#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bd0 n VAL 6 N 0.00 0.82 -4.70 2.52 0.24 -1.26 -4.71 118.33 111.24 3bd0 n VAL 6 Ca 0.00 -0.65 -0.33 0.00 -2.04 0.00 0.00 64.34 61.32 3bd0 n VAL 6 Cb 0.00 -0.43 -0.13 0.00 -1.47 0.00 0.00 33.84 31.81 3bd0 n VAL 6 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bd0 s ARG 8 N -0.34 4.04 0.64 0.00 3.52 0.54 -4.98 118.95 122.37 3bd0 s ARG 8 Ca 0.04 0.59 -0.16 0.00 -0.13 0.00 0.00 55.73 56.07 3bd0 s ARG 8 Cb -0.13 -3.69 -0.01 0.00 -1.56 0.00 0.00 34.95 29.57 3bd0 s ARG 8 CO 0.02 -0.54 1.11 -1.21 -0.81 0.00 0.00 175.30 173.87 3bd0 s GLU 9 N 2.72 2.92 -1.40 5.12 0.41 -1.26 -1.26 118.70 125.95 3bd0 s GLU 9 Ca 0.29 1.39 -0.14 0.00 -0.41 0.00 0.00 54.97 56.11 3bd0 s GLU 9 Cb -0.15 -1.97 0.06 0.00 -1.78 0.00 0.00 34.13 30.30 3bd0 s GLU 9 CO 0.10 -1.16 2.07 0.00 -0.49 0.00 0.00 175.26 175.78 3bd0 n ALA 10 N -2.25 5.09 0.24 5.21 0.00 -1.26 -4.77 120.51 122.77 3bd0 n ALA 10 Ca 0.10 -3.94 0.09 0.00 0.00 0.00 0.00 53.44 49.70 3bd0 n ALA 10 Cb 0.52 -3.47 0.44 0.00 0.00 0.00 0.00 19.45 16.94 3bd0 n ALA 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3bd0 n SER 11 N 6.27 0.46 -0.47 0.00 3.41 -1.26 -1.48 113.62 120.55 3bd0 n SER 11 Ca 0.50 0.67 0.06 0.00 -0.26 0.00 0.00 58.87 59.83 3bd0 n SER 11 Cb 0.40 -0.74 0.05 0.00 -0.26 0.00 0.00 64.21 63.65 3bd0 n SER 11 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3bd0 n HIS 12 N -2.07 0.00 -1.90 7.33 8.25 -1.26 -4.95 115.22 120.62 3bd0 n HIS 12 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 3bd0 n HIS 12 Cb 0.10 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 3bd0 n HIS 12 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bd0 s ALA 13 N -1.03 3.58 0.00 -1.41 0.00 -0.55 -1.79 121.76 120.56 3bd0 s ALA 13 Ca 0.14 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.57 3bd0 s ALA 13 Cb 0.10 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3bd0 s ALA 13 CO 0.16 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.41 3bd0 n GLY 14 N 0.94 2.97 0.10 0.00 0.00 0.70 -4.82 105.19 105.07 3bd0 n GLY 14 Ca 0.02 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 3bd0 n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bd0 n SER 15 N 1.74 1.90 0.12 1.61 3.41 -0.97 -4.60 113.62 116.82 3bd0 n SER 15 Ca 0.00 0.42 -0.01 0.00 -0.26 0.00 0.00 58.87 59.03 3bd0 n SER 15 Cb 0.00 -0.81 0.06 0.00 -0.26 0.00 0.00 64.21 63.20 3bd0 n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 3bd0 h TRP 16 N -1.00 0.00 -3.45 7.33 4.06 -1.67 -3.47 115.95 117.75 3bd0 h TRP 16 Ca -0.16 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.75 3bd0 h TRP 16 Cb 1.01 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 29.06 3bd0 h TRP 16 CO -0.26 0.66 -0.07 1.52 -3.56 0.00 0.00 178.44 176.73 3bd0 s TYR 17 N -3.10 0.00 0.28 0.49 1.13 -1.25 -2.11 117.35 112.79 3bd0 s TYR 17 Ca 0.01 -0.35 -0.29 0.00 -1.41 0.00 0.00 57.07 55.03 3bd0 s TYR 17 Cb 0.10 0.27 -0.10 0.00 -1.10 0.00 0.00 41.96 41.13 3bd0 s TYR 17 CO 0.76 -0.85 1.41 0.99 -2.51 0.00 0.00 175.55 175.35 3bd0 s THR 18 N -3.89 2.63 0.11 -3.49 2.01 -1.26 -0.22 115.64 111.53 3bd0 s THR 18 Ca 0.11 0.56 0.09 0.00 0.31 0.00 0.00 61.69 62.76 3bd0 s THR 18 Cb 0.00 -3.36 -0.12 0.00 0.01 0.00 0.00 72.50 69.04 3bd0 s THR 18 CO -0.03 0.11 1.39 0.00 -0.69 0.00 0.00 174.62 175.39 3bd0 h ALA 19 N 4.41 0.54 -1.84 7.40 0.00 -1.87 -3.41 119.26 124.50 3bd0 h ALA 19 Ca -0.47 -0.75 -0.57 0.00 0.00 0.00 0.00 54.91 53.12 3bd0 h ALA 19 Cb 1.22 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3bd0 h ALA 19 CO 0.73 1.03 1.10 0.45 0.00 0.00 0.00 179.25 182.56 3bd0 s SER 20 N -6.68 6.29 0.09 0.00 0.15 -1.26 -4.75 113.70 107.54 3bd0 s SER 20 Ca 0.01 1.00 -0.28 0.00 0.70 0.00 0.00 55.95 57.38 3bd0 s SER 20 Cb 0.10 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.76 3bd0 s SER 20 CO 0.79 -1.44 1.45 1.23 1.20 0.00 0.00 173.24 176.48 3bd0 h GLY 21 N 12.30 -1.18 -0.85 9.45 0.00 -1.85 0.10 103.07 121.04 3bd0 h GLY 21 Ca -0.29 0.65 0.12 0.00 0.00 0.00 0.00 47.33 47.81 3bd0 h GLY 21 CO 1.07 -0.29 -0.36 -1.05 0.00 0.00 0.00 176.54 175.91 3bd0 n PRO 22 N -4.93 -0.23 0.03 4.80 -0.02 -1.26 -0.09 135.00 133.31 3bd0 n PRO 22 Ca -0.06 1.31 -0.12 0.00 -2.02 0.00 0.00 63.50 62.60 3bd0 n PRO 22 Cb 0.33 -1.94 -0.07 0.00 -0.02 0.00 0.00 33.50 31.79 3bd0 n PRO 22 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3bd0 h GLN 23 N 0.00 -0.00 -0.36 -0.52 4.20 -1.72 -1.73 115.11 114.97 3bd0 h GLN 23 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 3bd0 h GLN 23 Cb 0.49 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3bd0 h GLN 23 CO -0.84 0.08 0.24 1.25 -0.67 0.00 0.00 178.83 178.88 3bd0 h LEU 24 N -0.08 0.41 -0.62 1.46 5.85 -0.29 -0.86 115.31 121.19 3bd0 h LEU 24 Ca -0.00 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3bd0 h LEU 24 Cb 0.08 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3bd0 h LEU 24 CO 0.00 0.30 0.33 -1.13 -0.34 0.00 0.00 178.44 177.61 3bd0 h ASN 25 N 0.48 0.49 -0.54 1.25 -0.73 -0.32 -1.35 115.58 114.86 3bd0 h ASN 25 Ca 0.13 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.31 3bd0 h ASN 25 Cb -0.05 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.45 3bd0 h ASN 25 CO -0.03 0.32 0.25 0.00 -0.37 0.00 0.00 177.43 177.60 3bd0 h ALA 26 N 1.33 0.70 0.26 1.57 0.00 -0.92 -2.21 119.26 120.00 3bd0 h ALA 26 Ca 0.28 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3bd0 h ALA 26 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3bd0 h ALA 26 CO -0.18 0.27 -0.23 0.37 0.00 0.00 0.00 179.25 179.48 3bd0 h GLN 27 N 0.73 -0.49 -0.07 0.00 4.15 -0.71 -1.23 115.11 117.48 3bd0 h GLN 27 Ca 0.19 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.60 3bd0 h GLN 27 Cb 0.13 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 3bd0 h GLN 27 CO -0.02 -0.33 -0.13 -0.07 -1.93 0.00 0.00 178.83 176.35 3bd0 h LEU 28 N -0.51 0.10 -0.57 -2.39 3.38 -1.25 -1.45 115.31 112.60 3bd0 h LEU 28 Ca -0.01 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 3bd0 h LEU 28 Cb 0.46 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3bd0 h LEU 28 CO -0.03 0.24 -0.39 -0.08 0.09 0.00 0.00 178.44 178.27 3bd0 h GLU 29 N 0.10 0.71 0.23 1.13 4.57 -1.15 -0.27 114.58 119.91 3bd0 h GLU 29 Ca 0.02 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 57.83 3bd0 h GLU 29 Cb 0.29 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3bd0 h GLU 29 CO 0.02 0.97 -0.12 0.78 -1.18 0.00 0.00 179.01 179.48 3bd0 h GLY 30 N 0.96 -0.33 0.98 1.92 0.00 -0.23 -0.87 103.07 105.50 3bd0 h GLY 30 Ca 0.05 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3bd0 h GLY 30 CO 0.08 -0.13 0.27 1.49 0.00 0.00 0.00 176.54 178.26 3bd0 h TRP 31 N -0.32 0.71 -0.10 5.60 6.55 -1.31 -2.79 115.95 124.29 3bd0 h TRP 31 Ca -0.03 -0.02 -0.08 0.00 0.95 0.00 0.00 58.89 59.71 3bd0 h TRP 31 Cb 0.25 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.32 3bd0 h TRP 31 CO -0.07 0.53 -0.30 -0.07 -1.05 0.00 0.00 178.44 177.49 3bd0 h LEU 32 N 0.67 0.18 -0.87 -4.49 3.38 -0.97 -3.06 115.31 110.16 3bd0 h LEU 32 Ca 0.18 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3bd0 h LEU 32 Cb 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3bd0 h LEU 32 CO -0.03 0.48 -0.17 0.77 0.09 0.00 0.00 178.44 179.58 3bd0 h SER 33 N 0.16 0.00 0.69 -0.43 4.64 -0.88 -2.73 113.55 115.01 3bd0 h SER 33 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3bd0 h SER 33 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3bd0 h SER 33 CO 0.04 0.17 -0.06 0.00 -0.87 0.00 0.00 176.83 176.11 3bd0 n GLN 34 N -3.25 0.27 -4.23 4.77 6.02 -1.14 -4.83 117.38 114.99 3bd0 n GLN 34 Ca 0.01 -0.04 -0.35 0.00 -0.01 0.00 0.00 57.00 56.62 3bd0 n GLN 34 Cb 0.46 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.12 3bd0 n GLN 34 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3bd0 s VAL 35 N -2.75 4.43 -0.11 5.09 1.01 -1.03 -5.10 120.40 121.94 3bd0 s VAL 35 Ca 0.22 -0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 3bd0 s VAL 35 Cb 0.20 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3bd0 s VAL 35 CO 0.51 0.53 0.57 -1.10 0.00 0.00 0.00 175.10 175.61 3bd0 s GLN 36 N -0.14 4.35 0.09 2.72 -1.52 -1.26 -5.01 119.66 118.90 3bd0 s GLN 36 Ca 0.05 0.62 -0.31 0.00 -1.95 0.00 0.00 55.36 53.77 3bd0 s GLN 36 Cb -0.12 -3.46 -0.09 0.00 -0.22 0.00 0.00 33.01 29.11 3bd0 s GLN 36 CO 0.02 0.07 1.79 0.45 -0.25 0.00 0.00 175.29 177.36 3bd0 s SER 37 N 0.77 6.49 0.00 5.90 0.15 -1.26 -4.81 113.70 120.93 3bd0 s SER 37 Ca 0.30 2.66 0.00 0.00 0.70 0.00 0.00 55.95 59.61 3bd0 s SER 37 Cb -0.16 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 3bd0 s SER 37 CO 0.13 -0.97 0.00 0.35 1.20 0.00 0.00 173.24 173.95 3bd0 n THR 38 N 4.83 0.00 -0.59 6.45 -2.24 -1.26 -4.92 114.28 116.55 3bd0 n THR 38 Ca 0.17 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.99 3bd0 n THR 38 Cb 0.39 -0.11 0.05 0.00 -2.10 0.00 0.00 70.33 68.56 3bd0 n THR 38 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3bd0 n LYS 39 N -0.87 1.93 -1.82 -0.78 4.76 -1.26 -5.05 118.16 115.07 3bd0 n LYS 39 Ca 0.00 -1.75 -0.40 0.00 -2.87 0.00 0.00 58.31 53.29 3bd0 n LYS 39 Cb 0.10 -1.10 0.01 0.00 -1.84 0.00 0.00 35.03 32.20 3bd0 n LYS 39 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3bd0 s ARG 40 N -1.50 3.94 -0.40 1.97 0.52 -1.25 -3.09 118.95 119.14 3bd0 s ARG 40 Ca 0.11 2.48 -0.17 0.00 -0.52 0.00 0.00 55.73 57.64 3bd0 s ARG 40 Cb 0.10 -2.83 0.01 0.00 0.52 0.00 0.00 34.95 32.75 3bd0 s ARG 40 CO 0.01 -0.64 0.41 -1.25 0.02 0.00 0.00 175.30 173.85 3bd0 s PRO 41 N -2.24 3.21 0.09 3.54 0.04 -1.26 -5.08 135.00 133.31 3bd0 s PRO 41 Ca 0.56 -0.69 -0.36 0.00 0.04 0.00 0.00 61.00 60.55 3bd0 s PRO 41 Cb -0.45 -3.93 -0.15 0.00 0.04 0.00 0.00 34.50 30.01 3bd0 s PRO 41 CO 0.59 -0.76 1.46 0.00 0.04 0.00 0.00 177.00 178.34 3bd0 n ALA 42 N 5.50 -0.03 -0.05 8.56 0.00 -0.02 -4.69 120.51 129.79 3bd0 n ALA 42 Ca -0.08 0.48 -0.10 0.00 0.00 0.00 0.00 53.44 53.74 3bd0 n ALA 42 Cb 0.48 -2.19 -0.15 0.00 0.00 0.00 0.00 19.45 17.59 3bd0 n ALA 42 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3bd0 n ARG 43 N 3.08 0.66 -4.00 0.00 3.00 0.07 -4.77 