 N 1.67 4.26 -0.10 3.92 2.96 0.13 -2.00 118.68 129.51 1pn3 s LEU 256 Ca 0.00 0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1pn3 s LEU 256 Cb -0.18 -2.83 -0.01 0.00 0.50 0.00 0.00 46.19 43.67 1pn3 s LEU 256 CO -0.11 0.05 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.36 1pn3 s SER 257 N -3.21 3.72 0.17 3.68 0.01 -0.79 -0.77 113.70 116.49 1pn3 s SER 257 Ca 0.34 -0.38 -0.15 0.00 1.31 0.00 0.00 55.95 57.08 1pn3 s SER 257 Cb -0.11 -1.36 0.06 0.00 0.21 0.00 0.00 66.02 64.82 1pn3 s SER 257 CO 0.28 0.20 1.81 0.03 0.41 0.00 0.00 173.24 175.97 1pn3 h ARG 258 N 6.42 0.56 0.00 12.44 3.08 -1.60 -3.42 114.38 131.86 1pn3 h ARG 258 Ca -0.28 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1pn3 h ARG 258 Cb 1.20 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1pn3 h ARG 258 CO 0.52 0.37 0.00 0.41 -1.07 0.00 0.00 179.97 180.20 1pn3 n GLY 259 N -1.23 0.73 0.19 0.04 0.00 -1.26 -1.74 105.19 101.92 1pn3 n GLY 259 Ca 0.02 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.28 1pn3 n GLY 259 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1pn3 h TRP 260 N 0.00 0.00 0.00 1.61 4.06 -1.49 -3.21 115.95 116.92 1pn3 h TRP 260 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1pn3 h TRP 260 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1pn3 h TRP 260 CO 0.00 0.08 0.00 0.00 -3.56 0.00 0.00 178.44 174.96 1pn3 n ALA 261 N -2.14 2.47 -2.89 1.49 0.00 -1.12 -4.85 120.51 113.47 1pn3 n ALA 261 Ca 0.03 -0.14 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 1pn3 n ALA 261 Cb 0.57 -1.48 0.03 0.00 0.00 0.00 0.00 19.45 18.56 1pn3 n ALA 261 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pn3 n ASP 262 N -1.27 -6.07 -4.23 0.00 8.00 -0.77 -4.96 116.55 107.25 1pn3 n ASP 262 Ca 0.15 -0.23 -0.34 0.00 0.71 0.00 0.00 54.79 55.08 1pn3 n ASP 262 Cb 0.23 -4.92 0.14 0.00 -0.02 0.00 0.00 41.12 36.54 1pn3 n ASP 262 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1pn3 n LEU 263 N -3.79 -2.36 -3.67 0.64 4.77 -0.71 -4.99 117.00 106.88 1pn3 n LEU 263 Ca -0.14 -0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.67 1pn3 n LEU 263 Cb 0.63 -0.89 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 1pn3 n LEU 263 CO 0.43 -3.14 0.15 0.68 -1.33 0.00 0.00 177.39 174.18 1pn3 s VAL 264 N -2.20 0.06 0.78 4.08 -7.23 -1.26 -4.66 120.40 109.97 1pn3 s VAL 264 Ca 0.52 -0.47 -0.11 0.00 -1.81 0.00 0.00 61.98 60.11 1pn3 s VAL 264 Cb -0.09 -0.94 0.06 0.00 0.56 0.00 0.00 36.38 35.97 1pn3 s VAL 264 CO 0.67 -0.26 1.08 -0.76 -0.31 0.00 0.00 175.10 175.52 1pn3 s LEU 265 N -1.98 2.79 0.00 1.32 1.43 -1.26 -4.98 118.68 116.01 1pn3 s LEU 265 Ca -0.06 1.56 0.15 0.00 -1.03 0.00 0.00 54.13 54.76 1pn3 s LEU 265 Cb -0.01 -4.23 -0.06 0.00 0.03 0.00 0.00 46.19 41.92 1pn3 s LEU 265 CO -0.02 -1.97 0.75 -0.81 0.23 0.00 0.00 176.35 174.53 1pn3 n PRO 266 N -3.46 1.89 -4.06 1.29 -0.04 -1.26 -5.00 135.00 124.36 1pn3 n PRO 266 Ca 0.08 -0.51 -0.13 0.00 -0.04 0.00 0.00 63.50 62.90 1pn3 n PRO 266 Cb 0.54 -1.23 -0.12 0.00 -0.04 0.00 0.00 33.50 32.66 1pn3 n PRO 266 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pn3 s ASP 267 N -2.02 0.76 0.00 3.54 1.01 -1.26 -4.98 116.67 113.71 1pn3 s ASP 267 Ca 0.10 -0.51 0.12 0.00 0.71 0.00 0.00 52.55 52.97 1pn3 s ASP 267 Cb 0.12 0.04 0.72 0.00 1.01 0.00 0.00 42.92 44.80 1pn3 s ASP 267 CO 0.46 -0.20 1.21 -0.90 0.21 0.00 0.00 175.17 175.95 1pn3 n ASP 268 N 1.59 0.00 -4.46 0.27 5.68 -1.26 -4.87 116.55 113.50 1pn3 n ASP 268 Ca -0.22 -0.90 -0.45 0.00 -0.50 0.00 0.00 54.79 52.72 1pn3 n ASP 268 Cb 0.55 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.51 1pn3 n ASP 268 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pn3 n GLY 269 N 0.22 -1.35 0.10 6.12 0.00 -1.26 -4.88 105.19 104.13 1pn3 n GLY 269 Ca 0.09 0.24 0.15 0.00 0.00 0.00 0.00 46.02 46.50 1pn3 n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn3 n ALA 270 N -0.21 2.66 1.43 4.61 0.00 -1.26 -3.41 120.51 124.34 1pn3 n ALA 270 Ca 0.14 -0.24 0.14 0.00 0.00 0.00 0.00 53.44 53.47 1pn3 n ALA 270 Cb 0.31 -1.41 0.49 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.91 1.39 -4.55 0.00 5.75 -1.26 -4.92 116.55 112.05 1pn3 n ASP 271 Ca 0.18 -1.35 -0.26 0.00 -0.01 0.00 0.00 54.79 53.35 1pn3 n ASP 271 Cb 0.22 0.03 -0.11 0.00 -1.03 0.00 0.00 41.12 40.24 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 -2.94 -0.82 -0.08 0.00 5.99 -0.80 -4.92 117.98 114.41 1pn3 s PHE 273 Ca 0.35 1.54 -0.05 0.00 0.00 0.00 0.00 56.93 58.76 1pn3 s PHE 273 Cb 0.09 0.49 -0.04 0.00 0.00 0.00 0.00 43.02 43.56 1pn3 s PHE 273 CO 0.17 -0.41 0.15 0.08 -0.00 0.00 0.00 175.22 175.21 1pn3 s VAL 274 N 1.94 5.46 0.06 3.12 1.01 -1.26 0.17 120.40 130.91 1pn3 s VAL 274 Ca -0.07 