#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5y s LYS 2 N 0.00 0.97 -1.00 0.03 1.02 -1.26 -5.05 119.74 114.45 2b5y s LYS 2 Ca 0.00 -0.70 -0.08 0.00 0.02 0.00 0.00 55.97 55.21 2b5y s LYS 2 Cb 0.00 -0.97 -0.12 0.00 -0.52 0.00 0.00 37.83 36.22 2b5y s LYS 2 CO 0.00 0.25 2.81 1.28 -0.92 0.00 0.00 175.35 178.77 2b5y n LEU 3 N 2.08 6.65 0.00 3.17 4.77 -1.26 -1.48 117.00 130.93 2b5y n LEU 3 Ca -0.17 -3.57 0.00 0.00 -0.03 0.00 0.00 56.01 52.24 2b5y n LEU 3 Cb 0.55 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 2b5y n LEU 3 CO 0.23 1.53 0.00 -1.14 -1.33 0.00 0.00 177.39 176.68 2b5y n ARG 4 N 3.46 0.00 -1.18 3.23 3.00 -0.58 -4.73 116.66 119.86 2b5y n ARG 4 Ca 0.59 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 58.14 2b5y n ARG 4 Cb 0.36 0.00 0.15 0.00 0.00 0.00 0.00 32.46 32.97 2b5y n ARG 4 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2b5y s GLN 5 N -0.60 1.01 0.49 -0.14 -2.07 -0.55 -4.42 119.66 113.39 2b5y s GLN 5 Ca 0.00 0.75 -0.20 0.00 -1.82 0.00 0.00 55.36 54.09 2b5y s GLN 5 Cb 0.00 -1.79 -0.08 0.00 -1.09 0.00 0.00 33.01 30.05 2b5y s GLN 5 CO 0.00 -2.39 1.05 -1.25 -1.32 0.00 0.00 175.29 171.38 2b5y s PRO 6 N -4.93 3.74 0.43 9.60 0.04 -1.26 -0.41 135.00 142.21 2b5y s PRO 6 Ca 0.64 1.38 -0.24 0.00 0.04 0.00 0.00 61.00 62.82 2b5y s PRO 6 Cb -0.18 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.18 2b5y s PRO 6 CO 0.57 -0.48 1.14 -0.12 0.04 0.00 0.00 177.00 178.15 2b5y n MET 7 N -1.02 1.61 -0.88 4.56 0.00 -0.38 -4.80 117.12 116.20 2b5y n MET 7 Ca 0.10 0.58 -0.29 0.00 -0.00 0.00 0.00 57.70 58.08 2b5y n MET 7 Cb 0.52 -2.22 0.25 0.00 0.00 0.00 0.00 33.22 31.77 2b5y n MET 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2b5y n PRO 8 N -0.00 -3.41 -2.08 2.12 -0.04 -1.26 -4.99 135.00 125.34 2b5y n PRO 8 Ca 0.08 -1.66 -0.41 0.00 -0.04 0.00 0.00 63.50 61.47 2b5y n PRO 8 Cb 0.40 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.19 2b5y n PRO 8 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2b5y s GLU 9 N -5.36 4.31 -1.30 0.54 2.02 -1.26 -4.93 118.70 112.73 2b5y s GLU 9 Ca 0.69 2.23 -0.07 0.00 0.02 0.00 0.00 54.97 57.83 2b5y s GLU 9 Cb -0.08 -3.12 0.15 0.00 0.10 0.00 0.00 34.13 31.17 2b5y s GLU 9 CO 0.53 -0.34 2.13 1.28 0.02 0.00 0.00 175.26 178.88 2b5y n LEU 10 N 2.18 7.38 -4.73 1.80 4.77 -1.26 -4.72 117.00 122.42 2b5y n LEU 10 Ca 0.06 -4.79 -0.35 0.00 -0.03 0.00 0.00 56.01 50.90 2b5y n LEU 10 Cb 0.41 -1.41 0.08 0.00 -2.33 0.00 0.00 43.42 40.16 2b5y n LEU 10 CO 0.60 1.74 0.81 0.42 -1.33 0.00 0.00 177.39 179.63 2b5y s THR 11 N -0.48 2.41 -0.36 -5.08 -4.23 -1.26 -5.01 115.64 101.64 2b5y s THR 11 Ca 0.47 0.22 0.01 0.00 -1.18 0.00 0.00 61.69 61.20 2b5y s THR 11 Cb 0.14 -2.86 0.28 0.00 1.34 0.00 0.00 72.50 71.40 2b5y s THR 11 CO -0.04 -0.09 1.22 0.61 -0.54 0.00 0.00 174.62 175.77 2b5y n GLY 12 N 0.40 -1.33 0.12 3.99 0.00 -1.26 -4.37 105.19 102.74 2b5y n GLY 12 Ca 0.13 0.80 0.11 0.00 0.00 0.00 0.00 46.02 47.06 2b5y n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2b5y n GLU 13 N 1.26 0.15 0.04 1.61 1.02 -1.19 -2.17 120.64 121.35 2b5y n GLU 13 Ca 0.01 0.48 0.12 0.00 -0.02 0.00 0.00 57.16 57.75 2b5y n GLU 13 Cb 0.71 -1.85 0.30 0.00 -0.02 0.00 0.00 31.44 30.58 2b5y n GLU 13 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2b5y n LYS 14 N -2.14 0.15 0.00 3.49 4.81 -0.30 -4.73 118.16 119.44 2b5y n LYS 14 Ca 0.01 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2b5y n LYS 14 Cb 0.15 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.59 2b5y n LYS 14 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2b5y n ALA 15 N -1.67 0.00 -0.81 3.14 0.00 -0.92 -4.89 120.51 115.37 2b5y n ALA 15 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.18 2b5y n ALA 15 Cb 0.39 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.99 2b5y n ALA 15 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2b5y s TRP 16 N -1.54 1.78 -0.14 0.00 0.52 -1.26 -0.76 118.94 117.54 2b5y s TRP 16 Ca 0.00 1.75 -0.06 0.00 0.02 0.00 0.00 56.10 57.81 2b5y s TRP 16 Cb 0.00 -3.31 0.06 0.00 -1.15 0.00 0.00 33.47 29.07 2b5y s TRP 16 CO 0.00 -2.65 0.31 -1.17 0.02 0.00 0.00 176.95 173.46 2b5y s LEU 17 N -6.45 0.03 0.00 2.99 2.96 -0.05 -4.77 118.68 113.38 2b5y s LEU 17 Ca 0.66 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 55.25 2b5y s LEU 17 Cb -0.22 0.95 0.00 0.00 0.50 0.00 0.00 46.19 47.42 2b5y s LEU 17 CO 0.57 -0.19 0.00 -3.20 -1.32 0.00 0.00 176.35 172.21 2b5y n ASN 18 N 4.58 -4.51 0.00 3.68 5.15 -1.26 -1.36 115.26 121.54 2b5y n ASN 18 Ca -0.19 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 2b5y n ASN 18 Cb 0.53 -2.83 0.00 0.00 -0.53 0.00 0.00 39.78 36.95 2b5y n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2b5y n GLY 19 N 0.69 3.51 2.89 8.20 0.00 -1.26 -4.45 105.19 114.78 2b5y n GLY 19 Ca 0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 2b5y n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2b5y s GLU 20 N -2.24 0.04 0.08 1.61 1.03 -1.26 -2.88 118.70 115.08 2b5y s GLU 20 Ca 0.00 0.12 -0.27 0.00 0.03 0.00 0.00 54.97 54.84 2b5y s GLU 20 Cb 0.00 -0.04 0.09 0.00 -0.80 0.00 0.00 34.13 33.38 2b5y s GLU 20 CO 0.00 -0.05 1.12 0.14 -1.33 0.00 0.00 175.26 175.14 2b5y s VAL 21 N 0.32 0.00 0.29 1.83 -7.23 -1.26 -5.02 120.40 109.33 2b5y s VAL 21 Ca -0.02 -0.45 0.04 0.00 -1.81 0.00 0.00 61.98 59.74 2b5y s VAL 21 Cb -0.04 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 2b5y s VAL 21 CO -0.01 0.00 0.26 0.42 -0.31 0.00 0.00 175.10 175.46 2b5y s THR 22 N -2.77 0.00 0.32 5.32 -4.23 -1.26 -4.97 115.64 108.05 2b5y s THR 22 Ca 0.15 -1.95 0.10 0.00 -1.18 0.00 0.00 61.69 58.80 2b5y s THR 22 Cb 0.01 -2.51 0.32 0.00 1.34 0.00 0.00 72.50 71.66 2b5y s THR 22 CO -0.00 0.00 1.69 -0.09 -0.54 0.00 0.00 174.62 175.67 2b5y h ARG 23 N 2.28 0.39 0.00 3.99 2.43 -1.97 -0.76 114.38 120.75 2b5y h ARG 23 Ca -0.28 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.71 2b5y h ARG 23 Cb 1.24 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 2b5y h ARG 23 CO 0.41 0.26 -0.75 0.93 -1.51 0.00 0.00 179.97 179.32 2b5y h GLU 24 N 0.41 0.00 0.12 0.20 3.07 -1.95 -3.15 114.58 113.27 2b5y h GLU 24 Ca 0.66 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 59.23 2b5y h GLU 24 Cb 1.38 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.32 2b5y h GLU 24 CO -0.56 0.75 -1.23 1.96 -1.40 0.00 0.00 179.01 178.53 2b5y h GLN 25 N 0.00 0.52 0.00 2.33 1.08 -1.52 -3.40 115.11 114.12 2b5y h GLN 25 Ca -0.01 -0.72 0.00 0.00 -1.45 0.00 0.00 58.65 56.47 2b5y h GLN 25 Cb 1.56 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 29.24 2b5y h GLN 25 CO 0.10 1.32 -0.22 1.47 -0.95 0.00 0.00 178.83 180.54 2b5y n LEU 26 N -3.73 0.00 -4.78 1.46 -0.00 -1.08 -4.95 117.00 103.93 2b5y n LEU 26 Ca -0.12 -0.39 -0.37 0.00 -0.00 0.00 0.00 56.01 55.13 2b5y n LEU 26 Cb 0.99 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.37 2b5y n LEU 26 CO 0.57 0.00 0.75 -0.63 -0.00 0.00 0.00 177.39 178.07 2b5y s ILE 27 N -1.23 3.65 0.00 1.47 1.01 -1.19 -4.70 121.20 120.21 2b5y s ILE 27 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 60.65 61.93 2b5y s ILE 27 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2b5y s ILE 27 CO 0.01 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2b5y n GLY 28 N 0.39 0.95 0.00 6.18 0.00 -1.20 -4.96 105.19 106.54 2b5y n GLY 28 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2b5y n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2b5y n GLU 29 N 0.00 1.98 -4.04 1.61 2.13 -1.25 -4.84 120.64 116.24 2b5y n GLU 29 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 2b5y n GLU 29 Cb 0.00 -0.30 -0.06 0.00 0.27 0.00 0.00 31.44 31.34 2b5y n GLU 29 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2b5y s LYS 30 N -0.46 3.22 1.06 5.31 -0.14 -1.26 -4.80 119.74 122.67 2b5y s LYS 30 Ca 0.00 -0.37 -0.12 0.00 -1.36 0.00 0.00 55.97 54.12 2b5y s LYS 30 Cb 0.00 -2.97 0.22 0.00 -1.68 0.00 0.00 37.83 33.40 2b5y s LYS 30 CO 0.00 0.68 1.07 -1.25 -0.76 0.00 0.00 175.35 175.09 2b5y s PRO 31 N -1.59 -0.07 0.03 -1.68 0.04 -1.26 -4.14 135.00 126.33 2b5y s PRO 31 Ca 0.22 0.92 0.04 0.00 0.04 0.00 0.00 61.00 62.22 2b5y s PRO 31 Cb -0.12 -1.65 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 2b5y s PRO 31 CO 0.12 -3.18 -0.12 0.99 0.04 0.00 0.00 177.00 174.86 2b5y s THR 32 N -2.64 0.91 -0.09 1.26 2.01 -0.35 -0.87 115.64 115.87 2b5y s THR 32 Ca 0.67 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.82 2b5y s THR 32 Cb -0.23 -0.83 0.01 0.00 0.01 0.00 0.00 72.50 71.46 2b5y s THR 32 CO 0.61 -0.03 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.17 2b5y s LEU 33 N -1.01 1.62 -0.11 4.42 2.96 -0.14 -0.82 118.68 125.60 2b5y s LEU 33 Ca -0.00 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 2b5y s LEU 33 Cb -0.07 -0.93 0.01 0.00 0.50 0.00 0.00 46.19 45.70 2b5y s LEU 33 CO 0.01 0.01 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.21 2b5y s ILE 34 N 0.88 1.88 0.04 6.68 1.01 -0.31 -2.31 121.20 129.06 2b5y s ILE 34 Ca -0.10 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.71 2b5y s ILE 34 Cb -0.15 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 2b5y s ILE 34 CO 0.01 0.52 -0.15 -1.38 0.00 0.00 0.00 174.94 173.93 2b5y s HIS 35 N 0.65 1.33 -0.05 3.97 -3.43 -1.07 -1.15 115.29 115.54 2b5y s HIS 35 Ca -0.12 -0.35 0.05 0.00 -0.80 0.00 0.00 55.06 53.84 2b5y s HIS 35 Cb -0.16 -0.79 -0.02 0.00 -1.43 0.00 0.00 32.58 30.17 2b5y s HIS 35 CO 0.03 0.04 -0.19 -0.06 -2.00 0.00 0.00 174.74 172.56 2b5y s PHE 36 N -0.81 2.56 0.29 0.38 0.40 0.23 -0.97 117.98 120.06 2b5y s PHE 36 Ca 0.03 -0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 55.92 2b5y s PHE 36 Cb -0.08 -1.61 -0.00 0.00 0.51 0.00 0.00 43.02 41.84 2b5y s PHE 36 CO 0.01 0.02 0.45 1.67 0.70 0.00 0.00 175.22 178.07 2b5y s TRP 37 N -0.51 0.78 -0.07 0.36 1.48 -0.66 -2.70 118.94 117.62 2b5y s TRP 37 Ca 0.07 -1.07 -0.14 0.00 -1.06 0.00 0.00 56.10 53.89 2b5y s TRP 37 Cb -0.11 -0.00 0.03 0.00 -1.16 0.00 0.00 33.47 32.23 2b5y s TRP 37 CO 0.01 -1.04 0.34 0.45 -4.06 0.00 0.00 176.95 172.65 2b5y s SER 38 N -3.14 -0.28 0.00 -2.66 0.15 -1.26 -2.60 113.70 103.91 2b5y s SER 38 Ca 0.28 0.37 0.23 0.00 0.70 0.00 0.00 