#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dl4 n GLY 2 N 0.00 4.00 0.88 -1.84 0.00 -1.26 -4.92 105.19 102.05 3dl4 n GLY 2 Ca 0.00 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.35 3dl4 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dl4 n ARG 3 N 0.00 2.73 -4.46 1.61 3.00 -1.26 -5.03 116.66 113.26 3dl4 n ARG 3 Ca 0.00 -2.23 -0.29 0.00 -0.01 0.00 0.00 57.85 55.32 3dl4 n ARG 3 Cb 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 32.46 31.01 3dl4 n ARG 3 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 3dl4 s GLU 4 N -1.02 2.15 -0.10 5.56 -1.05 -1.26 -5.05 118.70 117.93 3dl4 s GLU 4 Ca 0.32 -2.15 -0.29 0.00 -0.15 0.00 0.00 54.97 52.70 3dl4 s GLU 4 Cb 0.17 -1.74 -0.06 0.00 -0.44 0.00 0.00 34.13 32.05 3dl4 s GLU 4 CO 0.22 -0.26 1.96 0.34 0.95 0.00 0.00 175.26 178.47 3dl4 s ASP 5 N -3.90 6.14 0.59 0.83 -1.08 -1.26 -4.87 116.67 113.13 3dl4 s ASP 5 Ca 0.25 2.21 0.29 0.00 -0.52 0.00 0.00 52.55 54.78 3dl4 s ASP 5 Cb 0.04 -2.52 1.61 0.00 -1.46 0.00 0.00 42.92 40.58 3dl4 s ASP 5 CO 0.14 -1.37 2.04 1.55 0.52 0.00 0.00 175.17 178.05 3dl4 h PRO 6 N 11.94 0.00 0.00 4.34 0.13 -1.98 -2.70 132.00 143.73 3dl4 h PRO 6 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3dl4 h PRO 6 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3dl4 h PRO 6 CO 0.96 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.77 3dl4 n GLN 7 N -3.74 0.06 0.00 0.86 1.13 -1.26 -3.84 117.38 110.59 3dl4 n GLN 7 Ca 0.03 0.06 0.09 0.00 -1.94 0.00 0.00 57.00 55.25 3dl4 n GLN 7 Cb 0.43 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.32 3dl4 n GLN 7 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3dl4 n LEU 8 N -1.47 2.25 -4.57 1.08 4.77 -1.02 -4.87 117.00 113.18 3dl4 n LEU 8 Ca 0.07 -0.92 -0.37 0.00 -0.03 0.00 0.00 56.01 54.76 3dl4 n LEU 8 Cb 0.28 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.26 3dl4 n LEU 8 CO 0.23 0.40 -0.21 -0.76 -1.33 0.00 0.00 177.39 175.72 3dl4 s LEU 9 N -1.74 3.87 0.05 2.23 1.43 -1.25 -0.88 118.68 122.39 3dl4 s LEU 9 Ca 0.19 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 3dl4 s LEU 9 Cb 0.15 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 3dl4 s LEU 9 CO 0.30 -0.01 -0.12 -0.69 0.23 0.00 0.00 176.35 176.06 3dl4 s VAL 10 N 1.50 0.96 -0.14 -1.59 1.01 -0.88 -5.00 120.40 116.26 3dl4 s VAL 10 Ca 0.07 -1.11 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 3dl4 s VAL 10 Cb -0.15 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 3dl4 s VAL 10 CO 0.07 -0.17 -0.03 -0.60 0.00 0.00 0.00 175.10 174.37 3dl4 s ARG 11 N -1.44 3.47 0.45 2.72 3.52 -1.26 -0.24 118.95 126.17 3dl4 s ARG 11 Ca -0.02 -0.50 0.05 0.00 -0.13 0.00 0.00 55.73 55.13 3dl4 s ARG 11 Cb -0.09 -2.87 -0.05 0.00 -1.56 0.00 0.00 34.95 30.38 3dl4 s ARG 11 CO 0.01 0.37 0.04 0.14 -0.81 0.00 0.00 175.30 175.06 3dl4 s VAL 12 N 0.03 1.75 0.60 7.11 -7.23 0.71 -4.85 120.40 118.52 3dl4 s VAL 12 Ca 0.01 -1.94 0.28 0.00 -1.81 0.00 0.00 61.98 58.52 3dl4 s VAL 12 Cb -0.13 -2.69 0.37 0.00 0.56 0.00 0.00 36.38 34.49 3dl4 s VAL 12 CO 0.02 0.00 1.82 -0.09 -0.31 0.00 0.00 175.10 176.54 3dl4 h ARG 13 N 1.55 0.00 -0.01 4.82 9.65 -1.95 0.13 114.38 128.58 3dl4 h ARG 13 Ca -0.44 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 3dl4 h ARG 13 Cb 1.27 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 3dl4 h ARG 13 CO 0.76 0.00 -0.72 0.41 2.80 0.00 0.00 179.97 183.22 3dl4 n GLY 14 N -1.51 -0.49 0.00 2.80 0.00 -1.26 -4.91 105.19 99.83 3dl4 n GLY 14 Ca 0.09 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3dl4 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dl4 n GLY 15 N 1.41 0.31 3.82 -0.02 0.00 0.47 -0.99 105.19 110.18 3dl4 n GLY 15 Ca 0.06 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 3dl4 n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dl4 s GLN 16 N -2.00 3.36 0.04 1.61 -0.21 -1.25 -0.21 119.66 121.00 3dl4 s GLN 16 Ca 0.00 -0.21 0.06 0.00 0.02 0.00 0.00 55.36 55.23 3dl4 s GLN 16 Cb 0.00 -3.10 -0.02 0.00 1.00 0.00 0.00 33.01 30.89 3dl4 s GLN 16 CO 0.00 0.73 -0.17 -0.51 -2.12 0.00 0.00 175.29 173.22 3dl4 s LEU 17 N -0.91 2.15 -0.21 2.90 1.43 0.67 0.90 118.68 125.61 3dl4 s LEU 17 Ca 0.14 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 3dl4 s LEU 17 Cb -0.12 -0.79 -0.01 0.00 0.03 0.00 0.00 46.19 45.31 3dl4 s LEU 17 CO 0.03 0.11 -0.05 -0.60 0.23 0.00 0.00 176.35 176.07 3dl4 s ARG 18 N -1.07 3.37 0.05 1.70 3.52 -0.26 -2.08 118.95 124.20 3dl4 s ARG 18 Ca 0.05 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 3dl4 s ARG 18 Cb -0.08 -2.97 0.01 0.00 -1.56 0.00 0.00 34.95 30.35 3dl4 s ARG 18 CO 0.01 -0.16 0.07 0.41 -0.81 0.00 0.00 175.30 174.82 3dl4 n GLY 19 N 4.68 0.91 3.12 8.12 0.00 -0.06 -1.03 105.19 120.94 3dl4 n GLY 19 Ca -0.18 -1.98 -0.19 0.00 0.00 0.00 0.00 46.02 43.66 3dl4 n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3dl4 s ILE 20 N 0.08 1.01 -0.12 -0.61 2.07 0.36 -4.80 121.20 119.20 3dl4 s ILE 20 Ca 0.05 -0.96 -0.21 0.00 -1.41 0.00 0.00 60.65 58.11 3dl4 s ILE 20 Cb -0.00 -0.93 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 3dl4 s ILE 20 CO 0.03 -0.03 0.63 -0.60 -1.91 0.00 0.00 174.94 173.06 3dl4 s ARG 21 N -1.13 4.34 0.14 3.50 3.52 -1.26 -0.86 118.95 127.21 3dl4 s ARG 21 Ca 0.00 0.70 0.10 0.00 -0.13 0.00 0.00 55.73 56.40 3dl4 s ARG 21 Cb -0.08 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 3dl4 s ARG 21 CO 0.01 -0.01 -0.23 -0.51 -0.81 0.00 0.00 175.30 173.75 3dl4 s LEU 22 N 1.11 2.35 -0.17 -0.88 1.43 0.26 -4.94 118.68 117.83 3dl4 s LEU 22 Ca 0.32 -0.76 -0.23 0.00 -1.03 0.00 0.00 54.13 52.43 3dl4 s LEU 22 Cb -0.16 -1.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 3dl4 s LEU 22 CO 0.14 0.10 0.73 -0.54 0.23 0.00 0.00 176.35 177.01 3dl4 s LYS 23 N -2.20 4.27 0.34 1.70 1.02 -1.26 -0.51 119.74 123.10 3dl4 s LYS 23 Ca 0.13 0.82 0.07 0.00 0.02 0.00 0.00 55.97 57.01 3dl4 s LYS 23 Cb -0.09 -3.56 -0.02 0.00 -0.52 0.00 0.00 37.83 33.64 3dl4 s LYS 23 CO 0.06 -0.25 0.37 0.00 -0.92 0.00 0.00 175.35 174.61 3dl4 s ALA 24 N 1.92 4.03 0.25 5.17 0.00 0.22 -4.93 121.76 128.41 3dl4 s ALA 24 Ca 0.34 -1.57 -0.11 0.00 0.00 0.00 0.00 51.96 50.62 3dl4 s ALA 24 Cb -0.16 -1.40 0.36 0.00 0.00 0.00 0.00 23.12 21.92 3dl4 s ALA 24 CO 0.12 -0.01 1.59 -1.35 0.00 0.00 0.00 175.76 176.10 3dl4 h PRO 25 N 1.08 -0.01 -0.60 0.00 0.11 -1.96 -2.58 132.00 128.05 3dl4 h PRO 25 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3dl4 h PRO 25 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3dl4 h PRO 25 CO 0.56 -0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.75 3dl4 n GLY 26 N -1.54 2.87 0.00 -0.55 0.00 -1.26 -5.04 105.19 99.67 3dl4 n GLY 26 Ca 0.12 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3dl4 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dl4 n GLY 27 N 0.94 0.37 3.84 -0.02 0.00 -0.97 -5.08 105.19 104.27 3dl4 n GLY 27 Ca 0.25 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 3dl4 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dl4 s PRO 28 N -1.36 3.95 0.12 1.61 0.04 -1.26 -0.61 135.00 137.48 3dl4 s PRO 28 Ca 0.00 0.94 0.05 0.00 0.04 0.00 0.00 61.00 62.03 3dl4 s PRO 28 Cb 0.00 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3dl4 s PRO 28 CO 0.00 -0.26 -0.12 0.14 0.04 0.00 0.00 177.00 176.80 3dl4 s VAL 29 N -2.61 1.17 -0.12 -0.36 -7.23 0.34 -3.85 120.40 107.74 3dl4 s VAL 29 Ca 0.59 -1.75 -0.15 0.00 -1.81 0.00 0.00 61.98 58.85 3dl4 s VAL 29 Cb -0.10 -1.52 -0.05 0.00 0.56 0.00 0.00 36.38 35.27 3dl4 s VAL 29 CO 0.31 -0.52 0.37 -0.44 -0.31 0.00 0.00 175.10 174.51 3dl4 s SER 30 N -2.58 6.58 -0.08 4.85 0.01 0.73 -0.57 113.70 122.64 3dl4 s SER 30 Ca 0.09 0.68 0.02 0.00 1.31 0.00 0.00 55.95 58.05 3dl4 s SER 30 Cb -0.03 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 63.99 3dl4 s SER 30 CO 0.02 0.11 -0.13 0.00 0.41 0.00 0.00 173.24 173.64 3dl4 s ALA 31 N 0.26 1.37 -0.34 1.44 0.00 -0.03 -1.26 121.76 123.19 3dl4 s ALA 31 Ca 0.21 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 3dl4 s ALA 31 Cb -0.14 -0.63 0.06 0.00 0.00 0.00 0.00 23.12 22.40 3dl4 s ALA 31 CO 0.07 0.07 0.08 -0.06 0.00 0.00 0.00 175.76 175.93 3dl4 s PHE 32 N 0.75 3.31 -0.07 0.00 0.08 0.75 -0.48 117.98 122.31 3dl4 s PHE 32 Ca -0.13 -1.76 0.02 0.00 0.12 0.00 0.00 56.93 55.18 3dl4 s PHE 32 Cb -0.16 -2.38 -0.03 0.00 -0.57 0.00 0.00 43.02 39.89 3dl4 s PHE 32 CO 0.03 -0.80 -0.12 -0.51 -0.10 0.00 0.00 175.22 173.72 3dl4 s LEU 33 N 1.30 2.87 -0.59 -0.37 1.43 0.97 0.01 118.68 124.30 3dl4 s LEU 33 Ca -0.02 -0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 3dl4 s LEU 33 Cb -0.20 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3dl4 s LEU 33 CO 0.00 0.31 0.43 0.61 0.23 0.00 0.00 176.35 177.93 3dl4 n GLY 34 N 2.54 0.28 3.67 -3.19 0.00 -0.74 -3.75 105.19 104.00 3dl4 n GLY 34 Ca -0.18 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 3dl4 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dl4 s ILE 35 N -3.03 4.31 0.24 -0.61 1.01 0.41 -4.75 121.20 118.78 3dl4 s ILE 35 Ca 0.21 1.61 -0.30 0.00 0.00 0.00 0.00 60.65 62.17 3dl4 s ILE 35 Cb -0.09 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.25 3dl4 s ILE 35 CO 0.26 -0.09 1.08 -2.16 0.00 0.00 0.00 174.94 174.04 3dl4 s PRO 36 N 2.98 4.65 0.00 2.79 0.04 -1.26 -0.38 135.00 143.81 3dl4 s PRO 36 Ca 0.54 1.74 0.02 0.00 0.04 0.00 0.00 61.00 63.34 3dl4 s PRO 36 Cb -0.22 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.09 3dl4 s PRO 36 CO 0.17 0.19 0.42 1.97 0.04 0.00 0.00 177.00 179.79 3dl4 n PHE 37 N 1.66 0.00 -4.02 0.56 1.16 -1.10 -4.86 117.46 110.85 3dl4 n PHE 37 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.50 3dl4 n PHE 37 Cb 0.45 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.23 3dl4 n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3dl4 s ALA 38 N -0.49 0.32 0.37 1.98 0.00 -1.25 -2.63 121.76 120.07 3dl4 s ALA 38 Ca 0.02 -1.06 -0.26 0.00 0.00 0.00 0.00 51.96 50.66 3dl4 s ALA 38 Cb 0.02 0.47 -0.09 0.00 0.00 0.00 0.00 23.12 23.52 3dl4 s ALA 38 CO 0.04 -0.45 1.17 -1.21 0.00 0.00 0.00 175.76 175.32 3dl4 s GLU 39 N -3.93 4.18 0.05 0.00 0.41 0.11 -4.37 118.70 115.16 3dl4 s GLU 39 Ca 0.10 1.87 -0.33 0.00 -0.41 0.00 0.00 54.97 56.20 3dl4 s GLU 39 Cb 0.07 -2.79 -0.12 0.00 -1.78 0.00 0.00 34.13 29.50 3dl4 s GLU 39 CO -0.08 -0.22 1.77 -2.30 -0.49 0.00 0.00 175.26 173.95 3dl4 n PRO 40 N 0.32 2.33 -1.11 0.39 -0.02 -1.26 -4.68 135.00 130.97 3dl4 n PRO 40 Ca 0.03 0.85 -0.29 0.00 -2.02 0.00 0.00 63.50 62.07 3dl4 n PRO 40 Cb 0.46 -2.69 -0.06 0.00 -0.02 0.00 0.00 33.50 31.19 3dl4 n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3dl4 n PRO 41 N 5.35 2.96 -3.94 0.52 -0.04 -1.26 -4.88 135.00 133.71 3dl4 n PRO 41 Ca 0.20 -1.75 -0.26 0.00 -0.04 0.00 0.00 63.50 61.64 3dl4 n PRO 41 Cb 0.31 -2.53 -0.02 0.00 -0.04 0.00 0.00 33.50 31.22 3dl4 n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dl4 s VAL 42 N 2.16 1.80 0.00 0.52 -7.23 -1.26 -3.59 120.40 112.80 3dl4 s VAL 42 Ca 0.62 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 3dl4 s VAL 42 Cb 0.19 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.79 3dl4 s VAL 42 CO -0.04 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 3dl4 n GLY 43 N -1.65 3.20 0.00 2.32 0.00 -1.26 0.14 105.19 107.95 3dl4 n GLY 43 Ca -0.02 0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.39 3dl4 n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dl4 n SER 44 N 8.50 0.00 -0.27 1.61 3.41 -1.26 -3.10 113.62 122.50 3dl4 n SER 44 Ca 0.00 -0.19 0.12 0.00 -0.26 0.00 0.00 58.87 58.54 3dl4 n SER 44 Cb 0.00 -0.24 0.25 0.00 -0.26 0.00 0.00 64.21 63.95 3dl4 n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dl4 n ARG 45 N -1.24 0.81 -1.84 4.33 1.74 0.12 -4.86 116.66 115.72 3dl4 n ARG 45 Ca 0.13 -0.55 -0.42 0.00 -0.77 0.00 0.00 57.85 56.25 3dl4 n ARG 45 Cb 0.19 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 3dl4 n ARG 45 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3dl4 s ARG 46 N -2.57 4.17 0.00 5.56 3.52 -1.18 -1.31 118.95 127.13 3dl4 s ARG 46 Ca 0.21 2.49 0.00 0.00 -0.13 0.00 0.00 55.73 58.30 3dl4 s ARG 46 Cb 0.19 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 3dl4 s ARG 46 CO 0.57 -0.61 0.00 1.19 -0.81 0.00 0.00 175.30 175.64 3dl4 n PHE 47 N 2.84 0.00 -3.49 5.12 3.72 -1.26 -4.95 117.46 119.44 3dl4 n PHE 47 Ca 0.10 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.21 3dl4 n PHE 47 Cb 0.38 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 3dl4 n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3dl4 s MET 48 N -0.03 3.61 0.81 -1.08 -1.94 -0.43 -4.19 119.30 116.05 3dl4 s MET 48 Ca 0.00 -0.09 -0.15 0.00 -1.71 0.00 0.00 55.69 53.74 3dl4 s MET 48 Cb 0.00 -2.73 -0.02 0.00 2.01 0.00 0.00 34.83 34.09 3dl4 s MET 48 CO 0.00 0.31 0.41 -2.30 -0.01 0.00 0.00 175.02 173.42 3dl4 n PRO 49 N -0.67 0.09 -2.73 2.03 -0.02 -1.26 -4.92 135.00 127.51 3dl4 n PRO 49 Ca -0.03 0.07 -0.34 0.00 -2.02 0.00 0.00 63.50 61.19 3dl4 n PRO 49 Cb 0.53 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 3dl4 n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dl4 s PRO 50 N -2.97 4.12 -0.07 0.52 0.04 -1.26 -5.05 135.00 130.33 3dl4 s PRO 50 Ca 0.61 1.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.85 3dl4 s PRO 50 Cb -0.30 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 3dl4 s PRO 50 CO 0.63 -0.14 -0.01 -1.21 0.04 0.00 0.00 177.00 176.31 3dl4 s GLU 51 N -3.13 2.92 0.38 4.56 2.02 -1.26 -5.01 118.70 119.18 3dl4 s GLU 51 Ca 0.63 -0.46 -0.26 0.00 0.02 0.00 0.00 54.97 54.89 3dl4 s GLU 51 Cb -0.12 -2.75 -0.11 0.00 0.10 0.00 0.00 34.13 31.25 3dl4 s GLU 51 CO 0.16 0.68 1.25 -2.30 0.02 0.00 0.00 175.26 175.07 3dl4 n PRO 52 N 2.00 1.95 -1.75 0.39 -0.02 -1.26 0.08 135.00 136.39 3dl4 n PRO 52 Ca -0.18 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 3dl4 n PRO 52 Cb 0.53 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 3dl4 n PRO 52 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3dl4 s LYS 53 N -2.03 3.74 0.27 -0.52 2.47 -1.08 -4.10 119.74 118.49 3dl4 s LYS 53 Ca 0.59 2.21 -0.30 0.00 -1.56 0.00 0.00 55.97 56.91 3dl4 s LYS 53 Cb -0.54 -4.20 -0.13 0.00 -1.46 0.00 0.00 37.83 31.49 3dl4 s LYS 53 CO 0.60 -1.40 1.35 0.54 0.16 0.00 0.00 175.35 176.60 3dl4 n ARG 54 N 7.95 2.03 -1.27 4.03 3.00 -1.26 -4.91 116.66 126.23 3dl4 n ARG 54 Ca 0.23 0.72 -0.36 0.00 -0.01 0.00 0.00 57.85 58.43 3dl4 n ARG 54 Cb 0.43 -2.34 0.08 0.00 0.00 0.00 0.00 32.46 30.63 3dl4 n ARG 54 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3dl4 n PRO 55 N 1.53 0.34 -4.51 5.56 -0.02 -1.26 -5.02 135.00 131.62 3dl4 n PRO 55 Ca 0.09 0.16 -0.24 0.00 -2.02 0.00 0.00 63.50 61.49 3dl4 n PRO 55 Cb 0.33 -1.99 -0.10 0.00 -0.02 0.00 0.00 33.50 31.72 3dl4 n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3dl4 s TRP 56 N -1.91 2.24 0.19 6.00 -2.14 -0.16 -5.04 118.94 118.12 3dl4 s TRP 56 Ca 0.68 -0.59 0.05 0.00 2.66 0.00 0.00 56.10 58.90 3dl4 s TRP 56 Cb -0.34 -1.31 -0.04 0.00 -3.10 0.00 0.00 33.47 28.68 3dl4 s TRP 56 CO 0.55 0.45 0.18 -1.54 -2.66 0.00 0.00 176.95 173.94 3dl4 s SER 57 N -3.55 5.66 0.08 -2.66 1.04 -1.26 -4.68 113.70 108.33 3dl4 s SER 57 Ca 0.32 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.64 3dl4 s SER 57 Cb 0.04 -1.51 0.00 0.00 0.10 0.00 0.00 66.02 64.64 3dl4 s SER 57 CO 0.15 0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.02 3dl4 n GLY 58 N -0.61 -1.95 3.54 7.32 0.00 -1.26 -4.73 105.19 107.50 3dl4 n GLY 58 Ca -0.08 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 3dl4 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dl4 s VAL 59 N 0.00 5.23 0.07 1.61 1.01 -1.26 -3.80 120.40 123.25 3dl4 s VAL 59 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 3dl4 s VAL 59 Cb 0.00 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 3dl4 s VAL 59 CO 0.00 -0.03 1.12 -0.22 0.00 0.00 0.00 175.10 175.98 3dl4 s LEU 60 N 1.88 4.40 -0.32 3.92 0.20 0.26 -4.85 118.68 124.17 3dl4 s LEU 60 Ca 0.09 1.94 -0.29 0.00 0.69 0.00 0.00 54.13 56.57 3dl4 s LEU 60 Cb -0.17 -3.58 0.02 0.00 -0.43 0.00 0.00 46.19 42.03 3dl4 s LEU 60 CO 0.11 -0.36 1.06 -0.62 -0.29 0.00 0.00 176.35 176.25 3dl4 s ASP 61 N 0.79 6.92 -0.49 3.68 -1.08 -1.26 -1.10 116.67 124.13 3dl4 s ASP 61 Ca 0.55 1.04 0.05 0.00 -0.52 0.00 0.00 52.55 53.68 3dl4 s ASP 61 Cb -0.27 -2.54 0.39 0.00 -1.46 0.00 0.00 42.92 39.04 3dl4 s ASP 61 CO 0.30 -0.86 1.04 0.00 0.52 0.00 0.00 175.17 176.17 3dl4 n ALA 62 N 6.82 4.83 0.44 3.66 0.00 -0.19 -4.78 120.51 131.29 3dl4 n ALA 62 Ca 0.12 -4.43 0.05 0.00 0.00 0.00 0.00 53.44 49.18 3dl4 n ALA 62 Cb 0.47 -0.63 0.02 0.00 0.00 0.00 0.00 19.45 19.31 3dl4 n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dl4 n THR 63 N -0.37 0.00 -3.99 0.00 -2.24 -1.25 -0.02 114.28 106.42 3dl4 n THR 63 Ca 0.35 -0.44 -0.08 0.00 -2.27 0.00 0.00 64.05 61.60 3dl4 n THR 63 Cb 0.56 1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 69.86 3dl4 n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3dl4 s THR 64 N -1.14 0.17 0.59 4.28 -4.23 -1.26 -4.88 115.64 109.17 3dl4 s THR 64 Ca 0.10 -1.37 -0.20 0.00 -1.18 0.00 0.00 61.69 59.05 3dl4 s THR 64 Cb 0.08 -1.12 -0.03 0.00 1.34 0.00 0.00 72.50 72.77 3dl4 s THR 64 CO 0.20 -0.75 1.27 -0.36 -0.54 0.00 0.00 174.62 174.43 3dl4 s PHE 65 N -3.15 2.30 0.08 3.99 0.08 -1.26 -3.67 117.98 116.34 3dl4 s PHE 65 Ca -0.00 1.47 0.01 0.00 0.12 0.00 0.00 56.93 58.53 3dl4 s PHE 65 Cb 0.02 -3.62 0.01 0.00 -0.57 0.00 0.00 43.02 38.87 3dl4 s PHE 65 CO -0.07 -2.55 0.11 1.04 -0.10 0.00 0.00 175.22 173.65 3dl4 n GLN 66 N -1.48 0.83 -1.56 0.44 1.13 -1.26 -4.91 117.38 110.57 3dl4 n GLN 66 Ca 0.13 -0.37 -0.37 0.00 -1.94 0.00 0.00 57.00 54.45 3dl4 n GLN 66 Cb 0.48 -0.05 0.07 0.00 0.11 0.00 0.00 30.24 30.85 3dl4 n GLN 66 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3dl4 n ASN 67 N -2.94 1.05 -4.84 1.08 3.02 -1.26 -4.74 115.26 106.62 3dl4 n ASN 67 Ca 0.02 0.76 -0.38 0.00 -0.03 0.00 0.00 54.58 54.95 3dl4 n ASN 67 Cb 0.07 -1.45 -0.06 0.00 -0.61 0.00 0.00 39.78 37.74 3dl4 n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dl4 s VAL 68 N -1.58 5.07 0.49 2.41 1.01 -0.33 -4.74 120.40 122.72 3dl4 s VAL 68 Ca 0.77 0.77 -0.24 0.00 0.00 0.00 0.00 61.98 63.28 3dl4 s VAL 68 Cb -0.38 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 3dl4 s VAL 68 CO 0.46 0.57 1.41 0.00 0.00 0.00 0.00 175.10 177.54 3dl4 s TYR 70 N -1.23 2.87 0.17 0.00 5.04 -1.06 -4.70 117.35 118.45 3dl4 s TYR 70 Ca 0.65 0.34 -0.23 0.00 -2.44 0.00 0.00 57.07 55.39 3dl4 s TYR 70 Cb -0.43 -4.13 0.06 0.00 0.35 0.00 0.00 41.96 37.81 3dl4 s TYR 70 CO 0.54 -4.31 0.66 1.14 -1.34 0.00 0.00 175.55 