#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 0.42 -4.81 2.52 0.24 -1.26 -4.71 118.33 110.73 3bd0 n VAL 6 Ca 0.00 -0.58 -0.33 0.00 -2.04 0.00 0.00 64.34 61.39 3bd0 n VAL 6 Cb 0.00 -0.19 -0.13 0.00 -1.47 0.00 0.00 33.84 32.04 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 -0.36 3.93 0.62 0.00 3.52 0.62 -4.98 118.95 122.29 3bd0 s ARG 8 Ca 0.04 0.36 -0.17 0.00 -0.13 0.00 0.00 55.73 55.83 3bd0 s ARG 8 Cb -0.12 -3.72 -0.02 0.00 -1.56 0.00 0.00 34.95 29.53 3bd0 s ARG 8 CO 0.02 -0.57 1.13 -1.21 -0.81 0.00 0.00 175.30 173.86 3bd0 s GLU 9 N 2.65 2.94 -1.25 5.12 0.41 -1.26 -1.18 118.70 126.13 3bd0 s GLU 9 Ca 0.26 1.52 -0.17 0.00 -0.41 0.00 0.00 54.97 56.17 3bd0 s GLU 9 Cb -0.15 -1.96 -0.02 0.00 -1.78 0.00 0.00 34.13 30.23 3bd0 s GLU 9 CO 0.12 -1.16 2.09 0.00 -0.49 0.00 0.00 175.26 175.81 3bd0 n ALA 10 N -2.02 4.59 0.41 5.21 0.00 -1.26 -4.77 120.51 122.67 3bd0 n ALA 10 Ca 0.11 -3.69 0.06 0.00 0.00 0.00 0.00 53.44 49.92 3bd0 n ALA 10 Cb 0.51 -3.57 0.27 0.00 0.00 0.00 0.00 19.45 16.66 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 7.05 0.04 -0.47 0.00 3.41 -1.26 -1.08 113.62 121.30 3bd0 n SER 11 Ca 0.51 0.51 0.05 0.00 -0.26 0.00 0.00 58.87 59.68 3bd0 n SER 11 Cb 0.40 -0.52 0.06 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.54 0.08 -1.88 7.33 8.25 -1.26 -4.97 115.22 121.23 3bd0 n HIS 12 Ca 0.03 -0.08 -0.41 0.00 -0.26 0.00 0.00 57.72 56.99 3bd0 n HIS 12 Cb 0.14 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.92 3.61 0.00 -1.41 0.00 -0.24 -2.02 121.76 120.77 3bd0 s ALA 13 Ca 0.14 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.60 3bd0 s ALA 13 Cb 0.10 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3bd0 s ALA 13 CO 0.14 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.38 3bd0 n GLY 14 N 1.10 2.98 0.07 0.00 0.00 0.56 -4.83 105.19 105.07 3bd0 n GLY 14 Ca 0.03 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 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 1.66 1.73 0.14 1.61 3.41 -0.98 -4.63 113.62 116.57 3bd0 n SER 15 Ca 0.00 0.50 0.01 0.00 -0.26 0.00 0.00 58.87 59.12 3bd0 n SER 15 Cb 0.00 -0.80 0.13 0.00 -0.26 0.00 0.00 64.21 63.28 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 -0.93 0.00 -3.65 7.33 4.06 -1.73 -3.47 115.95 117.57 3bd0 h TRP 16 Ca 0.00 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 3bd0 h TRP 16 Cb 0.64 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.70 3bd0 h TRP 16 CO -0.28 0.56 -0.15 1.52 -3.56 0.00 0.00 178.44 176.54 3bd0 s TYR 17 N -3.22 0.27 0.24 0.49 1.13 -1.25 -2.07 117.35 112.94 3bd0 s TYR 17 Ca 0.01 -0.63 -0.30 0.00 -1.41 0.00 0.00 57.07 54.75 3bd0 s TYR 17 Cb 0.10 0.16 -0.10 0.00 -1.10 0.00 0.00 41.96 41.01 3bd0 s TYR 17 CO 0.74 -0.89 1.47 0.99 -2.51 0.00 0.00 175.55 175.35 3bd0 s THR 18 N -3.97 2.61 0.15 -3.49 2.01 -1.26 -0.32 115.64 111.36 3bd0 s THR 18 Ca 0.18 0.50 0.08 0.00 0.31 0.00 0.00 61.69 62.76 3bd0 s THR 18 Cb 0.00 -3.32 -0.16 0.00 0.01 0.00 0.00 72.50 69.03 3bd0 s THR 18 CO 0.04 0.07 1.36 0.00 -0.69 0.00 0.00 174.62 175.40 3bd0 h ALA 19 N 5.33 0.50 -1.79 7.40 0.00 -1.88 -3.41 119.26 125.41 3bd0 h ALA 19 Ca -0.45 -0.82 -0.57 0.00 0.00 0.00 0.00 54.91 53.07 3bd0 h ALA 19 Cb 1.22 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 3bd0 h ALA 19 CO 0.80 1.13 1.08 0.45 0.00 0.00 0.00 179.25 182.71 3bd0 s SER 20 N -6.73 6.30 0.11 0.00 0.15 -1.26 -4.77 113.70 107.51 3bd0 s SER 20 Ca 0.01 0.83 -0.33 0.00 0.70 0.00 0.00 55.95 57.16 3bd0 s SER 20 Cb 0.11 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.76 3bd0 s SER 20 CO 0.81 -1.46 1.57 1.23 1.20 0.00 0.00 173.24 176.58 3bd0 h GLY 21 N 12.32 -0.99 -0.06 9.45 0.00 -1.85 0.19 103.07 122.12 3bd0 h GLY 21 Ca -0.28 0.59 0.19 0.00 0.00 0.00 0.00 47.33 47.83 3bd0 h GLY 21 CO 1.09 -0.26 0.38 -2.55 0.00 0.00 0.00 176.54 175.19 3bd0 h PRO 22 N -0.68 0.43 -0.19 4.80 0.11 -1.92 0.46 132.00 135.01 3bd0 h PRO 22 Ca 0.02 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 3bd0 h PRO 22 Cb 0.72 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.73 3bd0 h PRO 22 CO -0.30 0.28 -0.33 1.96 -0.21 0.00 0.00 178.00 179.40 3bd0 h GLN 23 N 0.44 0.56 -0.68 1.05 4.20 -1.73 -2.49 115.11 116.46 3bd0 h GLN 23 Ca 0.51 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3bd0 h GLN 23 Cb 0.90 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 3bd0 h GLN 23 CO -0.48 0.96 0.35 1.25 -0.67 0.00 0.00 178.83 180.24 3bd0 h LEU 24 N 0.21 0.88 -1.17 1.46 5.85 -0.11 -0.90 115.31 121.53 3bd0 h LEU 24 Ca 0.01 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3bd0 h LEU 24 Cb 0.93 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3bd0 h LEU 24 CO 0.08 0.74 0.51 -1.13 -0.34 0.00 0.00 178.44 178.30 3bd0 h ASN 25 N 0.94 0.94 -0.49 1.25 -1.24 -0.08 -1.44 115.58 115.48 3bd0 h ASN 25 Ca 0.24 -0.04 -0.11 0.00 0.71 0.00 0.00 56.30 57.10 3bd0 h ASN 25 Cb 0.08 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.88 3bd0 h ASN 25 CO -0.03 0.70 -0.12 0.00 -1.29 0.00 0.00 177.43 176.69 3bd0 h ALA 26 N 1.46 0.67 0.34 1.57 0.00 -0.99 -2.37 119.26 119.94 3bd0 h ALA 26 Ca 0.29 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3bd0 h ALA 26 Cb -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3bd0 h ALA 26 CO -0.06 0.58 -0.16 1.96 0.00 0.00 0.00 179.25 181.57 3bd0 h GLN 27 N 0.79 -0.44 -0.79 0.00 4.20 -0.70 -1.80 115.11 116.38 3bd0 h GLN 27 Ca 0.12 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.91 3bd0 h GLN 27 Cb 0.68 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.51 3bd0 h GLN 27 CO 0.05 -0.26 0.52 -0.07 -0.67 0.00 0.00 178.83 178.40 3bd0 h LEU 28 N -0.51 0.81 -0.21 1.46 3.38 -1.33 -1.21 115.31 117.70 3bd0 h LEU 28 Ca -0.05 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3bd0 h LEU 28 Cb 0.38 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3bd0 h LEU 28 CO 0.08 0.54 0.07 -0.08 0.09 0.00 0.00 178.44 179.14 3bd0 h GLU 29 N 0.93 0.16 -0.11 1.13 4.57 -1.33 -0.07 114.58 119.85 3bd0 h GLU 29 Ca 0.32 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 3bd0 h GLU 29 Cb 0.11 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3bd0 h GLU 29 CO -0.10 0.10 0.07 0.78 -1.18 0.00 0.00 179.01 178.69 3bd0 h GLY 30 N 0.16 0.15 1.00 1.92 0.00 -0.45 -0.14 103.07 105.71 3bd0 h GLY 30 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3bd0 h GLY 30 CO -0.10 0.06 0.37 1.49 0.00 0.00 0.00 176.54 178.35 3bd0 h TRP 31 N 0.15 0.91 -0.09 5.60 6.55 -1.19 -3.03 115.95 124.84 3bd0 h TRP 31 Ca 0.04 -0.02 -0.13 0.00 0.95 0.00 0.00 58.89 59.73 3bd0 h TRP 31 Cb -0.02 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 27.98 3bd0 h TRP 31 CO -0.07 0.65 -0.53 -0.07 -1.05 0.00 0.00 178.44 177.36 3bd0 h LEU 32 N 0.91 0.29 -1.57 -4.49 3.38 -0.76 -2.97 115.31 110.10 3bd0 h LEU 32 Ca 0.23 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3bd0 h LEU 32 Cb 0.04 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3bd0 h LEU 32 CO -0.04 0.77 -0.12 0.77 0.09 0.00 0.00 178.44 179.91 3bd0 h SER 33 N 0.20 0.00 0.66 -0.43 4.64 -0.90 -2.63 113.55 115.09 3bd0 h SER 33 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bd0 h SER 33 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3bd0 h SER 33 CO 0.08 0.12 -0.21 0.00 -0.87 0.00 0.00 176.83 175.95 3bd0 n GLN 34 N -3.36 0.17 -4.29 4.77 6.02 -1.12 -4.81 117.38 114.77 3bd0 n GLN 34 Ca -0.01 -0.06 -0.35 0.00 -0.01 0.00 0.00 57.00 56.57 3bd0 n GLN 34 Cb 0.32 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.99 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 -2.87 4.46 -0.14 5.09 1.01 -0.99 -5.10 120.40 121.86 3bd0 s VAL 35 Ca 0.17 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 3bd0 s VAL 35 Cb 0.19 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3bd0 s VAL 35 CO 0.58 0.59 0.07 -1.58 0.00 0.00 0.00 175.10 174.75 3bd0 s GLN 36 N -0.70 3.55 0.05 2.72 0.74 -1.26 -5.01 119.66 119.76 3bd0 s GLN 36 Ca 0.11 -0.29 -0.31 0.00 0.05 0.00 0.00 55.36 54.92 3bd0 s GLN 36 Cb -0.12 -3.10 -0.08 0.00 1.10 0.00 0.00 33.01 30.82 3bd0 s GLN 36 CO 0.02 0.54 1.65 -1.12 -0.55 0.00 0.00 175.29 175.84 3bd0 s SER 37 N -0.39 6.62 0.00 6.67 0.01 -1.26 -4.84 113.70 120.50 3bd0 s SER 37 Ca 0.10 2.45 0.00 0.00 1.31 0.00 0.00 55.95 59.81 3bd0 s SER 37 Cb -0.12 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.55 3bd0 s SER 37 CO 0.02 -0.89 0.00 0.35 0.41 0.00 0.00 173.24 173.13 3bd0 n THR 38 N 4.82 0.00 -1.25 1.44 -2.24 -1.26 -4.92 114.28 110.87 3bd0 n THR 38 Ca 0.16 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.02 3bd0 n THR 38 Cb 0.41 -0.12 0.12 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.97 1.07 -1.98 -0.78 4.76 -1.26 -5.04 118.16 113.95 3bd0 n LYS 39 Ca 0.00 -2.35 -0.39 0.00 -2.87 0.00 0.00 58.31 52.70 3bd0 n LYS 39 Cb 0.12 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 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 -2.40 3.86 -0.47 1.97 0.52 -1.25 -2.91 118.95 118.26 3bd0 s ARG 40 Ca 0.27 2.22 -0.19 0.00 -0.52 0.00 0.00 55.73 57.51 3bd0 s ARG 40 Cb 0.24 -2.70 0.04 0.00 0.52 0.00 0.00 34.95 33.05 3bd0 s ARG 40 CO 0.02 -0.60 0.56 -1.25 0.02 0.00 0.00 175.30 174.05 3bd0 s PRO 41 N -2.33 3.13 0.06 3.54 0.04 -1.26 -5.09 135.00 133.09 3bd0 s PRO 41 Ca 0.59 -0.79 -0.37 0.00 0.04 0.00 0.00 61.00 60.46 3bd0 s PRO 41 Cb -0.39 -4.04 -0.17 0.00 0.04 0.00 0.00 34.50 29.93 3bd0 s PRO 41 CO 0.50 -1.07 1.29 0.00 0.04 0.00 0.00 177.00 177.76 3bd0 n ALA 42 N 5.97 -1.53 -0.03 8.56 0.00 -0.06 -4.74 120.51 128.68 3bd0 n ALA 42 Ca -0.06 0.53 -0.10 0.00 0.00 0.00 0.00 53.44 53.81 3bd0 n ALA 42 Cb 0.46 -2.01 -0.14 0.00 0.00 0.00 0.00 19.45 17.76 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 2.35 0.65 -4.00 0.00 3.00 -0.07 -4.77 116.66 113.81 3bd0 n ARG 43 Ca 0.19 0.24 -0.08 0.00 -0.00 0.00 0.00 57.85 58.20 3bd0 n ARG 43 Cb 0.17 -1.74 -0.10 0.00 0.00 0.00 0.00 32.46 30.79 