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1pn3 s VAL 274 Cb -0.06 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1pn3 s VAL 274 CO -0.17 0.51 -0.14 0.68 0.00 0.00 0.00 175.10 175.98 1pn3 s VAL 275 N -1.14 1.07 0.00 2.92 -7.23 0.05 -4.93 120.40 111.13 1pn3 s VAL 275 Ca 0.20 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1pn3 s VAL 275 Cb -0.12 -1.02 0.00 0.00 0.56 0.00 0.00 36.38 35.79 1pn3 s VAL 275 CO 0.10 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 1pn3 n GLY 276 N 1.45 0.54 3.65 2.32 0.00 -1.26 -1.70 105.19 110.18 1pn3 n GLY 276 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1pn3 n GLY 276 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pn3 s GLU 277 N 3.50 3.98 0.10 1.61 2.56 -1.26 -4.81 118.70 124.38 1pn3 s GLU 277 Ca 0.00 2.27 0.01 0.00 0.00 0.00 0.00 54.97 57.24 1pn3 s GLU 277 Cb 0.00 -4.11 -0.04 0.00 2.00 0.00 0.00 34.13 31.98 1pn3 s GLU 277 CO 0.00 -1.11 -0.03 0.54 -0.56 0.00 0.00 175.26 174.10 1pn3 s VAL 278 N 4.89 0.49 -1.04 3.70 0.11 -1.26 -5.07 120.40 122.23 1pn3 s VAL 278 Ca 0.82 -1.90 -0.22 0.00 -2.93 0.00 0.00 61.98 57.75 1pn3 s VAL 278 Cb -0.36 -1.73 0.06 0.00 -1.53 0.00 0.00 36.38 32.82 1pn3 s VAL 278 CO 0.35 -0.81 1.45 0.21 -3.33 0.00 0.00 175.10 172.96 1pn3 s ASN 279 N -3.03 6.54 0.21 3.54 3.84 -1.26 -4.86 114.94 119.93 1pn3 s ASN 279 Ca 0.13 -1.60 -0.10 0.00 0.21 0.00 0.00 52.86 51.51 1pn3 s ASN 279 Cb 0.06 -2.56 0.29 0.00 -0.55 0.00 0.00 41.25 38.50 1pn3 s ASN 279 CO -0.04 -1.44 1.72 -0.07 -2.79 0.00 0.00 177.10 174.48 1pn3 h LEU 280 N 12.55 0.12 -0.63 3.21 3.38 -1.97 0.44 115.31 132.40 1pn3 h LEU 280 Ca 0.22 0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.41 1pn3 h LEU 280 Cb 1.00 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 1pn3 h LEU 280 CO 1.40 0.07 0.10 1.56 0.09 0.00 0.00 178.44 181.67 1pn3 h GLN 281 N 0.33 0.21 -0.37 1.13 4.20 -1.93 0.60 115.11 119.30 1pn3 h GLN 281 Ca 0.31 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.95 1pn3 h GLN 281 Cb 0.43 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1pn3 h GLN 281 CO -0.35 0.14 0.02 1.49 -0.67 0.00 0.00 178.83 179.45 1pn3 h GLU 282 N 0.22 0.63 -0.32 1.46 4.57 -1.55 -3.15 114.58 116.44 1pn3 h GLU 282 Ca 0.34 -0.19 -0.11 0.00 -1.18 0.00 0.00 59.36 58.21 1pn3 h GLU 282 Cb 0.54 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1pn3 h GLU 282 CO -0.46 0.73 -0.25 1.25 -1.18 0.00 0.00 179.01 179.10 1pn3 h LEU 283 N 0.46 0.77 -2.44 1.64 5.85 0.19 -3.05 115.31 118.73 1pn3 h LEU 283 Ca 0.11 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.39 1pn3 h LEU 283 Cb 0.43 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1pn3 h LEU 283 CO 0.02 1.05 0.05 -0.26 -0.34 0.00 0.00 178.44 178.95 1pn3 h PHE 284 N 0.49 0.00 -0.24 1.25 0.04 0.13 0.33 116.94 118.93 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 0.81 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.96 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 -1.33 0.79 0.87 -1.45 0.00 -1.15 -3.72 105.19 99.20 1pn3 n GLY 285 Ca -0.02 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.72 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 0.24 0.00 -4.30 1.61 1.74 0.11 -5.09 116.66 110.97 1pn3 n ARG 286 Ca 0.09 -1.31 -0.16 0.00 -0.77 0.00 0.00 57.85 55.70 1pn3 n ARG 286 Cb 0.33 -0.28 -0.10 0.00 -1.02 0.00 0.00 32.46 31.40 1pn3 n ARG 286 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1pn3 s VAL 287 N 0.00 1.15 0.11 1.55 -7.23 -1.14 -4.63 120.40 110.20 1pn3 s VAL 287 Ca 0.12 -2.06 -0.12 0.00 -1.81 0.00 0.00 61.98 58.12 1pn3 s VAL 287 Cb 0.14 -2.15 -0.14 0.00 0.56 0.00 0.00 36.38 34.79 1pn3 s VAL 287 CO -0.06 -0.50 1.33 0.00 -0.31 0.00 0.00 175.10 175.56 1pn3 h ALA 288 N 2.58 0.35 -2.39 1.32 0.00 0.47 -3.49 119.26 118.11 1pn3 h ALA 288 Ca -0.38 -0.59 0.17 0.00 0.00 0.00 0.00 54.91 54.11 1pn3 h ALA 288 Cb 1.21 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1pn3 h ALA 288 CO 0.64 0.69 0.57 0.00 0.00 0.00 0.00 179.25 181.15 1pn3 n ALA 289 N -2.60 -2.51 -3.46 0.00 0.00 -1.26 -4.35 120.51 106.33 1pn3 n ALA 289 Ca -0.07 -0.88 -0.17 0.00 0.00 0.00 0.00 53.44 52.32 1pn3 n ALA 289 Cb 0.73 0.45 -0.16 0.00 0.00 0.00 0.00 19.45 20.48 1pn3 n ALA 289 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pn3 s ALA 290 N -1.92 0.36 -0.21 0.00 0.00 -1.10 -0.33 121.76 118.57 1pn3 s ALA 290 Ca 0.21 0.