#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fyu s GLN 2 N 0.00 1.21 0.70 2.12 2.00 -1.26 -5.09 119.66 119.34 3fyu s GLN 2 Ca 0.00 -1.34 -0.16 0.00 -2.00 0.00 0.00 55.36 51.85 3fyu s GLN 2 Cb 0.00 0.35 0.00 0.00 0.80 0.00 0.00 33.01 34.16 3fyu s GLN 2 CO 0.00 -0.43 1.04 1.28 -0.50 0.00 0.00 175.29 176.68 3fyu n LEU 3 N -0.24 4.04 0.00 3.68 4.32 -1.26 -4.70 117.00 122.84 3fyu n LEU 3 Ca -0.04 0.71 0.00 0.00 -0.02 0.00 0.00 56.01 56.66 3fyu n LEU 3 Cb 0.64 -1.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.00 3fyu n LEU 3 CO 0.27 -1.82 0.00 2.22 -1.22 0.00 0.00 177.39 176.84 3fyu n PHE 4 N -2.37 0.00 -0.24 -1.77 -1.74 -1.26 -5.08 117.46 105.00 3fyu n PHE 4 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.03 3fyu n PHE 4 Cb 0.49 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.49 3fyu n PHE 4 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 3fyu n ASP 5 N -1.17 -0.06 -4.71 5.98 -0.08 -1.26 -4.99 116.55 110.26 3fyu n ASP 5 Ca 0.00 -0.24 -0.34 0.00 -1.51 0.00 0.00 54.79 52.70 3fyu n ASP 5 Cb 0.00 0.00 0.11 0.00 2.34 0.00 0.00 41.12 43.57 3fyu n ASP 5 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3fyu s LEU 6 N 0.00 3.23 0.83 -2.67 1.43 -1.26 -4.97 118.68 115.27 3fyu s LEU 6 Ca 0.00 2.38 -0.11 0.00 -1.03 0.00 0.00 54.13 55.36 3fyu s LEU 6 Cb 0.00 -4.59 0.10 0.00 0.03 0.00 0.00 46.19 41.73 3fyu s LEU 6 CO 0.00 -2.48 1.14 -0.94 0.23 0.00 0.00 176.35 174.30 3fyu s SER 7 N -2.08 3.69 0.29 2.29 1.04 -1.26 -4.67 113.70 113.01 3fyu s SER 7 Ca 0.74 2.10 -0.00 0.00 0.48 0.00 0.00 55.95 59.27 3fyu s SER 7 Cb -0.29 -2.56 0.50 0.00 0.10 0.00 0.00 66.02 63.77 3fyu s SER 7 CO 0.48 -2.59 1.91 0.25 0.98 0.00 0.00 173.24 174.27 3fyu h LEU 8 N -1.32 0.94 -0.82 2.42 5.85 -1.99 0.16 115.31 120.55 3fyu h LEU 8 Ca -0.44 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 3fyu h LEU 8 Cb 1.26 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 3fyu h LEU 8 CO 0.46 0.61 0.51 -0.08 -0.34 0.00 0.00 178.44 179.60 3fyu h GLU 9 N 1.06 1.10 -0.16 1.25 4.81 -2.01 -2.22 114.58 118.41 3fyu h GLU 9 Ca 0.39 -0.09 -0.21 0.00 -0.13 0.00 0.00 59.36 59.32 3fyu h GLU 9 Cb 0.17 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.33 3fyu h GLU 9 CO -0.15 0.76 -0.72 0.93 -0.73 0.00 0.00 179.01 179.11 3fyu h GLU 10 N 1.12 0.77 -0.73 1.92 5.08 -1.59 -3.27 114.58 117.87 3fyu h GLU 10 Ca 0.30 -0.62 0.10 0.00 -1.00 0.00 0.00 59.36 58.14 3fyu h GLU 10 Cb -0.07 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.23 3fyu h GLU 10 CO -0.06 1.23 0.36 -0.07 -1.00 0.00 0.00 179.01 179.46 3fyu h LEU 11 N 0.50 0.45 -2.32 1.33 3.38 -0.41 0.25 115.31 118.49 3fyu h LEU 11 Ca -0.04 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3fyu h LEU 11 Cb 1.35 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 3fyu h LEU 11 CO 0.15 0.24 -0.03 0.11 0.09 0.00 0.00 178.44 179.00 3fyu h LYS 12 N 0.59 0.00 -0.01 1.13 1.57 -1.46 -2.02 116.57 116.37 3fyu h LYS 12 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3fyu h LYS 12 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3fyu h LYS 12 CO -0.30 0.03 -0.60 1.63 -0.57 0.00 0.00 179.45 179.65 3fyu n LYS 13 N -3.81 1.13 -2.08 3.15 5.02 -0.18 -4.93 118.16 116.45 3fyu n LYS 13 Ca -0.03 -0.62 -0.43 0.00 -2.02 0.00 0.00 58.31 55.22 3fyu n LYS 13 Cb 0.12 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 3fyu n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3fyu s TYR 14 N -2.47 1.95 -0.40 2.13 5.04 -0.10 -4.91 117.35 118.59 3fyu s TYR 14 Ca 0.13 0.62 0.03 0.00 -2.44 0.00 0.00 57.07 55.42 3fyu s TYR 14 Cb 0.16 -4.17 0.16 0.00 0.35 0.00 0.00 41.96 38.46 3fyu s TYR 14 CO 0.61 -2.75 0.36 0.21 -1.34 0.00 0.00 175.55 172.65 3fyu s LYS 15 N 5.44 0.79 0.51 4.97 2.20 -1.26 -4.12 119.74 128.26 3fyu s LYS 15 Ca 0.75 -1.58 -0.22 0.00 -0.36 0.00 0.00 55.97 54.56 3fyu s LYS 15 Cb -0.21 -1.10 -0.06 0.00 -1.51 0.00 0.00 37.83 34.95 3fyu s LYS 15 CO 0.33 -1.31 1.30 -1.25 -0.36 0.00 0.00 175.35 174.07 3fyu s PRO 16 N 0.64 3.38 0.33 4.03 0.04 -1.26 -4.94 135.00 137.22 3fyu s PRO 16 Ca 0.26 2.10 -0.28 0.00 0.04 0.00 0.00 61.00 63.12 3fyu s PRO 16 Cb -0.06 -2.34 -0.12 0.00 0.04 0.00 0.00 34.50 32.02 3fyu s PRO 16 CO -0.10 -0.96 1.35 1.63 0.04 0.00 0.00 177.00 178.96 3fyu n LYS 17 N -0.79 2.23 -1.67 4.56 5.02 -1.26 -4.91 118.16 121.35 3fyu n LYS 17 Ca 0.09 0.79 -0.37 0.00 -2.02 0.00 0.00 58.31 56.80 3fyu n LYS 17 Cb 0.46 -2.41 0.07 0.00 -0.02 0.00 0.00 35.03 33.13 3fyu n LYS 17 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3fyu n LYS 18 N 0.79 1.01 -0.08 1.97 5.02 -1.26 -4.92 118.16 120.70 3fyu n LYS 18 Ca 0.05 0.40 0.04 0.00 -2.02 0.00 0.00 58.31 56.79 3fyu n LYS 18 Cb 0.36 -2.47 0.08 0.00 -0.02 0.00 0.00 35.03 32.98 3fyu n LYS 18 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3fyu n THR 19 N -1.99 0.56 -1.70 -0.18 -2.24 -1.26 -5.03 114.28 102.45 3fyu n THR 19 Ca 0.16 -0.78 -0.44 0.00 -2.27 0.00 0.00 64.05 60.71 3fyu n THR 19 Cb 0.48 0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 3fyu n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fyu n ALA 20 N 0.37 1.76 -1.75 6.98 0.00 -1.26 -4.86 120.51 121.74 3fyu n ALA 20 Ca 0.07 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.62 3fyu n ALA 20 Cb 0.31 -2.37 0.07 0.00 0.00 0.00 0.00 19.45 17.46 3fyu n ALA 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3fyu s ARG 21 N -0.03 2.47 0.63 0.00 3.00 -1.26 -4.93 118.95 118.82 3fyu s ARG 21 Ca 0.70 0.50 0.35 0.00 0.00 0.00 0.00 55.73 57.28 3fyu s ARG 21 Cb -0.60 -1.97 1.96 0.00 0.00 0.00 0.00 34.95 34.34 3fyu s ARG 21 CO 0.45 -1.32 2.19 -1.35 0.00 0.00 0.00 175.30 175.27 3fyu h PRO 22 N -0.87 0.00 -0.65 3.54 0.11 -2.04 -1.34 132.00 130.75 3fyu h PRO 22 Ca -0.46 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.43 3fyu h PRO 22 Cb 1.27 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.24 3fyu h PRO 22 CO 0.62 0.00 0.23 -0.40 -0.21 0.00 0.00 178.00 178.24 3fyu n ASP 23 N -3.40 4.25 0.12 -2.05 5.75 -1.26 -4.72 116.55 115.25 3fyu n ASP 23 Ca -0.01 -3.33 -0.06 0.00 -0.01 0.00 0.00 54.79 51.38 3fyu n ASP 23 Cb 0.21 -0.72 -0.03 0.00 -1.03 0.00 0.00 41.12 39.55 3fyu n ASP 23 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3fyu h PHE 24 N 2.12 -0.42 0.00 2.11 3.57 -1.60 -0.07 116.94 122.65 3fyu h PHE 24 Ca 0.27 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 3fyu h PHE 24 Cb 2.19 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 41.08 3fyu h PHE 24 CO 1.19 -0.22 -0.08 0.66 -2.23 0.00 0.00 178.31 177.63 3fyu h SER 25 N -0.36 0.00 -0.05 0.41 4.64 -1.85 -1.27 113.55 115.07 3fyu h SER 25 Ca -0.03 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 3fyu h SER 25 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3fyu h SER 25 CO 0.02 0.08 -0.27 -0.78 -0.87 0.00 0.00 176.83 175.01 3fyu h ASP 26 N 0.00 0.49 -0.38 4.97 3.58 -1.82 0.66 116.42 123.91 3fyu h ASP 26 Ca -0.00 -0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.22 3fyu h ASP 26 Cb 0.15 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 3fyu h ASP 26 CO 0.01 0.74 -0.01 0.15 -2.88 0.00 0.00 179.24 177.25 3fyu h PHE 27 N 0.42 0.75 0.00 0.28 3.57 0.19 -1.15 116.94 121.00 3fyu h PHE 27 Ca 0.06 -0.13 -0.10 0.00 3.53 0.00 0.00 57.97 61.32 3fyu h PHE 27 Cb 0.69 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3fyu h PHE 27 CO 0.02 0.78 -0.49 -1.49 -2.23 0.00 0.00 178.31 174.90 3fyu h TRP 28 N 0.51 0.00 -0.12 0.41 4.06 -1.29 -0.19 115.95 119.33 3fyu h TRP 28 Ca 0.11 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.02 3fyu h TRP 28 Cb 0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.65 3fyu h TRP 28 CO 0.04 0.49 -0.07 -0.22 -3.56 0.00 0.00 178.44 175.12 3fyu h LYS 29 N 0.00 0.25 -0.66 0.49 3.64 -0.63 -0.76 116.57 118.90 3fyu h LYS 29 Ca -0.00 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 3fyu h LYS 29 Cb 1.05 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 3fyu h LYS 29 CO 0.06 0.61 0.19 0.87 -2.27 0.00 0.00 179.45 178.91 3fyu h LYS 30 N -0.11 1.05 -0.42 1.90 1.57 -1.13 -2.03 116.57 117.40 3fyu h LYS 30 Ca 0.02 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 3fyu h LYS 30 Cb 0.54 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3fyu h LYS 30 CO 0.02 0.92 0.16 0.77 -0.57 0.00 0.00 179.45 180.75 3fyu h SER 31 N 0.98 0.59 -0.26 0.86 0.02 -0.96 -1.28 113.55 113.50 3fyu h SER 31 Ca 0.21 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3fyu h SER 31 Cb 0.33 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3fyu h SER 31 CO -0.00 0.60 0.06 -0.07 -1.14 0.00 0.00 176.83 176.28 3fyu h LEU 32 N 0.54 0.47 -0.89 5.07 3.38 -1.03 -1.82 115.31 121.01 3fyu h LEU 32 Ca 0.14 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3fyu h LEU 32 Cb 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3fyu h LEU 32 CO -0.01 0.49 -0.29 -0.08 0.09 0.00 0.00 178.44 178.65 3fyu h GLU 33 N 0.50 0.48 -0.09 1.13 4.57 -0.75 -0.21 114.58 120.21 3fyu h GLU 33 Ca 0.11 -0.19 -0.15 0.00 -1.18 0.00 0.00 59.36 57.95 3fyu h GLU 33 Cb 0.23 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3fyu h GLU 33 CO 0.00 0.72 -0.61 0.93 -1.18 0.00 0.00 179.01 178.87 3fyu h GLU 34 N 0.42 0.30 -0.19 1.92 5.08 -0.64 -2.68 114.58 118.78 3fyu h GLU 34 Ca 0.06 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3fyu h GLU 34 Cb 0.72 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3fyu h GLU 34 CO 0.05 0.82 0.00 1.25 -1.00 0.00 0.00 179.01 180.14 3fyu h LEU 35 N 0.22 0.33 -1.90 1.33 5.85 -0.91 -2.81 115.31 117.42 3fyu h LEU 35 Ca -0.01 -0.30 0.13 0.00 0.84 0.00 0.00 57.88 58.54 3fyu h LEU 35 Cb 1.13 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3fyu h LEU 35 CO 0.10 0.55 0.35 -0.09 -0.34 0.00 0.00 178.44 179.02 3fyu h ARG 36 N 0.09 0.11 0.00 1.25 2.43 -0.93 0.74 114.38 118.08 3fyu h ARG 36 Ca 0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3fyu h ARG 36 Cb 0.38 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3fyu h ARG 36 CO 0.01 0.07 0.00 1.04 -1.51 0.00 0.00 179.97 179.58 3fyu n GLN 37 N -4.42 0.26 -3.73 0.20 6.02 -1.02 -4.53 117.38 110.17 3fyu n GLN 37 Ca 0.09 0.11 -0.38 0.00 -0.01 0.00 0.00 57.00 56.81 3fyu n GLN 37 Cb 0.50 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.14 3fyu n GLN 37 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3fyu s VAL 38 N -2.58 4.02 0.22 5.09 1.01 0.25 -5.07 120.40 123.35 3fyu s VAL 38 Ca 0.18 -0.88 -0.32 0.00 0.00 0.00 0.00 61.98 60.96 3fyu s VAL 38 Cb 0.13 -3.18 -0.12 0.00 0.00 0.00 0.00 36.38 33.21 3fyu s VAL 38 CO 0.29 -0.07 1.71 -1.61 0.00 0.00 0.00 175.10 175.42 3fyu s GLU 39 N 1.47 4.12 0.17 2.72 0.41 -1.26 -4.83 118.70 121.50 3fyu s GLU 39 Ca 0.01 2.61 -0.14 0.00 -0.41 0.00 0.00 54.97 57.04 3fyu s GLU 39 Cb -0.18 -3.07 0.12 0.00 -1.78 0.00 0.00 34.13 29.22 3fyu s GLU 39 CO 0.03 -0.74 1.78 0.00 -0.49 0.00 0.00 175.26 175.84 3fyu h ALA 40 N 6.58 0.60 -6.83 5.21 0.00 -1.94 -3.39 119.26 119.49 3fyu h ALA 40 Ca -0.43 0.02 -0.57 0.00 0.00 0.00 0.00 54.91 53.93 3fyu h ALA 40 Cb 1.20 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 3fyu h ALA 40 CO 0.94 -0.12 -0.93 0.39 0.00 0.00 0.00 179.25 179.54 