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 -2.57 0.20 0.06 5.13 0.00 -1.21 -1.28 121.76 122.08 3bd0 s ALA 44 Ca -0.08 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.07 3bd0 s ALA 44 Cb 0.08 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 3bd0 s ALA 44 CO 0.82 -0.32 -0.09 0.96 0.00 0.00 0.00 175.76 177.12 3bd0 s ILE 45 N -3.01 0.71 -0.13 0.00 -4.36 0.81 0.01 121.20 115.22 3bd0 s ILE 45 Ca -0.01 -1.26 -0.01 0.00 -0.26 0.00 0.00 60.65 59.11 3bd0 s ILE 45 Cb 0.01 -0.88 -0.02 0.00 1.25 0.00 0.00 42.46 42.83 3bd0 s ILE 45 CO -0.07 -0.41 -0.11 -0.63 0.24 0.00 0.00 174.94 173.96 3bd0 s ILE 46 N -1.68 3.29 -0.06 8.37 1.01 0.18 -0.62 121.20 131.69 3bd0 s ILE 46 Ca -0.05 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 3bd0 s ILE 46 Cb -0.08 -2.39 0.03 0.00 0.01 0.00 0.00 42.46 40.03 3bd0 s ILE 46 CO 0.00 0.52 0.35 0.00 0.00 0.00 0.00 174.94 175.82 3bd0 s ALA 47 N 0.22 -0.88 0.86 9.38 0.00 -0.83 -1.54 121.76 128.97 3bd0 s ALA 47 Ca -0.07 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.43 3bd0 s ALA 47 Cb -0.15 -0.18 0.11 0.00 0.00 0.00 0.00 23.12 22.90 3bd0 s ALA 47 CO 0.05 -0.23 1.14 -1.25 0.00 0.00 0.00 175.76 175.47 3bd0 s PRO 48 N -0.75 1.41 -0.05 0.00 0.04 -1.24 -1.69 135.00 132.73 3bd0 s PRO 48 Ca -0.08 1.50 0.07 0.00 0.04 0.00 0.00 61.00 62.53 3bd0 s PRO 48 Cb -0.04 -1.78 0.11 0.00 0.04 0.00 0.00 34.50 32.83 3bd0 s PRO 48 CO 0.03 -2.33 0.98 -2.39 0.04 0.00 0.00 177.00 173.33 3bd0 n HIS 49 N -3.89 0.00 -1.02 0.56 1.44 -1.26 -4.76 115.22 106.29 3bd0 n HIS 49 Ca 0.12 -0.45 -0.29 0.00 -2.01 0.00 0.00 57.72 55.09 3bd0 n HIS 49 Cb 0.52 -0.08 0.19 0.00 0.12 0.00 0.00 29.99 30.74 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 -1.22 0.63 0.48 1.59 0.00 -1.26 -4.89 121.76 117.09 3bd0 s ALA 50 Ca 0.12 -0.29 -0.24 0.00 0.00 0.00 0.00 51.96 51.54 3bd0 s ALA 50 Cb 0.10 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 20.00 3bd0 s ALA 50 CO 0.01 -3.07 1.41 0.20 0.00 0.00 0.00 175.76 174.31 3bd0 s GLY 51 N -3.23 2.91 0.57 0.00 0.00 -1.26 -4.67 107.32 101.64 3bd0 s GLY 51 Ca 0.66 1.43 0.26 0.00 0.00 0.00 0.00 44.72 47.07 3bd0 s GLY 51 CO 0.59 2.01 2.15 -0.97 0.00 0.00 0.00 173.10 176.88 3bd0 h TYR 52 N 2.10 0.00 0.00 1.90 0.99 -1.80 -0.51 116.97 119.65 3bd0 h TYR 52 Ca -0.51 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.22 3bd0 h TYR 52 Cb 1.27 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 -0.01 0.00 -0.00 0.00 0.00 178.16 178.64 3bd0 h THR 53 N 0.00 0.49 0.00 -2.88 1.03 -1.90 -1.14 112.91 108.51 3bd0 h THR 53 Ca 0.06 -0.06 -0.31 0.00 -0.01 0.00 0.00 66.41 66.08 3bd0 h THR 53 Cb 0.29 1.04 -0.06 0.00 -1.07 0.00 0.00 68.15 68.35 3bd0 h THR 53 CO -0.00 0.01 -2.19 -1.22 -0.01 0.00 0.00 175.52 172.11 3bd0 n TYR 54 N -3.77 0.00 0.47 0.00 4.02 -0.26 -4.78 117.16 112.84 3bd0 n TYR 54 Ca -0.03 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.91 3bd0 n TYR 54 Cb 0.10 -0.81 -0.00 0.00 -0.02 0.00 0.00 39.34 38.61 3bd0 n TYR 54 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3bd0 h GLY 56 N 2.26 1.51 2.00 0.00 0.00 -1.41 -1.32 103.07 106.12 3bd0 h GLY 56 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 3bd0 h GLY 56 CO 0.00 0.30 -0.18 1.48 0.00 0.00 0.00 176.54 178.14 3bd0 h SER 57 N 1.12 0.00 0.19 0.19 4.64 -1.86 -2.84 113.55 115.00 3bd0 h SER 57 Ca 0.43 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.75 3bd0 h SER 57 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3bd0 h SER 57 CO -0.19 0.18 -0.09 0.00 -0.87 0.00 0.00 176.83 175.87 3bd0 h ALA 59 N -0.52 2.27 -0.67 0.00 0.00 -1.31 0.70 119.26 119.73 3bd0 h ALA 59 Ca -0.03 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.03 3bd0 h ALA 59 Cb 0.48 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3bd0 h ALA 59 CO 0.04 -0.41 0.46 0.00 0.00 0.00 0.00 179.25 179.34 3bd0 h ALA 60 N 1.73 2.30 -0.32 0.00 0.00 -1.61 0.57 119.26 121.94 3bd0 h ALA 60 Ca 0.26 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3bd0 h ALA 60 Cb 0.77 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3bd0 h ALA 60 CO -0.04 -0.49 -0.05 0.45 0.00 0.00 0.00 179.25 179.12 3bd0 h HIS 61 N 0.23 0.54 0.03 0.00 3.86 -0.99 -1.26 115.15 117.56 3bd0 h HIS 61 Ca 0.32 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3bd0 h HIS 61 Cb 0.95 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.27 3bd0 h HIS 61 CO -0.00 0.56 -0.01 0.00 0.86 0.00 0.00 177.93 179.34 3bd0 h ALA 62 N 1.47 -0.04 0.00 2.45 0.00 -1.05 -3.37 119.26 118.72 3bd0 h ALA 62 Ca 0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3bd0 h ALA 62 Cb 0.39 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3bd0 h ALA 62 CO 0.02 -0.09 -0.07 1.88 0.00 0.00 0.00 179.25 180.98 3bd0 h TYR 63 N -0.90 0.00 0.00 0.00 0.05 -1.14 -1.67 116.97 113.32 3bd0 h TYR 63 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 3bd0 h TYR 63 Cb 0.71 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.45 3bd0 h TYR 63 CO 0.18 0.07 -0.01 -0.22 -1.05 0.00 0.00 178.16 177.14 3bd0 h LYS 64 N 0.00 0.00 -0.01 4.88 1.63 -1.38 -2.46 116.57 119.23 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 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 3bd0 h LYS 64 CO 0.01 0.01 -0.11 1.04 -3.45 0.00 0.00 179.45 176.94 3bd0 n GLN 65 N -3.12 1.04 -2.60 1.90 1.13 -0.63 -4.78 117.38 110.32 3bd0 n GLN 65 Ca -0.01 -0.50 -0.42 0.00 -1.94 0.00 0.00 57.00 54.13 3bd0 n GLN 65 Cb 0.19 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.02 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 -2.31 4.56 -0.51 5.09 1.01 -0.93 -0.88 120.40 126.44 3bd0 s VAL 66 Ca 0.32 1.84 -0.15 0.00 0.00 0.00 0.00 61.98 63.99 3bd0 s VAL 66 Cb 0.20 -4.18 0.12 0.00 0.00 0.00 0.00 36.38 32.52 3bd0 s VAL 66 CO 0.44 0.12 0.45 -0.62 0.00 0.00 0.00 175.10 175.50 3bd0 s ASP 67 N 1.06 6.10 0.49 3.32 3.68 -1.26 -4.94 116.67 125.12 3bd0 s ASP 67 Ca 0.54 -1.71 0.29 0.00 2.13 0.00 0.00 52.55 53.80 3bd0 s ASP 67 Cb -0.24 -2.17 1.38 0.00 -1.45 0.00 0.00 42.92 40.44 3bd0 s ASP 67 CO 0.27 -0.79 1.81 -0.65 0.13 0.00 0.00 175.17 175.95 3bd0 h PRO 68 N 8.79 0.14 0.00 4.34 0.11 -1.90 -0.20 132.00 143.27 3bd0 h PRO 68 Ca -0.28 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.76 3bd0 h PRO 68 Cb 1.10 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3bd0 h PRO 68 CO 0.98 0.09 -0.26 0.77 -0.21 0.00 0.00 178.00 179.37 3bd0 h SER 69 N 0.14 0.00 0.00 -2.05 0.02 -1.95 -3.36 113.55 106.36 3bd0 h SER 69 Ca 0.55 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 61.23 3bd0 h SER 69 Cb 1.88 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.38 3bd0 h SER 69 CO -0.11 0.26 -1.99 -0.38 -1.14 0.00 0.00 176.83 173.47 3bd0 n ILE 70 N -3.62 0.99 -2.45 3.27 5.41 -0.12 -4.99 119.36 117.84 3bd0 n ILE 70 Ca -0.01 -0.37 -0.42 0.00 1.00 0.00 0.00 62.75 62.95 3bd0 n ILE 70 Cb 0.39 -1.16 -0.03 0.00 -0.71 0.00 0.00 39.64 38.13 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 -2.34 4.16 0.00 1.39 2.01 -0.97 -4.39 115.64 115.50 3bd0 s THR 71 Ca -0.23 1.54 0.00 0.00 0.31 0.00 0.00 61.69 63.30 3bd0 s THR 71 Cb 0.06 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.59 3bd0 s THR 71 CO 0.39 0.09 0.00 0.54 -0.69 0.00 0.00 174.62 174.96 3bd0 n ARG 72 N 4.20 2.55 -3.97 4.92 5.12 0.64 -4.88 116.66 125.24 3bd0 n ARG 72 Ca 0.09 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.78 3bd0 n ARG 72 Cb 0.47 -0.92 -0.17 0.00 -1.16 0.00 0.00 32.46 30.68 3bd0 n ARG 72 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3bd0 s ARG 73 N -1.78 0.97 -0.28 5.56 0.52 -0.66 -0.66 118.95 122.63 3bd0 s ARG 73 Ca 0.00 -0.08 -0.03 0.00 -0.52 0.00 0.00 55.73 55.11 3bd0 s ARG 73 Cb 0.00 -1.12 0.03 0.00 0.52 0.00 0.00 34.95 34.38 3bd0 s ARG 73 CO 0.00 -0.21 -0.01 0.42 0.02 0.00 0.00 175.30 175.52 3bd0 s ILE 74 N 1.53 3.13 -0.01 1.52 1.01 -0.47 -1.02 121.20 126.89 3bd0 s ILE 74 Ca -0.01 -1.12 -0.25 0.00 0.00 0.00 0.00 60.65 59.27 3bd0 s ILE 74 Cb -0.13 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 3bd0 s ILE 74 CO -0.04 0.04 0.76 -0.36 0.00 0.00 0.00 174.94 175.34 3bd0 s PHE 75 N 1.33 3.65 -0.22 3.97 0.40 0.13 -0.10 117.98 127.13 3bd0 s PHE 75 Ca -0.02 1.40 0.02 0.00 -0.60 0.00 0.00 56.93 57.73 3bd0 s PHE 75 Cb -0.18 -2.85 0.04 0.00 0.51 0.00 0.00 43.02 40.54 3bd0 s PHE 75 CO -0.02 0.15 -0.14 0.42 0.70 0.00 0.00 175.22 176.33 3bd0 s ILE 76 N 0.48 2.08 -0.37 0.64 1.01 -0.54 0.56 121.20 125.06 3bd0 s ILE 76 Ca 0.40 -1.32 -0.10 0.00 0.00 0.00 0.00 60.65 59.63 3bd0 s ILE 76 Cb -0.19 -2.07 0.04 0.00 0.01 0.00 0.00 42.46 40.24 3bd0 s ILE 76 CO 0.21 0.20 0.19 -0.76 0.00 0.00 0.00 174.94 174.79 3bd0 s LEU 77 N 1.20 4.68 0.09 2.97 1.43 0.37 -0.84 118.68 128.58 3bd0 s LEU 77 Ca -0.03 -1.08 0.09 0.00 -1.03 0.00 0.00 54.13 52.08 3bd0 s LEU 77 Cb -0.17 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3bd0 s LEU 77 CO -0.08 -0.39 -0.23 -0.83 0.23 0.00 0.00 176.35 175.05 3bd0 s GLY 78 N 1.57 1.57 0.66 -3.19 0.00 -0.85 -1.00 107.32 106.07 3bd0 s GLY 78 Ca 0.01 -1.34 -0.13 0.00 0.00 0.00 0.00 44.72 43.26 3bd0 s GLY 78 CO 0.05 -1.29 1.07 2.56 0.00 0.00 0.00 173.10 175.50 3bd0 s PRO 79 N -1.78 3.00 -0.09 2.90 0.04 -1.26 0.03 135.00 137.84 3bd0 s PRO 79 Ca 0.15 1.12 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 3bd0 s PRO 79 Cb -0.10 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 3bd0 s PRO 79 CO 0.06 -1.06 0.46 -1.54 0.04 0.00 0.00 177.00 174.96 3bd0 s SER 80 N -3.22 6.71 -0.18 6.66 1.04 -0.69 -4.61 113.70 119.41 3bd0 s SER 80 Ca 0.61 0.84 0.17 0.00 0.48 0.00 0.00 55.95 58.05 3bd0 s SER 80 Cb -0.16 -2.28 -0.25 0.00 0.10 0.00 0.00 66.02 63.44 3bd0 s SER 80 CO 0.46 0.07 0.16 1.41 0.98 0.00 0.00 173.24 176.33 3bd0 n HIS 81 N 3.27 0.15 -0.12 5.02 8.25 -1.26 -4.81 115.22 125.71 3bd0 n HIS 81 Ca -0.09 0.05 -0.26 0.00 -0.26 0.00 0.00 57.72 57.17 3bd0 n HIS 81 Cb 0.52 -1.03 -0.11 0.00 1.12 0.00 0.00 29.99 30.49 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 -2.80 0.30 -3.97 4.41 8.25 -1.26 -5.00 115.22 115.16 3bd0 n HIS 82 Ca -0.31 0.11 -0.30 0.00 -0.26 0.00 0.00 57.72 56.97 3bd0 n HIS 82 Cb 1.14 -1.