116.66 114.69 3bd0 n ARG 43 Ca 0.18 0.19 -0.08 0.00 -0.00 0.00 0.00 57.85 58.14 3bd0 n ARG 43 Cb 0.23 -1.69 -0.10 0.00 0.00 0.00 0.00 32.46 30.90 3bd0 n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3bd0 s ALA 44 N -2.56 0.21 0.05 5.13 0.00 -1.20 -1.60 121.76 121.80 3bd0 s ALA 44 Ca -0.07 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3bd0 s ALA 44 Cb 0.07 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 3bd0 s ALA 44 CO 0.82 -0.34 -0.08 0.96 0.00 0.00 0.00 175.76 177.13 3bd0 s ILE 45 N -3.17 0.56 -0.13 0.00 -4.36 0.20 -0.15 121.20 114.15 3bd0 s ILE 45 Ca -0.00 -1.22 -0.01 0.00 -0.26 0.00 0.00 60.65 59.16 3bd0 s ILE 45 Cb 0.02 -0.79 -0.02 0.00 1.25 0.00 0.00 42.46 42.93 3bd0 s ILE 45 CO -0.07 -0.46 -0.10 -0.63 0.24 0.00 0.00 174.94 173.91 3bd0 s ILE 46 N -1.76 3.34 -0.00 8.37 1.01 0.12 -0.39 121.20 131.89 3bd0 s ILE 46 Ca -0.06 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 3bd0 s ILE 46 Cb -0.07 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 39.99 3bd0 s ILE 46 CO -0.00 0.52 0.25 0.00 0.00 0.00 0.00 174.94 175.70 3bd0 s ALA 47 N 0.28 -0.61 0.83 9.38 0.00 -0.79 -1.72 121.76 129.13 3bd0 s ALA 47 Ca -0.07 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.90 3bd0 s ALA 47 Cb -0.15 0.11 0.09 0.00 0.00 0.00 0.00 23.12 23.17 3bd0 s ALA 47 CO 0.05 -0.25 1.09 -1.25 0.00 0.00 0.00 175.76 175.39 3bd0 s PRO 48 N -1.45 1.81 -0.03 0.00 0.04 -1.22 -1.28 135.00 132.87 3bd0 s PRO 48 Ca -0.13 0.85 0.05 0.00 0.04 0.00 0.00 61.00 61.80 3bd0 s PRO 48 Cb -0.06 -1.87 0.07 0.00 0.04 0.00 0.00 34.50 32.68 3bd0 s PRO 48 CO 0.03 -1.86 0.91 -2.39 0.04 0.00 0.00 177.00 173.73 3bd0 n HIS 49 N -3.63 0.00 -0.87 0.56 1.44 -1.26 -4.76 115.22 106.70 3bd0 n HIS 49 Ca 0.07 -0.35 -0.29 0.00 -2.01 0.00 0.00 57.72 55.15 3bd0 n HIS 49 Cb 0.55 -0.06 0.20 0.00 0.12 0.00 0.00 29.99 30.80 3bd0 n HIS 49 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3bd0 s ALA 50 N -0.91 0.42 0.48 1.59 0.00 -1.26 -4.90 121.76 117.19 3bd0 s ALA 50 Ca 0.08 -0.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.64 3bd0 s ALA 50 Cb 0.07 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.91 3bd0 s ALA 50 CO 0.01 -3.22 1.38 0.20 0.00 0.00 0.00 175.76 174.13 3bd0 s GLY 51 N -2.99 2.90 0.56 0.00 0.00 -1.26 -4.69 107.32 101.84 3bd0 s GLY 51 Ca 0.67 1.38 0.25 0.00 0.00 0.00 0.00 44.72 47.01 3bd0 s GLY 51 CO 0.61 1.95 2.12 -0.97 0.00 0.00 0.00 173.10 176.80 3bd0 h TYR 52 N 2.03 0.00 0.00 1.90 0.99 -1.80 -0.64 116.97 119.45 3bd0 h TYR 52 Ca -0.51 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.21 3bd0 h TYR 52 Cb 1.28 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 39.00 3bd0 h TYR 52 CO 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 178.16 178.61 3bd0 h THR 53 N 0.00 0.41 0.00 -2.88 1.03 -1.90 -0.90 112.91 108.66 3bd0 h THR 53 Ca 0.08 -0.21 -0.33 0.00 -0.01 0.00 0.00 66.41 65.94 3bd0 h THR 53 Cb 0.39 1.15 -0.06 0.00 -1.07 0.00 0.00 68.15 68.55 3bd0 h THR 53 CO -0.00 0.04 -2.22 -1.22 -0.01 0.00 0.00 175.52 172.11 3bd0 n TYR 54 N -3.58 0.00 0.01 0.00 4.01 -0.30 -4.76 117.16 112.55 3bd0 n TYR 54 Ca -0.02 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.74 3bd0 n TYR 54 Cb 0.14 -0.82 0.06 0.00 -0.31 0.00 0.00 39.34 38.42 3bd0 n TYR 54 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3bd0 h GLY 56 N 1.03 1.28 2.00 0.00 0.00 -1.37 -1.94 103.07 104.07 3bd0 h GLY 56 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 47.33 46.62 3bd0 h GLY 56 CO 0.00 0.56 -0.62 1.76 0.00 0.00 0.00 176.54 178.24 3bd0 h SER 57 N 1.20 0.00 0.12 0.19 0.02 -1.86 -2.95 113.55 110.27 3bd0 h SER 57 Ca 0.30 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 3bd0 h SER 57 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3bd0 h SER 57 CO -0.05 0.62 -0.06 0.00 -1.14 0.00 0.00 176.83 176.20 3bd0 h ALA 59 N -0.00 2.01 -0.27 0.00 0.00 -1.33 -1.22 119.26 118.45 3bd0 h ALA 59 Ca -0.02 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3bd0 h ALA 59 Cb 0.53 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3bd0 h ALA 59 CO 0.03 -0.09 0.19 0.00 0.00 0.00 0.00 179.25 179.37 3bd0 h ALA 60 N 1.78 2.14 -0.36 0.00 0.00 -1.61 0.13 119.26 121.34 3bd0 h ALA 60 Ca 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3bd0 h ALA 60 Cb 0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3bd0 h ALA 60 CO -0.04 -0.20 0.08 0.45 0.00 0.00 0.00 179.25 179.54 3bd0 h HIS 61 N 0.09 0.53 0.01 0.00 3.86 -1.33 -1.25 115.15 117.05 3bd0 h HIS 61 Ca 0.12 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3bd0 h HIS 61 Cb 0.38 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3bd0 h HIS 61 CO -0.00 0.47 -0.09 0.00 0.86 0.00 0.00 177.93 179.18 3bd0 h ALA 62 N 1.57 -0.00 0.00 2.45 0.00 -0.91 -3.35 119.26 119.03 3bd0 h ALA 62 Ca 0.12 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3bd0 h ALA 62 Cb 0.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3bd0 h ALA 62 CO -0.00 -0.00 -0.13 1.88 0.00 0.00 0.00 179.25 180.99 3bd0 h TYR 63 N -0.81 0.00 0.00 0.00 0.05 -1.17 -2.07 116.97 112.97 3bd0 h TYR 63 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3bd0 h TYR 63 Cb 0.96 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.70 3bd0 h TYR 63 CO 0.23 0.13 0.00 -0.22 -1.05 0.00 0.00 178.16 177.25 3bd0 h LYS 64 N 0.00 0.00 -0.01 4.88 1.63 -1.36 -2.24 116.57 119.47 3bd0 h LYS 64 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3bd0 h LYS 64 Cb 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 3bd0 h LYS 64 CO 0.02 0.00 -0.22 1.04 -3.45 0.00 0.00 179.45 176.84 3bd0 n GLN 65 N -2.61 1.09 -2.55 1.90 1.13 -0.78 -4.72 117.38 110.85 3bd0 n GLN 65 Ca -0.00 -0.69 -0.42 0.00 -1.94 0.00 0.00 57.00 53.95 3bd0 n GLN 65 Cb 0.16 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 28.99 3bd0 n GLN 65 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3bd0 s VAL 66 N -2.38 4.42 -0.41 5.09 1.01 -0.85 -0.84 120.40 126.44 3bd0 s VAL 66 Ca 0.27 1.73 -0.13 0.00 0.00 0.00 0.00 61.98 63.85 3bd0 s VAL 66 Cb 0.19 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.50 3bd0 s VAL 66 CO 0.48 0.12 0.28 -0.62 0.00 0.00 0.00 175.10 175.37 3bd0 s ASP 67 N 1.06 5.94 0.48 3.32 -1.08 -1.26 -4.93 116.67 120.20 3bd0 s ASP 67 Ca 0.55 -1.09 0.20 0.00 -0.52 0.00 0.00 52.55 51.70 3bd0 s ASP 67 Cb -0.25 -2.10 1.23 0.00 -1.46 0.00 0.00 42.92 40.34 3bd0 s ASP 67 CO 0.28 -0.48 1.97 -0.65 0.52 0.00 0.00 175.17 176.81 3bd0 h PRO 68 N 8.56 0.20 0.00 4.34 0.11 -1.90 -1.63 132.00 141.68 3bd0 h PRO 68 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3bd0 h PRO 68 Cb 1.11 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3bd0 h PRO 68 CO 0.74 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 177.53 3bd0 n SER 69 N -4.43 0.05 -0.07 -2.05 3.41 -1.26 -4.09 113.62 105.18 3bd0 n SER 69 Ca 0.11 0.50 -0.12 0.00 -0.26 0.00 0.00 58.87 59.11 3bd0 n SER 69 Cb 0.55 -0.52 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 3bd0 n SER 69 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3bd0 n ILE 70 N -1.55 0.82 -2.50 -1.33 5.41 -0.65 -5.01 119.36 114.56 3bd0 n ILE 70 Ca 0.07 -0.28 -0.42 0.00 1.00 0.00 0.00 62.75 63.12 3bd0 n ILE 70 Cb 0.34 -1.23 -0.03 0.00 -0.71 0.00 0.00 39.64 38.02 3bd0 n ILE 70 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3bd0 s THR 71 N -2.28 4.12 0.00 1.39 2.01 -0.95 -4.38 115.64 115.55 3bd0 s THR 71 Ca -0.20 1.60 0.00 0.00 0.31 0.00 0.00 61.69 63.41 3bd0 s THR 71 Cb 0.06 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.54 3bd0 s THR 71 CO 0.31 0.17 0.00 -1.14 -0.69 0.00 0.00 174.62 173.27 3bd0 n ARG 72 N 3.45 2.09 -4.22 4.92 3.00 0.31 -4.88 116.66 121.33 3bd0 n ARG 72 Ca 0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.65 3bd0 n ARG 72 Cb 0.47 -0.87 -0.17 0.00 0.00 0.00 0.00 32.46 31.90 3bd0 n ARG 72 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3bd0 s ARG 73 N -1.73 1.69 -0.27 -0.14 0.52 -0.58 -1.07 118.95 117.37 3bd0 s ARG 73 Ca 0.00 -0.36 -0.04 0.00 -0.52 0.00 0.00 55.73 54.81 3bd0 s ARG 73 Cb 0.00 -1.57 0.01 0.00 0.52 0.00 0.00 34.95 33.91 3bd0 s ARG 73 CO 0.00 -0.14 0.01 0.42 0.02 0.00 0.00 175.30 175.62 3bd0 s ILE 74 N 1.23 3.49 -0.06 1.52 1.01 -0.60 -1.55 121.20 126.25 3bd0 s ILE 74 Ca -0.04 -0.78 -0.22 0.00 0.00 0.00 0.00 60.65 59.61 3bd0 s ILE 74 Cb -0.14 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 3bd0 s ILE 74 CO -0.03 0.17 0.65 -0.36 0.00 0.00 0.00 174.94 175.37 3bd0 s PHE 75 N 1.43 3.59 -0.22 3.97 0.40 0.14 0.64 117.98 127.94 3bd0 s PHE 75 Ca 0.02 1.20 0.02 0.00 -0.60 0.00 0.00 56.93 57.57 3bd0 s PHE 75 Cb -0.17 -2.74 0.04 0.00 0.51 0.00 0.00 43.02 40.67 3bd0 s PHE 75 CO -0.01 0.15 -0.14 0.42 0.70 0.00 0.00 175.22 176.34 3bd0 s ILE 76 N 0.59 2.05 -0.37 0.64 1.01 -0.60 0.11 121.20 124.63 3bd0 s ILE 76 Ca 0.35 -1.29 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 3bd0 s ILE 76 Cb -0.17 -2.05 0.04 0.00 0.01 0.00 0.00 42.46 40.29 3bd0 s ILE 76 CO 0.17 0.21 0.18 -0.76 0.00 0.00 0.00 174.94 174.73 3bd0 s LEU 77 N 1.21 4.66 0.07 2.97 1.43 0.04 -0.79 118.68 128.28 3bd0 s LEU 77 Ca -0.03 -1.16 0.07 0.00 -1.03 0.00 0.00 54.13 51.99 3bd0 s LEU 77 Cb -0.17 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 3bd0 s LEU 77 CO -0.08 -0.39 -0.16 -0.83 0.23 0.00 0.00 176.35 175.11 3bd0 s GLY 78 N 1.60 1.66 0.66 -3.19 0.00 -0.75 -1.54 107.32 105.76 3bd0 s GLY 78 Ca 0.01 -1.25 -0.13 0.00 0.00 0.00 0.00 44.72 43.35 3bd0 s GLY 78 CO 0.04 -1.18 1.06 2.56 0.00 0.00 0.00 173.10 175.59 3bd0 s PRO 79 N -1.80 3.02 -0.11 2.90 0.04 -1.26 -0.42 135.00 137.37 3bd0 s PRO 79 Ca 0.17 1.08 -0.14 0.00 0.04 0.00 0.00 61.00 62.14 3bd0 s PRO 79 Cb -0.11 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 3bd0 s PRO 79 CO 0.08 -1.04 0.35 -1.54 0.04 0.00 0.00 177.00 174.89 3bd0 s SER 80 N -3.35 6.58 -0.19 6.66 1.04 -0.79 -4.61 113.70 119.04 3bd0 s SER 80 Ca 0.61 0.69 0.14 0.00 0.48 0.00 0.00 55.95 57.87 3bd0 s SER 80 Cb -0.15 -2.21 -0.24 0.00 0.10 0.00 0.00 66.02 63.52 3bd0 s SER 80 CO 0.48 0.16 0.11 1.41 0.98 0.00 0.00 173.24 176.38 3bd0 n HIS 81 N 3.01 0.17 -0.12 5.02 8.25 -1.26 -4.81 115.22 125.48 3bd0 n HIS 81 Ca -0.12 0.05 -0.24 0.00 -0.26 0.00 0.00 57.72 57.16 3bd0 n HIS 81 Cb 0.52 -1.03 -0.10 0.00 1.12 0.00 0.00 29.99 30.50 3bd0 n HIS 81 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3bd0 n HIS 82 N -2.89 0.58 -3.62 4.41 8.25 -1.26 -4.98 115.22 115.71 3bd0 n HIS 82 Ca -0.33 0.25 -0.29 0.00 -0.26 0.00 0.00 57.72 57.09 3bd0 n HIS 82 Cb 1.12 -1.