#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 0.00 -4.84 2.52 0.24 -1.26 -4.70 118.33 110.30 3bd0 n VAL 6 Ca 0.00 -0.39 -0.33 0.00 -2.04 0.00 0.00 64.34 61.58 3bd0 n VAL 6 Cb 0.00 0.21 -0.13 0.00 -1.47 0.00 0.00 33.84 32.44 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 -0.48 3.81 0.60 0.00 3.52 0.65 -4.97 118.95 122.09 3bd0 s ARG 8 Ca 0.06 0.25 -0.18 0.00 -0.13 0.00 0.00 55.73 55.74 3bd0 s ARG 8 Cb -0.12 -3.77 -0.03 0.00 -1.56 0.00 0.00 34.95 29.48 3bd0 s ARG 8 CO 0.02 -0.68 1.14 -1.21 -0.81 0.00 0.00 175.30 173.76 3bd0 s GLU 9 N 2.75 3.01 -1.40 5.12 0.41 -1.26 -1.33 118.70 126.01 3bd0 s GLU 9 Ca 0.27 1.59 -0.15 0.00 -0.41 0.00 0.00 54.97 56.27 3bd0 s GLU 9 Cb -0.14 -1.96 0.02 0.00 -1.78 0.00 0.00 34.13 30.27 3bd0 s GLU 9 CO 0.14 -1.12 2.19 0.00 -0.49 0.00 0.00 175.26 175.97 3bd0 n ALA 10 N -1.82 5.28 0.30 5.21 0.00 -1.26 -4.78 120.51 123.44 3bd0 n ALA 10 Ca 0.12 -3.83 0.04 0.00 0.00 0.00 0.00 53.44 49.77 3bd0 n ALA 10 Cb 0.51 -3.55 0.18 0.00 0.00 0.00 0.00 19.45 16.59 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 6.32 0.00 -0.46 0.00 3.41 -1.26 -1.18 113.62 120.45 3bd0 n SER 11 Ca 0.52 0.43 0.06 0.00 -0.26 0.00 0.00 58.87 59.61 3bd0 n SER 11 Cb 0.39 -0.46 0.05 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.46 0.03 -1.81 7.33 8.25 -1.26 -4.97 115.22 121.33 3bd0 n HIS 12 Ca 0.02 -0.03 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 3bd0 n HIS 12 Cb 0.09 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.93 3.72 0.00 -1.41 0.00 -0.32 -1.86 121.76 120.96 3bd0 s ALA 13 Ca 0.14 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.63 3bd0 s ALA 13 Cb 0.09 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3bd0 s ALA 13 CO 0.14 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.36 3bd0 n GLY 14 N 2.10 3.06 0.07 0.00 0.00 0.67 -4.82 105.19 106.27 3bd0 n GLY 14 Ca 0.08 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 45.19 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 1.30 1.69 0.11 1.61 3.41 -0.88 -4.63 113.62 116.23 3bd0 n SER 15 Ca 0.00 0.47 -0.02 0.00 -0.26 0.00 0.00 58.87 59.06 3bd0 n SER 15 Cb 0.00 -0.78 0.01 0.00 -0.26 0.00 0.00 64.21 63.18 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 -0.91 0.00 -3.80 7.33 4.06 -1.69 -3.47 115.95 117.47 3bd0 h TRP 16 Ca 0.00 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 3bd0 h TRP 16 Cb 0.66 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.70 3bd0 h TRP 16 CO -0.28 0.75 -0.24 1.52 -3.56 0.00 0.00 178.44 176.63 3bd0 s TYR 17 N -3.01 0.39 0.26 0.49 1.13 -1.25 -2.06 117.35 113.31 3bd0 s TYR 17 Ca 0.01 -0.74 -0.31 0.00 -1.41 0.00 0.00 57.07 54.62 3bd0 s TYR 17 Cb 0.10 0.03 -0.11 0.00 -1.10 0.00 0.00 41.96 40.88 3bd0 s TYR 17 CO 0.78 -0.83 1.63 0.99 -2.51 0.00 0.00 175.55 175.61 3bd0 s THR 18 N -3.99 2.09 0.17 -3.49 2.01 -1.26 -0.24 115.64 110.93 3bd0 s THR 18 Ca 0.20 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.33 3bd0 s THR 18 Cb 0.02 -3.05 -0.15 0.00 0.01 0.00 0.00 72.50 69.34 3bd0 s THR 18 CO 0.04 0.01 1.39 0.00 -0.69 0.00 0.00 174.62 175.37 3bd0 h ALA 19 N 5.47 0.56 -1.80 7.40 0.00 -1.87 -3.40 119.26 125.61 3bd0 h ALA 19 Ca -0.46 -0.76 -0.57 0.00 0.00 0.00 0.00 54.91 53.12 3bd0 h ALA 19 Cb 1.21 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 3bd0 h ALA 19 CO 0.84 1.02 1.10 0.45 0.00 0.00 0.00 179.25 182.67 3bd0 s SER 20 N -6.82 6.26 0.09 0.00 0.15 -1.26 -4.76 113.70 107.35 3bd0 s SER 20 Ca -0.01 0.89 -0.27 0.00 0.70 0.00 0.00 55.95 57.25 3bd0 s SER 20 Cb 0.11 -2.54 -0.11 0.00 -1.71 0.00 0.00 66.02 61.77 3bd0 s SER 20 CO 0.81 -1.48 1.44 1.23 1.20 0.00 0.00 173.24 176.44 3bd0 h GLY 21 N 12.45 -1.19 -0.73 9.45 0.00 -1.86 0.16 103.07 121.36 3bd0 h GLY 21 Ca -0.28 0.65 0.11 0.00 0.00 0.00 0.00 47.33 47.80 3bd0 h GLY 21 CO 1.08 -0.29 -0.30 -1.05 0.00 0.00 0.00 176.54 175.97 3bd0 n PRO 22 N -4.85 -0.19 -0.10 4.80 -0.02 -1.26 0.11 135.00 133.49 3bd0 n PRO 22 Ca -0.06 1.12 -0.12 0.00 -2.02 0.00 0.00 63.50 62.42 3bd0 n PRO 22 Cb 0.32 -1.66 -0.04 0.00 -0.02 0.00 0.00 33.50 32.10 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 0.59 -0.29 -0.52 4.20 -1.70 -2.39 115.11 115.00 3bd0 h GLN 23 Ca 0.24 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3bd0 h GLN 23 Cb 0.42 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3bd0 h GLN 23 CO -0.72 0.82 0.18 1.25 -0.67 0.00 0.00 178.83 179.69 3bd0 h LEU 24 N 0.34 0.35 -0.72 1.46 5.85 -0.18 -1.24 115.31 121.18 3bd0 h LEU 24 Ca 0.07 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3bd0 h LEU 24 Cb 0.63 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 3bd0 h LEU 24 CO 0.04 0.30 0.40 -1.13 -0.34 0.00 0.00 178.44 177.71 3bd0 h ASN 25 N 0.38 0.58 -0.30 1.25 -1.24 -0.31 -1.08 115.58 114.86 3bd0 h ASN 25 Ca 0.11 0.04 0.01 0.00 0.71 0.00 0.00 56.30 57.17 3bd0 h ASN 25 Cb 0.01 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 3bd0 h ASN 25 CO -0.02 0.36 0.17 0.00 -1.29 0.00 0.00 177.43 176.64 3bd0 h ALA 26 N 1.39 0.37 0.12 1.57 0.00 -1.18 -2.12 119.26 119.40 3bd0 h ALA 26 Ca 0.33 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3bd0 h ALA 26 Cb 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3bd0 h ALA 26 CO -0.21 -0.21 -0.09 1.96 0.00 0.00 0.00 179.25 180.70 3bd0 h GLN 27 N 0.34 -0.20 -0.07 0.00 4.20 -0.33 -1.53 115.11 117.52 3bd0 h GLN 27 Ca 0.12 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 3bd0 h GLN 27 Cb 0.01 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3bd0 h GLN 27 CO -0.06 -0.14 -0.17 -0.07 -0.67 0.00 0.00 178.83 177.72 3bd0 h LEU 28 N -0.21 0.11 -0.18 1.46 3.38 -1.22 -1.30 115.31 117.34 3bd0 h LEU 28 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3bd0 h LEU 28 Cb 0.19 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3bd0 h LEU 28 CO -0.01 0.29 0.12 -0.08 0.09 0.00 0.00 178.44 178.85 3bd0 h GLU 29 N 0.11 0.25 -0.30 1.13 4.57 -1.06 -0.45 114.58 118.82 3bd0 h GLU 29 Ca 0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3bd0 h GLU 29 Cb 0.37 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3bd0 h GLU 29 CO 0.02 0.19 0.19 0.78 -1.18 0.00 0.00 179.01 179.01 3bd0 h GLY 30 N 0.23 0.43 0.95 1.92 0.00 -0.23 0.05 103.07 106.43 3bd0 h GLY 30 Ca 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3bd0 h GLY 30 CO -0.01 0.17 0.18 1.49 0.00 0.00 0.00 176.54 178.36 3bd0 h TRP 31 N 0.39 0.53 -0.09 5.60 6.55 -1.32 -3.10 115.95 124.52 3bd0 h TRP 31 Ca 0.11 -0.03 -0.11 0.00 0.95 0.00 0.00 58.89 59.81 3bd0 h TRP 31 Cb -0.01 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.11 3bd0 h TRP 31 CO -0.05 0.45 -0.45 -0.07 -1.05 0.00 0.00 178.44 177.27 3bd0 h LEU 32 N 0.46 0.22 -0.69 -4.49 3.38 -0.71 -3.01 115.31 110.48 3bd0 h LEU 32 Ca 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3bd0 h LEU 32 Cb 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3bd0 h LEU 32 CO -0.02 0.65 0.00 0.77 0.09 0.00 0.00 178.44 179.94 3bd0 h SER 33 N 0.17 0.00 0.61 -0.43 4.64 -0.92 -2.60 113.55 115.03 3bd0 h SER 33 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3bd0 h SER 33 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3bd0 h SER 33 CO 0.07 0.00 -0.21 0.00 -0.87 0.00 0.00 176.83 175.82 3bd0 n GLN 34 N -2.86 0.24 -3.97 4.77 6.02 -1.14 -4.80 117.38 115.63 3bd0 n GLN 34 Ca 0.03 -0.09 -0.36 0.00 -0.01 0.00 0.00 57.00 56.57 3bd0 n GLN 34 Cb 0.38 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.07 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 -2.82 5.11 -0.11 5.09 1.01 -0.98 -5.10 120.40 122.60 3bd0 s VAL 35 Ca 0.18 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 3bd0 s VAL 35 Cb 0.19 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3bd0 s VAL 35 CO 0.57 0.55 0.14 0.00 0.00 0.00 0.00 175.10 176.36 3bd0 s GLN 36 N -0.46 3.42 0.07 2.72 -2.07 -1.26 -5.00 119.66 117.08 3bd0 s GLN 36 Ca 0.11 -0.16 -0.31 0.00 -1.82 0.00 0.00 55.36 53.18 3bd0 s GLN 36 Cb -0.12 -3.16 -0.09 0.00 -1.09 0.00 0.00 33.01 28.55 3bd0 s GLN 36 CO 0.02 0.77 1.70 -1.12 -1.32 0.00 0.00 175.29 175.33 3bd0 s SER 37 N -1.12 6.56 0.00 12.60 0.01 -1.26 -4.84 113.70 125.66 3bd0 s SER 37 Ca 0.16 2.54 0.00 0.00 1.31 0.00 0.00 55.95 59.96 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 0.05 -0.92 0.00 0.35 0.41 0.00 0.00 173.24 173.14 3bd0 n THR 38 N 4.79 0.00 -1.25 1.44 -2.24 -1.26 -4.93 114.28 110.83 3bd0 n THR 38 Ca 0.16 -0.03 0.07 0.00 -2.27 0.00 0.00 64.05 61.99 3bd0 n THR 38 Cb 0.40 0.30 0.10 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.43 1.03 -1.92 -0.78 4.76 -1.26 -5.06 118.16 114.50 3bd0 n LYS 39 Ca 0.00 -2.18 -0.39 0.00 -2.87 0.00 0.00 58.31 52.88 3bd0 n LYS 39 Cb 0.00 -1.25 0.02 0.00 -1.84 0.00 0.00 35.03 31.95 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 -2.15 3.59 -0.43 1.97 0.52 -1.25 -2.78 118.95 118.41 3bd0 s ARG 40 Ca 0.24 2.21 -0.19 0.00 -0.52 0.00 0.00 55.73 57.46 3bd0 s ARG 40 Cb 0.21 -2.52 0.02 0.00 0.52 0.00 0.00 34.95 33.18 3bd0 s ARG 40 CO 0.02 -0.82 0.55 -1.25 0.02 0.00 0.00 175.30 173.82 3bd0 s PRO 41 N -2.58 3.23 0.11 3.54 0.04 -1.26 -5.09 135.00 132.98 3bd0 s PRO 41 Ca 0.64 -0.51 -0.36 0.00 0.04 0.00 0.00 61.00 60.80 3bd0 s PRO 41 Cb -0.39 -3.95 -0.16 0.00 0.04 0.00 0.00 34.50 30.04 3bd0 s PRO 41 CO 0.49 -0.92 1.42 0.00 0.04 0.00 0.00 177.00 178.02 3bd0 n ALA 42 N 5.97 -0.26 -0.02 8.56 0.00 0.01 -4.81 120.51 129.96 3bd0 n ALA 42 Ca -0.04 0.49 -0.04 0.00 0.00 0.00 0.00 53.44 53.86 3bd0 n ALA 42 Cb 0.48 -2.16 -0.13 0.00 0.00 0.00 0.00 19.45 17.64 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 2.83 0.65 -4.01 0.00 3.00 0.13 -4.77 116.66 114.49 3bd0 n ARG 43 Ca 0.18 0.13 -0.08 0.00 -0.00 0.00 0.00 57.85 58.08 3bd0 n ARG 43 Cb 0.22 -1.70 -0.10 0.00 0.00 0.00 0.00 32.46 30.88 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 -2.79 0.21 0.05 5.13 0.00 -1.21 -1.38 121.76 121.77 3bd0 s ALA 44 Ca -0.06 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.10 3bd0 s ALA 44 Cb 0.08 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 3bd0 s ALA 44 CO 0.83 -0.30 -0.08 0.96 0.00 0.00 0.00 175.76 177.17 3bd0 s ILE 45 N -2.83 0.59 -0.15 0.00 -4.36 0.24 -0.26 121.20 114.44 3bd0 s ILE 45 Ca -0.03 -1.20 -0.02 0.00 -0.26 0.00 0.00 60.65 59.14 3bd0 s ILE 45 Cb 0.00 -0.77 -0.02 0.00 1.25 0.00 0.00 42.46 42.92 3bd0 s ILE 45 CO -0.06 -0.43 -0.08 -0.63 0.24 0.00 0.00 174.94 173.97 3bd0 s ILE 46 N -1.65 3.43 0.03 8.37 1.01 0.65 -0.33 121.20 132.71 3bd0 s ILE 46 Ca -0.07 -0.52 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 3bd0 s ILE 46 Cb -0.08 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 39.92 3bd0 s ILE 46 CO -0.00 0.50 0.20 0.00 0.00 0.00 0.00 174.94 175.64 3bd0 s ALA 47 N 0.44 -0.41 0.82 9.38 0.00 -0.76 -1.57 121.76 129.66 3bd0 s ALA 47 Ca -0.07 -0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.60 3bd0 s ALA 47 Cb -0.15 0.22 0.08 0.00 0.00 0.00 0.00 23.12 23.27 3bd0 s ALA 47 CO 0.04 -0.32 1.10 -1.25 0.00 0.00 0.00 175.76 175.33 3bd0 s PRO 48 N -2.16 1.92 -0.05 0.00 0.04 -1.22 -1.38 135.00 132.15 3bd0 s PRO 48 Ca -0.08 0.60 0.07 0.00 0.04 0.00 0.00 61.00 61.63 3bd0 s PRO 48 Cb -0.03 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.72 3bd0 s PRO 48 CO -0.02 -1.72 1.04 -2.39 0.04 0.00 0.00 177.00 173.95 3bd0 n HIS 49 N -3.50 0.00 -0.90 0.56 1.44 -1.26 -4.76 115.22 106.81 3bd0 n HIS 49 Ca 0.07 -0.40 -0.30 0.00 -2.01 0.00 0.00 57.72 55.08 3bd0 n HIS 49 Cb 0.57 -0.09 0.18 0.00 0.12 0.00 0.00 29.99 30.77 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 -1.15 0.93 0.45 1.59 0.00 -1.26 -4.90 121.76 117.42 3bd0 s ALA 50 Ca 0.12 0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.90 3bd0 s ALA 50 Cb 0.11 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.87 3bd0 s ALA 50 CO 0.01 -2.89 1.21 0.41 0.00 0.00 0.00 175.76 174.50 3bd0 n GLY 51 N -0.27 0.36 0.30 0.00 0.00 -1.26 -4.64 105.19 99.68 3bd0 n GLY 51 Ca 0.07 0.14 0.16 0.00 0.00 0.00 0.00 46.02 46.39 3bd0 n GLY 51 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3bd0 h TYR 52 N 1.80 0.00 0.00 1.61 0.99 -1.79 -0.99 116.97 118.58 3bd0 h TYR 52 Ca -0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.25 3bd0 h TYR 52 Cb 1.31 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.04 3bd0 h TYR 52 CO 0.46 0.02 0.00 0.00 -0.00 0.00 0.00 178.16 178.64 3bd0 h THR 53 N 0.00 0.00 0.00 -2.88 1.03 -1.89 -1.11 112.91 108.06 3bd0 h THR 53 Ca -0.00 -0.40 -0.24 0.00 -0.01 0.00 0.00 66.41 65.76 3bd0 h THR 53 Cb 0.05 1.32 -0.05 0.00 -1.07 0.00 0.00 68.15 68.40 3bd0 h THR 53 CO 0.00 0.00 -1.92 -1.22 -0.01 0.00 0.00 175.52 172.38 3bd0 n TYR 54 N -2.86 0.00 0.10 0.00 4.02 -0.44 -4.80 117.16 113.18 3bd0 n TYR 54 Ca 0.01 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.92 3bd0 n TYR 54 Cb 0.26 -0.65 0.04 0.00 -0.02 0.00 0.00 39.34 38.98 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 0.99 1.21 2.00 0.00 0.00 -1.40 -2.11 103.07 103.76 3bd0 h GLY 56 Ca 0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 46.66 3bd0 h GLY 56 CO 0.00 0.53 -0.59 1.76 0.00 0.00 0.00 176.54 178.23 3bd0 h SER 57 N 1.14 0.00 0.27 0.19 0.02 -1.86 -2.90 113.55 110.41 3bd0 h SER 57 Ca 0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 3bd0 h SER 57 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3bd0 h SER 57 CO -0.05 0.59 -0.13 0.00 -1.14 0.00 0.00 176.83 176.11 3bd0 h ALA 59 N -0.42 1.94 -0.29 0.00 0.00 -1.38 -0.42 119.26 118.69 3bd0 h ALA 59 Ca -0.04 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3bd0 h ALA 59 Cb 0.51 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3bd0 h ALA 59 CO 0.06 -0.30 0.24 0.00 0.00 0.00 0.00 179.25 179.25 3bd0 h ALA 60 N 1.63 2.15 -0.17 0.00 0.00 -1.59 0.20 119.26 121.49 3bd0 h ALA 60 Ca 0.55 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.37 3bd0 h ALA 60 Cb 1.11 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3bd0 h ALA 60 CO -0.31 -0.39 -0.25 0.45 0.00 0.00 0.00 179.25 178.75 3bd0 h HIS 61 N 0.00 0.33 0.02 0.00 3.86 -1.19 -1.38 115.15 116.78 3bd0 h HIS 61 Ca 0.14 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3bd0 h HIS 61 Cb 0.62 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.00 3bd0 h HIS 61 CO 0.00 0.54 -0.01 0.00 0.86 0.00 0.00 177.93 179.32 3bd0 h ALA 62 N 1.47 -0.02 0.00 2.45 0.00 -0.75 -3.37 119.26 119.04 3bd0 h ALA 62 Ca 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3bd0 h ALA 62 Cb 0.59 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3bd0 h ALA 62 CO 0.04 -0.08 -0.12 1.88 0.00 0.00 0.00 179.25 180.98 3bd0 h TYR 63 N -0.89 0.00 0.00 0.00 0.05 -1.20 -2.20 116.97 112.72 3bd0 h TYR 63 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3bd0 h TYR 63 Cb 0.78 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.52 3bd0 h TYR 63 CO 0.20 0.12 0.00 -0.22 -1.05 0.00 0.00 178.16 177.21 3bd0 h LYS 64 N 0.00 0.00 -0.00 4.88 1.63 -1.40 -2.70 116.57 118.97 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 0.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 3bd0 h LYS 64 CO 0.02 0.00 -0.24 1.04 -3.45 0.00 0.00 179.45 176.82 3bd0 n GLN 65 N -2.31 0.51 -2.75 1.90 1.13 -0.83 -4.74 117.38 110.29 3bd0 n GLN 65 Ca 0.02 -0.24 -0.42 0.00 -1.94 0.00 0.00 57.00 54.42 3bd0 n GLN 65 Cb 0.24 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.06 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 -2.66 4.88 -0.47 5.09 1.01 -1.02 -0.81 120.40 126.42 3bd0 s VAL 66 Ca 0.22 1.99 -0.17 0.00 0.00 0.00 0.00 61.98 64.01 3bd0 s VAL 66 Cb 0.19 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 32.34 3bd0 s VAL 66 CO 0.55 0.18 0.48 -0.62 0.00 0.00 0.00 175.10 175.69 3bd0 s ASP 67 N 0.95 6.18 0.52 3.32 -1.08 -1.26 -4.93 116.67 120.37 3bd0 s ASP 67 Ca 0.50 -1.03 0.19 0.00 -0.52 0.00 0.00 52.55 51.69 3bd0 s ASP 67 Cb -0.21 -2.23 1.30 0.00 -1.46 0.00 0.00 42.92 40.32 3bd0 s ASP 67 CO 0.27 -0.72 2.08 -0.65 0.52 0.00 0.00 175.17 176.67 3bd0 h PRO 68 N 8.83 0.03 -0.19 4.34 0.11 -1.91 -1.73 132.00 141.49 3bd0 h PRO 68 Ca -0.28 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.85 3bd0 h PRO 68 Cb 1.11 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3bd0 h PRO 68 CO 0.89 0.02 0.13 0.77 -0.21 0.00 0.00 178.00 179.59 3bd0 h SER 69 N 0.03 0.17 0.00 -2.05 0.02 -1.95 -3.36 113.55 106.42 3bd0 h SER 69 Ca 0.11 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.88 3bd0 h SER 69 Cb 0.41 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3bd0 h SER 69 CO -0.00 0.12 -1.66 -0.38 -1.14 0.00 0.00 176.83 173.76 3bd0 n ILE 70 N -4.51 0.66 -2.41 3.27 5.41 -0.68 -5.00 119.36 116.09 3bd0 n ILE 70 Ca 0.00 -0.25 -0.42 0.00 1.00 0.00 0.00 62.75 63.09 3bd0 n ILE 70 Cb 0.12 -0.98 -0.03 0.00 -0.71 0.00 0.00 39.64 38.04 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 -2.23 3.97 0.00 1.39 2.01 -1.01 -4.43 115.64 115.34 3bd0 s THR 71 Ca -0.16 1.44 0.00 0.00 0.31 0.00 0.00 61.69 63.28 3bd0 s THR 71 Cb 0.04 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.63 3bd0 s THR 71 CO 0.26 0.13 0.00 0.54 -0.69 0.00 0.00 174.62 174.86 3bd0 n ARG 72 N 3.75 2.24 -3.77 4.92 5.12 -0.08 -4.88 116.66 123.96 3bd0 n ARG 72 Ca 0.08 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.77 3bd0 n ARG 72 Cb 0.46 -0.90 -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 -1.71 0.65 -0.29 5.56 0.52 -0.71 -0.30 118.95 122.66 3bd0 s ARG 73 Ca 0.00 0.06 -0.05 0.00 -0.52 0.00 0.00 55.73 55.22 3bd0 s ARG 73 Cb 0.00 -1.07 0.02 0.00 0.52 0.00 0.00 34.95 34.42 3bd0 s ARG 73 CO 0.00 -0.32 0.04 0.42 0.02 0.00 0.00 175.30 175.46 3bd0 s ILE 74 N 1.96 3.57 0.02 1.52 1.01 -0.46 -1.48 121.20 127.34 3bd0 s ILE 74 Ca 0.05 -0.92 -0.26 0.00 0.00 0.00 0.00 60.65 59.51 3bd0 s ILE 74 Cb -0.13 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 3bd0 s ILE 74 CO -0.06 0.04 0.81 -0.36 0.00 0.00 0.00 174.94 175.38 3bd0 s PHE 75 N 1.42 3.69 -0.24 3.97 0.40 0.13 -0.41 117.98 126.94 3bd0 s PHE 75 Ca 0.00 1.50 0.02 0.00 -0.60 0.00 0.00 56.93 57.85 3bd0 s PHE 75 Cb -0.18 -2.90 0.05 0.00 0.51 0.00 0.00 43.02 40.50 3bd0 s PHE 75 CO 0.01 0.17 -0.11 0.42 0.70 0.00 0.00 175.22 176.40 3bd0 s ILE 76 N 0.36 1.98 -0.44 0.64 1.01 -0.75 0.48 121.20 124.49 3bd0 s ILE 76 Ca 0.42 -1.39 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 3bd0 s ILE 76 Cb -0.20 -2.07 0.08 0.00 0.01 0.00 0.00 42.46 40.28 3bd0 s ILE 76 CO 0.24 0.06 0.30 -0.76 0.00 0.00 0.00 174.94 174.78 3bd0 s LEU 77 N 1.21 5.31 0.03 2.97 1.43 0.06 -0.94 118.68 128.76 3bd0 s LEU 77 Ca -0.06 -1.50 0.06 0.00 -1.03 0.00 0.00 54.13 51.60 3bd0 s LEU 77 Cb -0.18 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 3bd0 s LEU 77 CO -0.07 -0.58 -0.15 -0.83 0.23 0.00 0.00 176.35 174.96 3bd0 s GLY 78 N 2.28 1.63 0.59 -3.19 0.00 -0.71 -1.55 107.32 106.37 3bd0 s GLY 78 Ca 0.03 -1.15 -0.15 0.00 0.00 0.00 0.00 44.72 43.45 3bd0 s GLY 78 CO 0.03 -1.04 1.04 2.56 0.00 0.00 0.00 173.10 175.69 3bd0 s PRO 79 N -1.48 3.42 -0.07 2.90 0.04 -1.26 -0.14 135.00 138.41 3bd0 s PRO 79 Ca 0.16 1.13 -0.14 0.00 0.04 0.00 0.00 61.00 62.19 3bd0 s PRO 79 Cb -0.11 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 3bd0 s PRO 79 CO 0.06 -0.72 0.36 -1.54 0.04 0.00 0.00 177.00 175.20 3bd0 s SER 80 N -2.94 6.65 -0.15 6.66 1.04 -0.89 -4.59 113.70 119.49 3bd0 s SER 80 Ca 0.62 0.77 0.18 0.00 0.48 0.00 0.00 55.95 58.01 3bd0 s SER 80 Cb -0.15 -2.22 -0.27 0.00 0.10 0.00 0.00 66.02 63.49 3bd0 s SER 80 CO 0.37 0.24 0.18 1.41 0.98 0.00 0.00 173.24 176.42 3bd0 n HIS 81 N 2.52 0.00 -0.12 5.02 8.25 -1.26 -4.81 115.22 124.82 3bd0 n HIS 81 Ca -0.13 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.09 3bd0 n HIS 81 Cb 0.52 -0.83 -0.10 0.00 1.12 0.00 0.00 29.99 30.71 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 -2.58 0.52 -3.88 4.41 8.25 -1.26 -4.98 115.22 115.70 3bd0 n HIS 82 Ca -0.24 0.23 -0.29 0.00 -0.26 0.00 0.00 57.72 57.15 3bd0 n HIS 82 Cb 0.97 -1.