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.17 1pn3 s ALA 290 Cb -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1pn3 s ALA 290 CO 0.04 -0.02 0.03 0.42 0.00 0.00 0.00 175.76 176.23 1pn3 s ILE 291 N 0.70 4.17 0.30 0.00 1.01 0.31 -1.54 121.20 126.16 1pn3 s ILE 291 Ca -0.07 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 1pn3 s ILE 291 Cb -0.11 -2.90 0.05 0.00 0.01 0.00 0.00 42.46 39.51 1pn3 s ILE 291 CO -0.01 0.41 0.70 0.00 0.00 0.00 0.00 174.94 176.04 1pn3 n HIS 292 N 4.31 -1.97 -1.56 3.97 1.44 -0.64 -1.81 115.22 118.96 1pn3 n HIS 292 Ca -0.17 -1.46 -0.31 0.00 -2.01 0.00 0.00 57.72 53.78 1pn3 n HIS 292 Cb 0.52 0.73 0.06 0.00 0.12 0.00 0.00 29.99 31.42 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 -3.17 3.04 -1.05 -1.40 -3.43 -1.24 -1.44 115.29 106.60 1pn3 s HIS 293 Ca 0.14 1.35 -0.23 0.00 -0.80 0.00 0.00 55.06 55.53 1pn3 s HIS 293 Cb -0.04 -2.95 0.01 0.00 -1.43 0.00 0.00 32.58 28.17 1pn3 s HIS 293 CO 0.09 -1.38 1.70 0.34 -2.00 0.00 0.00 174.74 173.49 1pn3 s ASP 294 N -3.82 5.99 0.08 7.38 2.15 -1.24 -4.73 116.67 122.48 1pn3 s ASP 294 Ca 0.59 -1.42 0.03 0.00 0.43 0.00 0.00 52.55 52.17 1pn3 s ASP 294 Cb -0.14 -2.57 -0.03 0.00 -0.30 0.00 0.00 42.92 39.87 1pn3 s ASP 294 CO 0.55 -2.00 -0.08 -0.55 -0.17 0.00 0.00 175.17 172.92 1pn3 s SER 295 N 5.92 1.13 -0.00 -0.34 0.15 -1.26 -4.92 113.70 114.38 1pn3 s SER 295 Ca 0.57 -0.77 -0.14 0.00 0.70 0.00 0.00 55.95 56.30 1pn3 s SER 295 Cb -0.01 0.05 -0.08 0.00 -1.71 0.00 0.00 66.02 64.26 1pn3 s SER 295 CO -0.02 -0.30 0.83 0.00 1.20 0.00 0.00 173.24 174.95 1pn3 h ALA 296 N 3.73 -0.76 -0.60 5.45 0.00 -1.93 -3.16 119.26 122.00 1pn3 h ALA 296 Ca -0.36 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.51 1pn3 h ALA 296 Cb 1.19 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1pn3 h ALA 296 CO 0.52 -0.72 0.28 0.78 0.00 0.00 0.00 179.25 180.11 1pn3 h GLY 297 N -0.74 0.85 1.09 0.00 0.00 -1.95 -2.40 103.07 99.92 1pn3 h GLY 297 Ca -0.05 -0.18 -0.16 0.00 0.00 0.00 0.00 47.33 46.94 1pn3 h GLY 297 CO 0.09 0.07 -0.43 -0.84 0.00 0.00 0.00 176.54 175.42 1pn3 h THR 298 N 0.52 1.28 -0.56 4.70 2.02 -1.95 -2.02 112.91 116.91 1pn3 h THR 298 Ca 0.28 -1.62 -0.00 0.00 0.77 0.00 0.00 66.41 65.84 1pn3 h THR 298 Cb 0.25 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 1pn3 h THR 298 CO -0.22 0.53 0.34 0.74 0.37 0.00 0.00 175.52 177.27 1pn3 h THR 299 N 0.62 1.17 -0.31 3.16 2.02 -1.49 -1.61 112.91 116.47 1pn3 h THR 299 Ca 0.03 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.74 1pn3 h THR 299 Cb 1.03 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1pn3 h THR 299 CO 0.10 0.17 -0.21 0.25 0.37 0.00 0.00 175.52 176.20 1pn3 h LEU 300 N 0.75 0.72 -1.28 2.58 5.85 -1.42 -2.17 115.31 120.33 1pn3 h LEU 300 Ca 0.20 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1pn3 h LEU 300 Cb -0.02 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1pn3 h LEU 300 CO -0.04 1.00 0.39 -0.07 -0.34 0.00 0.00 178.44 179.38 1pn3 h LEU 301 N 0.44 0.77 -0.63 2.25 3.38 -1.18 0.71 115.31 121.06 1pn3 h LEU 301 Ca 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1pn3 h LEU 301 Cb 0.75 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1pn3 h LEU 301 CO 0.06 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.18 1pn3 h ALA 302 N 1.54 1.00 0.22 1.53 0.00 -1.21 -0.82 119.26 121.51 1pn3 h ALA 302 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.84 1pn3 h ALA 302 Cb -0.04 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.78 1pn3 h ALA 302 CO -0.04 0.00 -1.39 1.98 0.00 0.00 0.00 179.25 179.79 1pn3 h MET 303 N 0.00 0.46 0.00 0.00 -1.53 -0.39 -2.49 114.93 110.98 1pn3 h MET 303 Ca 0.00 -0.79 0.00 0.00 -3.44 0.00 0.00 59.70 55.47 1pn3 h MET 303 Cb 0.77 0.30 0.00 0.00 -0.55 0.00 0.00 31.60 32.12 1pn3 h MET 303 CO 0.00 1.38 0.00 2.89 0.14 0.00 0.00 176.91 181.32 1pn3 n ARG 304 N -3.79 0.07 0.15 0.39 1.85 0.06 -2.06 116.66 113.33 1pn3 n ARG 304 Ca -0.18 0.13 0.04 0.00 -1.00 0.00 0.00 57.85 56.84 1pn3 n ARG 304 Cb 1.04 -1.60 0.04 0.00 -1.05 0.00 0.00 32.46 30.89 1pn3 n ARG 304 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pn3 h ALA 305 N 2.74 0.71 0.00 2.89 0.00 -1.04 -3.47 119.26 121.09 1pn3 h ALA 305 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1pn3 h ALA 305 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1pn3 h ALA 305 CO 0.00 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1pn3 n GLY 306 N 1.21 0.45 3.71 0.00 0.00 -0.87 -4.78 105.19 104.91 1pn3 n GLY 306 Ca 0.02 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.00 4.37 1.06 -0.61 -4.36 -1.11 -3.50 121.20 115.06 1pn3 s ILE 307 Ca 0.00 -0.45 -0.12 0.00 -0.26 0.00 0.00 60.65 59.81 1pn3 s ILE 307 Cb 0.00 -2.94 0.20 0.00 1.25 0.00 0.00 42.46 40.97 1pn3 s ILE 307 CO 0.00 0.43 0.91 -0.81 0.24 0.00 0.00 174.94 175.71 1pn3 n PRO 308 N 1.52 -1.47 -4.01 0.37 -0.04 -1.26 -4.65 135.00 125.45 1pn3 n PRO 308 Ca -0.15 -0.38 -0.09 0.00 -0.04 0.00 0.00 63.50 62.84 1pn3 n PRO 308 Cb 0.53 -2.17 -0.11 0.00 -0.04 0.00 0.00 33.50 31.71 1pn3 n PRO 308 