172.24 3dl4 s GLN 71 N 1.26 1.34 0.16 4.97 -2.07 -1.26 -4.69 119.66 119.37 3dl4 s GLN 71 Ca 0.75 -0.56 -0.33 0.00 -1.82 0.00 0.00 55.36 53.40 3dl4 s GLN 71 Cb -0.49 0.57 -0.12 0.00 -1.09 0.00 0.00 33.01 31.87 3dl4 s GLN 71 CO 0.32 -0.59 1.70 0.98 -1.32 0.00 0.00 175.29 176.38 3dl4 n TYR 72 N -0.39 2.52 -3.64 9.60 4.19 -1.26 -5.02 117.16 123.17 3dl4 n TYR 72 Ca -0.13 0.09 -0.38 0.00 3.31 0.00 0.00 57.90 60.79 3dl4 n TYR 72 Cb 0.63 -2.63 -0.12 0.00 0.49 0.00 0.00 39.34 37.71 3dl4 n TYR 72 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 3dl4 s VAL 73 N 1.51 4.87 0.33 2.97 1.01 -1.26 -4.89 120.40 124.94 3dl4 s VAL 73 Ca 0.79 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 62.37 3dl4 s VAL 73 Cb -0.58 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 3dl4 s VAL 73 CO 0.36 0.20 1.26 -0.62 0.00 0.00 0.00 175.10 176.30 3dl4 s ASP 74 N 1.68 6.81 0.00 3.32 2.15 -1.26 -4.93 116.67 124.45 3dl4 s ASP 74 Ca 0.06 2.59 0.00 0.00 0.43 0.00 0.00 52.55 55.63 3dl4 s ASP 74 Cb -0.16 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.82 3dl4 s ASP 74 CO 0.08 -0.49 0.59 0.35 -0.17 0.00 0.00 175.17 175.52 3dl4 n THR 75 N 0.77 0.23 -0.36 1.71 -2.24 -1.26 -4.88 114.28 108.25 3dl4 n THR 75 Ca 0.00 -0.24 0.33 0.00 -2.27 0.00 0.00 64.05 61.87 3dl4 n THR 75 Cb 0.43 0.94 0.59 0.00 -2.10 0.00 0.00 70.33 70.19 3dl4 n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3dl4 h LEU 76 N 0.00 0.32 -6.37 3.22 5.85 -2.02 -3.28 115.31 113.04 3dl4 h LEU 76 Ca 0.00 0.22 -0.50 0.00 0.84 0.00 0.00 57.88 58.44 3dl4 h LEU 76 Cb 0.84 0.22 -0.35 0.00 0.37 0.00 0.00 40.66 41.73 3dl4 h LEU 76 CO 0.00 -0.34 -0.82 -0.31 -0.34 0.00 0.00 178.44 176.63 3dl4 s TYR 77 N -5.48 0.40 0.52 1.25 2.02 -1.26 -5.13 117.35 109.67 3dl4 s TYR 77 Ca -0.09 -1.54 -0.23 0.00 -0.37 0.00 0.00 57.07 54.85 3dl4 s TYR 77 Cb 0.32 -0.70 -0.06 0.00 -0.40 0.00 0.00 41.96 41.13 3dl4 s TYR 77 CO 0.79 -0.89 1.39 -2.30 -1.57 0.00 0.00 175.55 172.96 3dl4 n PRO 78 N 3.70 1.86 0.00 -1.71 -0.02 -1.24 -2.03 135.00 135.57 3dl4 n PRO 78 Ca 0.17 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3dl4 n PRO 78 Cb 0.43 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3dl4 n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dl4 n GLY 79 N 0.70 1.83 3.63 -1.23 0.00 -1.26 -4.94 105.19 103.93 3dl4 n GLY 79 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3dl4 n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dl4 s PHE 80 N -1.80 3.05 0.18 1.61 5.36 -0.86 -4.93 117.98 120.60 3dl4 s PHE 80 Ca 0.00 1.08 -0.15 0.00 -0.96 0.00 0.00 56.93 56.91 3dl4 s PHE 80 Cb 0.00 -3.85 0.15 0.00 -0.34 0.00 0.00 43.02 38.97 3dl4 s PHE 80 CO 0.00 -0.93 1.70 1.49 -1.46 0.00 0.00 175.22 176.02 3dl4 h GLU 81 N 8.39 0.13 -1.17 10.12 4.57 -1.92 -0.19 114.58 134.51 3dl4 h GLU 81 Ca -0.21 -0.01 0.33 0.00 -1.18 0.00 0.00 59.36 58.29 3dl4 h GLU 81 Cb 1.06 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.55 3dl4 h GLU 81 CO 1.05 0.08 0.80 0.78 -1.18 0.00 0.00 179.01 180.54 3dl4 h GLY 82 N 0.13 0.67 0.00 1.92 0.00 -1.91 0.45 103.07 104.33 3dl4 h GLY 82 Ca 0.22 -0.10 -0.40 0.00 0.00 0.00 0.00 47.33 47.05 3dl4 h GLY 82 CO -0.35 -0.11 -2.49 -1.30 0.00 0.00 0.00 176.54 172.30 3dl4 n THR 83 N -4.42 1.49 -0.32 4.70 -2.24 -0.97 -4.52 114.28 108.01 3dl4 n THR 83 Ca 0.27 -0.55 0.10 0.00 -2.27 0.00 0.00 64.05 61.60 3dl4 n THR 83 Cb 1.14 -1.46 0.27 0.00 -2.10 0.00 0.00 70.33 68.17 3dl4 n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3dl4 h GLU 84 N -0.09 0.65 -0.20 -0.78 4.39 -0.35 -2.02 114.58 116.17 3dl4 h GLU 84 Ca -0.59 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.13 3dl4 h GLU 84 Cb 1.87 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.37 3dl4 h GLU 84 CO -0.12 0.43 0.40 0.00 -1.16 0.00 0.00 179.01 178.55 3dl4 h MET 85 N 0.67 0.00 -0.02 2.33 -0.00 -1.17 0.95 114.93 117.69 3dl4 h MET 85 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.22 3dl4 h MET 85 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.37 3dl4 h MET 85 CO -0.38 0.00 -0.08 0.91 -0.00 0.00 0.00 176.91 177.36 3dl4 n TRP 86 N -3.30 0.00 -3.04 -0.10 7.02 -0.76 -4.83 117.44 112.44 3dl4 n TRP 86 Ca 0.03 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.18 3dl4 n TRP 86 Cb 0.51 -0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.33 3dl4 n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 3dl4 s ASN 87 N -2.09 6.84 0.29 -0.99 0.01 0.33 -4.70 114.94 114.63 3dl4 s ASN 87 Ca 0.28 1.42 -0.28 0.00 -0.71 0.00 0.00 52.86 53.56 3dl4 s ASN 87 Cb 0.20 -2.43 -0.14 0.00 0.41 0.00 0.00 41.25 39.29 3dl4 s ASN 87 CO 0.35 -0.24 1.06 -2.65 -1.51 0.00 0.00 177.10 174.11 3dl4 n PRO 88 N -0.38 1.44 -0.14 -0.60 -0.02 -1.26 -4.90 135.00 129.14 3dl4 n PRO 88 Ca 0.04 0.51 0.07 0.00 -2.02 0.00 0.00 63.50 62.10 3dl4 n PRO 88 Cb 0.53 -1.91 0.10 0.00 -0.02 0.00 0.00 33.50 32.19 3dl4 n PRO 88 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3dl4 n ASN 89 N 1.25 1.83 -4.04 2.55 6.94 -1.26 -5.00 115.26 117.52 3dl4 n ASN 89 Ca 0.09 -2.72 -0.10 0.00 -0.02 0.00 0.00 54.58 51.84 3dl4 n ASN 89 Cb 0.32 -0.33 -0.07 0.00 -2.36 0.00 0.00 39.78 37.34 3dl4 n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3dl4 s ARG 90 N -2.08 1.34 0.33 -3.83 1.81 -1.26 -5.09 118.95 110.18 3dl4 s ARG 90 Ca 0.22 -1.33 -0.29 0.00 -1.72 0.00 0.00 55.73 52.61 3dl4 s ARG 90 Cb 0.19 0.39 -0.12 0.00 -0.45 0.00 0.00 34.95 34.97 3dl4 s ARG 90 CO 0.02 -0.51 1.47 -1.91 -0.68 0.00 0.00 175.30 173.68 3dl4 n GLU 91 N -0.30 2.51 -2.51 3.54 2.13 -1.26 -4.43 120.64 120.32 3dl4 n GLU 91 Ca -0.02 0.88 -0.43 0.00 0.66 0.00 0.00 57.16 58.25 3dl4 n GLU 91 Cb 0.63 -2.59 -0.02 0.00 0.27 0.00 0.00 31.44 29.73 3dl4 n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3dl4 s LEU 92 N -1.21 4.19 0.06 4.31 1.43 -1.26 -1.19 118.68 125.02 3dl4 s LEU 92 Ca 0.58 1.63 -0.16 0.00 -1.03 0.00 0.00 54.13 55.14 3dl4 s LEU 92 Cb -0.52 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.19 3dl4 s LEU 92 CO 0.58 -0.68 0.37 -0.55 0.23 0.00 0.00 176.35 176.30 3dl4 s SER 93 N 1.62 -0.22 0.44 2.29 0.15 -0.39 -4.90 113.70 112.70 3dl4 s SER 93 Ca 0.52 -0.14 0.25 0.00 0.70 0.00 0.00 55.95 57.27 3dl4 s SER 93 Cb -0.20 0.41 0.50 0.00 -1.71 0.00 0.00 66.02 65.02 3dl4 s SER 93 CO 0.14 -0.69 1.67 -0.33 1.20 0.00 0.00 173.24 175.23 3dl4 h GLU 94 N 2.92 0.00 -5.19 5.44 5.08 -1.95 -2.81 114.58 118.07 3dl4 h GLU 94 Ca -0.32 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.35 3dl4 h GLU 94 Cb 1.21 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.31 3dl4 h GLU 94 CO 0.45 0.00 1.22 0.34 -1.00 0.00 0.00 179.01 180.02 3dl4 s ASP 95 N -6.06 6.76 0.00 1.42 2.15 -1.26 -4.28 116.67 115.41 3dl4 s ASP 95 Ca 0.06 -2.27 0.00 0.00 0.43 0.00 0.00 52.55 50.77 3dl4 s ASP 95 Cb 0.06 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 3dl4 s ASP 95 CO 0.65 -1.05 0.40 0.00 -0.17 0.00 0.00 175.17 175.00 3dl4 n LEU 97 N -0.04 5.84 -4.42 0.00 4.77 -1.26 -4.63 117.00 117.26 3dl4 n LEU 97 Ca 0.00 -4.08 -0.23 0.00 -0.03 0.00 0.00 56.01 51.67 3dl4 n LEU 97 Cb 0.39 -1.69 -0.11 0.00 -2.33 0.00 0.00 43.42 39.68 3dl4 n LEU 97 CO 0.00 0.64 -0.48 -0.31 -1.33 0.00 0.00 177.39 175.91 3dl4 s TYR 98 N 3.45 2.12 0.30 -1.77 2.02 -1.26 -2.72 117.35 119.48 3dl4 s TYR 98 Ca 0.50 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.82 3dl4 s TYR 98 Cb 0.08 -0.97 -0.05 0.00 -0.40 0.00 0.00 41.96 40.62 3dl4 s TYR 98 CO 0.00 0.55 0.09 -0.48 -1.57 0.00 0.00 175.55 174.15 3dl4 s LEU 99 N -3.17 1.83 -0.00 -1.29 0.05 0.49 -1.45 118.68 115.14 3dl4 s LEU 99 Ca 0.25 -1.42 0.03 0.00 0.05 0.00 0.00 54.13 53.03 3dl4 s LEU 99 Cb -0.05 -0.09 -0.01 0.00 -2.05 0.00 0.00 46.19 43.99 3dl4 s LEU 99 CO 0.11 -0.73 -0.10 0.20 -0.55 0.00 0.00 176.35 175.29 3dl4 s ASN 100 N -3.40 1.12 -0.07 1.48 0.01 0.13 -0.44 114.94 113.77 3dl4 s ASN 100 Ca 0.36 -0.20 0.03 0.00 -0.71 0.00 0.00 52.86 52.34 3dl4 s ASN 100 Cb 0.07 -0.12 0.01 0.00 0.41 0.00 0.00 41.25 41.63 3dl4 s ASN 100 CO 0.15 0.10 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.98 3dl4 s VAL 101 N -0.30 1.43 -0.07 1.60 1.01 0.10 -1.46 120.40 122.71 3dl4 s VAL 101 Ca 0.03 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.39 3dl4 s VAL 101 Cb -0.04 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 3dl4 s VAL 101 CO -0.00 0.42 -0.16 0.26 0.00 0.00 0.00 175.10 175.61 3dl4 s TRP 102 N 0.50 2.67 0.11 5.22 0.51 0.43 -0.18 118.94 128.19 3dl4 s TRP 102 Ca -0.14 -0.38 -0.02 0.00 -2.12 0.00 0.00 56.10 53.44 3dl4 s TRP 102 Cb -0.16 -1.67 -0.03 0.00 -0.81 0.00 0.00 33.47 30.80 3dl4 s TRP 102 CO 0.05 0.01 0.06 0.95 -0.51 0.00 0.00 176.95 177.51 3dl4 s THR 103 N -0.37 0.14 1.09 2.01 -4.23 -0.39 -0.57 115.64 113.32 3dl4 s THR 103 Ca 0.04 -1.79 -0.16 0.00 -1.18 0.00 0.00 61.69 58.59 3dl4 s THR 103 Cb -0.12 -1.82 0.12 0.00 1.34 0.00 0.00 72.50 72.02 3dl4 s THR 103 CO 0.02 -0.63 0.27 -2.65 -0.54 0.00 0.00 174.62 171.09 3dl4 n PRO 104 N -0.04 -1.44 -3.78 3.99 -0.02 -1.26 -0.20 135.00 132.26 3dl4 n PRO 104 Ca -0.09 -0.40 -0.24 0.00 -2.02 0.00 0.00 63.50 60.76 3dl4 n PRO 104 Cb 0.63 -1.82 -0.17 0.00 -0.02 0.00 0.00 33.50 32.11 3dl4 n PRO 104 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3dl4 s TYR 105 N -2.30 0.77 0.86 6.00 5.04 -1.25 -3.07 117.35 123.38 3dl4 s TYR 105 Ca 0.58 -0.29 -0.11 0.00 -2.44 0.00 0.00 57.07 54.81 3dl4 s TYR 105 Cb -0.16 -0.86 0.10 0.00 0.35 0.00 0.00 41.96 41.40 3dl4 s TYR 105 CO 0.66 -0.38 1.09 -2.14 -1.34 0.00 0.00 175.55 173.45 3dl4 s PRO 106 N 1.94 1.59 0.55 4.97 0.02 -1.26 -4.83 135.00 137.98 3dl4 s PRO 106 Ca 0.04 0.97 -0.20 0.00 0.02 0.00 0.00 61.00 61.83 3dl4 s PRO 106 Cb -0.13 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 3dl4 s PRO 106 CO -0.06 -2.05 0.83 0.54 -0.33 0.00 0.00 177.00 175.92 3dl4 n ARG 107 N -3.78 0.86 -2.25 5.54 1.74 -1.18 -4.89 116.66 112.70 3dl4 n ARG 107 Ca 0.08 0.33 -0.36 0.00 -0.77 0.00 0.00 57.85 57.12 3dl4 n ARG 107 Cb 0.54 -1.98 -0.00 0.00 -1.02 0.00 0.00 32.46 30.00 3dl4 n ARG 107 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3dl4 s PRO 108 N -2.37 3.58 0.03 5.56 0.04 -1.26 -4.96 135.00 135.63 3dl4 s PRO 108 Ca 0.71 1.71 -0.22 0.00 0.04 0.00 0.00 61.00 63.24 3dl4 s PRO 108 Cb -0.46 -2.24 -0.15 0.00 0.04 0.00 0.00 34.50 31.69 3dl4 s PRO 108 CO 0.52 -0.68 1.42 0.00 0.04 0.00 0.00 177.00 178.29 3dl4 h ALA 109 N 1.69 0.13 -2.78 8.56 0.00 -1.95 -3.44 119.26 121.47 3dl4 h ALA 109 Ca -0.50 -0.22 -0.61 0.00 0.00 0.00 0.00 54.91 53.59 3dl4 h ALA 109 Cb 1.25 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 3dl4 h ALA 109 CO 0.59 -0.14 -0.41 -1.54 0.00 0.00 0.00 179.25 177.75 3dl4 s SER 110 N -5.76 6.44 0.18 0.00 1.04 -1.26 -5.05 113.70 109.29 3dl4 s SER 110 Ca -0.15 0.47 -0.33 0.00 0.48 0.00 0.00 55.95 56.42 3dl4 s SER 110 Cb 0.04 -2.04 -0.15 0.00 0.10 0.00 0.00 66.02 63.97 3dl4 s SER 110 CO 0.71 0.17 1.32 -0.81 0.98 0.00 0.00 173.24 175.61 3dl4 n PRO 111 N 0.58 1.58 -5.11 4.02 -0.04 -1.26 -4.94 135.00 129.83 3dl4 n PRO 111 Ca -0.07 0.56 -0.32 0.00 -0.04 0.00 0.00 63.50 63.64 3dl4 n PRO 111 Cb 0.52 -2.17 -0.15 0.00 -0.04 0.00 0.00 33.50 31.67 3dl4 n PRO 111 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3dl4 s THR 112 N 0.06 2.53 0.16 0.52 2.01 -0.30 -4.74 115.64 115.87 3dl4 s THR 112 Ca 0.73 -0.93 -0.33 0.00 0.31 0.00 0.00 61.69 61.48 3dl4 s THR 112 Cb -0.77 -1.94 -0.17 0.00 0.01 0.00 0.00 72.50 69.63 3dl4 s THR 112 CO 0.49 0.59 0.98 -2.65 -0.69 0.00 0.00 174.62 173.34 3dl4 n PRO 113 N 2.38 0.70 -4.38 4.92 -0.02 -1.26 -0.25 135.00 137.08 3dl4 n PRO 113 Ca -0.17 0.25 -0.34 0.00 -2.02 0.00 0.00 63.50 61.22 3dl4 n PRO 113 Cb 0.52 -1.62 -0.11 0.00 -0.02 0.00 0.00 33.50 32.27 3dl4 n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dl4 s VAL 114 N -0.43 4.11 -0.19 -1.45 1.01 0.32 -2.76 120.40 121.02 3dl4 s VAL 114 Ca 0.73 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 3dl4 s VAL 114 Cb -0.93 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 3dl4 s VAL 114 CO 0.55 0.55 -0.11 -0.76 0.00 0.00 0.00 175.10 175.32 3dl4 s LEU 115 N -0.25 2.64 -0.22 3.92 1.43 0.17 -0.87 118.68 125.50 3dl4 s LEU 115 Ca 0.05 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3dl4 s LEU 115 Cb -0.13 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3dl4 s LEU 115 CO 0.02 0.03 -0.02 -0.63 0.23 0.00 0.00 176.35 175.99 3dl4 s ILE 116 N 1.15 3.61 -0.08 -0.59 1.01 0.25 -0.65 121.20 125.90 3dl4 s ILE 116 Ca 0.01 -0.41 -0.15 0.00 0.00 0.00 0.00 60.65 60.10 3dl4 s ILE 116 Cb -0.14 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 3dl4 s ILE 116 CO -0.03 0.41 0.38 0.86 0.00 0.00 0.00 174.94 176.55 3dl4 s TRP 117 N 1.43 3.59 -0.30 3.97 -0.11 0.92 -1.33 118.94 127.12 3dl4 s TRP 117 Ca 0.05 0.83 0.03 0.00 1.22 0.00 0.00 56.10 58.23 3dl4 s TRP 117 Cb -0.14 -2.35 0.08 0.00 -1.50 0.00 0.00 33.47 29.56 3dl4 s TRP 117 CO -0.01 0.42 -0.01 0.42 -4.62 0.00 0.00 176.95 173.15 3dl4 s ILE 118 N -0.23 2.05 0.76 5.86 1.01 -0.12 -3.96 121.20 126.57 3dl4 s ILE 118 Ca 0.22 -1.91 -0.13 0.00 0.00 0.00 0.00 60.65 58.83 3dl4 s ILE 118 Cb -0.15 -2.37 0.06 0.00 0.01 0.00 0.00 42.46 40.01 3dl4 s ILE 118 CO 0.09 -0.36 1.14 -0.72 0.00 0.00 0.00 174.94 175.10 3dl4 s TYR 119 N 1.08 2.22 0.00 3.97 -0.85 -1.26 -3.40 117.35 119.11 3dl4 s TYR 119 Ca 0.02 1.62 0.00 0.00 -0.52 0.00 0.00 57.07 58.19 3dl4 s TYR 119 Cb -0.19 -3.26 0.00 0.00 0.38 0.00 0.00 41.96 38.88 3dl4 s TYR 119 CO -0.08 -2.23 0.00 0.41 -1.52 0.00 0.00 175.55 172.13 3dl4 n GLY 120 N -0.27 1.38 0.00 5.49 0.00 -1.15 -3.08 105.19 107.56 3dl4 n GLY 120 Ca 0.11 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.10 3dl4 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dl4 n GLY 121 N 5.00 0.50 2.58 -0.02 0.00 -1.26 -4.17 105.19 107.82 3dl4 n GLY 121 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3dl4 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dl4 n GLY 122 N 0.00 0.72 2.26 -0.02 0.00 -1.26 -1.12 105.19 105.77 3dl4 n GLY 122 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3dl4 n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dl4 n PHE 123 N -2.42 0.00 -0.09 1.61 3.72 -1.26 -4.83 117.46 114.20 3dl4 n PHE 123 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3dl4 n PHE 123 Cb 0.40 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 3dl4 n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 3dl4 n TYR 124 N -2.75 0.00 -3.99 1.38 0.18 -0.61 0.86 117.16 112.24 3dl4 n TYR 124 Ca 0.00 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.66 3dl4 n TYR 124 Cb 0.10 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.04 3dl4 n TYR 124 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 3dl4 s SER 125 N -0.48 0.45 0.00 9.48 1.04 -0.27 -4.01 113.70 119.90 3dl4 s SER 125 Ca 0.00 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.16 3dl4 s SER 125 Cb 0.00 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.83 3dl4 s SER 125 CO 0.00 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.45 3dl4 n GLY 126 N -0.52 2.77 3.64 7.32 0.00 -1.26 -4.00 105.19 113.14 3dl4 n GLY 126 Ca -0.02 -2.03 -0.07 0.00 0.00 0.00 0.00 46.02 43.90 3dl4 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dl4 s ALA 127 N -2.04 -2.07 -1.25 4.61 0.00 -1.26 -4.68 121.76 115.07 3dl4 s ALA 127 Ca 0.00 1.78 0.30 0.00 0.00 0.00 0.00 51.96 54.04 3dl4 s ALA 127 Cb 0.00 -1.53 1.40 0.00 0.00 0.00 0.00 23.12 22.99 3dl4 s ALA 127 CO 0.00 -0.19 2.00 0.00 0.00 0.00 0.00 175.76 177.57 3dl4 n ALA 128 N 1.81 2.41 0.29 0.00 0.00 -1.26 -3.54 120.51 120.22 3dl4 n ALA 128 Ca -0.11 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.32 3dl4 n ALA 128 Cb 0.56 -1.48 0.21 0.00 0.00 0.00 0.00 19.45 18.74 3dl4 n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dl4 n SER 129 N -1.38 3.45 -4.76 0.00 3.41 -1.26 -4.82 113.62 108.27 3dl4 n SER 129 Ca 0.11 -1.99 -0.38 0.00 -0.26 0.00 0.00 58.87 56.36 3dl4 n SER 129 Cb 0.28 -0.25 0.02 0.00 -0.26 0.00 0.00 64.21 64.00 3dl4 n SER 129 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dl4 s LEU 130 N -1.46 3.92 0.31 1.04 1.43 -1.23 -4.92 118.68 117.77 3dl4 s LEU 130 Ca 0.38 2.56 0.07 0.00 -1.03 0.00 0.00 54.13 56.10 3dl4 s LEU 130 Cb 0.22 -4.26 0.75 0.00 0.03 0.00 0.00 46.19 42.93 3dl4 s LEU 130 CO 0.31 -1.27 1.80 0.44 0.23 0.00 0.00 176.35 177.85 3dl4 h ASP 131 N 1.72 0.77 0.00 2.29 3.32 -1.93 -0.51 116.42 122.08 3dl4 h ASP 131 Ca -0.50 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3dl4 h ASP 131 Cb 1.28 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3dl4 h ASP 131 CO 0.59 0.30 0.00 1.33 -1.72 0.00 0.00 179.24 179.74 3dl4 n VAL 132 N -4.71 0.00 -0.81 -1.35 0.24 -1.26 -1.45 118.33 108.99 3dl4 n VAL 132 Ca 0.22 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.60 3dl4 n VAL 132 Cb 0.55 -0.66 0.20 0.00 -1.47 0.00 0.00 33.84 32.46 3dl4 n VAL 132 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3dl4 n TYR 133 N -0.97 0.58 -1.68 6.34 4.01 -0.20 -4.48 117.16 120.76 3dl4 n TYR 133 Ca 0.14 -0.82 -0.43 0.00 -0.16 0.00 0.00 57.90 56.63 3dl4 n TYR 133 Cb 0.06 -0.21 -0.03 0.00 -0.31 0.00 0.00 39.34 38.85 3dl4 n TYR 133 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3dl4 s ASP 134 N -1.94 5.82 0.00 7.72 -1.08 -0.53 -4.85 116.67 121.82 3dl4 s ASP 134 Ca 0.34 2.07 0.22 0.00 -0.52 0.00 0.00 52.55 54.66 3dl4 s ASP 134 Cb 0.27 -2.52 0.96 0.00 -1.46 0.00 0.00 42.92 40.17 3dl4 s ASP 134 CO 0.08 -1.64 1.71 0.61 0.52 0.00 0.00 175.17 176.45 3dl4 n GLY 135 N 5.32 -1.24 0.34 2.66 0.00 -1.26 -4.13 105.19 106.88 3dl4 n GLY 135 Ca 0.26 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3dl4 n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3dl4 h ARG 136 N 0.00 0.24 0.01 1.61 0.11 -1.92 -1.78 114.38 112.65 3dl4 h ARG 136 Ca 0.00 -0.01 -0.15 0.00 0.10 0.00 0.00 59.98 59.91 3dl4 h ARG 136 Cb 0.36 -0.05 0.01 0.00 1.11 0.00 0.00 29.97 31.40 3dl4 h ARG 136 CO 0.00 0.16 -0.61 0.74 0.10 0.00 0.00 179.97 180.36 3dl4 h PHE 137 N 0.24 0.60 -0.33 4.08 0.04 -1.79 0.27 116.94 120.05 3dl4 h PHE 137 Ca 0.20 -0.33 -0.05 0.00 2.80 0.00 0.00 57.97 60.60 3dl4 h PHE 137 Cb 0.48 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 3dl4 h PHE 137 CO -0.00 1.16 0.01 -0.07 -0.60 0.00 0.00 178.31 178.81 3dl4 h LEU 138 N -0.13 0.48 -0.07 1.54 3.38 -1.68 0.25 115.31 119.07 3dl4 h LEU 138 Ca -0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3dl4 h LEU 138 Cb 1.33 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 3dl4 h LEU 138 CO 0.12 0.54 -0.03 0.00 0.09 0.00 0.00 178.44 179.16 3dl4 h ALA 139 N 1.53 0.10 -0.00 1.53 0.00 -1.28 -2.51 