3fyu n GLU 41 N -4.90 -2.03 -1.43 0.00 1.02 -1.26 0.09 120.64 112.12 3fyu n GLU 41 Ca 0.04 0.24 -0.34 0.00 -0.02 0.00 0.00 57.16 57.08 3fyu n GLU 41 Cb 0.13 -4.10 0.09 0.00 -0.02 0.00 0.00 31.44 27.54 3fyu n GLU 41 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3fyu s PRO 42 N -7.01 2.17 0.03 3.49 0.04 -1.26 -4.56 135.00 127.90 3fyu s PRO 42 Ca 0.07 1.69 0.03 0.00 0.04 0.00 0.00 61.00 62.83 3fyu s PRO 42 Cb -0.04 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 3fyu s PRO 42 CO 0.95 -1.80 -0.10 0.95 0.04 0.00 0.00 177.00 177.04 3fyu s THR 43 N -2.09 0.76 -0.11 1.26 -4.23 0.19 -4.98 115.64 106.45 3fyu s THR 43 Ca 0.73 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 3fyu s THR 43 Cb -0.27 -0.73 0.02 0.00 1.34 0.00 0.00 72.50 72.86 3fyu s THR 43 CO 0.46 -0.12 -0.09 -0.22 -0.54 0.00 0.00 174.62 174.11 3fyu s LEU 44 N -1.11 1.28 -0.14 4.79 2.96 -1.26 -2.16 118.68 123.04 3fyu s LEU 44 Ca -0.03 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 3fyu s LEU 44 Cb -0.07 -0.85 0.02 0.00 0.50 0.00 0.00 46.19 45.79 3fyu s LEU 44 CO 0.01 -0.09 -0.12 -0.70 -1.32 0.00 0.00 176.35 174.12 3fyu s GLU 45 N 1.51 2.09 0.56 1.98 2.12 -0.81 -4.95 118.70 121.19 3fyu s GLU 45 Ca 0.01 -0.47 -0.21 0.00 0.36 0.00 0.00 54.97 54.66 3fyu s GLU 45 Cb -0.13 -1.96 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 3fyu s GLU 45 CO -0.06 -0.24 1.31 -1.13 -0.54 0.00 0.00 175.26 174.60 3fyu n SER 46 N 4.80 2.44 -3.88 -1.70 3.41 -1.26 -0.06 113.62 117.37 3fyu n SER 46 Ca -0.16 0.95 -0.21 0.00 -0.26 0.00 0.00 58.87 59.19 3fyu n SER 46 Cb 0.50 -1.56 -0.17 0.00 -0.26 0.00 0.00 64.21 62.73 3fyu n SER 46 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3fyu s TYR 47 N -1.32 0.79 0.24 7.33 5.04 0.30 -4.75 117.35 124.99 3fyu s TYR 47 Ca 0.73 -0.24 -0.30 0.00 -2.44 0.00 0.00 57.07 54.83 3fyu s TYR 47 Cb -0.42 -0.73 -0.09 0.00 0.35 0.00 0.00 41.96 41.08 3fyu s TYR 47 CO 0.48 -0.23 1.17 -0.51 -1.34 0.00 0.00 175.55 175.12 3fyu s ASP 48 N 1.10 7.13 -0.19 4.32 1.01 -1.26 -4.17 116.67 124.61 3fyu s ASP 48 Ca -0.08 2.30 -0.13 0.00 0.71 0.00 0.00 52.55 55.35 3fyu s ASP 48 Cb -0.14 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.23 3fyu s ASP 48 CO -0.01 -0.29 0.48 -0.47 0.21 0.00 0.00 175.17 175.08 3fyu s TYR 49 N -0.64 -0.63 -0.64 4.23 6.14 -1.26 -5.07 117.35 119.48 3fyu s TYR 49 Ca 0.49 1.40 -0.22 0.00 0.64 0.00 0.00 57.07 59.37 3fyu s TYR 49 Cb -0.33 0.28 -0.19 0.00 0.42 0.00 0.00 41.96 42.14 3fyu s TYR 49 CO 0.40 -0.33 1.87 -0.35 0.64 0.00 0.00 175.55 177.78 3fyu n PRO 50 N 3.66 1.27 -3.94 4.97 -0.04 -1.26 -4.82 135.00 134.83 3fyu n PRO 50 Ca -0.19 -1.67 -0.10 0.00 -0.04 0.00 0.00 63.50 61.50 3fyu n PRO 50 Cb 0.56 -2.82 -0.10 0.00 -0.04 0.00 0.00 33.50 31.10 3fyu n PRO 50 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3fyu s VAL 51 N 5.24 0.12 -0.09 0.52 0.11 -1.26 -5.16 120.40 119.89 3fyu s VAL 51 Ca 0.58 -0.95 0.01 0.00 -2.93 0.00 0.00 61.98 58.69 3fyu s VAL 51 Cb 0.14 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 3fyu s VAL 51 CO 0.15 -0.52 -0.11 -0.75 -3.33 0.00 0.00 175.10 170.53 3fyu s LYS 52 N -1.87 2.93 0.00 1.54 2.20 -1.26 -4.56 119.74 118.71 3fyu s LYS 52 Ca -0.12 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 3fyu s LYS 52 Cb -0.06 -2.55 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 3fyu s LYS 52 CO -0.02 0.48 0.00 0.41 -0.36 0.00 0.00 175.35 175.86 3fyu n GLY 53 N 2.76 0.74 2.94 5.54 0.00 -1.26 -5.03 105.19 110.88 3fyu n GLY 53 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 3fyu n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fyu s VAL 54 N -2.35 -0.01 -0.19 1.61 1.01 -1.26 0.14 120.40 119.35 3fyu s VAL 54 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 3fyu s VAL 54 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.24 3fyu s VAL 54 CO 0.00 0.01 -0.01 -0.54 0.00 0.00 0.00 175.10 174.56 3fyu s LYS 55 N 0.15 3.65 -0.01 2.72 1.02 -0.10 -4.84 119.74 122.33 3fyu s LYS 55 Ca -0.01 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.47 3fyu s LYS 55 Cb -0.02 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 3fyu s LYS 55 CO -0.00 0.09 0.04 0.08 -0.92 0.00 0.00 175.35 174.63 3fyu s VAL 56 N 0.79 4.44 0.15 3.17 1.01 -1.26 -0.36 120.40 128.33 3fyu s VAL 56 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 3fyu s VAL 56 Cb -0.14 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 3fyu s VAL 56 CO 0.02 0.38 0.07 -0.31 0.00 0.00 0.00 175.10 175.26 3fyu s TYR 57 N -1.13 0.94 -0.21 5.22 1.51 0.14 -0.54 117.35 123.29 3fyu s TYR 57 Ca 0.21 -1.27 -0.04 0.00 -1.01 0.00 0.00 57.07 54.96 3fyu s TYR 57 Cb -0.12 -0.50 -0.01 0.00 -0.11 0.00 0.00 41.96 41.22 3fyu s TYR 57 CO 0.11 -0.54 -0.05 0.50 -1.11 0.00 0.00 175.55 174.47 3fyu s ARG 58 N -4.07 3.39 -0.10 -0.62 3.52 0.92 -0.29 118.95 121.70 3fyu s ARG 58 Ca 0.28 -0.62 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 3fyu s ARG 58 Cb 0.07 -2.98 -0.03 0.00 -1.56 0.00 0.00 34.95 30.45 3fyu s ARG 58 CO 0.04 -0.15 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.15 3fyu s LEU 59 N 1.36 3.21 0.05 -0.88 2.96 -0.20 -1.93 118.68 123.25 3fyu s LEU 59 Ca 0.04 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 3fyu s LEU 59 Cb -0.14 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 3fyu s LEU 59 CO -0.02 0.30 -0.07 0.42 -1.32 0.00 0.00 176.35 175.66 3fyu s THR 60 N -0.45 0.51 0.16 3.68 -4.23 -0.92 -1.99 115.64 112.41 3fyu s THR 60 Ca 0.07 -1.28 -0.19 0.00 -1.18 0.00 0.00 61.69 59.11 3fyu s THR 60 Cb -0.12 -0.85 0.04 0.00 1.34 0.00 0.00 72.50 72.92 3fyu s THR 60 CO 0.02 -0.53 0.51 -0.72 -0.54 0.00 0.00 174.62 173.36 3fyu s TYR 61 N -2.00 -0.29 -0.03 3.99 1.13 -0.37 -0.64 117.35 119.14 3fyu s TYR 61 Ca -0.05 -0.01 -0.14 0.00 -1.41 0.00 0.00 57.07 55.47 3fyu s TYR 61 Cb -0.06 0.41 -0.05 0.00 -1.10 0.00 0.00 41.96 41.16 3fyu s TYR 61 CO -0.01 -0.83 0.37 -0.65 -2.51 0.00 0.00 175.55 171.91 3fyu s GLN 62 N -3.81 3.88 0.00 -3.49 -1.52 0.11 -0.36 119.66 114.48 3fyu s GLN 62 Ca 0.04 0.32 0.00 0.00 -1.95 0.00 0.00 55.36 53.77 3fyu s GLN 62 Cb -0.00 -3.23 0.00 0.00 -0.22 0.00 0.00 33.01 29.55 3fyu s GLN 62 CO -0.09 0.66 0.00 0.45 -0.25 0.00 0.00 175.29 176.06 3fyu n SER 63 N 2.00 0.19 -4.13 5.90 2.88 -0.12 -4.29 113.62 116.04 3fyu n SER 63 Ca -0.14 -0.65 -0.50 0.00 -1.33 0.00 0.00 58.87 56.25 3fyu n SER 63 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 3fyu n SER 63 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3fyu n PHE 64 N 0.00 0.15 -1.34 0.66 7.35 -1.26 -0.16 117.46 122.87 3fyu n PHE 64 Ca 0.00 0.95 -0.12 0.00 -0.76 0.00 0.00 57.45 57.52 3fyu n PHE 64 Cb 0.00 -1.89 -0.05 0.00 0.35 0.00 0.00 39.48 37.89 3fyu n PHE 64 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3fyu n GLY 65 N 1.58 1.25 2.71 7.13 0.00 -1.26 -2.75 105.19 113.86 3fyu n GLY 65 Ca 0.18 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 3fyu n GLY 65 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fyu n HIS 66 N -2.59 -1.48 -3.00 1.61 8.25 0.78 -4.73 115.22 114.05 3fyu n HIS 66 Ca -0.12 0.23 -0.37 0.00 -0.26 0.00 0.00 57.72 57.20 3fyu n HIS 66 Cb 0.42 -3.99 -0.06 0.00 1.12 0.00 0.00 29.99 27.47 3fyu n HIS 66 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3fyu s SER 67 N -2.34 7.22 -0.45 0.41 0.01 -1.07 -4.77 113.70 112.71 3fyu s SER 67 Ca 0.14 1.57 -0.20 0.00 1.31 0.00 0.00 55.95 58.78 3fyu s SER 67 Cb -0.07 -2.48 0.03 0.00 0.21 0.00 0.00 66.02 63.72 3fyu s SER 67 CO 0.18 0.08 0.62 -0.75 0.41 0.00 0.00 173.24 173.77 3fyu s LYS 68 N -1.70 3.23 0.02 12.44 2.20 -1.26 -0.95 119.74 133.72 3fyu s LYS 68 Ca 0.42 -0.51 -0.13 0.00 -0.36 0.00 0.00 55.97 55.39 3fyu s LYS 68 Cb -0.19 -3.98 -0.06 0.00 -1.51 0.00 0.00 37.83 32.09 3fyu s LYS 68 CO 0.23 -1.03 0.39 0.42 -0.36 0.00 0.00 175.35 175.00 3fyu s ILE 69 N 2.72 5.08 0.41 5.43 -1.09 0.52 -1.09 121.20 133.18 3fyu s ILE 69 Ca 0.20 0.68 0.05 0.00 -2.23 0.00 0.00 60.65 59.34 3fyu s ILE 69 Cb -0.15 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.04 3fyu s ILE 69 CO 0.17 0.49 0.16 -1.61 -1.23 0.00 0.00 174.94 172.93 3fyu s GLU 70 N -1.33 1.96 0.00 2.79 2.02 -1.26 -1.24 118.70 121.64 3fyu s GLU 70 Ca 0.26 -2.20 0.00 0.00 0.02 0.00 0.00 54.97 53.05 3fyu s GLU 70 Cb -0.15 -0.44 0.00 0.00 0.10 0.00 0.00 34.13 33.63 3fyu s GLU 70 CO 0.14 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.28 3fyu n GLY 71 N -0.91 3.46 3.80 -1.39 0.00 -0.84 -1.24 105.19 108.07 3fyu n GLY 71 Ca -0.04 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 3fyu n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fyu s PHE 72 N -2.00 3.20 -0.15 1.61 0.40 -1.25 -1.03 117.98 118.75 3fyu s PHE 72 Ca 0.00 1.61 -0.01 0.00 -0.60 0.00 0.00 56.93 57.93 3fyu s PHE 72 Cb 0.00 -3.00 0.04 0.00 0.51 0.00 0.00 43.02 40.58 3fyu s PHE 72 CO 0.00 -0.48 -0.01 -0.47 0.70 0.00 0.00 175.22 174.95 3fyu s TYR 73 N -1.96 1.28 -0.10 0.36 5.04 0.60 -1.50 117.35 121.07 3fyu s TYR 73 Ca 0.63 -0.82 -0.01 0.00 -2.44 0.00 0.00 57.07 54.42 3fyu s TYR 73 Cb -0.15 -1.12 -0.03 0.00 0.35 0.00 0.00 41.96 41.01 3fyu s TYR 73 CO 0.19 -0.55 -0.04 0.00 -1.34 0.00 0.00 175.55 173.81 3fyu s ALA 74 N 1.77 3.07 -0.02 3.97 0.00 0.61 0.29 121.76 131.44 3fyu s ALA 74 Ca 0.01 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.18 3fyu s ALA 74 Cb -0.15 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 3fyu s ALA 74 CO -0.07 0.45 -0.17 0.08 0.00 0.00 0.00 175.76 176.06 3fyu s VAL 75 N -0.43 1.34 0.34 0.00 1.01 0.51 -0.05 120.40 123.13 3fyu s VAL 75 Ca 0.07 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 3fyu s VAL 75 Cb -0.12 -1.13 -0.11 0.00 0.00 0.00 0.00 36.38 35.02 3fyu s VAL 75 CO 0.02 0.38 1.55 -2.84 0.00 0.00 0.00 175.10 174.21 3fyu s PRO 76 N -0.27 4.10 -1.36 2.72 0.02 -1.26 -0.92 135.00 138.03 3fyu s PRO 76 Ca 0.04 2.60 -0.11 0.00 0.02 0.00 0.00 61.00 63.55 3fyu s PRO 76 Cb -0.08 -2.98 0.11 0.00 0.02 0.00 0.00 34.50 31.57 3fyu s PRO 76 CO 0.00 -0.60 2.03 -3.47 -0.33 0.00 0.00 177.00 174.63 3fyu n ASP 77 N 1.18 4.57 -3.74 2.53 2.03 0.12 -4.75 116.55 118.49 3fyu n ASP 77 Ca 0.04 -3.00 -0.09 0.00 0.52 0.00 0.00 54.79 52.27 3fyu n ASP 77 Cb 0.38 -1.56 -0.02 0.00 -0.72 0.00 0.00 41.12 39.20 3fyu n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fyu s GLN 78 N 1.58 1.61 0.34 -0.67 -2.07 -1.26 -4.88 119.66 114.31 3fyu s GLN 78 Ca 0.43 -0.86 -0.29 0.00 -1.82 0.00 0.00 55.36 52.82 3fyu s GLN 78 Cb 0.12 0.59 -0.11 0.00 -1.09 0.00 0.00 33.01 32.52 3fyu s GLN 78 CO -0.04 -0.72 1.42 0.95 -1.32 0.00 0.00 175.29 175.59 3fyu s THR 79 N -3.88 2.37 0.00 3.63 -4.23 -1.26 -5.03 115.64 107.25 3fyu s THR 79 Ca 0.09 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 3fyu s THR 79 Cb -0.04 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.57 3fyu s THR 79 CO 0.01 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 3fyu n GLY 80 N 0.93 1.47 3.76 3.99 0.00 -1.26 -4.84 105.19 109.23 3fyu n GLY 80 Ca 0.02 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 3fyu n GLY 80 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fyu s PRO 81 N 2.65 2.80 0.15 1.61 0.02 -1.26 -5.10 135.00 135.86 3fyu s