55.95 57.53 2b5y s SER 38 Cb 0.00 0.50 1.16 0.00 -1.71 0.00 0.00 66.02 65.97 2b5y s SER 38 CO 0.15 -0.32 1.74 2.30 1.20 0.00 0.00 173.24 178.30 2b5y n ILE 39 N 1.93 0.27 -3.06 6.45 -5.35 -1.26 -3.92 119.36 114.42 2b5y n ILE 39 Ca -0.18 0.07 -0.16 0.00 -0.27 0.00 0.00 62.75 62.20 2b5y n ILE 39 Cb 0.57 -0.70 -0.02 0.00 -1.74 0.00 0.00 39.64 37.75 2b5y n ILE 39 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2b5y n SER 40 N -1.26 1.11 -3.54 7.28 7.64 -1.26 -5.05 113.62 118.54 2b5y n SER 40 Ca 0.11 -2.97 -0.20 0.00 1.01 0.00 0.00 58.87 56.82 2b5y n SER 40 Cb 0.17 -0.60 -0.14 0.00 -1.01 0.00 0.00 64.21 62.63 2b5y n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b5y n HIS 42 N 5.31 0.00 0.00 0.00 8.25 -1.26 -1.79 115.22 125.73 2b5y n HIS 42 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2b5y n HIS 42 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 2b5y n HIS 42 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2b5y n LEU 43 N -0.52 0.00 0.27 2.41 -0.00 -1.26 -4.74 117.00 113.16 2b5y n LEU 43 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.15 2b5y n LEU 43 Cb 0.00 0.00 0.84 0.00 -0.00 0.00 0.00 43.42 44.26 2b5y n LEU 43 CO 0.00 0.00 1.12 0.00 -0.00 0.00 0.00 177.39 178.51 2b5y n LYS 45 N -4.01 0.08 -0.07 0.00 -0.00 -1.02 -0.46 118.16 112.68 2b5y n LYS 45 Ca -0.02 0.52 -0.13 0.00 -0.00 0.00 0.00 58.31 58.68 2b5y n LYS 45 Cb 0.12 -1.72 -0.14 0.00 -0.00 0.00 0.00 35.03 33.28 2b5y n LYS 45 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2b5y n GLU 46 N -1.88 0.68 -0.03 -1.58 -0.58 0.34 -4.38 120.64 113.21 2b5y n GLU 46 Ca -0.00 0.14 -0.11 0.00 -0.42 0.00 0.00 57.16 56.78 2b5y n GLU 46 Cb 0.05 -1.62 -0.05 0.00 -0.57 0.00 0.00 31.44 29.26 2b5y n GLU 46 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2b5y h ALA 47 N 0.66 0.19 -0.30 0.62 0.00 -0.88 -2.82 119.26 116.74 2b5y h ALA 47 Ca -0.47 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.45 2b5y h ALA 47 Cb 2.09 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.77 2b5y h ALA 47 CO 0.03 -0.30 0.05 0.52 0.00 0.00 0.00 179.25 179.54 2b5y h MET 48 N 0.17 0.15 -0.13 0.00 2.86 -0.98 0.39 114.93 117.38 2b5y h MET 48 Ca 0.05 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 2b5y h MET 48 Cb 0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2b5y h MET 48 CO -0.01 0.10 -0.16 -1.00 1.06 0.00 0.00 176.91 176.89 2b5y h PRO 49 N 0.15 0.21 0.00 -0.22 0.13 -1.76 -1.95 132.00 128.56 2b5y h PRO 49 Ca 0.14 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.11 2b5y h PRO 49 Cb 0.16 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 2b5y h PRO 49 CO -0.20 0.38 -0.53 0.37 -0.23 0.00 0.00 178.00 177.79 2b5y h GLN 50 N 0.20 0.00 -0.59 0.86 4.15 -0.79 -1.47 115.11 117.47 2b5y h GLN 50 Ca 0.04 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 2b5y h GLN 50 Cb 0.41 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 2b5y h GLN 50 CO 0.03 0.53 0.29 0.28 -1.93 0.00 0.00 178.83 178.02 2b5y h VAL 51 N 0.00 1.21 -0.50 2.39 2.07 0.19 0.16 116.25 121.77 2b5y h VAL 51 Ca -0.01 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.01 2b5y h VAL 51 Cb 1.19 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 2b5y h VAL 51 CO 0.07 0.24 0.16 -1.13 0.02 0.00 0.00 177.57 176.92 2b5y h ASN 52 N 0.80 0.13 -0.42 0.57 -1.24 -1.09 -1.13 115.58 113.20 2b5y h ASN 52 Ca 0.20 0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.29 2b5y h ASN 52 Cb 0.11 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 2b5y h ASN 52 CO -0.03 0.10 0.26 -0.33 -1.29 0.00 0.00 177.43 176.15 2b5y h GLU 53 N 0.32 0.52 -0.07 6.67 5.08 -0.43 -2.85 114.58 123.82 2b5y h GLU 53 Ca 0.24 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2b5y h GLU 53 Cb 0.28 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2b5y h GLU 53 CO -0.27 0.35 0.05 0.74 -1.00 0.00 0.00 179.01 178.87 2b5y h PHE 54 N 0.54 0.10 0.00 4.33 0.04 -0.17 0.17 116.94 121.94 2b5y h PHE 54 Ca 0.16 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.93 2b5y h PHE 54 Cb -0.03 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.08 2b5y h PHE 54 CO -0.06 0.10 -0.02 0.07 -0.60 0.00 0.00 178.31 177.81 2b5y h ARG 55 N 0.07 0.00 0.00 1.51 -0.00 -1.14 -1.59 114.38 113.23 2b5y h ARG 55 Ca 0.03 0.00 -0.45 0.00 -0.00 0.00 0.00 59.98 59.56 2b5y h ARG 55 Cb 0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 29.93 2b5y h ARG 55 CO -0.01 0.02 -2.53 -3.47 -0.00 0.00 0.00 179.97 173.98 2b5y n ASP 56 N -3.19 1.96 -0.18 0.08 2.03 -1.08 -4.15 116.55 112.01 2b5y n ASP 56 Ca -0.02 0.23 -0.09 0.00 0.52 0.00 0.00 54.79 55.44 2b5y n ASP 56 Cb 0.17 -0.72 0.05 0.00 -0.72 0.00 0.00 41.12 39.89 2b5y n ASP 56 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2b5y h LYS 57 N -0.77 1.01 -0.00 -0.67 1.57 -0.61 -3.36 116.57 113.74 2b5y h LYS 57 Ca -0.68 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 57.77 2b5y h LYS 57 Cb 1.68 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.90 2b5y h LYS 57 CO -0.35 1.02 -0.00 0.66 -0.57 0.00 0.00 179.45 180.20 2b5y n TYR 58 N -4.17 0.00 -0.43 -1.35 