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.17 3bd0 n HIS 82 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3bd0 s VAL 83 N -2.43 5.16 0.06 1.59 -7.23 -1.26 -5.06 120.40 111.22 3bd0 s VAL 83 Ca -0.32 -0.14 -0.31 0.00 -1.81 0.00 0.00 61.98 59.41 3bd0 s VAL 83 Cb 0.09 -3.69 -0.06 0.00 0.56 0.00 0.00 36.38 33.28 3bd0 s VAL 83 CO 0.53 -0.12 1.33 -2.16 -0.31 0.00 0.00 175.10 174.36 3bd0 s PRO 84 N -3.11 4.35 -0.21 4.82 0.04 -1.26 -4.94 135.00 134.69 3bd0 s PRO 84 Ca 0.40 1.94 -0.04 0.00 0.04 0.00 0.00 61.00 63.34 3bd0 s PRO 84 Cb -0.11 -3.37 0.11 0.00 0.04 0.00 0.00 34.50 31.17 3bd0 s PRO 84 CO 0.27 -0.41 0.36 -1.17 0.04 0.00 0.00 177.00 176.09 3bd0 s LEU 85 N 1.44 -0.56 0.00 -3.56 2.96 -1.26 -5.02 118.68 112.68 3bd0 s LEU 85 Ca 0.62 0.50 0.26 0.00 -0.22 0.00 0.00 54.13 55.29 3bd0 s LEU 85 Cb -0.33 1.09 0.64 0.00 0.50 0.00 0.00 46.19 48.09 3bd0 s LEU 85 CO 0.29 -0.27 1.51 -1.54 -1.32 0.00 0.00 176.35 175.01 3bd0 n SER 86 N 5.37 2.01 0.00 3.68 3.41 -1.26 0.34 113.62 127.17 3bd0 n SER 86 Ca -0.06 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 3bd0 n SER 86 Cb 0.50 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3bd0 n SER 86 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3bd0 n ARG 87 N 0.48 0.47 -4.64 4.33 0.00 -1.26 -4.49 116.66 111.54 3bd0 n ARG 87 Ca 0.16 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.74 3bd0 n ARG 87 Cb 0.45 0.00 -0.14 0.00 -0.00 0.00 0.00 32.46 32.77 3bd0 n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3bd0 s ALA 89 N -0.88 2.39 0.26 0.00 0.00 -0.05 -0.98 121.76 122.51 3bd0 s ALA 89 Ca 0.09 -1.41 0.08 0.00 0.00 0.00 0.00 51.96 50.73 3bd0 s ALA 89 Cb -0.09 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3bd0 s ALA 89 CO 0.03 0.55 0.11 -0.51 0.00 0.00 0.00 175.76 175.93 3bd0 s LEU 90 N -1.87 3.51 0.60 0.00 1.43 -0.52 -1.28 118.68 120.56 3bd0 s LEU 90 Ca 0.14 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.62 3bd0 s LEU 90 Cb -0.10 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 3bd0 s LEU 90 CO 0.06 -0.04 1.09 -0.55 0.23 0.00 0.00 176.35 177.13 3bd0 s SER 91 N -3.77 5.54 0.00 2.29 0.15 -1.26 -0.77 113.70 115.87 3bd0 s SER 91 Ca 0.33 1.96 0.19 0.00 0.70 0.00 0.00 55.95 59.12 3bd0 s SER 91 Cb -0.07 -2.55 0.42 0.00 -1.71 0.00 0.00 66.02 62.11 3bd0 s SER 91 CO 0.23 -1.34 1.34 -1.54 1.20 0.00 0.00 173.24 173.13 3bd0 n SER 92 N -2.00 3.32 -4.84 5.45 3.41 -1.25 -4.82 113.62 112.89 3bd0 n SER 92 Ca 0.10 -1.94 -0.26 0.00 -0.26 0.00 0.00 58.87 56.50 3bd0 n SER 92 Cb 0.52 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 3bd0 n SER 92 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3bd0 s VAL 93 N -1.20 1.84 -0.12 -3.33 -7.23 -1.26 -4.99 120.40 104.11 3bd0 s VAL 93 Ca 0.35 -1.59 0.18 0.00 -1.81 0.00 0.00 61.98 59.11 3bd0 s VAL 93 Cb 0.20 -2.43 -0.26 0.00 0.56 0.00 0.00 36.38 34.44 3bd0 s VAL 93 CO 0.27 0.00 0.22 0.47 -0.31 0.00 0.00 175.10 175.75 3bd0 n ASP 94 N -1.55 0.44 -3.97 4.85 8.00 -0.48 -4.90 116.55 118.93 3bd0 n ASP 94 Ca -0.03 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.29 3bd0 n ASP 94 Cb 0.64 1.35 -0.15 0.00 -0.02 0.00 0.00 41.12 42.95 3bd0 n ASP 94 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bd0 s ILE 95 N -2.84 0.56 -0.28 0.53 1.01 -0.52 -1.58 121.20 118.08 3bd0 s ILE 95 Ca -0.08 -0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.22 3bd0 s ILE 95 Cb 0.09 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 42.05 3bd0 s ILE 95 CO 0.79 0.18 0.10 -0.31 0.00 0.00 0.00 174.94 175.69 3bd0 s TYR 96 N 0.09 3.13 0.42 3.97 1.51 -0.12 -0.34 117.35 126.01 3bd0 s TYR 96 Ca -0.01 -0.58 -0.20 0.00 -1.01 0.00 0.00 57.07 55.26 3bd0 s TYR 96 Cb -0.06 -2.28 -0.11 0.00 -0.11 0.00 0.00 41.96 39.40 3bd0 s TYR 96 CO -0.00 -0.44 0.93 1.03 -1.11 0.00 0.00 175.55 175.96 3bd0 s ARG 97 N 1.59 4.21 0.03 -0.62 0.52 -0.39 -0.39 118.95 123.91 3bd0 s ARG 97 Ca 0.05 1.07 -0.06 0.00 -0.52 0.00 0.00 55.73 56.27 3bd0 s ARG 97 Cb -0.16 -2.22 -0.01 0.00 0.52 0.00 0.00 34.95 33.08 3bd0 s ARG 97 CO 0.04 -0.00 0.12 0.95 0.02 0.00 0.00 175.30 176.43 3bd0 s THR 98 N -2.14 0.12 0.61 0.02 -4.23 -1.25 -4.26 115.64 104.51 3bd0 s THR 98 Ca 0.61 -1.00 0.33 0.00 -1.18 0.00 0.00 61.69 60.45 3bd0 s THR 98 Cb -0.09 -0.82 0.37 0.00 1.34 0.00 0.00 72.50 73.30 3bd0 s THR 98 CO 0.14 -0.55 2.23 -0.65 -0.54 0.00 0.00 174.62 175.25 3bd0 h PRO 99 N 3.72 0.00 0.00 3.99 0.11 -1.92 -3.26 132.00 134.64 3bd0 h PRO 99 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3bd0 h PRO 99 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3bd0 h PRO 99 CO 0.48 0.00 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.19 3bd0 h LEU 100 N 0.00 0.00 -7.26 2.35 3.38 -1.93 -3.37 115.31 108.48 3bd0 h LEU 100 Ca 0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3bd0 h LEU 100 Cb 0.15 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.79 3bd0 h LEU 100 CO -0.00 0.18 0.24 -0.72 0.09 0.00 0.00 178.44 178.23 3bd0 s TYR 101 N -1.21 -0.43 0.39 1.13 -0.85 -1.23 -5.06 117.35 110.10 3bd0 s TYR 101 Ca -0.01 0.16 -0.15 0.00 -0.52 0.00 0.00 57.07 56.56 3bd0 s TYR 101 Cb 0.00 0.60 -0.08 0.00 0.38 0.00 0.00 41.96 42.85 3bd0 s TYR 101 CO 0.01 -0.92 0.82 -0.51 -1.52 0.00 0.00 175.55 173.43 3bd0 s ASP 102 N -2.78 6.71 -0.04 -0.18 1.01 -1.26 -3.81 116.67 116.33 3bd0 s ASP 102 Ca 0.04 1.36 0.05 0.00 0.71 0.00 0.00 52.55 54.71 3bd0 s ASP 102 Cb -0.02 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.47 3bd0 s ASP 102 CO -0.07 -0.34 -0.17 -0.76 0.21 0.00 0.00 175.17 174.03 3bd0 s LEU 103 N -3.41 2.59 -0.14 1.23 1.43 0.47 -4.95 118.68 115.90 3bd0 s LEU 103 Ca 0.56 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 53.25 3bd0 s LEU 103 Cb -0.10 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 3bd0 s LEU 103 CO 0.22 0.33 0.30 -0.60 0.23 0.00 0.00 176.35 176.83 3bd0 s ARG 104 N -0.77 4.19 -0.04 1.70 3.52 -1.26 -0.94 118.95 125.34 3bd0 s ARG 104 Ca 0.11 0.12 -0.30 0.00 -0.13 0.00 0.00 55.73 55.53 3bd0 s ARG 104 Cb -0.10 -3.40 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 3bd0 s ARG 104 CO 0.01 0.30 1.10 0.42 -0.81 0.00 0.00 175.30 176.31 3bd0 s ILE 105 N 0.27 4.50 -0.46 4.11 1.01 -0.61 0.18 121.20 130.20 3bd0 s ILE 105 Ca 0.17 1.80 -0.27 0.00 0.00 0.00 0.00 60.65 62.35 3bd0 s ILE 105 Cb -0.13 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 3bd0 s ILE 105 CO 0.05 0.05 2.14 -0.62 0.00 0.00 0.00 174.94 176.55 3bd0 s ASP 106 N 1.21 5.03 0.25 3.58 -1.08 -0.80 -4.82 116.67 120.04 3bd0 s ASP 106 Ca 0.53 1.02 -0.05 0.00 -0.52 0.00 0.00 52.55 53.53 3bd0 s ASP 106 Cb -0.23 -2.51 0.29 0.00 -1.46 0.00 0.00 42.92 39.01 3bd0 s ASP 106 CO 0.23 -2.43 1.91 1.56 0.52 0.00 0.00 175.17 176.96 3bd0 h GLN 107 N 16.63 1.25 0.50 4.34 1.08 -1.93 -1.98 115.11 134.99 3bd0 h GLN 107 Ca -0.29 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 56.82 3bd0 h GLN 107 Cb 1.22 -0.28 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 3bd0 h GLN 107 CO 1.13 0.83 -0.24 -0.22 -0.95 0.00 0.00 178.83 179.38 3bd0 h LYS 108 N 1.29 -0.64 -0.65 1.46 3.64 -1.99 0.47 116.57 120.15 3bd0 h LYS 108 Ca 0.38 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.74 3bd0 h LYS 108 Cb -0.07 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3bd0 h LYS 108 CO -0.10 -0.41 0.17 0.82 -2.27 0.00 0.00 179.45 177.66 3bd0 h ILE 109 N -0.70 1.25 -0.23 2.00 2.04 -1.98 -0.88 117.51 119.00 3bd0 h ILE 109 Ca -0.07 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 64.94 3bd0 h ILE 109 Cb 0.53 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3bd0 h ILE 109 CO 0.11 0.34 0.16 1.88 0.00 0.00 0.00 178.15 180.64 3bd0 h TYR 110 N 0.97 0.13 0.13 1.37 -1.99 -1.13 0.26 116.97 116.71 3bd0 h TYR 110 Ca 0.21 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.94 3bd0 h TYR 110 Cb 0.32 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.01 3bd0 h TYR 110 CO 0.02 0.08 -0.06 0.78 -0.00 0.00 0.00 178.16 178.97 3bd0 h GLY 111 N 0.13 -0.19 0.28 3.88 0.00 0.13 -2.48 103.07 104.83 3bd0 h GLY 111 Ca 0.10 0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.60 3bd0 h GLY 111 CO -0.01 -0.07 0.09 0.83 0.00 0.00 0.00 176.54 177.38 3bd0 h GLU 112 N -0.83 0.21 -0.12 4.80 5.08 -0.83 -1.79 114.58 121.10 3bd0 h GLU 112 Ca -0.02 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3bd0 h GLU 112 Cb 0.54 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 3bd0 h GLU 112 CO 0.03 0.14 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.04 3bd0 h LEU 113 N 0.22 -0.23 -1.41 1.33 3.38 -0.59 -2.82 115.31 115.18 3bd0 h LEU 113 Ca 0.27 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 3bd0 h LEU 113 Cb 0.38 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3bd0 h LEU 113 CO -0.36 -0.10 0.16 -0.25 0.09 0.00 0.00 178.44 177.98 3bd0 h TRP 114 N -0.07 0.55 0.00 1.13 2.91 -0.96 -1.72 115.95 117.78 3bd0 h TRP 114 Ca 0.07 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.07 3bd0 h TRP 114 Cb 0.18 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 3bd0 h TRP 114 CO -0.20 0.43 0.00 1.63 -1.03 0.00 0.00 178.44 179.28 3bd0 n LYS 115 N -4.38 0.22 0.23 2.65 5.02 -0.72 -1.96 118.16 119.23 3bd0 n LYS 115 Ca 0.03 0.39 0.09 0.00 -2.02 0.00 0.00 58.31 56.79 3bd0 n LYS 115 Cb 0.14 -1.88 0.55 0.00 -0.02 0.00 0.00 35.03 33.82 3bd0 n LYS 115 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3bd0 h THR 116 N 0.00 0.79 -0.71 -0.18 1.35 -1.20 -3.46 112.91 109.49 3bd0 h THR 116 Ca 0.00 -0.90 -0.20 0.00 -0.55 0.00 0.00 66.41 64.76 3bd0 h THR 116 Cb 0.45 1.55 -0.06 0.00 -1.73 0.00 0.00 68.15 68.36 3bd0 h THR 116 CO 0.00 0.22 -0.20 0.61 -0.25 0.00 0.00 175.52 175.90 3bd0 n GLY 117 N -0.43 0.84 0.95 5.82 0.00 -0.83 -4.91 105.19 106.65 3bd0 n GLY 117 Ca -0.01 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.57 