PRO 81 Ca 0.00 1.54 0.07 0.00 0.02 0.00 0.00 61.00 62.63 3fyu s PRO 81 Cb 0.00 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 3fyu s PRO 81 CO 0.00 -1.28 -0.05 -1.01 -0.33 0.00 0.00 177.00 174.33 3fyu s HIS 82 N -2.10 2.78 0.53 6.54 3.76 0.94 -4.73 115.29 123.01 3fyu s HIS 82 Ca 0.70 -0.15 -0.19 0.00 -0.15 0.00 0.00 55.06 55.27 3fyu s HIS 82 Cb -0.24 -1.38 -0.06 0.00 1.11 0.00 0.00 32.58 32.01 3fyu s HIS 82 CO 0.39 0.49 1.06 -1.25 -0.85 0.00 0.00 174.74 174.57 3fyu s PRO 83 N -2.67 3.57 0.29 8.40 0.04 -1.26 -0.85 135.00 142.52 3fyu s PRO 83 Ca 0.25 1.34 0.07 0.00 0.04 0.00 0.00 61.00 62.70 3fyu s PRO 83 Cb -0.10 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 3fyu s PRO 83 CO 0.16 -0.62 -0.06 0.00 0.04 0.00 0.00 177.00 176.53 3fyu s ALA 84 N -2.12 2.44 -0.01 8.56 0.00 0.08 -1.08 121.76 129.63 3fyu s ALA 84 Ca 0.67 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3fyu s ALA 84 Cb -0.17 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3fyu s ALA 84 CO 0.27 -0.06 0.00 -0.51 0.00 0.00 0.00 175.76 175.45 3fyu s LEU 85 N -3.47 1.73 -0.32 0.00 1.43 0.34 -1.08 118.68 117.31 3fyu s LEU 85 Ca 0.30 -0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 53.36 3fyu s LEU 85 Cb 0.04 -0.06 0.04 0.00 0.03 0.00 0.00 46.19 46.24 3fyu s LEU 85 CO 0.13 -0.03 0.05 -0.69 0.23 0.00 0.00 176.35 176.04 3fyu s VAL 86 N 0.31 3.39 -0.16 -1.59 1.01 -0.58 -1.33 120.40 121.45 3fyu s VAL 86 Ca -0.03 -1.23 -0.11 0.00 0.00 0.00 0.00 61.98 60.62 3fyu s VAL 86 Cb -0.04 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 3fyu s VAL 86 CO -0.01 -0.12 0.20 -0.60 0.00 0.00 0.00 175.10 174.57 3fyu s ARG 87 N 1.33 4.02 -0.11 2.72 3.52 -0.31 -1.56 118.95 128.58 3fyu s ARG 87 Ca -0.03 -0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 3fyu s ARG 87 Cb -0.19 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.82 3fyu s ARG 87 CO 0.01 0.41 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.74 3fyu s PHE 88 N -0.01 2.83 0.55 5.12 0.40 -0.10 -2.28 117.98 124.49 3fyu s PHE 88 Ca 0.13 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 56.03 3fyu s PHE 88 Cb -0.12 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.62 3fyu s PHE 88 CO 0.02 -0.02 0.85 -3.38 0.70 0.00 0.00 175.22 173.39 3fyu s HIS 89 N -0.07 3.26 0.86 0.36 -3.43 -1.26 -3.65 115.29 111.35 3fyu s HIS 89 Ca -0.01 0.56 -0.12 0.00 -0.80 0.00 0.00 55.06 54.69 3fyu s HIS 89 Cb -0.14 -2.63 0.10 0.00 -1.43 0.00 0.00 32.58 28.49 3fyu s HIS 89 CO 0.03 -0.70 1.12 0.20 -2.00 0.00 0.00 174.74 173.39 3fyu s GLY 90 N -4.28 1.60 -0.14 -1.38 0.00 -1.26 -2.69 107.32 99.18 3fyu s GLY 90 Ca 0.52 -0.37 -0.32 0.00 0.00 0.00 0.00 44.72 44.56 3fyu s GLY 90 CO 0.44 0.13 2.03 2.98 0.00 0.00 0.00 173.10 178.67 3fyu n TYR 91 N -3.60 2.17 -1.65 1.90 9.36 -1.26 -1.69 117.16 122.39 3fyu n TYR 91 Ca 0.07 -0.07 -0.16 0.00 3.32 0.00 0.00 57.90 61.06 3fyu n TYR 91 Cb 0.58 -2.69 -0.06 0.00 -0.63 0.00 0.00 39.34 36.54 3fyu n TYR 91 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3fyu n ASN 92 N 8.55 -4.28 -1.09 2.98 5.15 -1.26 -4.83 115.26 120.49 3fyu n ASN 92 Ca 0.27 0.34 0.05 0.00 -0.60 0.00 0.00 54.58 54.63 3fyu n ASN 92 Cb 0.34 -3.83 0.26 0.00 -0.53 0.00 0.00 39.78 36.02 3fyu n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fyu n ALA 93 N 0.22 3.40 -2.72 5.20 0.00 -0.68 -4.97 120.51 120.96 3fyu n ALA 93 Ca -0.16 -2.44 -0.37 0.00 0.00 0.00 0.00 53.44 50.47 3fyu n ALA 93 Cb 0.54 -0.79 -0.11 0.00 0.00 0.00 0.00 19.45 19.09 3fyu n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3fyu s SER 94 N -1.90 5.81 -0.20 0.00 0.15 -1.26 -4.67 113.70 111.63 3fyu s SER 94 Ca 0.44 -0.03 -0.02 0.00 0.70 0.00 0.00 55.95 57.04 3fyu s SER 94 Cb 0.37 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 3fyu s SER 94 CO 0.08 -0.02 -0.10 -0.31 1.20 0.00 0.00 173.24 174.09 3fyu s TYR 95 N 1.54 2.88 -1.58 3.44 1.51 -1.26 -4.65 117.35 119.23 3fyu s TYR 95 Ca 0.07 -1.16 -0.15 0.00 -1.01 0.00 0.00 57.07 54.82 3fyu s TYR 95 Cb -0.15 -2.02 0.11 0.00 -0.11 0.00 0.00 41.96 39.78 3fyu s TYR 95 CO 0.08 -0.62 0.91 -0.25 -1.11 0.00 0.00 175.55 174.56 3fyu n ASP 96 N 4.65 -4.18 -0.66 2.29 10.43 -1.26 -0.90 116.55 126.93 3fyu n ASP 96 Ca -0.19 -0.86 -0.09 0.00 2.57 0.00 0.00 54.79 56.22 3fyu n ASP 96 Cb 0.51 -3.52 -0.04 0.00 1.84 0.00 0.00 41.12 39.91 3fyu n ASP 96 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fyu n GLY 97 N -1.60 0.89 2.35 0.44 0.00 -1.26 -2.81 105.19 103.19 3fyu n GLY 97 Ca 0.04 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 3fyu n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyu n GLY 98 N -0.23 -0.11 0.36 -0.02 0.00 -0.07 -4.69 105.19 100.42 3fyu n GLY 98 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 3fyu n GLY 98 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fyu h ILE 99 N 0.00 0.75 -0.39 -0.61 2.10 -1.74 -1.92 117.51 115.71 3fyu h ILE 99 Ca -0.31 -0.28 -0.05 0.00 1.08 0.00 0.00 64.86 65.30 3fyu h ILE 99 Cb 1.16 -0.12 -0.02 0.00 -1.09 0.00 0.00 36.82 36.74 3fyu h ILE 99 CO 0.38 0.15 0.04 0.45 -1.08 0.00 0.00 178.15 178.09 3fyu h HIS 100 N 0.81 0.62 0.05 2.19 3.86 -1.88 -0.40 115.15 120.40 3fyu h HIS 100 Ca 0.56 -0.06 -0.23 0.00 -1.16 0.00 0.00 60.37 59.48 3fyu h HIS 100 Cb 0.82 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.10 3fyu h HIS 100 CO -0.00 0.58 -1.04 -0.44 0.86 0.00 0.00 177.93 177.89 3fyu h ASP 101 N 0.58 0.35 -0.31 2.45 3.32 -1.75 -2.38 116.42 118.68 3fyu h ASP 101 Ca 0.13 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3fyu h ASP 101 Cb 0.32 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3fyu h ASP 101 CO 0.01 1.18 0.18 0.40 -1.72 0.00 0.00 179.24 179.29 3fyu h ILE 102 N 0.11 1.12 -0.56 0.35 1.08 -1.00 -0.56 117.51 118.05 3fyu h ILE 102 Ca -0.08 -0.28 -0.00 0.00 -0.39 0.00 0.00 64.86 64.10 3fyu h ILE 102 Cb 1.72 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 36.18 3fyu h ILE 102 CO 0.17 0.11 0.34 0.58 -0.69 0.00 0.00 178.15 178.66 3fyu h VAL 103 N 0.39 1.17 -0.38 1.67 2.07 -1.06 -1.95 116.25 118.16 3fyu h VAL 103 Ca 0.11 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 3fyu h VAL 103 Cb 0.03 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3fyu h VAL 103 CO -0.02 0.17 0.13 0.78 0.02 0.00 0.00 177.57 178.65 3fyu h ASN 104 N 0.76 0.49 -0.41 0.57 2.35 -1.03 0.26 115.58 118.57 3fyu h ASN 104 Ca 0.20 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 3fyu h ASN 104 Cb -0.02 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3fyu h ASN 104 CO -0.04 0.47 0.02 -0.50 -1.65 0.00 0.00 177.43 175.74 3fyu h TRP 105 N 0.54 0.83 -0.14 1.19 -0.00 -0.39 -1.32 115.95 116.66 3fyu h TRP 105 Ca 0.13 -0.11 -0.11 0.00 -0.00 0.00 0.00 58.89 58.80 3fyu h TRP 105 Cb 0.15 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 29.07 3fyu h TRP 105 CO 0.01 0.75 -0.41 0.00 -0.00 0.00 0.00 178.44 178.79 3fyu h ALA 106 N 1.29 1.05 0.00 1.49 0.00 -0.54 -1.79 119.26 120.75 3fyu h ALA 106 Ca 0.15 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3fyu h ALA 106 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3fyu h ALA 106 CO 0.01 0.60 -0.25 -0.07 0.00 0.00 0.00 179.25 179.55 3fyu h LEU 107 N 0.26 0.00 -0.05 0.00 3.38 -0.13 -0.29 115.31 118.48 3fyu h LEU 107 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3fyu h LEU 107 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3fyu h LEU 107 CO 0.07 0.25 -0.01 1.41 0.09 0.00 0.00 178.44 180.25 3fyu n HIS 108 N -3.65 0.00 0.00 1.13 8.25 -0.58 -4.87 115.22 115.49 3fyu n HIS 108 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3fyu n HIS 108 Cb 0.37 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.39 3fyu n HIS 108 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fyu n GLY 109 N 1.10 0.95 3.54 -1.41 0.00 -0.12 -5.07 105.19 104.18 3fyu n GLY 109 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3fyu n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fyu s TYR 110 N -2.00 3.08 -0.33 1.61 2.02 -0.75 -4.31 117.35 116.67 3fyu s TYR 110 Ca 0.00 -0.18 -0.29 0.00 -0.37 0.00 0.00 57.07 56.23 3fyu s TYR 110 Cb 0.00 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.58 3fyu s TYR 110 CO 0.00 0.04 1.52 0.00 -1.57 0.00 0.00 175.55 175.55 3fyu s ALA 111 N 0.27 3.11 -0.07 3.71 0.00 -0.24 -3.10 121.76 125.45 3fyu s ALA 111 Ca -0.01 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.11 3fyu s ALA 111 Cb -0.14 -3.91 -0.01 0.00 0.00 0.00 0.00 23.12 19.06 3fyu s ALA 111 CO 0.02 -2.24 -0.21 0.99 0.00 0.00 0.00 175.76 174.32 3fyu s THR 112 N 5.50 2.37 -0.18 0.00 2.01 0.92 -0.50 115.64 125.76 3fyu s THR 112 Ca 0.67 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.73 3fyu s THR 112 Cb -0.19 -1.89 0.03 0.00 0.01 0.00 0.00 72.50 70.46 3fyu s THR 112 CO 0.30 0.57 -0.17 0.12 -0.69 0.00 0.00 174.62 174.75 3fyu s PHE 113 N -0.18 2.65 -0.85 4.92 5.36 -0.44 -0.29 117.98 129.15 3fyu s PHE 113 Ca -0.02 -1.62 -0.16 0.00 -0.96 0.00 0.00 56.93 54.17 3fyu s PHE 113 Cb -0.14 -1.82 0.18 0.00 -0.34 0.00 0.00 43.02 40.91 3fyu s PHE 113 CO 0.03 -0.78 0.89 0.20 -1.46 0.00 0.00 175.22 174.11 3fyu s GLY 114 N 1.33 2.35 0.09 13.12 0.00 -0.56 -1.16 107.32 122.49 3fyu s GLY 114 Ca 0.03 -3.06 -0.31 0.00 0.00 0.00 0.00 44.72 41.38 3fyu s GLY 114 CO -0.11 1.55 1.66 -0.29 0.00 0.00 0.00 173.10 175.91 3fyu s MET 115 N 1.22 4.19 -0.07 2.90 1.75 -0.97 -3.86 119.30 124.47 3fyu s MET 115 Ca 0.23 2.37 -0.24 0.00 -1.25 0.00 0.00 55.69 56.80 3fyu s MET 115 Cb -0.09 -3.53 -0.03 0.00 2.84 0.00 0.00 34.83 34.02 3fyu s MET 115 CO -0.08 -0.73 0.71 -0.51 -0.65 0.00 0.00 175.02 173.76 3fyu s LEU 116 N 2.41 4.31 0.04 4.11 1.43 -0.37 -4.34 118.68 126.26 3fyu s LEU 116 Ca 0.74 1.18 -0.30 0.00 -1.03 0.00 0.00 54.13 54.72 3fyu s LEU 116 Cb -0.41 -3.09 -0.05 0.00 0.03 0.00 0.00 46.19 42.67 3fyu s LEU 116 CO 0.33 -0.14 1.16 -0.69 0.23 0.00 0.00 176.35 177.24 3fyu s VAL 117 N 0.91 4.20 -0.13 -1.59 1.01 -1.26 -4.49 120.40 119.04 3fyu s VAL 117 Ca 0.38 1.57 -0.19 0.00 0.00 0.00 0.00 61.98 63.74 3fyu s VAL 117 Cb -0.18 -4.01 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 3fyu s VAL 117 CO 0.18 0.11 0.59 0.54 0.00 0.00 0.00 175.10 176.52 3fyu n ARG 118 N 4.07 0.00 -0.28 2.72 1.74 -1.24 -0.48 116.66 123.19 3fyu n ARG 118 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3fyu n ARG 118 Cb 0.47 -0.63 0.00 0.00 -1.02 0.00 0.00 32.46 31.28 3fyu n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fyu n GLY 119 N 1.30 0.36 0.00 -0.13 0.00 -0.97 -4.81 105.19 100.94 3fyu n GLY 119 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3fyu n GLY 119 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fyu n GLN 120 N -2.00 0.00 0.00 1.61 6.02 0.37 -4.76 117.38 118.62 3fyu n GLN 120 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 3fyu n GLN 120 Cb 0.00 0.00 0.59 0.00 1.02 0.00 0.00 30.24 31.85 3fyu n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fyu n GLY 121 N 3.45 -1.20 0.00 1.08 0.00 -1.20 -4.96 105.19 102.36 3fyu n GLY 121 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3fyu n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyu n GLY 122 N 0.91 -0.74 0.72 -0.02 0.00 -1.25 -4.52 105.19 100.29 3fyu n GLY 122 Ca 0.10 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 44.86 3fyu n GLY 122 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fyu n SER 123 N 1.71 -3.88 -4.85 1.61 7.64 -1.26 -2.43 113.62 112.15 3fyu n SER 123 Ca 0.00 0.84 -0.36 0.00 1.01 0.00 0.00 58.87 60.36 3fyu n SER 123 Cb 0.00 -1.93 -0.06 0.00 -1.01 0.00 0.00 64.21 61.21 3fyu n SER 123 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3fyu s GLU 124 N -4.45 3.84 -0.30 1.43 2.12 -0.25 -2.28 118.70 118.81 3fyu s GLU 124 Ca 0.00 0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.65 3fyu s GLU 124 Cb 0.00 -3.07 0.09 0.00 0.26 0.00 0.00 34.13 31.40 3fyu s GLU 124 CO 0.00 0.60 0.02 0.34 -0.54 0.00 0.00 175.26 175.68 3fyu s ASP 125 N -1.50 4.40 0.08 -1.70 -1.08 -1.26 -4.27 116.67 111.33 3fyu s ASP 125 Ca 0.30 -1.76 0.27 0.00 -0.52 0.00 0.00 52.55 50.84 3fyu s ASP 125 Cb -0.15 -1.37 0.95 0.00 -1.46 0.00 0.00 42.92 40.89 3fyu s ASP 125 CO 0.16 -0.33 1.78 0.35 0.52 0.00 0.00 175.17 177.65 3fyu n THR 126 N 4.48 0.22 -1.89 1.71 -2.24 -1.26 -4.85 114.28 110.45 3fyu n THR 126 Ca -0.03 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 3fyu n THR 126 Cb 0.42 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 3fyu n THR 126 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3fyu s SER 127 N -3.59 6.54 0.67 3.42 1.04 -1.26 -4.97 113.70 115.55 3fyu s SER 127 Ca 0.12 2.68 -0.15 0.00 0.48 0.00 0.00 55.95 59.08 3fyu s SER 127 Cb 0.16 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.69 3fyu s SER 127 CO 0.58 -0.85 1.11 -0.69 0.98 0.00 0.00 173.24 174.37 3fyu s VAL 128 N 1.11 3.25 -0.49 5.02 1.01 -1.26 -5.00 120.40 124.04 3fyu s VAL 128 Ca 0.71 0.56 -0.18 0.00 0.00 0.00 0.00 61.98 63.07 3fyu s VAL 128 Cb -0.45 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 32.90 3fyu s VAL 128 CO 0.32 -0.38 0.57 -0.89 0.00 0.00 0.00 175.10 174.72 3fyu s THR 129 N -2.39 4.95 0.27 3.92 2.01 -1.26 -4.85 115.64 118.29 3fyu s THR 129 Ca 0.66 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 62.13 3fyu s THR 129 Cb -0.20 -4.24 0.27 0.00 0.01 0.00 0.00 72.50 68.35 3fyu s THR 129 CO 0.43 -0.71 1.88 -0.65 -0.69 0.00 0.00 174.62 174.88 3fyu h PRO 130 N 8.92 1.13 0.00 4.92 0.11 -1.94 -3.47 132.00 141.66 3fyu h PRO 130 Ca -0.27 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3fyu h PRO 130 Cb 1.10 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3fyu h PRO 130 CO 0.93 0.74 0.00 0.41 -0.21 0.00 0.00 178.00 179.87 3fyu n GLY 131 N -1.37 1.95 3.75 -0.55 0.00 -1.26 -5.11 105.19 102.60 3fyu n GLY 131 Ca 0.16 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 3fyu n GLY 131 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fyu s GLY 132 N -0.60 2.73 0.18 -0.02 0.00 -1.26 -4.83 107.32 103.52 3fyu s GLY 132 Ca 0.00 1.04 -0.22 0.00 0.00 0.00 0.00 44.72 45.54 3fyu s GLY 132 CO 0.00 1.44 0.60 -2.38 0.00 0.00 0.00 173.10 172.76 3fyu s HIS 133 N -1.59 -0.44 0.81 1.90 -0.00 -1.26 -4.91 115.29 109.81 3fyu s HIS 133 Ca 0.78 0.17 -0.11 0.00 -0.00 0.00 0.00 55.06 55.91 3fyu s HIS 133 Cb -0.32 0.56 0.08 0.00 -0.00 0.00 0.00 32.58 32.90 3fyu s HIS 133 CO 0.35 -0.91 1.11 0.00 -0.00 0.00 0.00 174.74 175.30 3fyu s ALA 134 N -3.79 2.01 -0.09 -1.38 0.00 -1.26 -4.89 121.76 112.36 3fyu s ALA 134 Ca 0.03 0.39 -0.35 0.00 0.00 0.00 0.00 51.96 52.04 3fyu s ALA 134 Cb -0.02 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 19.64 3fyu s ALA 134 CO -0.09 -2.07 1.81 -0.11 0.00 0.00 0.00 175.76 175.30 3fyu n LEU 135 N -3.69 3.20 0.00 0.00 0.00 -1.26 -4.70 117.00 110.55 3fyu n LEU 135 Ca 0.10 1.00 0.00 0.00 0.00 0.00 0.00 56.01 57.11 3fyu n LEU 135 Cb 0.53 -1.34 0.00 0.00 0.00 0.00 0.00 43.42 42.61 3fyu n LEU 135 CO 0.52 -0.16 0.00 0.61 0.00 0.00 0.00 177.39 178.36 3fyu n GLY 136 N 4.22 0.72 0.03 -3.96 0.00 -1.26 -4.85 105.19 100.10 3fyu n GLY 136 Ca 0.22 -2.28 0.11 0.00 0.00 0.00 0.00 46.02 44.07 3fyu n GLY 136 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3fyu n TRP 137 N -0.51 0.24 -0.23 1.61 8.01 -1.26 -4.49 117.44 120.81 3fyu n TRP 137 Ca 0.00 0.07 0.23 0.00 -1.31 0.00 0.00 57.50 56.49 3fyu n TRP 137 Cb 0.00 -0.57 0.60 0.00 -2.01 0.00 0.00 31.31 29.33 3fyu n TRP 137 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.69 177.20 3fyu h MET 138 N 0.00 0.23 -0.19 -0.99 2.86 -1.90 -2.43 114.93 112.52 3fyu h MET 138 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3fyu h MET 138 Cb 0.94 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.55 3fyu h MET 138 CO 0.00 0.16 0.00 0.25 1.06 0.00 0.00 176.91 178.38 3fyu n THR 139 N -4.43 0.99 -1.94 2.22 -2.24 -1.26 -4.89 114.28 102.73 3fyu n THR 139 Ca 0.20 -0.99 -0.42 0.00 -2.27 0.00 0.00 64.05 60.56 3fyu n THR 139 Cb 0.83 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 3fyu n THR 139 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fyu s LYS 140 N -0.99 4.18 -1.39 -0.78 2.20 -0.92 -1.87 119.74 120.17 3fyu s LYS 140 Ca 0.12 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 58.01 3fyu s LYS 140 Cb 0.06 -3.94 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 3fyu s LYS 140 CO 0.08 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 174.65 3fyu n GLY 141 N 4.17 1.02 0.02 5.54 0.00 -1.26 -1.48 105.19 113.20 3fyu n GLY 141 Ca 0.17 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.88 3fyu n GLY 141 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3fyu n ILE 142 N -2.96 1.37 1.65 -0.61 3.06 -0.78 -2.20 119.36 118.89 3fyu n ILE 142 Ca -0.14 0.38 0.07 0.00 -2.50 0.00 0.00 62.75 60.55 3fyu n ILE 142 Cb 0.50 -1.26 0.31 0.00 0.54 0.00 0.00 39.64 39.72 3fyu n ILE 142 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3fyu n LEU 143 N -1.62 0.67 -3.64 9.51 4.77 -1.26 -4.27 117.00 121.16 3fyu n LEU 143 Ca 0.02 -0.31 -0.09 0.00 -0.03 0.00 0.00 56.01 55.60 3fyu n LEU 143 Cb 0.10 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 3fyu n LEU 143 CO 0.09 0.15 0.53 -0.55 -1.33 0.00 0.00 177.39 176.28 3fyu s SER 144 N -1.34 -0.68 0.54 -1.43 0.15 -1.13 -4.91 113.70 104.91 3fyu s SER 144 Ca 0.21 1.21 0.26 0.00 0.70 0.00 0.00 55.95 58.33 3fyu s SER 144 Cb 0.10 1.25 1.55 0.00 -1.71 0.00 0.00 66.02 67.21 3fyu s SER 144 CO 0.16 -0.20 2.14 0.07 1.20 0.00 0.00 173.24 176.61 3fyu h LYS 145 N 5.42 0.00 -0.00 5.44 2.10 -1.86 -0.64 116.57 127.03 3fyu h LYS 145 Ca -0.29 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.19 3fyu h LYS 145 Cb 1.19 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.50 3fyu h LYS 145 CO 0.11 0.07 -0.77 -0.44 -2.00 0.00 0.00 179.45 176.42 3fyu h ASP 146 N 0.00 0.07 0.13 7.07 3.32 -1.95 -3.29 116.42 121.76 3fyu h ASP 146 Ca -0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3fyu h ASP 146 Cb 0.18 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3fyu h ASP 146 CO 0.01 0.82 -1.19 0.35 -1.72 0.00 0.00 179.24 177.50 3fyu n THR 147 N -3.66 0.04 -1.68 0.35 -2.24 -0.86 -4.97 114.28 101.27 3fyu n THR 147 Ca -0.01 -0.16 -0.44 0.00 -2.27 0.00 0.00 64.05 61.17 3fyu n THR 147 Cb 0.74 0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 69.52 3fyu n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fyu n TYR 148 N -1.77 2.18 -0.26 4.78 9.36 -0.30 -4.42 117.16 126.73 3fyu n TYR 148 Ca 0.02 0.47 0.01 0.00 3.32 0.00 0.00 57.90 61.73 3fyu n TYR 148 Cb 0.41 -2.44 0.09 0.00 -0.63 0.00 0.00 39.34 36.76 3fyu n TYR 148 CO 0.00 0.00 0.00 -0.92 0.22 0.00 0.00 176.86 176.16 3fyu h TYR 149 N 3.63 -0.42 0.00 2.98 3.20 -1.52 -1.40 116.97 123.44 3fyu h TYR 149 Ca -0.45 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.49 3fyu h TYR 149 Cb 1.28 0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.85 3fyu h TYR 149 CO 0.54 -0.33 0.00 0.66 -1.64 0.00 0.00 178.16 177.39 3fyu n TYR 150 N -5.50 0.00 0.17 -3.82 4.01 -1.26 -3.12 117.16 107.63 3fyu n TYR 150 Ca 0.10 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.70 3fyu n TYR 150 Cb 0.39 -0.47 -0.08 0.00 -0.31 0.00 0.00 39.34 38.87 3fyu n TYR 150 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3fyu h ARG 151 N 0.00 -0.37 -0.78 -0.72 2.43 -1.56 0.15 114.38 113.53 3fyu h ARG 151 Ca 0.00 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3fyu h ARG 151 Cb 0.29 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 3fyu h ARG 151 CO 0.00 -0.16 0.41 0.78 -1.51 0.00 0.00 179.97 179.49 3fyu h GLY 152 N -0.50 1.18 0.99 2.80 0.00 -1.68 -2.29 103.07 103.57 3fyu h GLY 152 Ca -0.04 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 3fyu h GLY 152 CO 0.06 0.53 -0.07 -2.08 0.00 0.00 0.00 176.54 174.98 3fyu h VAL 153 N 1.09 0.86 -0.61 4.60 2.07 -1.49 0.16 116.25 122.93 3fyu h VAL 153 Ca 0.27 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.84 3fyu h VAL 153 Cb 0.07 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 3fyu h VAL 153 CO -0.04 0.01 0.30 1.88 0.02 0.00 0.00 177.57 179.74 3fyu h TYR 154 N -0.21 0.55 -0.74 1.57 -1.99 -0.61 -0.27 116.97 115.26 3fyu h TYR 154 Ca -0.02 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 3fyu h TYR 154 Cb 0.16 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.70 3fyu h TYR 154 CO -0.07 0.23 0.26 -0.07 -0.00 0.00 0.00 178.16 178.52 3fyu h LEU 155 N 0.56 1.05 -1.00 3.88 3.38 -1.13 -1.41 115.31 120.63 3fyu h LEU 155 Ca 0.29 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3fyu h LEU 155 Cb 0.24 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3fyu h LEU 155 CO -0.21 0.95 0.66 0.44 0.09 0.00 0.00 178.44 180.37 3fyu h ASP 156 N 1.09 1.11 -0.29 -0.43 3.32 0.60 0.15 116.42 121.98 3fyu h ASP 156 Ca 0.24 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3fyu h ASP 156 Cb 0.26 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3fyu h ASP 156 CO -0.01 0.78 0.18 0.00 -1.72 0.00 0.00 179.24 178.47 3fyu h ALA 157 N 1.39 0.37 -0.08 3.45 0.00 -0.30 0.26 119.26 124.34 3fyu h ALA 157 Ca 0.38 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3fyu h ALA 157 Cb -0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3fyu h ALA 157 CO -0.11 -0.15 0.03 0.28 0.00 0.00 0.00 179.25 179.31 3fyu h VAL 158 N 0.37 1.14 -0.53 0.00 2.07 -0.50 -2.53 116.25 116.27 3fyu h VAL 158 Ca 0.10 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.26 3fyu h VAL 158 Cb -0.01 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3fyu h VAL 158 CO -0.02 0.12 0.36 -0.09 0.02 0.00 0.00 177.57 177.95 3fyu h ARG 159 N -0.02 0.52 -0.64 1.57 9.65 -0.44 -1.19 114.38 123.82 3fyu h ARG 159 Ca 0.03 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 3fyu h ARG 159 Cb 0.16 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 3fyu h ARG 159 CO -0.00 0.34 0.41 0.00 2.80 0.00 0.00 179.97 183.52 3fyu h ALA 160 N 1.70 0.82 -0.61 2.80 0.00 -0.07 -0.62 119.26 123.29 3fyu h ALA 160 Ca 0.23 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3fyu h ALA 160 Cb 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3fyu h ALA 160 CO -0.06 0.19 0.07 -0.07 0.00 0.00 0.00 179.25 179.38 3fyu h LEU 161 N 0.81 0.97 -0.56 0.00 3.38 -0.99 -1.06 115.31 117.87 3fyu h LEU 161 Ca 0.25 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3fyu h LEU 161 