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 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 -2.48 5.11 0.06 1.59 -7.23 -1.26 -5.07 120.40 111.12 3bd0 s VAL 83 Ca -0.35 -0.57 -0.31 0.00 -1.81 0.00 0.00 61.98 58.94 3bd0 s VAL 83 Cb 0.12 -3.51 -0.07 0.00 0.56 0.00 0.00 36.38 33.47 3bd0 s VAL 83 CO 0.55 0.09 1.37 -2.16 -0.31 0.00 0.00 175.10 174.64 3bd0 s PRO 84 N -2.62 4.32 -0.15 4.82 0.04 -1.26 -4.94 135.00 135.21 3bd0 s PRO 84 Ca 0.33 1.99 -0.04 0.00 0.04 0.00 0.00 61.00 63.33 3bd0 s PRO 84 Cb -0.12 -3.40 0.07 0.00 0.04 0.00 0.00 34.50 31.09 3bd0 s PRO 84 CO 0.26 -0.47 0.23 -1.17 0.04 0.00 0.00 177.00 175.89 3bd0 s LEU 85 N 1.64 -0.21 0.00 -3.56 2.96 -1.26 -5.01 118.68 113.24 3bd0 s LEU 85 Ca 0.64 0.26 0.26 0.00 -0.22 0.00 0.00 54.13 55.07 3bd0 s LEU 85 Cb -0.34 0.53 0.72 0.00 0.50 0.00 0.00 46.19 47.60 3bd0 s LEU 85 CO 0.29 -0.27 1.55 -1.54 -1.32 0.00 0.00 176.35 175.05 3bd0 n SER 86 N 5.34 1.52 0.00 3.68 3.41 -1.26 0.23 113.62 126.53 3bd0 n SER 86 Ca -0.05 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 3bd0 n SER 86 Cb 0.50 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 3bd0 n SER 86 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3bd0 n ARG 87 N -0.07 2.09 -4.66 4.33 1.74 -1.26 -4.46 116.66 114.37 3bd0 n ARG 87 Ca 0.15 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.92 3bd0 n ARG 87 Cb 0.39 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.70 3bd0 n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bd0 s ALA 89 N -0.93 2.41 0.23 0.00 0.00 -0.24 -0.77 121.76 122.46 3bd0 s ALA 89 Ca 0.14 -1.44 0.08 0.00 0.00 0.00 0.00 51.96 50.74 3bd0 s ALA 89 Cb -0.10 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3bd0 s ALA 89 CO 0.05 0.55 0.03 -0.51 0.00 0.00 0.00 175.76 175.88 3bd0 s LEU 90 N -2.01 3.34 0.62 0.00 1.43 -0.42 -1.09 118.68 120.56 3bd0 s LEU 90 Ca 0.14 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 3bd0 s LEU 90 Cb -0.10 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3bd0 s LEU 90 CO 0.06 0.03 1.07 -0.55 0.23 0.00 0.00 176.35 177.19 3bd0 s SER 91 N -3.43 5.57 0.00 2.29 0.15 -1.26 -0.61 113.70 116.41 3bd0 s SER 91 Ca 0.30 1.82 0.15 0.00 0.70 0.00 0.00 55.95 58.92 3bd0 s SER 91 Cb -0.08 -2.53 0.36 0.00 -1.71 0.00 0.00 66.02 62.06 3bd0 s SER 91 CO 0.20 -1.31 1.28 -1.54 1.20 0.00 0.00 173.24 173.07 3bd0 n SER 92 N -2.30 3.07 -4.85 5.45 3.41 -1.25 -4.83 113.62 112.33 3bd0 n SER 92 Ca 0.09 -1.93 -0.26 0.00 -0.26 0.00 0.00 58.87 56.51 3bd0 n SER 92 Cb 0.53 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.05 1.87 -0.09 -3.33 -7.23 -1.26 -4.99 120.40 104.31 3bd0 s VAL 93 Ca 0.29 -1.56 0.16 0.00 -1.81 0.00 0.00 61.98 59.06 3bd0 s VAL 93 Cb 0.16 -2.43 -0.23 0.00 0.56 0.00 0.00 36.38 34.43 3bd0 s VAL 93 CO 0.21 0.00 0.21 0.47 -0.31 0.00 0.00 175.10 175.68 3bd0 n ASP 94 N -1.58 1.01 -3.96 4.85 9.92 -0.43 -4.89 116.55 121.46 3bd0 n ASP 94 Ca -0.02 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.05 3bd0 n ASP 94 Cb 0.64 1.33 -0.15 0.00 -0.64 0.00 0.00 41.12 42.30 3bd0 n ASP 94 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3bd0 s ILE 95 N -2.79 0.58 -0.27 0.53 1.01 -0.69 -1.30 121.20 118.27 3bd0 s ILE 95 Ca -0.07 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 3bd0 s ILE 95 Cb 0.08 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 3bd0 s ILE 95 CO 0.69 0.19 0.13 -0.31 0.00 0.00 0.00 174.94 175.64 3bd0 s TYR 96 N 0.17 3.15 0.55 3.97 1.51 0.22 -0.28 117.35 126.64 3bd0 s TYR 96 Ca -0.02 -0.29 -0.16 0.00 -1.01 0.00 0.00 57.07 55.59 3bd0 s TYR 96 Cb -0.07 -2.31 -0.06 0.00 -0.11 0.00 0.00 41.96 39.41 3bd0 s TYR 96 CO -0.00 -0.32 1.01 1.03 -1.11 0.00 0.00 175.55 176.16 3bd0 s ARG 97 N 1.66 3.73 -0.14 -0.62 0.52 -0.32 -0.51 118.95 123.27 3bd0 s ARG 97 Ca 0.06 1.00 -0.19 0.00 -0.52 0.00 0.00 55.73 56.08 3bd0 s ARG 97 Cb -0.16 -2.10 0.05 0.00 0.52 0.00 0.00 34.95 33.26 3bd0 s ARG 97 CO 0.07 -0.46 0.50 0.99 0.02 0.00 0.00 175.30 176.41 3bd0 s THR 98 N -2.64 0.01 0.58 0.02 2.01 -1.26 -4.22 115.64 110.14 3bd0 s THR 98 Ca 0.60 -0.09 0.28 0.00 0.31 0.00 0.00 61.69 62.79 3bd0 s THR 98 Cb -0.12 -0.73 0.34 0.00 0.01 0.00 0.00 72.50 72.00 3bd0 s THR 98 CO 0.35 -0.05 2.24 -0.65 -0.69 0.00 0.00 174.62 175.83 3bd0 h PRO 99 N 4.73 0.00 0.02 4.92 0.11 -1.92 -3.23 132.00 136.62 3bd0 h PRO 99 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 3bd0 h PRO 99 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3bd0 h PRO 99 CO 0.25 0.00 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.96 3bd0 h LEU 100 N 0.00 -0.03 -7.19 2.35 3.38 -1.93 -3.38 115.31 108.52 3bd0 h LEU 100 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3bd0 h LEU 100 Cb 0.00 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.65 3bd0 h LEU 100 CO 0.00 0.08 0.25 -0.72 0.09 0.00 0.00 178.44 178.14 3bd0 s TYR 101 N -1.39 -0.45 0.36 1.13 -0.85 -1.22 -5.06 117.35 109.87 3bd0 s TYR 101 Ca -0.00 0.20 -0.14 0.00 -0.52 0.00 0.00 57.07 56.61 3bd0 s TYR 101 Cb 0.00 0.59 -0.08 0.00 0.38 0.00 0.00 41.96 42.84 3bd0 s TYR 101 CO 0.01 -0.88 0.76 -0.51 -1.52 0.00 0.00 175.55 173.41 3bd0 s ASP 102 N -2.76 6.69 -0.06 -0.18 1.01 -1.26 -4.01 116.67 116.10 3bd0 s ASP 102 Ca 0.03 1.25 0.04 0.00 0.71 0.00 0.00 52.55 54.58 3bd0 s ASP 102 Cb -0.02 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.53 3bd0 s ASP 102 CO -0.09 -0.28 -0.17 -0.76 0.21 0.00 0.00 175.17 174.08 3bd0 s LEU 103 N -3.30 2.58 -0.10 1.23 1.02 0.33 -4.97 118.68 115.46 3bd0 s LEU 103 Ca 0.54 -0.28 -0.10 0.00 0.02 0.00 0.00 54.13 54.30 3bd0 s LEU 103 Cb -0.10 -1.51 -0.05 0.00 0.02 0.00 0.00 46.19 44.55 3bd0 s LEU 103 CO 0.22 0.31 0.23 -0.13 0.02 0.00 0.00 176.35 177.01 3bd0 s ARG 104 N -0.54 3.76 0.02 1.70 0.52 -1.26 -0.61 118.95 122.54 3bd0 s ARG 104 Ca 0.07 0.04 -0.30 0.00 -0.52 0.00 0.00 55.73 55.02 3bd0 s ARG 104 Cb -0.11 -3.26 -0.03 0.00 0.52 0.00 0.00 34.95 32.07 3bd0 s ARG 104 CO 0.01 0.63 0.99 0.42 0.02 0.00 0.00 175.30 177.37 3bd0 s ILE 105 N -0.68 4.79 -0.49 1.52 1.01 -0.42 -0.18 121.20 126.75 3bd0 s ILE 105 Ca 0.17 2.03 -0.26 0.00 0.00 0.00 0.00 60.65 62.59 3bd0 s ILE 105 Cb -0.13 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 3bd0 s ILE 105 CO 0.06 0.18 2.20 -0.62 0.00 0.00 0.00 174.94 176.75 3bd0 s ASP 106 N 0.90 4.85 0.22 3.58 -1.08 -0.70 -4.83 116.67 119.61 3bd0 s ASP 106 Ca 0.52 0.96 -0.08 0.00 -0.52 0.00 0.00 52.55 53.43 3bd0 s ASP 106 Cb -0.22 -2.51 0.31 0.00 -1.46 0.00 0.00 42.92 39.04 3bd0 s ASP 106 CO 0.28 -2.58 1.78 1.56 0.52 0.00 0.00 175.17 176.73 3bd0 h GLN 107 N 17.45 0.57 0.89 4.34 1.08 -1.93 -2.10 115.11 135.41 3bd0 h GLN 107 Ca -0.27 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 56.85 3bd0 h GLN 107 Cb 1.23 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 28.54 3bd0 h GLN 107 CO 1.15 0.38 -0.43 -0.22 -0.95 0.00 0.00 178.83 178.76 3bd0 h LYS 108 N 0.59 -1.15 -0.72 1.46 3.64 -1.99 0.24 116.57 118.63 3bd0 h LYS 108 Ca 0.33 0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.76 3bd0 h LYS 108 Cb 0.33 0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 3bd0 h LYS 108 CO -0.25 -0.77 0.32 0.82 -2.27 0.00 0.00 179.45 177.30 3bd0 h ILE 109 N -1.20 1.23 -0.66 2.00 2.04 -1.98 -0.14 117.51 118.82 3bd0 h ILE 109 Ca -0.12 -0.69 0.12 0.00 1.00 0.00 0.00 64.86 65.17 3bd0 h ILE 109 Cb 0.92 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3bd0 h ILE 109 CO 0.20 0.29 0.44 1.88 0.00 0.00 0.00 178.15 180.96 3bd0 h TYR 110 N 1.03 0.44 0.02 1.37 -1.99 -1.18 0.26 116.97 116.91 3bd0 h TYR 110 Ca 0.25 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.99 3bd0 h TYR 110 Cb 0.14 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 38.73 3bd0 h TYR 110 CO 0.01 0.19 -0.01 0.78 -0.00 0.00 0.00 178.16 179.14 3bd0 h GLY 111 N 0.40 -0.02 0.46 3.88 0.00 0.74 -2.52 103.07 106.00 3bd0 h GLY 111 Ca 0.31 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.72 3bd0 h GLY 111 CO -0.09 -0.01 0.11 0.83 0.00 0.00 0.00 176.54 177.38 3bd0 h GLU 112 N -0.70 0.24 -0.42 4.80 5.08 -0.57 -1.82 114.58 121.20 3bd0 h GLU 112 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3bd0 h GLU 112 Cb 0.66 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3bd0 h GLU 112 CO 0.00 0.16 0.26 -0.07 -1.00 0.00 0.00 179.01 178.36 3bd0 h LEU 113 N 0.25 0.50 -1.23 1.33 3.38 -0.60 -2.82 115.31 116.12 3bd0 h LEU 113 Ca 0.22 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3bd0 h LEU 113 Cb 0.27 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3bd0 h LEU 113 CO -0.28 0.40 -0.10 -0.25 0.09 0.00 0.00 178.44 178.31 3bd0 h TRP 114 N 0.56 0.43 0.00 1.13 2.91 -1.05 -1.99 115.95 117.94 3bd0 h TRP 114 Ca 0.15 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.12 3bd0 h TRP 114 Cb -0.01 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 28.52 3bd0 h TRP 114 CO -0.04 0.51 0.00 1.63 -1.03 0.00 0.00 178.44 179.51 3bd0 n LYS 115 N -4.24 0.20 0.23 2.65 5.02 -0.72 -1.92 118.16 119.38 3bd0 n LYS 115 Ca 0.00 0.42 0.06 0.00 -2.02 0.00 0.00 58.31 56.77 3bd0 n LYS 115 Cb 0.28 -1.88 0.54 0.00 -0.02 0.00 0.00 35.03 33.96 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 1.05 -0.87 -0.18 1.35 -1.28 -3.46 112.91 109.53 3bd0 h THR 116 Ca 0.00 -0.57 -0.21 0.00 -0.55 0.00 0.00 66.41 65.08 3bd0 h THR 116 Cb 0.39 1.31 -0.06 0.00 -1.73 0.00 0.00 68.15 68.07 3bd0 h THR 116 CO 0.00 0.16 -0.22 0.61 -0.25 0.00 0.00 175.52 175.82 3bd0 n GLY 117 N -1.01 0.71 0.83 5.82 0.00 -0.81 -4.92 105.19 105.82 3bd0 n GLY 117 Ca -0.02 -0.52 0.09 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 -2.44 1.97 -4.34 1.61 2.81 -1.26 -4.99 117.12 110.49 3bd0 n MET 118 Ca -0.11 -1.87 -0.26 0.00 -1.81 0.00 0.00 57.70 53.65 3bd0 n MET 118 Cb 0.44 -1.38 -0.13 0.00 -0.71 0.00 0.00 33.22 31.44 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 -1.31 2.04 0.42 2.03 0.40 -1.26 -4.24 117.98 116.05 3bd0 s PHE 119 Ca 0.27 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.24 3bd0 s PHE 119 Cb 0.17 -1.11 0.00 0.00 0.51 0.00 0.00 43.02 42.59 3bd0 s PHE 119 CO 0.23 0.27 0.59 -1.21 0.70 0.00 0.00 175.22 175.81 3bd0 s GLU 120 N -1.98 2.95 -0.24 0.44 2.02 0.05 -4.97 118.70 116.97 3bd0 s GLU 120 Ca 0.10 -0.89 -0.12 0.00 0.02 0.00 0.00 54.97 54.08 3bd0 s GLU 120 Cb -0.10 -2.69 -0.05 0.00 0.10 0.00 0.00 34.13 31.40 3bd0 s GLU 120 CO 0.05 -0.22 0.23 1.03 0.02 0.00 0.00 175.26 176.38 3bd0 s ARG 121 N -4.40 4.06 0.04 1.61 0.52 -1.26 -1.30 118.95 118.22 3bd0 s ARG 121 Ca 0.50 -0.16 -0.31 0.00 -0.52 0.00 0.00 55.73 55.24 3bd0 s ARG 121 Cb -0.10 -3.58 -0.07 0.00 0.52 0.00 0.00 34.95 31.72 3bd0 s ARG 121 CO 0.34 -0.05 1.52 1.41 0.02 0.00 0.00 175.30 178.54 3bd0 s MET 122 N 1.37 4.25 0.83 3.54 1.75 0.22 -4.90 119.30 126.36 3bd0 s MET 122 Ca 0.10 2.15 -0.11 0.00 -1.25 0.00 0.00 55.69 56.58 3bd0 s MET 122 Cb -0.14 -3.54 0.09 0.00 2.84 0.00 0.00 34.83 34.07 3bd0 s MET 122 CO 0.07 -0.64 1.09 -1.54 -0.65 0.00 0.00 175.02 173.36 3bd0 s SER 123 N 2.03 4.00 0.16 1.11 1.04 -1.26 -3.79 113.70 116.98 3bd0 s SER 123 Ca 0.68 1.65 -0.16 0.00 0.48 0.00 0.00 55.95 58.61 3bd0 s SER 123 Cb -0.36 -2.34 0.04 0.00 0.10 0.00 0.00 66.02 63.47 3bd0 s SER 123 CO 0.29 -2.33 1.80 0.25 0.98 0.00 0.00 173.24 174.24 3bd0 h LEU 124 N -1.33 0.41 -0.10 2.42 5.85 -1.97 -1.38 115.31 119.21 3bd0 h LEU 124 Ca -0.46 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.29 3bd0 h LEU 124 Cb 1.26 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 3bd0 h LEU 124 CO 0.53 0.30 -0.14 -0.61 -0.34 0.00 0.00 178.44 178.17 3bd0 h GLN 125 N 0.51 -0.19 -0.26 1.25 -0.00 -1.99 0.27 115.11 114.71 3bd0 h GLN 125 Ca 0.16 0.01 0.05 0.00 -0.00 0.00 0.00 58.65 58.88 3bd0 h GLN 125 Cb -0.00 0.04 -0.05 0.00 0.00 0.00 0.00 27.48 27.47 3bd0 h GLN 125 CO -0.07 -0.12 -0.09 1.15 0.00 0.00 0.00 178.83 179.70 3bd0 h THR 126 N -0.19 0.69 -0.13 2.39 2.02 -1.87 0.11 112.91 115.94 3bd0 h THR 126 Ca 0.08 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.30 3bd0 h THR 126 Cb 0.31 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.37 3bd0 h THR 126 CO -0.21 0.00 -0.15 -0.78 0.37 0.00 0.00 175.52 174.74 3bd0 h ASP 127 N -0.03 -0.47 0.59 4.18 1.82 -0.83 -2.07 116.42 119.60 3bd0 h ASP 127 Ca 0.13 0.09 -0.11 0.00 -0.39 0.00 0.00 57.03 56.74 3bd0 h ASP 127 Cb 0.23 0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.45 3bd0 h ASP 127 CO -0.29 -0.20 -0.55 -0.33 -1.61 0.00 0.00 179.24 176.27 3bd0 h GLU 128 N -0.19 0.00 -0.63 0.28 5.08 -0.71 -3.10 114.58 115.31 3bd0 h GLU 128 Ca 0.09 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3bd0 h GLU 128 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3bd0 h GLU 128 CO -0.24 0.55 0.09 0.22 -1.00 0.00 0.00 179.01 178.62 3bd0 h ASP 129 N 0.00 1.00 -3.81 1.42 -0.00 -0.43 -3.43 116.42 111.16 3bd0 h ASP 129 Ca -0.01 -0.24 -0.49 0.00 -0.00 0.00 0.00 57.03 56.29 3bd0 h ASP 129 Cb 0.99 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 40.05 3bd0 h ASP 129 CO 0.07 1.01 0.41 -0.70 -0.00 0.00 0.00 179.24 180.03 3bd0 s GLU 130 N -5.16 4.65 -0.00 0.28 2.56 -0.83 -4.99 118.70 115.22 3bd0 s GLU 130 Ca -0.11 1.61 0.06 0.00 0.00 0.00 0.00 54.97 56.52 3bd0 s GLU 130 Cb 0.14 -3.10 -0.07 0.00 2.00 0.00 0.00 34.13 33.10 3bd0 s GLU 130 CO 0.84 0.28 0.20 -2.39 -0.56 0.00 0.00 175.26 173.64 3bd0 n HIS 131 N 1.08 0.00 0.31 5.30 1.44 -1.26 -4.54 115.22 117.55 3bd0 n HIS 131 Ca -0.00 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.86 3bd0 n HIS 131 Cb 0.47 -0.05 0.56 0.00 0.12 0.00 0.00 29.99 31.08 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 0.07 4.39 4.64 -1.90 -2.21 113.55 118.53 3bd0 h SER 132 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 3bd0 h SER 132 Cb 0.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 3bd0 h SER 132 CO 0.00 0.00 -1.73 -0.38 -0.87 0.00 0.00 176.83 173.85 3bd0 n ILE 133 N -2.91 1.66 -0.27 0.95 5.41 -1.26 -4.46 119.36 118.49 3bd0 n ILE 133 Ca 0.02 -0.38 0.12 0.00 1.00 0.00 0.00 62.75 63.50 3bd0 n ILE 133 Cb 0.33 -1.86 0.38 0.00 -0.71 0.00 0.00 39.64 37.78 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 -0.42 0.67 0.00 0.38 4.81 -1.72 -1.59 114.58 116.72 3bd0 h GLU 134 Ca -0.41 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3bd0 h GLU 134 Cb 1.71 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.94 3bd0 h GLU 134 CO -0.06 0.44 0.00 0.52 -0.73 0.00 0.00 179.01 179.18 3bd0 h MET 135 N 0.69 0.00 -0.03 1.92 2.86 -1.63 -1.31 114.93 117.43 3bd0 h MET 135 Ca 0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 3bd0 h MET 135 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 3bd0 h MET 135 CO -0.21 0.00 -0.08 0.72 1.06 0.00 0.00 176.91 178.40 3bd0 n HIS 136 N -2.37 0.00 -0.00 -0.22 8.25 -0.60 -4.50 115.22 115.78 3bd0 n HIS 136 Ca -0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 3bd0 n HIS 136 Cb 0.13 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.17 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 4.07 -0.09 -1.32 2.41 3.38 -1.33 -1.87 115.31 120.57 3bd0 h LEU 137 Ca 0.00 -0.46 0.09 0.00 0.09 0.00 0.00 57.88 57.60 3bd0 h LEU 137 Cb 0.91 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 3bd0 h LEU 137 CO 0.00 0.58 0.53 -0.65 0.09 0.00 0.00 178.44 178.99 3bd0 h PRO 138 N -0.93 0.75 -0.25 1.13 0.11 -1.79 0.85 132.00 131.87 3bd0 h PRO 138 Ca -0.01 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 3bd0 h PRO 138 Cb 0.55 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3bd0 h PRO 138 CO 0.02 0.49 -0.08 1.88 -0.21 0.00 0.00 178.00 180.10 3bd0 h TYR 139 N 0.77 0.57 -0.38 0.65 0.99 -1.79 -0.69 116.97 117.09 3bd0 h TYR 139 Ca 0.37 -0.13 -0.12 0.00 2.00 0.00 0.00 58.73 60.85 3bd0 h TYR 139 Cb 0.41 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 38.00 3bd0 h TYR 139 CO -0.00 0.73 -0.26 1.79 -0.00 0.00 0.00 178.16 180.41 3bd0 h THR 140 N 0.24 1.27 -0.44 -2.88 1.35 -1.00 -0.87 112.91 110.59 3bd0 h THR 140 Ca 0.06 -1.40 -0.02 0.00 -0.55 0.00 0.00 66.41 64.51 3bd0 h THR 140 Cb 0.56 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 3bd0 h THR 140 CO 0.03 0.47 0.20 0.00 -0.25 0.00 0.00 175.52 175.96 3bd0 h ALA 141 N 1.02 0.56 0.39 6.62 0.00 -0.77 -2.10 119.26 124.98 3bd0 h ALA 141 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3bd0 h ALA 141 Cb 0.79 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3bd0 h ALA 141 CO 0.07 0.14 -0.23 -0.22 0.00 0.00 0.00 179.25 179.01 3bd0 h LYS 142 N 0.56 -0.56 -0.18 0.00 1.63 -1.01 -2.02 116.57 114.99 3bd0 h LYS 142 Ca 0.15 0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.04 3bd0 h LYS 142 Cb 0.14 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 3bd0 h LYS 142 CO -0.02 -0.38 0.20 0.00 -3.45 0.00 0.00 179.45 175.81 3bd0 h ALA 143 N 0.00 1.80 -0.02 5.00 0.00 -1.04 -2.35 119.26 122.64 3bd0 h ALA 143 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3bd0 h ALA 143 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3bd0 h ALA 143 CO 0.05 -0.30 -0.06 -0.12 0.00 0.00 0.00 179.25 178.82 3bd0 n MET 144 N -3.79 1.66 -0.25 0.00 1.56 -0.80 -4.55 117.12 110.95 3bd0 n MET 144 Ca 0.02 -1.53 0.06 0.00 -0.27 0.00 0.00 57.70 55.98 3bd0 n MET 144 Cb 0.33 -1.37 0.19 0.00 2.15 0.00 0.00 33.22 34.52 3bd0 n MET 144 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 3bd0 h GLU 145 N 3.51 0.28 -0.92 2.12 4.11 -0.80 0.24 114.58 123.11 3bd0 h GLU 145 Ca 0.00 -0.02 0.25 0.00 0.07 0.00 0.00 59.36 59.67 3bd0 h GLU 145 Cb 0.78 -0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.83 3bd0 h GLU 145 CO 0.00 0.18 0.39 0.77 0.07 0.00 0.00 179.01 180.42 3bd0 h SER 146 N 0.29 0.27 -0.72 3.06 0.02 -1.84 -0.67 113.55 113.96 3bd0 h SER 146 Ca 0.42 0.18 -0.46 0.00 -0.84 0.00 0.00 61.79 61.10 3bd0 h SER 146 Cb 0.72 0.18 -0.26 0.00 0.14 0.00 0.00 62.40 63.18 3bd0 h SER 146 CO -0.51 -0.09 0.13 1.41 -1.14 0.00 0.00 176.83 176.63 3bd0 n HIS 147 N -5.11 2.37 -0.27 3.45 8.25 0.78 -4.84 115.22 119.86 3bd0 n HIS 147 Ca 0.25 -2.19 0.25 0.00 -0.26 0.00 0.00 57.72 55.76 3bd0 n HIS 147 Cb 0.76 -0.80 0.43 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.98 -0.03 0.02 -0.41 4.81 -0.26 -0.31 118.16 121.01 3bd0 n LYS 148 Ca 0.48 0.89 0.12 0.00 -0.87 0.00 0.00 58.31 58.93 3bd0 n LYS 148 Cb 1.01 -1.68 0.16 0.00 0.02 0.00 0.00 35.03 34.54 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 -4.28 0.60 -0.59 3.14 8.00 -1.26 -4.53 116.55 117.63 3bd0 n ASP 149 Ca 0.27 -0.16 0.08 0.00 0.71 0.00 0.00 54.79 55.68 3bd0 n ASP 149 Cb 0.98 0.37 0.20 0.00 -0.02 0.00 0.00 41.12 42.64 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 -1.78 2.52 -4.12 -1.24 1.02 0.58 -4.98 120.64 112.65 3bd0 n GLU 150 Ca 0.04 -2.56 -0.15 0.00 -0.02 0.00 0.00 57.16 54.47 3bd0 n GLU 150 Cb 0.39 -1.61 -0.13 0.00 -0.02 0.00 0.00 31.44 30.06 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 -2.43 0.59 0.42 -0.32 -0.12 -1.25 -4.76 117.98 110.10 3bd0 s PHE 151 Ca 0.34 -0.30 0.07 0.00 -0.05 0.00 0.00 56.93 56.99 3bd0 s PHE 151 Cb 0.27 -0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 3bd0 s PHE 151 CO 0.08 -0.04 0.24 0.95 -0.05 0.00 0.00 175.22 176.39 3bd0 s THR 152 N -0.77 2.37 0.11 -4.49 -4.23 0.16 -4.66 115.64 104.13 3bd0 s THR 152 Ca -0.04 -1.60 0.08 0.00 -1.18 0.00 0.00 61.69 58.95 3bd0 s THR 152 Cb -0.06 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 3bd0 s THR 152 CO 0.00 0.00 -0.20 0.27 -0.54 0.00 0.00 174.62 174.15 3bd0 s ILE 153 N -2.57 1.70 -0.45 2.99 -4.36 0.74 -1.37 121.20 117.89 3bd0 s ILE 153 Ca 0.43 -1.59 0.03 0.00 -0.26 0.00 0.00 60.65 59.25 3bd0 s ILE 153 Cb 0.02 -1.58 0.13 0.00 1.25 0.00 0.00 