3bd0 n GLY 117 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3bd0 n MET 118 N -2.52 2.26 -4.40 1.61 2.81 -1.26 -4.98 117.12 110.64 3bd0 n MET 118 Ca -0.10 -1.93 -0.27 0.00 -1.81 0.00 0.00 57.70 53.59 3bd0 n MET 118 Cb 0.39 -1.45 -0.13 0.00 -0.71 0.00 0.00 33.22 31.32 3bd0 n MET 118 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3bd0 s PHE 119 N -1.88 2.04 0.39 2.03 0.40 -1.26 -4.25 117.98 115.45 3bd0 s PHE 119 Ca 0.28 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.23 3bd0 s PHE 119 Cb 0.20 -1.13 -0.01 0.00 0.51 0.00 0.00 43.02 42.59 3bd0 s PHE 119 CO 0.29 0.25 0.58 -1.21 0.70 0.00 0.00 175.22 175.83 3bd0 s GLU 120 N -1.87 3.21 -0.25 0.44 2.02 -0.15 -4.97 118.70 117.12 3bd0 s GLU 120 Ca 0.10 -0.56 -0.11 0.00 0.02 0.00 0.00 54.97 54.43 3bd0 s GLU 120 Cb -0.10 -2.65 -0.05 0.00 0.10 0.00 0.00 34.13 31.43 3bd0 s GLU 120 CO 0.05 -0.06 0.17 0.50 0.02 0.00 0.00 175.26 175.94 3bd0 s ARG 121 N -4.39 4.02 -0.01 1.61 3.52 -1.26 -1.44 118.95 121.00 3bd0 s ARG 121 Ca 0.45 -0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 55.45 3bd0 s ARG 121 Cb -0.10 -3.57 -0.06 0.00 -1.56 0.00 0.00 34.95 29.67 3bd0 s ARG 121 CO 0.36 -0.02 1.54 1.41 -0.81 0.00 0.00 175.30 177.77 3bd0 s MET 122 N 1.28 4.23 0.89 5.12 0.00 0.05 -4.91 119.30 125.96 3bd0 s MET 122 Ca 0.07 2.11 -0.11 0.00 0.00 0.00 0.00 55.69 57.77 3bd0 s MET 122 Cb -0.14 -3.71 0.13 0.00 0.00 0.00 0.00 34.83 31.10 3bd0 s MET 122 CO 0.06 -0.71 1.10 -1.54 0.00 0.00 0.00 175.02 173.94 3bd0 s SER 123 N 2.46 3.36 0.17 1.11 1.04 -1.26 -3.77 113.70 116.81 3bd0 s SER 123 Ca 0.69 1.76 -0.14 0.00 0.48 0.00 0.00 55.95 58.74 3bd0 s SER 123 Cb -0.34 -2.39 0.06 0.00 0.10 0.00 0.00 66.02 63.46 3bd0 s SER 123 CO 0.28 -2.75 1.79 0.25 0.98 0.00 0.00 173.24 173.79 3bd0 h LEU 124 N -1.63 0.66 -0.28 2.42 5.85 -1.97 -1.53 115.31 118.83 3bd0 h LEU 124 Ca -0.47 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.22 3bd0 h LEU 124 Cb 1.27 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 3bd0 h LEU 124 CO 0.50 0.54 0.01 -0.61 -0.34 0.00 0.00 178.44 178.54 3bd0 h GLN 125 N 0.72 0.09 -0.15 1.25 -0.00 -1.99 -0.02 115.11 115.02 3bd0 h GLN 125 Ca 0.19 -0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.88 3bd0 h GLN 125 Cb 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 27.48 27.42 3bd0 h GLN 125 CO -0.03 0.06 -0.16 1.15 0.00 0.00 0.00 178.83 179.85 3bd0 h THR 126 N 0.10 0.57 -0.27 2.39 2.02 -1.88 0.70 112.91 116.53 3bd0 h THR 126 Ca 0.13 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.37 3bd0 h THR 126 Cb 0.17 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 3bd0 h THR 126 CO -0.22 0.00 -0.06 -0.78 0.37 0.00 0.00 175.52 174.84 3bd0 h ASP 127 N -0.19 -0.23 0.82 4.18 1.82 -0.93 -1.96 116.42 119.94 3bd0 h ASP 127 Ca 0.10 0.08 -0.12 0.00 -0.39 0.00 0.00 57.03 56.70 3bd0 h ASP 127 Cb 0.34 0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 3bd0 h ASP 127 CO -0.26 -0.08 -0.56 -0.33 -1.61 0.00 0.00 179.24 176.40 3bd0 h GLU 128 N 0.01 0.00 -0.53 0.28 5.08 -0.80 -3.15 114.58 115.47 3bd0 h GLU 128 Ca 0.13 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.37 3bd0 h GLU 128 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3bd0 h GLU 128 CO -0.27 0.56 -0.12 0.22 -1.00 0.00 0.00 179.01 178.40 3bd0 h ASP 129 N 0.00 1.01 -3.76 1.42 3.58 -0.36 -3.43 116.42 114.87 3bd0 h ASP 129 Ca -0.01 -0.34 -0.51 0.00 0.42 0.00 0.00 57.03 56.60 3bd0 h ASP 129 Cb 1.12 -0.28 0.03 0.00 1.72 0.00 0.00 39.33 41.92 3bd0 h ASP 129 CO 0.07 1.13 0.53 -0.70 -2.88 0.00 0.00 179.24 177.39 3bd0 s GLU 130 N -4.83 4.54 -0.00 0.28 2.56 -0.78 -4.98 118.70 115.49 3bd0 s GLU 130 Ca -0.11 1.93 0.06 0.00 0.00 0.00 0.00 54.97 56.84 3bd0 s GLU 130 Cb 0.13 -3.17 -0.08 0.00 2.00 0.00 0.00 34.13 33.02 3bd0 s GLU 130 CO 0.86 0.05 0.20 -2.39 -0.56 0.00 0.00 175.26 173.43 3bd0 n HIS 131 N 1.35 0.00 0.30 5.30 1.44 -1.26 -4.54 115.22 117.80 3bd0 n HIS 131 Ca 0.00 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 55.90 3bd0 n HIS 131 Cb 0.44 -0.05 0.88 0.00 0.12 0.00 0.00 29.99 31.37 3bd0 n HIS 131 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3bd0 h SER 132 N 0.00 0.00 0.04 4.39 4.64 -1.90 -2.27 113.55 118.45 3bd0 h SER 132 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 3bd0 h SER 132 Cb 0.19 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.23 3bd0 h SER 132 CO 0.00 0.02 -2.34 -0.38 -0.87 0.00 0.00 176.83 173.27 3bd0 n ILE 133 N -3.18 1.57 -0.28 0.95 5.41 -1.26 -4.46 119.36 118.11 3bd0 n ILE 133 Ca -0.01 -0.60 0.10 0.00 1.00 0.00 0.00 62.75 63.24 3bd0 n ILE 133 Cb 0.22 -1.47 0.35 0.00 -0.71 0.00 0.00 39.64 38.02 3bd0 n ILE 133 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3bd0 h GLU 134 N 0.02 0.74 0.00 0.38 4.81 -1.69 -2.19 114.58 116.64 3bd0 h GLU 134 Ca -0.53 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 3bd0 h GLU 134 Cb 1.95 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 31.16 3bd0 h GLU 134 CO -0.04 0.49 0.00 -1.33 -0.73 0.00 0.00 179.01 177.40 3bd0 n MET 135 N -4.56 0.05 -0.05 1.92 2.81 -0.89 -1.82 117.12 114.57 3bd0 n MET 135 Ca 0.17 0.39 0.12 0.00 -1.81 0.00 0.00 57.70 56.58 3bd0 n MET 135 Cb 0.42 -1.62 0.20 0.00 -0.71 0.00 0.00 33.22 31.51 3bd0 n MET 135 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3bd0 n HIS 136 N -1.72 0.13 0.06 2.03 8.25 -0.82 -4.52 115.22 118.63 3bd0 n HIS 136 Ca 0.02 -0.07 -0.19 0.00 -0.26 0.00 0.00 57.72 57.22 3bd0 n HIS 136 Cb 0.12 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.08 3bd0 n HIS 136 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3bd0 h LEU 137 N 4.22 0.46 -0.89 2.41 3.38 -1.51 -0.63 115.31 122.76 3bd0 h LEU 137 Ca 0.00 -0.70 -0.11 0.00 0.09 0.00 0.00 57.88 57.16 3bd0 h LEU 137 Cb 0.91 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3bd0 h LEU 137 CO 0.00 1.59 -0.52 -0.65 0.09 0.00 0.00 178.44 178.95 3bd0 h PRO 138 N 0.08 0.00 0.10 1.13 0.11 -1.79 0.04 132.00 131.67 3bd0 h PRO 138 Ca -0.30 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.53 3bd0 h PRO 138 Cb 2.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 33.15 3bd0 h PRO 138 CO 0.16 0.52 -1.36 -0.92 -0.21 0.00 0.00 178.00 176.19 3bd0 h TYR 139 N 0.00 0.40 0.00 0.65 -0.00 -1.78 -1.84 116.97 114.40 3bd0 h TYR 139 Ca -0.01 -0.29 -0.14 0.00 -0.00 0.00 0.00 58.73 58.29 3bd0 h TYR 139 Cb 0.98 -0.02 -0.02 0.00 -0.00 0.00 0.00 36.73 37.67 3bd0 h TYR 139 CO 0.00 1.28 -0.77 1.79 -0.00 0.00 0.00 178.16 180.46 3bd0 h THR 140 N 0.06 1.04 -0.32 1.81 1.35 -1.07 -1.95 112.91 113.83 3bd0 h THR 140 Ca -0.17 -2.51 -0.01 0.00 -0.55 0.00 0.00 66.41 63.16 3bd0 h THR 140 Cb 1.97 2.49 -0.01 0.00 -1.73 0.00 0.00 68.15 70.86 3bd0 h THR 140 CO 0.17 0.59 0.17 0.00 -0.25 0.00 0.00 175.52 176.20 3bd0 h ALA 141 N 1.35 0.41 -0.20 6.62 0.00 -1.04 -2.95 119.26 123.45 3bd0 h ALA 141 Ca -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3bd0 h ALA 141 Cb 1.53 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3bd0 h ALA 141 CO 0.08 -0.05 -0.04 -0.22 0.00 0.00 0.00 179.25 179.02 3bd0 h LYS 142 N 0.39 0.38 0.00 0.00 1.63 -1.32 -1.14 116.57 116.52 3bd0 h LYS 142 Ca 0.11 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3bd0 h LYS 142 Cb 0.08 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 3bd0 h LYS 142 CO -0.02 0.62 -0.02 0.00 -3.45 0.00 0.00 179.45 176.59 3bd0 h ALA 143 N 0.75 1.61 0.00 5.00 0.00 -1.42 -2.98 119.26 122.22 3bd0 h ALA 143 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3bd0 h ALA 143 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3bd0 h ALA 143 CO 0.02 0.03 -1.21 -1.33 0.00 0.00 0.00 179.25 176.75 3bd0 n MET 144 N -4.00 1.09 0.00 0.00 2.81 -1.11 -4.51 117.12 111.40 3bd0 n MET 144 Ca -0.03 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 3bd0 n MET 144 Cb 0.11 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 3bd0 n MET 144 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3bd0 n GLU 145 N -1.69 0.00 -0.28 0.03 2.13 -0.44 0.11 120.64 120.50 3bd0 n GLU 145 Ca 0.00 0.00 0.21 0.00 0.66 0.00 0.00 57.16 58.03 3bd0 n GLU 145 Cb 0.34 0.00 0.39 0.00 0.27 0.00 0.00 31.44 32.44 3bd0 n GLU 145 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3bd0 n SER 146 N -0.69 0.12 -1.04 4.31 3.41 -1.26 -0.11 113.62 118.35 3bd0 n SER 146 Ca 0.00 1.41 -0.03 0.00 -0.26 0.00 0.00 58.87 59.99 3bd0 n SER 146 Cb 0.00 -0.61 0.19 0.00 -0.26 0.00 0.00 64.21 63.52 3bd0 n SER 146 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3bd0 n HIS 147 N -5.03 0.84 -0.03 7.33 8.25 0.30 -4.88 115.22 122.00 3bd0 n HIS 147 Ca 0.27 -1.66 0.03 0.00 -0.26 0.00 0.00 57.72 56.10 3bd0 n HIS 147 Cb 0.90 -0.41 0.05 0.00 1.12 0.00 0.00 29.99 31.65 3bd0 n HIS 147 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3bd0 n LYS 148 N -1.09 -0.01 0.00 -0.41 4.81 0.84 -0.03 118.16 122.28 3bd0 n LYS 148 Ca 0.29 0.14 0.11 0.00 -0.87 0.00 0.00 58.31 57.99 3bd0 n LYS 148 Cb 0.89 -0.25 0.07 0.00 0.02 0.00 0.00 35.03 35.76 3bd0 n LYS 148 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3bd0 n ASP 149 N -3.41 0.95 -0.77 3.14 8.00 -1.26 -4.45 116.55 118.76 3bd0 n ASP 149 Ca 0.03 -0.79 0.07 0.00 0.71 0.00 0.00 54.79 54.82 3bd0 n ASP 149 Cb 0.12 0.59 0.21 0.00 -0.02 0.00 0.00 41.12 42.02 3bd0 n ASP 149 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3bd0 n GLU 150 N -1.24 2.87 -4.12 -1.24 1.02 0.96 -4.99 120.64 113.90 3bd0 n GLU 150 Ca 0.06 -2.53 -0.15 0.00 -0.02 0.00 0.00 57.16 54.52 3bd0 n GLU 150 Cb 0.35 -1.62 -0.13 0.00 -0.02 0.00 0.00 31.44 30.02 3bd0 n GLU 150 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3bd0 s PHE 151 N -2.16 0.63 0.43 -0.32 -0.12 -1.25 -4.75 117.98 110.44 3bd0 s PHE 151 Ca 0.34 -0.33 0.07 0.00 -0.05 0.00 0.00 56.93 56.96 3bd0 s PHE 151 Cb 0.26 -0.39 -0.05 0.00 -0.63 0.00 0.00 43.02 42.21 3bd0 s PHE 151 CO 0.11 -0.05 0.16 0.95 -0.05 0.00 0.00 175.22 176.34 3bd0 s THR 152 N -0.85 2.11 0.08 -4.49 -4.23 -0.23 -4.64 115.64 103.39 3bd0 s THR 152 Ca -0.04 -1.75 0.07 0.00 -1.18 0.00 0.00 61.69 58.79 3bd0 s THR 152 Cb -0.07 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 3bd0 s THR 152 CO 0.00 0.00 -0.18 0.27 -0.54 0.00 0.00 174.62 174.17 3bd0 s ILE 153 N -2.65 1.45 -0.48 2.99 -4.36 0.13 -1.56 121.20 116.71 3bd0 s ILE 153 Ca 0.37 -1.40 0.03 0.00 -0.26 0.00 0.00 60.65 59.39 3bd0 s ILE 153 Cb 0.04 -1.33 0.13 0.00 1.25 0.00 0.00 42.46 42.55 3bd0 s ILE 153 CO 0.20 -0.10 0.25 -0.63 0.24 0.00 0.00 174.94 174.90 3bd0 s ILE 154 N -1.16 2.01 0.05 8.37 -1.09 0.21 -1.90 121.20 127.68 3bd0 s ILE 154 Ca 0.03 -2.94 -0.31 0.00 -2.23 0.00 0.00 60.65 55.20 3bd0 s ILE 154 Cb -0.10 -2.40 -0.06 0.00 -1.58 0.00 0.00 42.46 38.32 3bd0 s ILE 154 CO 0.03 -0.85 1.35 -2.84 -1.23 0.00 0.00 174.94 171.41 3bd0 s PRO 155 N 0.03 4.32 -0.07 2.79 0.02 -1.26 -1.56 135.00 139.28 3bd0 s PRO 155 Ca 0.17 1.95 0.01 0.00 0.02 0.00 0.00 61.00 63.15 3bd0 s PRO 155 Cb -0.25 -3.43 0.02 0.00 0.02 0.00 0.00 34.50 30.86 3bd0 s PRO 155 CO 0.00 -0.47 -0.06 0.08 -0.33 0.00 0.00 177.00 176.23 3bd0 s VAL 156 N 1.73 0.71 -0.26 3.83 1.01 0.03 -4.38 120.40 123.07 3bd0 s VAL 156 Ca 0.63 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.28 3bd0 s VAL 156 Cb -0.33 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3bd0 s VAL 156 CO 0.28 0.28 0.37 -0.22 0.00 0.00 0.00 175.10 175.82 3bd0 s LEU 157 N 1.20 4.05 -0.18 3.92 2.96 -0.40 -1.80 118.68 128.42 3bd0 s LEU 157 Ca -0.06 0.31 -0.12 0.00 -0.22 0.00 0.00 54.13 54.04 3bd0 s LEU 157 Cb -0.14 -2.43 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 3bd0 s LEU 157 CO -0.02 -0.17 0.21 -0.69 -1.32 0.00 0.00 176.35 174.36 3bd0 s VAL 158 N 1.97 5.36 0.00 1.68 1.01 0.43 -0.87 120.40 129.99 3bd0 s VAL 158 Ca 0.15 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3bd0 s VAL 158 Cb -0.16 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3bd0 s VAL 158 CO 0.10 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3bd0 n GLY 159 N 3.43 1.33 2.71 4.51 0.00 0.83 -1.89 105.19 116.11 3bd0 n GLY 159 Ca -0.14 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 3bd0 n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bd0 n ALA 160 N -3.00 5.62 -1.82 4.61 0.00 0.15 -4.85 120.51 121.22 3bd0 n ALA 160 Ca 0.00 -3.85 -0.41 0.00 0.00 0.00 0.00 53.44 49.18 3bd0 n ALA 160 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 19.45 15.90 3bd0 n ALA 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bd0 s LEU 161 N 2.07 4.37 0.76 0.00 1.43 -1.26 -4.73 118.68 121.31 3bd0 s LEU 161 Ca 0.48 2.80 -0.11 0.00 -1.03 0.00 0.00 54.13 56.27 3bd0 s LEU 161 Cb 0.14 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.77 3bd0 s LEU 161 CO -0.08 -0.77 1.08 -0.94 0.23 0.00 0.00 176.35 175.87 3bd0 s SER 162 N 0.26 4.79 0.34 2.29 1.04 -1.26 -4.83 113.70 116.33 3bd0 s SER 162 Ca 0.59 1.53 0.12 0.00 0.48 0.00 0.00 55.95 58.67 3bd0 s SER 162 Cb -0.44 -2.32 0.93 0.00 0.10 0.00 0.00 66.02 64.29 3bd0 s SER 162 CO 0.48 -1.81 1.76 -0.08 0.98 0.00 0.00 173.24 174.57 3bd0 h GLU 163 N -0.97 0.54 -0.35 4.02 4.81 -1.99 -0.70 114.58 119.94 3bd0 h GLU 163 Ca -0.45 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 58.61 3bd0 h GLU 163 Cb 1.24 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3bd0 h GLU 163 CO 0.57 0.36 -0.31 0.77 -0.73 0.00 0.00 179.01 179.67 3bd0 h SER 164 N 0.56 0.79 0.72 1.04 0.02 -1.99 -2.34 113.55 112.35 3bd0 h SER 164 Ca 0.61 -0.32 -0.12 0.00 -0.84 0.00 0.00 61.79 61.11 3bd0 h SER 164 Cb 1.23 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 3bd0 h SER 164 CO -0.38 1.04 -0.58 0.11 -1.14 0.00 0.00 176.83 175.87 3bd0 h LYS 165 N 0.64 0.00 -0.66 3.45 1.79 -1.57 0.30 116.57 120.52 3bd0 h LYS 165 Ca 0.07 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.47 3bd0 h LYS 165 Cb 0.84 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 3bd0 h LYS 165 CO 0.07 0.58 0.14 0.93 -1.08 0.00 0.00 179.45 180.09 3bd0 h GLU 166 N 0.00 1.07 -0.17 3.15 5.08 -1.02 -0.71 114.58 121.98 3bd0 h GLU 166 Ca -0.01 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 3bd0 h GLU 166 Cb 1.10 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 3bd0 h GLU 166 CO 0.08 0.97 -0.05 1.96 -1.00 0.00 0.00 179.01 180.97 3bd0 h GLN 167 N 0.99 0.33 0.18 2.33 4.20 -0.91 -1.77 115.11 120.46 3bd0 h GLN 167 Ca 0.20 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3bd0 h GLN 167 Cb 0.40 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3bd0 h GLN 167 CO 0.01 0.61 -0.09 0.93 -0.67 0.00 0.00 178.83 179.62 3bd0 h GLU 168 N 0.03 -0.24 -0.16 1.46 5.08 -0.36 -0.76 114.58 119.63 3bd0 h GLU 168 Ca 0.04 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3bd0 h GLU 168 Cb 0.49 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3bd0 h GLU 168 CO 0.02 -0.09 -0.30 0.74 -1.00 0.00 0.00 179.01 178.38 3bd0 h PHE 169 N -0.33 0.35 0.09 4.33 0.04 -1.21 -1.90 116.94 118.30 3bd0 h PHE 169 Ca -0.03 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.67 3bd0 h PHE 169 Cb 0.26 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.32 3bd0 h PHE 169 CO -0.04 0.58 -0.04 0.78 -0.60 0.00 0.00 178.31 178.99 3bd0 h GLY 170 N 1.05 -0.13 -0.17 -1.45 0.00 -1.13 0.08 103.07 101.32 3bd0 h GLY 170 Ca 0.04 0.05 0.12 0.00 0.00 0.00 0.00 47.33 47.53 3bd0 h GLY 170 CO 0.05 -0.05 -0.14 1.70 0.00 0.00 0.00 176.54 178.10 3bd0 h LYS 171 N -0.27 0.00 0.14 4.80 1.63 -0.98 -1.86 116.57 120.04 3bd0 h LYS 171 Ca -0.01 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 3bd0 h LYS 171 Cb 0.23 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 3bd0 h LYS 171 CO 0.02 0.00 -0.07 1.25 -3.45 0.00 0.00 179.45 177.21 3bd0 h LEU 172 N 0.00 -0.16 -0.56 5.20 5.85 -0.98 -2.79 115.31 121.88 3bd0 h LEU 172 Ca 0.28 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3bd0 h LEU 172 Cb 0.43 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3bd0 h LEU 172 CO -0.60 -0.03 0.00 0.49 -0.34 0.00 0.00 178.44 177.96 3bd0 n PHE 173 N -5.13 0.66 -0.09 1.25 3.72 -0.02 -3.31 117.46 114.54 3bd0 n PHE 173 Ca -0.09 0.26 -0.06 0.00 -0.05 0.00 0.00 57.45 57.51 3bd0 n PHE 173 Cb 0.14 -0.92 0.12 0.00 -0.94 0.00 0.00 39.48 37.88 3bd0 n PHE 173 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3bd0 h SER 174 N 0.00 0.77 -0.58 4.37 4.64 -1.04 -0.03 113.55 121.68 3bd0 h SER 174 Ca 0.00 -0.23 0.06 0.00 -0.47 0.00 0.00 61.79 61.14 3bd0 h SER 174 Cb 0.35 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 3bd0 h SER 174 CO 0.00 0.91 0.38 0.07 -0.87 0.00 0.00 176.83 177.32 3bd0 h LYS 175 N 0.70 0.56 0.02 4.77 2.10 -1.68 -1.42 116.57 121.61 3bd0 h LYS 175 Ca 0.12 -0.03 -0.21 0.00 -2.00 0.00 0.00 60.65 58.52 3bd0 h LYS 175 Cb 0.60 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.80 3bd0 h LYS 175 CO 0.04 0.37 -0.95 1.88 -2.00 0.00 0.00 179.45 178.79 3bd0 h TYR 176 N 0.58 0.34 0.00 0.07 -1.99 -1.54 -3.22 116.97 111.21 3bd0 h TYR 176 Ca 0.25 -0.20 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 3bd0 h TYR 176 Cb 0.25 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 38.94 3bd0 h TYR 176 CO -0.00 1.04 -0.10 1.25 -0.00 0.00 0.00 178.16 180.36 3bd0 h LEU 177 N 0.11 0.00 -0.43 3.88 5.85 0.00 -2.58 115.31 122.14 3bd0 h LEU 177 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3bd0 h LEU 177 Cb 1.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.63 3bd0 h LEU 177 CO 0.15 0.10 0.00 0.00 -0.34 0.00 0.00 178.44 178.35 3bd0 h ALA 178 N 1.90 1.00 -2.36 1.25 0.00 -1.37 -3.44 119.26 116.24 3bd0 h ALA 178 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3bd0 h ALA 178 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3bd0 h ALA 178 CO 0.01 0.00 0.45 0.34 0.00 0.00 0.00 179.25 180.05 3bd0 s ASP 179 N -5.49 7.27 0.56 0.00 -1.08 -0.97 -4.95 116.67 112.00 3bd0 s ASP 179 Ca 0.06 1.54 0.36 0.00 -0.52 0.00 0.00 52.55 54.00 3bd0 s ASP 179 Cb 0.08 -2.55 1.74 0.00 -1.46 0.00 0.00 42.92 40.73 3bd0 s ASP 179 CO 0.59 -0.35 2.09 -0.65 0.52 0.00 0.00 175.17 177.38 3bd0 h PRO 180 N 6.97 0.00 0.00 4.34 0.11 -1.88 -2.43 132.00 139.10 3bd0 h PRO 180 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3bd0 h PRO 180 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3bd0 h PRO 180 CO 0.80 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.02 3bd0 n SER 181 N -2.96 0.00 -4.75 -2.05 7.64 -1.26 -4.55 113.62 105.68 3bd0 n SER 181 Ca -0.01 -0.83 -0.23 0.00 1.01 0.00 0.00 58.87 58.82 3bd0 n SER 181 Cb 0.19 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.32 3bd0 n SER 181 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3bd0 s ASN 182 N -2.02 4.85 -0.23 6.43 0.01 -0.92 -0.53 114.94 122.54 3bd0 s ASN 182 Ca 0.41 -0.67 -0.08 0.00 -0.71 0.00 0.00 52.86 51.81 3bd0 s ASN 182 Cb 0.19 -0.84 0.10 0.00 0.41 0.00 0.00 41.25 41.11 3bd0 s ASN 182 CO 0.32 -0.26 0.49 -0.22 -1.51 0.00 0.00 177.10 175.92 3bd0 s LEU 183 N -3.86 -0.78 -0.33 0.60 2.96 -0.59 -4.75 118.68 111.93 3bd0 s LEU 183 Ca 0.37 1.17 -0.14 0.00 -0.22 0.00 0.00 54.13 55.32 3bd0 s LEU 183 Cb -0.04 1.65 -0.02 0.00 0.50 0.00 0.00 46.19 48.28 3bd0 s LEU 183 CO 0.23 -0.23 0.29 -0.36 -1.32 0.00 0.00 176.35 174.97 3bd0 s PHE 184 N 2.63 3.22 -0.39 5.38 0.08 -0.63 0.28 117.98 128.57 3bd0 s PHE 184 Ca -0.03 -0.05 -0.22 0.00 0.12 0.00 0.00 56.93 56.75 3bd0 s PHE 184 Cb -0.12 -2.55 0.01 0.00 -0.57 0.00 0.00 43.02 39.79 3bd0 s PHE 184 CO -0.15 -0.35 0.72 0.08 -0.10 0.00 0.00 175.22 175.42 3bd0 s VAL 185 N 1.87 4.78 -0.27 -0.44 1.01 0.12 -0.62 120.40 126.85 3bd0 s VAL 185 Ca 0.09 0.60 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 3bd0 s VAL 185 Cb -0.17 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 3bd0 s VAL 185 CO 0.11 -0.47 0.17 -0.69 0.00 0.00 0.00 175.10 174.23 3bd0 s VAL 186 N 2.97 5.25 -0.25 2.92 1.01 0.47 -0.78 120.40 132.00 3bd0 s VAL 186 Ca 0.28 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.31 3bd0 s VAL 186 Cb -0.13 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3bd0 s VAL 186 CO 0.18 0.28 0.14 -0.55 0.00 0.00 0.00 175.10 175.15 3bd0 s SER 187 N 1.59 5.84 -0.28 3.32 0.15 -0.59 -1.88 113.70 121.85 3bd0 s SER 187 Ca 0.07 0.00 -0.22 0.00 0.70 0.00 0.00 55.95 56.50 3bd0 s SER 187 Cb -0.15 -2.06 0.12 0.00 -1.71 0.00 0.00 66.02 62.22 3bd0 s SER 187 CO 0.09 0.01 0.98 -0.55 1.20 0.00 0.00 173.24 174.98 3bd0 s SER 188 N 1.37 -0.51 