119.26 118.62 3dl4 h ALA 139 Ca 0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3dl4 h ALA 139 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3dl4 h ALA 139 CO 0.01 -0.16 -0.15 0.37 0.00 0.00 0.00 179.25 179.32 3dl4 h GLN 140 N -0.21 0.10 0.12 0.00 -0.00 -0.60 -2.07 115.11 112.46 3dl4 h GLN 140 Ca 0.02 -0.11 -0.28 0.00 -0.00 0.00 0.00 58.65 58.27 3dl4 h GLN 140 Cb 0.45 0.03 0.03 0.00 0.00 0.00 0.00 27.48 27.98 3dl4 h GLN 140 CO 0.01 0.86 -1.19 0.28 0.00 0.00 0.00 178.83 178.80 3dl4 h VAL 141 N -0.61 1.30 -0.02 2.39 2.07 -0.65 -3.34 116.25 117.39 3dl4 h VAL 141 Ca -0.02 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.06 3dl4 h VAL 141 Cb 0.92 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.42 3dl4 h VAL 141 CO 0.03 0.74 -0.13 -0.62 0.02 0.00 0.00 177.57 177.61 3dl4 n GLU 142 N -3.84 1.56 -1.64 1.57 -0.58 -1.01 -4.97 120.64 111.73 3dl4 n GLU 142 Ca -0.14 -1.33 -0.15 0.00 -0.42 0.00 0.00 57.16 55.12 3dl4 n GLU 142 Cb 0.96 -1.34 -0.05 0.00 -0.57 0.00 0.00 31.44 30.44 3dl4 n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dl4 n GLY 143 N 1.09 1.14 3.78 0.62 0.00 -0.78 -4.99 105.19 106.06 3dl4 n GLY 143 Ca 0.09 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 3dl4 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dl4 s ALA 144 N -2.61 2.70 -0.30 4.61 0.00 -0.98 -4.78 121.76 120.39 3dl4 s ALA 144 Ca 0.00 0.63 -0.14 0.00 0.00 0.00 0.00 51.96 52.44 3dl4 s ALA 144 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3dl4 s ALA 144 CO 0.00 -0.76 0.33 0.08 0.00 0.00 0.00 175.76 175.41 3dl4 s VAL 145 N -2.07 5.20 -0.08 0.00 1.01 -1.11 -4.22 120.40 119.13 3dl4 s VAL 145 Ca 0.68 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.93 3dl4 s VAL 145 Cb -0.20 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3dl4 s VAL 145 CO 0.30 0.06 -0.09 -0.22 0.00 0.00 0.00 175.10 175.15 3dl4 s LEU 146 N 1.99 3.00 -0.02 3.92 0.20 0.26 -0.65 118.68 127.37 3dl4 s LEU 146 Ca 0.12 -0.11 0.03 0.00 0.69 0.00 0.00 54.13 54.86 3dl4 s LEU 146 Cb -0.16 -1.65 0.00 0.00 -0.43 0.00 0.00 46.19 43.95 3dl4 s LEU 146 CO 0.11 0.32 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.71 3dl4 s VAL 147 N -0.58 0.82 0.00 1.68 1.01 0.18 -0.43 120.40 123.07 3dl4 s VAL 147 Ca 0.09 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3dl4 s VAL 147 Cb -0.12 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 3dl4 s VAL 147 CO 0.02 0.25 -0.04 -0.94 0.00 0.00 0.00 175.10 174.39 3dl4 s SER 148 N 0.14 0.50 0.17 3.32 1.04 -0.53 -0.05 113.70 118.29 3dl4 s SER 148 Ca -0.02 -0.12 0.11 0.00 0.48 0.00 0.00 55.95 56.40 3dl4 s SER 148 Cb -0.08 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 3dl4 s SER 148 CO 0.00 0.03 -0.23 0.00 0.98 0.00 0.00 173.24 174.02 3dl4 s MET 149 N -0.23 1.44 0.20 4.02 0.23 -1.25 0.20 119.30 123.90 3dl4 s MET 149 Ca 0.00 -1.46 -0.21 0.00 -1.03 0.00 0.00 55.69 52.99 3dl4 s MET 149 Cb -0.02 -1.74 -0.08 0.00 -1.53 0.00 0.00 34.83 31.46 3dl4 s MET 149 CO -0.00 0.38 0.73 -0.80 -2.03 0.00 0.00 175.02 173.30 3dl4 s ASN 150 N -2.53 7.14 0.03 -1.18 -0.87 -0.53 -4.53 114.94 112.48 3dl4 s ASN 150 Ca 0.18 1.47 -0.03 0.00 -1.57 0.00 0.00 52.86 52.91 3dl4 s ASN 150 Cb -0.08 -2.44 -0.02 0.00 -0.02 0.00 0.00 41.25 38.69 3dl4 s ASN 150 CO 0.08 0.10 0.03 -0.72 -2.57 0.00 0.00 177.10 174.02 3dl4 s TYR 151 N -1.40 0.28 0.27 2.20 1.13 -1.26 -4.57 117.35 114.00 3dl4 s TYR 151 Ca 0.40 -0.62 -0.29 0.00 -1.41 0.00 0.00 57.07 55.14 3dl4 s TYR 151 Cb -0.19 -0.21 -0.09 0.00 -1.10 0.00 0.00 41.96 40.37 3dl4 s TYR 151 CO 0.22 -0.31 1.20 1.03 -2.51 0.00 0.00 175.55 175.17 3dl4 s ARG 152 N -2.52 4.51 0.49 -3.49 0.52 -1.26 -4.86 118.95 112.34 3dl4 s ARG 152 Ca -0.06 1.96 0.03 0.00 -0.52 0.00 0.00 55.73 57.14 3dl4 s ARG 152 Cb -0.02 -3.17 -0.02 0.00 0.52 0.00 0.00 34.95 32.26 3dl4 s ARG 152 CO -0.04 -0.00 0.03 0.14 0.02 0.00 0.00 175.30 175.44 3dl4 s VAL 153 N -0.83 1.36 0.00 3.52 -7.23 -1.26 -4.15 120.40 111.82 3dl4 s VAL 153 Ca 0.48 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 3dl4 s VAL 153 Cb -0.35 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.26 3dl4 s VAL 153 CO 0.43 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.83 3dl4 n GLY 154 N -1.24 0.94 0.31 2.32 0.00 0.25 -2.12 105.19 105.66 3dl4 n GLY 154 Ca -0.15 -0.64 0.05 0.00 0.00 0.00 0.00 46.02 45.27 3dl4 n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dl4 h THR 155 N 0.00 0.85 -0.17 2.61 1.35 -1.88 0.14 112.91 115.80 3dl4 h THR 155 Ca 0.00 -0.26 -0.03 0.00 -0.55 0.00 0.00 66.41 65.57 3dl4 h THR 155 Cb 0.00 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.44 3dl4 h THR 155 CO 0.00 0.14 -0.03 -0.26 -0.25 0.00 0.00 175.52 175.12 3dl4 h PHE 156 N 0.75 0.25 0.00 4.73 0.04 -1.84 0.18 116.94 121.04 3dl4 h PHE 156 Ca 0.43 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.18 3dl4 h PHE 156 Cb 0.48 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.55 3dl4 h PHE 156 CO -0.07 0.29 -1.38 0.41 -0.60 0.00 0.00 178.31 176.96 3dl4 n GLY 157 N -1.12 -0.82 0.00 -1.45 0.00 -0.90 -4.10 105.19 96.80 3dl4 n GLY 157 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3dl4 n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dl4 n PHE 158 N -1.81 0.00 -1.69 1.61 3.72 0.01 -1.17 117.46 118.14 3dl4 n PHE 158 Ca -0.00 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.95 3dl4 n PHE 158 Cb 0.40 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.90 3dl4 n PHE 158 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3dl4 n LEU 159 N -0.20 3.43 -3.83 4.37 0.00 0.58 -4.55 117.00 116.80 3dl4 n LEU 159 Ca 0.00 1.07 -0.16 0.00 0.00 0.00 0.00 56.01 56.93 3dl4 n LEU 159 Cb 0.00 -1.48 -0.16 0.00 0.00 0.00 0.00 43.42 41.78 3dl4 n LEU 159 CO 0.00 -0.11 -0.37 0.00 0.00 0.00 0.00 177.39 176.91 3dl4 s ALA 160 N 1.04 0.22 -0.77 1.96 0.00 -1.26 -4.13 121.76 118.82 3dl4 s ALA 160 Ca 0.78 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 3dl4 s ALA 160 Cb -0.62 -0.23 0.20 0.00 0.00 0.00 0.00 23.12 22.48 3dl4 s ALA 160 CO 0.36 -0.05 0.69 -0.51 0.00 0.00 0.00 175.76 176.25 3dl4 s LEU 161 N 0.74 6.45 0.22 0.00 1.43 0.19 -4.01 118.68 123.71 3dl4 s LEU 161 Ca -0.07 -2.65 -0.32 0.00 -1.03 0.00 0.00 54.13 50.06 3dl4 s LEU 161 Cb -0.10 -2.15 -0.14 0.00 0.03 0.00 0.00 46.19 43.83 3dl4 s LEU 161 CO -0.02 -0.56 1.36 -2.65 0.23 0.00 0.00 176.35 174.72 3dl4 n PRO 162 N 3.99 1.86 0.00 1.29 -0.02 -1.26 -1.38 135.00 139.48 3dl4 n PRO 162 Ca 0.11 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3dl4 n PRO 162 Cb 0.45 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3dl4 n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dl4 n GLY 163 N 2.16 3.01 3.70 -1.23 0.00 -1.26 -5.06 105.19 106.52 3dl4 n GLY 163 Ca 0.12 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3dl4 n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dl4 s SER 164 N 0.85 3.24 -0.04 1.61 1.04 -0.48 -4.97 113.70 114.95 3dl4 s SER 164 Ca 0.00 1.48 0.11 0.00 0.48 0.00 0.00 55.95 58.02 3dl4 s SER 164 Cb 0.00 -2.16 -0.23 0.00 0.10 0.00 0.00 66.02 63.73 3dl4 s SER 164 CO 0.00 -2.78 0.68 0.03 0.98 0.00 0.00 173.24 172.14 3dl4 h ARG 165 N -1.65 0.02 0.00 4.02 3.08 -1.97 -3.38 114.38 114.51 3dl4 h ARG 165 Ca -0.50 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.51 3dl4 h ARG 165 Cb 1.29 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3dl4 h ARG 165 CO 0.54 0.57 -1.00 0.39 -1.07 0.00 0.00 179.97 179.41 3dl4 n GLU 166 N -3.10 0.42 -3.09 0.04 4.71 -1.26 -4.48 120.64 113.88 3dl4 n GLU 166 Ca -0.17 0.04 -0.19 0.00 -0.01 0.00 0.00 57.16 56.84 3dl4 n GLU 166 Cb 1.05 -1.69 -0.04 0.00 -1.01 0.00 0.00 31.44 29.75 3dl4 n GLU 166 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3dl4 n ALA 167 N -1.97 1.11 0.58 0.62 0.00 -1.26 -4.18 120.51 115.39 3dl4 n ALA 167 Ca 0.01 -2.54 0.12 0.00 0.00 0.00 0.00 53.44 51.02 3dl4 n ALA 167 Cb 0.48 -1.01 0.45 0.00 0.00 0.00 0.00 19.45 19.38 3dl4 n ALA 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dl4 n PRO 168 N 2.10 0.15 0.00 0.00 -0.04 -1.26 -0.63 135.00 135.32 3dl4 n PRO 168 Ca 0.21 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 3dl4 n PRO 168 Cb 0.54 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 3dl4 n PRO 168 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dl4 n GLY 169 N 0.62 -1.27 2.62 0.55 0.00 -1.26 -4.67 105.19 101.79 3dl4 n GLY 169 Ca 0.04 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 3dl4 n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dl4 n ASN 170 N -1.84 -5.00 0.25 1.61 3.02 -1.26 -4.85 115.26 107.19 3dl4 n ASN 170 Ca 0.00 0.24 0.12 0.00 -0.03 0.00 0.00 54.58 54.90 3dl4 n ASN 170 Cb 0.00 -3.74 0.62 0.00 -0.61 0.00 0.00 39.78 36.05 3dl4 n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3dl4 h VAL 171 N 0.00 0.55 -0.45 2.41 -1.51 -1.80 0.25 116.25 115.71 3dl4 h VAL 171 Ca -0.20 -0.78 -0.07 0.00 -1.23 0.00 0.00 66.70 64.42 3dl4 h VAL 171 Cb 1.04 1.52 -0.02 0.00 -2.13 0.00 0.00 31.29 31.70 3dl4 h VAL 171 CO 0.29 0.16 -0.02 1.23 -1.23 0.00 0.00 177.57 178.00 3dl4 h GLY 172 N 1.36 0.81 1.50 5.19 0.00 -1.35 0.54 103.07 111.11 3dl4 h GLY 172 Ca -0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.71 3dl4 h GLY 172 CO 0.02 0.50 -0.10 1.41 0.00 0.00 0.00 176.54 178.38 3dl4 h LEU 173 N 0.70 0.59 -0.39 3.11 3.38 -1.24 -2.66 115.31 118.80 3dl4 h LEU 173 Ca 0.14 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3dl4 h LEU 173 Cb 0.45 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3dl4 h LEU 173 CO 0.02 0.73 -0.22 -0.07 0.09 0.00 0.00 178.44 178.99 3dl4 h LEU 174 N 0.56 0.87 -0.69 1.67 3.38 -0.72 -0.43 115.31 119.95 3dl4 h LEU 174 Ca 0.10 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.76 3dl4 h LEU 174 Cb 0.50 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 3dl4 h LEU 174 CO 0.03 1.09 0.31 0.44 0.09 0.00 0.00 178.44 180.40 3dl4 h ASP 175 N 0.64 0.36 -0.30 -0.43 3.32 -0.74 0.31 116.42 119.59 3dl4 h ASP 175 Ca 0.08 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.22 3dl4 h ASP 175 Cb 0.78 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 3dl4 h ASP 175 CO 0.06 0.20 0.17 1.56 -1.72 0.00 0.00 179.24 179.52 3dl4 h GLN 176 N 0.52 0.35 -0.61 3.56 4.20 -1.12 -1.60 115.11 120.41 3dl4 h GLN 176 Ca 0.35 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.98 3dl4 h GLN 176 Cb 0.41 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 3dl4 h GLN 176 CO -0.30 0.23 0.15 -0.09 -0.67 0.00 0.00 178.83 178.15 3dl4 h ARG 177 N 0.36 0.94 -0.63 1.46 2.43 -0.40 -0.78 114.38 117.76 3dl4 h ARG 177 Ca 0.12 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3dl4 h ARG 177 Cb -0.00 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3dl4 h ARG 177 CO -0.05 0.84 0.28 1.25 -1.51 0.00 0.00 179.97 180.77 3dl4 h LEU 178 N 0.91 0.85 -1.33 3.80 5.85 -0.02 -0.84 115.31 124.52 3dl4 h LEU 178 Ca 0.20 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3dl4 h LEU 178 Cb 0.32 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3dl4 h LEU 178 CO -0.00 0.77 -0.13 0.00 -0.34 0.00 0.00 178.44 178.74 3dl4 h ALA 179 N 1.12 1.45 -0.64 1.25 0.00 -0.91 -0.02 119.26 121.50 3dl4 h ALA 179 Ca 0.21 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3dl4 h ALA 179 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3dl4 h ALA 179 CO -0.02 0.39 0.05 -0.07 0.00 0.00 0.00 179.25 179.59 3dl4 h LEU 180 N 0.27 1.06 -0.26 0.00 3.38 -0.35 -1.58 115.31 117.83 3dl4 h LEU 180 Ca 0.05 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3dl4 h LEU 180 Cb 0.41 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3dl4 h LEU 180 CO 0.02 1.08 0.13 1.56 0.09 0.00 0.00 178.44 181.32 3dl4 h GLN 181 N 1.00 0.37 -0.93 1.13 4.20 -0.72 -1.55 115.11 118.61 3dl4 h GLN 181 Ca 0.19 -0.05 0.21 0.00 0.06 0.00 0.00 58.65 59.05 3dl4 h GLN 181 Cb 0.51 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 3dl4 h GLN 181 CO 0.02 0.37 0.61 2.35 -0.67 0.00 0.00 178.83 181.51 3dl4 h TRP 182 N 0.29 0.59 -0.08 2.96 7.01 -0.86 -1.79 115.95 124.07 3dl4 h TRP 182 Ca 0.09 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.00 3dl4 h TRP 182 Cb 0.12 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.00 3dl4 h TRP 182 CO -0.02 0.14 -0.37 0.28 -2.79 0.00 0.00 178.44 175.67 3dl4 h VAL 183 N 0.43 1.41 -0.54 2.65 2.07 -0.35 -1.16 116.25 120.76 3dl4 h VAL 183 Ca 0.49 -1.75 0.11 0.00 0.82 0.00 0.00 66.70 66.37 3dl4 h VAL 183 Cb 1.20 2.28 -0.11 0.00 -1.52 0.00 0.00 31.29 33.14 3dl4 h VAL 183 CO -0.20 0.51 -0.22 1.56 0.02 0.00 0.00 177.57 179.24 3dl4 h GLN 184 N -0.07 -0.09 0.01 1.57 1.08 -0.72 0.13 115.11 117.02 3dl4 h GLN 184 Ca -0.02 0.01 -0.20 0.00 -1.45 0.00 0.00 58.65 56.98 3dl4 h GLN 184 Cb 1.02 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.45 3dl4 h GLN 184 CO 0.08 -0.06 -0.93 1.49 -0.95 0.00 0.00 178.83 178.46 3dl4 h GLU 185 N -0.09 0.04 0.00 1.46 4.81 -1.27 -3.40 114.58 116.13 3dl4 h GLU 185 Ca 0.25 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3dl4 h GLU 185 Cb 0.48 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3dl4 h GLU 185 CO -0.60 0.94 -0.83 0.09 -0.73 0.00 0.00 179.01 177.87 3dl4 n ASN 186 N -3.49 3.05 0.26 1.04 3.02 -0.45 -4.72 115.26 113.99 3dl4 n ASN 186 Ca -0.01 -0.17 0.10 0.00 -0.03 0.00 0.00 54.58 54.47 3dl4 n ASN 186 Cb 0.87 1.09 0.70 0.00 -0.61 0.00 0.00 39.78 41.83 3dl4 n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3dl4 h ILE 187 N 0.00 0.85 -0.38 2.41 6.09 -0.90 -1.42 117.51 124.16 3dl4 h ILE 187 Ca 0.00 -0.19 -0.01 0.00 -1.37 0.00 0.00 64.86 63.29 3dl4 h ILE 187 Cb 0.11 1.11 -0.02 0.00 0.47 0.00 0.00 36.82 38.49 3dl4 h ILE 187 CO 0.00 0.05 0.18 0.00 -3.07 0.00 0.00 178.15 175.31 3dl4 h ALA 188 N 1.95 1.61 -0.73 0.18 0.00 -1.80 0.41 119.26 120.88 3dl4 h ALA 188 Ca -0.00 -0.08 0.21 0.00 0.00 0.00 0.00 54.91 55.04 3dl4 h ALA 188 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3dl4 h ALA 188 CO 0.01 0.32 0.70 0.00 0.00 0.00 0.00 179.25 180.28 3dl4 h ALA 189 N 1.67 2.54 -0.10 0.00 0.00 -1.57 0.16 119.26 121.96 3dl4 h ALA 189 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dl4 h ALA 189 Cb 0.06 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dl4 h ALA 189 CO -0.02 -1.07 0.00 1.19 0.00 0.00 0.00 179.25 179.35 3dl4 n PHE 190 N -3.74 0.10 -0.59 0.00 3.01 0.13 -4.90 117.46 111.47 3dl4 n PHE 190 Ca 0.15 -0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.56 3dl4 n PHE 190 Cb 0.96 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.42 3dl4 n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dl4 n GLY 191 N 1.30 0.73 3.81 1.37 0.00 0.56 -4.60 105.19 108.35 3dl4 n GLY 191 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3dl4 n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dl4 s GLY 192 N -1.89 2.41 -0.48 -0.02 0.00 -0.55 -1.15 107.32 105.64 3dl4 s GLY 192 Ca 0.00 0.51 -0.15 0.00 0.00 0.00 0.00 44.72 45.08 3dl4 s GLY 192 CO 0.00 0.82 0.40 -0.35 0.00 0.00 0.00 173.10 173.97 3dl4 s ASP 193 N -2.18 6.08 0.10 1.64 -1.08 0.65 -3.49 116.67 118.40 3dl4 s ASP 193 Ca 0.65 -1.48 0.08 0.00 -0.52 0.00 0.00 52.55 51.28 3dl4 s ASP 193 Cb -0.14 -2.16 0.43 0.00 -1.46 0.00 0.00 42.92 39.59 3dl4 s ASP 193 CO 0.21 -0.69 1.26 -0.81 0.52 0.00 0.00 175.17 175.66 3dl4 n PRO 194 N 5.17 0.05 -0.17 4.34 -0.04 -1.26 -0.82 135.00 142.28 3dl4 n PRO 194 Ca -0.12 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 63.97 3dl4 n PRO 194 Cb 0.43 -1.65 0.23 0.00 -0.04 0.00 0.00 33.50 32.46 3dl4 n PRO 194 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3dl4 n MET 195 N -1.75 2.43 -3.31 0.54 2.81 -1.26 -4.33 117.12 112.24 3dl4 n MET 195 Ca -0.00 -2.15 -0.25 0.00 -1.81 0.00 0.00 57.70 53.49 3dl4 n MET 195 Cb 0.03 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 30.96 3dl4 n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3dl4 n SER 196 N 1.37 -0.41 -4.27 7.83 2.88 0.00 -4.92 113.62 116.11 3dl4 n SER 196 Ca 0.19 -2.49 -0.35 0.00 -1.33 0.00 0.00 58.87 54.90 3dl4 n SER 196 Cb 0.58 -0.49 -0.14 0.00 -0.75 0.00 0.00 64.21 63.41 3dl4 n SER 196 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3dl4 s VAL 197 N -0.27 3.10 -0.19 2.46 1.01 -1.26 -0.52 120.40 124.74 3dl4 s VAL 197 Ca 0.33 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 3dl4 s VAL 197 Cb 0.08 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 3dl4 s VAL 197 CO -0.17 0.45 -0.09 -0.89 0.00 0.00 0.00 175.10 174.40 3dl4 s THR 198 N 1.42 3.11 -0.05 3.92 2.01 -0.05 -0.60 115.64 125.40 3dl4 s THR 198 Ca 0.05 -0.60 -0.27 0.00 0.31 0.00 0.00 61.69 61.19 3dl4 s THR 198 Cb -0.14 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 3dl4 s THR 198 CO -0.05 0.47 0.86 -0.76 -0.69 0.00 0.00 174.62 174.45 3dl4 s LEU 199 N 1.12 4.32 0.02 4.42 1.43 -0.76 -0.58 118.68 128.65 3dl4 s LEU 199 Ca 0.01 1.42 0.04 0.00 -1.03 0.00 0.00 54.13 54.57 3dl4 s LEU 199 Cb -0.14 -3.35 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 3dl4 s LEU 199 CO -0.02 -0.24 -0.12 0.72 0.23 0.00 0.00 176.35 176.92 3dl4 s PHE 200 N 1.15 1.06 0.25 0.29 -0.71 -0.44 0.79 117.98 120.37 3dl4 s PHE 200 Ca 0.45 -0.31 -0.21 0.00 -1.04 0.00 0.00 56.93 55.83 3dl4 s PHE 200 Cb -0.19 -0.64 0.03 0.00 -1.21 0.00 0.00 43.02 41.00 3dl4 s PHE 200 CO 0.22 0.01 0.67 0.20 -1.34 0.00 0.00 175.22 174.98 3dl4 s GLY 201 N -0.88 -0.13 -0.15 1.99 0.00 -0.96 -0.95 107.32 106.24 3dl4 s GLY 201 Ca 0.01 -0.21 0.17 0.00 0.00 0.00 0.00 44.72 44.69 3dl4 s GLY 201 CO 0.01 -0.10 1.18 -2.21 0.00 0.00 0.00 173.10 171.98 3dl4 n GLU 202 N -0.43 1.34 0.00 2.90 0.00 -1.22 -1.13 120.64 122.10 3dl4 n GLU 202 Ca -0.06 -3.00 0.00 0.00 0.00 0.00 0.00 57.16 54.10 3dl4 n GLU 202 Cb 0.60 -1.15 0.00 0.00 0.00 0.00 0.00 31.44 30.90 3dl4 n GLU 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dl4 n ALA 204 N -0.43 0.00 -0.18 4.31 0.00 -1.26 -2.94 120.51 120.00 3dl4 n ALA 204 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 3dl4 n ALA 204 Cb 0.90 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.36 3dl4 n ALA 204 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3dl4 h GLY 205 N 0.00 1.00 0.90 0.00 0.00 -1.68 0.14 103.07 103.42 3dl4 h GLY 205 Ca 0.00 -0.74 -0.07 0.00 0.00 0.00 0.00 47.33 46.51 3dl4 h GLY 205 CO 0.00 0.68 -0.10 0.00 0.00 0.00 0.00 176.54 177.13 3dl4 h ALA 206 N 0.94 0.41 -0.64 3.60 0.00 -1.62 0.37 119.26 122.32 3dl4 h ALA 206 Ca 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3dl4 h ALA 206 Cb 0.54 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3dl4 h ALA 206 CO 0.03 0.26 0.40 0.00 0.00 0.00 0.00 179.25 179.94 3dl4 h ALA 207 N 0.77 0.82 -0.31 0.00 0.00 -1.73 -1.79 119.26 117.03 3dl4 h ALA 207 Ca 0.07 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3dl4 h ALA 207 Cb 0.60 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 3dl4 h ALA 207 CO 0.03 0.28 -0.36 0.77 0.00 0.00 0.00 179.25 179.98 3dl4 h SER 208 N 0.87 -1.18 -0.72 0.00 0.02 -0.33 0.47 113.55 112.69 3dl4 h SER 208 Ca 0.23 0.19 0.15 0.00 -0.84 0.00 0.00 61.79 61.52 3dl4 h SER 208 Cb -0.05 0.52 -0.10 0.00 0.14 0.00 0.00 62.40 62.91 3dl4 h SER 208 CO -0.05 -0.36 0.21 0.58 -1.14 0.00 0.00 176.83 176.08 3dl4 h VAL 209 N -0.33 0.58 -0.54 2.27 2.07 -0.28 0.96 116.25 120.98 3dl4 h VAL 209 Ca 0.13 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 3dl4 h VAL 209 Cb 0.56 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3dl4 h VAL 209 CO -0.49 0.06 0.18 1.23 0.02 0.00 0.00 177.57 178.57 3dl4 h GLY 210 N 0.32 0.85 1.04 2.17 0.00 -0.76 -1.11 103.07 105.57 3dl4 h GLY 210 Ca 0.40 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3dl4 h GLY 210 CO -0.46 0.42 0.47 -0.33 0.00 0.00 0.00 176.54 176.64 3dl4 h MET 211 N 0.78 1.25 -0.23 4.80 2.86 0.14 -2.00 114.93 122.53 3dl4 h MET 211 Ca 0.18 -0.16 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 3dl4 h MET 211 Cb 0.21 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3dl4 h MET 211 CO -0.01 0.93 -0.39 0.45 1.06 0.00 0.00 176.91 178.95 3dl4 h HIS 212 N 1.25 0.60 -0.80 -0.22 3.86 -0.24 -1.76 115.15 117.84 3dl4 h HIS 212 Ca 0.31 -0.17 0.06 0.00 -1.16 0.00 0.00 60.37 59.41 3dl4 h HIS 212 Cb 0.06 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.35 3dl4 h HIS 212 CO 0.01 0.82 0.53 0.82 0.86 0.00 0.00 177.93 180.97 3dl4 h ILE 213 N 0.43 1.06 -0.02 2.45 2.04 -0.85 -2.85 117.51 119.77 3dl4 h ILE 213 Ca 0.04 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3dl4 h ILE 213 Cb 0.86 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3dl4 h ILE 213 CO 0.07 0.16 -0.01 0.18 0.00 0.00 0.00 178.15 178.56 3dl4 n LEU 214 N -4.48 1.71 -3.96 1.44 4.77 -0.72 -4.76 117.00 111.00 3dl4 n LEU 214 Ca 0.12 -0.57 -0.31 0.00 -0.03 0.00 0.00 56.01 55.22 3dl4 n LEU 214 Cb 0.19 -0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.13 3dl4 n LEU 214 CO 0.34 0.29 -0.41 -0.55 -1.33 0.00 0.00 177.39 175.72 3dl4 s SER 215 N -2.02 4.13 0.24 -1.43 0.15 -0.86 -4.79 113.70 109.12 3dl4 s SER 215 Ca 0.36 -1.41 -0.12 0.00 0.70 0.00 0.00 55.95 55.48 3dl4 s SER 215 Cb 0.21 -1.30 0.32 0.00 -1.71 0.00 0.00 66.02 63.54 3dl4 s SER 215 CO 0.34 -0.26 1.60 0.25 1.20 0.00 0.00 173.24 176.36 3dl4 h LEU 216 N 7.87 -0.76 -0.50 3.45 7.12 -1.85 0.73 115.31 131.37 3dl4 h LEU 216 Ca -0.16 0.24 0.00 0.00 0.13 0.00 0.00 57.88 58.09 3dl4 h LEU 216 Cb 1.05 0.50 0.00 0.00 -0.53 0.00 0.00 40.66 41.68 3dl4 h LEU 216 CO 0.44 -0.26 0.00 -2.65 -0.13 0.00 0.00 178.44 175.84 3dl4 n PRO 217 N -5.51 0.08 0.09 5.25 -0.02 -1.26 -1.48 135.00 132.15 3dl4 n PRO 217 Ca 0.11 0.45 0.12 0.00 -2.02 0.00 0.00 63.50 62.15 3dl4 n PRO 217 Cb 0.40 -1.70 0.01 0.00 -0.02 0.00 0.00 33.50 32.19 3dl4 n PRO 217 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3dl4 n SER 218 N -1.85 0.80 -0.13 2.55 7.64 0.24 -4.38 113.62 118.49 3dl4 n SER 218 Ca 0.01 0.28 -0.07 0.00 1.01 0.00 0.00 58.87 60.10 3dl4 n SER 218 Cb 0.11 0.49 0.02 0.00 -1.01 0.00 0.00 64.21 63.81 3dl4 n SER 218 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3dl4 h ARG 219 N 0.00 0.46 0.00 1.43 2.47 -1.22 -1.34 114.38 116.18 3dl4 h ARG 219 Ca 0.00 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3dl4 h ARG 219 Cb 0.97 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 3dl4 h ARG 219 CO 0.00 0.31 0.00 -1.13 0.56 0.00 0.00 179.97 179.71 3dl4 n SER 220 N -4.87 0.00 -0.78 7.04 3.41 -1.26 -3.34 113.62 113.82 3dl4 n SER 220 Ca 0.02 -0.22 0.10 0.00 -0.26 0.00 0.00 58.87 58.51 3dl4 n SER 220 Cb 0.07 -0.05 0.09 0.00 -0.26 0.00 0.00 64.21 64.06 3dl4 n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dl4 n LEU 221 N -1.05 2.64 -3.82 1.04 4.77 -0.51 -4.98 117.00 115.10 3dl4 n LEU 221 Ca 0.07 -1.05 -0.07 0.00 -0.03 0.00 0.00 56.01 54.93 3dl4 n LEU 221 Cb 0.04 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3dl4 n LEU 221 CO 0.06 0.47 0.47 0.72 -1.33 0.00 0.00 177.39 177.78 3dl4 s PHE 222 N -1.57 -0.22 0.00 -1.77 -0.71 -1.21 -4.87 117.98 107.63 3dl4 s PHE 222 Ca 0.23 -0.21 0.00 0.00 -1.04 0.00 0.00 56.93 55.91 3dl4 s PHE 222 Cb 0.16 0.69 0.00 0.00 -1.21 0.00 0.00 43.02 42.67 3dl4 s PHE 222 CO 0.24 -1.19 0.00 0.72 -1.34 0.00 0.00 175.22 173.65 3dl4 n HIS 223 N -0.45 0.00 -4.02 3.49 8.25 0.23 -4.94 115.22 117.78 3dl4 n HIS 223 Ca -0.05 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.33 3dl4 n HIS 223 Cb 0.60 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.61 3dl4 n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3dl4 s ARG 224 N -1.81 0.57 -0.01 -0.41 0.52 -1.16 -4.36 118.95 112.28 3dl4 s ARG 224 Ca 0.00 -0.99 -0.01 0.00 -0.52 0.00 0.00 55.73 54.21 3dl4 s ARG 224 Cb 0.00 0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.68 3dl4 s ARG 224 CO 0.00 -0.12 0.03 0.00 0.02 0.00 0.00 175.30 175.23 3dl4 s ALA 225 N -3.20 -0.07 -0.15 2.13 0.00 -0.86 -1.83 121.76 117.79 3dl4 s ALA 225 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.04 3dl4 s ALA 225 Cb 0.03 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.11 3dl4 s ALA 225 CO -0.07 -0.02 -0.19 0.08 0.00 0.00 0.00 175.76 175.56 3dl4 s VAL 226 N -0.02 2.30 -0.28 0.00 1.01 0.24 -0.62 120.40 123.02 3dl4 s VAL 226 Ca -0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 3dl4 s VAL 226 Cb -0.00 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.48 3dl4 s VAL 226 CO 0.00 0.54 -0.04 -0.76 0.00 0.00 0.00 175.10 174.84 3dl4 s LEU 227 N 0.82 3.68 -0.32 3.92 1.02 0.04 -2.25 118.68 125.59 3dl4 s LEU 227 Ca -0.06 -1.27 -0.13 0.00 0.02 0.00 0.00 54.13 52.69 3dl4 s LEU 227 Cb -0.15 -1.66 -0.02 0.00 0.02 0.00 0.00 46.19 44.37 3dl4 s LEU 227 CO -0.01 -0.23 0.28 -1.10 0.02 0.00 0.00 176.35 175.31 3dl4 s GLN 228 N 1.21 3.67 -1.45 1.70 -0.21 -0.28 -2.39 119.66 121.92 3dl4 s GLN 228 Ca -0.06 -0.43 -0.03 0.00 0.02 0.00 0.00 55.36 54.86 3dl4 s GLN 228 Cb -0.19 -3.76 0.02 0.00 1.00 0.00 0.00 33.01 30.08 3dl4 s GLN 228 CO -0.03 -0.40 0.49 0.43 -2.12 0.00 0.00 175.29 173.67 3dl4 n SER 229 N 5.21 -0.89 -3.60 5.90 7.64 0.73 -4.25 113.62 124.36 3dl4 n SER 229 Ca -0.11 -0.99 -0.05 0.00 1.01 0.00 0.00 58.87 58.72 3dl4 n SER 229 Cb 0.50 -3.08 -0.04 0.00 -1.01 0.00 0.00 64.21 60.59 3dl4 n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3dl4 s GLY 230 N -4.19 -0.15 -0.01 0.23 0.00 -1.26 -4.79 107.32 97.14 3dl4 s GLY 230 Ca 0.12 2.14 -0.13 0.00 0.00 0.00 0.00 44.72 46.85 3dl4 s GLY 230 CO 0.89 0.86 0.27 -0.51 0.00 0.00 0.00 173.10 174.61 3dl4 s THR 231 N -1.59 0.06 0.31 0.90 -4.23 -1.26 -4.31 115.64 105.52 3dl4 s THR 231 Ca 0.06 -0.52 0.13 0.00 -1.18 0.00 0.00 61.69 60.18 3dl4 s THR 231 Cb -0.01 -0.57 0.05 0.00 1.34 0.00 0.00 72.50 73.31 3dl4 s THR 231 CO -0.04 -0.28 1.73 1.55 -0.54 0.00 0.00 174.62 177.04 3dl4 h PRO 232 N 3.97 0.00 -7.51 3.99 0.13 -1.82 -3.41 132.00 127.35 3dl4 h PRO 232 Ca -0.30 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.36 3dl4 h PRO 232 Cb 1.18 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.40 3dl4 h PRO 232 CO 0.40 0.47 0.35 0.54 -0.23 0.00 0.00 178.00 179.53 3dl4 s ASN 233 N -6.83 4.65 0.00 1.44 4.22 -1.26 -4.57 114.94 112.59 3dl4 s ASN 233 Ca -0.02 0.70 0.00 0.00 -2.14 0.00 0.00 52.86 51.40 3dl4 s ASN 233 Cb 0.13 -1.26 0.00 0.00 1.28 0.00 0.00 41.25 41.41 3dl4 s ASN 233 CO 0.73 -1.78 0.00 0.61 -2.04 0.00 0.00 177.10 174.62 3dl4 n GLY 234 N -3.18 1.14 0.01 0.45 0.00 -1.26 -4.75 105.19 97.60 3dl4 n GLY 234 Ca 0.08 -2.17 0.13 0.00 0.00 0.00 0.00 46.02 44.06 3dl4 n GLY 234 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dl4 n PRO 235 N -0.17 0.03 0.00 1.61 -0.04 -1.26 -4.11 135.00 131.06 3dl4 n PRO 235 Ca 0.00 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3dl4 n PRO 235 Cb 0.00 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 3dl4 n PRO 235 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3dl4 n TRP 236 N -1.60 0.00 0.44 0.54 4.27 -1.26 -4.77 117.44 115.06 3dl4 n TRP 236 Ca 0.07 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.81 3dl4 n TRP 236 Cb 0.34 0.00 0.41 0.00 -1.36 0.00 0.00 31.31 30.70 3dl4 n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3dl4 h ALA 237 N 0.00 1.00 -2.44 -1.67 0.00 -1.84 -3.44 119.26 110.87 3dl4 h ALA 237 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3dl4 h ALA 237 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 3dl4 h ALA 237 CO 0.00 0.00 -0.47 0.95 0.00 0.00 0.00 179.25 179.73 3dl4 s THR 238 N -3.25 0.15 0.09 0.00 -4.23 -1.26 -3.61 115.64 103.53 3dl4 s THR 238 Ca 0.07 -1.42 0.04 0.00 -1.18 0.00 0.00 61.69 59.20 3dl4 s THR 238 Cb 0.10 -1.49 -0.03 0.00 1.34 0.00 0.00 72.50 72.41 3dl4 s THR 238 CO 0.56 -0.69 -0.11 0.68 -0.54 0.00 0.00 174.62 174.51 3dl4 s VAL 239 N -3.90 1.00 0.95 2.29 -7.23 -0.58 -4.97 120.40 107.96 3dl4 s VAL 239 Ca 0.08 -1.56 -0.11 0.00 -1.81 0.00 0.00 61.98 58.57 3dl4 s VAL 239 Cb 0.06 -1.29 0.16 0.00 0.56 0.00 0.00 36.38 35.87 3dl4 s VAL 239 CO -0.09 -0.47 1.09 -0.94 -0.31 0.00 0.00 175.10 174.38 3dl4 s SER 240 N -2.28 2.87 0.16 4.85 1.04 -1.26 -2.03 113.70 117.04 3dl4 s SER 240 Ca 0.04 1.68 -0.16 0.00 0.48 0.00 0.00 55.95 57.99 3dl4 s SER 240 Cb -0.05 -2.31 0.05 0.00 0.10 0.00 0.00 66.02 63.81 3dl4 s SER 240 CO 0.01 -3.05 1.77 0.00 0.98 0.00 0.00 173.24 172.95 3dl4 h ALA 241 N -1.83 0.46 -0.40 5.32 0.00 -1.96 -1.01 119.26 119.84 3dl4 h ALA 241 Ca -0.50 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.49 3dl4 h ALA 241 Cb 1.29 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 3dl4 h ALA 241 CO 0.50 -0.19 0.07 0.78 0.00 0.00 0.00 179.25 180.42 3dl4 h GLY 242 N 0.37 0.47 1.28 0.00 0.00 -1.93 -0.44 103.07 102.81 3dl4 h GLY 242 Ca 0.16 -0.01 -0.14 0.00 0.00 0.00 0.00 47.33 47.33 3dl4 h GLY 242 CO -0.12 -0.04 -0.36 -2.09 0.00 0.00 0.00 176.54 173.93 3dl4 h GLU 243 N 0.20 0.80 -0.58 4.80 4.57 -1.89 -0.81 114.58 121.66 3dl4 h GLU 243 Ca 0.19 -0.40 -0.06 0.00 -1.18 0.00 0.00 59.36 57.92 3dl4 h GLU 243 Cb 0.24 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 3dl4 h GLU 243 CO -0.26 1.03 0.14 0.00 -1.18 0.00 0.00 179.01 178.73 3dl4 h ALA 244 N 0.92 1.14 -0.58 2.92 0.00 -0.75 -0.38 119.26 122.54 3dl4 h ALA 244 Ca 0.06 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3dl4 h ALA 244 Cb 0.92 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3dl4 h ALA 244 CO 0.08 0.58 -0.05 -0.09 0.00 0.00 0.00 179.25 179.77 3dl4 h ARG 245 N 0.87 1.05 -0.26 0.00 2.43 -0.68 -1.88 114.38 115.91 3dl4 h ARG 245 Ca 0.19 -0.36 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3dl4 h ARG 245 Cb 0.32 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3dl4 h ARG 245 CO -0.00 1.05 0.03 -0.09 -1.51 0.00 0.00 179.97 179.45 3dl4 h ARG 246 N 0.94 0.44 -0.18 0.20 2.43 -0.57 -0.87 114.38 116.76 3dl4 h ARG 246 Ca 0.16 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 3dl4 h ARG 246 Cb 0.61 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 3dl4 h ARG 246 CO 0.04 0.57 -0.27 0.00 -1.51 0.00 0.00 179.97 178.80 3dl4 h ARG 247 N 0.25 0.35 -0.05 0.20 3.08 -1.02 -1.28 114.38 115.90 3dl4 h ARG 247 Ca 0.08 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3dl4 h ARG 247 Cb 0.35 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 3dl4 h ARG 247 CO 0.01 0.60 -0.06 0.00 -1.07 0.00 0.00 179.97 179.45 3dl4 h ALA 248 N 1.41 0.08 -0.36 0.04 0.00 -1.13 -0.61 119.26 118.68 3dl4 h ALA 248 Ca 0.05 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.72 3dl4 h ALA 248 Cb 0.65 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3dl4 h ALA 248 CO 0.05 -0.12 0.11 1.15 0.00 0.00 0.00 179.25 180.43 3dl4 h THR 249 N -0.33 0.86 -0.13 0.00 2.02 -1.10 -0.48 112.91 113.75 3dl4 h THR 249 Ca 0.01 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3dl4 h THR 249 Cb 0.57 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3dl4 h THR 249 CO 0.01 0.04 0.08 0.25 0.37 0.00 0.00 175.52 176.28 3dl4 h LEU 250 N 0.25 0.16 -0.48 2.58 5.85 -1.23 -0.04 115.31 122.40 3dl4 h LEU 250 Ca 0.17 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.93 3dl4 h LEU 250 Cb 0.17 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 3dl4 h LEU 250 CO -0.19 0.14 0.15 0.25 -0.34 0.00 0.00 178.44 178.45 3dl4 h LEU 251 N 0.16 0.14 -0.30 2.25 6.46 -0.85 0.11 115.31 123.28 3dl4 h LEU 251 Ca 0.05 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.94 3dl4 h LEU 251 Cb 0.01 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 39.92 3dl4 h LEU 251 CO -0.01 0.11 -0.27 0.00 -0.62 0.00 0.00 178.44 177.64 3dl4 h ALA 252 N 1.33 -0.15 -0.29 1.25 0.00 -0.74 -1.91 119.26 118.75 3dl4 h ALA 252 Ca 0.23 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.29 3dl4 h ALA 252 Cb 0.25 0.58 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 3dl4 h ALA 252 CO -0.25 -0.69 -0.38 0.00 0.00 0.00 0.00 179.25 177.93 3dl4 h ARG 253 N -0.26 -0.35 0.00 0.00 3.08 0.23 0.09 114.38 117.17 3dl4 h ARG 253 Ca 0.15 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3dl4 h ARG 253 Cb 0.49 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3dl4 h ARG 253 CO -0.44 -0.23 0.20 -0.07 -1.07 0.00 0.00 179.97 178.36 3dl4 h LEU 254 N -0.36 0.00 -1.74 3.04 3.38 -0.04 -0.33 115.31 119.26 3dl4 h LEU 254 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3dl4 h LEU 254 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3dl4 h LEU 254 CO -0.49 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.37 3dl4 n VAL 255 N -2.66 0.29 -0.04 1.22 0.24 -0.64 -4.99 118.33 111.74 3dl4 n VAL 255 Ca -0.02 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 3dl4 n VAL 255 Cb 0.25 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 3dl4 n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dl4 n GLY 256 N 0.29 1.50 3.18 7.63 0.00 -0.13 -5.08 105.19 112.58 3dl4 n GLY 256 Ca 0.05 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3dl4 n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dl4 n PRO 258 N 3.54 0.00 0.00 0.00 -0.02 -1.26 -3.03 135.00 134.23 3dl4 n PRO 258 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 3dl4 n PRO 258 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 3dl4 n PRO 258 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dl4 n GLY 264 N 2.19 -0.03 2.07 -1.23 0.00 -1.26 -4.84 105.19 102.09 3dl4 n GLY 264 Ca 0.00 0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3dl4 n GLY 264 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dl4 n ASN 265 N -0.01 0.60 -0.26 1.61 4.13 -1.26 -4.89 115.26 115.18 3dl4 n ASN 265 Ca 0.00 0.66 -0.05 0.00 1.68 0.00 0.00 54.58 56.87 3dl4 n ASN 265 Cb 0.00 -0.49 0.09 0.00 -1.54 0.00 0.00 39.78 37.84 3dl4 n ASN 265 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3dl4 h ASP 266 N 2.66 1.04 -0.31 6.41 3.32 -2.00 -3.23 116.42 124.30 3dl4 h ASP 266 Ca -0.25 -0.17 0.07 0.00 0.02 0.00 0.00 57.03 56.70 3dl4 h ASP 266 Cb 0.76 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 39.97 3dl4 h ASP 266 CO 0.52 0.94 -0.23 0.74 -1.72 0.00 0.00 179.24 179.50 3dl4 h THR 267 N 1.09 0.40 0.00 0.35 2.02 -2.00 -1.50 112.91 113.27 3dl4 h THR 267 Ca 0.25 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.36 3dl4 h THR 267 Cb 0.24 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3dl4 h THR 267 CO -0.02 0.00 -0.31 1.05 0.37 0.00 0.00 175.52 176.61 3dl4 h GLU 268 N -0.20 0.00 0.20 6.66 4.11 -1.95 -1.10 114.58 122.31 3dl4 h GLU 268 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.58 3dl4 h GLU 268 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3dl4 h GLU 268 CO -0.43 0.31 -0.10 1.25 0.07 0.00 0.00 179.01 180.11 3dl4 h LEU 269 N 0.00 -0.23 -0.58 3.06 6.46 -1.50 -2.38 115.31 120.13 3dl4 h LEU 269 Ca -0.00 -0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.57 3dl4 h LEU 269 Cb 1.02 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.98 3dl4 h LEU 269 CO 0.04 -0.03 0.06 0.40 -0.62 0.00 0.00 178.44 178.29 3dl4 h ILE 270 N -0.42 1.26 -1.00 4.05 2.04 -1.13 -0.48 117.51 121.83 3dl4 h ILE 270 Ca -0.03 -1.04 0.07 0.00 1.00 0.00 0.00 64.86 64.87 3dl4 h ILE 270 Cb 0.32 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 3dl4 h ILE 270 CO 0.05 0.38 0.64 0.00 0.00 0.00 0.00 178.15 179.21 3dl4 h ALA 271 N 1.00 1.40 -0.09 1.87 0.00 -1.23 0.17 119.26 122.37 3dl4 h ALA 271 Ca 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3dl4 h ALA 271 Cb 0.46 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3dl4 h ALA 271 CO 0.02 0.41 -0.06 0.00 0.00 0.00 0.00 179.25 179.62 3dl4 h LEU 273 N -0.19 0.61 -1.93 0.00 3.38 -0.46 -1.21 115.31 115.52 3dl4 h LEU 273 Ca 0.02 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3dl4 h LEU 273 Cb 0.52 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3dl4 h LEU 273 CO 0.02 0.09 -0.05 0.03 0.09 0.00 0.00 178.44 178.61 3dl4 h ARG 274 N 0.52 0.00 -0.01 1.13 3.08 -0.39 -1.52 114.38 117.19 3dl4 h ARG 274 Ca 0.64 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.69 3dl4 h ARG 274 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3dl4 h ARG 274 CO -0.44 0.05 -0.18 0.25 -1.07 0.00 0.00 179.97 178.58 3dl4 n THR 275 N -3.26 0.00 -3.08 2.04 -2.24 -0.46 -4.88 114.28 102.40 3dl4 n THR 275 Ca -0.01 -0.16 -0.39 0.00 -2.27 0.00 0.00 64.05 61.22 3dl4 n THR 275 Cb 0.24 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.83 3dl4 n THR 275 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3dl4 s ARG 276 N -2.36 4.44 0.60 -0.78 1.81 -0.57 -5.03 118.95 117.05 3dl4 s ARG 276 Ca 0.28 1.00 -0.19 0.00 -1.72 0.00 0.00 55.73 55.10 3dl4 s ARG 276 Cb 0.20 -3.27 -0.03 0.00 -0.45 0.00 0.00 34.95 31.40 3dl4 s ARG 276 CO 0.47 0.55 1.24 -2.14 -0.68 0.00 0.00 175.30 174.73 3dl4 s PRO 277 N -0.95 2.88 0.25 3.54 0.02 -1.26 -4.92 135.00 134.56 3dl4 s PRO 277 Ca 0.34 1.90 -0.04 0.00 0.02 0.00 0.00 61.00 63.22 3dl4 s PRO 277 Cb -0.21 -1.92 0.38 0.00 0.02 0.00 0.00 34.50 32.76 3dl4 s PRO 277 CO 0.23 -1.30 1.85 0.00 -0.33 0.00 0.00 177.00 177.45 3dl4 h ALA 278 N 0.83 1.25 -0.37 -1.55 0.00 -1.96 -1.72 119.26 115.74 3dl4 h ALA 278 Ca -0.51 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3dl4 h ALA 278 Cb 1.