42.46 42.27 3bd0 s ILE 153 CO 0.24 -0.11 0.21 -0.63 0.24 0.00 0.00 174.94 174.90 3bd0 s ILE 154 N -1.30 1.91 0.03 8.37 -1.09 0.86 -1.73 121.20 128.25 3bd0 s ILE 154 Ca 0.07 -2.73 -0.30 0.00 -2.23 0.00 0.00 60.65 55.46 3bd0 s ILE 154 Cb -0.09 -2.35 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 3bd0 s ILE 154 CO 0.04 -0.81 1.11 -2.84 -1.23 0.00 0.00 174.94 171.21 3bd0 s PRO 155 N 0.27 4.48 -0.08 2.79 0.02 -1.26 -1.47 135.00 139.76 3bd0 s PRO 155 Ca 0.16 1.62 -0.01 0.00 0.02 0.00 0.00 61.00 62.79 3bd0 s PRO 155 Cb -0.24 -3.40 0.03 0.00 0.02 0.00 0.00 34.50 30.90 3bd0 s PRO 155 CO -0.03 -0.18 -0.03 0.08 -0.33 0.00 0.00 177.00 176.52 3bd0 s VAL 156 N 1.08 0.57 -0.29 3.83 1.01 -0.02 -4.39 120.40 122.19 3bd0 s VAL 156 Ca 0.56 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.32 3bd0 s VAL 156 Cb -0.26 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 3bd0 s VAL 156 CO 0.28 0.28 0.59 -0.22 0.00 0.00 0.00 175.10 176.03 3bd0 s LEU 157 N 1.70 4.12 -0.17 3.92 2.96 -0.25 -2.01 118.68 128.96 3bd0 s LEU 157 Ca 0.02 0.45 -0.13 0.00 -0.22 0.00 0.00 54.13 54.25 3bd0 s LEU 157 Cb -0.13 -2.76 -0.05 0.00 0.50 0.00 0.00 46.19 43.76 3bd0 s LEU 157 CO -0.05 -0.41 0.28 -0.69 -1.32 0.00 0.00 176.35 174.16 3bd0 s VAL 158 N 2.50 5.31 0.00 1.68 1.01 0.10 -1.08 120.40 129.93 3bd0 s VAL 158 Ca 0.24 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.73 3bd0 s VAL 158 Cb -0.15 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3bd0 s VAL 158 CO 0.11 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3bd0 n GLY 159 N 3.46 1.51 2.95 4.51 0.00 -0.01 -1.70 105.19 115.92 3bd0 n GLY 159 Ca -0.12 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 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 5.04 -1.85 4.61 0.00 0.14 -4.85 120.51 120.60 3bd0 n ALA 160 Ca 0.00 -3.94 -0.41 0.00 0.00 0.00 0.00 53.44 49.09 3bd0 n ALA 160 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 19.45 15.95 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 2.33 4.44 0.70 0.00 1.43 -1.26 -4.69 118.68 121.64 3bd0 s LEU 161 Ca 0.47 2.53 -0.11 0.00 -1.03 0.00 0.00 54.13 56.00 3bd0 s LEU 161 Cb 0.11 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.71 3bd0 s LEU 161 CO -0.04 -0.49 1.06 -0.94 0.23 0.00 0.00 176.35 176.18 3bd0 s SER 162 N -0.20 5.35 0.38 2.29 1.04 -1.26 -4.83 113.70 116.46 3bd0 s SER 162 Ca 0.52 1.51 0.19 0.00 0.48 0.00 0.00 55.95 58.65 3bd0 s SER 162 Cb -0.38 -2.39 1.18 0.00 0.10 0.00 0.00 66.02 64.53 3bd0 s SER 162 CO 0.46 -1.45 1.67 -0.33 0.98 0.00 0.00 173.24 174.57 3bd0 h GLU 163 N -0.72 0.27 -0.06 4.02 5.08 -1.99 -0.05 114.58 121.12 3bd0 h GLU 163 Ca -0.44 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 57.72 3bd0 h GLU 163 Cb 1.22 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3bd0 h GLU 163 CO 0.58 0.18 -0.73 0.77 -1.00 0.00 0.00 179.01 178.80 3bd0 h SER 164 N 0.27 0.41 0.77 1.42 0.02 -1.99 -2.30 113.55 112.15 3bd0 h SER 164 Ca 0.73 -0.27 -0.14 0.00 -0.84 0.00 0.00 61.79 61.27 3bd0 h SER 164 Cb 1.87 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 64.27 3bd0 h SER 164 CO -0.51 1.00 -0.68 0.11 -1.14 0.00 0.00 176.83 175.62 3bd0 h LYS 165 N 0.23 0.00 -0.55 3.45 1.79 -1.42 0.36 116.57 120.42 3bd0 h LYS 165 Ca -0.03 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 3bd0 h LYS 165 Cb 1.31 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.93 3bd0 h LYS 165 CO 0.12 0.68 0.24 0.93 -1.08 0.00 0.00 179.45 180.35 3bd0 h GLU 166 N 0.00 0.81 -0.20 3.15 5.08 -1.08 -0.29 114.58 122.04 3bd0 h GLU 166 Ca -0.01 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3bd0 h GLU 166 Cb 1.25 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3bd0 h GLU 166 CO 0.09 0.68 -0.01 1.96 -1.00 0.00 0.00 179.01 180.73 3bd0 h GLN 167 N 0.75 0.37 0.13 2.33 4.20 -0.97 -0.70 115.11 121.22 3bd0 h GLN 167 Ca 0.19 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3bd0 h GLN 167 Cb 0.16 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3bd0 h GLN 167 CO -0.02 0.58 -0.06 0.93 -0.67 0.00 0.00 178.83 179.59 3bd0 h GLU 168 N 0.12 -0.16 -0.58 1.46 5.08 -0.24 -1.33 114.58 118.93 3bd0 h GLU 168 Ca 0.06 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3bd0 h GLU 168 Cb 0.42 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3bd0 h GLU 168 CO 0.01 -0.05 0.08 0.74 -1.00 0.00 0.00 179.01 178.80 3bd0 h PHE 169 N -0.24 0.99 -0.12 4.33 0.04 -1.11 -2.08 116.94 118.75 3bd0 h PHE 169 Ca -0.02 -0.12 0.03 0.00 2.80 0.00 0.00 57.97 60.66 3bd0 h PHE 169 Cb 0.19 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 3bd0 h PHE 169 CO -0.05 0.85 -0.08 0.78 -0.60 0.00 0.00 178.31 179.21 3bd0 h GLY 170 N 1.01 0.03 0.63 -1.45 0.00 -1.01 -0.27 103.07 102.02 3bd0 h GLY 170 Ca 0.18 0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.66 3bd0 h GLY 170 CO 0.01 -0.09 0.12 1.70 0.00 0.00 0.00 176.54 178.28 3bd0 h LYS 171 N -0.08 0.26 -0.08 4.80 3.64 -1.06 -1.59 116.57 122.45 3bd0 h LYS 171 Ca 0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3bd0 h LYS 171 Cb 0.19 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3bd0 h LYS 171 CO -0.17 0.17 0.05 1.25 -2.27 0.00 0.00 179.45 178.48 3bd0 h LEU 172 N 0.27 0.10 -0.49 5.20 5.85 -1.04 -2.67 115.31 122.52 3bd0 h LEU 172 Ca 0.18 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3bd0 h LEU 172 Cb 0.17 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3bd0 h LEU 172 CO -0.20 0.10 0.00 0.49 -0.34 0.00 0.00 178.44 178.49 3bd0 n PHE 173 N -5.02 0.86 -0.19 1.25 3.72 -0.14 -3.40 117.46 114.54 3bd0 n PHE 173 Ca -0.06 0.31 -0.06 0.00 -0.05 0.00 0.00 57.45 57.59 3bd0 n PHE 173 Cb 0.04 -1.00 0.09 0.00 -0.94 0.00 0.00 39.48 37.67 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 0.95 -0.17 4.37 4.64 -0.92 -0.96 113.55 121.46 3bd0 h SER 174 Ca 0.00 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.10 3bd0 h SER 174 Cb 0.48 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3bd0 h SER 174 CO 0.00 0.96 0.11 0.07 -0.87 0.00 0.00 176.83 177.11 3bd0 h LYS 175 N 0.93 0.19 0.03 4.77 2.10 -1.69 -1.14 116.57 121.76 3bd0 h LYS 175 Ca 0.18 -0.01 -0.22 0.00 -2.00 0.00 0.00 60.65 58.61 3bd0 h LYS 175 Cb 0.43 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.70 3bd0 h LYS 175 CO 0.01 0.13 -1.01 1.88 -2.00 0.00 0.00 179.45 178.46 3bd0 h TYR 176 N 0.20 0.15 0.00 0.07 -1.99 -1.60 -3.24 116.97 110.56 3bd0 h TYR 176 Ca 0.06 -0.10 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 3bd0 h TYR 176 Cb 0.02 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.74 3bd0 h TYR 176 CO -0.00 1.03 -0.15 1.25 -0.00 0.00 0.00 178.16 180.29 3bd0 h LEU 177 N 0.03 0.00 -0.52 3.88 5.85 -0.00 -2.53 115.31 122.02 3bd0 h LEU 177 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3bd0 h LEU 177 Cb 1.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.76 3bd0 h LEU 177 CO 0.14 0.15 0.00 0.00 -0.34 0.00 0.00 178.44 178.40 3bd0 h ALA 178 N 1.85 1.00 -2.47 1.25 0.00 -1.36 -3.44 119.26 116.08 3bd0 h ALA 178 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3bd0 h ALA 178 Cb 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3bd0 h ALA 178 CO 0.02 0.00 0.30 0.34 0.00 0.00 0.00 179.25 179.91 3bd0 s ASP 179 N -4.93 7.00 0.21 0.00 -1.08 -0.95 -4.95 116.67 111.96 3bd0 s ASP 179 Ca 0.06 1.22 0.21 0.00 -0.52 0.00 0.00 52.55 53.52 3bd0 s ASP 179 Cb 0.09 -2.45 0.90 0.00 -1.46 0.00 0.00 42.92 40.00 3bd0 s ASP 179 CO 0.53 -0.30 1.63 -0.81 0.52 0.00 0.00 175.17 176.74 3bd0 n PRO 180 N 4.69 0.14 0.00 4.34 -0.04 -1.26 -1.71 135.00 141.17 3bd0 n PRO 180 Ca 0.03 0.42 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 3bd0 n PRO 180 Cb 0.50 -1.80 0.72 0.00 -0.04 0.00 0.00 33.50 32.88 3bd0 n PRO 180 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3bd0 n SER 181 N -2.07 0.00 -4.78 3.54 7.64 -1.26 -4.53 113.62 112.15 3bd0 n SER 181 Ca 0.02 -0.37 -0.22 0.00 1.01 0.00 0.00 58.87 59.31 3bd0 n SER 181 Cb 0.19 -0.18 -0.05 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.37 5.31 -0.15 6.43 -0.87 -0.69 -0.26 114.94 122.34 3bd0 s ASN 182 Ca 0.31 -0.33 -0.06 0.00 -1.57 0.00 0.00 52.86 51.20 3bd0 s ASN 182 Cb 0.18 -1.28 0.07 0.00 -0.02 0.00 0.00 41.25 40.19 3bd0 s ASN 182 CO 0.37 -0.03 0.33 -0.22 -2.57 0.00 0.00 177.10 174.98 3bd0 s LEU 183 N -3.78 -0.19 -0.31 0.60 2.96 -0.19 -4.74 118.68 113.02 3bd0 s LEU 183 Ca 0.32 0.73 -0.14 0.00 -0.22 0.00 0.00 54.13 54.83 3bd0 s LEU 183 Cb -0.08 0.99 -0.03 0.00 0.50 0.00 0.00 46.19 47.58 3bd0 s LEU 183 CO 0.24 -0.21 0.31 -0.36 -1.32 0.00 0.00 176.35 175.01 3bd0 s PHE 184 N 2.02 3.22 -0.41 5.38 0.08 -0.41 0.20 117.98 128.07 3bd0 s PHE 184 Ca -0.04 0.08 -0.21 0.00 0.12 0.00 0.00 56.93 56.88 3bd0 s PHE 184 Cb -0.11 -2.56 0.02 0.00 -0.57 0.00 0.00 43.02 39.79 3bd0 s PHE 184 CO -0.10 -0.32 0.67 0.08 -0.10 0.00 0.00 175.22 175.45 3bd0 s VAL 185 N 1.94 4.81 -0.27 -0.44 1.01 0.19 -0.14 120.40 127.51 3bd0 s VAL 185 Ca 0.11 0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.34 3bd0 s VAL 185 Cb -0.16 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3bd0 s VAL 185 CO 0.11 -0.51 0.26 -0.69 0.00 0.00 0.00 175.10 174.28 3bd0 s VAL 186 N 2.87 5.26 -0.25 2.92 1.01 0.21 -0.48 120.40 131.95 3bd0 s VAL 186 Ca 0.25 0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.45 3bd0 s VAL 186 Cb -0.14 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 3bd0 s VAL 186 CO 0.18 0.22 0.24 -0.55 0.00 0.00 0.00 175.10 175.19 3bd0 s SER 187 N 1.65 6.16 -0.28 3.32 0.15 -0.17 -1.96 113.70 122.56 3bd0 s SER 187 Ca 0.10 0.17 -0.23 0.00 0.70 0.00 0.00 55.95 56.69 3bd0 s SER 187 Cb -0.16 -2.15 0.12 0.00 -1.71 0.00 0.00 66.02 62.13 3bd0 s SER 187 CO 0.10 -0.03 0.99 -0.55 1.20 0.00 0.00 173.24 174.96 3bd0 s SER 188 N 1.35 -0.49 0.63 5.45 0.15 -0.68 -4.22 113.70 115.88 3bd0 s SER 188 Ca 0.10 0.91 -0.06 0.00 0.70 0.00 0.00 55.95 57.60 3bd0 s SER 188 Cb -0.15 0.99 0.03 0.00 -1.71 0.00 0.00 66.02 65.18 3bd0 s SER 188 CO 0.08 -0.15 0.94 -1.81 1.20 0.00 0.00 173.24 173.49 3bd0 s ASP 189 N 0.51 5.28 0.00 5.45 1.01 -1.26 -3.58 116.67 124.08 3bd0 s ASP 189 Ca 0.00 0.58 0.00 0.00 0.71 0.00 0.00 52.55 53.84 3bd0 s ASP 189 Cb -0.05 -1.43 0.00 0.00 1.01 0.00 0.00 42.92 42.45 3bd0 s ASP 189 CO -0.08 -1.27 0.00 0.49 0.21 0.00 0.00 175.17 174.52 3bd0 n PHE 190 N -2.70 0.00 -1.72 4.23 3.01 0.50 -3.24 117.46 117.54 3bd0 n PHE 190 Ca 0.06 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.10 3bd0 n PHE 190 Cb 0.59 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.03 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 2.33 3.34 -0.12 0.00 3.76 -1.20 -0.57 115.29 122.82 3bd0 s HIS 192 Ca 0.79 -1.43 -0.04 0.00 -0.15 0.00 0.00 55.06 54.23 3bd0 s HIS 192 Cb -0.47 -3.79 -0.04 0.00 1.11 0.00 0.00 32.58 29.40 3bd0 s HIS 192 CO 0.35 -1.01 0.04 -0.46 -0.85 0.00 0.00 174.74 172.81 3bd0 s TRP 193 N 1.36 3.25 0.00 1.40 -0.00 -0.06 -4.67 118.94 120.22 3bd0 s TRP 193 Ca 0.05 0.18 0.00 0.00 -0.00 0.00 0.00 56.10 56.33 3bd0 s TRP 193 Cb -0.27 -1.91 0.00 0.00 -0.00 0.00 0.00 33.47 31.29 3bd0 s TRP 193 CO 0.01 0.39 0.00 0.41 -0.00 0.00 0.00 176.95 177.76 3bd0 n GLY 194 N 2.61 3.61 0.20 5.86 0.00 -0.04 -1.96 105.19 115.47 3bd0 n GLY 194 Ca -0.18 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.08 3bd0 n GLY 194 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3bd0 h GLN 195 N 0.00 0.31 0.00 1.61 4.20 -1.81 -1.06 115.11 118.36 3bd0 h GLN 195 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3bd0 h GLN 195 Cb 0.00 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3bd0 h GLN 195 CO 0.00 0.21 0.31 0.07 -0.67 0.00 0.00 178.83 178.74 3bd0 h ARG 196 N 0.32 0.00 -0.01 1.46 0.11 -1.94 0.61 114.38 114.93 3bd0 h ARG 196 Ca 0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.32 3bd0 h ARG 196 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 3bd0 h ARG 196 CO -0.26 0.00 -0.15 1.19 0.10 0.00 0.00 179.97 180.85 3bd0 n PHE 197 N -2.76 0.00 -2.96 4.08 3.01 -0.46 -4.98 117.46 113.38 3bd0 n PHE 197 Ca -0.02 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.22 3bd0 n PHE 197 Cb 0.35 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.84 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 0.33 -4.15 -3.62 -1.08 1.74 0.21 -4.97 116.66 105.13 3bd0 n ARG 198 Ca 0.07 0.85 -0.28 0.00 -0.77 0.00 0.00 57.85 57.73 3bd0 n ARG 198 Cb 0.34 -5.66 -0.16 0.00 -1.02 0.00 0.00 32.46 25.96 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 -3.10 0.49 -0.20 -1.55 5.04 -0.92 -5.01 117.35 112.10 3bd0 s TYR 199 Ca 0.26 -0.71 0.16 0.00 -2.44 0.00 0.00 57.07 54.35 3bd0 s TYR 199 Cb -0.12 -0.90 0.46 0.00 0.35 0.00 0.00 41.96 41.75 3bd0 s TYR 199 CO 0.32 -0.66 1.17 0.43 -1.34 0.00 0.00 175.55 175.47 3bd0 n SER 200 N 5.20 2.39 -4.70 4.32 7.64 -1.26 -0.86 113.62 126.34 3bd0 n SER 200 Ca -0.07 -2.94 -0.44 0.00 1.01 0.00 0.00 58.87 56.44 3bd0 n SER 200 Cb 0.46 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 3bd0 n SER 200 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bd0 n TYR 201 N -0.50 2.51 -3.52 1.43 9.36 -1.26 -4.97 117.16 120.21 3bd0 n TYR 201 Ca 0.20 0.23 -0.23 0.00 3.32 0.00 0.00 57.90 61.41 3bd0 n TYR 201 Cb 0.90 -2.58 -0.14 0.00 -0.63 0.00 0.00 39.34 36.89 3bd0 n TYR 201 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 3bd0 s TYR 202 N 0.61 -0.02 -0.55 2.98 5.04 -1.26 -4.92 117.35 119.24 3bd0 s TYR 202 Ca 0.73 -0.33 -0.25 0.00 -2.44 0.00 0.00 57.07 54.78 3bd0 s TYR 202 Cb -0.59 -0.63 0.04 0.00 0.35 0.00 0.00 41.96 41.14 3bd0 s TYR 202 CO 0.41 -0.72 0.99 0.34 -1.34 0.00 0.00 175.55 175.23 3bd0 s ASP 203 N 2.22 6.37 0.00 4.32 -1.08 -1.26 -4.92 116.67 122.31 3bd0 s ASP 203 Ca 0.07 -0.24 0.28 0.00 -0.52 0.00 0.00 52.55 52.14 3bd0 s ASP 203 Cb -0.16 -2.46 1.05 0.00 -1.46 0.00 0.00 42.92 39.89 3bd0 s ASP 203 CO -0.23 -1.27 1.79 -1.84 0.52 0.00 0.00 175.17 174.13 3bd0 n GLU 204 N 7.65 0.04 0.00 4.34 0.28 -1.26 -2.22 120.64 129.48 3bd0 n GLU 204 Ca 0.03 -0.01 0.04 0.00 -0.16 0.00 0.00 57.16 57.07 3bd0 n GLU 204 Cb 0.48 -1.50 0.19 0.00 1.43 0.00 0.00 31.44 32.04 3bd0 n GLU 204 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3bd0 n SER 205 N -1.47 0.00 -0.12 -1.84 3.41 -1.26 -2.90 113.62 109.43 3bd0 n SER 205 Ca 0.07 0.50 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 3bd0 n SER 205 Cb 0.33 -0.50 0.10 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.50 0.34 0.00 4.33 1.13 -0.94 -5.05 117.38 115.69 3bd0 n GLN 206 Ca 0.02 -0.25 0.00 0.00 -1.94 0.00 0.00 57.00 54.83 3bd0 n GLN 206 Cb 0.11 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.96 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 1.46 0.18 3.84 1.08 0.00 -1.14 -4.39 105.19 106.22 3bd0 n GLY 207 Ca 0.07 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 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 3.53 0.20 1.61 2.56 -1.26 -4.81 118.70 120.53 3bd0 s GLU 208 Ca 0.00 0.95 -0.13 0.00 0.00 0.00 0.00 54.97 55.79 3bd0 s GLU 208 Cb 0.00 -2.07 0.23 0.00 2.00 0.00 0.00 34.13 34.29 3bd0 s GLU 208 CO 0.00 -0.62 1.64 0.82 -0.56 0.00 0.00 175.26 176.54 3bd0 h ILE 209 N 0.17 0.42 0.00 -3.70 2.04 -1.83 0.21 117.51 114.82 3bd0 h ILE 209 Ca -0.45 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 3bd0 h ILE 209 Cb 1.20 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3bd0 h ILE 209 CO 0.60 0.00 -0.03 0.10 0.00 0.00 0.00 178.15 178.82 3bd0 h TYR 210 N 0.02 0.00 -0.03 1.37 -0.00 -1.71 0.67 116.97 117.29 3bd0 h TYR 210 Ca 0.29 0.00 -0.19 0.00 0.00 0.00 0.00 58.73 58.83 3bd0 h TYR 210 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.18 3bd0 h TYR 210 CO -0.46 0.03 -0.81 0.00 -0.00 0.00 0.00 178.16 176.92 3bd0 h ARG 211 N 0.00 0.30 -0.38 0.10 2.47 -1.30 -2.10 114.38 113.47 3bd0 h ARG 211 Ca -0.00 -0.28 -0.04 0.00 -1.26 0.00 0.00 59.98 58.41 3bd0 h ARG 211 Cb 0.06 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 3bd0 h ARG 211 CO 0.00 0.96 0.10 1.03 0.56 0.00 0.00 179.97 182.61 3bd0 h SER 212 N 0.19 0.57 -0.57 7.04 0.87 -0.03 -0.75 113.55 120.86 3bd0 h SER 212 Ca -0.04 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 3bd0 h SER 212 Cb 1.40 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 63.18 3bd0 h SER 212 CO 0.13 0.65 0.30 0.40 -0.53 0.00 0.00 176.83 177.78 3bd0 h ILE 213 N 0.46 1.20 0.24 2.23 2.04 -0.89 0.80 117.51 123.59 3bd0 h ILE 213 Ca 0.12 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3bd0 h ILE 213 Cb 0.30 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3bd0 h ILE 213 CO 0.00 0.21 -0.21 -0.08 0.00 0.00 0.00 178.15 178.08 3bd0 h GLU 214 N 0.78 -0.45 -0.47 2.37 4.81 -1.12 0.86 114.58 121.36 3bd0 h GLU 214 Ca 0.20 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.55 3bd0 h GLU 214 Cb 0.07 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.48 3bd0 h GLU 214 CO -0.03 -0.30 0.05 1.25 -0.73 0.00 0.00 179.01 179.25 3bd0 h HIS 215 N -0.46 0.07 -0.47 0.92 2.76 -0.82 0.27 115.15 117.42 3bd0 h HIS 215 Ca -0.01 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.25 3bd0 h HIS 215 Cb 0.42 0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.37 3bd0 h HIS 215 CO -0.14 -0.05 0.18 1.25 -1.30 0.00 0.00 177.93 177.88 3bd0 h LEU 216 N 0.18 0.21 0.48 0.26 6.46 -0.46 -0.52 115.31 121.92 3bd0 h LEU 216 Ca 0.24 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 58.02 3bd0 h LEU 216 Cb 0.33 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 3bd0 h LEU 216 CO -0.35 0.16 -0.23 0.44 -0.62 0.00 0.00 178.44 177.84 3bd0 h ASP 217 N 0.37 -0.55 -0.13 1.25 3.32 0.07 -3.01 116.42 117.75 3bd0 h ASP 217 Ca 0.22 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.23 3bd0 h ASP 217 Cb 0.20 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3bd0 h ASP 217 CO -0.21 -0.19 0.13 0.11 -1.72 0.00 0.00 179.24 177.36 3bd0 h LYS 218 N -0.94 0.00 0.01 3.56 1.79 -0.44 0.17 116.57 120.73 3bd0 h LYS 218 Ca -0.07 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.20 3bd0 h LYS 218 Cb 0.59 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 3bd0 h LYS 218 CO 0.11 0.00 -0.97 0.00 -1.08 0.00 0.00 179.45 177.51 3bd0 h MET 219 N 0.00 0.04 -0.15 3.15 -0.00 -1.04 -1.25 114.93 115.68 3bd0 h MET 219 Ca 0.06 -0.06 -0.16 0.00 -0.00 0.00 0.00 59.70 59.53 3bd0 h MET 219 Cb 0.33 0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 31.94 3bd0 h MET 219 CO -0.00 0.97 -0.59 0.78 -0.00 0.00 0.00 176.91 178.07 3bd0 h GLY 220 N 2.62 0.54 1.53 -3.00 0.00 -0.89 -2.81 103.07 101.06 3bd0 h GLY 220 Ca -0.02 -0.65 -0.10 0.00 0.00 0.00 0.00 47.33 46.55 3bd0 h GLY 220 CO 0.13 0.58 -0.25 -0.33 0.00 0.00 0.00 176.54 176.68 3bd0 h MET 221 N 0.37 0.55 -0.60 4.80 2.07 -0.72 -2.53 114.93 118.87 3bd0 h MET 221 Ca -0.00 -0.21 -0.10 0.00 -2.07 0.00 0.00 59.70 57.32 3bd0 h MET 221 Cb 1.13 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.81 3bd0 h MET 221 CO 0.11 0.75 -0.01 1.03 1.07 0.00 0.00 176.91 179.86 3bd0 h SER 222 N 0.48 1.03 -0.33 1.22 0.87 -1.14 -2.09 113.55 113.59 3bd0 h SER 222 Ca 0.07 -0.30 -0.06 0.00 -1.23 0.00 0.00 61.79 60.27 3bd0 h SER 222 Cb 0.68 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3bd0 h SER 222 CO 0.05 1.09 -0.05 0.40 -0.53 0.00 0.00 176.83 177.79 3bd0 h ILE 223 N 0.96 1.27 -0.74 2.23 2.04 -1.27 -2.56 117.51 119.44 3bd0 h ILE 223 Ca 0.17 -1.06 0.11 0.00 1.00 0.00 0.00 64.86 65.07 3bd0 h ILE 223 Cb 0.57 1.30 -0.08 0.00 -0.74 0.00 0.00 36.82 37.86 3bd0 h ILE 223 CO 0.03 0.35 0.36 0.40 0.00 0.00 0.00 178.15 179.28 3bd0 h ILE 224 N 0.40 0.80 0.00 -0.67 2.04 -1.36 0.11 117.51 118.84 3bd0 h ILE 224 Ca 0.09 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3bd0 h ILE 224 Cb 0.52 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3bd0 h ILE 224 CO 0.03 0.11 0.00 -0.33 0.00 0.00 0.00 178.15 177.95 3bd0 h GLU 225 N 