0.61 5.45 0.15 -0.40 -4.28 113.70 116.09 3bd0 s SER 188 Ca 0.07 0.92 -0.07 0.00 0.70 0.00 0.00 55.95 57.57 3bd0 s SER 188 Cb -0.15 1.02 0.01 0.00 -1.71 0.00 0.00 66.02 65.18 3bd0 s SER 188 CO 0.06 -0.15 0.94 -1.81 1.20 0.00 0.00 173.24 173.48 3bd0 s ASP 189 N 0.58 5.63 0.00 5.45 1.01 -1.26 -3.41 116.67 124.67 3bd0 s ASP 189 Ca -0.01 0.84 0.00 0.00 0.71 0.00 0.00 52.55 54.09 3bd0 s ASP 189 Cb -0.05 -1.81 0.00 0.00 1.01 0.00 0.00 42.92 42.07 3bd0 s ASP 189 CO -0.09 -1.08 0.00 0.49 0.21 0.00 0.00 175.17 174.70 3bd0 n PHE 190 N -2.65 0.00 -1.70 4.23 3.01 0.10 -3.58 117.46 116.88 3bd0 n PHE 190 Ca 0.05 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.08 3bd0 n PHE 190 Cb 0.57 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.01 3bd0 n PHE 190 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3bd0 s HIS 192 N 2.22 3.34 -0.12 0.00 3.76 -1.20 -0.71 115.29 122.58 3bd0 s HIS 192 Ca 0.80 -1.42 -0.05 0.00 -0.15 0.00 0.00 55.06 54.24 3bd0 s HIS 192 Cb -0.50 -3.84 -0.04 0.00 1.11 0.00 0.00 32.58 29.31 3bd0 s HIS 192 CO 0.36 -1.06 0.06 -0.46 -0.85 0.00 0.00 174.74 172.79 3bd0 s TRP 193 N 1.42 3.32 0.00 1.40 -0.00 0.24 -4.68 118.94 120.65 3bd0 s TRP 193 Ca 0.08 0.27 0.00 0.00 -0.00 0.00 0.00 56.10 56.45 3bd0 s TRP 193 Cb -0.24 -1.91 0.00 0.00 -0.00 0.00 0.00 33.47 31.32 3bd0 s TRP 193 CO 0.00 0.47 0.00 0.41 -0.00 0.00 0.00 176.95 177.84 3bd0 n GLY 194 N 2.45 3.78 0.23 5.86 0.00 0.43 -1.81 105.19 116.13 3bd0 n GLY 194 Ca -0.19 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3bd0 n GLY 194 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3bd0 h GLN 195 N 0.00 0.33 0.00 1.61 4.15 -1.79 -1.41 115.11 117.99 3bd0 h GLN 195 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3bd0 h GLN 195 Cb 0.00 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.62 3bd0 h GLN 195 CO 0.00 0.22 0.10 0.07 -1.93 0.00 0.00 178.83 177.28 3bd0 h ARG 196 N 0.34 0.00 -0.03 1.69 0.11 -1.93 0.23 114.38 114.78 3bd0 h ARG 196 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 3bd0 h ARG 196 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 3bd0 h ARG 196 CO -0.35 0.00 0.00 1.19 0.10 0.00 0.00 179.97 180.91 3bd0 n PHE 197 N -2.57 0.02 -2.93 4.08 3.01 -0.60 -4.99 117.46 113.50 3bd0 n PHE 197 Ca -0.02 -0.02 -0.22 0.00 1.01 0.00 0.00 57.45 58.20 3bd0 n PHE 197 Cb 0.14 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.63 3bd0 n PHE 197 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3bd0 n ARG 198 N 0.72 -4.02 -3.59 -1.08 1.74 0.82 -4.97 116.66 106.30 3bd0 n ARG 198 Ca 0.08 0.86 -0.27 0.00 -0.77 0.00 0.00 57.85 57.75 3bd0 n ARG 198 Cb 0.33 -5.65 -0.16 0.00 -1.02 0.00 0.00 32.46 25.95 3bd0 n ARG 198 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3bd0 s TYR 199 N -3.09 0.22 -0.29 -1.55 5.04 -0.81 -5.00 117.35 111.87 3bd0 s TYR 199 Ca 0.25 -0.48 0.18 0.00 -2.44 0.00 0.00 57.07 54.58 3bd0 s TYR 199 Cb -0.11 -0.75 0.48 0.00 0.35 0.00 0.00 41.96 41.93 3bd0 s TYR 199 CO 0.31 -0.61 1.08 -1.13 -1.34 0.00 0.00 175.55 173.85 3bd0 n SER 200 N 5.27 2.24 -4.73 4.32 3.41 -1.26 -0.43 113.62 122.44 3bd0 n SER 200 Ca -0.07 -2.56 -0.42 0.00 -0.26 0.00 0.00 58.87 55.57 3bd0 n SER 200 Cb 0.47 -0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 3bd0 n SER 200 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3bd0 s TYR 201 N -3.59 2.85 -0.24 7.33 5.04 -1.26 -4.99 117.35 122.49 3bd0 s TYR 201 Ca 0.32 0.53 -0.04 0.00 -2.44 0.00 0.00 57.07 55.44 3bd0 s TYR 201 Cb 0.37 -4.11 0.09 0.00 0.35 0.00 0.00 41.96 38.67 3bd0 s TYR 201 CO -0.02 -4.00 0.17 -0.47 -1.34 0.00 0.00 175.55 169.89 3bd0 s TYR 202 N 0.70 0.02 -0.50 4.97 5.04 -1.26 -4.91 117.35 121.40 3bd0 s TYR 202 Ca 0.70 -0.35 -0.23 0.00 -2.44 0.00 0.00 57.07 54.75 3bd0 s TYR 202 Cb -0.49 -0.64 0.04 0.00 0.35 0.00 0.00 41.96 41.21 3bd0 s TYR 202 CO 0.38 -0.70 0.83 0.34 -1.34 0.00 0.00 175.55 175.06 3bd0 s ASP 203 N 2.21 6.35 0.47 4.32 -1.08 -1.26 -4.92 116.67 122.76 3bd0 s ASP 203 Ca 0.07 -0.33 0.27 0.00 -0.52 0.00 0.00 52.55 52.04 3bd0 s ASP 203 Cb -0.16 -2.40 0.75 0.00 -1.46 0.00 0.00 42.92 39.66 3bd0 s ASP 203 CO -0.23 -1.05 1.76 -0.08 0.52 0.00 0.00 175.17 176.09 3bd0 h GLU 204 N 9.13 0.00 0.00 4.34 4.81 -1.97 -1.85 114.58 129.03 3bd0 h GLU 204 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3bd0 h GLU 204 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3bd0 h GLU 204 CO 1.02 0.05 0.00 -1.13 -0.73 0.00 0.00 179.01 178.22 3bd0 n SER 205 N -3.13 0.00 0.03 1.04 3.41 -1.26 -2.91 113.62 110.80 3bd0 n SER 205 Ca 0.02 0.44 0.12 0.00 -0.26 0.00 0.00 58.87 59.19 3bd0 n SER 205 Cb 0.45 -0.46 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 3bd0 n SER 205 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bd0 n GLN 206 N -1.46 0.22 0.00 4.33 1.13 -0.70 -5.05 117.38 115.85 3bd0 n GLN 206 Ca 0.02 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 3bd0 n GLN 206 Cb 0.09 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 28.83 3bd0 n GLN 206 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3bd0 n GLY 207 N 1.39 0.19 3.90 1.08 0.00 -1.15 -4.38 105.19 106.22 3bd0 n GLY 207 Ca 0.03 -1.42 -0.28 0.00 0.00 0.00 0.00 46.02 44.35 3bd0 n GLY 207 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bd0 s GLU 208 N 0.00 3.10 0.21 1.61 2.56 -1.26 -4.83 118.70 120.09 3bd0 s GLU 208 Ca 0.00 0.24 -0.11 0.00 0.00 0.00 0.00 54.97 55.09 3bd0 s GLU 208 Cb 0.00 -2.21 0.29 0.00 2.00 0.00 0.00 34.13 34.21 3bd0 s GLU 208 CO 0.00 -0.67 1.65 0.82 -0.56 0.00 0.00 175.26 176.50 3bd0 h ILE 209 N -0.23 0.45 0.00 -3.70 2.04 -1.84 0.22 117.51 114.45 3bd0 h ILE 209 Ca -0.45 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 3bd0 h ILE 209 Cb 1.24 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3bd0 h ILE 209 CO 0.62 0.01 -0.00 0.10 0.00 0.00 0.00 178.15 178.88 3bd0 h TYR 210 N 0.08 0.00 0.05 1.37 -0.00 -1.76 0.12 116.97 116.83 3bd0 h TYR 210 Ca 0.32 0.00 -0.23 0.00 0.00 0.00 0.00 58.73 58.82 3bd0 h TYR 210 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.24 3bd0 h TYR 210 CO -0.41 0.00 -1.04 0.00 -0.00 0.00 0.00 178.16 176.72 3bd0 h ARG 211 N 0.00 0.23 -0.51 0.10 2.47 -0.93 -2.01 114.38 113.74 3bd0 h ARG 211 Ca -0.00 -0.32 -0.05 0.00 -1.26 0.00 0.00 59.98 58.36 3bd0 h ARG 211 Cb 0.01 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 3bd0 h ARG 211 CO 0.00 1.08 0.14 1.03 0.56 0.00 0.00 179.97 182.78 3bd0 h SER 212 N 0.10 0.77 -0.65 7.04 0.87 0.08 -0.86 113.55 120.90 3bd0 h SER 212 Ca -0.08 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 3bd0 h SER 212 Cb 1.72 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.45 3bd0 h SER 212 CO 0.16 0.79 0.35 0.40 -0.53 0.00 0.00 176.83 178.00 3bd0 h ILE 213 N 0.71 1.21 0.26 2.23 2.04 -0.81 0.18 117.51 123.33 3bd0 h ILE 213 Ca 0.16 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3bd0 h ILE 213 Cb 0.31 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3bd0 h ILE 213 CO -0.00 0.23 -0.12 -0.08 0.00 0.00 0.00 178.15 178.18 3bd0 h GLU 214 N 0.89 -0.34 -0.41 2.37 4.81 -1.11 0.08 114.58 120.87 3bd0 h GLU 214 Ca 0.23 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.56 3bd0 h GLU 214 Cb 0.06 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 3bd0 h GLU 214 CO -0.03 -0.19 0.00 1.25 -0.73 0.00 0.00 179.01 179.30 3bd0 h HIS 215 N -0.39 -0.02 -0.50 0.92 2.76 -0.99 0.16 115.15 117.10 3bd0 h HIS 215 Ca -0.04 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 3bd0 h HIS 215 Cb 0.30 0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.26 3bd0 h HIS 215 CO -0.05 -0.08 0.12 1.25 -1.30 0.00 0.00 177.93 177.87 3bd0 h LEU 216 N 0.11 0.05 0.03 0.26 6.46 -0.67 -0.82 115.31 120.72 3bd0 h LEU 216 Ca 0.20 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 58.04 3bd0 h LEU 216 Cb 0.29 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 3bd0 h LEU 216 CO -0.34 0.05 -0.01 0.44 -0.62 0.00 0.00 178.44 177.96 3bd0 h ASP 217 N 0.27 -0.03 -0.02 1.25 3.32 -0.25 -3.07 116.42 117.89 3bd0 h ASP 217 Ca 0.25 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3bd0 h ASP 217 Cb 0.32 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 3bd0 h ASP 217 CO -0.31 0.41 0.02 0.11 -1.72 0.00 0.00 179.24 177.76 3bd0 h LYS 218 N -0.48 0.00 -0.13 3.56 1.79 -0.53 0.34 116.57 121.12 3bd0 h LYS 218 Ca -0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 3bd0 h LYS 218 Cb 0.45 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3bd0 h LYS 218 CO 0.01 0.00 -0.22 1.98 -1.08 0.00 0.00 179.45 180.13 3bd0 h MET 219 N 0.00 0.38 -0.12 3.15 4.05 -1.11 -1.02 114.93 120.27 3bd0 h MET 219 Ca 0.01 -0.24 -0.13 0.00 -0.28 0.00 0.00 59.70 59.06 3bd0 h MET 219 Cb 0.06 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 3bd0 h MET 219 CO -0.00 0.83 -0.50 0.78 0.23 0.00 0.00 176.91 178.24 3bd0 h GLY 220 N -0.02 0.34 1.41 1.39 0.00 -1.01 -2.77 103.07 102.40 3bd0 h GLY 220 Ca 0.01 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 3bd0 h GLY 220 CO 0.05 0.33 -0.25 -0.33 0.00 0.00 0.00 176.54 176.35 3bd0 h MET 221 N 0.24 0.68 -0.35 4.80 2.07 -0.41 -2.68 114.93 119.29 3bd0 h MET 221 Ca 0.01 -0.28 -0.11 0.00 -2.07 0.00 0.00 59.70 57.25 3bd0 h MET 221 Cb 0.97 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.66 3bd0 h MET 221 CO 0.08 0.86 -0.25 1.03 1.07 0.00 0.00 176.91 179.70 3bd0 h SER 222 N 0.59 0.72 -0.41 1.22 0.87 -1.05 -2.28 113.55 113.20 3bd0 h SER 222 Ca 0.08 -0.26 -0.09 0.00 -1.23 0.00 0.00 61.79 60.29 3bd0 h SER 222 Cb 0.73 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3bd0 h SER 222 CO 0.06 0.94 -0.10 0.40 -0.53 0.00 0.00 176.83 177.59 3bd0 h ILE 223 N 0.61 1.27 -0.53 2.23 2.04 -1.40 -2.33 117.51 119.40 3bd0 h ILE 223 Ca 0.08 -1.20 0.06 0.00 1.00 0.00 0.00 64.86 64.80 3bd0 h ILE 223 Cb 0.75 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 3bd0 h ILE 223 CO 0.06 0.41 0.23 0.40 0.00 0.00 0.00 178.15 179.24 3bd0 h ILE 224 N 0.62 0.88 -0.01 -0.67 2.04 -1.39 -0.26 117.51 118.73 3bd0 h ILE 224 Ca 0.10 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3bd0 h ILE 224 Cb 0.63 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3bd0 h ILE 