4.01 -0.61 -4.77 117.16 109.85 2b5y n TYR 58 Ca 0.02 0.00 0.35 0.00 -0.16 0.00 0.00 57.90 58.11 2b5y n TYR 58 Cb 0.37 0.00 0.66 0.00 -0.31 0.00 0.00 39.34 40.05 2b5y n TYR 58 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 2b5y h GLN 59 N 0.06 0.13 -0.00 -0.72 -0.00 -1.70 0.12 115.11 113.00 2b5y h GLN 59 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2b5y h GLN 59 Cb 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.46 2b5y h GLN 59 CO 0.00 0.09 -0.14 -3.47 -0.00 0.00 0.00 178.83 175.30 2b5y n ASP 60 N -4.49 0.18 0.00 0.06 2.03 -1.26 -4.06 116.55 109.01 2b5y n ASP 60 Ca 0.33 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.79 2b5y n ASP 60 Cb 1.34 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 41.49 2b5y n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b5y n GLN 61 N -1.43 1.82 -3.77 -0.67 6.02 0.18 -5.06 117.38 114.47 2b5y n GLN 61 Ca 0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.94 2b5y n GLN 61 Cb 0.33 -0.84 -0.12 0.00 1.02 0.00 0.00 30.24 30.63 2b5y n GLN 61 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2b5y s LEU 62 N -2.14 0.91 0.04 1.08 2.96 0.14 -4.32 118.68 117.35 2b5y s LEU 62 Ca 0.00 0.47 -0.30 0.00 -0.22 0.00 0.00 54.13 54.08 2b5y s LEU 62 Cb 0.00 0.74 -0.04 0.00 0.50 0.00 0.00 46.19 47.39 2b5y s LEU 62 CO 0.00 -0.11 1.02 0.20 -1.32 0.00 0.00 176.35 176.15 2b5y s ASN 63 N 0.50 7.34 -0.14 3.68 0.01 -0.05 -4.17 114.94 122.11 2b5y s ASN 63 Ca -0.03 1.78 0.02 0.00 -0.71 0.00 0.00 52.86 53.91 2b5y s ASN 63 Cb -0.05 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.05 2b5y s ASN 63 CO -0.03 -0.26 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.42 2b5y s VAL 64 N 0.74 1.88 0.00 1.60 1.01 -1.26 -0.96 120.40 123.41 2b5y s VAL 64 Ca 0.52 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 2b5y s VAL 64 Cb -0.23 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.48 2b5y s VAL 64 CO 0.29 0.51 0.29 0.54 0.00 0.00 0.00 175.10 176.74 2b5y s VAL 65 N 0.98 0.07 0.22 2.92 0.11 -0.98 -4.40 120.40 119.32 2b5y s VAL 65 Ca -0.04 -0.56 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 2b5y s VAL 65 Cb -0.15 -0.70 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 2b5y s VAL 65 CO -0.04 -0.31 0.05 0.00 -3.33 0.00 0.00 175.10 171.47 2b5y s ALA 66 N -1.69 1.53 -0.01 1.54 0.00 -0.51 -2.59 121.76 120.03 2b5y s ALA 66 Ca -0.11 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.13 2b5y s ALA 66 Cb -0.04 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.90 2b5y s ALA 66 CO 0.02 -0.40 -0.04 0.08 0.00 0.00 0.00 175.76 175.42 2b5y s VAL 67 N -3.72 0.34 -0.14 0.00 1.01 -0.15 -2.10 120.40 115.64 2b5y s VAL 67 Ca 0.31 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.15 2b5y s VAL 67 Cb 0.07 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 36.15 2b5y s VAL 67 CO 0.09 0.11 -0.19 -2.28 0.00 0.00 0.00 175.10 172.83 2b5y s HIS 68 N 0.07 2.51 -0.17 5.22 2.46 -0.46 -1.65 115.29 123.28 2b5y s HIS 68 Ca -0.00 -1.33 0.01 0.00 0.47 0.00 0.00 55.06 54.21 2b5y s HIS 68 Cb -0.04 -1.74 0.02 0.00 -0.13 0.00 0.00 32.58 30.69 2b5y s HIS 68 CO -0.00 -0.64 -0.16 0.00 -2.47 0.00 0.00 174.74 171.47 2b5y s MET 69 N 1.03 2.50 0.18 2.88 0.23 -1.07 -1.54 119.30 123.50 2b5y s MET 69 Ca -0.03 -0.70 -0.33 0.00 -1.03 0.00 0.00 55.69 53.59 2b5y s MET 69 Cb -0.15 -2.32 -0.15 0.00 -1.53 0.00 0.00 34.83 30.69 2b5y s MET 69 CO -0.05 -0.26 1.39 -2.30 -2.03 0.00 0.00 175.02 171.77 2b5y n PRO 70 N 4.70 1.72 0.06 3.16 -0.02 -1.26 -4.64 135.00 138.72 2b5y n PRO 70 Ca -0.18 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 2b5y n PRO 70 Cb 0.49 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 2b5y n PRO 70 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2b5y n ARG 71 N 2.43 0.54 -3.87 -0.52 1.74 -1.26 -4.80 116.66 110.91 2b5y n ARG 71 Ca 0.15 0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 57.15 2b5y n ARG 71 Cb 0.27 -1.69 -0.05 0.00 -1.02 0.00 0.00 32.46 29.96 2b5y n ARG 71 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2b5y s SER 72 N -4.80 -0.10 0.58 0.55 0.01 -1.26 -5.02 113.70 103.66 2b5y s SER 72 Ca -0.01 -0.71 0.36 0.00 1.31 0.00 0.00 55.95 56.89 2b5y s SER 72 Cb 0.12 0.52 1.76 0.00 0.21 0.00 0.00 66.02 68.63 2b5y s SER 72 CO 0.82 -1.00 2.14 -0.33 0.41 0.00 0.00 173.24 175.29 2b5y h GLU 73 N 2.36 0.00 -0.39 12.44 4.39 -2.00 -1.58 114.58 129.79 2b5y h GLU 73 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2b5y h GLU 73 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2b5y h GLU 73 CO 0.42 0.03 0.00 -3.47 -1.16 0.00 0.00 179.01 174.83 2b5y n ASP 74 N -3.24 2.11 -0.23 1.42 2.03 -1.26 -4.09 116.55 113.29 2b5y n ASP 74 Ca -0.01 -2.00 0.07 0.00 0.52 0.00 0.00 54.79 53.36 2b5y n ASP 74 Cb 0.21 -0.26 0.10 0.00 -0.72 0.00 0.00 41.12 40.44 2b5y n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2b5y n ASP 75 N 0.65 1.57 0.00 1.67 2.03 -0.60 -4.65 116.55 117.23 2b5y n ASP 75 Ca 0.13 -2.75 0.00 0.00 0.52 0.00 0.00 54.79 52.70 2b5y n ASP 75 Cb 0.33 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 2b5y