0.58 0.00 -0.48 2.37 5.08 -0.99 0.28 114.58 121.42 3bd0 h GLU 225 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3bd0 h GLU 225 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3bd0 h GLU 225 CO -0.30 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.75 3bd0 n GLN 226 N -2.77 2.30 -4.00 2.33 6.02 0.02 -4.47 117.38 116.81 3bd0 n GLN 226 Ca -0.02 -2.00 -0.28 0.00 -0.01 0.00 0.00 57.00 54.70 3bd0 n GLN 226 Cb 0.08 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 3bd0 n GLN 226 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3bd0 n LEU 227 N 1.15 -2.16 -3.96 1.08 4.77 0.98 -4.95 117.00 113.92 3bd0 n LEU 227 Ca 0.19 -0.99 -0.31 0.00 -0.03 0.00 0.00 56.01 54.87 3bd0 n LEU 227 Cb 0.50 -2.22 -0.15 0.00 -2.33 0.00 0.00 43.42 39.21 3bd0 n LEU 227 CO 0.14 0.41 -0.31 -0.62 -1.33 0.00 0.00 177.39 175.68 3bd0 s ASP 228 N -4.12 4.56 0.13 -1.43 -1.08 -1.24 -4.66 116.67 108.83 3bd0 s ASP 228 Ca 0.17 -2.22 -0.15 0.00 -0.52 0.00 0.00 52.55 49.83 3bd0 s ASP 228 Cb -0.09 -1.50 -0.01 0.00 -1.46 0.00 0.00 42.92 39.86 3bd0 s ASP 228 CO 0.89 -0.36 1.65 1.55 0.52 0.00 0.00 175.17 179.42 3bd0 h PRO 229 N 7.50 0.64 -0.10 4.34 0.13 -1.92 -2.22 132.00 140.37 3bd0 h PRO 229 Ca -0.06 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3bd0 h PRO 229 Cb 1.00 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 3bd0 h PRO 229 CO 0.53 0.64 0.05 0.28 -0.23 0.00 0.00 178.00 179.28 3bd0 h VAL 230 N 0.52 1.00 -0.54 1.56 2.07 -1.97 0.14 116.25 119.03 3bd0 h VAL 230 Ca 0.13 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 3bd0 h VAL 230 Cb 0.27 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3bd0 h VAL 230 CO -0.00 0.02 0.17 -1.28 0.02 0.00 0.00 177.57 176.50 3bd0 h SER 231 N 0.12 0.74 -0.08 0.57 0.87 -1.97 -0.80 113.55 113.01 3bd0 h SER 231 Ca 0.04 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 3bd0 h SER 231 Cb 0.00 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 3bd0 h SER 231 CO -0.02 0.70 -0.02 0.15 -0.53 0.00 0.00 176.83 177.11 3bd0 h PHE 232 N 0.79 0.17 -0.99 2.24 3.57 -1.00 -0.96 116.94 120.76 3bd0 h PHE 232 Ca 0.18 -0.04 0.14 0.00 3.53 0.00 0.00 57.97 61.78 3bd0 h PHE 232 Cb 0.22 -0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.83 3bd0 h PHE 232 CO 0.01 0.48 0.61 1.03 -2.23 0.00 0.00 178.31 178.21 3bd0 h SER 233 N -0.19 0.86 0.52 0.41 0.87 -0.41 0.01 113.55 115.63 3bd0 h SER 233 Ca 0.02 0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.50 3bd0 h SER 233 Cb 0.42 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 3bd0 h SER 233 CO 0.01 0.42 -0.64 0.78 -0.53 0.00 0.00 176.83 176.86 3bd0 h ASN 234 N 0.91 0.13 -0.86 6.23 -0.26 -0.94 -1.70 115.58 119.09 3bd0 h ASN 234 Ca 0.51 -0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 56.16 3bd0 h ASN 234 Cb 0.59 -0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.78 3bd0 h ASN 234 CO -0.30 0.74 0.48 0.22 -1.06 0.00 0.00 177.43 177.51 3bd0 h TYR 235 N 0.08 1.18 -0.50 1.19 3.20 -0.01 -1.88 116.97 120.22 3bd0 h TYR 235 Ca -0.01 -0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 3bd0 h TYR 235 Cb 1.15 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 3bd0 h TYR 235 CO 0.01 0.81 -0.20 -0.07 -1.64 0.00 0.00 178.16 177.08 3bd0 h LEU 236 N 1.21 1.04 -1.25 2.82 3.38 -0.56 -2.48 115.31 119.46 3bd0 h LEU 236 Ca 0.31 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3bd0 h LEU 236 Cb 0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3bd0 h LEU 236 CO -0.05 1.19 -0.25 0.11 0.09 0.00 0.00 178.44 179.53 3bd0 h LYS 237 N 0.88 0.00 0.11 1.13 1.57 -1.12 0.11 116.57 119.26 3bd0 h LYS 237 Ca 0.12 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.65 3bd0 h LYS 237 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3bd0 h LYS 237 CO 0.06 0.25 -1.22 -0.22 -0.57 0.00 0.00 179.45 177.76 3bd0 h LYS 238 N 0.00 0.24 -0.00 3.15 3.64 -0.95 -3.40 116.57 119.25 3bd0 h LYS 238 Ca -0.00 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3bd0 h LYS 238 Cb 0.70 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3bd0 h LYS 238 CO 0.03 1.20 -0.02 0.66 -2.27 0.00 0.00 179.45 179.06 3bd0 n TYR 239 N -4.01 0.00 -3.51 1.91 4.01 -0.97 -5.02 117.16 109.57 3bd0 n TYR 239 Ca -0.22 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.27 3bd0 n TYR 239 Cb 0.86 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.88 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 -0.22 -1.72 -1.59 -0.72 8.25 0.03 -4.84 115.22 114.40 3bd0 n HIS 240 Ca 0.01 0.48 -0.45 0.00 -0.26 0.00 0.00 57.72 57.50 3bd0 n HIS 240 Cb 0.03 -2.61 -0.02 0.00 1.12 0.00 0.00 29.99 28.52 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 -2.26 1.35 -3.65 0.41 4.05 -1.26 -4.78 115.26 109.11 3bd0 n ASN 241 Ca 0.01 1.18 -0.41 0.00 0.45 0.00 0.00 54.58 55.81 3bd0 n ASN 241 Cb 0.52 -1.29 -0.00 0.00 1.23 0.00 0.00 39.78 40.23 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 0.28 4.20 -2.96 -0.44 -2.24 -1.26 -4.91 114.28 106.95 3bd0 n THR 242 Ca 0.10 -3.60 -0.43 0.00 -2.27 0.00 0.00 64.05 57.84 3bd0 n THR 242 Cb 0.32 -2.44 -0.05 0.00 -2.10 0.00 0.00 70.33 66.06 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 1.36 4.59 0.18 2.28 1.01 -1.26 -3.25 121.20 126.11 3bd0 s ILE 243 Ca 0.50 0.10 -0.24 0.00 0.00 0.00 0.00 60.65 61.00 3bd0 s ILE 243 Cb 0.14 -4.42 0.06 0.00 0.01 0.00 0.00 42.46 38.26 3bd0 s ILE 243 CO -0.05 -0.93 1.57 0.00 0.00 0.00 0.00 174.94 175.52 3bd0 n GLY 245 N -1.41 4.09 0.29 0.00 0.00 -1.26 -4.53 105.19 102.38 3bd0 n GLY 245 Ca 0.03 -1.07 0.19 0.00 0.00 0.00 0.00 46.02 45.18 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 1.13 0.00 0.00 1.61 0.11 -1.81 -1.20 114.38 114.22 3bd0 h ARG 246 Ca 0.39 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.35 3bd0 h ARG 246 Cb 1.52 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.58 3bd0 h ARG 246 CO 0.85 0.00 -0.75 0.45 0.10 0.00 0.00 179.97 180.61 3bd0 h HIS 247 N 0.00 0.00 -0.94 4.08 3.86 -1.87 -2.75 115.15 117.53 3bd0 h HIS 247 Ca 0.00 0.00 0.27 0.00 -1.16 0.00 0.00 60.37 59.48 3bd0 h HIS 247 Cb 0.13 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.46 3bd0 h HIS 247 CO 0.00 0.91 0.42 -1.35 0.86 0.00 0.00 177.93 178.77 3bd0 h PRO 248 N -1.00 0.31 -0.62 2.45 0.11 -1.88 0.13 132.00 131.50 3bd0 h PRO 248 Ca -0.18 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.85 3bd0 h PRO 248 Cb 0.94 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 3bd0 h PRO 248 CO -0.11 0.20 0.11 0.82 -0.21 0.00 0.00 178.00 178.82 3bd0 h ILE 249 N 0.32 1.26 -0.33 4.15 2.04 -1.34 -0.15 117.51 123.46 3bd0 h ILE 249 Ca 0.63 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 65.53 3bd0 h ILE 249 Cb 1.32 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3bd0 h ILE 249 CO -0.60 0.37 0.13 1.23 0.00 0.00 0.00 178.15 179.28 3bd0 h GLY 250 N 0.94 0.42 0.37 5.37 0.00 -0.54 -0.52 103.07 109.11 3bd0 h GLY 250 Ca 0.19 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.46 3bd0 h GLY 250 CO 0.01 0.05 -0.35 -2.08 0.00 0.00 0.00 176.54 174.17 3bd0 h VAL 251 N 0.28 0.27 -0.17 4.60 2.07 -0.39 -2.02 116.25 120.88 3bd0 h VAL 251 Ca 0.14 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.71 3bd0 h VAL 251 Cb 0.10 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 3bd0 h VAL 251 CO -0.13 0.00 -0.18 0.25 0.02 0.00 0.00 177.57 177.53 3bd0 h LEU 252 N -0.56 -0.56 -1.44 2.57 5.85 -0.81 -1.07 115.31 119.29 3bd0 h LEU 252 Ca 0.03 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3bd0 h LEU 252 Cb 0.60 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 3bd0 h LEU 252 CO -0.22 -0.22 0.38 -0.07 -0.34 0.00 0.00 178.44 177.98 3bd0 h LEU 253 N -0.20 0.66 -0.22 2.25 3.38 -1.00 0.15 115.31 120.32 3bd0 h LEU 253 Ca 0.11 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 3bd0 h LEU 253 Cb 0.37 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3bd0 h LEU 253 CO -0.29 0.47 -0.37 0.78 0.09 0.00 0.00 178.44 179.11 3bd0 h ASN 254 N 0.77 0.71 -0.95 -0.43 2.35 -0.94 -1.41 115.58 115.68 3bd0 h ASN 254 Ca 0.22 -0.53 0.05 0.00 -0.55 0.00 0.00 56.30 55.49 3bd0 h ASN 254 Cb -0.07 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.04 3bd0 h ASN 254 CO -0.05 1.10 0.62 0.00 -1.65 0.00 0.00 177.43 177.45 3bd0 h ALA 255 N 0.62 1.43 -0.23 -0.83 0.00 -0.56 -1.27 119.26 118.43 3bd0 h ALA 255 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3bd0 h ALA 255 Cb 0.97 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3bd0 h ALA 255 CO 0.08 0.45 0.04 0.82 0.00 0.00 0.00 179.25 180.64 3bd0 h ILE 256 N 1.14 1.22 -0.11 0.00 2.04 -0.45 -2.55 117.51 118.81 3bd0 h ILE 256 Ca 0.40 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 3bd0 h ILE 256 Cb 0.11 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3bd0 h ILE 256 CO -0.14 0.23 -0.21 0.71 0.00 0.00 0.00 178.15 178.74 3bd0 h THR 257 N 0.18 1.21 -0.37 -0.27 1.35 -1.09 -1.21 112.91 112.71 3bd0 h THR 257 Ca 0.07 -0.95 -0.04 0.00 -0.55 0.00 0.00 66.41 64.94 3bd0 h THR 257 Cb 0.31 1.37 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 3bd0 h THR 257 CO 0.00 0.29 0.08 -0.08 -0.25 0.00 0.00 175.52 175.56 3bd0 h GLU 258 N 0.17 0.54 0.00 4.72 4.57 -0.88 -1.94 114.58 121.76 3bd0 h GLU 258 Ca 0.03 -0.09 -0.19 0.00 -1.18 0.00 0.00 59.36 57.93 3bd0 h GLU 258 Cb 0.48 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 3bd0 h GLU 258 CO 0.03 0.51 -1.00 -0.07 -1.18 0.00 0.00 179.01 177.31 3bd0 h LEU 259 N 0.53 0.00 -1.04 1.64 3.38 -1.04 -3.23 115.31 115.55 3bd0 h LEU 259 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3bd0 h LEU 259 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3bd0 h LEU 259 CO -0.00 0.81 0.41 1.56 0.09 0.00 0.00 178.44 181.31 3bd0 h GLN 260 N 0.00 1.08 -0.43 1.13 4.20 -0.78 -1.50 115.11 118.81 3bd0 h GLN 260 Ca -0.06 -0.13 0.12 0.00 0.06 0.00 0.00 58.65 58.64 3bd0 h GLN 260 Cb 1.67 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 