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3fyu h LEU 161 CO -0.08 0.99 0.04 -0.33 0.09 0.00 0.00 178.44 179.15 3fyu h GLU 162 N 0.95 0.97 -0.02 1.13 5.08 -0.82 -1.18 114.58 120.68 3fyu h GLU 162 Ca 0.19 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3fyu h GLU 162 Cb 0.45 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3fyu h GLU 162 CO 0.02 0.95 -0.00 0.28 -1.00 0.00 0.00 179.01 179.25 3fyu h VAL 163 N 0.85 1.28 -0.21 3.13 2.07 -0.96 -2.78 116.25 119.65 3fyu h VAL 163 Ca 0.17 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.86 3fyu h VAL 163 Cb 0.48 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 3fyu h VAL 163 CO 0.02 0.22 0.07 0.40 0.02 0.00 0.00 177.57 178.30 3fyu h ILE 164 N -0.32 0.94 0.00 4.57 1.08 -1.14 -2.11 117.51 120.53 3fyu h ILE 164 Ca 0.00 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.41 3fyu h ILE 164 Cb 0.36 0.77 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 3fyu h ILE 164 CO 0.00 0.03 -0.03 0.06 -0.69 0.00 0.00 178.15 177.52 3fyu h GLN 165 N 0.16 0.00 0.00 2.37 3.07 -1.24 -1.01 115.11 118.45 3fyu h GLN 165 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.81 3fyu h GLN 165 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.62 3fyu h GLN 165 CO -0.10 0.03 -0.07 0.66 0.09 0.00 0.00 178.83 179.44 3fyu h SER 166 N 0.00 0.00 -2.94 0.06 4.64 -1.08 -3.42 113.55 110.81 3fyu h SER 166 Ca -0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3fyu h SER 166 Cb 0.11 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.25 3fyu h SER 166 CO 0.00 0.07 0.87 -0.36 -0.87 0.00 0.00 176.83 176.54 3fyu s PHE 167 N -3.42 3.02 0.40 4.77 0.08 -0.39 -4.90 117.98 117.55 3fyu s PHE 167 Ca 0.04 0.68 0.19 0.00 0.12 0.00 0.00 56.93 57.96 3fyu s PHE 167 Cb 0.07 -3.93 1.08 0.00 -0.57 0.00 0.00 43.02 39.66 3fyu s PHE 167 CO 0.63 -3.37 1.96 -1.00 -0.10 0.00 0.00 175.22 173.34 3fyu h PRO 168 N 6.38 0.00 -0.00 0.24 0.13 -1.88 -2.25 132.00 134.62 3fyu h PRO 168 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3fyu h PRO 168 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3fyu h PRO 168 CO 0.89 0.22 -0.01 -0.85 -0.23 0.00 0.00 178.00 178.02 3fyu n GLU 169 N -3.96 1.16 -4.09 0.86 0.00 -1.26 -4.73 120.64 108.61 3fyu n GLU 169 Ca -0.02 -0.31 -0.34 0.00 0.00 0.00 0.00 57.16 56.49 3fyu n GLU 169 Cb 0.30 -1.49 -0.10 0.00 0.00 0.00 0.00 31.44 30.14 3fyu n GLU 169 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3fyu s VAL 170 N -2.05 4.54 -0.69 3.84 1.01 -0.85 -0.04 120.40 126.17 3fyu s VAL 170 Ca 0.43 -0.12 -0.27 0.00 0.00 0.00 0.00 61.98 62.02 3fyu s VAL 170 Cb 0.21 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.59 3fyu s VAL 170 CO 0.37 0.46 1.21 -0.62 0.00 0.00 0.00 175.10 176.52 3fyu s ASP 171 N 0.43 6.23 0.66 3.32 -1.08 -0.03 -4.78 116.67 121.43 3fyu s ASP 171 Ca 0.01 -0.39 0.32 0.00 -0.52 0.00 0.00 52.55 51.98 3fyu s ASP 171 Cb -0.13 -2.54 1.75 0.00 -1.46 0.00 0.00 42.92 40.54 3fyu s ASP 171 CO 0.01 -1.68 1.99 1.05 0.52 0.00 0.00 175.17 177.06 3fyu h GLU 172 N 9.83 0.00 -0.02 4.34 9.09 -1.88 -0.31 114.58 135.64 3fyu h GLU 172 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.14 3fyu h GLU 172 Cb 1.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 3fyu h GLU 172 CO 1.24 0.00 -0.01 0.72 0.05 0.00 0.00 179.01 181.01 3fyu n HIS 173 N -2.98 0.00 -3.01 2.06 8.25 -1.26 -4.26 115.22 114.02 3fyu n HIS 173 Ca -0.02 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.23 3fyu n HIS 173 Cb 0.34 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 3fyu n HIS 173 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3fyu n ARG 174 N 0.28 1.96 -4.77 -0.41 1.74 -0.12 -4.84 116.66 110.49 3fyu n ARG 174 Ca 0.18 -3.98 -0.33 0.00 -0.77 0.00 0.00 57.85 52.96 3fyu n ARG 174 Cb 0.38 -1.89 -0.14 0.00 -1.02 0.00 0.00 32.46 29.79 3fyu n ARG 174 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fyu s ILE 175 N -3.42 3.07 0.17 0.55 1.01 -1.26 -0.74 121.20 120.58 3fyu s ILE 175 Ca 0.43 -0.66 0.11 0.00 0.00 0.00 0.00 60.65 60.53 3fyu s ILE 175 Cb 0.34 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3fyu s ILE 175 CO -0.10 0.52 -0.24 -0.83 0.00 0.00 0.00 174.94 174.30 3fyu s GLY 176 N 0.33 1.64 -0.12 6.18 0.00 -0.24 0.59 107.32 115.70 3fyu s GLY 176 Ca -0.11 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 43.05 3fyu s GLY 176 CO 0.06 -1.60 -0.17 -1.34 0.00 0.00 0.00 173.10 170.05 3fyu s VAL 177 N -1.55 2.65 0.15 1.40 -7.23 -0.88 -1.52 120.40 113.42 3fyu s VAL 177 Ca 0.18 -0.80 0.02 0.00 -1.81 0.00 0.00 61.98 59.57 3fyu s VAL 177 Cb -0.08 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 3fyu s VAL 177 CO 0.09 0.53 -0.03 0.27 -0.31 0.00 0.00 175.10 175.65 3fyu s ILE 178 N 0.42 0.74 0.00 -0.62 -4.36 -0.60 -1.38 121.20 115.41 3fyu s ILE 178 Ca -0.13 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.29 3fyu s ILE 178 Cb -0.17 -1.96 0.00 0.00 1.25 0.00 0.00 42.46 41.58 3fyu s ILE 178 CO 0.06 -0.62 0.00 0.61 0.24 0.00 0.00 174.94 175.23 3fyu n GLY 179 N -0.18 1.80 3.50 6.27 0.00 -0.98 -0.92 105.19 114.68 3fyu n GLY 179 Ca -0.09 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 3fyu n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fyu s GLY 180 N 0.00 1.66 0.00 -0.02 0.00 -1.24 -1.06 107.32 106.66 3fyu s GLY 180 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.85 3fyu s GLY 180 CO 0.00 -0.37 0.00 -1.14 0.00 0.00 0.00 173.10 171.59 3fyu n SER 181 N 2.94 0.00 -0.24 1.64 3.41 0.21 0.10 113.62 121.68 3fyu n SER 181 Ca -0.18 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.36 3fyu n SER 181 Cb 0.53 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.52 3fyu n SER 181 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3fyu h GLN 182 N 0.00 1.03 -0.85 4.33 4.15 -1.85 0.36 115.11 122.29 3fyu h GLN 182 Ca 0.00 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.18 3fyu h GLN 182 Cb 0.00 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.50 3fyu h GLN 182 CO 0.00 0.89 0.42 0.78 -1.93 0.00 0.00 178.83 178.99 3fyu h GLY 183 N 0.97 1.30 1.42 2.39 0.00 0.92 -0.58 103.07 109.49 3fyu h GLY 183 Ca 0.22 -0.64 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 3fyu h GLY 183 CO -0.01 0.60 -0.19 -1.33 0.00 0.00 0.00 176.54 175.62 3fyu h GLY 184 N 1.20 0.73 0.96 4.60 0.00 -1.15 -1.26 103.07 108.16 3fyu h GLY 184 Ca 0.29 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 3fyu h GLY 184 CO -0.04 0.53 0.11 0.00 0.00 0.00 0.00 176.54 177.14 3fyu h ALA 185 N 1.19 0.61 -0.63 3.60 0.00 -0.28 -0.73 119.26 123.02 3fyu h ALA 185 Ca 0.09 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3fyu h ALA 185 Cb 0.65 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3fyu h ALA 185 CO 0.05 0.30 0.10 -0.07 0.00 0.00 0.00 179.25 179.63 3fyu h LEU 186 N 0.62 0.99 0.30 0.00 3.38 -0.91 0.18 115.31 119.87 3fyu h LEU 186 Ca 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3fyu h LEU 186 Cb 0.34 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3fyu h LEU 186 CO 0.00 0.98 -0.23 0.00 0.09 0.00 0.00 178.44 179.29 3fyu h ALA 187 N 1.13 -0.52 -0.77 1.53 0.00 -0.91 0.28 119.26 120.00 3fyu h ALA 187 Ca 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fyu h ALA 187 Cb 0.42 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3fyu h ALA 187 CO 0.01 -0.81 0.47 0.82 0.00 0.00 0.00 179.25 179.73 3fyu h ILE 188 N -0.53 1.22 -0.36 0.00 2.04 -0.90 -1.58 117.51 117.40 3fyu h ILE 188 Ca -0.02 -0.48 -0.08 0.00 1.00 0.00 0.00 64.86 65.27 3fyu h ILE 188 Cb 0.46 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3fyu h ILE 188 CO -0.00 0.23 -0.12 0.00 0.00 0.00 0.00 178.15 178.26 3fyu h ALA 189 N 1.25 1.13 -0.53 1.87 0.00 -0.31 -1.92 119.26 120.75 3fyu h ALA 189 Ca 0.28 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3fyu h ALA 189 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3fyu h ALA 189 CO -0.05 0.55 -0.13 0.00 0.00 0.00 0.00 179.25 179.61 3fyu h ALA 190 N 1.31 0.77 0.00 0.00 0.00 -0.00 -1.85 119.26 119.48 3fyu h ALA 190 Ca 0.10 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 3fyu h ALA 190 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3fyu h ALA 190 CO 0.03 0.67 -0.40 0.00 0.00 0.00 0.00 179.25 179.55 3fyu h ALA 191 N 0.94 1.30 0.02 0.00 0.00 -1.03 0.30 119.26 120.78 3fyu h ALA 191 Ca 0.13 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 3fyu h ALA 191 Cb 0.70 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3fyu h ALA 191 CO 0.05 0.50 -0.94 0.00 0.00 0.00 0.00 179.25 178.86 3fyu h ALA 192 N 1.60 0.45 0.00 0.00 0.00 -1.05 -3.33 119.26 116.94 3fyu h ALA 192 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3fyu h ALA 192 Cb 0.72 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3fyu h ALA 192 CO 0.05 1.07 -1.30 1.28 0.00 0.00 0.00 179.25 180.36 3fyu n LEU 193 N -3.51 0.55 -3.96 0.00 4.77 -0.72 -4.75 117.00 109.37 3fyu n LEU 193 Ca -0.02 -0.13 -0.15 0.00 -0.03 0.00 0.00 56.01 55.68 3fyu n LEU 193 Cb 0.87 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.78 3fyu n LEU 193 CO 0.47 0.08 -0.40 -0.55 -1.33 0.00 0.00 177.39 175.66 3fyu s SER 194 N -3.89 0.56 0.00 -1.43 0.15 0.08 -5.02 113.70 104.15 3fyu s SER 194 Ca 0.01 -0.16 0.21 0.00 0.70 0.00 0.00 55.95 56.71 3fyu s SER 194 Cb 0.15 -0.04 0.56 0.00 -1.71 0.00 0.00 66.02 64.97 3fyu s SER 194 CO 0.85 0.01 1.47 -0.90 1.20 0.00 0.00 173.24 175.87 3fyu n ASP 195 N 2.72 3.42 -0.05 5.45 3.85 -1.26 -4.36 116.55 126.32 3fyu n ASP 195 Ca -0.14 -1.99 -0.11 0.00 -0.71 0.00 0.00 54.79 51.84 3fyu n ASP 195 Cb 0.58 -0.39 -0.05 0.00 -1.35 0.00 0.00 41.12 39.91 3fyu n ASP 195 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 3fyu h ILE 196 N 3.87 1.20 -3.97 2.12 2.04 -1.92 -3.43 117.51 117.41 3fyu h ILE 196 Ca 0.00 -0.62 -0.54 0.00 1.00 0.00 0.00 64.86 64.70 3fyu h ILE 196 Cb 0.88 1.26 0.11 0.00 -0.74 0.00 0.00 36.82 38.33 3fyu h ILE 196 CO 0.00 0.19 0.74 -2.84 0.00 0.00 0.00 178.15 176.24 3fyu s PRO 197 N -5.34 3.88 -0.20 2.37 0.02 -1.26 -4.68 135.00 129.79 3fyu s PRO 197 Ca -0.14 2.50 -0.14 0.00 0.02 0.00 0.00 61.00 63.24 3fyu s PRO 197 Cb 0.07 -2.81 -0.19 0.00 0.02 0.00 0.00 34.50 31.59 3fyu s PRO 197 CO 0.71 -0.69 0.10 1.17 -0.33 0.00 0.00 177.00 177.97 3fyu n LYS 198 N 0.12 0.63 -4.31 5.54 4.81 0.20 -4.89 118.16 120.26 3fyu n LYS 198 Ca 0.03 0.39 -0.16 0.00 -0.87 0.00 0.00 58.31 57.70 3fyu n LYS 198 Cb 0.40 -1.67 -0.10 0.00 0.02 0.00 0.00 35.03 33.68 3fyu n LYS 198 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3fyu s VAL 199 N -2.46 1.02 -0.03 3.15 -7.23 -1.23 -3.71 120.40 109.91 3fyu s VAL 199 Ca -0.30 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 57.85 3fyu s VAL 199 Cb 0.08 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.81 3fyu s VAL 199 CO 0.62 -0.42 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.26 3fyu s VAL 200 N -3.43 0.48 -0.14 1.32 1.01 -0.07 -2.06 120.40 117.52 3fyu s VAL 200 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3fyu s VAL 200 Cb 0.05 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.96 3fyu s VAL 200 CO 0.07 0.19 -0.12 -0.69 0.00 0.00 0.00 175.10 174.55 3fyu s VAL 201 N 0.67 1.41 -0.10 