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1pn3 s GLN 309 N -4.32 0.40 -0.24 0.54 -0.21 -0.66 -2.72 119.66 112.45 1pn3 s GLN 309 Ca 0.66 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 55.27 1pn3 s GLN 309 Cb -0.23 0.10 0.06 0.00 1.00 0.00 0.00 33.01 33.95 1pn3 s GLN 309 CO 0.63 -0.06 -0.02 0.42 -2.12 0.00 0.00 175.29 174.14 1pn3 s ILE 310 N -2.06 1.35 -0.17 1.08 1.01 -0.59 0.09 121.20 121.91 1pn3 s ILE 310 Ca -0.10 -1.17 -0.06 0.00 0.00 0.00 0.00 60.65 59.32 1pn3 s ILE 310 Cb -0.06 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1pn3 s ILE 310 CO -0.03 -0.18 0.03 -0.69 0.00 0.00 0.00 174.94 174.07 1pn3 s VAL 311 N 1.47 4.51 -0.43 2.92 1.01 -0.18 -1.62 120.40 128.08 1pn3 s VAL 311 Ca -0.03 -0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 1pn3 s VAL 311 Cb -0.18 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.20 1pn3 s VAL 311 CO -0.08 0.47 0.81 -0.69 0.00 0.00 0.00 175.10 175.61 1pn3 s VAL 312 N 0.36 4.64 0.30 2.92 1.01 -0.52 -0.58 120.40 128.52 1pn3 s VAL 312 Ca 0.01 0.62 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 1pn3 s VAL 312 Cb -0.13 -4.31 -0.12 0.00 0.00 0.00 0.00 36.38 31.83 1pn3 s VAL 312 CO 0.01 -0.65 1.52 -1.14 0.00 0.00 0.00 175.10 174.84 1pn3 n ARG 313 N 6.70 2.52 -0.16 2.72 3.00 0.23 -3.61 116.66 128.06 1pn3 n ARG 313 Ca 0.03 0.89 0.00 0.00 -0.00 0.00 0.00 57.85 58.78 1pn3 n ARG 313 Cb 0.48 -2.63 0.26 0.00 0.00 0.00 0.00 32.46 30.58 1pn3 n ARG 313 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 1pn3 h ARG 314 N 4.23 0.87 0.00 -0.14 0.11 -1.93 -2.51 114.38 115.02 1pn3 h ARG 314 Ca -0.47 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 59.53 1pn3 h ARG 314 Cb 1.24 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 32.14 1pn3 h ARG 314 CO 0.75 0.63 0.00 0.28 0.10 0.00 0.00 179.97 181.73 1pn3 n VAL 315 N -4.40 0.00 -2.47 0.08 0.31 -1.26 -3.49 118.33 107.10 1pn3 n VAL 315 Ca 0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.98 1pn3 n VAL 315 Cb 0.08 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.97 1pn3 n VAL 315 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pn3 s VAL 316 N -2.19 3.70 -0.80 2.52 0.11 -1.26 -4.21 120.40 118.27 1pn3 s VAL 316 Ca 0.00 1.51 -0.25 0.00 -2.93 0.00 0.00 61.98 60.31 1pn3 s VAL 316 Cb 0.00 -3.97 -0.05 0.00 -1.53 0.00 0.00 36.38 30.84 1pn3 s VAL 316 CO 0.00 0.28 1.98 -0.62 -3.33 0.00 0.00 175.10 173.41 1pn3 s ASP 317 N -0.23 5.05 0.43 3.54 2.15 -1.26 -4.91 116.67 121.44 1pn3 s ASP 317 Ca 0.49 -0.29 0.08 0.00 0.43 0.00 0.00 52.55 53.26 1pn3 s ASP 317 Cb -0.31 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.77 1pn3 s ASP 317 CO 0.37 -2.74 0.52 0.54 -0.17 0.00 0.00 175.17 173.68 1pn3 s ASN 318 N 8.42 5.43 0.59 -0.34 2.20 -0.96 -5.00 114.94 125.27 1pn3 s ASN 318 Ca 0.72 -0.55 0.31 0.00 -0.94 0.00 0.00 52.86 52.40 1pn3 s ASN 318 Cb -0.09 -0.58 1.81 0.00 -2.00 0.00 0.00 41.25 40.39 1pn3 s ASN 318 CO 0.07 -0.75 2.23 1.62 -2.94 0.00 0.00 177.10 177.32 1pn3 h VAL 319 N 0.74 0.48 -0.73 3.54 3.04 -2.05 -2.61 116.25 118.66 1pn3 h VAL 319 Ca -0.40 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1pn3 h VAL 319 Cb 1.28 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1pn3 h VAL 319 CO 0.49 0.02 0.00 0.55 -1.01 0.00 0.00 177.57 177.62 1pn3 n VAL 320 N -3.72 1.16 0.00 1.51 3.14 -1.26 -4.94 118.33 114.21 1pn3 n VAL 320 Ca -0.03 -1.04 0.00 0.00 -2.96 0.00 0.00 64.34 60.32 1pn3 n VAL 320 Cb 0.11 0.43 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 1pn3 n VAL 320 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1pn3 n GLU 321 N 1.57 0.00 -4.44 1.45 0.00 -0.98 -5.18 120.64 113.05 1pn3 n GLU 321 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 57.20 1pn3 n GLU 321 Cb 0.68 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.98 1pn3 n GLU 321 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1pn3 s GLN 322 N 0.00 1.02 -0.64 3.44 1.11 -1.26 -2.28 119.66 121.04 1pn3 s GLN 322 Ca 0.00 -0.71 -0.26 0.00 0.01 0.00 0.00 55.36 54.40 1pn3 s GLN 322 Cb 0.00 -1.02 -0.03 0.00 -1.01 0.00 0.00 33.01 30.95 1pn3 s GLN 322 CO 0.00 0.26 1.88 0.00 0.01 0.00 0.00 175.29 177.44 1pn3 s ALA 323 N -0.72 2.10 0.02 6.09 0.00 -1.26 -4.89 121.76 123.11 1pn3 s ALA 323 Ca 0.03 -0.75 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 1pn3 s ALA 323 Cb -0.07 -4.34 -0.02 0.00 0.00 0.00 0.00 23.12 18.69 1pn3 s ALA 323 CO 0.01 -4.02 1.11 -0.92 0.00 0.00 0.00 175.76 171.94 1pn3 h TYR 324 N 14.60 -0.33 -0.55 0.00 3.20 -1.97 0.13 116.97 132.04 1pn3 h TYR 324 Ca -0.22 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.65 1pn3 h TYR 324 Cb 1.15 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.54 1pn3 h TYR 324 CO 1.06 -0.10 0.29 0.45 -1.64 0.00 0.00 178.16 