224 CO 0.04 0.08 0.05 -0.33 0.00 0.00 0.00 178.15 177.99 3bd0 h GLU 225 N 0.43 0.00 -0.01 2.37 5.08 -0.99 0.25 114.58 121.71 3bd0 h GLU 225 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3bd0 h GLU 225 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3bd0 h GLU 225 CO -0.22 0.00 -0.07 1.04 -1.00 0.00 0.00 179.01 178.76 3bd0 n GLN 226 N -3.14 0.93 -3.85 2.33 1.13 -0.12 -4.51 117.38 110.16 3bd0 n GLN 226 Ca -0.03 -0.33 -0.26 0.00 -1.94 0.00 0.00 57.00 54.44 3bd0 n GLN 226 Cb 0.12 -1.49 0.02 0.00 0.11 0.00 0.00 30.24 29.00 3bd0 n GLN 226 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3bd0 n LEU 227 N -0.75 -2.71 -3.90 1.08 4.77 0.86 -4.95 117.00 111.41 3bd0 n LEU 227 Ca 0.17 -0.83 -0.30 0.00 -0.03 0.00 0.00 56.01 55.02 3bd0 n LEU 227 Cb 0.26 -2.55 -0.15 0.00 -2.33 0.00 0.00 43.42 38.65 3bd0 n LEU 227 CO 0.21 0.44 -0.31 -0.62 -1.33 0.00 0.00 177.39 175.78 3bd0 s ASP 228 N -3.83 4.40 0.19 -1.43 -1.08 -1.24 -4.67 116.67 109.01 3bd0 s ASP 228 Ca 0.34 -2.12 -0.12 0.00 -0.52 0.00 0.00 52.55 50.13 3bd0 s ASP 228 Cb -0.17 -1.34 0.14 0.00 -1.46 0.00 0.00 42.92 40.08 3bd0 s ASP 228 CO 0.83 -0.37 1.83 1.55 0.52 0.00 0.00 175.17 179.54 3bd0 h PRO 229 N 7.58 0.73 -0.21 4.34 0.13 -1.91 -2.14 132.00 140.52 3bd0 h PRO 229 Ca -0.07 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 3bd0 h PRO 229 Cb 1.00 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3bd0 h PRO 229 CO 0.52 0.48 0.06 0.28 -0.23 0.00 0.00 178.00 179.11 3bd0 h VAL 230 N 0.75 1.20 -0.93 1.56 2.07 -1.98 0.62 116.25 119.55 3bd0 h VAL 230 Ca 0.24 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3bd0 h VAL 230 Cb 0.00 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 3bd0 h VAL 230 CO -0.09 0.20 0.59 -1.28 0.02 0.00 0.00 177.57 177.01 3bd0 h SER 231 N 0.16 1.08 -0.14 0.57 0.87 -1.96 -0.16 113.55 113.97 3bd0 h SER 231 Ca 0.07 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 3bd0 h SER 231 Cb 0.26 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3bd0 h SER 231 CO -0.00 0.80 -0.01 0.15 -0.53 0.00 0.00 176.83 177.24 3bd0 h PHE 232 N 1.26 0.28 -0.87 2.24 3.57 -1.11 -0.94 116.94 121.37 3bd0 h PHE 232 Ca 0.34 -0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.93 3bd0 h PHE 232 Cb -0.11 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 38.46 3bd0 h PHE 232 CO 0.00 0.49 0.48 1.03 -2.23 0.00 0.00 178.31 178.08 3bd0 h SER 233 N -0.02 0.61 0.18 0.41 0.87 -0.45 -0.38 113.55 114.78 3bd0 h SER 233 Ca 0.04 0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.54 3bd0 h SER 233 Cb 0.39 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3bd0 h SER 233 CO 0.01 0.28 -0.52 0.78 -0.53 0.00 0.00 176.83 176.85 3bd0 h ASN 234 N 0.70 0.41 -0.69 6.23 -0.26 -0.78 -1.61 115.58 119.58 3bd0 h ASN 234 Ca 0.47 -0.21 -0.04 0.00 -0.56 0.00 0.00 56.30 55.96 3bd0 h ASN 234 Cb 0.62 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.73 3bd0 h ASN 234 CO -0.34 0.85 0.28 0.22 -1.06 0.00 0.00 177.43 177.39 3bd0 h TYR 235 N 0.29 1.06 -0.30 1.19 3.20 -0.23 -1.30 116.97 120.89 3bd0 h TYR 235 Ca 0.01 -0.07 -0.14 0.00 3.14 0.00 0.00 58.73 61.67 3bd0 h TYR 235 Cb 1.01 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 3bd0 h TYR 235 CO 0.03 0.81 -0.39 -0.07 -1.64 0.00 0.00 178.16 176.90 3bd0 h LEU 236 N 1.03 0.74 -1.48 2.82 3.38 -0.62 -2.49 115.31 118.68 3bd0 h LEU 236 Ca 0.24 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3bd0 h LEU 236 Cb 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3bd0 h LEU 236 CO -0.02 1.05 -0.26 0.11 0.09 0.00 0.00 178.44 179.40 3bd0 h LYS 237 N 0.58 0.00 0.14 1.13 1.57 -1.00 0.18 116.57 119.17 3bd0 h LYS 237 Ca 0.05 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.49 3bd0 h LYS 237 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 3bd0 h LYS 237 CO 0.08 0.26 -1.79 -0.22 -0.57 0.00 0.00 179.45 177.22 3bd0 h LYS 238 N 0.00 0.30 0.00 3.15 3.64 -0.96 -3.41 116.57 119.29 3bd0 h LYS 238 Ca -0.00 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3bd0 h LYS 238 Cb 0.48 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3bd0 h LYS 238 CO 0.03 1.20 -0.35 0.66 -2.27 0.00 0.00 179.45 178.73 3bd0 n TYR 239 N -3.50 0.00 -3.69 1.91 4.01 -0.96 -5.02 117.16 109.91 3bd0 n TYR 239 Ca -0.25 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.21 3bd0 n TYR 239 Cb 1.06 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 40.07 3bd0 n TYR 239 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3bd0 n HIS 240 N -1.18 -1.79 -1.64 -0.72 8.25 0.05 -4.86 115.22 113.34 3bd0 n HIS 240 Ca 0.00 0.59 -0.45 0.00 -0.26 0.00 0.00 57.72 57.60 3bd0 n HIS 240 Cb 0.04 -2.88 -0.03 0.00 1.12 0.00 0.00 29.99 28.24 3bd0 n HIS 240 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3bd0 n ASN 241 N -2.41 2.23 -3.68 0.41 4.05 -1.26 -4.80 115.26 109.80 3bd0 n ASN 241 Ca 0.03 1.15 -0.42 0.00 0.45 0.00 0.00 54.58 55.79 3bd0 n ASN 241 Cb 0.52 -1.36 -0.00 0.00 1.23 0.00 0.00 39.78 40.16 3bd0 n ASN 241 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 3bd0 n THR 242 N 1.44 3.78 -3.10 -0.44 -2.24 -1.26 -4.88 114.28 107.58 3bd0 n THR 242 Ca 0.11 -3.21 -0.45 0.00 -2.27 0.00 0.00 64.05 58.24 3bd0 n THR 242 Cb 0.30 -2.55 -0.04 0.00 -2.10 0.00 0.00 70.33 65.94 3bd0 n THR 242 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3bd0 s ILE 243 N 2.47 4.88 0.05 2.28 1.01 -1.26 -3.23 121.20 127.39 3bd0 s ILE 243 Ca 0.49 -1.24 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 3bd0 s ILE 243 Cb 0.14 -4.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.05 3bd0 s ILE 243 CO -0.07 -1.19 0.51 0.00 0.00 0.00 0.00 174.94 174.19 3bd0 n GLY 245 N -1.07 3.87 0.25 0.00 0.00 -1.26 -4.54 105.19 102.43 3bd0 n GLY 245 Ca 0.01 -0.88 0.17 0.00 0.00 0.00 0.00 46.02 45.32 3bd0 n GLY 245 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3bd0 h ARG 246 N 0.85 0.00 0.00 1.61 0.11 -1.62 -1.48 114.38 113.85 3bd0 h ARG 246 Ca 0.42 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 60.24 3bd0 h ARG 246 Cb 2.01 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 33.05 3bd0 h ARG 246 CO 0.80 0.00 -1.43 0.72 0.10 0.00 0.00 179.97 180.16 3bd0 n HIS 247 N -2.69 0.87 -0.29 4.08 8.25 -1.26 -2.68 115.22 121.49 3bd0 n HIS 247 Ca -0.02 0.37 0.12 0.00 -0.26 0.00 0.00 57.72 57.93 3bd0 n HIS 247 Cb 0.09 -1.08 0.28 0.00 1.12 0.00 0.00 29.99 30.40 3bd0 n HIS 247 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3bd0 h PRO 248 N -1.00 0.32 -0.74 -0.41 0.11 -1.87 0.74 132.00 129.15 3bd0 h PRO 248 Ca -0.39 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 3bd0 h PRO 248 Cb 1.33 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 3bd0 h PRO 248 CO -0.24 0.21 0.45 0.82 -0.21 0.00 0.00 178.00 179.04 3bd0 h ILE 249 N 0.33 1.21 -0.33 4.15 2.04 -1.41 0.54 117.51 124.05 3bd0 h ILE 249 Ca 0.53 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.97 3bd0 h ILE 249 Cb 1.00 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3bd0 h ILE 249 CO -0.55 0.22 0.12 1.23 0.00 0.00 0.00 178.15 179.16 3bd0 h GLY 250 N 1.01 0.42 0.84 5.37 0.00 -0.95 0.05 103.07 109.80 3bd0 h GLY 250 Ca 0.27 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.54 3bd0 h GLY 250 CO -0.05 0.04 0.05 -2.08 0.00 0.00 0.00 176.54 174.50 3bd0 h VAL 251 N 0.26 0.95 -0.05 4.60 2.07 -0.28 -1.78 116.25 122.02 3bd0 h VAL 251 Ca 0.15 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.66 3bd0 h VAL 251 Cb 0.11 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 3bd0 h VAL 251 CO -0.15 0.02 -0.35 0.25 0.02 0.00 0.00 177.57 177.36 3bd0 h LEU 252 N 0.13 -1.08 -1.33 2.57 5.85 -0.54 -0.87 115.31 120.04 3bd0 h LEU 252 Ca 0.08 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.97 3bd0 h LEU 252 Cb 0.06 0.44 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3bd0 h LEU 252 CO -0.09 -0.40 0.47 -0.07 -0.34 0.00 0.00 178.44 178.01 3bd0 h LEU 253 N -0.48 0.75 -0.31 2.25 3.38 -0.82 0.15 115.31 120.24 3bd0 h LEU 253 Ca 0.07 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3bd0 h LEU 253 Cb 0.59 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3bd0 h LEU 253 CO -0.32 0.52 -0.25 0.78 0.09 0.00 0.00 178.44 179.27 3bd0 h ASN 254 N 0.88 0.76 -0.92 -0.43 2.35 -0.96 -0.81 115.58 116.43 3bd0 h ASN 254 Ca 0.28 -0.45 0.05 0.00 -0.55 0.00 0.00 56.30 55.63 3bd0 h ASN 254 Cb 0.04 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.14 3bd0 h ASN 254 CO -0.08 1.04 0.60 0.00 -1.65 0.00 0.00 177.43 177.35 3bd0 h ALA 255 N 0.73 1.44 -0.32 -0.83 0.00 -0.44 -1.26 119.26 118.60 3bd0 h ALA 255 Ca 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3bd0 h ALA 255 Cb 0.81 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3bd0 h ALA 255 CO 0.06 0.46 -0.01 0.82 0.00 0.00 0.00 179.25 180.58 3bd0 h ILE 256 N 1.12 1.26 -0.18 0.00 2.04 -0.35 -2.89 117.51 118.52 3bd0 h ILE 256 Ca 0.38 -0.98 -0.08 0.00 1.00 0.00 0.00 64.86 65.18 3bd0 h ILE 256 Cb 0.07 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3bd0 h ILE 256 CO -0.12 0.32 -0.24 0.71 0.00 0.00 0.00 178.15 178.81 3bd0 h THR 257 N 0.36 1.24 -0.50 -0.27 1.35 -0.89 -1.57 112.91 112.63 3bd0 h THR 257 Ca 0.09 -1.14 0.01 0.00 -0.55 0.00 0.00 66.41 64.81 3bd0 h THR 257 Cb 0.46 1.37 -0.02 0.00 -1.73 0.00 0.00 68.15 68.23 3bd0 h THR 257 CO 0.02 0.35 0.33 -0.08 -0.25 0.00 0.00 175.52 175.89 3bd0 h GLU 258 N 0.30 0.65 0.00 4.72 4.57 -1.12 -2.00 114.58 121.68 3bd0 h GLU 258 Ca 0.05 -0.04 -0.23 0.00 -1.18 0.00 0.00 59.36 57.95 3bd0 h GLU 258 Cb 0.59 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 3bd0 h GLU 258 CO 0.04 0.43 -1.33 -0.07 -1.18 0.00 0.00 179.01 176.90 3bd0 h LEU 259 N 0.66 0.00 -1.37 1.64 3.38 -1.24 -3.23 115.31 115.15 3bd0 h LEU 259 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3bd0 h LEU 259 Cb -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3bd0 h LEU 259 CO -0.04 0.91 0.37 1.56 0.09 0.00 0.00 178.44 181.33 3bd0 h GLN 260 N 0.00 0.79 0.00 1.13 4.20 -0.89 -1.67 115.11 118.67 3bd0 h GLN 260 Ca -0.15 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3bd0 h GLN 260 Cb 1.83 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.44 3bd0 h GLN 