n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b5y n LEU 76 N -0.95 0.93 -4.62 -2.67 -0.00 -1.25 -4.19 117.00 104.25 2b5y n LEU 76 Ca 0.11 -0.93 -0.43 0.00 -0.00 0.00 0.00 56.01 54.76 2b5y n LEU 76 Cb 0.67 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.05 2b5y n LEU 76 CO 0.01 0.23 1.75 -0.67 -0.00 0.00 0.00 177.39 178.71 2b5y n ASP 77 N -0.15 3.57 -0.33 1.45 -0.08 -1.26 -4.88 116.55 114.87 2b5y n ASP 77 Ca 0.00 0.50 0.14 0.00 -1.51 0.00 0.00 54.79 53.92 2b5y n ASP 77 Cb 0.22 -1.53 0.37 0.00 2.34 0.00 0.00 41.12 42.51 2b5y n ASP 77 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2b5y h PRO 78 N 13.13 0.67 -0.16 -0.67 0.11 -2.00 -1.01 132.00 142.07 2b5y h PRO 78 Ca -0.44 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 2b5y h PRO 78 Cb 1.24 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2b5y h PRO 78 CO 0.95 0.44 -0.19 0.78 -0.21 0.00 0.00 178.00 179.77 2b5y h GLY 79 N 0.69 0.44 1.72 -0.55 0.00 -2.00 -2.84 103.07 100.54 2b5y h GLY 79 Ca 0.55 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 47.29 2b5y h GLY 79 CO -0.33 0.43 -0.47 1.70 0.00 0.00 0.00 176.54 177.87 2b5y h LYS 80 N 0.03 0.30 0.32 4.80 3.64 -1.71 0.16 116.57 124.11 2b5y h LYS 80 Ca 0.02 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2b5y h LYS 80 Cb 0.74 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2b5y h LYS 80 CO 0.05 0.71 -0.18 0.82 -2.27 0.00 0.00 179.45 178.58 2b5y h ILE 81 N 0.25 0.63 -0.03 2.00 2.04 -1.23 -0.36 117.51 120.80 2b5y h ILE 81 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.89 2b5y h ILE 81 Cb 0.92 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2b5y h ILE 81 CO 0.08 0.00 -0.06 0.50 0.00 0.00 0.00 178.15 178.67 2b5y h LYS 82 N -0.47 -0.08 -0.38 2.37 1.63 -1.31 -2.32 116.57 116.02 2b5y h LYS 82 Ca -0.04 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2b5y h LYS 82 Cb 0.38 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 2b5y h LYS 82 CO 0.05 -0.05 0.15 0.93 -3.45 0.00 0.00 179.45 177.07 2b5y h GLU 83 N -0.08 0.57 -0.19 1.90 4.39 -0.42 -1.37 114.58 119.37 2b5y h GLU 83 Ca 0.03 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 2b5y h GLU 83 Cb 0.13 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2b5y h GLU 83 CO -0.08 0.54 -0.12 1.15 -1.16 0.00 0.00 179.01 179.34 2b5y h THR 84 N 0.47 1.19 -0.43 1.13 2.02 -1.07 0.23 112.91 116.45 2b5y h THR 84 Ca 0.13 -0.84 -0.04 0.00 0.77 0.00 0.00 66.41 66.42 2b5y h THR 84 Cb 0.19 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 2b5y h THR 84 CO -0.01 0.27 0.08 0.00 0.37 0.00 0.00 175.52 176.23 2b5y h ALA 85 N 1.59 1.34 -0.14 6.16 0.00 -0.74 -1.65 119.26 125.82 2b5y h ALA 85 Ca 0.06 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 2b5y h ALA 85 Cb 0.40 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2b5y h ALA 85 CO 0.02 0.47 -0.69 0.00 0.00 0.00 0.00 179.25 179.05 2b5y h ALA 86 N 1.46 0.27 -0.02 0.00 0.00 -0.23 0.19 119.26 120.93 2b5y h ALA 86 Ca 0.14 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 2b5y h ALA 86 Cb 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2b5y h ALA 86 CO 0.00 0.59 -0.28 0.93 0.00 0.00 0.00 179.25 180.49 2b5y h GLU 87 N 0.41 0.03 -0.38 0.00 5.08 -0.61 -2.46 114.58 116.65 2b5y h GLU 87 Ca -0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2b5y h GLU 87 Cb 1.33 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2b5y h GLU 87 CO 0.14 0.31 0.00 0.72 -1.00 0.00 0.00 179.01 179.18 2b5y n HIS 88 N -4.20 0.50 -3.76 4.33 8.25 -0.66 -5.00 115.22 114.70 2b5y n HIS 88 Ca -0.02 -0.36 -0.25 0.00 -0.26 0.00 0.00 57.72 56.83 2b5y n HIS 88 Cb 0.34 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.47 2b5y n HIS 88 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2b5y n ASP 89 N 0.99 -3.22 -4.26 0.41 2.03 -0.68 -4.68 116.55 107.13 2b5y n ASP 89 Ca 0.15 -0.76 -0.43 0.00 0.52 0.00 0.00 54.79 54.27 2b5y n ASP 89 Cb 0.49 -4.17 0.00 0.00 -0.72 0.00 0.00 41.12 36.72 2b5y n ASP 89 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2b5y n ILE 90 N -4.51 4.02 0.68 5.18 5.41 -0.03 -4.73 119.36 125.38 2b5y n ILE 90 Ca -0.13 -4.15 0.12 0.00 1.00 0.00 0.00 62.75 59.59 2b5y n ILE 90 Cb 0.60 -2.43 0.19 0.00 -0.71 0.00 0.00 39.64 37.29 2b5y n ILE 90 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2b5y n THR 91 N 5.06 0.25 -1.12 1.39 -2.24 -1.26 -4.89 114.28 111.46 2b5y n THR 91 Ca 0.44 -0.20 -0.31 0.00 -2.27 0.00 0.00 64.05 61.71 2b5y n THR 91 Cb 0.42 -0.02 0.11 0.00 -2.10 0.00 0.00 70.33 68.74 2b5y n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b5y s GLN 92 N -3.13 1.95 0.13 -0.78 0.00 -1.26 -4.76 119.66 111.81 2b5y s GLN 92 Ca 0.07 1.27 -0.35 0.00 -0.00 0.00 0.00 55.36 56.35 2b5y s GLN 92 Cb 0.15 -1.85 -0.16 0.00 0.00 0.00 0.00 33.01 31.14 2b5y s GLN 92 CO 0.72 -1.89 1.27 -2.30 0.00 0.00 0.00 175.29 173.09 2b5y n PRO 93 N -3.69 1.22 -4.24 9.60 -0.02 -1.26 -4.53 135.00 132.08 2b5y n PRO 93 Ca 0.10 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 61.87 2b5y n PRO 93 Cb 0.53 -2.02 -0.10 0.00 -0.02 0.00 0.00 33.50 31.88 2b5y n PRO 93 