29.22 3bd0 h GLN 260 CO 0.10 0.80 0.45 0.87 -0.67 0.00 0.00 178.83 180.37 3bd0 h LYS 261 N 1.08 0.00 -0.46 1.46 1.57 -1.38 -2.18 116.57 116.66 3bd0 h LYS 261 Ca 0.27 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.92 3bd0 h LYS 261 Cb 0.05 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.28 3bd0 h LYS 261 CO -0.04 0.00 0.09 0.09 -0.57 0.00 0.00 179.45 179.02 3bd0 n ASN 262 N -3.75 3.90 0.00 0.86 3.02 -0.59 -4.94 115.26 113.76 3bd0 n ASN 262 Ca 0.08 -3.28 0.00 0.00 -0.03 0.00 0.00 54.58 51.34 3bd0 n ASN 262 Cb 0.63 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.54 1.32 3.77 7.41 0.00 -0.82 -5.02 105.19 111.31 3bd0 n GLY 263 Ca 0.32 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.23 4.22 -0.20 1.61 -1.94 -1.08 -5.02 119.30 116.66 3bd0 s MET 264 Ca 0.00 2.14 -0.05 0.00 -1.71 0.00 0.00 55.69 56.06 3bd0 s MET 264 Cb 0.00 -2.94 -0.03 0.00 2.01 0.00 0.00 34.83 33.88 3bd0 s MET 264 CO 0.00 -0.28 0.01 -0.80 -0.01 0.00 0.00 175.02 173.94 3bd0 s ASN 265 N -0.65 4.96 -0.00 3.03 0.02 -1.25 -4.43 114.94 116.61 3bd0 s ASN 265 Ca 0.52 -0.15 -0.02 0.00 -1.02 0.00 0.00 52.86 52.19 3bd0 s ASN 265 Cb -0.38 -1.85 -0.00 0.00 0.02 0.00 0.00 41.25 39.04 3bd0 s ASN 265 CO 0.50 0.08 0.03 -0.04 0.02 0.00 0.00 177.10 177.69 3bd0 s MET 266 N 0.89 0.17 -0.05 -0.60 -1.94 -1.26 0.35 119.30 116.86 3bd0 s MET 266 Ca 0.01 -0.18 0.06 0.00 -1.71 0.00 0.00 55.69 53.87 3bd0 s MET 266 Cb -0.14 0.07 -0.01 0.00 2.01 0.00 0.00 34.83 36.76 3bd0 s MET 266 CO 0.02 -0.03 -0.22 -1.54 -0.01 0.00 0.00 175.02 173.24 3bd0 s SER 267 N -0.55 2.70 -0.09 3.03 1.04 -1.01 -4.99 113.70 113.83 3bd0 s SER 267 Ca -0.06 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 55.88 3bd0 s SER 267 Cb -0.04 -0.69 -0.04 0.00 0.10 0.00 0.00 66.02 65.35 3bd0 s SER 267 CO -0.00 0.22 0.07 0.12 0.98 0.00 0.00 173.24 174.63 3bd0 s PHE 268 N -0.14 3.37 -0.04 5.02 5.36 -1.26 -1.00 117.98 129.29 3bd0 s PHE 268 Ca -0.02 0.35 0.00 0.00 -0.96 0.00 0.00 56.93 56.29 3bd0 s PHE 268 Cb -0.12 -1.85 0.03 0.00 -0.34 0.00 0.00 43.02 40.73 3bd0 s PHE 268 CO 0.03 0.60 -0.00 -1.12 -1.46 0.00 0.00 175.22 173.26 3bd0 s SER 269 N -1.05 0.74 0.22 6.13 0.01 -0.64 -4.69 113.70 114.42 3bd0 s SER 269 Ca 0.15 -0.05 -0.30 0.00 1.31 0.00 0.00 55.95 57.07 3bd0 s SER 269 Cb -0.12 -0.29 -0.09 0.00 0.21 0.00 0.00 66.02 65.74 3bd0 s SER 269 CO 0.04 -0.12 0.99 -0.36 0.41 0.00 0.00 173.24 174.21 3bd0 s PHE 270 N 1.22 3.84 -0.05 2.43 0.08 -1.26 -1.45 117.98 122.80 3bd0 s PHE 270 Ca -0.07 1.83 0.08 0.00 0.12 0.00 0.00 56.93 58.89 3bd0 s PHE 270 Cb -0.13 -3.08 -0.12 0.00 -0.57 0.00 0.00 43.02 39.11 3bd0 s PHE 270 CO -0.02 0.12 0.12 1.28 -0.10 0.00 0.00 175.22 176.62 3bd0 n LEU 271 N 1.69 0.00 -3.68 -0.37 7.99 0.22 -4.93 117.00 117.92 3bd0 n LEU 271 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.85 3bd0 n LEU 271 Cb 0.47 0.10 -0.07 0.00 -0.11 0.00 0.00 43.42 43.80 3bd0 n LEU 271 CO 0.51 0.10 0.16 0.21 -1.51 0.00 0.00 177.39 176.86 3bd0 s ASN 272 N -3.53 -0.33 -0.03 -1.43 2.47 -1.10 -5.01 114.94 105.99 3bd0 s ASN 272 Ca -0.04 0.21 0.00 0.00 0.42 0.00 0.00 52.86 53.46 3bd0 s ASN 272 Cb 0.04 0.40 0.03 0.00 -1.45 0.00 0.00 41.25 40.27 3bd0 s ASN 272 CO 0.37 -0.55 0.01 -0.47 -3.72 0.00 0.00 177.10 172.74 3bd0 s TYR 273 N -1.61 0.27 0.05 0.43 6.14 -1.26 -1.98 117.35 119.38 3bd0 s TYR 273 Ca -0.11 0.03 0.00 0.00 0.64 0.00 0.00 57.07 57.64 3bd0 s TYR 273 Cb -0.03 -0.41 -0.03 0.00 0.42 0.00 0.00 41.96 41.91 3bd0 s TYR 273 CO 0.04 -0.14 -0.05 0.00 0.64 0.00 0.00 175.55 176.04 3bd0 s ALA 274 N 1.17 0.53 -0.03 3.97 0.00 0.82 -5.00 121.76 123.22 3bd0 s ALA 274 Ca -0.08 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 50.90 3bd0 s ALA 274 Cb -0.13 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 3bd0 s ALA 274 CO -0.02 -0.24 -0.17 -0.65 0.00 0.00 0.00 175.76 174.68 3bd0 s GLN 275 N -2.98 1.63 0.29 0.00 -0.21 -1.26 -0.11 119.66 117.03 3bd0 s GLN 275 Ca 0.00 -0.61 0.01 0.00 0.02 0.00 0.00 55.36 54.79 3bd0 s GLN 275 Cb 0.01 -1.47 0.55 0.00 1.00 0.00 0.00 33.01 33.10 3bd0 s GLN 275 CO -0.05 0.29 1.87 0.66 -2.12 0.00 0.00 175.29 175.94 3bd0 h SER 276 N 6.06 0.91 -5.18 5.90 4.64 -1.50 -3.45 113.55 120.93 3bd0 h SER 276 Ca -0.34 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 60.89 3bd0 h SER 276 Cb 1.16 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 3bd0 h SER 276 CO 0.48 0.53 0.12 -0.94 -0.87 0.00 0.00 176.83 176.16 3bd0 s SER 277 N -5.84 0.36 -0.39 4.97 1.04 -1.26 -4.99 113.70 107.59 3bd0 s SER 277 Ca -0.12 -1.30 -0.08 0.00 0.48 0.00 0.00 55.95 54.93 3bd0 s SER 277 Cb 0.21 0.80 0.07 0.00 0.10 0.00 0.00 66.02 67.20 3bd0 s SER 277 CO 0.80 -1.59 0.21 -1.10 0.98 0.00 0.00 173.24 172.54 3bd0 s GLN 278 N -2.44 2.55 0.12 4.02 -0.21 -1.26 -4.82 119.66 117.62 3bd0 s GLN 278 Ca 0.21 -1.40 -0.31 0.00 0.02 0.00 0.00 55.36 53.87 3bd0 s GLN 278 Cb -0.04 -3.66 -0.09 0.00 1.00 0.00 0.00 33.01 30.22 3bd0 s GLN 278 CO 0.15 -0.87 1.47 0.00 -2.12 0.00 0.00 175.29 173.92 3bd0 n ARG 280 N 4.16 2.45 -4.58 0.00 1.74 -1.26 -1.77 116.66 117.40 3bd0 n ARG 280 Ca 0.13 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.93 3bd0 n ARG 280 Cb 0.41 -0.90 -0.08 0.00 -1.02 0.00 0.00 32.46 30.87 3bd0 n ARG 280 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3bd0 s ASN 281 N -2.90 3.14 0.53 0.55 2.20 -1.26 -4.67 114.94 112.52 3bd0 s ASN 281 Ca 0.00 -1.69 0.31 0.00 -0.94 0.00 0.00 52.86 50.55 3bd0 s ASN 281 Cb 0.00 0.54 1.38 0.00 -2.00 0.00 0.00 41.25 41.16 3bd0 s ASN 281 CO 0.00 -0.93 2.00 -0.50 -2.94 0.00 0.00 177.10 174.73 3bd0 h TRP 282 N 1.67 0.00 -0.00 1.54 4.06 -2.03 -2.10 115.95 119.08 3bd0 h TRP 282 Ca -0.37 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.58 3bd0 h TRP 282 Cb 1.28 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.44 3bd0 h TRP 282 CO 1.56 0.08 -0.23 0.00 -3.56 0.00 0.00 178.44 176.29 3bd0 n GLN 283 N -3.26 0.43 -1.76 0.49 0.00 -1.26 -4.48 117.38 107.54 3bd0 n GLN 283 Ca -0.00 -0.19 -0.31 0.00 0.00 0.00 0.00 57.00 56.50 3bd0 n GLN 283 Cb 0.30 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 29.07 3bd0 n GLN 283 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3bd0 s ASP 284 N -2.70 5.89 -0.05 2.61 1.01 -0.79 -4.98 116.67 117.67 3bd0 s ASP 284 Ca 0.21 1.48 -0.21 0.00 0.71 0.00 0.00 52.55 54.74 3bd0 s ASP 284 Cb 0.19 -2.46 0.04 0.00 1.01 0.00 0.00 42.92 41.70 3bd0 s ASP 284 CO 0.55 -1.09 0.46 -0.94 0.21 0.00 0.00 175.17 174.36 3bd0 s SER 285 N -4.05 -0.40 0.21 0.27 1.04 -1.26 -4.57 113.70 104.95 3bd0 s SER 285 Ca 0.56 0.43 -0.14 0.00 0.48 0.00 0.00 55.95 57.28 3bd0 s SER 285 Cb -0.12 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.50 3bd0 s SER 285 CO 0.54 -0.46 0.46 -0.94 0.98 0.00 0.00 173.24 173.82 3bd0 s SER 286 N -1.05 -0.13 -0.03 7.02 1.04 -0.83 -4.76 113.70 114.95 3bd0 s SER 286 Ca -0.11 -0.73 0.06 0.00 0.48 0.00 0.00 55.95 55.65 3bd0 s SER 286 Cb -0.03 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 3bd0 s SER 286 CO 0.06 -1.06 -0.22 -0.69 0.98 0.00 0.00 173.24 172.30 3bd0 s VAL 287 N -3.95 1.77 0.02 5.02 1.01 -1.26 -0.88 120.40 122.13 3bd0 s VAL 287 Ca 0.16 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 3bd0 s VAL 287 Cb -0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3bd0 s VAL 287 CO 0.02 0.50 0.25 -0.44 0.00 0.00 0.00 175.10 175.43 3bd0 s SER 288 N -0.31 6.45 -0.05 3.32 0.01 0.26 -1.21 113.70 122.17 3bd0 s SER 288 Ca 0.03 0.48 0.02 0.00 1.31 0.00 0.00 55.95 57.78 3bd0 s SER 288 Cb -0.11 -2.05 0.02 0.00 0.21 0.00 0.00 66.02 64.09 3bd0 s SER 288 CO 0.01 0.23 -0.08 -0.31 0.41 0.00 0.00 173.24 173.50 3bd0 s TYR 289 N -1.36 1.03 0.08 2.43 2.02 0.85 -0.37 117.35 122.03 3bd0 s TYR 289 Ca 0.29 -0.32 0.07 0.00 -0.37 0.00 0.00 57.07 56.74 3bd0 s TYR 289 Cb -0.13 -0.80 -0.03 0.00 -0.40 0.00 0.00 41.96 40.60 3bd0 s TYR 289 CO 0.18 -0.20 -0.19 0.00 -1.57 0.00 0.00 175.55 173.77 3bd0 s ALA 290 N 0.68 1.66 -0.05 3.71 0.00 -1.26 -0.13 121.76 126.36 3bd0 s ALA 290 Ca -0.11 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.74 3bd0 s ALA 290 Cb -0.14 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3bd0 s ALA 290 CO 0.02 0.33 -0.10 0.00 0.00 0.00 0.00 175.76 176.01 3bd0 s ALA 291 N -1.04 1.05 0.12 0.00 0.00 -0.84 -4.01 121.76 117.04 3bd0 s ALA 291 Ca 0.05 -0.31 -0.10 0.00 0.00 0.00 0.00 51.96 51.59 3bd0 s ALA 291 Cb -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.55 3bd0 s ALA 291 CO 0.03 0.10 0.27 0.20 0.00 0.00 0.00 175.76 176.36 3bd0 s GLY 292 N 0.62 0.14 0.06 0.00 0.00 -0.59 0.69 107.32 108.24 3bd0 s GLY 292 Ca -0.12 -0.59 0.08 0.00 0.00 0.00 0.00 44.72 44.10 3bd0 s GLY 292 CO 0.02 -0.70 -0.22 0.00 0.00 0.00 0.00 173.10 172.20 3bd0 s ALA 293 N -3.89 1.88 -0.10 3.20 0.00 -0.53 -0.65 121.76 121.68 3bd0 s ALA 293 Ca 0.09 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 3bd0 s ALA 293 Cb 0.04 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 3bd0 s ALA 293 CO -0.07 0.42 0.25 -1.17 0.00 0.00 0.00 175.76 175.19 3bd0 s LEU 294 N -1.35 4.37 -0.14 0.00 2.96 0.10 -1.63 118.68 123.00 3bd0 s LEU 294 Ca 0.08 0.61 -0.00 0.00 -0.22 0.00 0.00 54.13 54.60 3bd0 s LEU 294 Cb -0.09 -2.29 0.03 0.00 0.50 0.00 0.00 46.19 44.34 3bd0 s LEU 294 CO 0.02 0.31 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.37 3bd0 s THR 295 N -0.64 1.25 -0.08 3.68 2.01 -0.17 -0.90 115.64 120.79 3bd0 s THR 295 Ca 0.17 -0.49 -0.28 0.00 0.31 0.00 0.00 61.69 61.41 3bd0 s THR 295 Cb -0.14 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 3bd0 s THR 295 CO 0.06 0.36 0.91 -0.69 -0.69 0.00 0.00 174.62 174.57 3bd0 s VAL 296 N 1.61 4.88 -1.98 3.82 1.01 -1.26 -2.41 120.40 126.06 3bd0 s VAL 296 Ca 0.04 1.86 0.16 0.00 0.00 0.00 0.00 61.98 64.04 3bd0 s VAL 296 Cb -0.13 -4.23 0.13 0.00 0.00 0.00 0.00 36.38 32.14 3bd0 s VAL 296 CO -0.09 0.10 1.00 1.41 0.00 0.00 0.00 175.10 177.53