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 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 -2.44 5.33 0.12 1.59 -7.23 -1.26 -5.07 120.40 111.44 3bd0 s VAL 83 Ca -0.33 -0.43 -0.31 0.00 -1.81 0.00 0.00 61.98 59.11 3bd0 s VAL 83 Cb 0.10 -3.67 -0.08 0.00 0.56 0.00 0.00 36.38 33.28 3bd0 s VAL 83 CO 0.52 0.03 1.40 -2.16 -0.31 0.00 0.00 175.10 174.59 3bd0 s PRO 84 N -2.81 4.32 -0.18 4.82 0.04 -1.26 -4.94 135.00 134.99 3bd0 s PRO 84 Ca 0.36 2.10 -0.05 0.00 0.04 0.00 0.00 61.00 63.45 3bd0 s PRO 84 Cb -0.12 -3.24 0.09 0.00 0.04 0.00 0.00 34.50 31.27 3bd0 s PRO 84 CO 0.28 -0.44 0.32 -1.17 0.04 0.00 0.00 177.00 176.03 3bd0 s LEU 85 N 1.02 -0.42 0.00 -3.56 2.96 -1.26 -5.02 118.68 112.40 3bd0 s LEU 85 Ca 0.64 0.51 0.25 0.00 -0.22 0.00 0.00 54.13 55.32 3bd0 s LEU 85 Cb -0.37 0.89 0.55 0.00 0.50 0.00 0.00 46.19 47.76 3bd0 s LEU 85 CO 0.31 -0.26 1.44 -1.54 -1.32 0.00 0.00 176.35 174.98 3bd0 n SER 86 N 5.36 1.60 0.00 3.68 3.41 -1.26 -0.08 113.62 126.33 3bd0 n SER 86 Ca -0.06 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 3bd0 n SER 86 Cb 0.50 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 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 -0.11 1.50 -4.72 4.33 3.00 -1.26 -4.49 116.66 114.91 3bd0 n ARG 87 Ca 0.13 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.67 3bd0 n ARG 87 Cb 0.41 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.73 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 -0.90 2.02 0.20 0.00 0.00 -0.31 -0.80 121.76 121.97 3bd0 s ALA 89 Ca 0.12 -1.32 0.08 0.00 0.00 0.00 0.00 51.96 50.85 3bd0 s ALA 89 Cb -0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 3bd0 s ALA 89 CO 0.03 0.43 0.02 -0.51 0.00 0.00 0.00 175.76 175.74 3bd0 s LEU 90 N -1.90 3.35 0.70 0.00 1.43 -0.33 -1.14 118.68 120.78 3bd0 s LEU 90 Ca 0.09 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 3bd0 s LEU 90 Cb -0.10 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.19 3bd0 s LEU 90 CO 0.05 0.05 1.15 -0.55 0.23 0.00 0.00 176.35 177.28 3bd0 s SER 91 N -3.22 4.67 0.00 2.29 0.15 -1.26 -0.84 113.70 115.50 3bd0 s SER 91 Ca 0.29 2.14 0.18 0.00 0.70 0.00 0.00 55.95 59.26 3bd0 s SER 91 Cb -0.08 -2.57 0.47 0.00 -1.71 0.00 0.00 66.02 62.13 3bd0 s SER 91 CO 0.20 -1.93 1.39 -1.54 1.20 0.00 0.00 173.24 172.56 3bd0 n SER 92 N -2.61 3.44 -4.84 5.45 3.41 -1.25 -4.81 113.62 112.42 3bd0 n SER 92 Ca 0.12 -1.98 -0.25 0.00 -0.26 0.00 0.00 58.87 56.49 3bd0 n SER 92 Cb 0.51 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.04 2.03 -0.11 -3.33 -7.23 -1.26 -4.98 120.40 104.47 3bd0 s VAL 93 Ca 0.37 -1.56 0.20 0.00 -1.81 0.00 0.00 61.98 59.18 3bd0 s VAL 93 Cb 0.19 -2.59 -0.28 0.00 0.56 0.00 0.00 36.38 34.26 3bd0 s VAL 93 CO 0.26 0.00 0.33 0.47 -0.31 0.00 0.00 175.10 175.85 3bd0 n ASP 94 N -1.52 0.07 -4.01 4.85 9.92 -0.56 -4.89 116.55 120.40 3bd0 n ASP 94 Ca -0.02 0.03 -0.18 0.00 -0.53 0.00 0.00 54.79 54.09 3bd0 n ASP 94 Cb 0.64 1.42 -0.15 0.00 -0.64 0.00 0.00 41.12 42.39 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 -3.03 0.69 -0.24 0.53 1.01 -0.61 -1.05 121.20 118.50 3bd0 s ILE 95 Ca -0.08 -0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 3bd0 s ILE 95 Cb 0.10 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.98 3bd0 s ILE 95 CO 0.87 0.20 0.01 -0.31 0.00 0.00 0.00 174.94 175.70 3bd0 s TYR 96 N -0.17 3.03 0.52 3.97 1.51 -0.19 -0.25 117.35 125.77 3bd0 s TYR 96 Ca 0.03 -0.80 -0.11 0.00 -1.01 0.00 0.00 57.07 55.18 3bd0 s TYR 96 Cb -0.04 -2.17 -0.05 0.00 -0.11 0.00 0.00 41.96 39.59 3bd0 s TYR 96 CO -0.00 -0.50 0.91 1.03 -1.11 0.00 0.00 175.55 175.87 3bd0 s ARG 97 N 1.52 3.71 -0.08 -0.62 0.52 -0.44 -0.54 118.95 123.02 3bd0 s ARG 97 Ca 0.05 0.61 -0.16 0.00 -0.52 0.00 0.00 55.73 55.71 3bd0 s ARG 97 Cb -0.15 -2.23 0.04 0.00 0.52 0.00 0.00 34.95 33.13 3bd0 s ARG 97 CO -0.00 -0.30 0.39 0.99 0.02 0.00 0.00 175.30 176.40 3bd0 s THR 98 N -2.77 0.03 0.43 0.02 2.01 -1.26 -4.26 115.64 109.84 3bd0 s THR 98 Ca 0.53 -0.21 0.32 0.00 0.31 0.00 0.00 61.69 62.64 3bd0 s THR 98 Cb -0.10 -0.63 0.35 0.00 0.01 0.00 0.00 72.50 72.12 3bd0 s THR 98 CO 0.42 -0.12 2.14 -0.65 -0.69 0.00 0.00 174.62 175.72 3bd0 h PRO 99 N 4.52 0.00 0.00 4.92 0.11 -1.93 -3.27 132.00 136.36 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 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3bd0 h PRO 99 CO 0.33 0.07 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.10 3bd0 h LEU 100 N 0.00 0.00 -7.00 2.35 3.38 -1.93 -3.36 115.31 108.75 3bd0 h LEU 100 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3bd0 h LEU 100 Cb 0.27 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.88 3bd0 h LEU 100 CO 0.01 0.22 0.32 -0.72 0.09 0.00 0.00 178.44 178.36 3bd0 s TYR 101 N -1.25 -0.46 0.40 1.13 -0.85 -1.23 -5.06 117.35 110.03 3bd0 s TYR 101 Ca -0.00 0.28 -0.21 0.00 -0.52 0.00 0.00 57.07 56.62 3bd0 s TYR 101 Cb 0.00 0.55 -0.11 0.00 0.38 0.00 0.00 41.96 42.79 3bd0 s TYR 101 CO 0.01 -0.73 0.92 -0.51 -1.52 0.00 0.00 175.55 173.72 3bd0 s ASP 102 N -2.64 6.97 -0.01 -0.18 1.01 -1.26 -4.06 116.67 116.50 3bd0 s ASP 102 Ca 0.03 1.66 0.05 0.00 0.71 0.00 0.00 52.55 54.99 3bd0 s ASP 102 Cb -0.01 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 3bd0 s ASP 102 CO -0.11 -0.30 -0.14 -0.76 0.21 0.00 0.00 175.17 174.07 3bd0 s LEU 103 N -3.01 2.80 -0.14 1.23 1.43 0.30 -4.97 118.68 116.33 3bd0 s LEU 103 Ca 0.59 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 3bd0 s LEU 103 Cb -0.10 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 3bd0 s LEU 103 CO 0.15 0.30 0.21 -0.13 0.23 0.00 0.00 176.35 177.11 3bd0 s ARG 104 N -1.12 3.93 0.08 1.70 0.52 -1.26 -1.02 118.95 121.79 3bd0 s ARG 104 Ca 0.14 -0.03 -0.30 0.00 -0.52 0.00 0.00 55.73 55.02 3bd0 s ARG 104 Cb -0.11 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 31.99 3bd0 s ARG 104 CO 0.04 0.49 1.03 0.42 0.02 0.00 0.00 175.30 177.29 3bd0 s ILE 105 N -0.24 4.42 -0.53 1.52 1.01 -0.21 -0.63 121.20 126.54 3bd0 s ILE 105 Ca 0.14 1.89 -0.27 0.00 0.00 0.00 0.00 60.65 62.42 3bd0 s ILE 105 Cb -0.13 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 3bd0 s ILE 105 CO 0.03 0.23 2.02 -0.62 0.00 0.00 0.00 174.94 176.61 3bd0 s ASP 106 N 0.43 5.12 0.30 3.58 -1.08 -0.56 -4.81 116.67 119.64 3bd0 s ASP 106 Ca 0.51 0.72 0.01 0.00 -0.52 0.00 0.00 52.55 53.26 3bd0 s ASP 106 Cb -0.25 -2.52 0.52 0.00 -1.46 0.00 0.00 42.92 39.22 3bd0 s ASP 106 CO 0.30 -2.42 1.91 1.56 0.52 0.00 0.00 175.17 177.03 3bd0 h GLN 107 N 16.01 1.01 0.87 4.34 1.08 -1.92 -1.78 115.11 134.72 3bd0 h GLN 107 Ca -0.27 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 56.83 3bd0 h GLN 107 Cb 1.20 -0.23 0.01 0.00 -0.05 0.00 0.00 27.48 28.41 3bd0 h GLN 107 CO 1.17 0.67 -0.42 -0.22 -0.95 0.00 0.00 178.83 179.08 3bd0 h LYS 108 N 1.04 -1.13 -0.81 1.46 3.64 -1.99 0.14 116.57 118.91 3bd0 h LYS 108 Ca 0.40 0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.84 3bd0 h LYS 108 Cb 0.21 0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 3bd0 h LYS 108 CO -0.15 -0.75 0.44 0.82 -2.27 0.00 0.00 179.45 177.54 3bd0 h ILE 109 N -1.27 1.24 -0.37 2.00 2.04 -1.97 0.15 117.51 119.34 3bd0 h ILE 109 Ca -0.12 -0.60 0.11 0.00 1.00 0.00 0.00 64.86 65.24 3bd0 h ILE 109 Cb 0.90 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3bd0 h ILE 109 CO 0.20 0.27 0.27 1.88 0.00 0.00 0.00 178.15 180.76 3bd0 h TYR 110 N 1.13 0.00 0.03 1.37 -1.99 -1.20 0.30 116.97 116.61 3bd0 h TYR 110 Ca 0.28 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.01 3bd0 h TYR 110 Cb 0.04 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.77 3bd0 h TYR 110 CO 0.00 0.00 -0.02 0.78 -0.00 0.00 0.00 178.16 178.93 3bd0 h GLY 111 N 0.00 -0.05 0.13 3.88 0.00 0.92 -2.63 103.07 105.32 3bd0 h GLY 111 Ca 0.17 0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.60 3bd0 h GLY 111 CO -0.00 -0.02 -0.16 0.83 0.00 0.00 0.00 176.54 177.19 3bd0 h GLU 112 N -0.83 -0.10 -0.22 4.80 5.08 -0.68 -2.12 114.58 120.52 3bd0 h GLU 112 Ca -0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3bd0 h GLU 112 Cb 0.70 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 3bd0 h GLU 112 CO 0.01 -0.06 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.86 3bd0 h LEU 113 N -0.10 -0.13 -1.39 1.33 3.38 -0.53 -2.84 115.31 115.03 3bd0 h LEU 113 Ca 0.18 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3bd0 h LEU 113 Cb 0.38 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3bd0 h LEU 113 CO -0.43 -0.04 0.40 -0.25 0.09 0.00 0.00 178.44 178.22 3bd0 h TRP 114 N 0.04 0.78 0.00 1.13 2.91 -1.14 -1.21 115.95 118.46 3bd0 h TRP 114 Ca 0.11 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.14 3bd0 h TRP 114 Cb 0.15 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 28.53 3bd0 h TRP 114 CO -0.20 0.49 0.00 1.63 -1.03 0.00 0.00 178.44 179.33 3bd0 n LYS 115 N -4.44 0.13 0.22 2.65 5.02 -0.83 -1.84 118.16 119.08 3bd0 n LYS 115 Ca 0.06 0.33 0.09 0.00 -2.02 0.00 0.00 58.31 56.77 3bd0 n LYS 115 Cb 0.05 -1.73 0.49 0.00 -0.02 0.00 0.00 35.03 33.81 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 0.64 -0.94 -0.18 1.35 -1.14 -3.47 112.91 109.17 3bd0 h THR 116 Ca 0.00 -1.08 -0.22 0.00 -0.55 0.00 0.00 66.41 64.56 3bd0 h THR 116 Cb 0.37 1.71 -0.05 0.00 -1.73 0.00 0.00 68.15 68.44 3bd0 h THR 116 CO 0.00 0.23 -0.23 0.61 -0.25 0.00 0.00 175.52 175.88 3bd0 n GLY 117 N -0.03 0.65 0.74 5.82 0.00 -0.77 -4.89 105.19 106.72 3bd0 n GLY 117 Ca -0.00 -0.50 0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.40 1.65 -4.38 1.61 2.81 -1.26 -4.99 117.12 110.16 3bd0 n MET 118 Ca -0.11 -1.68 -0.27 0.00 -1.81 0.00 0.00 57.70 53.83 3bd0 n MET 118 Cb 0.46 -1.34 -0.12 0.00 -0.71 0.00 0.00 33.22 31.50 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 -1.34 2.16 0.40 2.03 0.40 -1.26 -4.29 117.98 116.07 3bd0 s PHE 119 Ca 0.23 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 56.20 3bd0 s PHE 119 Cb 0.15 -1.12 -0.01 0.00 0.51 0.00 0.00 43.02 42.55 3bd0 s PHE 119 CO 0.22 0.37 0.58 -1.21 0.70 0.00 0.00 175.22 175.88 3bd0 s GLU 120 N -2.33 3.09 -0.25 0.44 2.02 0.02 -4.97 118.70 116.71 3bd0 s GLU 120 Ca 0.15 -0.72 -0.10 0.00 0.02 0.00 0.00 54.97 54.32 3bd0 s GLU 120 Cb -0.09 -2.68 -0.05 0.00 0.10 0.00 0.00 34.13 31.42 3bd0 s GLU 120 CO 0.07 -0.12 0.15 0.50 0.02 0.00 0.00 175.26 175.88 3bd0 s ARG 121 N -4.38 3.96 0.12 1.61 3.52 -1.26 -1.18 118.95 121.33 3bd0 s ARG 121 Ca 0.47 -0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 55.44 3bd0 s ARG 121 Cb -0.10 -3.54 -0.06 0.00 -1.56 0.00 0.00 34.95 29.69 3bd0 s ARG 121 CO 0.35 -0.06 1.06 0.00 -0.81 0.00 0.00 175.30 175.84 3bd0 s MET 122 N 1.38 4.60 0.85 5.12 0.23 -0.02 -4.90 119.30 126.56 3bd0 s MET 122 Ca 0.07 1.61 -0.11 0.00 -1.03 0.00 0.00 55.69 56.23 3bd0 s MET 122 Cb -0.15 -3.34 0.10 0.00 -1.53 0.00 0.00 34.83 29.92 3bd0 s MET 122 CO 0.07 0.06 1.10 -1.54 -2.03 0.00 0.00 175.02 172.68 3bd0 s SER 123 N 0.20 3.75 0.20 -1.18 1.04 -1.26 -3.79 113.70 112.65 3bd0 s SER 123 Ca 0.50 1.81 -0.10 0.00 0.48 0.00 0.00 55.95 58.64 3bd0 s SER 123 Cb -0.27 -2.44 0.18 0.00 0.10 0.00 0.00 66.02 63.60 3bd0 s SER 123 CO 0.32 -2.52 1.84 0.25 0.98 0.00 0.00 173.24 174.11 3bd0 h LEU 124 N -1.46 0.68 -0.07 2.42 5.85 -1.96 -1.39 115.31 119.37 3bd0 h LEU 124 Ca -0.46 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.31 3bd0 h LEU 124 Cb 1.26 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 3bd0 h LEU 124 CO 0.50 0.47 -0.32 -0.61 -0.34 0.00 0.00 178.44 178.13 3bd0 h GLN 125 N 0.81 -0.42 -0.30 1.25 -0.00 -1.99 0.05 115.11 114.52 3bd0 h GLN 125 Ca 0.27 0.03 0.06 0.00 -0.00 0.00 0.00 58.65 59.02 3bd0 h GLN 125 Cb 0.04 0.10 -0.06 0.00 0.00 0.00 0.00 27.48 27.55 3bd0 h GLN 125 CO -0.11 -0.28 -0.12 1.15 0.00 0.00 0.00 178.83 179.47 3bd0 h THR 126 N -0.44 0.61 -0.30 2.39 2.02 -1.86 -0.29 112.91 115.04 3bd0 h THR 126 Ca 0.08 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.31 3bd0 h THR 126 Cb 0.56 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 3bd0 h THR 126 CO -0.31 0.00 0.01 -0.78 0.37 0.00 0.00 175.52 174.80 3bd0 h ASP 127 N -0.07 -0.11 1.22 4.18 1.82 -0.92 -1.98 116.42 120.57 3bd0 h ASP 127 Ca 0.15 0.07 -0.09 0.00 -0.39 0.00 0.00 57.03 56.77 3bd0 h ASP 127 Cb 0.29 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 3bd0 h ASP 127 CO -0.34 -0.02 -0.41 -0.33 -1.61 0.00 0.00 179.24 176.53 3bd0 h GLU 128 N 0.10 0.00 -0.16 0.28 5.08 -0.73 -3.16 114.58 115.98 3bd0 h GLU 128 Ca 0.14 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.36 3bd0 h GLU 128 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3bd0 h GLU 128 CO -0.24 0.41 -0.52 0.22 -1.00 0.00 0.00 179.01 177.88 3bd0 h ASP 129 N 0.00 0.48 -3.67 1.42 3.58 -0.54 -3.43 116.42 114.26 3bd0 h ASP 129 Ca -0.00 -0.25 -0.50 0.00 0.42 0.00 0.00 57.03 56.70 3bd0 h ASP 129 Cb 1.13 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 3bd0 h ASP 129 CO 0.05 0.91 0.29 -0.70 -2.88 0.00 0.00 179.24 176.92 3bd0 s GLU 130 N -4.00 4.76 -0.00 0.28 2.56 -0.79 -4.99 118.70 116.51 3bd0 s GLU 130 Ca -0.06 1.38 0.07 0.00 0.00 0.00 0.00 54.97 56.35 3bd0 s GLU 130 Cb 0.12 -3.28 -0.09 0.00 2.00 0.00 0.00 34.13 32.88 3bd0 s GLU 130 CO 0.82 0.52 0.22 -2.39 -0.56 0.00 0.00 175.26 173.86 3bd0 n HIS 131 N 1.60 0.00 0.28 5.30 1.44 -1.26 -4.57 115.22 118.01 3bd0 n HIS 131 Ca -0.03 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.83 3bd0 n HIS 131 Cb 0.48 -0.07 0.80 0.00 0.12 0.00 0.00 29.99 31.31 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 -1.91 -2.39 113.55 118.32 3bd0 h SER 132 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3bd0 h SER 132 Cb 0.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 3bd0 h SER 132 CO 0.00 0.08 -1.94 -0.38 -0.87 0.00 0.00 176.83 173.72 3bd0 n ILE 133 N -3.49 1.60 -0.25 0.95 5.41 -1.26 -4.46 119.36 117.86 3bd0 n ILE 133 Ca -0.02 -0.37 0.12 0.00 1.00 0.00 0.00 62.75 63.48 3bd0 n ILE 133 Cb 0.22 -1.82 0.39 0.00 -0.71 0.00 0.00 39.64 37.72 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 -0.53 0.65 0.00 0.38 4.81 -1.73 -1.73 114.58 116.44 3bd0 h GLU 134 Ca -0.48 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3bd0 h GLU 134 Cb 1.68 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.91 3bd0 h GLU 134 CO -0.15 0.43 0.00 0.52 -0.73 0.00 0.00 179.01 179.08 3bd0 h MET 135 N 0.67 0.00 -0.53 1.92 2.86 -1.66 -1.27 114.93 116.92 3bd0 h MET 135 Ca 0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 3bd0 h MET 135 Cb 0.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 3bd0 h MET 135 CO -0.19 0.00 0.00 0.72 1.06 0.00 0.00 176.91 178.50 3bd0 n HIS 136 N -2.31 0.70 -0.12 -0.22 8.25 -0.65 -4.48 115.22 116.39 3bd0 n HIS 136 Ca 0.00 -0.35 -0.25 0.00 -0.26 0.00 0.00 57.72 56.86 3bd0 n HIS 136 Cb 0.13 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.13 3bd0 n HIS 136 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3bd0 n LEU 137 N 1.29 2.32 -0.31 2.41 4.77 -0.48 -2.10 117.00 124.90 3bd0 n LEU 137 Ca 0.20 0.19 0.16 0.00 -0.03 0.00 0.00 56.01 56.53 3bd0 n LEU 137 Cb 0.53 -0.88 0.34 0.00 -2.33 0.00 0.00 43.42 41.08 3bd0 n LEU 137 CO 0.15 0.68 1.02 -0.65 -1.33 0.00 0.00 177.39 177.26 3bd0 h PRO 138 N -0.61 0.29 0.00 3.23 0.11 -1.79 -1.73 132.00 131.50 3bd0 h PRO 138 Ca -0.62 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.45 3bd0 h PRO 138 Cb 1.70 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.74 3bd0 h PRO 138 CO -0.27 0.19 -0.65 -0.92 -0.21 0.00 0.00 178.00 176.14 3bd0 h TYR 139 N 0.30 0.00 0.00 0.65 -0.00 -1.78 -1.46 116.97 114.68 3bd0 h TYR 139 Ca 0.60 0.00 -0.21 0.00 -0.00 0.00 0.00 58.73 59.12 3bd0 h TYR 139 Cb 1.23 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.93 3bd0 h TYR 139 CO -0.16 0.11 -1.43 1.79 -0.00 0.00 0.00 178.16 178.46 3bd0 h THR 140 N 0.00 0.69 -0.33 1.81 1.35 -1.41 -2.83 112.91 112.19 3bd0 h THR 140 Ca -0.02 -2.30 -0.17 0.00 -0.55 0.00 0.00 66.41 63.37 3bd0 h THR 140 Cb 1.10 2.22 -0.00 0.00 -1.73 0.00 0.00 68.15 69.73 3bd0 h THR 140 CO 0.01 0.39 -0.48 0.00 -0.25 0.00 0.00 175.52 175.20 3bd0 h ALA 141 N 1.27 0.52 0.18 6.62 0.00 -1.26 -2.49 119.26 124.10 3bd0 h ALA 141 Ca -0.18 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 3bd0 h ALA 141 Cb 1.72 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3bd0 h ALA 141 CO 0.06 0.68 -0.09 -0.22 0.00 0.00 0.00 179.25 179.68 3bd0 h LYS 142 N 0.71 -0.24 -0.16 0.00 1.63 -1.38 -2.40 116.57 114.73 3bd0 h LYS 142 Ca 0.03 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.90 3bd0 h LYS 142 Cb 1.08 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 3bd0 h LYS 142 CO 0.11 0.01 0.13 0.00 -3.45 0.00 0.00 179.45 176.25 3bd0 h ALA 143 N 0.30 2.03 -0.10 5.00 0.00 -1.54 -2.68 119.26 122.28 3bd0 h ALA 143 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3bd0 h ALA 143 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3bd0 h ALA 143 CO 0.04 -0.21 0.00 -1.33 0.00 0.00 0.00 179.25 177.75 3bd0 n MET 144 N -4.28 2.19 -0.26 0.00 2.81 -0.94 -4.55 117.12 112.10 3bd0 n MET 144 Ca 0.01 -1.92 0.06 0.00 -1.81 0.00 0.00 57.70 54.04 3bd0 n MET 144 Cb 0.26 -1.44 0.18 0.00 -0.71 0.00 0.00 33.22 31.50 3bd0 n MET 144 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 3bd0 h GLU 145 N 4.39 0.14 -0.92 0.03 4.11 -1.07 0.36 114.58 121.62 3bd0 h GLU 145 Ca 0.00 -0.01 0.23 0.00 0.07 0.00 0.00 59.36 59.65 3bd0 h GLU 145 Cb 0.94 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 3bd0 h GLU 145 CO 0.00 0.09 0.62 0.66 0.07 0.00 0.00 179.01 180.45 3bd0 h SER 146 N 0.14 0.29 -0.65 3.06 4.64 -1.85 -0.28 113.55 118.91 3bd0 h SER 146 Ca 0.43 0.03 -0.45 0.00 -0.47 0.00 0.00 61.79 61.34 3bd0 h SER 146 Cb 0.78 -0.02 -0.29 0.00 -0.31 0.00 0.00 62.40 62.56 3bd0 h SER 146 CO -0.64 0.10 -0.23 1.41 -0.87 0.00 0.00 176.83 176.60 3bd0 n HIS 147 N -4.45 2.25 0.06 4.77 8.25 0.12 -4.88 115.22 121.34 3bd0 n HIS 147 Ca 0.20 -2.18 0.20 0.00 -0.26 0.00 0.00 57.72 55.68 3bd0 n HIS 147 Cb 0.80 -0.62 0.62 0.00 1.12 0.00 0.00 29.99 31.91 3bd0 n HIS 147 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 3bd0 h LYS 148 N 1.74 0.00 -0.02 -0.41 2.10 -0.41 0.12 116.57 119.69 3bd0 h LYS 148 Ca 0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 3bd0 h LYS 148 Cb 1.