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2b5y s ILE 94 N 0.18 1.13 0.03 4.25 1.09 -0.46 -1.43 121.20 126.00 2b5y s ILE 94 Ca 0.79 -1.96 -0.01 0.00 -1.10 0.00 0.00 60.65 58.36 2b5y s ILE 94 Cb -0.89 -1.74 -0.02 0.00 -1.06 0.00 0.00 42.46 38.75 2b5y s ILE 94 CO 0.49 -0.69 -0.00 0.72 -0.10 0.00 0.00 174.94 175.35 2b5y s PHE 95 N -3.09 0.29 -0.02 3.97 -0.12 -0.89 -0.88 117.98 117.23 2b5y s PHE 95 Ca 0.14 -0.60 0.07 0.00 -0.05 0.00 0.00 56.93 56.50 2b5y s PHE 95 Cb 0.01 -0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.17 2b5y s PHE 95 CO 0.01 -0.25 -0.25 0.08 -0.05 0.00 0.00 175.22 174.75 2b5y s VAL 96 N -2.06 1.96 0.17 -2.49 1.01 0.06 -1.36 120.40 117.69 2b5y s VAL 96 Ca -0.10 -1.06 0.07 0.00 0.00 0.00 0.00 61.98 60.89 2b5y s VAL 96 Cb -0.05 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2b5y s VAL 96 CO -0.03 0.55 0.02 -0.62 0.00 0.00 0.00 175.10 175.03 2b5y s ASP 97 N -0.52 4.91 0.40 3.32 2.15 -0.59 -1.15 116.67 125.19 2b5y s ASP 97 Ca 0.08 -0.34 0.06 0.00 0.43 0.00 0.00 52.55 52.78 2b5y s ASP 97 Cb -0.10 -1.10 0.81 0.00 -0.30 0.00 0.00 42.92 42.23 2b5y s ASP 97 CO -0.00 0.09 2.05 0.28 -0.17 0.00 0.00 175.17 177.41 2b5y h SER 98 N 2.70 0.52 0.00 -0.34 0.02 -1.89 -3.39 113.55 111.17 2b5y h SER 98 Ca -0.47 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2b5y h SER 98 Cb 1.20 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2b5y h SER 98 CO 0.59 0.38 0.00 -0.67 -1.14 0.00 0.00 176.83 175.99 2b5y n ASP 99 N -4.46 0.00 0.08 3.07 2.03 -1.26 -4.67 116.55 111.33 2b5y n ASP 99 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2b5y n ASP 99 Cb 0.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 2b5y n ASP 99 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b5y n HIS 100 N -0.52 -2.86 0.00 -0.67 1.44 -1.26 -4.56 115.22 106.79 2b5y n HIS 100 Ca 0.00 0.52 0.00 0.00 -2.01 0.00 0.00 57.72 56.23 2b5y n HIS 100 Cb 0.00 1.57 0.00 0.00 0.12 0.00 0.00 29.99 31.68 2b5y n HIS 100 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2b5y n ALA 101 N -2.86 0.00 -0.27 1.59 0.00 -1.26 -0.83 120.51 116.89 2b5y n ALA 101 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2b5y n ALA 101 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 2b5y n ALA 101 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2b5y h LEU 102 N 0.00 -0.13 -0.85 0.00 6.46 -1.85 1.00 115.31 119.94 2b5y h LEU 102 Ca 0.00 0.18 0.12 0.00 -0.12 0.00 0.00 57.88 58.06 2b5y h LEU 102 Cb 0.00 0.27 -0.08 0.00 -0.73 0.00 0.00 40.66 40.12 2b5y h LEU 102 CO 0.00 -0.13 0.48 0.74 -0.62 0.00 0.00 178.44 178.91 2b5y h THR 103 N 0.19 0.83 0.00 1.05 2.02 -1.35 -0.81 112.91 114.84 2b5y h THR 103 Ca 0.45 -0.25 -0.14 0.00 0.77 0.00 0.00 66.41 67.24 2b5y h THR 103 Cb 0.83 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2b5y h THR 103 CO -0.61 0.14 -0.68 -0.78 0.37 0.00 0.00 175.52 173.96 2b5y h ASP 104 N 0.74 0.00 0.83 4.18 3.58 -1.03 -0.34 116.42 124.38 2b5y h ASP 104 Ca 0.44 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.78 2b5y h ASP 104 Cb 0.51 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 2b5y h ASP 104 CO -0.30 0.68 -0.51 0.00 -2.88 0.00 0.00 179.24 176.23 2b5y h ALA 105 N 1.32 0.92 0.00 -0.78 0.00 0.27 -3.17 119.26 117.82 2b5y h ALA 105 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2b5y h ALA 105 Cb 1.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2b5y h ALA 105 CO 0.09 0.63 -0.09 1.97 0.00 0.00 0.00 179.25 181.86 2b5y n PHE 106 N -3.59 0.00 -4.19 0.00 -1.74 -0.75 -4.98 117.46 102.22 2b5y n PHE 106 Ca -0.00 -0.65 -0.31 0.00 -0.56 0.00 0.00 57.45 55.93 2b5y n PHE 106 Cb 0.59 -0.10 -0.07 0.00 1.52 0.00 0.00 39.48 41.42 2b5y n PHE 106 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 2b5y n GLU 107 N -0.88 -1.54 -1.87 3.97 1.02 -0.41 -4.64 120.64 116.28 2b5y n GLU 107 Ca 0.09 0.18 -0.40 0.00 -0.02 0.00 0.00 57.16 57.01 2b5y n GLU 107 Cb 0.56 -3.77 -0.03 0.00 -0.02 0.00 0.00 31.44 28.18 2b5y n GLU 107 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2b5y s ASN 108 N -4.30 5.29 -0.00 1.62 2.47 -0.27 -4.85 114.94 114.89 2b5y s ASN 108 Ca 0.05 0.97 0.01 0.00 0.42 0.00 0.00 52.86 54.31 2b5y s ASN 108 Cb -0.02 -2.52 0.04 0.00 -1.45 0.00 0.00 41.25 37.30 2b5y s ASN 108 CO 0.96 -2.24 0.88 -0.62 -3.72 0.00 0.00 177.10 172.37 2b5y n GLU 109 N 8.86 1.14 -2.31 0.43 1.02 -1.26 -4.85 120.64 123.67 2b5y n GLU 109 Ca 0.26 -0.17 -0.03 0.00 -0.02 0.00 0.00 57.16 57.20 2b5y n GLU 109 Cb 0.50 -1.20 -0.01 0.00 -0.02 0.00 0.00 31.44 30.71 2b5y n GLU 109 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2b5y n TYR 110 N -0.24 -0.07 0.04 -0.32 4.01 -1.26 -5.13 117.16 114.19 2b5y n TYR 110 Ca 0.02 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 2b5y n TYR 110 Cb 0.12 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 2b5y n TYR 110 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2b5y n VAL 111 N -0.10 0.39 -2.05 -0.72 0.31 -1.26 -4.89 118.33 110.01 2b5y n VAL 111 Ca 0.00 0.13 -0.27 0.00 -0.01 0.00 0.00 64.34 64.19 2b5y n VAL 111 Cb 0.08 -1.21 -0.06 0.00 -0.91 0.00 0.00 