178.22 1pn3 h HIS 325 N -0.09 0.77 0.14 -3.82 3.86 -1.91 0.16 115.15 114.26 1pn3 h HIS 325 Ca 0.01 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1pn3 h HIS 325 Cb 0.13 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.31 1pn3 h HIS 325 CO -0.56 0.57 -0.42 0.00 0.86 0.00 0.00 177.93 178.38 1pn3 h ALA 326 N 1.13 -0.76 -0.51 2.45 0.00 -1.89 -0.37 119.26 119.30 1pn3 h ALA 326 Ca 0.19 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1pn3 h ALA 326 Cb 0.07 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1pn3 h ALA 326 CO -0.03 -0.99 0.30 -0.44 0.00 0.00 0.00 179.25 178.09 1pn3 h ASP 327 N -0.67 0.48 -0.89 0.00 3.32 -0.52 -2.42 116.42 115.72 1pn3 h ASP 327 Ca 0.02 0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.23 1pn3 h ASP 327 Cb 0.69 -0.09 -0.10 0.00 0.22 0.00 0.00 39.33 40.05 1pn3 h ASP 327 CO -0.23 0.34 0.48 0.03 -1.72 0.00 0.00 179.24 178.13 1pn3 h ARG 328 N 0.59 0.64 -0.44 3.56 2.47 -0.10 0.16 114.38 121.27 1pn3 h ARG 328 Ca 0.21 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.82 1pn3 h ARG 328 Cb 0.04 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.19 1pn3 h ARG 328 CO -0.10 0.43 -0.03 0.28 0.56 0.00 0.00 179.97 181.10 1pn3 h VAL 329 N 0.66 1.24 -0.07 2.04 2.07 -0.59 -0.04 116.25 121.56 1pn3 h VAL 329 Ca 0.49 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1pn3 h VAL 329 Cb 0.70 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1pn3 h VAL 329 CO -0.37 0.35 -0.05 0.00 0.02 0.00 0.00 177.57 177.53 1pn3 h ALA 330 N 1.29 0.10 -0.33 1.67 0.00 -0.81 -0.18 119.26 120.99 1pn3 h ALA 330 Ca 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1pn3 h ALA 330 Cb 0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1pn3 h ALA 330 CO 0.02 -0.12 0.13 0.93 0.00 0.00 0.00 179.25 180.21 1pn3 h GLU 331 N -0.25 0.46 0.00 0.00 5.08 -0.56 -0.59 114.58 118.71 1pn3 h GLU 331 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1pn3 h GLU 331 Cb 0.52 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1pn3 h GLU 331 CO 0.01 0.38 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.17 1pn3 h LEU 332 N 0.46 0.00 0.92 1.33 3.38 -0.94 -3.48 115.31 116.99 1pn3 h LEU 332 Ca 0.12 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1pn3 h LEU 332 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1pn3 h LEU 332 CO -0.01 0.02 -0.18 0.61 0.09 0.00 0.00 178.44 178.97 1pn3 n GLY 333 N 1.27 0.10 0.66 0.83 0.00 -0.23 -4.92 105.19 102.89 1pn3 n GLY 333 Ca 0.05 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.55 1pn3 n GLY 333 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1pn3 n VAL 334 N -3.99 0.20 -3.73 1.61 0.24 -0.21 -4.56 118.33 107.90 1pn3 n VAL 334 Ca -0.08 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 1pn3 n VAL 334 Cb 0.56 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 1pn3 n VAL 334 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pn3 n GLY 335 N 0.86 0.82 3.26 7.63 0.00 -1.16 -1.66 105.19 114.96 1pn3 n GLY 335 Ca 0.10 -0.86 -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 -2.27 1.70 -0.13 1.61 1.01 0.11 -4.19 120.40 118.25 1pn3 s VAL 336 Ca 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 60.71 1pn3 s VAL 336 Cb -0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 1pn3 s VAL 336 CO 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 175.10 175.18 1pn3 s ALA 337 N -0.85 2.78 0.00 5.51 0.00 -1.26 -1.01 121.76 126.93 1pn3 s ALA 337 Ca 0.08 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.25 1pn3 s ALA 337 Cb -0.09 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 1pn3 s ALA 337 CO 0.02 0.27 -0.24 0.14 0.00 0.00 0.00 175.76 175.95 1pn3 s VAL 338 N 0.24 2.29 0.57 0.00 -7.23 0.25 -4.94 120.40 111.58 1pn3 s VAL 338 Ca -0.06 -1.15 -0.17 0.00 -1.81 0.00 0.00 61.98 58.79 1pn3 s VAL 338 Cb -0.15 -1.85 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 1pn3 s VAL 338 CO 0.04 0.50 1.05 -1.81 -0.31 0.00 0.00 175.10 174.57 1pn3 s ASP 339 N -0.89 5.93 0.00 4.85 1.01 -1.26 0.76 116.67 127.06 1pn3 s ASP 339 Ca 0.11 1.84 0.00 0.00 0.71 0.00 0.00 52.55 55.22 1pn3 s ASP 339 Cb -0.10 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1pn3 s ASP 339 CO 0.01 -1.07 0.00 0.61 0.21 0.00 0.00 175.17 174.93 1pn3 n GLY 340 N -0.81 5.39 0.28 0.21 0.00 -0.94 -3.53 105.19 105.79 1pn3 n GLY 340 Ca 0.09 -1.44 0.06 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 0.23 -3.41 1.61 0.11 -1.78 -3.41 132.00 125.35 1pn3 h PRO 341 Ca 0.00 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.44 1pn3 h PRO 341 Cb 0.00 -0.05 -0.39 0.00 0.11 0.00 0.00 31.00 30.66 1pn3 h PRO 341 CO 0.00 0.16 -0.54 0.08 -0.21 0.00 0.00 178.00 177.48 1pn3 s VAL 342 N -5.23 2.94 0.64 3.15 1.01 -1.26 -4.62 120.40 117.04 1pn3 s VAL 342 Ca -0.06 -3.30 -0.18 0.00 0.00 0.00 0.00 61.98 58.44 1pn3 s VAL 342 Cb 0.17 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1pn3 s VAL 342 CO 0.70 -0.84 1.15 -0.81 0.00 0.00 0.00 175.10 175.30 1pn3 n PRO 343 N 3.12 0.96 -1.22 2.72 -0.04 -1.23 -4.97 135.00 134.34 1pn3 n PRO 343 Ca 0.07 0.38 -0.31 0.00 -0.04 0.00 0.00 63.50 63.60 1pn3 n PRO 343 Cb 0.34 -2.38 0.10 0.00 -0.04 0.00 0.00 33.50 31.52 1pn3 n PRO 343 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1pn3 s THR 344 N -1.48 3.20 0.26 0.52 -4.23 -1.26 -4.89 115.64 107.76 1pn3 s THR 344 Ca 0.80 0.39 0.06 0.00 -1.18 0.00 0.00 61.69 61.76 1pn3 s THR 344 Cb -0.39 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.60 1pn3 s THR 344 CO 0.43 -0.51 1.62 0.40 -0.54 0.00 0.00 174.62 176.02 1pn3 h ILE 345 N -1.21 1.37 0.05 2.99 2.04 -1.93 -2.75 117.51 118.08 1pn3 h ILE 345 Ca -0.44 -1.85 -0.00 0.00 1.00 0.00 0.00 64.86 63.57 1pn3 h ILE 345 Cb 1.24 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 1pn3 h ILE 345 CO 0.51 0.54 -0.03 0.44 0.00 0.00 0.00 178.15 179.62 1pn3 h ASP 346 N 0.15 -0.06 -0.61 1.72 3.32 -1.96 0.86 116.42 119.84 1pn3 h ASP 346 Ca 0.00 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 56.96 1pn3 h ASP 346 Cb 1.01 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.51 1pn3 h ASP 346 CO 0.08 0.13 0.29 0.77 -1.72 0.00 0.00 179.24 178.79 1pn3 h SER 347 N -0.25 0.38 0.10 6.45 4.64 -1.92 0.24 113.55 123.20 1pn3 h SER 347 Ca -0.01 0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 1pn3 h SER 347 Cb 0.22 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1pn3 h SER 347 CO 0.01 0.24 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.70 1pn3 h LEU 348 N 0.53 0.45 -0.38 5.97 3.38 -1.33 0.29 115.31 124.22 1pn3 h LEU 348 Ca 0.29 -0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 1pn3 h LEU 348 Cb 0.26 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1pn3 h LEU 348 CO -0.23 0.84 -0.45 0.28 0.09 0.00 0.00 178.44 178.97 1pn3 h SER 349 N 0.34 0.96 0.24 -0.43 0.02 -0.12 0.15 113.55 114.71 1pn3 h SER 349 Ca 0.03 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1pn3 h SER 349 Cb 0.92 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1pn3 h SER 349 CO 0.08 1.26 -0.11 0.00 -1.14 0.00 0.00 176.83 176.91 1pn3 h ALA 350 N 0.78 -0.32 -0.69 3.77 0.00 -0.39 -1.09 119.26 121.32 1pn3 h ALA 350 Ca 0.04 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.89 1pn3 h ALA 350 Cb 1.04 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 1pn3 h ALA 350 CO 0.10 -0.50 0.27 0.00 0.00 0.00 0.00 179.25 179.12 1pn3 h ALA 351 N -0.05 0.94 -0.59 0.00 0.00 -0.41 0.94 119.26 120.08 1pn3 h ALA 351 Ca -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1pn3 h ALA 351 Cb 0.47 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1pn3 h ALA 351 CO 0.05 -0.20 0.29 1.25 0.00 0.00 0.00 179.25 180.65 1pn3 h LEU 352 N 0.43 0.76 -1.06 0.00 5.85 -0.62 -0.65 115.31 120.02 1pn3 h LEU 352 Ca 0.37 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 1pn3 h LEU 352 Cb 0.51 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1pn3 h LEU 352 CO -0.36 0.67 -0.23 0.44 -0.34 0.00 0.00 178.44 178.62 1pn3 h ASP 353 N 0.80 0.39 -0.00 1.25 3.45 0.24 -2.00 116.42 120.55 1pn3 h ASP 353 Ca 0.20 -0.12 -0.00 0.00 0.43 0.00 0.00 57.03 57.54 1pn3 h ASP 353 Cb 0.10 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 38.76 1pn3 h ASP 353 CO -0.03 0.63 -0.00 0.74 -1.57 0.00 0.00 179.24 179.01 1pn3 h THR 354 N 0.36 1.35 -0.29 0.35 2.02 -0.65 -3.26 112.91 112.80 1pn3 h THR 354 Ca 0.06 -1.04 0.06 0.00 0.77 0.00 0.00 66.41 66.26 1pn3 h THR 354 Cb 0.60 2.05 -0.05 0.00 -1.74 0.00 0.00 68.15 69.01 1pn3 h THR 354 CO 0.04 0.27 -0.05 0.00 0.37 0.00 0.00 175.52 176.16 1pn3 h ALA 355 N 0.56 0.22 0.00 6.16 0.00 -0.94 -1.00 119.26 124.26 1pn3 h ALA 355 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pn3 h ALA 355 Cb 0.44 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1pn3 h ALA 355 CO 0.00 -0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.08 1pn3 n LEU 356 N -5.22 0.61 -4.81 0.00 4.77 -0.77 -3.61 117.00 107.97 1pn3 n LEU 356 Ca -0.00 -0.30 -0.38 0.00 -0.03 0.00 0.00 56.01 55.29 1pn3 n LEU 356 Cb 0.16 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 1pn3 n LEU 356 CO 0.21 0.15 0.16 0.00 -1.33 0.00 0.00 177.39 176.59 1pn3 s ALA 357 N -1.34 3.63 0.13 -1.18 0.00 -0.38 -4.84 121.76 117.78 1pn3 s ALA 357 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 1pn3 s ALA 357 Cb 0.00 -2.50 0.16 0.00 0.00 0.00 0.00 23.12 20.79 1pn3 s ALA 357 CO 0.00 0.38 0.82 -2.30 0.00 0.00 0.00 175.76 174.66 1pn3 n PRO 358 N 2.12 -0.10 -0.21 0.00 -0.02 -1.26 -0.51 135.00 135.02 1pn3 n PRO 358 Ca -0.12 0.82 -0.02 0.00 -2.02 0.00 0.00 63.50 62.16 1pn3 n PRO 358 Cb 0.52 -1.22 0.05 0.00 -0.02 0.00 0.00 33.50 32.83 1pn3 n PRO 358 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1pn3 h GLU 359 N 0.00 -0.06 0.22 -0.52 4.81 -1.93 -2.04 114.58 115.07 1pn3 h GLU 359 Ca 0.21 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.10 1pn3 h GLU 359 Cb 0.34 0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.76 1pn3 h GLU 359 CO -0.53 -0.04 -1.57 0.82 -0.73 0.00 0.00 179.01 176.96 1pn3 h ILE 360 N -0.06 1.17 0.00 2.32 2.04 -1.03 -2.58 117.51 119.37 1pn3 h ILE 360 Ca 0.28 -2.66 0.00 0.00 1.00 0.00 0.00 64.86 63.48 1pn3 h ILE 360 Cb 0.50 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 1pn3 h ILE 360 CO -0.66 0.83 0.00 -1.14 0.00 0.00 0.00 178.15 177.18 1pn3 n ARG 361 N -3.66 0.21 0.01 2.37 0.63 -0.36 -1.58 116.66 114.28 1pn3 n ARG 361 Ca -0.19 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.73 1pn3 n ARG 361 Cb 1.09 -1.16 -0.00 0.00 0.45 0.00 0.00 32.46 32.84 1pn3 n ARG 361 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pn3 n ALA 362 N -0.66 2.96 0.08 5.13 0.00 -0.80 -4.26 120.51 122.96 1pn3 n ALA 362 Ca 0.02 -0.02 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1pn3 n ALA 362 Cb 0.01 0.43 0.73 0.00 0.00 0.00 0.00 19.45 20.61 1pn3 n ALA 362 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1pn3 h ARG 363 N -0.02 0.00 -0.02 0.00 9.65 -1.14 -0.11 114.38 122.74 1pn3 h ARG 363 Ca -0.01 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.76 1pn3 h ARG 363 Cb 0.75 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.34 1pn3 h ARG 363 CO -0.01 0.00 -0.40 0.00 2.80 0.00 0.00 179.97 182.36 1pn3 h ALA 364 N 1.73 0.07 0.00 2.80 0.00 -1.53 -0.39 119.26 121.94 1pn3 h ALA 364 Ca 0.18 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1pn3 h ALA 364 Cb 0.81 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1pn3 h ALA 364 CO -0.00 0.21 -0.17 1.15 0.00 0.00 0.00 179.25 180.44 1pn3 h THR 365 N -0.26 0.67 0.01 0.00 2.02 -1.16 -1.81 112.91 112.37 1pn3 h THR 365 Ca -0.05 -0.71 -0.13 0.00 0.77 0.00 0.00 66.41 66.30 1pn3 h THR 365 Cb 1.12 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 1pn3 h THR 365 CO 0.08 0.16 -0.71 0.74 0.37 0.00 0.00 175.52 176.16 1pn3 h THR 366 N 0.00 1.32 -0.14 3.16 2.02 -1.11 -3.33 112.91 114.83 1pn3 h THR 366 Ca -0.00 -2.28 0.04 0.00 0.77 0.00 0.00 66.41 64.94 1pn3 h THR 366 Cb 0.43 2.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 1pn3 h THR 366 CO 0.02 0.48 0.12 0.58 0.37 0.00 0.00 175.52 177.10 1pn3 h VAL 367 N -0.93 0.67 -0.81 3.16 2.07 -0.96 -2.37 116.25 117.07 1pn3 h VAL 367 Ca -0.19 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.53 1pn3 h VAL 367 Cb 1.22 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1pn3 h VAL 367 CO -0.09 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.05 1pn3 h ALA 368 N 1.88 2.39 -0.01 1.67 0.00 -1.44 -0.77 119.26 122.98 1pn3 h ALA 368 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pn3 h ALA 368 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1pn3 h ALA 368 CO -0.00 -0.63 -0.16 -0.25 0.00 0.00 0.00 179.25 178.22 1pn3 n ASP 369 N -4.43 0.96 -0.67 0.00 8.00 -0.89 -3.46 116.55 116.07 1pn3 n ASP 369 Ca 0.17 -0.95 0.13 0.00 0.71 0.00 0.00 54.79 54.85 1pn3 n ASP 369 Cb 0.71 0.05 0.34 0.00 -0.02 0.00 0.00 41.12 42.20 1pn3 n ASP 369 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1pn3 n THR 370 N -0.55 0.00 -2.66 -3.53 -2.24 -0.30 -4.90 114.28 100.10 1pn3 n THR 370 Ca 0.15 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 1pn3 n THR 370 Cb 0.32 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 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 -2.02 4.64 0.13 2.28 -1.09 -1.22 -4.82 121.20 119.08 1pn3 s ILE 371 Ca 0.33 1.94 -0.31 0.00 -2.23 0.00 0.00 60.65 60.38 1pn3 s ILE 371 Cb 0.20 -4.24 -0.08 0.00 -1.58 0.00 0.00 42.46 36.76 1pn3 s ILE 371 CO 0.33 0.18 1.43 -0.13 -1.23 0.00 0.00 174.94 175.52 1pn3 s ARG 372 N 0.82 4.29 -0.02 2.79 1.81 -1.26 -4.94 118.95 122.44 1pn3 s ARG 372 Ca 0.52 2.15 0.13 0.00 -1.72 0.00 0.00 55.73 56.81 1pn3 s ARG 372 Cb -0.23 -3.22 0.38 0.00 -0.45 0.00 0.00 34.95 31.43 1pn3 s ARG 372 CO 0.29 -0.48 1.32 0.00 -0.68 0.00 0.00 175.30 175.75 1pn3 n ALA 373 N 3.93 2.31 -1.18 2.13 0.00 -1.26 -4.60 120.51 121.85 1pn3 n ALA 373 Ca 0.12 -1.29 0.09 0.00 0.00 0.00 0.00 53.44 52.36 1pn3 n ALA 373 Cb 0.41 -0.54 0.13 0.00 0.00 0.00 0.00 19.45 19.45 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 0.57 2.12 -0.30 0.00 5.75 -1.26 -4.83 116.55 118.61 1pn3 n ASP 374 Ca 0.15 -3.04 0.07 0.00 -0.01 0.00 0.00 54.79 51.95 1pn3 n ASP 374 Cb 0.51 -0.42 0.22 0.00 -1.03 0.00 0.00 41.12 40.40 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 0.06 1.38 1.60 6.12 0.00 -1.69 -1.26 103.07 109.27 1pn3 h GLY 375 Ca -0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 1pn3 h GLY 375 CO 0.00 -0.01 -0.19 -0.91 0.00 0.00 0.00 176.54 175.43 1pn3 h THR 376 N 0.66 1.25 -0.24 4.70 1.35 -1.86 -2.38 112.91 116.39 1pn3 h THR 376 Ca 0.46 -1.14 -0.12 0.00 -0.55 0.00 0.00 66.41 65.06 1pn3 h THR 376 Cb 0.61 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1pn3 h THR 376 CO -0.34 0.37 -0.30 0.74 -0.25 0.00 0.00 175.52 175.73 1pn3 h THR 377 N 0.43 1.32 -0.74 6.82 2.02 -1.66 -2.10 112.91 118.99 1pn3 h THR 377 Ca 0.07 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 65.74 1pn3 h THR 377 Cb 0.58 1.72 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 1pn3 h THR 377 CO 0.04 0.47 0.38 0.58 0.37 0.00 0.00 175.52 177.36 1pn3 h VAL 378 N 0.33 1.23 -0.48 3.16 2.07 -1.14 -0.84 116.25 120.58 1pn3 h VAL 378 Ca 0.03 -0.61 -0.14 0.00 0.82 0.00 0.00 66.70 66.80 1pn3 h VAL 378 Cb 0.88 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1pn3 h VAL 378 CO 0.07 0.26 -0.24 0.00 0.02 0.00 0.00 177.57 177.69 1pn3 h ALA 379 N 1.37 0.67 -0.37 1.67 0.00 -1.40 -1.48 119.26 119.72 1pn3 h ALA 379 Ca 0.26 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1pn3 h ALA 379 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1pn3 h ALA 379 CO -0.04 0.68 0.17 0.00 0.00 0.00 0.00 179.25 180.06 1pn3 h ALA 380 N 0.86 0.48 -0.55 0.00 0.00 -0.75 -0.28 119.26 119.02 1pn3 h ALA 380 Ca 0.11 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1pn3 h ALA 380 Cb 0.82 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1pn3 h ALA 380 CO 0.07 0.05 -0.08 1.96 0.00 0.00 0.00 179.25 181.25 1pn3 h GLN 381 N 0.45 1.02 0.00 0.00 4.20 -1.15 0.04 115.11 119.67 1pn3 h GLN 381 Ca 0.13 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 1pn3 h GLN 381 Cb 0.14 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1pn3 h GLN 381 CO -0.01 1.04 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.98 1pn3 h LEU 382 N 0.91 0.00 -0.11 1.46 3.38 -0.98 -1.10 115.31 118.87 1pn3 h LEU 382 Ca 0.15 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 1pn3 h LEU 382 Cb 0.64 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1pn3 h LEU 382 CO 0.04 0.14 -0.55 -0.07 0.09 0.00 0.00 178.44 178.09 1pn3 h LEU 383 N 0.00 0.68 -0.61 1.67 3.38 -0.23 -2.54 115.31 117.65 1pn3 h LEU 383 Ca -0.00 -0.64 0.05 0.00 0.09 0.00 0.00 57.88 57.37 1pn3 h LEU 383 Cb 0.25 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1pn3 h LEU 383 CO 0.02 1.21 0.35 0.15 0.09 0.00 0.00 178.44 180.25 1pn3 h PHE 384 N 0.19 0.64 -0.50 1.13 3.04 -0.29 -2.28 116.94 118.86 1pn3 h PHE 384 Ca -0.04 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 1pn3 h PHE 384 Cb 1.20 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.49 1pn3 h PHE 384 CO 0.11 0.33 0.23 -0.44 -2.02 0.00 0.00 178.31 176.51 1pn3 h ASP 385 N 0.66 0.67 0.39 0.41 3.32 -1.23 -2.22 116.42 118.43 1pn3 h ASP 385 Ca 0.27 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1pn3 h ASP 385 Cb 0.12 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1pn3 h ASP 385 CO -0.15 0.63 -0.44 0.00 -1.72 0.00 0.00 179.24 177.56 1pn3 h ALA 386 N 1.07 -1.08 -0.82 3.45 0.00 -1.01 -0.04 119.26 120.83 1pn3 h ALA 386 Ca 0.17 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1pn3 h ALA 386 Cb 0.15 0.69 -0.11 0.00 0.00 0.00 0.00 17.79 18.52 1pn3 h ALA 386 CO -0.02 -1.12 0.34 0.28 0.00 0.00 0.00 179.25 178.73 1pn3 h VAL 387 N -0.85 0.58 -0.16 0.00 2.07 -1.39 -1.60 116.25 114.90 1pn3 h VAL 387 Ca -0.05 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1pn3 h VAL 387 Cb 0.75 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1pn3 h VAL 387 CO -0.08 0.08 0.03 0.28 0.02 0.00 0.00 177.57 177.90 1pn3 h SER 388 N 0.43 0.24 0.00 0.57 0.02 -1.11 -3.07 113.55 110.64 1pn3 h SER 388 Ca 0.48 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1pn3 h SER 388 Cb 0.80 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1pn3 h SER 388 CO -0.46 0.42 0.00 0.18 -1.14 0.00 0.00 176.83 175.83 1pn3 n LEU 389 N -4.81 0.32 0.11 5.07 4.77 -0.05 -4.31 117.00 118.10 1pn3 n LEU 389 Ca -0.05 0.05 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1pn3 n LEU 389 Cb 0.17 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.56 1pn3 n LEU 389 CO 0.35 0.00 0.71 -1.84 -1.33 0.00 0.00 177.39 175.29 1pn3 n GLU 390 N -0.11 0.07 0.00 3.23 0.28 -0.91 -5.09 120.64 118.12 1pn3 n GLU 390 Ca 0.00 0.52 0.06 0.00 -0.16 0.00 0.00 57.16 57.58 1pn3 n GLU 390 Cb 0.00 -1.92 0.05 0.00 1.43 0.00 0.00 31.44 31.00 1pn3 n GLU 390 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60