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3dl4 h ALA 278 CO 0.55 0.27 0.15 0.37 0.00 0.00 0.00 179.25 180.59 3dl4 h GLN 279 N 0.98 0.52 -0.53 0.00 5.75 -1.99 -2.14 115.11 117.69 3dl4 h GLN 279 Ca 0.40 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.87 3dl4 h GLN 279 Cb 0.24 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 3dl4 h GLN 279 CO -0.20 0.43 0.30 -0.44 -2.65 0.00 0.00 178.83 176.27 3dl4 h ASP 280 N 0.52 0.45 -0.37 -0.69 5.19 -1.68 0.96 116.42 120.80 3dl4 h ASP 280 Ca 0.13 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.49 3dl4 h ASP 280 Cb 0.11 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 3dl4 h ASP 280 CO -0.01 0.31 -0.01 -0.07 -3.12 0.00 0.00 179.24 176.34 3dl4 h LEU 281 N 0.58 0.65 -0.85 1.55 3.38 -1.38 -2.66 115.31 116.58 3dl4 h LEU 281 Ca 0.23 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3dl4 h LEU 281 Cb 0.09 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3dl4 h LEU 281 CO -0.13 0.81 0.54 0.58 0.09 0.00 0.00 178.44 180.33 3dl4 h VAL 282 N 0.48 1.11 0.00 1.22 2.07 -1.22 -0.02 116.25 119.89 3dl4 h VAL 282 Ca 0.10 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3dl4 h VAL 282 Cb 0.48 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3dl4 h VAL 282 CO 0.02 0.19 -0.02 0.44 0.02 0.00 0.00 177.57 178.22 3dl4 h ASP 283 N 1.03 0.00 -0.01 0.57 3.32 -0.52 -2.86 116.42 117.94 3dl4 h ASP 283 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3dl4 h ASP 283 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3dl4 h ASP 283 CO -0.13 0.02 -0.27 1.41 -1.72 0.00 0.00 179.24 178.55 3dl4 n HIS 284 N -3.92 0.00 -0.33 4.55 8.25 -0.70 -4.67 115.22 118.40 3dl4 n HIS 284 Ca -0.03 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.65 3dl4 n HIS 284 Cb 0.11 0.00 0.44 0.00 1.12 0.00 0.00 29.99 31.66 3dl4 n HIS 284 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3dl4 h GLU 285 N 1.13 0.31 -0.01 -0.41 4.81 -0.79 -0.71 114.58 118.92 3dl4 h GLU 285 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3dl4 h GLU 285 Cb 0.38 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3dl4 h GLU 285 CO 0.00 0.20 -0.06 0.91 -0.73 0.00 0.00 179.01 179.34 3dl4 n TRP 286 N -5.07 0.00 0.28 0.92 7.02 -1.26 -4.00 117.44 115.32 3dl4 n TRP 286 Ca 0.30 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.84 3dl4 n TRP 286 Cb 0.92 -0.09 0.22 0.00 -2.42 0.00 0.00 31.31 29.95 3dl4 n TRP 286 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 3dl4 n HIS 287 N -0.69 0.85 0.01 -5.99 8.25 -0.27 -4.33 115.22 113.05 3dl4 n HIS 287 Ca 0.18 -0.36 0.03 0.00 -0.26 0.00 0.00 57.72 57.31 3dl4 n HIS 287 Cb 0.25 -0.12 0.08 0.00 1.12 0.00 0.00 29.99 31.32 3dl4 n HIS 287 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3dl4 n VAL 288 N 0.71 0.71 -2.73 1.59 0.24 -1.26 -5.01 118.33 112.58 3dl4 n VAL 288 Ca 0.16 -0.85 -0.40 0.00 -2.04 0.00 0.00 64.34 61.21 3dl4 n VAL 288 Cb 0.54 0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 33.54 3dl4 n VAL 288 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3dl4 s LEU 289 N -0.88 4.63 0.53 1.34 1.43 -1.26 -4.77 118.68 119.69 3dl4 s LEU 289 Ca 0.13 1.96 0.26 0.00 -1.03 0.00 0.00 54.13 55.44 3dl4 s LEU 289 Cb 0.07 -3.61 1.48 0.00 0.03 0.00 0.00 46.19 44.16 3dl4 s LEU 289 CO 0.09 0.11 2.11 1.55 0.23 0.00 0.00 176.35 180.44 3dl4 h PRO 290 N 4.28 0.00 -4.28 1.29 0.13 -1.99 -3.44 132.00 128.00 3dl4 h PRO 290 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 3dl4 h PRO 290 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 3dl4 h PRO 290 CO 0.68 0.10 -0.67 -0.65 -0.23 0.00 0.00 178.00 177.23 3dl4 s GLN 291 N -4.36 0.67 0.14 0.86 1.11 -1.26 -5.12 119.66 111.70 3dl4 s GLN 291 Ca -0.03 -1.26 -0.31 0.00 0.01 0.00 0.00 55.36 53.76 3dl4 s GLN 291 Cb 0.14 0.21 -0.10 0.00 -1.01 0.00 0.00 33.01 32.25 3dl4 s GLN 291 CO 0.59 -0.13 1.69 -2.00 0.01 0.00 0.00 175.29 175.45 3dl4 s GLU 292 N -3.94 4.17 0.33 2.91 2.12 -1.26 -4.98 118.70 118.05 3dl4 s GLU 292 Ca 0.10 2.47 -0.12 0.00 0.36 0.00 0.00 54.97 57.79 3dl4 s GLU 292 Cb 0.08 -3.36 0.02 0.00 0.26 0.00 0.00 34.13 31.13 3dl4 s GLU 292 CO -0.08 -0.73 0.61 -1.54 -0.54 0.00 0.00 175.26 172.97 3dl4 s SER 293 N 1.86 0.23 0.10 -1.70 1.04 -1.26 -4.66 113.70 109.32 3dl4 s SER 293 Ca 0.75 -1.13 0.03 0.00 0.48 0.00 0.00 55.95 56.08 3dl4 s SER 293 Cb -0.45 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 3dl4 s SER 293 CO 0.33 -1.39 -0.09 0.27 0.98 0.00 0.00 173.24 173.34 3dl4 s ILE 294 N -3.16 0.89 -1.54 -1.02 -4.36 -1.10 -4.82 121.20 106.09 3dl4 s ILE 294 Ca 0.21 -1.76 -0.05 0.00 -0.26 0.00 0.00 60.65 58.79 3dl4 s ILE 294 Cb -0.03 -1.48 0.01 0.00 1.25 0.00 0.00 42.46 42.21 3dl4 s ILE 294 CO 0.13 -0.67 0.69 0.33 0.24 0.00 0.00 174.94 175.66 3dl4 n PHE 295 N 0.32 -2.09 -4.12 1.37 -0.00 -1.26 -4.80 117.46 106.88 3dl4 n PHE 295 Ca -0.14 0.59 -0.16 0.00 -0.00 0.00 0.00 57.45 57.73 3dl4 n PHE 295 Cb 0.59 -4.56 -0.15 0.00 -0.00 0.00 0.00 39.48 35.36 3dl4 n PHE 295 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3dl4 s ARG 296 N -5.80 0.43 0.02 -4.13 1.81 -1.26 -4.70 118.95 105.32 3dl4 s ARG 296 Ca 0.34 -0.14 0.04 0.00 -1.72 0.00 0.00 55.73 54.26 3dl4 s ARG 296 Cb -0.15 -0.44 -0.02 0.00 -0.45 0.00 0.00 34.95 33.89 3dl4 s ARG 296 CO 0.43 0.06 -0.13 -0.06 -0.68 0.00 0.00 175.30 174.91 3dl4 s PHE 297 N 0.12 1.16 0.03 -0.53 0.08 -1.26 -5.04 117.98 112.53 3dl4 s PHE 297 Ca -0.01 -0.30 -0.22 0.00 0.12 0.00 0.00 56.93 56.52 3dl4 s PHE 297 Cb -0.05 -0.71 -0.15 0.00 -0.57 0.00 0.00 43.02 41.54 3dl4 s PHE 297 CO -0.00 0.01 1.36 0.77 -0.10 0.00 0.00 175.22 177.26 3dl4 h SER 298 N 5.28 0.26 -3.73 1.36 0.02 -1.91 -3.40 113.55 111.42 3dl4 h SER 298 Ca -0.36 -0.44 -0.67 0.00 -0.84 0.00 0.00 61.79 59.48 3dl4 h SER 298 Cb 1.18 -0.07 -0.37 0.00 0.14 0.00 0.00 62.40 63.27 3dl4 h SER 298 CO 0.46 0.64 -0.72 -0.36 -1.14 0.00 0.00 176.83 175.71 3dl4 s PHE 299 N -4.47 3.51 0.35 3.45 0.08 -1.26 -5.01 117.98 114.64 3dl4 s PHE 299 Ca -0.15 -2.53 0.03 0.00 0.12 0.00 0.00 56.93 54.41 3dl4 s PHE 299 Cb 0.04 -2.53 -0.05 0.00 -0.57 0.00 0.00 43.02 39.91 3dl4 s PHE 299 CO 0.72 -0.91 0.09 0.14 -0.10 0.00 0.00 175.22 175.16 3dl4 s VAL 300 N 1.06 0.92 0.27 -0.44 -7.23 -1.26 -4.54 120.40 109.18 3dl4 s VAL 300 Ca 0.02 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.90 3dl4 s VAL 300 Cb -0.20 -2.60 -0.14 0.00 0.56 0.00 0.00 36.38 33.99 3dl4 s VAL 300 CO -0.05 0.00 1.04 -2.65 -0.31 0.00 0.00 175.10 173.13 3dl4 n PRO 301 N -0.76 1.34 -3.94 4.82 -0.02 -1.24 -4.67 135.00 130.52 3dl4 n PRO 301 Ca -0.04 0.47 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 3dl4 n PRO 301 Cb 0.66 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 32.22 3dl4 n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3dl4 s VAL 302 N -0.90 5.33 -0.85 -1.45 0.11 -1.26 -1.53 120.40 119.86 3dl4 s VAL 302 Ca 0.61 -0.09 -0.25 0.00 -2.93 0.00 0.00 61.98 59.32 3dl4 s VAL 302 Cb -0.72 -3.43 0.03 0.00 -1.53 0.00 0.00 36.38 30.73 3dl4 s VAL 302 CO 0.58 0.42 1.45 -0.69 -3.33 0.00 0.00 175.10 173.54 3dl4 s VAL 303 N -1.21 3.74 -1.68 2.04 1.01 -0.86 -4.62 120.40 118.82 3dl4 s VAL 303 Ca 0.23 -0.13 0.22 0.00 0.00 0.00 0.00 61.98 62.30 3dl4 s VAL 303 Cb -0.12 -4.81 -0.07 0.00 0.00 0.00 0.00 36.38 31.37 3dl4 s VAL 303 CO 0.13 -1.73 1.05 -0.90 0.00 0.00 0.00 175.10 173.65 3dl4 n ASP 304 N 9.87 1.65 -0.52 3.32 5.75 -1.24 -3.81 116.55 131.57 3dl4 n ASP 304 Ca 0.19 -1.31 -0.07 0.00 -0.01 0.00 0.00 54.79 53.59 3dl4 n ASP 304 Cb 0.50 0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 41.19 3dl4 n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dl4 n GLY 305 N 1.45 0.81 0.00 6.12 0.00 -0.02 -4.87 105.19 108.68 3dl4 n GLY 305 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3dl4 n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dl4 n ASP 306 N -0.38 0.00 -0.03 1.61 -0.08 -1.26 -4.67 116.55 111.73 3dl4 n ASP 306 Ca -0.07 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.13 3dl4 n ASP 306 Cb 0.38 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.82 3dl4 n ASP 306 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3dl4 h PHE 307 N 0.00 -0.55 -3.62 -0.67 3.04 -1.92 -3.35 116.94 109.86 3dl4 h PHE 307 Ca 0.00 0.03 -0.69 0.00 3.98 0.00 0.00 57.97 61.29 3dl4 h PHE 307 Cb 0.00 0.28 -0.26 0.00 2.56 0.00 0.00 35.95 38.53 3dl4 h PHE 307 CO 0.00 -0.29 -0.57 -0.51 -2.02 0.00 0.00 178.31 174.92 3dl4 s LEU 308 N -10.48 4.34 0.37 0.59 1.43 -1.26 -4.60 118.68 109.06 3dl4 s LEU 308 Ca -0.15 -0.91 0.20 0.00 -1.03 0.00 0.00 54.13 52.24 3dl4 s LEU 308 Cb 0.12 -1.95 0.38 0.00 0.03 0.00 0.00 46.19 44.77 3dl4 s LEU 308 CO 0.68 -0.30 1.60 0.77 0.23 0.00 0.00 176.35 179.32 3dl4 h SER 309 N 8.32 0.00 -3.05 2.29 4.64 -1.83 -0.01 113.55 123.91 3dl4 h SER 309 Ca -0.27 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.90 3dl4 h SER 309 Cb 1.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 3dl4 h SER 309 CO 0.63 0.28 -0.03 -0.67 -0.87 0.00 0.00 176.83 176.17 3dl4 n ASP 310 N -3.22 -1.10 -4.73 4.97 -0.08 -1.26 -4.44 116.55 106.69 3dl4 n ASP 310 Ca 0.02 -2.27 -0.36 0.00 -1.51 0.00 0.00 54.79 50.67 3dl4 n ASP 310 Cb 0.59 1.99 0.08 0.00 2.34 0.00 0.00 41.12 46.12 3dl4 n ASP 310 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3dl4 s THR 311 N -2.62 2.14 0.23 5.18 -4.23 -1.26 -4.78 115.64 110.29 3dl4 s THR 311 Ca 0.18 0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 60.70 3dl4 s THR 311 Cb -0.01 -2.87 0.18 0.00 1.34 0.00 0.00 72.50 71.14 3dl4 s THR 311 CO 0.13 -0.03 1.82 -0.65 -0.54 0.00 0.00 174.62 175.35 3dl4 h PRO 312 N 0.18 0.77 -0.48 3.99 0.11 -1.98 -1.43 132.00 133.15 3dl4 h PRO 312 Ca -0.50 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.66 3dl4 h PRO 312 Cb 1.32 -0.17 -0.10 0.00 0.11 0.00 0.00 31.00 32.16 3dl4 h PRO 312 CO 0.51 0.51 -0.28 0.93 -0.21 0.00 0.00 178.00 179.47 3dl4 h GLU 313 N 0.79 -0.16 -0.48 1.05 3.07 -1.90 0.16 114.58 117.10 3dl4 h GLU 313 Ca 0.35 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.23 3dl4 h GLU 313 Cb 0.23 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 3dl4 h GLU 313 CO -0.20 -0.11 0.30 0.00 -1.40 0.00 0.00 179.01 177.60 3dl4 h ALA 314 N 1.02 0.62 0.00 3.43 0.00 -1.77 -2.58 119.26 119.98 3dl4 h ALA 314 Ca 0.21 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3dl4 h ALA 314 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3dl4 h ALA 314 CO -0.58 0.00 -0.46 -0.07 0.00 0.00 0.00 179.25 178.15 3dl4 h LEU 315 N 0.59 0.00 -0.16 0.00 3.38 -0.26 -2.63 115.31 116.23 3dl4 h LEU 315 Ca 0.19 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 3dl4 h LEU 315 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3dl4 h LEU 315 CO -0.08 0.46 -0.35 0.16 0.09 0.00 0.00 178.44 178.72 3dl4 h ILE 316 N 0.00 1.35 -0.80 1.22 3.07 -0.56 -2.35 117.51 119.44 3dl4 h ILE 316 Ca -0.00 -1.61 0.01 0.00 1.55 0.00 0.00 64.86 64.80 3dl4 h ILE 316 Cb 0.96 1.99 -0.04 0.00 -0.27 0.00 0.00 36.82 39.45 3dl4 h ILE 316 CO 0.06 0.49 0.53 0.78 -1.05 0.00 0.00 178.15 178.96 3dl4 h ASN 317 N 0.14 0.91 -0.05 2.16 2.35 -1.32 -3.25 115.58 116.53 3dl4 h ASN 317 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3dl4 h ASN 317 Cb 0.95 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.10 3dl4 h ASN 317 CO 0.08 0.65 0.00 0.35 -1.65 0.00 0.00 177.43 176.86 3dl4 n THR 318 N -4.42 0.08 -2.70 2.81 -2.24 -1.01 -5.00 114.28 101.81 3dl4 n THR 318 Ca 0.09 -0.54 -0.29 0.00 -2.27 0.00 0.00 64.05 61.05 3dl4 n THR 318 Cb 0.04 1.23 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 3dl4 n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3dl4 s GLY 319 N -1.14 1.67 -0.28 3.38 0.00 -0.89 -5.06 107.32 104.99 3dl4 s GLY 319 Ca 0.17 -0.39 -0.07 0.00 0.00 0.00 0.00 44.72 44.43 3dl4 s GLY 319 CO 0.17 -0.21 0.08 -0.35 0.00 0.00 0.00 173.10 172.80 3dl4 s ASP 320 N -3.76 5.14 -0.20 1.64 2.15 -1.26 -4.85 116.67 115.52 3dl4 s ASP 320 Ca 0.49 -0.56 0.14 0.00 0.43 0.00 0.00 52.55 53.05 3dl4 s ASP 320 Cb -0.10 -1.90 0.43 0.00 -0.30 0.00 0.00 42.92 41.05 3dl4 s ASP 320 CO 0.40 -0.15 1.31 0.49 -0.17 0.00 0.00 175.17 177.06 3dl4 n PHE 321 N 4.89 0.52 -0.02 -5.34 3.72 -0.69 -4.78 117.46 115.76 3dl4 n PHE 321 Ca -0.15 -1.24 -0.00 0.00 -0.05 0.00 0.00 57.45 56.00 3dl4 n PHE 321 Cb 0.49 -0.30 -0.00 0.00 -0.94 0.00 0.00 39.48 38.72 3dl4 n PHE 321 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3dl4 n GLN 322 N -1.07 -0.02 -0.07 -1.08 -0.06 -1.16 -2.39 117.38 111.54 3dl4 n GLN 322 Ca 0.23 0.21 0.01 0.00 -2.00 0.00 0.00 57.00 55.45 3dl4 n GLN 322 Cb 0.82 -0.31 0.04 0.00 -4.06 0.00 0.00 30.24 26.73 3dl4 n GLN 322 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3dl4 n ASP 323 N -2.59 0.85 -4.27 1.69 9.92 -1.26 -4.58 116.55 116.32 3dl4 n ASP 323 Ca 0.00 -2.04 -0.34 0.00 -0.53 0.00 0.00 54.79 51.88 3dl4 n ASP 323 Cb 0.01 -0.23 -0.15 0.00 -0.64 0.00 0.00 41.12 40.12 3dl4 n ASP 323 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3dl4 s LEU 324 N -0.75 2.66 -0.13 0.64 2.96 -1.00 -4.97 118.68 118.08 3dl4 s LEU 324 Ca 0.06 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.48 3dl4 s LEU 324 Cb 0.04 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 3dl4 s LEU 324 CO 0.03 0.01 -0.01 -1.10 -1.32 0.00 0.00 176.35 173.96 3dl4 s GLN 325 N 1.28 3.45 -0.04 1.98 1.11 -1.26 -0.49 119.66 125.69 3dl4 s GLN 325 Ca 0.03 -0.45 -0.02 0.00 0.01 0.00 0.00 55.36 54.94 3dl4 s GLN 325 Cb -0.14 -2.91 0.02 0.00 -1.01 0.00 0.00 33.01 28.97 3dl4 s GLN 325 CO -0.05 0.43 0.08 0.08 0.01 0.00 0.00 175.29 175.85 3dl4 s VAL 326 N -0.13 -0.03 -0.14 1.09 1.01 0.68 -2.03 120.40 120.84 3dl4 s VAL 326 Ca 0.04 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 3dl4 s VAL 326 Cb -0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 3dl4 s VAL 326 CO 0.02 0.05 -0.11 -0.22 0.00 0.00 0.00 175.10 174.84 3dl4 s LEU 327 N 0.71 2.83 0.05 3.92 2.96 0.21 -0.75 118.68 128.60 3dl4 s LEU 327 Ca -0.06 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3dl4 s LEU 327 Cb -0.08 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 3dl4 s LEU 327 CO -0.03 0.15 -0.08 0.68 -1.32 0.00 0.00 176.35 175.75 3dl4 s VAL 328 N 0.45 0.59 0.00 1.68 -7.23 0.08 -0.78 120.40 115.19 3dl4 s VAL 328 Ca -0.08 -1.19 -0.14 0.00 -1.81 0.00 0.00 61.98 58.76 3dl4 s VAL 328 Cb -0.15 -0.75 0.05 0.00 0.56 0.00 0.00 36.38 36.08 3dl4 s VAL 328 CO 0.04 -0.43 0.64 0.61 -0.31 0.00 0.00 175.10 175.66 3dl4 n GLY 329 N 1.28 0.50 3.12 2.32 0.00 -1.00 -1.58 105.19 109.83 3dl4 n GLY 329 Ca -0.22 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 3dl4 n GLY 329 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dl4 s VAL 330 N -2.12 0.17 0.43 1.61 -7.23 -0.90 -0.19 120.40 112.18 3dl4 s VAL 330 Ca 0.15 -1.81 0.03 0.00 -1.81 0.00 0.00 61.98 58.54 3dl4 s VAL 330 Cb -0.01 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.23 3dl4 s VAL 330 CO 0.00 -0.77 0.62 0.68 -0.31 0.00 0.00 175.10 175.32 3dl4 s VAL 331 N -3.97 3.64 0.26 1.32 -7.23 -1.26 0.15 120.40 113.30 3dl4 s VAL 331 Ca 0.13 -0.73 -0.02 0.00 -1.81 0.00 0.00 61.98 59.55 3dl4 s VAL 331 Cb 0.08 -3.31 0.23 0.00 0.56 0.00 0.00 36.38 33.94 3dl4 s VAL 331 CO -0.06 -0.18 1.78 0.50 -0.31 0.00 0.00 175.10 176.84 3dl4 h LYS 332 N 0.50 0.68 -2.75 4.82 3.64 -1.31 -3.34 116.57 118.80 3dl4 h LYS 332 Ca -0.44 -0.04 -0.61 0.00 -1.27 0.00 0.00 60.65 58.29 3dl4 h LYS 332 Cb 1.27 -0.15 -0.41 0.00 -0.41 0.00 0.00 32.23 32.52 3dl4 h LYS 332 CO 0.54 0.45 -0.70 -0.25 -2.27 0.00 0.00 179.45 177.21 3dl4 n ASP 333 N -4.81 2.08 0.24 4.20 9.92 0.08 -4.91 116.55 123.35 3dl4 n ASP 333 Ca 0.16 -3.00 0.11 0.00 -0.53 0.00 0.00 54.79 51.53 3dl4 n ASP 333 Cb 0.37 -0.69 0.57 0.00 -0.64 0.00 0.00 41.12 40.72 3dl4 n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3dl4 h GLU 334 N 5.25 0.00 -0.01 -1.24 4.39 -1.76 -3.20 114.58 118.00 3dl4 h GLU 334 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 3dl4 h GLU 334 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3dl4 h GLU 334 CO 0.63 0.18 -0.59 0.41 -1.16 0.00 0.00 179.01 178.48 3dl4 n GLY 335 N -0.14 -0.29 0.19 -3.84 0.00 -1.25 -4.50 105.19 95.35 3dl4 n GLY 335 Ca -0.01 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 3dl4 n GLY 335 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dl4 h SER 336 N 1.70 0.62 -0.52 1.61 4.64 -1.79 -3.35 113.55 116.47 3dl4 h SER 336 Ca 0.00 -0.42 0.07 0.00 -0.47 0.00 0.00 61.79 60.98 3dl4 h SER 336 Cb 0.67 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.52 3dl4 h SER 336 CO 0.00 1.18 0.17 0.22 -0.87 0.00 0.00 176.83 177.54 3dl4 h TYR 337 N 0.34 0.30 -0.00 4.77 3.20 -1.81 -2.82 116.97 120.95 3dl4 h TYR 337 Ca -0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3dl4 h TYR 337 Cb 1.38 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.59 3dl4 h TYR 337 CO 0.06 0.09 -0.38 1.19 -1.64 0.00 0.00 178.16 177.48 3dl4 n PHE 338 N -5.02 0.00 -0.23 -3.82 3.72 -1.25 -3.62 117.46 107.24 3dl4 n PHE 338 Ca 0.06 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.55 3dl4 n PHE 338 Cb 0.22 -0.16 0.37 0.00 -0.94 0.00 0.00 39.48 38.96 3dl4 n PHE 338 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3dl4 h LEU 339 N 0.75 0.66 -0.05 4.37 3.38 -1.63 0.13 115.31 122.92 3dl4 h LEU 339 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dl4 h LEU 339 Cb 0.51 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3dl4 h LEU 339 CO 0.00 0.38 0.00 1.33 0.09 0.00 0.00 178.44 180.24 3dl4 n VAL 340 N -4.51 0.38 0.11 1.22 0.24 -1.24 -1.69 118.33 112.83 3dl4 n VAL 340 Ca 0.14 0.02 -0.23 0.00 -2.04 0.00 0.00 64.34 62.23 3dl4 n VAL 340 Cb 0.35 -0.67 -0.15 0.00 -1.47 0.00 0.00 33.84 31.90 3dl4 n VAL 340 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 3dl4 h TYR 341 N 0.00 0.81 0.00 6.34 -1.99 -1.17 -3.45 116.97 117.52 3dl4 h TYR 341 Ca 0.00 -0.59 -0.04 0.00 2.00 0.00 0.00 58.73 60.09 3dl4 h TYR 341 Cb 0.48 -0.03 -0.06 0.00 2.00 0.00 0.00 36.73 39.12 3dl4 h TYR 341 CO 0.00 1.60 -0.23 0.41 -0.00 0.00 0.00 178.16 179.93 3dl4 n GLY 342 N 1.78 0.80 3.43 3.88 0.00 -1.14 -5.04 105.19 108.90 3dl4 n GLY 342 Ca -0.20 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 3dl4 n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dl4 s VAL 343 N 0.00 4.32 0.40 1.61 1.01 -0.68 -4.94 120.40 122.12 3dl4 s VAL 343 Ca 0.03 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 3dl4 s VAL 343 Cb 0.03 -3.08 -0.09 0.00 0.00 0.00 0.00 36.38 33.24 3dl4 s VAL 343 CO -0.01 0.26 1.31 -2.84 0.00 0.00 0.00 175.10 173.81 3dl4 s PRO 344 N 1.60 3.98 0.00 2.72 0.02 -1.26 -2.15 135.00 139.90 3dl4 s PRO 344 Ca 0.06 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.24 3dl4 s PRO 344 Cb -0.16 -2.77 0.00 0.00 0.02 0.00 0.00 34.50 31.60 3dl4 s PRO 344 CO 0.04 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 3dl4 n GLY 345 N 0.67 2.01 