2.92 1.01 -0.48 -0.54 120.40 125.30 3fyu s VAL 201 Ca -0.09 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3fyu s VAL 201 Cb -0.12 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.94 3fyu s VAL 201 CO -0.00 0.43 -0.08 0.00 0.00 0.00 0.00 175.10 175.45 3fyu s ALA 202 N 1.52 1.25 -0.24 5.51 0.00 0.03 -2.32 121.76 127.51 3fyu s ALA 202 Ca 0.04 -0.47 -0.19 0.00 0.00 0.00 0.00 51.96 51.34 3fyu s ALA 202 Cb -0.13 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 3fyu s ALA 202 CO -0.09 -0.29 0.58 -0.51 0.00 0.00 0.00 175.76 175.45 3fyu s ASP 203 N 1.46 6.54 -0.42 0.00 1.11 -0.23 -2.35 116.67 122.79 3fyu s ASP 203 Ca 0.00 0.66 -0.07 0.00 0.18 0.00 0.00 52.55 53.32 3fyu s ASP 203 Cb -0.13 -2.32 0.01 0.00 1.07 0.00 0.00 42.92 41.55 3fyu s ASP 203 CO -0.05 -0.31 0.26 0.00 1.18 0.00 0.00 175.17 176.25 3fyu n TYR 204 N 5.48 -0.70 -1.56 4.23 0.18 0.63 0.68 117.16 126.11 3fyu n TYR 204 Ca -0.02 0.18 -0.45 0.00 1.88 0.00 0.00 57.90 59.49 3fyu n TYR 204 Cb 0.49 -1.13 -0.02 0.00 -0.38 0.00 0.00 39.34 38.31 3fyu n TYR 204 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 3fyu n PRO 205 N -1.99 1.13 -1.16 -3.48 -0.04 -1.26 -3.28 135.00 124.92 3fyu n PRO 205 Ca -0.09 0.40 -0.04 0.00 -0.04 0.00 0.00 63.50 63.72 3fyu n PRO 205 Cb 0.26 -1.72 0.02 0.00 -0.04 0.00 0.00 33.50 32.02 3fyu n PRO 205 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3fyu n TYR 206 N 0.13 -3.12 -3.95 0.54 9.36 0.10 -4.68 117.16 115.54 3fyu n TYR 206 Ca 0.11 -0.38 -0.26 0.00 3.32 0.00 0.00 57.90 60.69 3fyu n TYR 206 Cb 0.31 -0.13 -0.02 0.00 -0.63 0.00 0.00 39.34 38.88 3fyu n TYR 206 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3fyu n LEU 207 N 0.00 -2.27 -3.84 2.98 4.77 -1.26 -4.58 117.00 112.79 3fyu n LEU 207 Ca 0.03 -0.99 -0.19 0.00 -0.03 0.00 0.00 56.01 54.83 3fyu n LEU 207 Cb 0.12 -2.26 -0.16 0.00 -2.33 0.00 0.00 43.42 38.79 3fyu n LEU 207 CO 0.08 0.42 -0.39 -0.55 -1.33 0.00 0.00 177.39 175.62 3fyu s SER 208 N -4.27 0.89 -1.15 -1.43 0.15 -1.26 -1.52 113.70 105.11 3fyu s SER 208 Ca 0.07 -0.08 -0.08 0.00 0.70 0.00 0.00 55.95 56.56 3fyu s SER 208 Cb -0.04 -0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 63.87 3fyu s SER 208 CO 0.88 -0.10 0.85 -3.20 1.20 0.00 0.00 173.24 172.88 3fyu n ASN 209 N 4.28 -4.50 -0.22 5.45 5.15 -1.26 -4.63 115.26 119.53 3fyu n ASN 209 Ca -0.22 -0.80 0.02 0.00 -0.60 0.00 0.00 54.58 52.97 3fyu n ASN 209 Cb 0.51 -4.47 0.11 0.00 -0.53 0.00 0.00 39.78 35.40 3fyu n ASN 209 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 3fyu h PHE 210 N -1.57 -0.06 -0.09 1.20 0.04 -1.95 0.86 116.94 115.37 3fyu h PHE 210 Ca -0.62 0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.22 3fyu h PHE 210 Cb 1.34 0.13 -0.00 0.00 2.20 0.00 0.00 35.95 39.61 3fyu h PHE 210 CO 0.36 -0.19 0.08 0.93 -0.60 0.00 0.00 178.31 178.89 3fyu h GLU 211 N 0.11 0.00 0.06 1.51 5.08 -1.97 -2.02 114.58 117.34 3fyu h GLU 211 Ca 0.34 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.34 3fyu h GLU 211 Cb 0.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 3fyu h GLU 211 CO -0.57 0.00 -2.12 -2.13 -1.00 0.00 0.00 179.01 173.19 3fyu n ARG 212 N -4.06 0.70 -0.22 2.33 0.63 -0.51 -4.35 116.66 111.19 3fyu n ARG 212 Ca -0.01 0.21 0.02 0.00 -0.92 0.00 0.00 57.85 57.15 3fyu n ARG 212 Cb 0.19 -1.65 0.13 0.00 0.45 0.00 0.00 32.46 31.57 3fyu n ARG 212 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fyu h ALA 213 N 0.31 0.86 0.00 5.13 0.00 -0.22 0.52 119.26 125.87 3fyu h ALA 213 Ca -0.45 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3fyu h ALA 213 Cb 2.02 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.88 3fyu h ALA 213 CO 0.03 -0.20 0.00 1.33 0.00 0.00 0.00 179.25 180.42 3fyu n VAL 214 N -5.00 1.24 0.40 0.00 0.24 -0.82 -0.55 118.33 113.84 3fyu n VAL 214 Ca 0.10 0.37 0.07 0.00 -2.04 0.00 0.00 64.34 62.84 3fyu n VAL 214 Cb 0.32 -1.24 -0.09 0.00 -1.47 0.00 0.00 33.84 31.35 3fyu n VAL 214 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3fyu n ASP 215 N -1.72 1.06 -0.04 -1.34 8.00 0.06 -4.69 116.55 117.88 3fyu n ASP 215 Ca 0.02 -0.51 -0.05 0.00 0.71 0.00 0.00 54.79 54.96 3fyu n ASP 215 Cb 0.12 1.25 -0.05 0.00 -0.02 0.00 0.00 41.12 42.42 3fyu n ASP 215 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3fyu n VAL 216 N -1.59 0.49 -1.72 2.53 0.31 -0.52 -5.04 118.33 112.80 3fyu n VAL 216 Ca 0.01 -0.25 -0.40 0.00 -0.01 0.00 0.00 64.34 63.69 3fyu n VAL 216 Cb 0.28 -0.82 0.03 0.00 -0.91 0.00 0.00 33.84 32.42 3fyu n VAL 216 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fyu n ALA 217 N -2.48 1.47 0.04 3.52 0.00 0.29 -4.93 120.51 118.42 3fyu n ALA 217 Ca -0.13 0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.51 3fyu n ALA 217 Cb 0.70 -2.31 0.01 0.00 0.00 0.00 0.00 19.45 17.85 3fyu n ALA 217 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fyu n LEU 218 N -0.33 1.25 -4.20 0.00 4.77 -0.94 -4.97 117.00 112.59 3fyu n LEU 218 Ca 0.08 -1.15 -0.14 0.00 -0.03 0.00 0.00 56.01 54.77 3fyu n LEU 218 Cb 0.42 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 3fyu n LEU 218 CO 0.57 0.30 -0.12 -1.61 -1.33 0.00 0.00 177.39 175.20 3fyu s GLU 219 N -0.23 1.48 0.94 3.23 0.41 -1.18 -5.03 118.70 118.32 3fyu s GLU 219 Ca 0.02 -1.73 -0.12 0.00 -0.41 0.00 0.00 54.97 52.73 3fyu s GLU 219 Cb 0.01 0.32 0.15 0.00 -1.78 0.00 0.00 34.13 32.84 3fyu s GLU 219 CO 0.02 -0.54 1.09 -0.65 -0.49 0.00 0.00 175.26 174.69 3fyu s GLN 220 N -3.80 0.93 0.00 1.61 -1.52 -1.26 -4.09 119.66 111.52 3fyu s GLN 220 Ca 0.37 0.82 0.23 0.00 -1.95 0.00 0.00 55.36 54.83 3fyu s GLN 220 Cb 0.04 -1.77 0.24 0.00 -0.22 0.00 0.00 33.01 31.30 3fyu s GLN 220 CO 0.18 -2.47 1.27 -0.35 -0.25 0.00 0.00 175.29 173.66 3fyu n PRO 221 N -4.04 2.25 -0.33 2.91 -0.05 -1.26 -4.71 135.00 129.77 3fyu n PRO 221 Ca 0.07 -1.97 -0.00 0.00 -0.05 0.00 0.00 63.50 61.54 3fyu n PRO 221 Cb 0.55 -1.45 0.13 0.00 -0.05 0.00 0.00 33.50 32.68 3fyu n PRO 221 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 3fyu h TYR 222 N 4.45 1.08 0.00 0.54 0.05 -1.86 -1.21 116.97 120.02 3fyu h TYR 222 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3fyu h TYR 222 Cb 0.96 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 38.34 3fyu h TYR 222 CO 0.06 0.60 0.00 1.28 -1.05 0.00 0.00 178.16 179.06 3fyu n LEU 223 N -4.54 0.09 0.09 3.88 4.77 -1.26 -1.18 117.00 118.86 3fyu n LEU 223 Ca 0.12 0.54 0.05 0.00 -0.03 0.00 0.00 56.01 56.69 3fyu n LEU 223 Cb 0.12 -0.55 0.49 0.00 -2.33 0.00 0.00 43.42 41.14 3fyu n LEU 223 CO 0.33 -0.56 1.11 -0.33 -1.33 0.00 0.00 177.39 176.61 3fyu h GLU 224 N 0.00 0.36 -0.31 3.23 5.08 -1.58 0.88 114.58 122.24 3fyu h GLU 224 Ca 0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3fyu h GLU 224 Cb 0.01 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3fyu h GLU 224 CO 0.00 0.25 0.07 0.82 -1.00 0.00 0.00 179.01 179.16 3fyu h ILE 225 N 0.36 1.22 -0.62 3.13 2.04 -1.34 0.26 117.51 122.57 3fyu h ILE 225 Ca 0.10 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.25 3fyu h ILE 225 Cb -0.01 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3fyu h ILE 225 CO -0.02 0.24 0.38 0.78 0.00 0.00 0.00 178.15 179.53 3fyu h ASN 226 N 0.33 0.62 -0.68 1.72 4.21 -1.24 -1.11 115.58 119.43 3fyu h ASN 226 Ca 0.10 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.59 3fyu h ASN 226 Cb 0.29 -0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 37.33 3fyu h ASN 226 CO 0.00 0.43 0.38 0.28 -1.29 0.00 0.00 177.43 177.23 3fyu h SER 227 N 0.74 0.86 -0.15 5.81 0.02 -0.54 -1.61 113.55 118.69 3fyu h SER 227 Ca 0.25 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3fyu h SER 227 Cb 0.02 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3fyu h SER 227 CO -0.10 0.70 0.07 0.22 -1.14 0.00 0.00 176.83 176.58 3fyu h TYR 228 N 0.97 0.21 -0.10 3.45 3.20 0.22 -2.66 116.97 122.27 3fyu h TYR 228 Ca 0.25 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 3fyu h TYR 228 Cb 0.03 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3fyu h TYR 228 CO 0.01 0.26 -0.13 0.74 -1.64 0.00 0.00 178.16 177.39 3fyu h PHE 229 N 0.11 0.16 -0.15 -3.82 0.04 -0.87 -1.25 116.94 111.16 3fyu h PHE 229 Ca 0.05 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 3fyu h PHE 229 Cb 0.13 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 3fyu h PHE 229 CO -0.03 0.30 -0.08 0.00 -0.60 0.00 0.00 178.31 177.90 3fyu h ARG 230 N 0.15 0.23 0.00 1.51 3.08 -0.98 -2.36 114.38 116.01 3fyu h ARG 230 Ca 0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3fyu h ARG 230 Cb 0.34 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3fyu h ARG 230 CO 0.02 0.32 -0.56 0.54 -1.07 0.00 0.00 179.97 179.22 3fyu n ARG 231 N -4.33 0.10 -3.46 0.04 1.74 -0.56 -4.51 116.66 105.69 3fyu n ARG 231 Ca -0.01 0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.82 3fyu n ARG 231 Cb 0.22 -1.56 -0.11 0.00 -1.02 0.00 0.00 32.46 30.00 3fyu n ARG 231 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3fyu s ASN 232 N -3.40 2.26 0.32 0.55 -0.87 -0.68 -5.00 114.94 108.13 3fyu s ASN 232 Ca 0.09 -2.75 0.24 0.00 -1.57 0.00 0.00 52.86 48.87 3fyu s ASN 232 Cb 0.16 -0.51 1.17 0.00 -0.02 0.00 0.00 41.25 42.05 3fyu s ASN 232 CO 0.71 -0.22 1.73 0.77 -2.57 0.00 0.00 177.10 177.52 3fyu h SER 233 N 6.19 0.00 -1.68 -1.22 4.64 -1.77 -3.43 113.55 116.29 3fyu h SER 233 Ca 0.17 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.81 3fyu h SER 233 Cb 0.93 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3fyu h SER 233 CO 0.35 0.00 1.07 -0.67 -0.87 0.00 0.00 176.83 176.71 3fyu n ASP 234 N -2.33 2.80 -0.33 4.97 -0.08 -1.26 -4.83 116.55 115.48 3fyu n ASP 234 Ca 0.00 0.93 0.09 0.00 -1.51 0.00 0.00 54.79 54.30 3fyu n ASP 234 Cb 0.13 -1.26 0.29 0.00 2.34 0.00 0.00 41.12 42.63 3fyu n ASP 234 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3fyu h PRO 235 N 8.89 0.86 0.00 -0.67 0.11 -2.00 0.16 132.00 139.34 3fyu h PRO 235 Ca -0.44 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3fyu h PRO 235 Cb 1.30 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3fyu h PRO 235 CO 0.97 0.57 -0.20 0.87 -0.21 0.00 0.00 178.00 179.99 3fyu h LYS 236 N 0.88 0.00 -0.50 1.05 1.57 -1.97 -2.11 116.57 115.49 3fyu h LYS 236 Ca 0.48 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.18 3fyu h LYS 236 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3fyu h LYS 236 CO -0.24 0.20 -0.02 0.28 -0.57 0.00 0.00 179.45 179.10 3fyu h VAL 237 N 0.00 1.25 -0.30 0.50 2.07 -1.30 -0.44 116.25 118.03 3fyu h VAL 237 Ca -0.00 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 3fyu h VAL 237 Cb 0.36 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3fyu h VAL 237 CO 0.03 0.37 -0.14 -0.08 0.02 0.00 0.00 177.57 177.77 3fyu h GLU 238 N 0.78 0.63 -0.08 1.57 4.81 -1.28 0.78 114.58 121.79 3fyu h GLU 238 Ca 0.15 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3fyu h GLU 238 Cb 0.49 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3fyu h GLU 238 CO 0.02 0.86 0.04 0.93 -0.73 0.00 0.00 179.01 180.13 3fyu h GLU 239 N 0.39 0.09 0.04 1.92 5.08 -1.25 -2.02 114.58 118.82 3fyu h GLU 239 Ca 0.07 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3fyu h GLU 