260 CO 0.09 0.55 0.00 0.87 -0.67 0.00 0.00 178.83 179.67 3bd0 h LYS 261 N 0.81 0.00 -0.39 1.46 1.57 -1.39 -2.04 116.57 116.58 3bd0 h LYS 261 Ca 0.22 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 3bd0 h LYS 261 Cb -0.05 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.19 3bd0 h LYS 261 CO -0.04 0.00 0.04 0.09 -0.57 0.00 0.00 179.45 178.97 3bd0 n ASN 262 N -2.66 3.63 0.00 0.86 3.02 -0.64 -4.96 115.26 114.51 3bd0 n ASN 262 Ca -0.01 -3.30 0.00 0.00 -0.03 0.00 0.00 54.58 51.24 3bd0 n ASN 262 Cb 0.10 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 3bd0 n ASN 262 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bd0 n GLY 263 N -0.65 0.81 3.76 7.41 0.00 -0.77 -5.03 105.19 110.72 3bd0 n GLY 263 Ca 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 3bd0 n GLY 263 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bd0 s MET 264 N -0.13 4.63 -0.16 1.61 -1.94 -1.11 -5.03 119.30 117.18 3bd0 s MET 264 Ca 0.00 1.76 -0.04 0.00 -1.71 0.00 0.00 55.69 55.71 3bd0 s MET 264 Cb 0.00 -3.16 -0.03 0.00 2.01 0.00 0.00 34.83 33.65 3bd0 s MET 264 CO 0.00 0.22 -0.04 -0.80 -0.01 0.00 0.00 175.02 174.39 3bd0 s ASN 265 N -0.94 4.74 -0.00 3.03 0.01 -1.24 -4.35 114.94 116.20 3bd0 s ASN 265 Ca 0.45 -0.15 -0.03 0.00 -0.71 0.00 0.00 52.86 52.42 3bd0 s ASN 265 Cb -0.31 -1.78 -0.00 0.00 0.41 0.00 0.00 41.25 39.57 3bd0 s ASN 265 CO 0.40 0.16 0.05 -0.04 -1.51 0.00 0.00 177.10 176.15 3bd0 s MET 266 N 0.44 0.27 -0.02 -0.60 -1.94 -1.26 -0.77 119.30 115.43 3bd0 s MET 266 Ca -0.04 -0.31 0.06 0.00 -1.71 0.00 0.00 55.69 53.70 3bd0 s MET 266 Cb -0.14 0.11 -0.01 0.00 2.01 0.00 0.00 34.83 36.79 3bd0 s MET 266 CO 0.03 -0.05 -0.21 -1.54 -0.01 0.00 0.00 175.02 173.23 3bd0 s SER 267 N -0.91 2.50 -0.11 3.03 1.04 -0.93 -4.99 113.70 113.34 3bd0 s SER 267 Ca -0.10 -0.39 -0.05 0.00 0.48 0.00 0.00 55.95 55.89 3bd0 s SER 267 Cb -0.06 -0.34 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 3bd0 s SER 267 CO 0.00 0.25 0.07 0.12 0.98 0.00 0.00 173.24 174.66 3bd0 s PHE 268 N -0.43 3.36 -0.06 5.02 5.36 -1.26 -1.00 117.98 128.97 3bd0 s PHE 268 Ca 0.06 0.33 0.01 0.00 -0.96 0.00 0.00 56.93 56.37 3bd0 s PHE 268 Cb -0.09 -1.88 0.02 0.00 -0.34 0.00 0.00 43.02 40.73 3bd0 s PHE 268 CO -0.00 0.56 -0.06 -1.12 -1.46 0.00 0.00 175.22 173.14 3bd0 s SER 269 N -0.85 1.34 0.17 6.13 0.01 -0.59 -4.68 113.70 115.23 3bd0 s SER 269 Ca 0.13 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.91 3bd0 s SER 269 Cb -0.12 -0.57 -0.07 0.00 0.21 0.00 0.00 66.02 65.47 3bd0 s SER 269 CO 0.03 -0.06 0.97 -0.36 0.41 0.00 0.00 173.24 174.23 3bd0 s PHE 270 N 1.09 3.85 -0.09 2.43 0.08 -1.26 -1.18 117.98 122.89 3bd0 s PHE 270 Ca -0.08 1.82 0.10 0.00 0.12 0.00 0.00 56.93 58.89 3bd0 s PHE 270 Cb -0.14 -3.06 -0.15 0.00 -0.57 0.00 0.00 43.02 39.10 3bd0 s PHE 270 CO -0.01 0.18 0.26 1.28 -0.10 0.00 0.00 175.22 176.83 3bd0 n LEU 271 N 2.19 0.08 -3.59 -0.37 7.99 0.19 -4.94 117.00 118.55 3bd0 n LEU 271 Ca 0.01 -0.08 -0.16 0.00 -0.01 0.00 0.00 56.01 55.76 3bd0 n LEU 271 Cb 0.48 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.72 3bd0 n LEU 271 CO 0.51 0.02 0.33 0.21 -1.51 0.00 0.00 177.39 176.95 3bd0 s ASN 272 N -2.98 -0.55 -0.02 -1.43 2.47 -1.11 -5.01 114.94 106.31 3bd0 s ASN 272 Ca -0.03 0.65 0.00 0.00 0.42 0.00 0.00 52.86 53.91 3bd0 s ASN 272 Cb 0.07 0.59 0.02 0.00 -1.45 0.00 0.00 41.25 40.48 3bd0 s ASN 272 CO 0.42 -0.52 0.01 -0.47 -3.72 0.00 0.00 177.10 172.82 3bd0 s TYR 273 N -1.02 0.16 0.04 0.43 6.14 -1.26 -1.78 117.35 120.06 3bd0 s TYR 273 Ca -0.10 0.04 -0.03 0.00 0.64 0.00 0.00 57.07 57.62 3bd0 s TYR 273 Cb -0.02 -0.26 -0.02 0.00 0.42 0.00 0.00 41.96 42.08 3bd0 s TYR 273 CO 0.07 -0.08 0.04 0.00 0.64 0.00 0.00 175.55 176.22 3bd0 s ALA 274 N 0.77 0.12 -0.02 3.97 0.00 0.69 -5.00 121.76 122.29 3bd0 s ALA 274 Ca -0.07 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.20 3bd0 s ALA 274 Cb -0.10 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 3bd0 s ALA 274 CO -0.02 -0.31 -0.19 -0.65 0.00 0.00 0.00 175.76 174.59 3bd0 s GLN 275 N -2.81 1.66 0.33 0.00 -0.21 -1.26 -0.40 119.66 116.97 3bd0 s GLN 275 Ca -0.03 -0.68 0.11 0.00 0.02 0.00 0.00 55.36 54.77 3bd0 s GLN 275 Cb 0.00 -1.55 0.91 0.00 1.00 0.00 0.00 33.01 33.36 3bd0 s GLN 275 CO -0.06 0.38 1.75 0.66 -2.12 0.00 0.00 175.29 175.90 3bd0 h SER 276 N 5.80 0.64 -5.31 5.90 4.64 -1.54 -3.44 113.55 120.24 3bd0 h SER 276 Ca -0.37 0.12 0.15 0.00 -0.47 0.00 0.00 61.79 61.22 3bd0 h SER 276 Cb 1.15 0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 63.20 3bd0 h SER 276 CO 0.48 0.13 0.48 -0.94 -0.87 0.00 0.00 176.83 176.11 3bd0 s SER 277 N -5.26 -0.11 -0.42 4.97 1.04 -1.26 -5.00 113.70 107.67 3bd0 s SER 277 Ca -0.10 -0.58 -0.07 0.00 0.48 0.00 0.00 55.95 55.69 3bd0 s SER 277 Cb 0.26 0.54 0.09 0.00 0.10 0.00 0.00 66.02 67.02 3bd0 s SER 277 CO 0.80 -1.04 0.24 -1.10 0.98 0.00 0.00 173.24 173.12 3bd0 s GLN 278 N -2.88 2.37 0.18 4.02 -0.21 -1.26 -4.80 119.66 117.08 3bd0 s GLN 278 Ca 0.15 -1.62 -0.31 0.00 0.02 0.00 0.00 55.36 53.60 3bd0 s GLN 278 Cb -0.02 -3.70 -0.09 0.00 1.00 0.00 0.00 33.01 30.19 3bd0 s GLN 278 CO 0.04 -1.02 1.46 0.00 -2.12 0.00 0.00 175.29 173.66 3bd0 n ARG 280 N 3.33 2.50 -4.62 0.00 1.74 -1.26 -1.98 116.66 116.37 3bd0 n ARG 280 Ca 0.10 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.86 3bd0 n ARG 280 Cb 0.40 -0.83 -0.07 0.00 -1.02 0.00 0.00 32.46 30.95 3bd0 n ARG 280 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3bd0 s ASN 281 N -2.39 4.21 0.56 0.55 0.01 -1.26 -4.70 114.94 111.92 3bd0 s ASN 281 Ca 0.00 -1.59 0.34 0.00 -0.71 0.00 0.00 52.86 50.90 3bd0 s ASN 281 Cb 0.00 0.51 1.54 0.00 0.41 0.00 0.00 41.25 43.71 3bd0 s ASN 281 CO 0.00 -0.89 2.05 -0.50 -1.51 0.00 0.00 177.10 176.25 3bd0 h TRP 282 N 1.25 0.00 -0.03 2.20 4.06 -2.03 -2.64 115.95 118.77 3bd0 h TRP 282 Ca -0.43 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.52 3bd0 h TRP 282 Cb 1.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.47 3bd0 h TRP 282 CO 1.45 0.04 0.00 1.04 -3.56 0.00 0.00 178.44 177.40 3bd0 n GLN 283 N -3.18 1.93 -1.98 0.49 6.02 -1.26 -4.51 117.38 114.89 3bd0 n GLN 283 Ca -0.00 -1.35 -0.31 0.00 -0.01 0.00 0.00 57.00 55.33 3bd0 n GLN 283 Cb 0.27 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.06 3bd0 n GLN 283 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3bd0 s ASP 284 N -1.98 6.15 -0.07 1.08 1.11 -1.00 -5.00 116.67 116.97 3bd0 s ASP 284 Ca 0.34 1.53 -0.18 0.00 0.18 0.00 0.00 52.55 54.42 3bd0 s ASP 284 Cb 0.21 -2.49 0.04 0.00 1.07 0.00 0.00 42.92 41.74 3bd0 s ASP 284 CO 0.32 -0.92 0.43 -0.94 1.18 0.00 0.00 175.17 175.24 3bd0 s SER 285 N -3.67 -0.37 0.16 0.27 1.04 -1.26 -4.59 113.70 105.27 3bd0 s SER 285 Ca 0.57 0.45 -0.12 0.00 0.48 0.00 0.00 55.95 57.33 3bd0 s SER 285 Cb -0.12 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.55 3bd0 s SER 285 CO 0.46 -0.40 0.36 -0.94 0.98 0.00 0.00 173.24 173.70 3bd0 s SER 286 N -0.85 -0.08 -0.04 7.02 1.04 -0.75 -4.81 113.70 115.23 3bd0 s SER 286 Ca -0.09 -0.64 0.06 0.00 0.48 0.00 0.00 55.95 55.76 3bd0 s SER 286 Cb -0.04 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 3bd0 s SER 286 CO 0.04 -0.91 -0.22 -0.69 0.98 0.00 0.00 173.24 172.45 3bd0 s VAL 287 N -3.90 1.79 0.13 5.02 1.01 -1.26 -0.59 120.40 122.60 3bd0 s VAL 287 Ca 0.11 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 3bd0 s VAL 287 Cb 0.02 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3bd0 s VAL 287 CO -0.04 0.50 0.32 -0.44 0.00 0.00 0.00 175.10 175.44 3bd0 s SER 288 N -0.17 6.42 -0.04 3.32 0.01 0.11 -1.31 113.70 122.04 3bd0 s SER 288 Ca -0.01 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.68 3bd0 s SER 288 Cb -0.12 -2.02 0.02 0.00 0.21 0.00 0.00 66.02 64.11 3bd0 s SER 288 CO 0.02 0.07 -0.02 -0.31 0.41 0.00 0.00 173.24 173.41 3bd0 s TYR 289 N -1.65 0.61 0.06 2.43 2.02 0.46 0.01 117.35 121.30 3bd0 s TYR 289 Ca 0.38 -0.14 0.07 0.00 -0.37 0.00 0.00 57.07 57.01 3bd0 s TYR 289 Cb -0.12 -0.62 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 3bd0 s TYR 289 CO 0.27 -0.20 -0.18 0.00 -1.57 0.00 0.00 175.55 173.87 3bd0 s ALA 290 N 1.13 1.52 -0.05 3.71 0.00 -1.26 -0.22 121.76 126.59 3bd0 s ALA 290 Ca -0.08 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.89 3bd0 s ALA 290 Cb -0.14 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.75 3bd0 s ALA 290 CO -0.01 0.31 -0.14 0.00 0.00 0.00 0.00 175.76 175.91 3bd0 s ALA 291 N -0.96 1.35 0.15 0.00 0.00 -0.73 -4.08 121.76 117.49 3bd0 s ALA 291 Ca 0.04 -0.54 -0.13 0.00 0.00 0.00 0.00 51.96 51.33 3bd0 s ALA 291 Cb -0.09 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.53 3bd0 s ALA 291 CO 0.02 0.19 0.36 0.20 0.00 0.00 0.00 175.76 176.54 3bd0 s GLY 292 N 0.33 0.04 0.04 0.00 0.00 -0.70 0.52 107.32 107.55 3bd0 s GLY 292 Ca -0.09 -0.42 0.06 0.00 0.00 0.00 0.00 44.72 44.27 3bd0 s GLY 292 CO 0.03 -0.53 -0.17 0.00 0.00 0.00 0.00 173.10 172.43 3bd0 s ALA 293 N -3.88 1.41 -0.10 3.20 0.00 -0.33 -0.70 121.76 121.36 3bd0 s ALA 293 Ca 0.09 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 51.06 3bd0 s ALA 293 Cb 0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 3bd0 s ALA 293 CO -0.06 0.30 0.19 -1.17 0.00 0.00 0.00 175.76 175.02 3bd0 s LEU 294 N -1.07 4.40 -0.03 0.00 2.96 0.78 -1.55 118.68 124.18 3bd0 s LEU 294 Ca 0.04 0.56 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 3bd0 s LEU 294 Cb -0.08 -2.18 -0.00 0.00 0.50 0.00 0.00 46.19 44.43 3bd0 s LEU 294 CO 0.01 0.38 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.41 3bd0 s THR 295 N -0.95 1.02 0.12 3.68 2.01 -0.17 -0.75 115.64 120.59 3bd0 s THR 295 Ca 0.16 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 61.73 3bd0 s THR 295 Cb -0.13 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 3bd0 s THR 295 CO 0.06 0.30 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.57 3bd0 s VAL 296 N 0.06 3.74 0.00 3.82 1.01 -1.26 -2.18 120.40 125.59 3bd0 s VAL 296 Ca -0.02 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.76 3bd0 s VAL 296 Cb -0.09 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.49 3bd0 s VAL 296 CO 0.01 0.05 0.00 1.41 0.00 0.00 0.00 175.10 176.57