3.88 0.52 0.00 -1.26 -4.94 105.19 106.07 3dl4 n GLY 345 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3dl4 n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dl4 s PHE 346 N -2.18 3.59 -0.03 1.61 0.40 -0.92 -4.71 117.98 115.76 3dl4 s PHE 346 Ca 0.00 0.53 -0.29 0.00 -0.60 0.00 0.00 56.93 56.56 3dl4 s PHE 346 Cb 0.00 -1.95 0.07 0.00 0.51 0.00 0.00 43.02 41.65 3dl4 s PHE 346 CO 0.00 0.68 0.65 0.45 0.70 0.00 0.00 175.22 177.70 3dl4 s SER 347 N -1.42 -0.63 0.44 1.36 0.15 -1.26 -4.69 113.70 107.65 3dl4 s SER 347 Ca 0.22 0.61 0.24 0.00 0.70 0.00 0.00 55.95 57.72 3dl4 s SER 347 Cb -0.13 0.54 0.74 0.00 -1.71 0.00 0.00 66.02 65.46 3dl4 s SER 347 CO 0.11 -0.64 1.75 0.07 1.20 0.00 0.00 173.24 175.73 3dl4 h LYS 348 N 2.93 0.00 -0.15 5.44 2.10 -1.98 -3.29 116.57 121.62 3dl4 h LYS 348 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3dl4 h LYS 348 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3dl4 h LYS 348 CO 0.39 0.17 0.00 -0.25 -2.00 0.00 0.00 179.45 177.76 3dl4 n ASP 349 N -3.23 2.36 -2.32 7.07 8.00 -1.26 -4.37 116.55 122.79 3dl4 n ASP 349 Ca 0.01 -1.79 -0.10 0.00 0.71 0.00 0.00 54.79 53.62 3dl4 n ASP 349 Cb 0.48 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 3dl4 n ASP 349 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3dl4 n ASN 350 N 0.80 -0.79 0.00 -2.24 0.23 -1.24 -5.04 115.26 106.98 3dl4 n ASN 350 Ca 0.17 -2.27 0.12 0.00 -0.53 0.00 0.00 54.58 52.08 3dl4 n ASN 350 Cb 0.46 1.52 0.64 0.00 -2.08 0.00 0.00 39.78 40.32 3dl4 n ASN 350 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3dl4 n GLU 351 N -0.38 0.37 -3.87 -3.83 4.71 -1.26 -4.75 120.64 111.62 3dl4 n GLU 351 Ca 0.01 0.05 -0.34 0.00 -0.01 0.00 0.00 57.16 56.87 3dl4 n GLU 351 Cb 0.38 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.33 3dl4 n GLU 351 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3dl4 n SER 352 N -1.28 -3.49 -4.73 1.62 7.64 -1.26 -4.95 113.62 107.17 3dl4 n SER 352 Ca 0.12 -1.10 -0.40 0.00 1.01 0.00 0.00 58.87 58.50 3dl4 n SER 352 Cb 0.20 -2.81 -0.05 0.00 -1.01 0.00 0.00 64.21 60.54 3dl4 n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3dl4 s LEU 353 N -6.87 4.39 0.39 -3.43 1.43 -1.26 -4.70 118.68 108.62 3dl4 s LEU 353 Ca 0.34 1.39 0.05 0.00 -1.03 0.00 0.00 54.13 54.88 3dl4 s LEU 353 Cb -0.14 -3.23 -0.06 0.00 0.03 0.00 0.00 46.19 42.78 3dl4 s LEU 353 CO 0.90 -0.08 0.03 0.27 0.23 0.00 0.00 176.35 177.71 3dl4 s ILE 354 N 0.43 1.57 0.48 -0.59 -4.36 -1.21 -5.02 121.20 112.50 3dl4 s ILE 354 Ca 0.40 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.87 3dl4 s ILE 354 Cb -0.20 -2.80 0.03 0.00 1.25 0.00 0.00 42.46 40.74 3dl4 s ILE 354 CO 0.22 0.00 0.58 -0.94 0.24 0.00 0.00 174.94 175.04 3dl4 s SER 355 N -3.65 5.23 0.35 4.36 1.04 -1.26 -4.20 113.70 115.57 3dl4 s SER 355 Ca 0.32 -0.72 0.04 0.00 0.48 0.00 0.00 55.95 56.06 3dl4 s SER 355 Cb 0.08 -0.21 0.64 0.00 0.10 0.00 0.00 66.02 66.62 3dl4 s SER 355 CO 0.15 -0.96 1.94 -0.09 0.98 0.00 0.00 173.24 175.26 3dl4 h ARG 356 N 0.59 0.64 -0.19 4.02 2.43 -1.89 -0.67 114.38 119.31 3dl4 h ARG 356 Ca -0.37 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 3dl4 h ARG 356 Cb 1.28 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 3dl4 h ARG 356 CO 0.48 0.54 -0.01 0.00 -1.51 0.00 0.00 179.97 179.47 3dl4 h ALA 357 N 1.55 0.26 -0.28 2.80 0.00 -1.99 -0.84 119.26 120.76 3dl4 h ALA 357 Ca 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3dl4 h ALA 357 Cb 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3dl4 h ALA 357 CO -0.01 -0.01 0.08 1.96 0.00 0.00 0.00 179.25 181.27 3dl4 h GLN 358 N 0.10 0.40 -0.12 0.00 4.20 -1.85 -1.91 115.11 115.93 3dl4 h GLN 358 Ca 0.05 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3dl4 h GLN 358 Cb 0.41 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 3dl4 h GLN 358 CO 0.01 0.36 -0.09 0.35 -0.67 0.00 0.00 178.83 178.79 3dl4 h PHE 359 N 0.40 0.33 -0.89 2.96 3.04 -0.72 -0.33 116.94 121.73 3dl4 h PHE 359 Ca 0.10 -0.09 0.02 0.00 3.98 0.00 0.00 57.97 61.98 3dl4 h PHE 359 Cb 0.14 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.52 3dl4 h PHE 359 CO 0.00 0.66 0.59 -0.07 -2.02 0.00 0.00 178.31 177.47 3dl4 h LEU 360 N -0.09 0.98 -0.55 0.59 3.38 -0.89 -0.43 115.31 118.30 3dl4 h LEU 360 Ca 0.02 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3dl4 h LEU 360 Cb 0.59 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3dl4 h LEU 360 CO 0.02 0.69 -0.39 0.00 0.09 0.00 0.00 178.44 178.86 3dl4 h ALA 361 N 1.47 0.73 -0.44 1.53 0.00 -1.31 -2.91 119.26 118.32 3dl4 h ALA 361 Ca 0.34 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3dl4 h ALA 361 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3dl4 h ALA 361 CO -0.09 0.66 -0.01 0.78 0.00 0.00 0.00 179.25 180.59 3dl4 h GLY 362 N 0.93 0.78 1.10 0.00 0.00 -0.07 -2.22 103.07 103.59 3dl4 h GLY 362 Ca 0.05 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 3dl4 h GLY 362 CO 0.09 0.48 0.06 -2.08 0.00 0.00 0.00 176.54 175.08 3dl4 h VAL 363 N 0.68 1.26 0.00 4.60 2.07 -0.94 0.27 116.25 124.20 3dl4 h VAL 363 Ca 0.13 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 3dl4 h VAL 363 Cb 0.44 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3dl4 h VAL 363 CO 0.02 0.40 -0.18 0.03 0.02 0.00 0.00 177.57 177.87 3dl4 h ARG 364 N 1.01 0.00 0.21 1.57 2.47 -1.24 -0.67 114.38 117.73 3dl4 h ARG 364 Ca 0.19 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.56 3dl4 h ARG 364 Cb 0.50 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.84 3dl4 h ARG 364 CO 0.02 0.18 -1.67 0.82 0.56 0.00 0.00 179.97 179.88 3dl4 h ILE 365 N 0.00 1.05 0.00 2.04 2.04 -0.82 -3.22 117.51 118.60 3dl4 h ILE 365 Ca -0.00 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.28 3dl4 h ILE 365 Cb 0.37 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 3dl4 h ILE 365 CO 0.02 0.84 0.00 1.23 0.00 0.00 0.00 178.15 180.25 3dl4 h GLY 366 N 0.49 0.00 -5.93 5.37 0.00 -0.41 -2.91 103.07 99.69 3dl4 h GLY 366 Ca -0.32 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.46 3dl4 h GLY 366 CO 0.21 0.00 -0.96 -0.62 0.00 0.00 0.00 176.54 175.18 3dl4 n VAL 367 N -2.71 0.67 0.25 4.60 0.31 -0.27 -4.86 118.33 116.32 3dl4 n VAL 367 Ca 0.04 -4.67 0.11 0.00 -0.01 0.00 0.00 64.34 59.81 3dl4 n VAL 367 Cb 0.44 -1.43 0.66 0.00 -0.91 0.00 0.00 33.84 32.61 3dl4 n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3dl4 h PRO 368 N 3.60 0.00 0.00 5.55 0.13 -1.65 -1.59 132.00 138.03 3dl4 h PRO 368 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3dl4 h PRO 368 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3dl4 h PRO 368 CO 0.60 0.14 0.00 1.04 -0.23 0.00 0.00 178.00 179.56 3dl4 n GLN 369 N -3.82 0.99 -3.28 0.86 3.00 -1.26 -4.91 117.38 108.96 3dl4 n GLN 369 Ca -0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.58 3dl4 n GLN 369 Cb 0.24 -1.21 -0.06 0.00 0.00 0.00 0.00 30.24 29.21 3dl4 n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3dl4 s ALA 370 N -2.00 3.56 1.18 -1.58 0.00 -0.60 -5.07 121.76 117.25 3dl4 s ALA 370 Ca 0.20 -0.01 -0.18 0.00 0.00 0.00 0.00 51.96 51.97 3dl4 s ALA 370 Cb 0.09 -2.64 0.28 0.00 0.00 0.00 0.00 23.12 20.85 3dl4 s ALA 370 CO 0.16 0.31 1.09 -1.54 0.00 0.00 0.00 175.76 175.78 3dl4 s SER 371 N -0.71 1.06 0.30 0.00 1.04 -1.26 -4.76 113.70 109.38 3dl4 s SER 371 Ca 0.29 0.76 -0.01 0.00 0.48 0.00 0.00 55.95 57.47 3dl4 s SER 371 Cb -0.18 -1.10 0.47 0.00 0.10 0.00 0.00 66.02 65.30 3dl4 s SER 371 CO 0.17 -4.05 1.93 0.44 0.98 0.00 0.00 173.24 172.71 3dl4 h ASP 372 N -2.53 0.84 -0.03 7.02 5.19 -1.98 -0.97 116.42 123.95 3dl4 h ASP 372 Ca -0.47 -0.06 -0.09 0.00 -0.62 0.00 0.00 57.03 55.79 3dl4 h ASP 372 Cb 1.31 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 40.61 3dl4 h ASP 372 CO 0.38 0.68 -0.33 0.25 -3.12 0.00 0.00 179.24 177.10 3dl4 h LEU 373 N 0.96 0.35 -0.62 1.55 5.85 -1.96 -0.59 115.31 120.84 3dl4 h LEU 373 Ca 0.24 -0.71 0.06 0.00 0.84 0.00 0.00 57.88 58.32 3dl4 h LEU 373 Cb 0.02 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3dl4 h LEU 373 CO -0.04 1.00 0.32 0.00 -0.34 0.00 0.00 178.44 179.38 3dl4 h ALA 374 N 0.35 0.83 -0.53 1.25 0.00 -1.83 -0.49 119.26 118.84 3dl4 h ALA 374 Ca -0.03 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3dl4 h ALA 374 Cb 1.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3dl4 h ALA 374 CO 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 179.25 179.30 3dl4 h ALA 375 N 1.35 0.72 -0.50 0.00 0.00 -1.10 -1.51 119.26 118.22 3dl4 h ALA 375 Ca 0.29 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3dl4 h ALA 375 Cb 0.22 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3dl4 h ALA 375 CO -0.20 0.53 0.16 1.49 0.00 0.00 0.00 179.25 181.22 3dl4 h GLU 376 N 0.81 0.31 -0.86 0.00 4.57 -0.68 -0.33 114.58 118.40 3dl4 h GLU 376 Ca 0.15 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.35 3dl4 h GLU 376 Cb 0.51 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.98 3dl4 h GLU 376 CO 0.02 0.21 0.55 0.00 -1.18 0.00 0.00 179.01 178.61 3dl4 h ALA 377 N 1.35 1.13 -0.09 2.92 0.00 -0.29 0.22 119.26 124.50 3dl4 h ALA 377 Ca 0.24 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3dl4 h ALA 377 Cb 0.28 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3dl4 h ALA 377 CO -0.26 0.40 0.06 0.28 0.00 0.00 0.00 179.25 179.72 3dl4 h VAL 378 N 1.08 1.05 -0.36 0.00 2.07 -0.32 -0.38 116.25 119.39 3dl4 h VAL 378 Ca 0.34 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.69 3dl4 h VAL 378 Cb 0.00 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3dl4 h VAL 378 CO -0.11 0.04 -0.02 0.58 0.02 0.00 0.00 177.57 178.08 3dl4 h VAL 379 N 0.09 1.21 -0.13 2.57 2.07 -0.42 -1.26 116.25 120.38 3dl4 h VAL 379 Ca 0.03 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 3dl4 h VAL 379 Cb 0.02 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3dl4 h VAL 379 CO -0.01 0.29 -0.03 -0.07 0.02 0.00 0.00 177.57 177.78 3dl4 h LEU 380 N 0.54 0.25 -0.60 2.57 -0.00 -0.36 -2.21 115.31 115.50 3dl4 h LEU 380 Ca 0.11 -0.37 0.03 0.00 -0.00 0.00 0.00 57.88 57.65 3dl4 h LEU 380 Cb 0.37 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 40.93 3dl4 h LEU 380 CO 0.01 0.56 0.36 -0.74 -0.00 0.00 0.00 178.44 178.64 3dl4 h HIS 381 N -0.07 0.67 -0.01 1.13 2.76 -0.45 -3.19 115.15 116.00 3dl4 h HIS 381 Ca 0.03 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3dl4 h HIS 381 Cb 0.46 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.20 3dl4 h HIS 381 CO 0.05 0.37 -0.54 0.66 -1.30 0.00 0.00 177.93 177.17 3dl4 n TYR 382 N -4.75 0.00 -2.41 5.26 4.02 -0.53 -4.85 117.16 113.89 3dl4 n TYR 382 Ca 0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.54 3dl4 n TYR 382 Cb 0.09 -0.10 -0.04 0.00 -0.02 0.00 0.00 39.34 39.27 3dl4 n TYR 382 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3dl4 s THR 383 N -2.75 3.52 -0.58 -0.72 2.01 -0.83 -4.88 115.64 111.41 3dl4 s THR 383 Ca 0.16 1.37 -0.22 0.00 0.31 0.00 0.00 61.69 63.31 3dl4 s THR 383 Cb 0.18 -3.88 0.06 0.00 0.01 0.00 0.00 72.50 68.87 3dl4 s THR 383 CO 0.66 0.27 0.87 -0.62 -0.69 0.00 0.00 174.62 175.11 3dl4 s ASP 384 N -0.27 6.25 0.05 3.53 -1.08 -1.26 -4.95 116.67 118.93 3dl4 s ASP 384 Ca 0.49 -0.73 0.14 0.00 -0.52 0.00 0.00 52.55 51.93 3dl4 s ASP 384 Cb -0.32 -2.39 0.58 0.00 -1.46 0.00 0.00 42.92 39.32 3dl4 s ASP 384 CO 0.39 -1.23 1.43 0.79 0.52 0.00 0.00 175.17 177.07 3dl4 n TRP 385 N 7.23 0.14 -0.06 -5.34 7.02 -1.26 -0.98 117.44 124.19 3dl4 n TRP 385 Ca -0.02 0.06 -0.15 0.00 -1.02 0.00 0.00 57.50 56.36 3dl4 n TRP 385 Cb 0.46 -0.59 -0.05 0.00 -2.42 0.00 0.00 31.31 28.71 3dl4 n TRP 385 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3dl4 h LEU 386 N 0.00 0.96 -5.61 -0.99 4.07 -2.04 -3.39 115.31 108.30 3dl4 h LEU 386 Ca 0.00 -0.55 -0.53 0.00 0.08 0.00 0.00 57.88 56.88 3dl4 h LEU 386 Cb 0.22 -0.28 -0.41 0.00 1.08 0.00 0.00 40.66 41.27 3dl4 h LEU 386 CO 0.00 1.35 -0.92 1.41 -1.08 0.00 0.00 178.44 179.19 3dl4 n HIS 387 N -3.98 2.11 0.47 1.13 8.25 -0.15 -4.94 115.22 118.10 3dl4 n HIS 387 Ca -0.05 -3.87 0.10 0.00 -0.26 0.00 0.00 57.72 53.64 3dl4 n HIS 387 Cb 0.66 -0.45 0.41 0.00 1.12 0.00 0.00 29.99 31.74 3dl4 n HIS 387 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3dl4 n PRO 388 N 0.01 0.10 -0.02 -0.41 -0.04 -0.77 -1.75 135.00 132.13 3dl4 n PRO 388 Ca 0.28 0.32 0.06 0.00 -0.04 0.00 0.00 63.50 64.12 3dl4 n PRO 388 Cb 0.54 -1.69 0.06 0.00 -0.04 0.00 0.00 33.50 32.37 3dl4 n PRO 388 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3dl4 n GLU 389 N -1.88 0.89 -2.19 0.54 -0.58 -1.26 -4.85 120.64 111.30 3dl4 n GLU 389 Ca 0.03 -1.31 -0.43 0.00 -0.42 0.00 0.00 57.16 55.04 3dl4 n GLU 389 Cb 0.21 -1.24 -0.02 0.00 -0.57 0.00 0.00 31.44 29.82 3dl4 n GLU 389 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3dl4 s ASP 390 N -1.02 6.79 0.24 1.62 2.15 -0.72 -4.72 116.67 121.02 3dl4 s ASP 390 Ca 0.15 1.99 0.06 0.00 0.43 0.00 0.00 52.55 55.18 3dl4 s ASP 390 Cb 0.10 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 40.46 3dl4 s ASP 390 CO 0.15 -0.85 1.57 1.55 -0.17 0.00 0.00 175.17 177.42 3dl4 h PRO 391 N 8.94 0.19 -0.49 4.34 0.13 -1.90 -1.37 132.00 141.84 3dl4 h PRO 391 Ca -0.34 -0.13 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 3dl4 h PRO 391 Cb 1.14 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3dl4 h PRO 391 CO 0.96 0.74 -0.02 1.15 -0.23 0.00 0.00 178.00 180.60 3dl4 h THR 392 N 0.14 1.27 -0.17 1.56 2.02 -1.91 -1.40 112.91 114.41 3dl4 h THR 392 Ca -0.01 -1.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.02 3dl4 h THR 392 Cb 1.10 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3dl4 h THR 392 CO 0.09 0.39 -0.06 -0.74 0.37 0.00 0.00 175.52 175.57 3dl4 h HIS 393 N 0.75 0.38 -0.47 3.16 -0.00 -1.83 -2.30 115.15 114.84 3dl4 h HIS 393 Ca 0.14 -0.09 0.09 0.00 -0.00 0.00 0.00 60.37 60.51 3dl4 h HIS 393 Cb 0.55 -0.09 -0.07 0.00 -0.00 0.00 0.00 27.41 27.80 3dl4 h HIS 393 CO 0.04 0.62 0.03 -0.07 -0.00 0.00 0.00 177.93 178.55 3dl4 h LEU 394 N 0.03 -0.14 -0.47 0.26 3.38 -1.27 0.62 115.31 117.72 3dl4 h LEU 394 Ca 0.04 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.15 3dl4 h LEU 394 Cb 0.51 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3dl4 h LEU 394 CO 0.02 -0.04 0.24 -0.09 0.09 0.00 0.00 178.44 178.67 3dl4 h ARG 395 N 0.15 0.47 -0.04 1.13 1.12 -1.11 0.88 114.38 116.97 3dl4 h ARG 395 Ca 0.23 -0.03 -0.11 0.00 -1.11 0.00 0.00 59.98 58.97 3dl4 h ARG 395 Cb 0.33 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.18 3dl4 h ARG 395 CO -0.36 0.31 -0.47 -0.44 -3.11 0.00 0.00 179.97 175.89 3dl4 h ASP 396 N 0.48 0.11 -0.19 -3.80 3.32 -0.73 -2.67 116.42 112.94 3dl4 h ASP 396 Ca 0.20 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 3dl4 h ASP 396 Cb 0.10 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3dl4 h ASP 396 CO -0.14 0.57 -0.35 0.00 -1.72 0.00 0.00 179.24 177.61 3dl4 h ALA 397 N 1.43 0.79 -0.57 3.45 0.00 0.12 -1.06 119.26 123.42 3dl4 h ALA 397 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 3dl4 h ALA 397 Cb 0.87 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3dl4 h ALA 397 CO 0.07 0.65 0.35 1.98 0.00 0.00 0.00 179.25 182.29 3dl4 h MET 398 N 0.59 0.78 -0.42 0.00 1.85 -0.64 0.03 114.93 117.11 3dl4 h MET 398 Ca 0.06 -0.07 -0.00 0.00 -0.61 0.00 0.00 59.70 59.08 3dl4 h MET 398 Cb 0.88 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 32.72 3dl4 h MET 398 CO 0.08 0.56 0.26 1.03 -0.40 0.00 0.00 176.91 178.43 3dl4 h SER 399 N 0.77 0.50 -0.42 1.39 0.87 -1.24 -2.73 113.55 112.70 3dl4 h SER 399 Ca 0.21 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3dl4 h SER 399 Cb -0.02 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 3dl4 h SER 399 CO -0.04 0.40 0.24 0.00 -0.53 0.00 0.00 176.83 176.91 3dl4 h ALA 400 N 1.12 0.54 -0.43 6.23 0.00 -0.45 -0.37 119.26 125.90 3dl4 h ALA 400 Ca 0.15 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3dl4 h ALA 400 Cb -0.01 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 3dl4 h ALA 400 CO -0.03 0.05 0.05 0.28 0.00 0.00 0.00 179.25 179.60 3dl4 h VAL 401 N 0.55 0.73 -0.14 0.00 2.07 -0.91 0.69 116.25 119.24 3dl4 h VAL 401 Ca 0.15 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 3dl4 h VAL 401 Cb 0.03 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3dl4 h VAL 401 CO -0.03 0.03 -0.24 0.58 0.02 0.00 0.00 177.57 177.93 3dl4 h VAL 402 N 0.17 1.36 -0.20 2.57 2.07 -1.22 -1.15 116.25 119.85 3dl4 h VAL 402 Ca 0.21 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 3dl4 h VAL 402 Cb 0.29 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3dl4 h VAL 402 CO -0.31 0.44 0.12 1.23 0.02 0.00 0.00 177.57 179.07 3dl4 h GLY 403 N 0.02 0.30 0.68 2.17 0.00 -0.92 -2.44 103.07 102.88 3dl4 h GLY 403 Ca 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3dl4 h GLY 403 CO 0.05 0.12 -0.01 -0.55 0.00 0.00 0.00 176.54 176.16 3dl4 h ASP 404 N 0.25 0.08 -0.99 0.19 3.32 0.43 -1.44 116.42 118.26 3dl4 h ASP 404 Ca 0.07 -0.35 0.03 0.00 0.02 0.00 0.00 57.03 56.81 3dl4 h ASP 404 Cb 0.02 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 3dl4 h ASP 404 CO -0.01 0.41 0.65 -0.74 -1.72 0.00 0.00 179.24 177.83 3dl4 h HIS 405 N -0.26 1.22 0.00 4.55 2.76 -1.24 -0.61 115.15 121.58 3dl4 h HIS 405 Ca 0.01 0.03 -0.27 0.00 -2.20 0.00 0.00 60.37 57.94 3dl4 h HIS 405 Cb 0.37 -0.41 -0.05 0.00 1.55 0.00 0.00 27.41 28.88 3dl4 h HIS 405 CO 0.05 0.72 -2.09 0.09 -1.30 0.00 0.00 177.93 175.39 3dl4 n ASN 406 N -4.43 0.24 0.05 3.26 3.02 -0.92 -4.52 115.26 111.96 3dl4 n ASN 406 Ca 0.13 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 3dl4 n ASN 406 Cb 0.08 0.91 0.00 0.00 -0.61 0.00 0.00 39.78 40.16 3dl4 n ASN 406 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3dl4 n VAL 407 N -2.72 0.30 -0.24 2.41 0.31 -0.62 -4.72 118.33 113.05 3dl4 n VAL 407 Ca -0.22 0.10 -0.04 0.00 -0.01 0.00 0.00 64.34 64.16 3dl4 n VAL 407 Cb 1.00 -0.76 0.07 0.00 -0.91 0.00 0.00 33.84 33.23 3dl4 n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3dl4 h VAL 408 N 0.00 1.11 -0.01 2.52 2.07 -1.36 0.69 116.25 121.26 3dl4 h VAL 408 Ca 0.00 -0.29 -0.21 0.00 0.82 0.00 0.00 66.70 67.02 3dl4 h VAL 408 Cb 0.00 0.20 0.02 0.00 -1.52 0.00 0.00 31.29 29.98 3dl4 h VAL 408 CO 0.00 0.15 -0.82 0.00 0.02 0.00 0.00 177.57 176.93 3dl4 h PRO 410 N 0.17 0.52 -0.22 0.00 0.11 -1.70 0.67 132.00 131.56 3dl4 h PRO 410 Ca -0.10 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 3dl4 h PRO 410 Cb 1.49 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.48 3dl4 h PRO 410 CO 0.16 0.35 0.08 0.28 -0.21 0.00 0.00 178.00 178.66 3dl4 h VAL 411 N 0.54 1.17 -0.12 3.15 2.07 -0.76 0.39 116.25 122.70 3dl4 h VAL 411 Ca 0.46 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3dl4 h VAL 411 Cb 0.68 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3dl4 h VAL 411 CO -0.39 0.17 0.04 0.00 0.02 0.00 0.00 177.57 177.41 3dl4 h ALA 412 N 0.92 0.13 -0.49 1.67 0.00 -0.80 0.24 119.26 120.92 3dl4 h ALA 412 Ca 0.07 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3dl4 h ALA 412 Cb 0.19 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 3dl4 h ALA 412 CO -0.00 -0.41 -0.06 0.37 0.00 0.00 0.00 179.25 179.14 3dl4 h GLN 413 N 0.10 0.05 0.06 0.00 4.15 -0.73 -0.03 115.11 118.72 3dl4 h GLN 413 Ca 0.05 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 3dl4 h GLN 413 Cb 0.03 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3dl4 h GLN 413 CO -0.05 0.04 -0.03 1.25 -1.93 0.00 0.00 178.83 178.10 3dl4 h LEU 414 N 0.06 -0.07 -0.38 -2.39 5.85 -0.44 -1.14 115.31 116.80 3dl4 h LEU 414 Ca 0.24 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.94 3dl4 h LEU 414 Cb 0.37 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3dl4 h LEU 414 CO -0.46 0.04 0.06 0.00 -0.34 0.00 0.00 178.44 177.74 3dl4 h ALA 415 N 0.77 0.40 0.23 1.25 0.00 -0.07 -0.81 119.26 121.01 3dl4 h ALA 415 Ca -0.01 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3dl4 h ALA 415 Cb 0.14 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3dl4 h ALA 415 CO 0.01 -0.34 -0.43 0.78 0.00 0.00 0.00 179.25 179.28 3dl4 h GLY 416 N 0.18 -0.93 0.95 0.00 0.00 -1.00 -0.93 103.07 101.35 3dl4 h GLY 416 Ca 0.18 0.51 -0.01 0.00 0.00 0.00 0.00 47.33 48.01 3dl4 h GLY 416 CO -0.25 -0.29 0.15 3.21 0.00 0.00 0.00 176.54 179.36 3dl4 h ARG 417 N -0.73 0.39 0.10 4.80 2.47 -0.88 -1.77 114.38 118.75 3dl4 h ARG 417 Ca -0.00 -0.05 0.02 0.00 -1.26 0.00 0.00 59.98 58.69 3dl4 h ARG 417 Cb 0.72 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.92 3dl4 h ARG 417 CO -0.18 0.35 -0.26 -0.07 0.56 0.00 0.00 179.97 180.36 3dl4 h LEU 418 N 0.33 -0.76 -0.76 3.04 4.07 -1.20 -1.59 115.31 118.44 3dl4 h LEU 418 Ca 0.10 0.09 0.13 0.00 0.08 0.00 0.00 57.88 58.28 3dl4 h LEU 418 Cb 0.08 0.29 -0.09 0.00 1.08 0.00 0.00 40.66 42.02 3dl4 h LEU 418 CO -0.01 -0.35 0.35 0.00 -1.08 0.00 0.00 178.44 177.34 3dl4 h ALA 419 N 0.28 1.09 0.00 1.53 0.00 -0.90 -1.01 119.26 120.24 3dl4 h ALA 419 Ca 0.04 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3dl4 h ALA 419 Cb 0.50 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3dl4 h ALA 419 CO -0.17 -0.13 -0.16 0.00 0.00 0.00 0.00 179.25 178.79 3dl4 h ALA 420 N 1.51 1.08 -0.51 0.00 0.00 -1.05 -2.69 119.26 117.60 3dl4 h ALA 420 Ca 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3dl4 h ALA 420 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3dl4 h ALA 420 CO -0.35 0.20 0.00 1.04 0.00 0.00 0.00 179.25 180.14 3dl4 n GLN 421 N -3.39 3.38 -1.18 0.00 3.00 -0.41 -4.93 117.38 113.85 3dl4 n GLN 421 Ca -0.00 -2.34 0.00 0.00 -0.01 0.00 0.00 57.00 54.64 3dl4 n GLN 421 Cb 0.36 -1.84 0.00 0.00 0.00 0.00 0.00 30.24 28.76 3dl4 n GLN 421 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dl4 n GLY 422 N 0.89 1.06 3.69 1.08 0.00 -1.01 -1.70 105.19 109.20 3dl4 n GLY 422 Ca 0.21 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 3dl4 n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dl4 s ALA 423 N -2.25 3.26 -0.23 4.61 0.00 -1.04 -3.21 121.76 122.90 3dl4 s ALA 423 Ca 0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 51.96 50.36 3dl4 s ALA 423 Cb 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 3dl4 s ALA 423 CO 0.00 0.39 0.38 0.50 0.00 0.00 0.00 175.76 177.03 3dl4 s ARG 424 N -3.29 4.11 -0.07 0.00 3.52 0.36 -4.48 118.95 119.10 3dl4 s ARG 424 Ca 0.30 0.12 0.04 0.00 -0.13 0.00 0.00 55.73 56.06 3dl4 s ARG 424 Cb -0.08 -3.59 -0.00 0.00 -1.56 0.00 0.00 34.95 29.72 3dl4 s ARG 424 CO 0.20 -0.13 -0.22 0.08 -0.81 0.00 0.00 175.30 174.42 3dl4 s VAL 425 N 1.62 1.82 -0.00 7.11 1.01 -1.26 -0.23 120.40 130.47 3dl4 s VAL 425 Ca 0.17 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.30 3dl4 s VAL 425 Cb -0.15 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3dl4 s VAL 425 CO 0.08 0.51 -0.16 -0.31 0.00 0.00 0.00 175.10 175.22 3dl4 s TYR 426 N 0.17 2.63 0.04 5.22 1.51 0.07 0.18 117.35 127.17 3dl4 s TYR 426 Ca -0.11 -0.21 0.05 0.00 -1.01 0.00 0.00 57.07 55.79 3dl4 s TYR 426 Cb -0.15 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.13 3dl4 s TYR 426 CO 0.05 0.22 -0.14 0.00 -1.11 0.00 0.00 175.55 174.57 3dl4 s ALA 427 N -0.84 1.18 0.08 3.71 0.00 -1.26 -0.74 121.76 123.90 3dl4 s ALA 427 Ca 0.13 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.22 3dl4 s ALA 427 Cb -0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 3dl4 s ALA 427 CO 0.03 0.22 0.08 1.52 0.00 0.00 0.00 175.76 177.62 3dl4 s TYR 428 N -0.85 0.43 -0.10 0.00 -0.85 -0.61 -1.38 117.35 114.00 3dl4 s TYR 428 Ca 0.02 -0.90 0.02 0.00 -0.52 0.00 0.00 57.07 55.69 3dl4 s TYR 428 Cb -0.08 -0.26 0.01 0.00 0.38 0.00 0.00 41.96 42.01 3dl4 s TYR 428 CO 0.01 -0.48 -0.16 -1.50 -1.52 0.00 0.00 175.55 171.90 3dl4 s ILE 429 N -3.92 1.48 -0.21 -3.49 2.07 -0.53 -2.11 121.20 114.48 3dl4 s ILE 429 Ca 0.09 -0.65 -0.18 0.00 -1.41 0.00 0.00 60.65 58.50 3dl4 s ILE 429 Cb 0.06 -1.34 -0.03 0.00 0.13 0.00 0.00 42.46 41.29 3dl4 s ILE 429 CO -0.08 0.43 0.53 0.12 -1.91 0.00 0.00 174.94 174.03 3dl4 s PHE 430 N 0.81 3.35 0.00 3.50 2.19 0.12 -1.30 117.98 126.65 3dl4 s PHE 430 Ca -0.11 0.76 0.00 0.00 0.33 0.00 0.00 56.93 57.91 3dl4 s PHE 430 Cb -0.16 -2.69 0.00 0.00 -1.31 0.00 0.00 43.02 38.87 3dl4 s PHE 430 CO 0.01 -0.14 0.86 0.39 1.83 0.00 0.00 175.22 178.17 3dl4 n GLU 431 N 4.96 1.97 -3.45 10.12 1.02 0.12 -1.32 120.64 134.06 3dl4 n GLU 431 Ca -0.04 -1.22 -0.38 0.00 -0.02 0.00 0.00 57.16 55.50 3dl4 n GLU 431 Cb 0.50 -0.97 -0.08 0.00 -0.02 0.00 0.00 31.44 30.87 3dl4 n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3dl4 s HIS 432 N -0.73 3.39 -0.20 -0.32 2.46 -1.23 -4.94 115.29 113.72 3dl4 s HIS 432 Ca 0.00 0.57 -0.21 0.00 0.47 0.00 0.00 55.06 55.89 3dl4 s HIS 432 Cb 0.00 -2.46 -0.02 0.00 -0.13 0.00 0.00 32.58 29.97 3dl4 s HIS 432 CO 0.00 0.06 0.65 0.50 -2.47 0.00 0.00 174.74 173.47 3dl4 s ARG 433 N 1.09 4.20 0.36 2.88 3.52 -1.26 -4.90 118.95 124.85 3dl4 s ARG 433 Ca 0.17 0.64 -0.27 0.00 -0.13 0.00 0.00 55.73 56.15 3dl4 s ARG 433 Cb -0.14 -3.59 -0.12 0.00 -1.56 0.00 0.00 34.95 29.54 3dl4 s ARG 433 CO 0.07 -0.28 1.14 0.00 -0.81 0.00 0.00 175.30 175.42 3dl4 n ALA 434 N 5.18 0.63 0.28 6.12 0.00 -1.26 -4.84 120.51 126.61 3dl4 n ALA 434 Ca -0.01 0.32 0.16 0.00 0.00 0.00 0.00 53.44 53.91 3dl4 n ALA 434 Cb 0.49 -2.15 0.77 0.00 0.00 0.00 0.00 19.45 18.57 3dl4 n ALA 434 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dl4 h SER 435 N 2.06 0.00 0.11 0.00 4.64 -1.95 -2.75 113.55 115.66 3dl4 h SER 435 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3dl4 h SER 435 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3dl4 h SER 435 CO 0.60 0.06 -0.74 0.35 -0.87 0.00 0.00 176.83 176.23 3dl4 n THR 436 N -3.27 0.00 -1.53 2.95 -2.24 -1.26 -5.01 114.28 103.91 3dl4 n THR 436 Ca -0.01 -0.06 -0.47 0.00 -2.27 0.00 0.00 64.05 61.24 3dl4 n THR 436 Cb 0.26 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.33 3dl4 n THR 436 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3dl4 n LEU 437 N -1.12 0.84 -0.06 3.22 7.94 -1.04 -4.91 117.00 121.86 3dl4 n LEU 437 Ca 0.06 1.16 0.08 0.00 -1.11 0.00 0.00 56.01 56.20 3dl4 n LEU 437 Cb 0.36 -1.17 -0.08 0.00 0.53 0.00 0.00 43.42 43.06 3dl4 n LEU 437 CO 0.37 -1.84 0.01 0.35 -1.11 0.00 0.00 177.39 175.18 3dl4 n THR 438 N 0.46 0.00 -1.88 1.96 -2.24 -1.26 -4.95 114.28 106.37 3dl4 n THR 438 Ca 0.13 -0.14 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 3dl4 n THR 438 Cb 0.28 1.03 0.03 0.00 -2.10 0.00 0.00 70.33 69.57 3dl4 n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3dl4 s TRP 439 N -2.50 2.82 0.86 4.78 0.52 -1.26 -4.92 118.94 119.23 3dl4 s TRP 439 Ca 0.08 1.53 -0.10 0.00 0.02 0.00 0.00 56.10 57.62 3dl4 s TRP 439 Cb 0.13 -3.08 0.11 0.00 -1.15 0.00 0.00 33.47 29.48 3dl4 s TRP 439 CO 0.65 -1.40 1.12 -1.25 0.02 0.00 0.00 176.95 176.10 3dl4 s PRO 440 N -4.13 1.49 0.50 4.98 0.04 -1.26 -4.87 135.00 131.74 3dl4 s PRO 440 Ca 0.65 1.36 0.31 0.00 0.04 0.00 0.00 61.00 63.36 3dl4 s PRO 440 Cb -0.18 -1.80 1.41 0.00 0.04 0.00 0.00 34.50 33.98 3dl4 s PRO 440 CO 0.40 -2.24 1.80 -0.07 0.04 0.00 0.00 177.00 176.93 3dl4 h LEU 441 N -1.58 0.14 -1.25 -3.56 3.38 -1.94 -2.74 115.31 107.77 3dl4 h LEU 441 Ca -0.44 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3dl4 h LEU 441 Cb 1.25 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 3dl4 h LEU 441 CO 0.46 0.02 -0.10 4.11 0.09 0.00 0.00 178.44 183.02 3dl4 h TRP 442 N 0.12 0.00 0.00 1.13 5.08 -1.94 -2.13 115.95 118.21 3dl4 h TRP 442 Ca 0.57 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.54 3dl4 h TRP 442 Cb 2.01 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.17 3dl4 h TRP 442 CO -0.00 0.10 0.00 -1.33 -1.28 0.00 0.00 178.44 175.93 3dl4 n MET 443 N -3.24 0.03 0.00 0.12 2.81 -1.03 -4.97 117.12 110.85 3dl4 n MET 443 Ca 0.00 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 3dl4 n MET 443 Cb 0.37 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 3dl4 n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dl4 n GLY 444 N 1.43 3.87 3.16 3.03 0.00 -0.80 -3.79 105.19 112.09 3dl4 n GLY 444 Ca 0.07 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3dl4 n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dl4 s VAL 445 N 0.00 3.93 0.82 1.61 1.01 -1.26 -4.89 120.40 121.61 3dl4 s VAL 445 Ca 0.00 -2.30 -0.12 0.00 0.00 0.00 0.00 61.98 59.56 3dl4 s VAL 445 Cb 0.00 -3.58 0.08 0.00 0.00 0.00 0.00 36.38 32.88 3dl4 s VAL 445 CO 0.00 -0.81 1.10 -2.84 0.00 0.00 0.00 175.10 172.55 3dl4 s PRO 446 N 0.73 1.90 0.49 2.72 0.02 -1.25 -0.74 135.00 138.88 3dl4 s PRO 446 Ca 0.11 0.63 -0.22 0.00 0.02 0.00 0.00 61.00 61.54 3dl4 s PRO 446 Cb -0.22 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.34 3dl4 s PRO 446 CO -0.03 -1.75 1.22 -3.38 -0.33 0.00 0.00 177.00 172.73 3dl4 s HIS 447 N -3.14 2.67 0.00 6.54 -3.43 -1.25 -2.91 115.29 113.78 3dl4 s HIS 447 Ca 0.61 1.49 0.00 0.00 -0.80 0.00 0.00 55.06 56.36 3dl4 s HIS 447 Cb -0.15 -3.50 0.00 0.00 -1.43 0.00 0.00 32.58 27.50 3dl4 s HIS 447 CO 0.54 -1.94 0.00 0.41 -2.00 0.00 0.00 174.74 171.75 3dl4 n GLY 448 N 0.52 3.02 0.53 -1.38 0.00 -1.26 -4.91 105.19 101.71 3dl4 n GLY 448 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 3dl4 n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dl4 n TYR 449 N -2.00 0.23 0.06 1.61 4.02 -1.14 -2.52 117.16 117.41 3dl4 n TYR 449 Ca 0.00 -0.11 -0.02 0.00 -0.01 0.00 0.00 57.90 57.76 3dl4 n TYR 449 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.26 3dl4 n TYR 449 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 3dl4 h GLU 450 N 2.07 0.00 -0.03 -0.72 9.09 -1.90 -3.42 114.58 119.67 3dl4 h GLU 450 Ca 0.00 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.44 3dl4 h GLU 450 Cb 0.46 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.52 3dl4 h GLU 450 CO 0.00 0.50 -0.19 0.82 0.05 0.00 0.00 179.01 180.19 3dl4 h ILE 451 N 0.00 0.55 -0.28 -1.06 2.04 -1.88 -0.43 117.51 116.44 3dl4 h ILE 451 Ca -0.10 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.84 3dl4 h ILE 451 Cb 1.61 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 3dl4 h ILE 451 CO 0.07 0.00 0.26 1.05 0.00 0.00 0.00 178.15 179.53 3dl4 h GLU 452 N -0.29 0.00 0.03 2.37 4.11 -1.79 -1.60 114.58 117.41 3dl4 h GLU 452 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 3dl4 h GLU 452 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3dl4 h GLU 452 CO -0.20 0.00 -0.01 0.74 0.07 0.00 0.00 179.01 179.61 3dl4 h PHE 453 N 0.00 -0.04 -0.99 2.06 0.04 -1.35 0.39 116.94 117.05 3dl4 h PHE 453 Ca 0.13 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.04 3dl4 h PHE 453 Cb 0.65 0.01 -0.09 0.00 2.20 0.00 0.00 35.95 38.72 3dl4 h PHE 453 CO 0.00 0.55 0.61 0.82 -0.60 0.00 0.00 178.31 179.69 3dl4 h ILE 454 N -0.65 0.85 -0.00 -0.55 1.08 -1.06 0.84 117.51 118.01 3dl4 h ILE 454 Ca -0.00 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 3dl4 h ILE 454 Cb 0.60 -0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.22 3dl4 h ILE 454 CO 0.01 0.17 -0.08 0.49 -0.69 0.00 0.00 178.15 178.04 3dl4 n PHE 455 N -4.68 0.00 -2.16 1.37 3.01 -0.66 -4.37 117.46 109.97 3dl4 n PHE 455 Ca 0.20 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.59 3dl4 n PHE 455 Cb 0.41 -0.18 -0.00 0.00 -0.01 0.00 0.00 39.48 39.71 3dl4 n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dl4 n GLY 456 N 1.25 0.12 0.33 1.37 0.00 0.29 -4.20 105.19 104.35 3dl4 n GLY 456 Ca 0.15 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.64 3dl4 n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dl4 h LEU 457 N -0.04 0.48 0.00 0.99 4.07 -1.15 -2.32 115.31 117.34 3dl4 h LEU 457 Ca -0.16 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.80 3dl4 h LEU 457 Cb 1.12 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.75 3dl4 h LEU 457 CO 0.18 0.33 0.00 -2.65 -1.08 0.00 0.00 178.44 175.22 3dl4 n PRO 458 N -4.47 0.00 0.00 1.13 -0.02 -1.26 -1.34 135.00 129.03 3dl4 n PRO 458 Ca 0.06 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.15 3dl4 n PRO 458 Cb 0.16 -1.50 0.61 0.00 -0.02 0.00 0.00 33.50 32.75 3dl4 n PRO 458 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3dl4 n LEU 459 N -1.49 0.00 -4.50 2.45 4.32 -0.87 -4.57 117.00 112.33 3dl4 n LEU 459 Ca 0.00 0.29 -0.43 0.00 -0.02 0.00 0.00 56.01 55.85 3dl4 n LEU 459 Cb 0.00 -0.29 -0.06 0.00 -1.62 0.00 0.00 43.42 41.45 3dl4 n LEU 459 CO 0.00 -0.06 0.44 -0.62 -1.22 0.00 0.00 177.39 175.93 3dl4 s ASP 460 N -2.58 6.31 0.59 -1.43 -1.08 -0.45 -4.74 116.67 113.29 3dl4 s ASP 460 Ca 0.23 -0.45 0.35 0.00 -0.52 0.00 0.00 52.55 52.15 3dl4 s ASP 460 Cb 0.16 -2.34 1.86 0.00 -1.46 0.00 0.00 42.92 41.15 3dl4 s ASP 460 CO 0.37 -0.88 2.21 1.55 0.52 0.00 0.00 175.17 178.94 3dl4 h PRO 461 N 8.98 0.00 0.00 4.34 0.13 -1.89 0.45 132.00 144.01 3dl4 h PRO 461 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3dl4 h PRO 461 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3dl4 h PRO 461 CO 0.94 0.04 0.00 -1.13 -0.23 0.00 0.00 178.00 177.62 3dl4 n SER 462 N -3.43 0.00 -0.60 1.44 3.41 -1.26 -4.00 113.62 109.18 3dl4 n SER 462 Ca -0.02 -1.19 0.07 0.00 -0.26 0.00 0.00 58.87 57.47 3dl4 n SER 462 Cb 0.16 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.19 3dl4 n SER 462 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dl4 n LEU 463 N -0.51 2.35 0.00 1.04 4.77 0.15 -5.00 117.00 119.79 3dl4 n LEU 463 Ca 0.00 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 3dl4 n LEU 463 Cb 0.00 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3dl4 n LEU 463 CO 0.00 0.48 0.00 0.59 -1.33 0.00 0.00 177.39 177.13 3dl4 n ASN 464 N 0.76 -2.49 -4.77 -1.43 4.13 -1.26 -5.01 115.26 105.19 3dl4 n ASN 464 Ca 0.09 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 56.02 3dl4 n ASN 464 Cb 0.37 -0.88 0.03 0.00 -1.54 0.00 0.00 39.78 37.76 3dl4 n ASN 464 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3dl4 s TYR 465 N -2.30 2.65 0.74 3.10 2.02 -1.26 -4.87 117.35 117.42 3dl4 s TYR 465 Ca 0.00 1.55 -0.11 0.00 -0.37 0.00 0.00 57.07 58.14 3dl4 s TYR 465 Cb 0.00 -3.19 0.03 0.00 -0.40 0.00 0.00 41.96 38.40 3dl4 s TYR 465 CO 0.00 -1.64 1.07 0.95 -1.57 0.00 0.00 175.55 174.37 3dl4 s THR 466 N -2.20 3.67 0.28 -0.71 -4.23 -1.26 -4.86 115.64 106.32 3dl4 s THR 466 Ca 0.68 0.54 -0.02 0.00 -1.18 0.00 0.00 61.69 61.71 3dl4 s THR 466 Cb -0.21 -3.19 0.27 0.00 1.34 0.00 0.00 72.50 70.71 3dl4 s THR 466 CO 0.38 -0.71 1.90 0.74 -0.54 0.00 0.00 174.62 176.39 3dl4 h THR 467 N -0.92 1.11 -0.27 3.99 2.02 -1.98 -0.48 112.91 116.39 3dl4 h THR 467 Ca -0.44 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 66.26 3dl4 h THR 467 Cb 1.22 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3dl4 h THR 467 CO 0.55 0.21 -0.17 -0.33 0.37 0.00 0.00 175.52 176.15 3dl4 h GLU 468 N 1.16 0.48 -0.48 6.66 3.07 -2.00 -2.27 114.58 121.20 3dl4 h GLU 468 Ca 0.41 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 59.05 3dl4 h GLU 468 Cb 0.12 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 3dl4 h GLU 468 CO -0.15 0.64 0.05 0.93 -1.40 0.00 0.00 179.01 179.08 3dl4 h GLU 469 N 0.44 0.77 -0.62 2.33 5.08 -1.61 0.87 114.58 121.84 3dl4 h GLU 469 Ca 0.08 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3dl4 h GLU 469 Cb 0.55 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3dl4 h GLU 469 CO 0.04 0.75 0.25 -0.09 -1.00 0.00 0.00 179.01 178.96 3dl4 h ARG 470 N 0.73 0.89 0.08 2.33 2.43 -0.66 -0.95 114.38 119.24 3dl4 h ARG 470 Ca 0.15 -0.14 -0.29 0.00 -0.81 0.00 0.00 59.98 58.90 3dl4 h ARG 470 Cb 0.38 -0.16 0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3dl4 h ARG 470 CO 0.01 0.73 -1.18 0.82 -1.51 0.00 0.00 179.97 178.84 3dl4 h ILE 471 N 0.88 1.30 -0.62 1.20 2.04 -1.04 -2.99 117.51 118.28 3dl4 h ILE 471 Ca 0.21 -2.44 0.02 0.00 1.00 0.00 0.00 64.86 63.65 3dl4 h ILE 471 Cb 0.16 2.