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.74 3bd0 h LYS 148 CO 0.79 0.00 -0.12 -0.25 -2.00 0.00 0.00 179.45 177.88 3bd0 n ASP 149 N -3.36 2.57 -0.62 7.07 10.43 -1.26 -4.53 116.55 126.85 3bd0 n ASP 149 Ca 0.10 -1.78 0.06 0.00 2.57 0.00 0.00 54.79 55.73 3bd0 n ASP 149 Cb 0.86 0.13 0.14 0.00 1.84 0.00 0.00 41.12 44.08 3bd0 n ASP 149 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3bd0 n GLU 150 N 0.88 2.47 -4.32 -1.24 1.02 0.43 -4.99 120.64 114.90 3bd0 n GLU 150 Ca 0.12 -1.91 -0.20 0.00 -0.02 0.00 0.00 57.16 55.15 3bd0 n GLU 150 Cb 0.51 -1.26 -0.13 0.00 -0.02 0.00 0.00 31.44 30.54 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 -0.99 1.22 0.43 -0.32 -0.12 -1.25 -4.78 117.98 112.17 3bd0 s PHE 151 Ca 0.22 -0.37 0.07 0.00 -0.05 0.00 0.00 56.93 56.79 3bd0 s PHE 151 Cb 0.12 -0.72 -0.05 0.00 -0.63 0.00 0.00 43.02 41.74 3bd0 s PHE 151 CO 0.16 0.04 0.16 0.95 -0.05 0.00 0.00 175.22 176.48 3bd0 s THR 152 N -0.92 2.13 0.09 -4.49 -4.23 0.59 -4.65 115.64 104.16 3bd0 s THR 152 Ca 0.01 -1.74 0.06 0.00 -1.18 0.00 0.00 61.69 58.84 3bd0 s THR 152 Cb -0.08 -2.87 -0.03 0.00 1.34 0.00 0.00 72.50 70.85 3bd0 s THR 152 CO 0.01 0.00 -0.16 0.27 -0.54 0.00 0.00 174.62 174.21 3bd0 s ILE 153 N -2.65 1.32 -0.50 2.99 -4.36 0.20 -1.35 121.20 116.84 3bd0 s ILE 153 Ca 0.37 -1.46 0.03 0.00 -0.26 0.00 0.00 60.65 59.34 3bd0 s ILE 153 Cb 0.04 -1.30 0.15 0.00 1.25 0.00 0.00 42.46 42.60 3bd0 s ILE 153 CO 0.20 -0.22 0.31 -0.63 0.24 0.00 0.00 174.94 174.85 3bd0 s ILE 154 N -1.43 1.71 0.08 8.37 -1.09 0.45 -1.50 121.20 127.80 3bd0 s ILE 154 Ca 0.03 -3.05 -0.31 0.00 -2.23 0.00 0.00 60.65 55.09 3bd0 s ILE 154 Cb -0.09 -2.17 -0.07 0.00 -1.58 0.00 0.00 42.46 38.55 3bd0 s ILE 154 CO 0.03 -0.96 1.30 -2.84 -1.23 0.00 0.00 174.94 171.23 3bd0 s PRO 155 N -0.18 4.37 -0.08 2.79 0.02 -1.26 -1.81 135.00 138.86 3bd0 s PRO 155 Ca 0.21 1.91 0.01 0.00 0.02 0.00 0.00 61.00 63.16 3bd0 s PRO 155 Cb -0.16 -3.32 0.02 0.00 0.02 0.00 0.00 34.50 31.06 3bd0 s PRO 155 CO -0.07 -0.36 -0.08 0.08 -0.33 0.00 0.00 177.00 176.25 3bd0 s VAL 156 N 1.19 0.87 -0.26 3.83 1.01 -0.11 -4.40 120.40 122.53 3bd0 s VAL 156 Ca 0.62 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.17 3bd0 s VAL 156 Cb -0.33 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3bd0 s VAL 156 CO 0.29 0.32 0.39 -0.22 0.00 0.00 0.00 175.10 175.88 3bd0 s LEU 157 N 1.18 4.05 -0.21 3.92 2.96 -0.29 -1.75 118.68 128.54 3bd0 s LEU 157 Ca -0.06 0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 54.09 3bd0 s LEU 157 Cb -0.14 -2.46 -0.05 0.00 0.50 0.00 0.00 46.19 44.04 3bd0 s LEU 157 CO -0.02 -0.18 0.15 -0.69 -1.32 0.00 0.00 176.35 174.29 3bd0 s VAL 158 N 2.01 5.39 0.00 1.68 1.01 0.80 -1.16 120.40 130.12 3bd0 s VAL 158 Ca 0.16 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.35 3bd0 s VAL 158 Cb -0.16 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3bd0 s VAL 158 CO 0.10 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3bd0 n GLY 159 N 3.75 1.28 2.90 4.51 0.00 0.35 -2.08 105.19 115.91 3bd0 n GLY 159 Ca -0.15 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 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 5.16 -1.86 4.61 0.00 0.88 -4.85 120.51 121.46 3bd0 n ALA 160 Ca 0.00 -3.89 -0.41 0.00 0.00 0.00 0.00 53.44 49.14 3bd0 n ALA 160 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 19.45 15.89 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 2.51 4.42 0.76 0.00 1.43 -1.26 -4.68 118.68 121.86 3bd0 s LEU 161 Ca 0.48 2.58 -0.11 0.00 -1.03 0.00 0.00 54.13 56.05 3bd0 s LEU 161 Cb 0.12 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.76 3bd0 s LEU 161 CO -0.05 -0.55 1.08 -0.94 0.23 0.00 0.00 176.35 176.11 3bd0 s SER 162 N -0.08 4.76 0.30 2.29 1.04 -1.26 -4.82 113.70 115.93 3bd0 s SER 162 Ca 0.53 1.50 0.06 0.00 0.48 0.00 0.00 55.95 58.53 3bd0 s SER 162 Cb -0.39 -2.29 0.80 0.00 0.10 0.00 0.00 66.02 64.25 3bd0 s SER 162 CO 0.46 -1.83 1.71 -0.33 0.98 0.00 0.00 173.24 174.23 3bd0 h GLU 163 N -0.99 0.45 -0.33 4.02 5.08 -1.99 -0.42 114.58 120.40 3bd0 h GLU 163 Ca -0.46 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 57.76 3bd0 h GLU 163 Cb 1.24 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3bd0 h GLU 163 CO 0.57 0.30 -0.27 0.77 -1.00 0.00 0.00 179.01 179.38 3bd0 h SER 164 N 0.46 0.69 0.84 1.42 0.02 -1.99 -1.95 113.55 113.05 3bd0 h SER 164 Ca 0.60 -0.25 -0.14 0.00 -0.84 0.00 0.00 61.79 61.15 3bd0 h SER 164 Cb 1.15 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 3bd0 h SER 164 CO -0.51 0.92 -0.68 0.11 -1.14 0.00 0.00 176.83 175.53 3bd0 h LYS 165 N 0.58 0.00 -0.75 3.45 1.79 -1.55 0.38 116.57 120.47 3bd0 h LYS 165 Ca 0.08 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.50 3bd0 h LYS 165 Cb 0.75 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.37 3bd0 h LYS 165 CO 0.06 0.68 0.28 0.93 -1.08 0.00 0.00 179.45 180.32 3bd0 h GLU 166 N 0.00 1.14 -0.10 3.15 5.08 -0.84 -1.02 114.58 121.99 3bd0 h GLU 166 Ca -0.01 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3bd0 h GLU 166 Cb 1.28 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 3bd0 h GLU 166 CO 0.09 0.95 0.02 1.96 -1.00 0.00 0.00 179.01 181.03 3bd0 h GLN 167 N 1.10 0.16 0.16 2.33 4.20 -0.64 -1.15 115.11 121.27 3bd0 h GLN 167 Ca 0.25 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 3bd0 h GLN 167 Cb 0.25 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3bd0 h GLN 167 CO -0.02 0.35 -0.08 0.93 -0.67 0.00 0.00 178.83 179.34 3bd0 h GLU 168 N -0.06 -0.21 -0.54 1.46 5.08 -0.21 -0.88 114.58 119.23 3bd0 h GLU 168 Ca 0.03 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3bd0 h GLU 168 Cb 0.26 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3bd0 h GLU 168 CO 0.00 -0.04 0.06 0.74 -1.00 0.00 0.00 179.01 178.76 3bd0 h PHE 169 N -0.33 0.92 -0.01 4.33 0.04 -1.26 -2.05 116.94 118.58 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 0.26 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 3bd0 h PHE 169 CO -0.03 0.81 -0.20 0.78 -0.60 0.00 0.00 178.31 179.07 3bd0 h GLY 170 N 0.99 -0.27 0.51 -1.45 0.00 -1.05 0.40 103.07 102.19 3bd0 h GLY 170 Ca 0.17 0.24 0.06 0.00 0.00 0.00 0.00 47.33 47.80 3bd0 h GLY 170 CO 0.01 -0.18 0.09 1.70 0.00 0.00 0.00 176.54 178.17 3bd0 h LYS 171 N -0.32 0.22 0.05 4.80 3.64 -0.92 -1.90 116.57 122.15 3bd0 h LYS 171 Ca 0.06 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3bd0 h LYS 171 Cb 0.40 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3bd0 h LYS 171 CO -0.19 0.15 -0.07 1.25 -2.27 0.00 0.00 179.45 178.32 3bd0 h LEU 172 N 0.23 -0.18 -0.25 5.20 5.85 -1.05 -2.66 115.31 122.45 3bd0 h LEU 172 Ca 0.20 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3bd0 h LEU 172 Cb 0.24 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3bd0 h LEU 172 CO -0.25 -0.10 0.00 0.49 -0.34 0.00 0.00 178.44 178.23 3bd0 n PHE 173 N -5.18 0.38 0.04 1.25 3.72 0.10 -3.38 117.46 114.40 3bd0 n PHE 173 Ca -0.07 0.14 -0.04 0.00 -0.05 0.00 0.00 57.45 57.43 3bd0 n PHE 173 Cb 0.11 -0.73 0.17 0.00 -0.94 0.00 0.00 39.48 38.09 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 0.41 -0.72 4.37 4.64 -0.98 -0.81 113.55 120.47 3bd0 h SER 174 Ca 0.00 -0.18 0.01 0.00 -0.47 0.00 0.00 61.79 61.15 3bd0 h SER 174 Cb 0.37 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.31 3bd0 h SER 174 CO 0.00 0.78 0.48 0.11 -0.87 0.00 0.00 176.83 177.32 3bd0 h LYS 175 N 0.33 0.93 -0.01 4.77 1.57 -1.69 -2.22 116.57 120.25 3bd0 h LYS 175 Ca 0.03 -0.06 -0.23 0.00 -1.87 0.00 0.00 60.65 58.53 3bd0 h LYS 175 Cb 0.85 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3bd0 h LYS 175 CO 0.07 0.62 -0.94 1.88 -0.57 0.00 0.00 179.45 180.51 3bd0 h TYR 176 N 0.96 0.68 0.00 -1.35 -1.99 -1.61 -3.22 116.97 110.44 3bd0 h TYR 176 Ca 0.27 -0.36 -0.01 0.00 2.00 0.00 0.00 58.73 60.63 3bd0 h TYR 176 Cb -0.09 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 38.56 3bd0 h TYR 176 CO -0.00 1.18 -0.03 1.25 -0.00 0.00 0.00 178.16 180.56 3bd0 h LEU 177 N 0.27 0.00 0.00 3.88 5.85 -0.66 -2.25 115.31 122.40 3bd0 h LEU 177 Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3bd0 h LEU 177 Cb 1.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.60 3bd0 h LEU 177 CO 0.17 0.03 -0.06 0.00 -0.34 0.00 0.00 178.44 178.23 3bd0 n ALA 178 N -2.38 2.46 -2.70 1.25 0.00 -0.88 -4.77 120.51 113.49 3bd0 n ALA 178 Ca -0.03 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 3bd0 n ALA 178 Cb 0.12 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.10 3bd0 n ALA 178 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bd0 s ASP 179 N -3.26 7.06 0.00 0.00 -1.08 -0.85 -4.94 116.67 113.60 3bd0 s ASP 179 Ca 0.13 1.29 0.21 0.00 -0.52 0.00 0.00 52.55 53.66 3bd0 s ASP 179 Cb 0.18 -2.46 0.95 0.00 -1.46 0.00 0.00 42.92 40.12 3bd0 s ASP 179 CO 0.56 -0.25 1.68 -0.81 0.52 0.00 0.00 175.17 176.87 3bd0 n PRO 180 N 4.34 0.09 0.00 4.34 -0.04 -1.26 -1.68 135.00 140.78 3bd0 n PRO 180 Ca 0.02 0.12 0.13 0.00 -0.04 0.00 0.00 63.50 63.74 3bd0 n PRO 180 Cb 0.50 -1.50 0.70 0.00 -0.04 0.00 0.00 33.50 33.16 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 -1.44 0.00 -4.82 3.54 7.64 -1.26 -4.50 113.62 112.78 3bd0 n SER 181 Ca 0.06 -0.37 -0.22 0.00 1.01 0.00 0.00 58.87 59.36 3bd0 n SER 181 Cb 0.22 -0.17 -0.04 0.00 -1.01 0.00 0.00 64.21 63.21 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 -2.35 5.15 -0.20 6.43 0.01 -0.68 -0.90 114.94 122.41 3bd0 s ASN 182 Ca 0.30 -0.55 -0.08 0.00 -0.71 0.00 0.00 52.86 51.82 3bd0 s ASN 182 Cb 0.18 -0.93 0.08 0.00 0.41 0.00 0.00 41.25 40.99 3bd0 s ASN 182 CO 0.36 -0.33 0.45 -0.22 -1.51 0.00 0.00 177.10 175.84 3bd0 s LEU 183 N -3.96 -0.50 -0.30 0.60 2.96 -0.55 -4.75 118.68 112.19 3bd0 s LEU 183 Ca 0.40 1.03 -0.10 0.00 -0.22 0.00 0.00 54.13 55.23 3bd0 s LEU 183 Cb -0.05 1.48 -0.02 0.00 0.50 0.00 0.00 46.19 48.09 3bd0 s LEU 183 CO 0.26 -0.22 0.16 -0.36 -1.32 0.00 0.00 176.35 174.87 3bd0 s PHE 184 N 2.14 3.18 -0.40 5.38 0.08 -0.48 0.18 117.98 128.07 3bd0 s PHE 184 Ca -0.05 -0.36 -0.19 0.00 0.12 0.00 0.00 56.93 56.45 3bd0 s PHE 184 Cb -0.10 -2.37 0.01 0.00 -0.57 0.00 0.00 43.02 39.99 3bd0 s PHE 184 CO -0.14 -0.37 0.56 0.08 -0.10 0.00 0.00 175.22 175.25 3bd0 s VAL 185 N 1.66 4.95 -0.26 -0.44 1.01 0.18 -0.59 120.40 126.91 3bd0 s VAL 185 Ca 0.06 0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 3bd0 s VAL 185 Cb -0.17 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3bd0 s VAL 185 CO 0.08 -0.41 0.31 -0.69 0.00 0.00 0.00 175.10 174.39 3bd0 s VAL 186 N 2.54 5.23 -0.32 2.92 1.01 0.55 -0.76 120.40 131.57 3bd0 s VAL 186 Ca 0.19 0.45 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 3bd0 s VAL 186 Cb -0.15 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3bd0 s VAL 186 CO 0.16 0.22 0.22 -0.55 0.00 0.00 0.00 175.10 175.14 3bd0 s SER 187 N 1.50 5.98 -0.28 3.32 0.15 -0.59 -1.82 113.70 121.96 3bd0 s SER 187 Ca 0.13 -0.33 -0.20 0.00 0.70 0.00 0.00 55.95 56.25 3bd0 s SER 187 Cb -0.15 -2.11 0.09 0.00 -1.71 0.00 0.00 66.02 62.13 3bd0 s SER 187 CO 0.09 -0.18 0.76 -0.55 1.20 0.00 0.00 173.24 174.56 3bd0 s SER 188 N 1.72 -0.78 0.65 5.45 0.15 -0.48 -4.22 113.70 116.18 3bd0 s SER 188 Ca 0.06 1.36 -0.09 0.00 0.70 0.00 0.00 55.95 57.98 3bd0 s SER 188 Cb -0.17 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 3bd0 s SER 188 CO 0.10 -0.22 1.02 -1.81 1.20 0.00 0.00 173.24 173.52 3bd0 s ASP 189 N 1.02 5.62 0.00 5.45 1.01 -1.26 -3.45 116.67 125.06 3bd0 s ASP 189 Ca -0.05 1.03 0.00 0.00 0.71 0.00 0.00 52.55 54.24 3bd0 s ASP 189 Cb -0.05 -1.94 0.00 0.00 1.01 0.00 0.00 42.92 41.94 3bd0 s ASP 189 CO -0.11 -1.17 0.00 0.49 0.21 0.00 0.00 175.17 174.60 3bd0 n PHE 190 N -2.81 0.00 -1.73 4.23 3.01 0.13 -3.50 117.46 116.79 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 0.57 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 3.35 -0.15 0.00 3.76 -1.21 -0.64 115.29 122.62 3bd0 s HIS 192 Ca 0.79 -1.48 -0.07 0.00 -0.15 0.00 0.00 55.06 54.15 3bd0 s HIS 192 Cb -0.47 -3.76 -0.04 0.00 1.11 0.00 0.00 32.58 29.42 3bd0 s HIS 192 CO 0.35 -1.01 0.09 -0.46 -0.85 0.00 0.00 174.74 172.86 3bd0 s TRP 193 N 1.33 3.37 0.00 1.40 -0.00 0.18 -4.68 118.94 120.55 3bd0 s TRP 193 Ca 0.06 0.28 0.00 0.00 -0.00 0.00 0.00 56.10 56.44 3bd0 s TRP 193 Cb -0.26 -2.00 0.00 0.00 -0.00 0.00 0.00 33.47 31.21 3bd0 s TRP 193 CO 0.01 0.42 0.00 0.41 -0.00 0.00 0.00 176.95 177.78 3bd0 n GLY 194 N 2.80 3.79 0.33 5.86 0.00 0.35 -1.95 105.19 116.37 3bd0 n GLY 194 Ca -0.18 -1.70 -0.04 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.11 0.00 1.61 1.08 -1.79 -0.75 115.11 115.14 3bd0 h GLN 195 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3bd0 h GLN 195 Cb 0.00 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3bd0 h GLN 195 CO 0.00 -0.08 0.17 0.07 -0.95 0.00 0.00 178.83 178.04 3bd0 h ARG 196 N -0.12 0.00 -0.01 1.46 0.11 -1.94 0.36 114.38 114.24 3bd0 h ARG 196 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 3bd0 h ARG 196 Cb 0.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.63 3bd0 h ARG 196 CO -0.70 0.00 -0.25 1.19 0.10 0.00 0.00 179.97 180.31 3bd0 n PHE 197 N -2.75 0.00 -2.94 4.08 3.01 -0.37 -4.98 117.46 113.51 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 0.22 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.71 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 0.15 -3.95 -3.63 -1.08 1.74 0.13 -4.97 116.66 105.04 3bd0 n ARG 198 Ca 0.08 0.83 -0.28 0.00 -0.77 0.00 0.00 57.85 57.71 3bd0 n ARG 198 Cb 0.36 -5.62 -0.16 0.00 -1.02 0.00 0.00 32.46 26.02 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 -3.08 0.59 -0.31 -1.55 5.04 -0.91 -5.01 117.35 112.13 3bd0 s TYR 199 Ca 0.25 -0.76 0.16 0.00 -2.44 0.00 0.00 57.07 54.28 3bd0 s TYR 199 Cb -0.12 -0.94 0.47 0.00 0.35 0.00 0.00 41.96 41.72 3bd0 s TYR 199 CO 0.31 -0.66 1.06 -1.13 -1.34 0.00 0.00 175.55 173.79 3bd0 n SER 200 N 5.17 2.48 -4.67 4.32 3.41 -1.26 -0.49 113.62 122.57 3bd0 n SER 200 Ca -0.07 -2.77 -0.45 0.00 -0.26 0.00 0.00 58.87 55.32 3bd0 n SER 200 Cb 0.46 -0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 63.90 3bd0 n SER 200 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bd0 n TYR 201 N -0.41 2.26 -3.52 7.33 9.36 -1.26 -4.99 117.16 125.94 3bd0 n TYR 201 Ca 0.18 0.33 -0.23 0.00 3.32 0.00 0.00 57.90 61.50 3bd0 n TYR 201 Cb 0.81 -2.52 -0.14 0.00 -0.63 0.00 0.00 39.34 36.87 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 0.53 -0.04 -0.58 2.98 5.04 -1.26 -4.91 117.35 119.12 3bd0 s TYR 202 Ca 0.74 -0.27 -0.26 0.00 -2.44 0.00 0.00 57.07 54.84 3bd0 s TYR 202 Cb -0.66 -0.60 0.04 0.00 0.35 0.00 0.00 41.96 41.08 3bd0 s TYR 202 CO 0.42 -0.69 1.09 0.34 -1.34 0.00 0.00 175.55 175.37 3bd0 s ASP 203 N 2.23 6.38 0.39 4.32 -1.08 -1.26 -4.91 116.67 122.73 3bd0 s ASP 203 Ca 0.07 -0.13 0.20 0.00 -0.52 0.00 0.00 52.55 52.16 3bd0 s ASP 203 Cb -0.16 -2.50 0.68 0.00 -1.46 0.00 0.00 42.92 39.48 3bd0 s ASP 203 CO -0.21 -1.40 1.73 -0.08 0.52 0.00 0.00 175.17 175.72 3bd0 h GLU 204 N 9.48 0.00 0.00 4.34 4.81 -1.97 -1.90 114.58 129.34 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 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3bd0 h GLU 204 CO 1.15 0.33 0.00 -1.13 -0.73 0.00 0.00 179.01 178.64 3bd0 n SER 205 N -3.44 0.54 -0.09 1.04 3.41 -1.26 -2.85 113.62 110.97 3bd0 n SER 205 Ca 0.00 0.72 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 3bd0 n SER 205 Cb 0.51 -0.80 0.15 0.00 -0.26 0.00 0.00 64.21 63.81 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 -2.19 0.26 0.00 4.33 1.13 -0.71 -5.05 117.38 115.14 3bd0 n GLN 206 Ca -0.01 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 54.87 3bd0 n GLN 206 Cb 0.07 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.93 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 3.88 1.08 0.00 -1.13 -4.42 105.19 106.24 3bd0 n GLY 207 Ca 0.07 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 3bd0 n GLY 207 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bd0 s GLU 208 N 0.00 3.63 0.24 1.61 0.41 -1.26 -4.83 118.70 118.49 3bd0 s GLU 208 Ca 0.00 0.59 -0.10 0.00 -0.41 0.00 0.00 54.97 55.05 3bd0 s GLU 208 Cb 0.00 -2.19 0.35 0.00 -1.78 0.00 0.00 34.13 30.50 3bd0 s GLU 208 CO 0.00 -0.40 1.61 0.82 -0.49 0.00 0.00 175.26 176.81 3bd0 h ILE 209 N 0.06 0.28 0.00 -1.63 2.04 -1.83 0.78 117.51 117.21 3bd0 h ILE 209 Ca -0.45 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3bd0 h ILE 209 Cb 1.19 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3bd0 h ILE 209 CO 0.62 0.00 -0.06 0.10 0.00 0.00 0.00 178.15 178.81 3bd0 h TYR 210 N 0.03 0.00 0.05 1.37 -0.00 -1.77 0.65 116.97 117.30 3bd0 h TYR 210 Ca 0.37 0.00 -0.24 0.00 0.00 0.00 0.00 58.73 58.86 3bd0 h TYR 210 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.34 3bd0 h TYR 210 CO -0.54 0.06 -1.04 0.00 -0.00 0.00 0.00 178.16 176.64 3bd0 h ARG 211 N 0.00 0.34 -0.53 0.10 2.47 -1.20 -2.30 114.38 113.26 3bd0 h ARG 211 Ca -0.00 -0.43 -0.01 0.00 -1.26 0.00 0.00 59.98 58.28 3bd0 h ARG 211 Cb 0.12 0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 3bd0 h ARG 211 CO 0.01 1.13 0.27 1.03 0.56 0.00 0.00 179.97 182.97 3bd0 h SER 212 N 0.16 0.67 -0.48 7.04 0.87 0.03 -0.45 113.55 121.40 3bd0 h SER 212 Ca -0.10 -0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.37 3bd0 h SER 212 Cb 1.71 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 63.47 3bd0 h SER 212 CO 0.17 0.59 0.30 0.40 -0.53 0.00 0.00 176.83 177.76 3bd0 h ILE 213 N 0.70 1.08 0.15 2.23 2.04 -0.95 0.74 117.51 123.49 3bd0 h ILE 213 Ca 0.18 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3bd0 h ILE 213 Cb 0.08 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3bd0 h ILE 213 CO -0.03 0.11 -0.07 -0.08 0.00 0.00 0.00 178.15 178.08 3bd0 h GLU 214 N 0.60 -0.19 -0.33 2.37 4.81 -1.12 0.33 114.58 121.04 3bd0 h GLU 214 Ca 0.19 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.48 3bd0 h GLU 214 Cb -0.02 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 3bd0 h GLU 214 CO -0.07 -0.13 0.02 1.25 -0.73 0.00 0.00 179.01 179.35 3bd0 h HIS 215 N -0.20 0.03 -0.52 0.92 2.76 -0.84 0.26 115.15 117.55 3bd0 h HIS 215 Ca -0.02 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.27 3bd0 h HIS 215 Cb 0.16 0.04 -0.08 0.00 1.55 0.00 0.00 27.41 29.07 3bd0 h HIS 215 CO -0.07 -0.03 0.04 1.25 -1.30 0.00 0.00 177.93 177.81 3bd0 h LEU 216 N 0.12 -0.15 0.04 0.26 6.46 -0.59 -0.29 115.31 121.16 3bd0 h LEU 216 Ca 0.16 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 58.03 3bd0 h LEU 216 Cb 0.20 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 3bd0 h LEU 216 CO -0.25 -0.05 -0.02 0.44 -0.62 0.00 0.00 178.44 177.95 3bd0 h ASP 217 N 0.16 -0.05 0.52 1.25 3.32 -0.14 -2.89 116.42 118.59 3bd0 h ASP 217 Ca 0.26 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3bd0 h ASP 217 Cb 0.39 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3bd0 h ASP 217 CO -0.40 0.39 0.00 0.11 -1.72 0.00 0.00 179.24 177.62 3bd0 h LYS 218 N -0.49 0.00 0.02 3.56 1.79 -0.38 0.23 116.57 121.30 3bd0 h LYS 218 Ca -0.01 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 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 -0.01 0.52 -1.08 0.00 0.00 179.45 178.89 3bd0 h MET 219 N 0.00 -0.03 -0.34 3.15 2.86 -0.94 -1.63 114.93 118.00 3bd0 h MET 219 Ca 0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 3bd0 h MET 219 Cb 0.26 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 3bd0 h MET 219 CO 0.00 0.36 -0.09 0.78 1.06 0.00 0.00 176.91 179.02 3bd0 h GLY 220 N -0.42 0.62 1.48 8.32 0.00 -1.06 -2.59 103.07 109.42 3bd0 h GLY 220 Ca -0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 3bd0 h GLY 220 CO 0.00 0.39 -0.26 -0.33 0.00 0.00 0.00 176.54 176.35 3bd0 h MET 221 N 0.53 0.60 -0.15 4.80 2.07 -0.59 -2.71 114.93 119.48 3bd0 h MET 221 Ca 0.10 -0.24 -0.14 0.00 -2.07 0.00 0.00 59.70 57.35 3bd0 h MET 221 Cb 0.48 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.17 3bd0 h MET 221 CO 0.03 0.81 -0.49 1.03 1.07 0.00 0.00 176.91 179.35 3bd0 h SER 222 N 0.53 0.44 -0.30 1.22 0.87 -1.00 -2.05 113.55 113.25 3bd0 h SER 222 Ca 0.07 -0.22 -0.06 0.00 -1.23 0.00 0.00 61.79 60.35 3bd0 h SER 222 Cb 0.72 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 3bd0 h SER 222 CO 0.06 0.86 -0.06 0.40 -0.53 0.00 0.00 176.83 177.56 3bd0 h ILE 223 N 0.32 1.28 -0.70 2.23 2.04 -1.34 -2.56 117.51 118.77 3bd0 h ILE 223 Ca 0.02 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 64.88 3bd0 h ILE 223 Cb 0.98 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 38.36 3bd0 h ILE 223 CO 0.09 0.35 0.36 0.40 0.00 0.00 0.00 178.15 179.34 3bd0 h ILE 224 N 0.34 0.88 -0.03 -0.67 2.04 -1.32 0.63 117.51 119.39 3bd0 h ILE 224 Ca 0.08 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.73 3bd0 h ILE 224 Cb 0.53 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3bd0 h ILE 224 CO 0.03 0.12 0.07 -0.33 0.00 0.00 0.00 178.15 178.03 3bd0 h GLU 225 N 0.63 0.00 -0.00 2.37 5.08 -1.06 0.28 114.58 121.88 3bd0 h