239 Cb 0.67 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3fyu h GLU 239 CO 0.04 0.06 -0.14 -0.22 -1.00 0.00 0.00 179.01 177.76 3fyu h LYS 240 N 0.09 -0.24 -0.29 2.33 1.63 -0.97 -0.57 116.57 118.55 3fyu h LYS 240 Ca 0.03 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.92 3fyu h LYS 240 Cb 0.00 0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 31.61 3fyu h LYS 240 CO -0.02 -0.16 -0.20 0.00 -3.45 0.00 0.00 179.45 175.62 3fyu h ALA 241 N 0.67 -0.02 -0.12 5.00 0.00 -0.65 0.18 119.26 124.32 3fyu h ALA 241 Ca 0.03 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3fyu h ALA 241 Cb 0.29 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3fyu h ALA 241 CO -0.11 -0.61 -0.15 0.74 0.00 0.00 0.00 179.25 179.13 3fyu h PHE 242 N -0.18 0.21 -0.31 0.00 -1.00 -1.23 0.11 116.94 114.54 3fyu h PHE 242 Ca 0.15 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 3fyu h PHE 242 Cb 0.42 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 3fyu h PHE 242 CO -0.39 0.34 0.15 1.49 -1.61 0.00 0.00 178.31 178.30 3fyu h GLU 243 N 0.19 0.45 -0.04 1.51 4.81 0.63 -1.67 114.58 120.45 3fyu h GLU 243 Ca 0.04 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3fyu h GLU 243 Cb 0.38 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 3fyu h GLU 243 CO 0.02 0.42 0.02 1.15 -0.73 0.00 0.00 179.01 179.90 3fyu h THR 244 N 0.37 1.11 -0.16 0.32 2.02 0.19 -2.97 112.91 113.79 3fyu h THR 244 Ca 0.11 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 67.00 3fyu h THR 244 Cb 0.12 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 3fyu h THR 244 CO -0.01 0.09 0.11 -0.07 0.37 0.00 0.00 175.52 176.01 3fyu h LEU 245 N -0.07 0.01 -2.06 2.58 3.38 -0.63 -2.36 115.31 116.15 3fyu h LEU 245 Ca 0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3fyu h LEU 245 Cb 0.13 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3fyu h LEU 245 CO -0.00 0.01 -0.01 0.77 0.09 0.00 0.00 178.44 179.30 3fyu h SER 246 N 0.01 0.00 0.78 -0.43 4.64 -1.13 -0.37 113.55 117.05 3fyu h SER 246 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3fyu h SER 246 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3fyu h SER 246 CO -0.00 0.01 0.00 -1.22 -0.87 0.00 0.00 176.83 174.75 3fyu n TYR 247 N -4.41 0.51 0.01 4.77 4.01 -0.89 -2.99 117.16 118.16 3fyu n TYR 247 Ca -0.03 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 3fyu n TYR 247 Cb 0.10 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.32 3fyu n TYR 247 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3fyu n PHE 248 N -1.96 0.00 -2.15 -0.72 3.72 -0.29 -4.98 117.46 111.09 3fyu n PHE 248 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 3fyu n PHE 248 Cb 0.25 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.76 3fyu n PHE 248 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3fyu s ASP 249 N -0.31 6.80 0.54 4.37 -1.08 -0.40 -4.90 116.67 121.68 3fyu s ASP 249 Ca 0.00 2.32 0.22 0.00 -0.52 0.00 0.00 52.55 54.57 3fyu s ASP 249 Cb 0.00 -2.58 1.39 0.00 -1.46 0.00 0.00 42.92 40.27 3fyu s ASP 249 CO 0.00 -0.69 2.07 -0.07 0.52 0.00 0.00 175.17 177.01 3fyu h LEU 250 N 7.22 0.00 -1.27 -1.34 3.38 -1.58 -0.25 115.31 121.46 3fyu h LEU 250 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3fyu h LEU 250 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3fyu h LEU 250 CO 0.88 0.00 0.00 0.16 0.09 0.00 0.00 178.44 179.57 3fyu h ILE 251 N 0.00 0.00 0.00 1.22 3.07 -1.87 0.43 117.51 120.36 3fyu h ILE 251 Ca 0.13 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 66.31 3fyu h ILE 251 Cb 0.53 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.08 3fyu h ILE 251 CO -0.00 0.00 -1.88 0.59 -1.05 0.00 0.00 178.15 175.81 3fyu n ASN 252 N -2.53 0.40 -0.05 2.16 3.02 -0.14 -4.45 115.26 113.67 3fyu n ASN 252 Ca 0.01 -0.04 -0.14 0.00 -0.03 0.00 0.00 54.58 54.38 3fyu n ASN 252 Cb 0.19 1.89 -0.14 0.00 -0.61 0.00 0.00 39.78 41.11 3fyu n ASN 252 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fyu n LEU 253 N -2.17 1.45 -0.32 3.41 4.77 -0.88 -4.44 117.00 118.82 3fyu n LEU 253 Ca -0.03 0.17 0.13 0.00 -0.03 0.00 0.00 56.01 56.25 3fyu n LEU 253 Cb 0.52 -0.25 0.27 0.00 -2.33 0.00 0.00 43.42 41.63 3fyu n LEU 253 CO 0.42 0.62 0.83 0.00 -1.33 0.00 0.00 177.39 177.94 3fyu h ALA 254 N 0.61 1.13 -0.12 -1.18 0.00 -0.37 0.95 119.26 120.28 3fyu h ALA 254 Ca -0.43 0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3fyu h ALA 254 Cb 2.06 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 20.36 3fyu h ALA 254 CO 0.04 -0.53 0.35 0.78 0.00 0.00 0.00 179.25 179.89 3fyu h GLY 255 N 0.06 0.00 1.22 0.00 0.00 -1.76 0.33 103.07 102.92 3fyu h GLY 255 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 3fyu h GLY 255 CO -0.83 0.00 -0.39 0.79 0.00 0.00 0.00 176.54 176.11 3fyu n TRP 256 N -3.16 0.00 -2.43 5.60 8.01 0.33 -4.76 117.44 121.04 3fyu n TRP 256 Ca 0.01 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.77 3fyu n TRP 256 Cb 0.43 -0.30 -0.02 0.00 -2.01 0.00 0.00 31.31 29.40 3fyu n TRP 256 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3fyu s VAL 257 N -3.00 4.25 -0.35 -0.99 1.01 0.10 -4.64 120.40 116.78 3fyu s VAL 257 Ca 0.12 1.54 0.07 0.00 0.00 0.00 0.00 61.98 63.70 3fyu s VAL 257 Cb 0.18 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 3fyu s VAL 257 CO 0.66 -0.08 0.31 0.29 0.00 0.00 0.00 175.10 176.29 3fyu n LYS 258 N 6.00 4.49 -2.93 2.72 4.76 -1.26 -4.44 118.16 127.50 3fyu n LYS 258 Ca 0.13 -0.07 -0.33 0.00 -2.87 0.00 0.00 58.31 55.17 3fyu n LYS 258 Cb 0.45 -0.83 -0.07 0.00 -1.84 0.00 0.00 35.03 32.74 3fyu n LYS 258 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3fyu s GLN 259 N -1.55 4.14 0.24 1.97 1.11 -1.26 -4.62 119.66 119.69 3fyu s GLN 259 Ca 0.03 0.95 -0.31 0.00 0.01 0.00 0.00 55.36 56.03 3fyu s GLN 259 Cb 0.05 -2.27 -0.13 0.00 -1.01 0.00 0.00 33.01 29.65 3fyu s GLN 259 CO 0.26 0.03 1.52 -2.30 0.01 0.00 0.00 175.29 174.81 3fyu n PRO 260 N -0.57 2.32 -4.62 2.91 -0.02 -1.24 -4.45 135.00 129.33 3fyu n PRO 260 Ca 0.06 0.83 -0.23 0.00 -2.02 0.00 0.00 63.50 62.14 3fyu n PRO 260 Cb 0.54 -2.56 -0.15 0.00 -0.02 0.00 0.00 33.50 31.30 3fyu n PRO 260 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3fyu s THR 261 N 0.20 1.10 -0.14 3.45 2.01 0.11 -0.89 115.64 121.49 3fyu s THR 261 Ca 0.69 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 62.15 3fyu s THR 261 Cb -0.59 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 70.99 3fyu s THR 261 CO 0.46 0.32 -0.19 -0.22 -0.69 0.00 0.00 174.62 174.30 3fyu s LEU 262 N -0.04 1.96 0.25 4.42 2.96 0.30 -1.50 118.68 127.04 3fyu s LEU 262 Ca -0.00 -0.55 0.09 0.00 -0.22 0.00 0.00 54.13 53.45 3fyu s LEU 262 Cb -0.08 -1.33 -0.05 0.00 0.50 0.00 0.00 46.19 45.23 3fyu s LEU 262 CO 0.01 0.04 -0.15 -0.04 -1.32 0.00 0.00 176.35 174.88 3fyu s MET 263 N 1.00 1.51 0.05 1.98 -1.94 -0.13 -0.79 119.30 120.99 3fyu s MET 263 Ca -0.04 -1.70 0.01 0.00 -1.71 0.00 0.00 55.69 52.25 3fyu s MET 263 Cb -0.15 -1.39 -0.03 0.00 2.01 0.00 0.00 34.83 35.28 3fyu s MET 263 CO -0.04 0.21 -0.05 0.00 -0.01 0.00 0.00 175.02 175.13 3fyu s ALA 264 N -2.80 0.52 -0.24 3.03 0.00 -0.99 -0.10 121.76 121.18 3fyu s ALA 264 Ca 0.27 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 51.09 3fyu s ALA 264 Cb -0.01 0.16 0.07 0.00 0.00 0.00 0.00 23.12 23.34 3fyu s ALA 264 CO 0.11 -0.20 0.61 -1.50 0.00 0.00 0.00 175.76 174.78 3fyu s ILE 265 N -2.62 -0.01 -0.10 0.00 1.10 -0.58 -0.27 121.20 118.73 3fyu s ILE 265 Ca -0.02 0.02 -0.12 0.00 -0.51 0.00 0.00 60.65 60.02 3fyu s ILE 265 Cb -0.02 -0.88 -0.05 0.00 0.15 0.00 0.00 42.46 41.66 3fyu s ILE 265 CO -0.04 0.01 0.28 -0.83 -2.11 0.00 0.00 174.94 172.25 3fyu s GLY 266 N 1.20 2.27 0.15 1.50 0.00 -1.26 -1.05 107.32 110.14 3fyu s GLY 266 Ca -0.07 -0.44 0.21 0.00 0.00 0.00 0.00 44.72 44.43 3fyu s GLY 266 CO -0.12 0.12 1.66 1.04 0.00 0.00 0.00 173.10 175.80 3fyu n LEU 267 N 2.62 0.42 -1.13 0.66 4.77 -0.58 -2.53 117.00 121.22 3fyu n LEU 267 Ca -0.15 0.59 0.01 0.00 -0.03 0.00 0.00 56.01 56.43 3fyu n LEU 267 Cb 0.53 -0.51 0.24 0.00 -2.33 0.00 0.00 43.42 41.34 3fyu n LEU 267 CO 0.37 -0.37 0.75 2.30 -1.33 0.00 0.00 177.39 179.11 3fyu n ILE 268 N -1.94 2.48 -2.37 -0.08 -5.35 -0.95 -4.46 119.36 106.68 3fyu n ILE 268 Ca 0.03 -2.19 -0.43 0.00 -0.27 0.00 0.00 62.75 59.90 3fyu n ILE 268 Cb 0.24 -0.30 -0.02 0.00 -1.74 0.00 0.00 39.64 37.82 3fyu n ILE 268 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3fyu s ASP 269 N -2.07 6.76 0.00 7.28 -1.08 -1.05 -4.56 116.67 121.95 3fyu s ASP 269 Ca 0.45 1.50 0.23 0.00 -0.52 0.00 0.00 52.55 54.20 3fyu s ASP 269 Cb 0.38 -2.54 0.06 0.00 -1.46 0.00 0.00 42.92 39.36 3fyu s ASP 269 CO 0.06 -0.96 1.11 0.29 0.52 0.00 0.00 175.17 176.19 3fyu n LYS 270 N 7.05 0.54 -0.10 4.34 5.02 -1.26 -3.78 118.16 129.97 3fyu n LYS 270 Ca 0.15 -0.42 -0.21 0.00 -2.02 0.00 0.00 58.31 55.81 3fyu n LYS 270 Cb 0.46 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.86 3fyu n LYS 270 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3fyu h ILE 271 N 1.03 0.86 -3.32 -0.18 2.04 -1.87 -2.47 117.51 113.60 3fyu h ILE 271 Ca 0.00 -2.11 -0.65 0.00 1.00 0.00 0.00 64.86 63.10 3fyu h ILE 271 Cb 0.59 2.09 -0.40 0.00 -0.74 0.00 0.00 36.82 38.36 3fyu h ILE 271 CO 0.00 0.29 -0.53 0.42 0.00 0.00 0.00 178.15 178.33 3fyu s THR 272 N -2.36 3.00 0.26 -0.27 -4.23 -1.26 -4.75 115.64 106.04 3fyu s THR 272 Ca -0.28 -3.58 -0.29 0.00 -1.18 0.00 0.00 61.69 56.36 3fyu s THR 272 Cb 0.06 -3.00 -0.14 0.00 1.34 0.00 0.00 72.50 70.75 3fyu s THR 272 CO 0.57 -0.89 1.10 -2.65 -0.54 0.00 0.00 174.62 172.20 3fyu n PRO 273 N 2.79 1.42 -0.29 3.99 -0.02 -1.25 -4.76 135.00 136.88 3fyu n PRO 273 Ca 0.11 0.50 0.07 0.00 -2.02 0.00 0.00 63.50 62.16 3fyu n PRO 273 Cb 0.34 -1.94 0.18 0.00 -0.02 0.00 0.00 33.50 32.07 3fyu n PRO 273 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3fyu h PRO 274 N 2.53 0.06 -0.81 0.52 0.11 -1.81 0.16 132.00 132.76 3fyu h PRO 274 Ca -0.41 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.82 3fyu h PRO 274 Cb 1.33 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.34 3fyu h PRO 274 CO 0.64 0.04 0.42 0.66 -0.21 0.00 0.00 178.00 179.55 3fyu h SER 275 N 0.06 0.53 0.50 -2.05 4.64 -1.92 0.26 113.55 115.57 3fyu h SER 275 Ca 0.46 0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.77 3fyu h SER 275 Cb 0.83 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 3fyu h SER 275 CO -0.77 0.26 -0.40 0.71 -0.87 0.00 0.00 176.83 175.75 3fyu h THR 276 N 0.64 1.18 0.17 2.95 1.35 -1.27 -0.34 112.91 117.60 3fyu h THR 276 Ca 0.42 -1.42 -0.26 0.00 -0.55 0.00 0.00 66.41 64.60 3fyu h THR 276 Cb 0.53 1.79 0.03 0.00 -1.73 0.00 0.00 68.15 68.76 3fyu h THR 276 CO -0.32 0.39 -1.12 0.58 -0.25 0.00 0.00 175.52 174.80 3fyu h VAL 277 N 0.00 1.38 -0.15 6.82 2.07 -0.82 -2.95 116.25 122.61 3fyu h VAL 277 Ca -0.00 -2.56 -0.05 0.00 0.82 0.00 0.00 66.70 64.91 3fyu h VAL 277 Cb 0.76 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.54 3fyu h VAL 277 CO 0.05 0.75 -0.13 -0.26 0.02 0.00 0.00 177.57 178.00 3fyu h PHE 278 N -0.06 0.25 -0.39 1.57 -1.00 -0.46 -1.11 116.94 115.74 3fyu h PHE 278 Ca -0.19 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.56 