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.81 3dl4 h ILE 471 CO -0.02 0.74 0.39 0.15 0.00 0.00 0.00 178.15 179.41 3dl4 h PHE 472 N 0.29 0.73 -0.32 1.37 3.57 -0.76 -0.89 116.94 120.93 3dl4 h PHE 472 Ca -0.16 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.36 3dl4 h PHE 472 Cb 1.84 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 40.32 3dl4 h PHE 472 CO 0.10 0.43 0.20 0.00 -2.23 0.00 0.00 178.31 176.81 3dl4 h ALA 473 N 1.26 0.41 -0.73 2.41 0.00 -1.17 -1.29 119.26 120.15 3dl4 h ALA 473 Ca 0.25 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.22 3dl4 h ALA 473 Cb -0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 3dl4 h ALA 473 CO -0.09 -0.15 0.40 1.96 0.00 0.00 0.00 179.25 181.37 3dl4 h GLN 474 N 0.41 0.69 -0.14 0.00 4.20 -1.35 0.30 115.11 119.22 3dl4 h GLN 474 Ca 0.12 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.83 3dl4 h GLN 474 Cb -0.02 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 3dl4 h GLN 474 CO -0.04 0.46 -0.08 0.00 -0.67 0.00 0.00 178.83 178.49 3dl4 h ARG 475 N 0.71 -0.07 -0.71 1.46 3.08 -0.10 -1.44 114.38 117.30 3dl4 h ARG 475 Ca 0.34 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.34 3dl4 h ARG 475 Cb 0.27 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3dl4 h ARG 475 CO -0.22 -0.05 0.21 -0.07 -1.07 0.00 0.00 179.97 178.77 3dl4 h LEU 476 N -0.07 1.04 -1.35 3.04 3.38 -0.78 -0.84 115.31 119.72 3dl4 h LEU 476 Ca 0.08 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3dl4 h LEU 476 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3dl4 h LEU 476 CO -0.18 0.97 -0.17 0.24 0.09 0.00 0.00 178.44 179.38 3dl4 h MET 477 N 1.06 0.22 -0.31 1.13 2.86 -0.72 -1.16 114.93 118.01 3dl4 h MET 477 Ca 0.23 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.70 3dl4 h MET 477 Cb 0.31 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3dl4 h MET 477 CO -0.01 0.40 -0.24 0.87 1.06 0.00 0.00 176.91 178.98 3dl4 h LYS 478 N 0.20 0.71 0.07 1.72 1.79 -0.45 -1.81 116.57 118.80 3dl4 h LYS 478 Ca 0.04 -0.35 -0.00 0.00 -2.18 0.00 0.00 60.65 58.15 3dl4 h LYS 478 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 3dl4 h LYS 478 CO 0.03 0.96 -0.03 1.88 -1.08 0.00 0.00 179.45 181.21 3dl4 h TYR 479 N 0.46 -0.08 0.25 -1.35 0.05 -0.47 0.85 116.97 116.69 3dl4 h TYR 479 Ca 0.06 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 3dl4 h TYR 479 Cb 0.80 0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.57 3dl4 h TYR 479 CO 0.07 -0.03 -0.12 -1.49 -1.05 0.00 0.00 178.16 175.54 3dl4 h TRP 480 N -0.12 -0.31 0.00 4.88 -0.00 -1.25 0.17 115.95 119.32 3dl4 h TRP 480 Ca -0.01 -0.01 -0.12 0.00 -0.00 0.00 0.00 58.89 58.76 3dl4 h TRP 480 Cb 0.10 0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 29.34 3dl4 h TRP 480 CO -0.07 -0.17 -0.55 1.79 -0.00 0.00 0.00 178.44 179.45 3dl4 h THR 481 N -0.37 1.31 -0.44 1.49 1.35 -1.36 0.95 112.91 115.84 3dl4 h THR 481 Ca -0.03 -1.94 -0.02 0.00 -0.55 0.00 0.00 66.41 63.87 3dl4 h THR 481 Cb 0.28 2.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 3dl4 h THR 481 CO 0.06 0.54 0.20 0.78 -0.25 0.00 0.00 175.52 176.85 3dl4 h ASN 482 N 0.00 0.59 -0.23 5.36 2.35 -0.63 0.20 115.58 123.21 3dl4 h ASN 482 Ca -0.01 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 3dl4 h ASN 482 Cb 1.02 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 3dl4 h ASN 482 CO 0.07 0.56 0.12 0.15 -1.65 0.00 0.00 177.43 176.69 3dl4 h PHE 483 N 0.57 0.23 -0.88 1.19 3.57 -0.01 -0.28 116.94 121.34 3dl4 h PHE 483 Ca 0.15 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3dl4 h PHE 483 Cb 0.14 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 3dl4 h PHE 483 CO -0.01 0.13 0.56 0.00 -2.23 0.00 0.00 178.31 176.77 3dl4 h ALA 484 N 1.11 1.11 0.05 2.41 0.00 -0.74 0.31 119.26 123.52 3dl4 h ALA 484 Ca 0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dl4 h ALA 484 Cb 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3dl4 h ALA 484 CO -0.06 0.54 -0.02 0.00 0.00 0.00 0.00 179.25 179.71 3dl4 h ARG 485 N 1.19 -0.07 0.00 0.00 3.08 -0.52 -3.41 114.38 114.65 3dl4 h ARG 485 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 3dl4 h ARG 485 Cb -0.11 0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3dl4 h ARG 485 CO -0.07 0.11 -0.45 0.25 -1.07 0.00 0.00 179.97 178.75 3dl4 n THR 486 N -5.04 0.00 -0.54 2.04 -2.24 -0.15 -5.00 114.28 103.35 3dl4 n THR 486 Ca -0.08 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3dl4 n THR 486 Cb 0.13 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 3dl4 n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dl4 n GLY 487 N 1.53 0.70 2.98 3.38 0.00 0.11 -5.04 105.19 108.86 3dl4 n GLY 487 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 3dl4 n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dl4 s ASP 488 N -2.22 0.33 0.00 1.61 -1.08 -1.25 -4.88 116.67 109.18 3dl4 s ASP 488 Ca 0.00 0.54 0.22 0.00 -0.52 0.00 0.00 52.55 52.79 3dl4 s ASP 488 Cb 0.00 0.59 0.93 0.00 -1.46 0.00 0.00 42.92 42.98 3dl4 s ASP 488 CO 0.00 -0.23 1.70 -0.81 0.52 0.00 0.00 175.17 176.35 3dl4 n PRO 489 N 5.19 0.00 -2.64 4.34 -0.04 -1.26 -3.05 135.00 137.54 3dl4 n PRO 489 Ca -0.09 0.13 -0.35 0.00 -0.04 0.00 0.00 63.50 63.15 3dl4 n PRO 489 Cb 0.50 -1.51 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 3dl4 n PRO 489 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3dl4 s ASN 490 N -3.02 6.78 -0.34 3.54 0.01 -1.26 -4.40 114.94 116.25 3dl4 s ASN 490 Ca 0.10 1.91 -0.28 0.00 -0.71 0.00 0.00 52.86 53.88 3dl4 s ASN 490 Cb 0.14 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.25 3dl4 s ASN 490 CO 0.40 -0.47 1.05 -0.62 -1.51 0.00 0.00 177.10 175.95 3dl4 s ASP 491 N -1.81 6.87 0.36 -1.22 2.15 -1.26 -4.93 116.67 116.83 3dl4 s ASP 491 Ca 0.60 0.94 0.07 0.00 0.43 0.00 0.00 52.55 54.58 3dl4 s ASP 491 Cb -0.17 -2.53 0.77 0.00 -0.30 0.00 0.00 42.92 40.68 3dl4 s ASP 491 CO 0.22 -0.90 1.95 1.55 -0.17 0.00 0.00 175.17 177.82 3dl4 h PRO 492 N 8.23 0.71 0.00 4.34 0.13 -1.95 -3.15 132.00 140.31 3dl4 h PRO 492 Ca -0.21 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3dl4 h PRO 492 Cb 1.06 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3dl4 h PRO 492 CO 1.03 0.47 0.00 0.54 -0.23 0.00 0.00 178.00 179.81 3dl4 n ARG 493 N -4.49 0.00 -0.37 0.86 3.00 -1.26 -4.70 116.66 109.69 3dl4 n ARG 493 Ca 0.12 0.06 0.00 0.00 -0.01 0.00 0.00 57.85 58.02 3dl4 n ARG 493 Cb 0.27 -0.56 0.00 0.00 0.00 0.00 0.00 32.46 32.18 3dl4 n ARG 493 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3dl4 n ASP 494 N -0.70 -0.17 0.00 0.55 -0.08 -1.19 -4.57 116.55 110.38 3dl4 n ASP 494 Ca 0.00 -0.29 0.14 0.00 -1.51 0.00 0.00 54.79 53.13 3dl4 n ASP 494 Cb 0.00 0.00 0.70 0.00 2.34 0.00 0.00 41.12 44.16 3dl4 n ASP 494 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3dl4 n SER 495 N 1.61 0.00 -0.00 1.67 3.41 -1.26 -3.53 113.62 115.51 3dl4 n SER 495 Ca 0.00 -0.04 -0.08 0.00 -0.26 0.00 0.00 58.87 58.50 3dl4 n SER 495 Cb 0.04 -0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 63.63 3dl4 n SER 495 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3dl4 h LYS 496 N 0.00 -0.28 -7.15 4.33 3.64 -1.95 -3.44 116.57 111.71 3dl4 h LYS 496 Ca 0.00 0.02 -0.55 0.00 -1.27 0.00 0.00 60.65 58.85 3dl4 h LYS 496 Cb 0.29 0.06 0.17 0.00 -0.41 0.00 0.00 32.23 32.35 3dl4 h LYS 496 CO 0.00 -0.19 0.44 -1.12 -2.27 0.00 0.00 179.45 176.31 3dl4 s SER 497 N -3.70 4.16 0.43 4.20 0.01 -1.23 -4.96 113.70 112.61 3dl4 s SER 497 Ca -0.08 2.51 -0.25 0.00 1.31 0.00 0.00 55.95 59.44 3dl4 s SER 497 Cb 0.04 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 3dl4 s SER 497 CO 0.30 -2.30 1.25 -2.84 0.41 0.00 0.00 173.24 170.06 3dl4 s PRO 498 N -3.72 3.87 0.24 12.44 0.02 -1.26 -4.98 135.00 141.61 3dl4 s PRO 498 Ca 0.78 2.01 -0.26 0.00 0.02 0.00 0.00 61.00 63.55 3dl4 s PRO 498 Cb -0.34 -2.62 -0.09 0.00 0.02 0.00 0.00 34.50 31.48 3dl4 s PRO 498 CO 0.44 -0.53 0.86 -0.65 -0.33 0.00 0.00 177.00 176.80 3dl4 s GLN 499 N -2.41 4.60 -0.38 5.54 -1.52 -1.26 -4.90 119.66 119.33 3dl4 s GLN 499 Ca 0.60 1.25 -0.24 0.00 -1.95 0.00 0.00 55.36 55.01 3dl4 s GLN 499 Cb -0.35 -3.07 0.01 0.00 -0.22 0.00 0.00 33.01 29.39 3dl4 s GLN 499 CO 0.43 0.45 0.84 -0.46 -0.25 0.00 0.00 175.29 176.30 3dl4 s TRP 500 N -1.35 3.07 0.44 0.91 -0.11 -1.26 -4.98 118.94 115.66 3dl4 s TRP 500 Ca 0.42 0.57 -0.08 0.00 1.22 0.00 0.00 56.10 58.24 3dl4 s TRP 500 Cb -0.22 -3.56 -0.05 0.00 -1.50 0.00 0.00 33.47 28.15 3dl4 s TRP 500 CO 0.26 -0.82 0.77 -1.25 -4.62 0.00 0.00 176.95 171.29 3dl4 s PRO 501 N 3.30 3.65 0.62 5.86 0.04 -1.26 -4.88 135.00 142.34 3dl4 s PRO 501 Ca 0.34 0.31 -0.19 0.00 0.04 0.00 0.00 61.00 61.50 3dl4 s PRO 501 Cb -0.12 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 3dl4 s PRO 501 CO 0.19 -0.11 1.27 -2.30 0.04 0.00 0.00 177.00 176.09 3dl4 n PRO 502 N -1.76 1.21 -2.63 0.56 -0.02 -1.26 -4.72 135.00 126.39 3dl4 n PRO 502 Ca 0.01 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 3dl4 n PRO 502 Cb 0.54 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 3dl4 n PRO 502 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3dl4 s TYR 503 N -1.38 3.65 0.07 6.00 6.14 0.13 -4.49 117.35 127.47 3dl4 s TYR 503 Ca 0.80 1.63 0.03 0.00 0.64 0.00 0.00 57.07 60.17 3dl4 s TYR 503 Cb -0.39 -3.18 -0.03 0.00 0.42 0.00 0.00 41.96 38.77 3dl4 s TYR 503 CO 0.43 -0.29 -0.09 0.95 0.64 0.00 0.00 175.55 177.19 3dl4 s THR 504 N 0.55 0.76 0.25 4.34 -4.23 -1.26 -4.44 115.64 111.61 3dl4 s THR 504 Ca 0.51 -1.41 -0.04 0.00 -1.18 0.00 0.00 61.69 59.58 3dl4 s THR 504 Cb -0.25 -1.06 0.14 0.00 1.34 0.00 0.00 72.50 72.67 3dl4 s THR 504 CO 0.30 -0.49 1.79 0.71 -0.54 0.00 0.00 174.62 176.38 3dl4 h THR 505 N 3.95 1.24 -0.49 3.99 1.35 -1.92 1.01 112.91 122.04 3dl4 h THR 505 Ca -0.37 -0.88 -0.02 0.00 -0.55 0.00 0.00 66.41 64.59 3dl4 h THR 505 Cb 1.19 0.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 3dl4 h THR 505 CO 0.48 0.33 0.24 0.00 -0.25 0.00 0.00 175.52 176.32 3dl4 h ALA 506 N 1.25 0.63 0.00 6.62 0.00 -2.01 -3.36 119.26 122.39 3dl4 h ALA 506 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dl4 h ALA 506 Cb 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3dl4 h ALA 506 CO -0.00 0.19 -0.71 0.00 0.00 0.00 0.00 179.25 178.72 3dl4 n ALA 507 N -2.30 2.64 -4.16 0.00 0.00 -1.13 -5.03 120.51 110.54 3dl4 n ALA 507 Ca 0.02 -0.18 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 3dl4 n ALA 507 Cb 0.11 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.26 3dl4 n ALA 507 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dl4 n GLN 508 N -1.39 -1.50 -3.29 0.00 6.02 0.35 -4.30 117.38 113.27 3dl4 n GLN 508 Ca 0.00 0.19 -0.35 0.00 -0.01 0.00 0.00 57.00 56.83 3dl4 n GLN 508 Cb 0.14 -3.72 -0.06 0.00 1.02 0.00 0.00 30.24 27.62 3dl4 n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3dl4 s GLN 509 N -7.11 4.03 0.17 -1.09 -0.21 -1.26 -0.32 119.66 113.87 3dl4 s GLN 509 Ca 0.09 0.57 -0.13 0.00 0.02 0.00 0.00 55.36 55.91 3dl4 s GLN 509 Cb -0.05 -2.87 0.01 0.00 1.00 0.00 0.00 33.01 31.10 3dl4 s GLN 509 CO 0.96 0.43 0.38 1.52 -2.12 0.00 0.00 175.29 176.46 3dl4 s TYR 510 N -1.53 0.13 0.24 0.91 1.13 -0.92 -3.76 117.35 113.55 3dl4 s TYR 510 Ca 0.40 -0.48 0.10 0.00 -1.41 0.00 0.00 57.07 55.68 3dl4 s TYR 510 Cb -0.15 0.15 -0.04 0.00 -1.10 0.00 0.00 41.96 40.81 3dl4 s TYR 510 CO 0.20 -0.78 -0.08 0.14 -2.51 0.00 0.00 175.55 172.52 3dl4 s VAL 511 N -3.91 3.15 -0.01 -3.49 -7.23 -0.48 -1.61 120.40 106.83 3dl4 s VAL 511 Ca 0.12 -1.93 -0.20 0.00 -1.81 0.00 0.00 61.98 58.17 3dl4 s VAL 511 Cb 0.02 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 3dl4 s VAL 511 CO -0.03 -0.29 0.56 -0.94 -0.31 0.00 0.00 175.10 174.10 3dl4 s SER 512 N -3.34 6.93 -0.34 4.85 1.04 -0.63 -1.46 113.70 120.75 3dl4 s SER 512 Ca 0.29 1.11 -0.06 0.00 0.48 0.00 0.00 55.95 57.76 3dl4 s SER 512 Cb -0.07 -2.34 0.04 0.00 0.10 0.00 0.00 66.02 63.75 3dl4 s SER 512 CO 0.17 0.12 0.11 -0.76 0.98 0.00 0.00 173.24 173.86 3dl4 s LEU 513 N -0.24 4.34 0.00 2.42 1.43 -0.42 -4.12 118.68 122.08 3dl4 s LEU 513 Ca 0.30 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 3dl4 s LEU 513 Cb -0.18 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.17 3dl4 s LEU 513 CO 0.16 -0.33 0.00 -0.46 0.23 0.00 0.00 176.35 175.95 3dl4 n ASN 514 N 4.81 0.00 0.17 2.29 0.23 -1.26 0.11 115.26 121.61 3dl4 n ASN 514 Ca -0.12 -0.28 0.05 0.00 -0.53 0.00 0.00 54.58 53.70 3dl4 n ASN 514 Cb 0.45 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.34 3dl4 n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3dl4 h LEU 515 N 0.00 0.00-10.23 -4.53 3.38 -1.95 -3.44 115.31 98.54 3dl4 h LEU 515 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3dl4 h LEU 515 Cb 0.00 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.83 3dl4 h LEU 515 CO 0.00 0.41 0.37 -0.54 0.09 0.00 0.00 178.44 178.77 3dl4 s LYS 516 N -3.27 3.11 0.84 1.13 1.02 -1.26 -5.01 119.74 116.30 3dl4 s LYS 516 Ca 0.02 1.19 -0.12 0.00 0.02 0.00 0.00 55.97 57.08 3dl4 s LYS 516 Cb 0.09 -2.00 0.10 0.00 -0.52 0.00 0.00 37.83 35.50 3dl4 s LYS 516 CO 0.71 -0.98 1.17 -2.14 -0.92 0.00 0.00 175.35 173.19 3dl4 s PRO 517 N -4.30 1.47 -0.21 -1.68 0.02 -1.26 -4.84 135.00 124.20 3dl4 s PRO 517 Ca 0.63 1.62 -0.40 0.00 0.02 0.00 0.00 61.00 62.87 3dl4 s PRO 517 Cb -0.16 -1.77 -0.17 0.00 0.02 0.00 0.00 34.50 32.42 3dl4 s PRO 517 CO 0.42 -2.31 1.59 1.28 -0.33 0.00 0.00 177.00 177.64 3dl4 n LEU 518 N -3.66 1.88 -4.50 -5.54 4.77 -1.26 -4.95 117.00 103.75 3dl4 n LEU 518 Ca 0.12 1.11 -0.31 0.00 -0.03 0.00 0.00 56.01 56.90 3dl4 n LEU 518 Cb 0.51 -1.10 -0.12 0.00 -2.33 0.00 0.00 43.42 40.39 3dl4 n LEU 518 CO 0.49 -0.73 -0.46 -0.70 -1.33 0.00 0.00 177.39 174.65 3dl4 s GLU 519 N 2.54 2.15 -0.18 3.23 2.12 -1.26 -4.82 118.70 122.47 3dl4 s GLU 519 Ca 0.96 -0.95 -0.06 0.00 0.36 0.00 0.00 54.97 55.28 3dl4 s GLU 519 Cb -1.12 -2.25 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 3dl4 s GLU 519 CO 0.63 0.54 0.02 0.08 -0.54 0.00 0.00 175.26 176.00 3dl4 s VAL 520 N -0.98 4.35 0.32 3.70 1.01 -1.26 -1.61 120.40 125.93 3dl4 s VAL 520 Ca 0.16 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.02 3dl4 s VAL 520 Cb -0.11 -2.95 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 3dl4 s VAL 520 CO 0.07 0.45 -0.04 -0.13 0.00 0.00 0.00 175.10 175.45 3dl4 s ARG 521 N 0.57 1.69 0.01 2.72 0.52 -0.63 -4.99 118.95 118.84 3dl4 s ARG 521 Ca 0.01 -1.89 0.06 0.00 -0.52 0.00 0.00 55.73 53.39 3dl4 s ARG 521 Cb -0.14 -1.33 -0.02 0.00 0.52 0.00 0.00 34.95 33.98 3dl4 s ARG 521 CO 0.02 0.02 -0.18 1.03 0.02 0.00 0.00 175.30 176.21 3dl4 s ARG 522 N -3.71 1.36 0.22 3.54 0.52 -1.26 -2.16 118.95 117.47 3dl4 s ARG 522 Ca 0.32 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 3dl4 s ARG 522 Cb 0.05 -1.37 0.00 0.00 0.52 0.00 0.00 34.95 34.15 3dl4 s ARG 522 CO 0.14 0.36 0.00 0.41 0.02 0.00 0.00 175.30 176.24 3dl4 n GLY 523 N 2.35 -4.42 3.27 -3.53 0.00 0.56 -4.89 105.19 98.53 3dl4 n GLY 523 Ca -0.16 -0.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.80 3dl4 n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dl4 s LEU 524 N -1.47 6.07 -1.43 0.99 2.96 -1.26 -4.42 118.68 120.12 3dl4 s LEU 524 Ca 0.00 -1.97 -0.10 0.00 -0.22 0.00 0.00 54.13 51.84 3dl4 s LEU 524 Cb 0.00 -2.14 0.01 0.00 0.50 0.00 0.00 46.19 44.57 3dl4 s LEU 524 CO 0.00 -0.76 0.26 0.54 -1.32 0.00 0.00 176.35 175.07 3dl4 n ARG 525 N 4.94 -1.01 -0.07 1.98 5.12 -1.26 -4.71 116.66 121.65 3dl4 n ARG 525 Ca -0.08 0.13 -0.09 0.00 -1.93 0.00 0.00 57.85 55.87 3dl4 n ARG 525 Cb 0.41 -3.40 -0.02 0.00 -1.16 0.00 0.00 32.46 28.28 3dl4 n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dl4 h ALA 526 N 1.04 0.34 0.20 7.54 0.00 -1.92 0.22 119.26 126.67 3dl4 h ALA 526 Ca -0.67 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 3dl4 h ALA 526 Cb 1.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3dl4 h ALA 526 CO 0.64 -0.20 -0.10 1.96 0.00 0.00 0.00 179.25 181.56 3dl4 h GLN 527 N 0.36 -0.26 -0.69 0.00 1.08 -1.97 -1.53 115.11 112.09 3dl4 h GLN 527 Ca 0.10 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 3dl4 h GLN 527 Cb -0.04 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 3dl4 h GLN 527 CO -0.02 -0.07 0.35 1.15 -0.95 0.00 0.00 178.83 179.29 3dl4 h THR 528 N -0.41 1.21 0.00 -0.54 2.02 -1.90 -2.12 112.91 111.17 3dl4 h THR 528 Ca -0.03 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.50 3dl4 h THR 528 Cb 0.32 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3dl4 h THR 528 CO 0.05 0.25 -0.36 0.00 0.37 0.00 0.00 175.52 175.83 3dl4 h ALA 530 N 1.64 1.62 0.81 0.00 0.00 -0.58 0.26 119.26 123.02 3dl4 h ALA 530 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3dl4 h ALA 530 Cb 0.94 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.51 3dl4 h ALA 530 CO 0.05 0.27 -0.39 0.35 0.00 0.00 0.00 179.25 179.52 3dl4 h PHE 531 N 0.86 -1.01 -0.61 0.00 3.57 -1.17 -0.82 116.94 117.75 3dl4 h PHE 531 Ca 0.33 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.71 3dl4 h PHE 531 Cb 0.19 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3dl4 h PHE 531 CO -0.00 -0.62 0.00 -1.49 -2.23 0.00 0.00 178.31 173.97 3dl4 h TRP 532 N -1.12 1.16 0.03 0.41 4.06 -1.21 -0.21 115.95 119.07 3dl4 h TRP 532 Ca -0.11 -0.20 -0.31 0.00 2.06 0.00 0.00 58.89 60.33 3dl4 h TRP 532 Cb 0.84 -0.30 -0.04 0.00 -1.00 0.00 0.00 29.16 28.66 3dl4 h TRP 532 CO -0.01 1.02 -1.77 0.09 -3.56 0.00 0.00 178.44 174.21 3dl4 n ASN 533 N -4.18 1.16 -0.08 -3.49 3.02 0.90 -4.21 115.26 108.39 3dl4 n ASN 533 Ca 0.03 0.38 -0.16 0.00 -0.03 0.00 0.00 54.58 54.80 3dl4 n ASN 533 Cb 0.35 -0.26 -0.05 0.00 -0.61 0.00 0.00 39.78 39.21 3dl4 n ASN 533 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3dl4 n ARG 534 N -3.15 0.36 0.03 3.52 1.74 -0.39 -4.74 116.66 114.03 3dl4 n ARG 534 Ca -0.20 0.16 -0.11 0.00 -0.77 0.00 0.00 57.85 56.92 3dl4 n ARG 534 Cb 1.05 -1.11 -0.09 0.00 -1.02 0.00 0.00 32.46 31.29 3dl4 n ARG 534 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3dl4 h PHE 535 N -0.62 -0.15 -0.82 -1.55 3.57 -1.18 -3.38 116.94 112.82 3dl4 h PHE 535 Ca -0.35 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.20 3dl4 h PHE 535 Cb 1.22 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.96 3dl4 h PHE 535 CO -0.10 0.34 0.54 1.25 -2.23 0.00 0.00 178.31 178.10 3dl4 h LEU 536 N -0.79 0.83 -0.57 0.59 7.12 -1.20 -0.51 115.31 120.77 3dl4 h LEU 536 Ca -0.02 -0.00 0.11 0.00 0.13 0.00 0.00 57.88 58.11 3dl4 h LEU 536 Cb 0.55 -0.18 -0.11 0.00 -0.53 0.00 0.00 40.66 40.39 3dl4 h LEU 536 CO 0.03 0.56 -0.17 -0.65 -0.13 0.00 0.00 178.44 178.08 3dl4 h PRO 537 N 0.96 -0.02 -0.80 5.25 0.11 -1.76 -2.34 132.00 133.40 3dl4 h PRO 537 Ca 0.34 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.41 3dl4 h PRO 537 Cb 0.13 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 3dl4 h PRO 537 CO -0.11 -0.02 0.32 0.87 -0.21 0.00 0.00 178.00 178.86 3dl4 h LYS 538 N -0.03 1.18 0.00 1.05 1.57 -1.26 0.58 116.57 119.67 3dl4 h LYS 538 Ca 0.27 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3dl4 h LYS 538 Cb 0.44 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3dl4 h LYS 538 CO -0.60 0.95 0.00 -0.11 -0.57 0.00 0.00 179.45 179.12 3dl4 n LEU 539 N -4.28 0.34 -2.18 2.94 7.94 -1.08 -0.56 117.00 120.12 3dl4 n LEU 539 Ca 0.07 0.63 -0.29 0.00 -1.11 0.00 0.00 56.01 55.31 3dl4 n LEU 539 Cb 0.18 -0.64 0.09 0.00 0.53 0.00 0.00 43.42 43.59 3dl4 n LEU 539 CO 0.41 -0.64 1.17 0.18 -1.11 0.00 0.00 177.39 177.39 3dl4 n LEU 540 N -1.93 6.87 -2.76 -1.96 4.32 0.19 -4.22 117.00 117.52 3dl4 n LEU 540 Ca 0.00 -4.23 -0.10 0.00 -0.02 0.00 0.00 56.01 51.66 3dl4 n LEU 540 Cb 0.08 -0.83 0.03 0.00 -1.62 0.00 0.00 43.42 41.08 3dl4 n LEU 540 CO 0.09 1.50 -0.04 -1.20 -1.22 0.00 0.00 177.39 176.52 3dl4 n SER 541 N -0.93 0.78 0.00 -1.43 7.64 0.28 -5.02 113.62 114.94 3dl4 n SER 541 Ca 0.57 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 57.69 3dl4 n SER 541 Cb 0.89 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 3dl4 n SER 541 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03