GLU 225 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3bd0 h GLU 225 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3bd0 h GLU 225 CO -0.24 0.00 -0.04 1.04 -1.00 0.00 0.00 179.01 178.77 3bd0 n GLN 226 N -3.33 0.57 -3.90 2.33 1.13 0.20 -4.47 117.38 109.91 3bd0 n GLN 226 Ca -0.02 -0.08 -0.28 0.00 -1.94 0.00 0.00 57.00 54.67 3bd0 n GLN 226 Cb 0.15 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.02 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 -1.14 -2.56 -3.98 1.08 4.77 0.99 -4.95 117.00 111.21 3bd0 n LEU 227 Ca 0.15 -0.84 -0.31 0.00 -0.03 0.00 0.00 56.01 54.98 3bd0 n LEU 227 Cb 0.24 -2.50 -0.15 0.00 -2.33 0.00 0.00 43.42 38.68 3bd0 n LEU 227 CO 0.23 0.43 -0.41 -0.62 -1.33 0.00 0.00 177.39 175.69 3bd0 s ASP 228 N -3.68 4.23 0.07 -1.43 -1.08 -1.24 -4.65 116.67 108.89 3bd0 s ASP 228 Ca 0.44 -1.47 -0.15 0.00 -0.52 0.00 0.00 52.55 50.86 3bd0 s ASP 228 Cb -0.22 -1.36 -0.20 0.00 -1.46 0.00 0.00 42.92 39.67 3bd0 s ASP 228 CO 0.84 -0.26 1.22 1.55 0.52 0.00 0.00 175.17 179.04 3bd0 h PRO 229 N 7.84 0.68 -0.55 4.34 0.14 -1.92 -2.38 132.00 140.15 3bd0 h PRO 229 Ca -0.15 -0.65 -0.04 0.00 0.14 0.00 0.00 66.00 65.30 3bd0 h PRO 229 Cb 1.05 0.16 -0.02 0.00 0.14 0.00 0.00 31.00 32.33 3bd0 h PRO 229 CO 0.45 1.25 0.18 0.28 0.14 0.00 0.00 178.00 180.30 3bd0 h VAL 230 N 0.34 1.23 -0.72 1.56 2.07 -1.97 0.12 116.25 118.88 3bd0 h VAL 230 Ca -0.09 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 3bd0 h VAL 230 Cb 1.49 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3bd0 h VAL 230 CO 0.17 0.29 0.32 -1.28 0.02 0.00 0.00 177.57 177.09 3bd0 h SER 231 N 0.76 0.94 -0.14 0.57 0.87 -1.98 -0.70 113.55 113.88 3bd0 h SER 231 Ca 0.18 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 3bd0 h SER 231 Cb 0.27 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3bd0 h SER 231 CO -0.01 0.81 0.00 0.15 -0.53 0.00 0.00 176.83 177.26 3bd0 h PHE 232 N 1.02 0.26 -0.98 2.24 3.57 -1.06 -0.90 116.94 121.09 3bd0 h PHE 232 Ca 0.25 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.79 3bd0 h PHE 232 Cb 0.14 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.74 3bd0 h PHE 232 CO 0.01 0.46 0.63 1.03 -2.23 0.00 0.00 178.31 178.21 3bd0 h SER 233 N -0.02 0.97 -0.21 0.41 0.87 -0.81 -0.60 113.55 114.15 3bd0 h SER 233 Ca 0.04 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 3bd0 h SER 233 Cb 0.35 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3bd0 h SER 233 CO 0.01 0.58 -0.16 0.78 -0.53 0.00 0.00 176.83 177.51 3bd0 h ASN 234 N 1.07 0.62 -0.71 6.23 2.35 -0.98 -1.71 115.58 122.46 3bd0 h ASN 234 Ca 0.45 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3bd0 h ASN 234 Cb 0.30 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 3bd0 h ASN 234 CO -0.20 0.79 0.46 0.22 -1.65 0.00 0.00 177.43 177.06 3bd0 h TYR 235 N 0.57 0.88 -0.50 1.19 3.20 -0.35 -1.50 116.97 120.46 3bd0 h TYR 235 Ca 0.09 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 3bd0 h TYR 235 Cb 0.59 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3bd0 h TYR 235 CO 0.02 0.55 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.87 3bd0 h LEU 236 N 0.94 0.96 -1.26 2.82 3.38 -0.73 -2.38 115.31 119.05 3bd0 h LEU 236 Ca 0.26 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3bd0 h LEU 236 Cb -0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 3bd0 h LEU 236 CO -0.07 1.10 -0.30 0.11 0.09 0.00 0.00 178.44 179.38 3bd0 h LYS 237 N 0.84 0.12 0.13 1.13 1.57 -1.15 0.84 116.57 120.06 3bd0 h LYS 237 Ca 0.13 -0.04 -0.25 0.00 -1.87 0.00 0.00 60.65 58.62 3bd0 h LYS 237 Cb 0.70 -0.01 0.03 0.00 0.08 0.00 0.00 32.23 33.03 3bd0 h LYS 237 CO 0.05 0.41 -1.05 -0.22 -0.57 0.00 0.00 179.45 178.08 3bd0 h LYS 238 N 0.11 0.47 0.00 3.15 3.64 -0.93 -3.39 116.57 119.62 3bd0 h LYS 238 Ca 0.02 -0.69 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 3bd0 h LYS 238 Cb 0.59 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3bd0 h LYS 238 CO 0.04 1.31 -0.45 0.66 -2.27 0.00 0.00 179.45 178.74 3bd0 n TYR 239 N -3.96 0.00 -4.22 1.91 4.01 -0.93 -5.02 117.16 108.95 3bd0 n TYR 239 Ca -0.14 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.24 3bd0 n TYR 239 Cb 0.91 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.89 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 -1.24 -1.72 -1.62 -0.72 8.25 0.29 -4.86 115.22 113.60 3bd0 n HIS 240 Ca 0.00 0.79 -0.45 0.00 -0.26 0.00 0.00 57.72 57.80 3bd0 n HIS 240 Cb 0.06 -2.88 -0.02 0.00 1.12 0.00 0.00 29.99 28.27 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 -2.63 1.79 -3.73 0.41 4.05 -1.26 -4.81 115.26 109.07 3bd0 n ASN 241 Ca 0.08 1.17 -0.42 0.00 0.45 0.00 0.00 54.58 55.86 3bd0 n ASN 241 Cb 0.49 -1.33 -0.00 0.00 1.23 0.00 0.00 39.78 40.17 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 0.80 4.03 -3.18 -0.44 -2.24 -1.26 -4.90 114.28 107.09 3bd0 n THR 242 Ca 0.10 -3.66 -0.43 0.00 -2.27 0.00 0.00 64.05 57.79 3bd0 n THR 242 Cb 0.31 -2.46 -0.07 0.00 -2.10 0.00 0.00 70.33 66.00 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 1.59 4.92 0.35 2.28 1.01 -1.26 -3.31 121.20 126.78 3bd0 s ILE 243 Ca 0.46 -0.16 0.09 0.00 0.00 0.00 0.00 60.65 61.05 3bd0 s ILE 243 Cb 0.13 -4.17 0.11 0.00 0.01 0.00 0.00 42.46 38.53 3bd0 s ILE 243 CO -0.05 -0.59 1.83 0.00 0.00 0.00 0.00 174.94 176.13 3bd0 n GLY 245 N -0.57 2.87 0.32 0.00 0.00 -1.26 -4.51 105.19 102.04 3bd0 n GLY 245 Ca -0.01 -0.44 0.18 0.00 0.00 0.00 0.00 46.02 45.75 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 0.64 0.00 0.00 1.61 0.11 -1.81 -1.27 114.38 113.66 3bd0 h ARG 246 Ca 0.22 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.12 3bd0 h ARG 246 Cb 1.66 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.71 3bd0 h ARG 246 CO 0.41 0.00 -0.97 0.45 0.10 0.00 0.00 179.97 179.97 3bd0 h HIS 247 N 0.00 0.00 -0.97 4.08 3.86 -1.87 -2.73 115.15 117.52 3bd0 h HIS 247 Ca 0.02 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.37 3bd0 h HIS 247 Cb 0.15 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.53 3bd0 h HIS 247 CO 0.00 1.33 0.61 -1.35 0.86 0.00 0.00 177.93 179.39 3bd0 h PRO 248 N -1.00 0.82 -0.51 2.45 0.11 -1.87 0.29 132.00 132.30 3bd0 h PRO 248 Ca -0.26 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 3bd0 h PRO 248 Cb 1.21 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3bd0 h PRO 248 CO -0.16 0.54 0.31 0.82 -0.21 0.00 0.00 178.00 179.30 3bd0 h ILE 249 N 0.85 1.15 -0.22 4.15 2.04 -1.35 -0.25 117.51 123.87 3bd0 h ILE 249 Ca 0.50 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 66.07 3bd0 h ILE 249 Cb 0.67 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 3bd0 h ILE 249 CO -0.27 0.16 -0.13 1.23 0.00 0.00 0.00 178.15 179.13 3bd0 h GLY 250 N 0.69 0.04 0.41 5.37 0.00 -0.84 0.03 103.07 108.77 3bd0 h GLY 250 Ca 0.18 0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.74 3bd0 h GLY 250 CO -0.03 -0.15 -0.09 -2.08 0.00 0.00 0.00 176.54 174.19 3bd0 h VAL 251 N -0.12 0.68 -0.11 4.60 2.07 -0.47 -1.70 116.25 121.20 3bd0 h VAL 251 Ca 0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.68 3bd0 h VAL 251 Cb 0.31 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3bd0 h VAL 251 CO -0.30 0.00 -0.13 0.25 0.02 0.00 0.00 177.57 177.42 3bd0 h LEU 252 N -0.03 -0.39 -1.19 2.57 5.85 -0.57 -0.82 115.31 120.72 3bd0 h LEU 252 Ca 0.14 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3bd0 h LEU 252 Cb 0.24 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3bd0 h LEU 252 CO -0.30 -0.17 0.39 -0.07 -0.34 0.00 0.00 178.44 177.96 3bd0 h LEU 253 N -0.16 0.84 -0.32 2.25 3.38 -0.63 0.25 115.31 120.92 3bd0 h LEU 253 Ca 0.08 -0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 3bd0 h LEU 253 Cb 0.28 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3bd0 h LEU 253 CO -0.20 0.67 -0.60 0.78 0.09 0.00 0.00 178.44 179.17 3bd0 h ASN 254 N 0.96 0.88 -0.90 -0.43 2.35 -0.97 -1.27 115.58 116.19 3bd0 h ASN 254 Ca 0.25 -0.49 0.02 0.00 -0.55 0.00 0.00 56.30 55.52 3bd0 h ASN 254 Cb -0.00 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.07 3bd0 h ASN 254 CO -0.04 1.28 0.59 0.00 -1.65 0.00 0.00 177.43 177.60 3bd0 h ALA 255 N 0.73 1.16 -0.35 -0.83 0.00 -0.42 -1.20 119.26 118.35 3bd0 h ALA 255 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3bd0 h ALA 255 Cb 1.20 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3bd0 h ALA 255 CO 0.13 0.49 0.06 0.82 0.00 0.00 0.00 179.25 180.75 3bd0 h ILE 256 N 1.18 1.24 -0.15 0.00 2.04 -0.11 -2.73 117.51 118.97 3bd0 h ILE 256 Ca 0.34 -0.82 -0.09 0.00 1.00 0.00 0.00 64.86 65.29 3bd0 h ILE 256 Cb -0.07 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3bd0 h ILE 256 CO -0.09 0.28 -0.32 0.71 0.00 0.00 0.00 178.15 178.73 3bd0 h THR 257 N 0.42 1.27 -0.36 -0.27 1.35 -1.07 -1.70 112.91 112.56 3bd0 h THR 257 Ca 0.11 -1.31 -0.03 0.00 -0.55 0.00 0.00 66.41 64.63 3bd0 h THR 257 Cb 0.35 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 3bd0 h THR 257 CO 0.01 0.40 0.11 -0.08 -0.25 0.00 0.00 175.52 175.71 3bd0 h GLU 258 N 0.27 0.51 0.00 4.72 4.57 -1.03 -1.75 114.58 121.87 3bd0 h GLU 258 Ca 0.04 -0.07 -0.20 0.00 -1.18 0.00 0.00 59.36 57.95 3bd0 h GLU 258 Cb 0.69 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 3bd0 h GLU 258 CO 0.05 0.45 -0.94 -0.07 -1.18 0.00 0.00 179.01 177.33 3bd0 h LEU 259 N 0.51 0.00 -0.82 1.64 3.38 -1.18 -3.24 115.31 115.59 3bd0 h LEU 259 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3bd0 h LEU 259 Cb 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3bd0 h LEU 259 CO -0.01 0.94 0.41 1.56 0.09 0.00 0.00 178.44 181.42 3bd0 h GLN 260 N 0.00 1.18 0.00 1.13 4.20 -0.66 -2.31 115.11 118.65 3bd0 h GLN 260 Ca -0.01 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3bd0 h GLN 260 Cb 1.70 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.26 3bd0 h GLN 260 CO 0.12 0.90 0.10 