3fyu h PHE 278 Cb 1.87 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 41.34 3fyu h PHE 278 CO 0.16 0.37 0.24 0.00 -1.61 0.00 0.00 178.31 177.47 3fyu h ALA 279 N 1.64 0.50 -0.18 2.45 0.00 -1.05 0.46 119.26 123.08 3fyu h ALA 279 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3fyu h ALA 279 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3fyu h ALA 279 CO 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 179.25 179.27 3fyu h ALA 280 N 1.11 0.24 -0.57 0.00 0.00 -1.25 -2.86 119.26 115.92 3fyu h ALA 280 Ca 0.14 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3fyu h ALA 280 Cb -0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3fyu h ALA 280 CO -0.03 -0.06 0.33 -0.92 0.00 0.00 0.00 179.25 178.58 3fyu h TYR 281 N 0.08 0.62 0.00 0.00 3.20 -0.89 -1.78 116.97 118.20 3fyu h TYR 281 Ca 0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3fyu h TYR 281 Cb 0.37 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3fyu h TYR 281 CO 0.03 0.34 0.00 0.09 -1.64 0.00 0.00 178.16 176.98 3fyu n ASN 282 N -4.78 0.00 -0.52 -2.11 3.02 0.16 -1.82 115.26 109.21 3fyu n ASN 282 Ca 0.05 0.29 0.11 0.00 -0.03 0.00 0.00 54.58 55.00 3fyu n ASN 282 Cb 0.10 -0.39 0.03 0.00 -0.61 0.00 0.00 39.78 38.91 3fyu n ASN 282 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3fyu n HIS 283 N -1.39 0.00 -2.80 3.10 8.25 -0.68 -4.91 115.22 116.79 3fyu n HIS 283 Ca 0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.10 3fyu n HIS 283 Cb 0.14 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 3fyu n HIS 283 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fyu s LEU 284 N -2.44 4.37 -0.58 2.41 1.43 -0.75 -3.07 118.68 120.05 3fyu s LEU 284 Ca 0.20 1.56 0.04 0.00 -1.03 0.00 0.00 54.13 54.90 3fyu s LEU 284 Cb 0.18 -3.45 0.15 0.00 0.03 0.00 0.00 46.19 43.11 3fyu s LEU 284 CO 0.55 -0.20 0.36 -1.61 0.23 0.00 0.00 176.35 175.68 3fyu s GLU 285 N 0.82 1.99 0.14 1.70 2.02 -1.26 -5.01 118.70 119.11 3fyu s GLU 285 Ca 0.48 -2.79 -0.24 0.00 0.02 0.00 0.00 54.97 52.44 3fyu s GLU 285 Cb -0.20 -3.07 0.08 0.00 0.10 0.00 0.00 34.13 31.04 3fyu s GLU 285 CO 0.26 -1.21 1.06 -0.08 0.02 0.00 0.00 175.26 175.30 3fyu s THR 286 N -0.65 0.00 -0.18 3.63 -1.32 -1.26 -4.75 115.64 111.11 3fyu s THR 286 Ca 0.21 -0.55 -0.29 0.00 -1.21 0.00 0.00 61.69 59.86 3fyu s THR 286 Cb -0.15 -2.56 -0.05 0.00 -1.51 0.00 0.00 72.50 68.24 3fyu s THR 286 CO -0.08 0.00 2.04 -0.62 -2.21 0.00 0.00 174.62 173.75 3fyu s ASP 287 N -3.26 5.82 0.19 8.08 -1.08 -1.26 -4.90 116.67 120.26 3fyu s ASP 287 Ca 0.19 1.94 -0.05 0.00 -0.52 0.00 0.00 52.55 54.11 3fyu s ASP 287 Cb -0.01 -2.52 -0.03 0.00 -1.46 0.00 0.00 42.92 38.90 3fyu s ASP 287 CO 0.03 -1.67 0.22 -1.59 0.52 0.00 0.00 175.17 172.68 3fyu s LYS 288 N 5.69 1.23 -0.28 4.34 -2.85 -1.26 0.08 119.74 126.68 3fyu s LYS 288 Ca 0.92 -1.45 -0.20 0.00 -1.00 0.00 0.00 55.97 54.24 3fyu s LYS 288 Cb -0.33 0.33 0.10 0.00 -2.06 0.00 0.00 37.83 35.87 3fyu s LYS 288 CO 0.35 -0.43 0.84 0.34 0.10 0.00 0.00 175.35 176.55 3fyu s ASP 289 N -3.08 -0.70 -0.25 0.03 2.15 -0.56 -4.94 116.67 109.32 3fyu s ASP 289 Ca 0.30 1.20 -0.01 0.00 0.43 0.00 0.00 52.55 54.47 3fyu s ASP 289 Cb 0.05 1.26 0.03 0.00 -0.30 0.00 0.00 42.92 43.96 3fyu s ASP 289 CO 0.08 -0.20 -0.07 -0.22 -0.17 0.00 0.00 175.17 174.59 3fyu s LEU 290 N 1.02 3.17 -0.27 -1.34 2.96 -1.26 -0.95 118.68 122.00 3fyu s LEU 290 Ca -0.05 -0.93 -0.24 0.00 -0.22 0.00 0.00 54.13 52.69 3fyu s LEU 290 Cb -0.05 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 45.00 3fyu s LEU 290 CO -0.12 -0.13 0.80 -0.54 -1.32 0.00 0.00 176.35 175.05 3fyu s LYS 291 N 1.29 4.07 -0.20 1.98 -0.14 0.86 -4.96 119.74 122.65 3fyu s LYS 291 Ca -0.01 0.76 -0.09 0.00 -1.36 0.00 0.00 55.97 55.27 3fyu s LYS 291 Cb -0.17 -3.69 -0.05 0.00 -1.68 0.00 0.00 37.83 32.25 3fyu s LYS 291 CO -0.05 -0.60 0.11 0.08 -0.76 0.00 0.00 175.35 174.13 3fyu s VAL 292 N 2.90 5.14 -0.32 3.17 1.01 -1.26 -1.53 120.40 129.51 3fyu s VAL 292 Ca 0.33 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.45 3fyu s VAL 292 Cb -0.15 -3.35 0.09 0.00 0.00 0.00 0.00 36.38 32.97 3fyu s VAL 292 CO 0.10 0.42 0.01 -0.31 0.00 0.00 0.00 175.10 175.32 3fyu s TYR 293 N 0.56 3.57 0.23 5.22 2.02 -0.21 -4.98 117.35 123.76 3fyu s TYR 293 Ca 0.06 -2.78 -0.06 0.00 -0.37 0.00 0.00 57.07 53.92 3fyu s TYR 293 Cb -0.12 -2.62 0.38 0.00 -0.40 0.00 0.00 41.96 39.20 3fyu s TYR 293 CO 0.00 -0.93 1.75 -0.09 -1.57 0.00 0.00 175.55 174.72 3fyu h ARG 294 N 7.67 0.48 -0.56 -0.62 9.65 -1.95 -1.52 114.38 127.53 3fyu h ARG 294 Ca -0.08 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3fyu h ARG 294 Cb 1.03 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 3fyu h ARG 294 CO 0.50 0.32 0.00 0.66 2.80 0.00 0.00 179.97 184.25 3fyu n TYR 295 N -4.95 0.86 -4.46 2.20 4.01 -1.26 -4.00 117.16 109.56 3fyu n TYR 295 Ca 0.12 -0.37 -0.24 0.00 -0.16 0.00 0.00 57.90 57.24 3fyu n TYR 295 Cb 0.34 -0.10 -0.10 0.00 -0.31 0.00 0.00 39.34 39.17 3fyu n TYR 295 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3fyu s PHE 296 N -1.55 2.30 0.00 -0.72 0.40 -1.15 -4.96 117.98 112.30 3fyu s PHE 296 Ca 0.34 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 3fyu s PHE 296 Cb 0.20 -1.01 0.00 0.00 0.51 0.00 0.00 43.02 42.72 3fyu s PHE 296 CO 0.20 0.69 0.00 0.41 0.70 0.00 0.00 175.22 177.22 3fyu n GLY 297 N -0.53 4.58 3.52 4.36 0.00 -1.26 -2.23 105.19 113.63 3fyu n GLY 297 Ca -0.06 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 3fyu n GLY 297 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fyu s HIS 298 N 3.90 3.07 0.30 1.61 2.46 -1.26 -4.36 115.29 121.01 3fyu s HIS 298 Ca 0.00 -1.74 -0.18 0.00 0.47 0.00 0.00 55.06 53.61 3fyu s HIS 298 Cb 0.00 -4.54 0.07 0.00 -0.13 0.00 0.00 32.58 27.98 3fyu s HIS 298 CO 0.00 -1.63 0.91 -1.83 -2.47 0.00 0.00 174.74 169.71 3fyu s GLU 299 N 3.12 1.83 0.10 2.88 -1.05 -1.26 -5.07 118.70 119.25 3fyu s GLU 299 Ca 0.47 -1.18 -0.31 0.00 -0.15 0.00 0.00 54.97 53.80 3fyu s GLU 299 Cb 0.00 0.51 -0.08 0.00 -0.44 0.00 0.00 34.13 34.12 3fyu s GLU 299 CO 0.02 -0.86 1.40 0.12 0.95 0.00 0.00 175.26 176.89 3fyu s PHE 300 N -2.20 3.18 -0.37 4.83 5.36 -1.26 -4.99 117.98 122.53 3fyu s PHE 300 Ca 0.19 0.92 -0.02 0.00 -0.96 0.00 0.00 56.93 57.06 3fyu s PHE 300 Cb -0.04 -3.69 0.09 0.00 -0.34 0.00 0.00 43.02 39.05 3fyu s PHE 300 CO 0.09 -2.43 0.14 0.42 -1.46 0.00 0.00 175.22 171.98 3fyu s ILE 301 N 1.29 3.12 0.23 3.12 1.01 -1.26 -5.01 121.20 123.69 3fyu s ILE 301 Ca 0.65 -1.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.28 3fyu s ILE 301 Cb -0.36 -3.06 0.28 0.00 0.01 0.00 0.00 42.46 39.32 3fyu s ILE 301 CO 0.30 -0.53 1.62 -0.65 0.00 0.00 0.00 174.94 175.68 3fyu h PRO 302 N 7.99 0.03 -0.69 2.79 0.11 -2.01 -0.26 132.00 139.97 3fyu h PRO 302 Ca -0.14 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.02 3fyu h PRO 302 Cb 1.05 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 3fyu h PRO 302 CO 0.64 0.02 0.45 0.00 -0.21 0.00 0.00 178.00 178.90 3fyu h ALA 303 N 1.70 1.69 0.00 -0.75 0.00 -2.01 -0.77 119.26 119.12 3fyu h ALA 303 Ca 0.36 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3fyu h ALA 303 Cb 0.58 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3fyu h ALA 303 CO -0.71 0.21 -0.16 0.35 0.00 0.00 0.00 179.25 178.95 3fyu h PHE 304 N 0.75 0.00 -0.38 0.00 3.57 -1.49 -2.84 116.94 116.55 3fyu h PHE 304 Ca 0.29 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 3fyu h PHE 304 Cb 0.20 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3fyu h PHE 304 CO -0.00 0.16 0.05 0.37 -2.23 0.00 0.00 178.31 176.66 3fyu h GLN 305 N 0.00 0.63 0.10 1.11 5.75 -0.67 0.14 115.11 122.18 3fyu h GLN 305 Ca -0.00 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 3fyu h GLN 305 Cb 0.81 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 3fyu h GLN 305 CO 0.02 0.70 -0.10 1.15 -2.65 0.00 0.00 178.83 177.95 3fyu h THR 306 N 0.47 0.78 -0.45 2.39 2.02 -1.40 0.21 112.91 116.93 3fyu h THR 306 Ca 0.11 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.38 3fyu h THR 306 Cb 0.38 0.78 -0.09 0.00 -1.74 0.00 0.00 68.15 67.48 3fyu h THR 306 CO 0.01 0.00 -0.12 -0.33 0.37 0.00 0.00 175.52 175.45 3fyu h GLU 307 N -0.22 -0.01 0.08 6.66 4.39 -1.30 0.19 114.58 124.38 3fyu h GLU 307 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3fyu h GLU 307 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3fyu h GLU 307 CO -0.02 -0.01 -0.10 -0.22 -1.16 0.00 0.00 179.01 177.49 3fyu h LYS 308 N -0.01 -0.21 -0.87 2.33 3.64 -0.17 0.17 116.57 121.45 3fyu h LYS 308 Ca 0.22 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3fyu h LYS 308 Cb 0.34 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 3fyu h LYS 308 CO -0.47 -0.14 0.53 -0.07 -2.27 0.00 0.00 179.45 177.03 3fyu h LEU 309 N -0.22 1.03 -0.54 5.20 3.38 -0.05 -0.18 115.31 123.93 3fyu h LEU 309 Ca 0.01 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 3fyu h LEU 309 Cb 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3fyu h LEU 309 CO -0.04 0.78 -0.11 -1.28 0.09 0.00 0.00 178.44 177.88 3fyu h SER 310 N 1.19 1.03 -0.08 -0.43 0.87 -0.34 -0.28 113.55 115.51 3fyu h SER 310 Ca 0.31 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3fyu h SER 310 Cb -0.07 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.61 3fyu h SER 310 CO -0.06 1.14 -0.01 0.15 -0.53 0.00 0.00 176.83 177.52 3fyu h PHE 311 N 0.90 0.15 -0.55 2.24 3.04 -0.23 -1.76 116.94 120.74 3fyu h PHE 311 Ca 0.14 -0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.00 3fyu h PHE 311 Cb 0.68 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.12 3fyu h PHE 311 CO 0.05 0.43 0.11 -0.07 -2.02 0.00 0.00 178.31 176.81 3fyu h LEU 312 N -0.17 0.80 -0.34 0.59 3.38 -1.00 -1.97 115.31 116.60 3fyu h LEU 312 Ca 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3fyu h LEU 312 Cb 0.38 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3fyu h LEU 312 CO 0.01 0.80 0.16 -0.61 0.09 0.00 0.00 178.44 178.88 3fyu h GLN 313 N 0.82 0.50 -0.65 1.13 4.15 -0.96 0.20 115.11 120.28 3fyu h GLN 313 Ca 0.18 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 3fyu h GLN 313 Cb 0.33 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 3fyu h GLN 313 CO 0.00 0.47 0.13 -0.22 -1.93 0.00 0.00 178.83 177.28 3fyu h LYS 314 N 0.41 1.05 0.00 1.69 3.64 -1.08 -2.03 116.57 120.25 3fyu h LYS 314 Ca 0.12 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 3fyu h LYS 314 Cb 0.14 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3fyu h LYS 314 CO -0.01 0.95 -1.25 0.72 -2.27 0.00 0.00 179.45 177.59 3fyu n HIS 315 N -4.23 0.80 0.00 1.91 8.25 -0.76 -4.75 115.22 116.44 3fyu n HIS 315 Ca 0.05 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 3fyu n HIS 315 Cb 0.27 -0.90 0.00 0.00 1.12 0.00 0.00 29.99 30.48 3fyu n HIS 315 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3fyu n LEU 316 N -2.64 0.66 0.00 2.41 4.77 0.67 -4.97 117.00 117.90 3fyu n LEU 316 Ca -0.03 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.11 3fyu n LEU 316 Cb 0.60 0.00 0.91 0.00 -2.33 0.00 0.00 43.42 42.60 3fyu n LEU 316 CO 0.41 0.05 1.07 -0.11 -1.33 0.00 0.00 177.39 177.48