33.84 31.74 2b5y n VAL 111 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2b5y s PRO 112 N -2.00 2.46 0.05 5.55 0.04 -1.25 -3.71 135.00 136.14 2b5y s PRO 112 Ca 0.00 -0.97 0.02 0.00 0.04 0.00 0.00 61.00 60.10 2b5y s PRO 112 Cb 0.00 -5.20 -0.03 0.00 0.04 0.00 0.00 34.50 29.32 2b5y s PRO 112 CO 0.00 -3.92 -0.08 0.00 0.04 0.00 0.00 177.00 173.04 2b5y s ALA 113 N 11.06 0.65 -0.11 8.56 0.00 -1.10 -1.07 121.76 139.76 2b5y s ALA 113 Ca 0.69 -0.83 -0.13 0.00 0.00 0.00 0.00 51.96 51.69 2b5y s ALA 113 Cb -0.02 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.17 2b5y s ALA 113 CO 0.11 -0.02 0.35 1.52 0.00 0.00 0.00 175.76 177.72 2b5y s TYR 114 N -1.53 -0.35 -0.03 0.00 1.13 -0.44 -0.60 117.35 115.54 2b5y s TYR 114 Ca -0.08 0.82 -0.00 0.00 -1.41 0.00 0.00 57.07 56.40 2b5y s TYR 114 Cb -0.09 0.13 0.03 0.00 -1.10 0.00 0.00 41.96 40.93 2b5y s TYR 114 CO 0.00 -0.23 0.03 0.71 -2.51 0.00 0.00 175.55 173.55 2b5y s TYR 115 N -0.14 0.08 -0.08 -3.49 1.51 -0.30 -1.57 117.35 113.37 2b5y s TYR 115 Ca -0.03 0.13 0.04 0.00 -1.01 0.00 0.00 57.07 56.20 2b5y s TYR 115 Cb -0.03 -0.31 0.00 0.00 -0.11 0.00 0.00 41.96 41.51 2b5y s TYR 115 CO 0.01 -0.11 -0.21 0.08 -1.11 0.00 0.00 175.55 174.21 2b5y s VAL 116 N 1.26 1.77 0.01 0.71 1.01 0.30 -1.16 120.40 124.30 2b5y s VAL 116 Ca -0.07 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.08 2b5y s VAL 116 Cb -0.13 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 2b5y s VAL 116 CO -0.03 0.50 -0.11 -0.36 0.00 0.00 0.00 175.10 175.10 2b5y s PHE 117 N 0.28 0.99 1.10 5.22 0.40 -0.00 -0.48 117.98 125.49 2b5y s PHE 117 Ca -0.13 -0.27 -0.14 0.00 -0.60 0.00 0.00 56.93 55.80 2b5y s PHE 117 Cb -0.16 -0.61 0.24 0.00 0.51 0.00 0.00 43.02 43.00 2b5y s PHE 117 CO 0.06 -0.00 1.06 0.34 0.70 0.00 0.00 175.22 177.38 2b5y s ASP 118 N -0.69 1.65 0.00 1.36 2.15 -0.82 -1.21 116.67 119.11 2b5y s ASP 118 Ca 0.02 1.21 0.00 0.00 0.43 0.00 0.00 52.55 54.20 2b5y s ASP 118 Cb -0.06 -1.87 0.00 0.00 -0.30 0.00 0.00 42.92 40.69 2b5y s ASP 118 CO 0.00 -3.74 0.14 2.29 -0.17 0.00 0.00 175.17 173.70 2b5y n LYS 119 N -4.58 0.17 0.00 4.34 2.85 -1.26 -1.13 118.16 118.55 2b5y n LYS 119 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 2b5y n LYS 119 Cb 0.57 -1.02 0.00 0.00 -0.65 0.00 0.00 35.03 33.93 2b5y n LYS 119 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2b5y n THR 120 N -0.27 0.16 -1.57 0.58 5.66 -1.26 -3.25 114.28 114.34 2b5y n THR 120 Ca 0.00 -0.38 -0.05 0.00 -3.05 0.00 0.00 64.05 60.57 2b5y n THR 120 Cb 0.01 1.21 -0.01 0.00 -1.55 0.00 0.00 70.33 69.99 2b5y n THR 120 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2b5y n GLY 121 N -0.08 0.49 3.80 1.09 0.00 -0.28 -4.99 105.19 105.21 2b5y n GLY 121 Ca 0.00 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 2b5y n GLY 121 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2b5y s GLN 122 N -3.24 3.89 0.14 1.61 1.03 -1.26 -1.25 119.66 120.58 2b5y s GLN 122 Ca 0.00 -0.04 -0.31 0.00 0.04 0.00 0.00 55.36 55.04 2b5y s GLN 122 Cb 0.00 -3.31 -0.10 0.00 0.03 0.00 0.00 33.01 29.63 2b5y s GLN 122 CO 0.00 0.51 1.62 -1.17 -2.54 0.00 0.00 175.29 173.71 2b5y s LEU 123 N -0.30 4.37 -0.02 2.60 2.96 0.45 -1.94 118.68 126.80 2b5y s LEU 123 Ca 0.14 2.61 0.01 0.00 -0.22 0.00 0.00 54.13 56.67 2b5y s LEU 123 Cb -0.12 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 2b5y s LEU 123 CO 0.03 -0.86 0.00 -1.14 -1.32 0.00 0.00 176.35 173.06 2b5y n ARG 124 N 4.53 2.86 -3.58 1.98 3.00 0.37 -1.52 116.66 124.30 2b5y n ARG 124 Ca 0.15 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.84 2b5y n ARG 124 Cb 0.39 -1.05 -0.06 0.00 0.00 0.00 0.00 32.46 31.73 2b5y n ARG 124 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2b5y s HIS 125 N -2.05 -0.51 -0.09 -0.14 2.46 -0.75 -4.92 115.29 109.29 2b5y s HIS 125 Ca -0.02 0.80 -0.18 0.00 0.47 0.00 0.00 55.06 56.13 2b5y s HIS 125 Cb 0.01 0.33 0.04 0.00 -0.13 0.00 0.00 32.58 32.83 2b5y s HIS 125 CO 0.08 -0.57 0.43 0.12 -2.47 0.00 0.00 174.74 172.33 2b5y s PHE 126 N -1.51 -0.40 0.34 3.88 5.36 -1.26 -0.54 117.98 123.85 2b5y s PHE 126 Ca -0.10 0.82 -0.13 0.00 -0.96 0.00 0.00 56.93 56.56 2b5y s PHE 126 Cb -0.01 0.18 0.03 0.00 -0.34 0.00 0.00 43.02 42.88 2b5y s PHE 126 CO 0.06 -0.36 0.67 -0.65 -1.46 0.00 0.00 175.22 173.47 2b5y s GLN 127 N -0.63 2.01 0.17 10.12 -1.52 -0.61 -5.02 119.66 124.18 2b5y s GLN 127 Ca -0.07 -1.43 -0.23 0.00 -1.95 0.00 0.00 55.36 51.67 2b5y s GLN 127 Cb -0.03 0.56 0.06 0.00 -0.22 0.00 0.00 33.01 33.38 2b5y s GLN 127 CO 0.04 -0.90 0.67 0.00 -0.25 0.00 0.00 175.29 174.84 2b5y s ALA 128 N -2.93 -1.54 -1.46 6.09 0.00 -1.26 -1.33 121.76 119.32 2b5y s ALA 128 Ca 0.19 0.36 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 2b5y s ALA 128 Cb -0.04 0.83 0.02 0.00 0.00 0.00 0.00 23.12 23.93 2b5y s ALA 128 CO 0.13 -0.83 0.47 0.41 0.00 0.00 0.00 175.76 175.94 2b5y n GLY 129 N -0.39 -0.51 3.92 0.00 0.00 -0.23 -5.00 105.19 102.98 2b5y n GLY 129 Ca -0.13 0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 2b5y n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b5y s GLY 130 N -2.60 1.65 -0.56 -0.02 0.00 -1.26 -4.95 107.32 99.58 2b5y s GLY 130 Ca 0.28 -0.79 -0.27 0.00 0.00 0.00 0.00 44.72 43.94 2b5y s GLY 130 CO 0.35 -0.38 2.46 1.44 0.00 0.00 0.00 173.10 176.96 2b5y n SER 131 N -2.99 2.05 -1.84 1.64 7.64 -1.26 -1.10 113.62 117.76 2b5y n SER 131 Ca 0.08 -0.42 -0.09 0.00 1.01 0.00 0.00 58.87 59.44 2b5y n SER 131 Cb 0.60 -1.50 -0.02 0.00 -1.01 0.00 0.00 64.21 62.28 2b5y n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b5y n GLY 132 N 6.08 0.21 2.29 0.23 0.00 -1.26 -1.50 105.19 111.23 2b5y n GLY 132 Ca 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.43 2b5y n GLY 132 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2b5y n MET 133 N -2.14 -2.70 -0.12 1.61 3.85 -0.26 -4.57 117.12 112.80 2b5y n MET 133 Ca -0.10 0.02 -0.00 0.00 -1.00 0.00 0.00 57.70 56.61 2b5y n MET 133 Cb 0.43 -4.45 0.26 0.00 -1.05 0.00 0.00 33.22 28.42 2b5y n MET 133 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2b5y h LYS 134 N 0.00 0.79 -0.01 3.17 1.63 -1.55 -1.29 116.57 119.31 2b5y h LYS 134 Ca -0.01 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 2b5y h LYS 134 Cb 0.86 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2b5y h LYS 134 CO 0.01 0.62 0.17 0.00 -3.45 0.00 0.00 179.45 176.80 2b5y h MET 135 N 0.79 0.00 -0.69 1.90 -0.00 -1.89 -2.15 114.93 112.89 2b5y h MET 135 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.88 2b5y h MET 135 Cb 0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.67 2b5y h MET 135 CO -0.02 0.00 0.35 1.25 -0.00 0.00 0.00 176.91 178.49 2b5y h LEU 136 N 0.00 0.87 -1.18 -0.10 5.85 -1.62 -1.45 115.31 117.69 2b5y h LEU 136 Ca 0.01 -0.08 0.15 0.00 0.84 0.00 0.00 57.88 58.79 2b5y h LEU 136 Cb 0.35 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.08 2b5y h LEU 136 CO -0.00 0.72 0.60 -0.08 -0.34 0.00 0.00 178.44 179.34 2b5y h GLU 137 N 0.97 0.75 -0.10 1.25 4.81 -1.56 -0.66 114.58 120.04 2b5y h GLU 137 Ca 0.24 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.24 2b5y h GLU 137 Cb 0.07 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.29 2b5y h GLU 137 CO -0.04 0.50 -0.66 0.87 -0.73 0.00 0.00 179.01 178.95 2b5y h LYS 138 N 0.77 0.63 -0.68 1.92 1.57 -1.44 -0.42 116.57 118.93 2b5y h LYS 138 Ca 0.48 -0.54 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2b5y h LYS 138 Cb 0.71 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 2b5y h LYS 138 CO -0.25 1.16 0.13 0.00 -0.57 0.00 0.00 179.45 179.92 2b5y h ARG 139 N 0.28 1.11 0.05 3.15 2.47 -0.85 0.96 114.38 121.54 2b5y h ARG 139 Ca -0.05 -0.29 -0.00 0.00 -1.26 0.00 0.00 59.98 58.38 2b5y h ARG 139 Cb 1.31 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 2b5y h ARG 139 CO 0.14 1.00 -0.02 0.28 0.56 0.00 0.00 179.97 181.92 2b5y h VAL 140 N 1.03 1.03 0.00 2.04 2.07 -1.20 -2.42 116.25 118.80 2b5y h VAL 140 Ca 0.21 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 2b5y h VAL 140 Cb 0.42 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2b5y h VAL 140 CO 0.01 0.06 -0.25 0.78 0.02 0.00 0.00 177.57 178.18 2b5y h ASN 141 N -0.16 0.00 -0.48 0.57 2.35 -0.38 -0.80 115.58 116.67 2b5y h ASN 141 Ca -0.01 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 2b5y h ASN 141 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2b5y h ASN 141 CO 0.01 0.25 -0.18 0.03 -1.65 0.00 0.00 177.43 175.89 2b5y h ARG 142 N 0.00 0.98 -0.80 0.81 -0.00 -0.62 0.21 114.38 114.95 2b5y h ARG 142 Ca -0.00 -0.41 -0.01 0.00 -0.50 0.00 0.00 59.98 59.06 2b5y h ARG 142 Cb 0.45 -0.04 -0.04 0.00 0.00 0.00 0.00 29.97 30.35 2b5y h ARG 142 CO 0.03 1.08 0.46 0.28 0.00 0.00 0.00 179.97 181.82 2b5y h VAL 143 N 0.83 1.23 -0.27 2.04 2.07 -0.80 -0.20 116.25 121.14 2b5y h VAL 143 Ca 0.11 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 2b5y h VAL 143 Cb 0.76 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2b5y h VAL 143 CO 0.06 0.25 0.06 -0.07 0.02 0.00 0.00 177.57 177.90 2b5y h LEU 144 N 1.12 0.42 -1.04 2.57 3.38 -0.63 -1.07 115.31 120.06 2b5y h LEU 144 Ca 0.29 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2b5y h LEU 144 Cb -0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2b5y h LEU 144 CO -0.05 0.55 0.10 0.00 0.09 0.00 0.00 178.44 179.12 2b5y h ALA 145 N 0.89 1.22 -0.29 1.53 0.00 -0.24 -0.65 119.26 121.72 2b5y h ALA 145 Ca 0.09 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 2b5y h ALA 145 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2b5y h ALA 145 CO 0.00 0.53 -0.44 0.93 0.00 0.00 0.00 179.25 180.27 2b5y h GLU 146 N 0.75 0.74 0.16 0.00 4.39 -0.95 -3.36 114.58 116.31 2b5y h GLU 146 Ca 0.16 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 2b5y h GLU 146 Cb 0.32 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2b5y h GLU 146 CO 0.00 1.03 -0.08 1.15 -1.16 0.00 0.00 179.01 179.95 2b5y h THR 147 N 0.60 0.73 -0.03 1.13 2.02 -0.30 -3.51 112.91 113.55 2b5y h THR 147 Ca 0.04 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.07 2b5y h THR 147 Cb 1.00 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 2b5y h THR 147 CO 0.09 0.20 0.00 -0.62 0.37 0.00 0.00 175.52 175.56