0.87 -0.67 0.00 0.00 178.83 180.15 3bd0 h LYS 261 N 1.16 0.00 -0.40 1.46 1.57 -1.37 -2.02 116.57 116.97 3bd0 h LYS 261 Ca 0.28 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.95 3bd0 h LYS 261 Cb 0.10 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.34 3bd0 h LYS 261 CO -0.04 0.00 0.05 0.09 -0.57 0.00 0.00 179.45 178.98 3bd0 n ASN 262 N -2.84 3.61 0.00 0.86 3.02 -0.89 -4.96 115.26 114.06 3bd0 n ASN 262 Ca -0.02 -3.32 0.00 0.00 -0.03 0.00 0.00 54.58 51.21 3bd0 n ASN 262 Cb 0.15 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 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 -0.67 1.13 3.77 7.41 0.00 -0.76 -5.02 105.19 111.05 3bd0 n GLY 263 Ca 0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.18 3.62 -0.27 1.61 -1.94 -1.10 -5.02 119.30 116.02 3bd0 s MET 264 Ca 0.00 1.67 -0.07 0.00 -1.71 0.00 0.00 55.69 55.58 3bd0 s MET 264 Cb 0.00 -2.23 -0.01 0.00 2.01 0.00 0.00 34.83 34.60 3bd0 s MET 264 CO 0.00 -0.64 0.07 -0.80 -0.01 0.00 0.00 175.02 173.64 3bd0 s ASN 265 N -1.57 5.07 0.00 3.03 0.01 -1.26 -4.44 114.94 115.78 3bd0 s ASN 265 Ca 0.67 -0.50 0.01 0.00 -0.71 0.00 0.00 52.86 52.33 3bd0 s ASN 265 Cb -0.26 -1.89 -0.01 0.00 0.41 0.00 0.00 41.25 39.51 3bd0 s ASN 265 CO 0.30 -0.12 -0.03 -0.04 -1.51 0.00 0.00 177.10 175.70 3bd0 s MET 266 N 1.54 0.21 -0.05 -0.60 1.00 -1.26 -0.82 119.30 119.32 3bd0 s MET 266 Ca 0.04 -0.18 0.05 0.00 0.00 0.00 0.00 55.69 55.61 3bd0 s MET 266 Cb -0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 34.83 34.52 3bd0 s MET 266 CO 0.02 0.03 -0.20 -1.54 0.00 0.00 0.00 175.02 173.33 3bd0 s SER 267 N -0.30 2.54 -0.14 3.03 1.04 -0.98 -5.00 113.70 113.89 3bd0 s SER 267 Ca -0.02 -0.42 -0.07 0.00 0.48 0.00 0.00 55.95 55.92 3bd0 s SER 267 Cb -0.02 -0.71 -0.04 0.00 0.10 0.00 0.00 66.02 65.35 3bd0 s SER 267 CO -0.00 0.19 0.10 0.12 0.98 0.00 0.00 173.24 174.63 3bd0 s PHE 268 N -0.04 3.43 -0.00 5.02 5.36 -1.26 -1.12 117.98 129.37 3bd0 s PHE 268 Ca -0.04 0.36 0.00 0.00 -0.96 0.00 0.00 56.93 56.29 3bd0 s PHE 268 Cb -0.12 -1.98 0.00 0.00 -0.34 0.00 0.00 43.02 40.58 3bd0 s PHE 268 CO 0.03 0.51 -0.00 -1.54 -1.46 0.00 0.00 175.22 172.76 3bd0 s SER 269 N -0.51 0.07 0.27 6.13 1.04 -0.69 -4.67 113.70 115.34 3bd0 s SER 269 Ca 0.11 -0.00 -0.30 0.00 0.48 0.00 0.00 55.95 56.24 3bd0 s SER 269 Cb -0.12 -0.02 -0.09 0.00 0.10 0.00 0.00 66.02 65.89 3bd0 s SER 269 CO 0.02 -0.01 1.07 -0.36 0.98 0.00 0.00 173.24 174.94 3bd0 s PHE 270 N 0.15 3.66 -0.18 5.02 0.08 -1.26 -1.43 117.98 124.01 3bd0 s PHE 270 Ca -0.01 1.74 0.08 0.00 0.12 0.00 0.00 56.93 58.85 3bd0 s PHE 270 Cb -0.02 -3.23 -0.10 0.00 -0.57 0.00 0.00 43.02 39.10 3bd0 s PHE 270 CO -0.00 -0.36 0.24 1.28 -0.10 0.00 0.00 175.22 176.28 3bd0 n LEU 271 N 1.29 0.18 -3.57 -0.37 7.99 0.32 -4.93 117.00 117.90 3bd0 n LEU 271 Ca -0.01 -0.25 -0.14 0.00 -0.01 0.00 0.00 56.01 55.60 3bd0 n LEU 271 Cb 0.45 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.70 3bd0 n LEU 271 CO 0.53 0.04 0.60 0.21 -1.51 0.00 0.00 177.39 177.26 3bd0 s ASN 272 N -2.29 -0.54 -0.03 -1.43 2.47 -1.14 -5.00 114.94 106.97 3bd0 s ASN 272 Ca 0.00 0.73 0.01 0.00 0.42 0.00 0.00 52.86 54.02 3bd0 s ASN 272 Cb 0.05 0.64 0.02 0.00 -1.45 0.00 0.00 41.25 40.51 3bd0 s ASN 272 CO 0.31 -0.40 -0.02 -0.47 -3.72 0.00 0.00 177.10 172.80 3bd0 s TYR 273 N -0.74 0.48 0.07 0.43 6.14 -1.26 -1.72 117.35 120.75 3bd0 s TYR 273 Ca -0.04 -0.08 0.00 0.00 0.64 0.00 0.00 57.07 57.59 3bd0 s TYR 273 Cb -0.02 -0.49 -0.04 0.00 0.42 0.00 0.00 41.96 41.83 3bd0 s TYR 273 CO 0.03 -0.14 -0.04 0.00 0.64 0.00 0.00 175.55 176.04 3bd0 s ALA 274 N 0.89 0.72 -0.02 3.97 0.00 0.48 -5.00 121.76 122.80 3bd0 s ALA 274 Ca -0.10 -1.28 0.06 0.00 0.00 0.00 0.00 51.96 50.64 3bd0 s ALA 274 Cb -0.13 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 3bd0 s ALA 274 CO -0.01 -0.32 -0.20 -0.65 0.00 0.00 0.00 175.76 174.58 3bd0 s GLN 275 N -3.89 1.66 0.35 0.00 -0.21 -1.26 -0.50 119.66 115.81 3bd0 s GLN 275 Ca 0.10 -0.71 0.08 0.00 0.02 0.00 0.00 55.36 54.84 3bd0 s GLN 275 Cb 0.07 -1.58 0.78 0.00 1.00 0.00 0.00 33.01 33.27 3bd0 s GLN 275 CO -0.07 0.41 1.90 0.66 -2.12 0.00 0.00 175.29 176.07 3bd0 h SER 276 N 5.70 0.67 -2.31 5.90 4.64 -1.46 -3.45 113.55 123.24 3bd0 h SER 276 Ca -0.38 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 3bd0 h SER 276 Cb 1.14 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 63.13 3bd0 h SER 276 CO 0.48 0.38 0.19 -1.54 -0.87 0.00 0.00 176.83 175.47 3bd0 n SER 277 N -4.53 -1.54 -4.19 4.97 3.41 -1.26 -4.99 113.62 105.49 3bd0 n SER 277 Ca 0.15 -2.06 -0.38 0.00 -0.26 0.00 0.00 58.87 56.33 3bd0 n SER 277 Cb 0.39 2.56 -0.11 0.00 -0.26 0.00 0.00 64.21 66.78 3bd0 n SER 277 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3bd0 s GLN 278 N -2.06 2.33 0.16 4.33 -0.21 -1.26 -4.84 119.66 118.11 3bd0 s GLN 278 Ca 0.11 -1.60 -0.31 0.00 0.02 0.00 0.00 55.36 53.57 3bd0 s GLN 278 Cb -0.03 -3.63 -0.10 0.00 1.00 0.00 0.00 33.01 30.25 3bd0 s GLN 278 CO 0.08 -0.97 1.53 0.00 -2.12 0.00 0.00 175.29 173.81 3bd0 n ARG 280 N 3.88 2.45 -4.70 0.00 1.74 -1.26 -2.05 116.66 116.72 3bd0 n ARG 280 Ca 0.13 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.90 3bd0 n ARG 280 Cb 0.39 -0.90 -0.08 0.00 -1.02 0.00 0.00 32.46 30.85 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 -2.89 3.80 0.44 0.55 0.01 -1.26 -4.67 114.94 110.92 3bd0 s ASN 281 Ca 0.00 -1.66 0.29 0.00 -0.71 0.00 0.00 52.86 50.78 3bd0 s ASN 281 Cb 0.00 0.50 1.09 0.00 0.41 0.00 0.00 41.25 43.26 3bd0 s ASN 281 CO 0.00 -0.87 1.85 -0.50 -1.51 0.00 0.00 177.10 176.07 3bd0 h TRP 282 N 1.46 0.00 -0.00 2.20 4.06 -2.03 -2.39 115.95 119.25 3bd0 h TRP 282 Ca -0.42 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.53 3bd0 h TRP 282 Cb 1.30 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.46 3bd0 h TRP 282 CO 1.51 0.00 -0.25 0.00 -3.56 0.00 0.00 178.44 176.14 3bd0 n GLN 283 N -2.82 0.54 -1.72 0.49 0.00 -1.26 -4.48 117.38 108.14 3bd0 n GLN 283 Ca 0.02 -0.27 -0.31 0.00 0.00 0.00 0.00 57.00 56.44 3bd0 n GLN 283 Cb 0.33 -1.49 0.03 0.00 0.00 0.00 0.00 30.24 29.11 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 -2.64 5.71 -0.14 2.61 1.01 -0.90 -4.98 116.67 117.33 3bd0 s ASP 284 Ca 0.22 1.48 -0.22 0.00 0.71 0.00 0.00 52.55 54.74 3bd0 s ASP 284 Cb 0.19 -2.42 0.06 0.00 1.01 0.00 0.00 42.92 41.75 3bd0 s ASP 284 CO 0.55 -1.21 0.57 -0.94 0.21 0.00 0.00 175.17 174.35 3bd0 s SER 285 N -4.01 -0.56 0.22 0.27 1.04 -1.26 -4.59 113.70 104.81 3bd0 s SER 285 Ca 0.57 0.90 -0.15 0.00 0.48 0.00 0.00 55.95 57.74 3bd0 s SER 285 Cb -0.13 0.89 0.01 0.00 0.10 0.00 0.00 66.02 66.90 3bd0 s SER 285 CO 0.54 -0.35 0.51 -0.94 0.98 0.00 0.00 173.24 173.99 3bd0 s SER 286 N -0.33 -0.17 -0.05 7.02 1.04 -0.82 -4.78 113.70 115.61 3bd0 s SER 286 Ca -0.05 -0.70 0.05 0.00 0.48 0.00 0.00 55.95 55.73 3bd0 s SER 286 Cb -0.03 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 3bd0 s SER 286 CO 0.04 -1.11 -0.22 -0.69 0.98 0.00 0.00 173.24 172.24 3bd0 s VAL 287 N -3.94 1.79 0.10 5.02 1.01 -1.26 -0.65 120.40 122.47 3bd0 s VAL 287 Ca 0.15 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 3bd0 s VAL 287 Cb -0.01 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 3bd0 s VAL 287 CO 0.03 0.50 0.38 -0.44 0.00 0.00 0.00 175.10 175.58 3bd0 s SER 288 N -0.09 6.56 -0.05 3.32 0.01 0.18 -1.11 113.70 122.51 3bd0 s SER 288 Ca -0.03 0.68 0.01 0.00 1.31 0.00 0.00 55.95 57.92 3bd0 s SER 288 Cb -0.13 -2.13 0.02 0.00 0.21 0.00 0.00 66.02 63.99 3bd0 s SER 288 CO 0.03 0.12 -0.05 -0.31 0.41 0.00 0.00 173.24 173.44 3bd0 s TYR 289 N -1.51 0.89 0.02 2.43 2.02 0.35 0.17 117.35 121.71 3bd0 s TYR 289 Ca 0.36 -0.28 0.07 0.00 -0.37 0.00 0.00 57.07 56.85 3bd0 s TYR 289 Cb -0.13 -0.77 -0.02 0.00 -0.40 0.00 0.00 41.96 40.64 3bd0 s TYR 289 CO 0.21 -0.24 -0.20 0.00 -1.57 0.00 0.00 175.55 173.75 3bd0 s ALA 290 N 1.02 1.68 -0.08 3.71 0.00 -1.26 -0.39 121.76 126.44 3bd0 s ALA 290 Ca -0.09 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 50.94 3bd0 s ALA 290 Cb -0.14 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.62 3bd0 s ALA 290 CO -0.00 0.39 -0.19 0.00 0.00 0.00 0.00 175.76 175.96 3bd0 s ALA 291 N -0.67 1.75 0.08 0.00 0.00 -0.70 -4.09 121.76 118.12 3bd0 s ALA 291 Ca 0.07 -0.72 -0.15 0.00 0.00 0.00 0.00 51.96 51.16 3bd0 s ALA 291 Cb -0.08 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.36 3bd0 s ALA 291 CO 0.01 0.21 0.35 0.20 0.00 0.00 0.00 175.76 176.53 3bd0 s GLY 292 N 0.49 -0.19 0.01 0.00 0.00 -0.61 0.12 107.32 107.15 3bd0 s GLY 292 Ca -0.17 0.00 0.06 0.00 0.00 0.00 0.00 44.72 44.61 3bd0 s GLY 292 CO 0.06 -0.24 -0.18 0.00 0.00 0.00 0.00 173.10 172.74 3bd0 s ALA 293 N -3.10 1.54 -0.17 3.20 0.00 -0.51 -0.25 121.76 122.47 3bd0 s ALA 293 Ca -0.01 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 50.99 3bd0 s ALA 293 Cb 0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 3bd0 s ALA 293 CO -0.07 0.36 0.13 -1.17 0.00 0.00 0.00 175.76 175.01 3bd0 s LEU 294 N -0.76 4.26 -0.22 0.00 2.96 0.64 -1.70 118.68 123.87 3bd0 s LEU 294 Ca 0.06 0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 54.23 3bd0 s LEU 294 Cb -0.08 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3bd0 s LEU 294 CO 0.00 0.28 0.05 0.42 -1.32 0.00 0.00 176.35 175.78 3bd0 s THR 295 N -0.22 4.33 -0.10 3.68 -4.23 -0.28 -0.69 115.64 118.13 3bd0 s THR 295 Ca 0.11 -0.18 -0.17 0.00 -1.18 0.00 0.00 61.69 60.27 3bd0 s THR 295 Cb -0.11 -2.99 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 3bd0 s THR 295 CO 0.01 0.40 0.43 -0.69 -0.54 0.00 0.00 174.62 174.22 3bd0 s VAL 296 N 1.08 5.18 0.00 2.29 1.01 -1.26 -2.31 120.40 126.39 3bd0 s VAL 296 Ca 0.04 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3bd0 s VAL 296 Cb -0.14 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3bd0 s VAL 296 CO 0.03 0.39 0.00 1.57 0.00 0.00 0.00 175.10 177.08