#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 4.07 -0.85 0.03 1.02 -1.26 -4.91 119.74 117.84 2b5y s LYS 2 Ca 0.00 1.88 -0.06 0.00 0.02 0.00 0.00 55.97 57.80 2b5y s LYS 2 Cb 0.00 -2.71 -0.10 0.00 -0.52 0.00 0.00 37.83 34.51 2b5y s LYS 2 CO 0.00 -0.32 2.48 1.28 -0.92 0.00 0.00 175.35 177.87 2b5y n LEU 3 N 0.13 5.57 0.00 3.17 4.77 -1.26 -2.28 117.00 127.09 2b5y n LEU 3 Ca 0.04 -3.13 0.00 0.00 -0.03 0.00 0.00 56.01 52.89 2b5y n LEU 3 Cb 0.46 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 2b5y n LEU 3 CO 0.51 1.10 0.00 0.54 -1.33 0.00 0.00 177.39 178.21 2b5y n ARG 4 N 3.64 0.00 -1.61 3.23 5.12 -1.06 -4.75 116.66 121.23 2b5y n ARG 4 Ca 0.49 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.98 2b5y n ARG 4 Cb 0.29 -0.09 -0.00 0.00 -1.16 0.00 0.00 32.46 31.50 2b5y n ARG 4 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2b5y n GLN 5 N -1.22 1.42 -1.29 5.56 6.02 -0.97 -3.69 117.38 123.21 2b5y n GLN 5 Ca 0.00 0.50 -0.27 0.00 -0.01 0.00 0.00 57.00 57.22 2b5y n GLN 5 Cb 0.00 -1.97 -0.08 0.00 1.02 0.00 0.00 30.24 29.20 2b5y n GLN 5 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2b5y n PRO 6 N 0.46 3.00 -1.47 -1.09 -0.04 -1.26 -1.46 135.00 133.15 2b5y n PRO 6 Ca 0.09 -1.90 0.18 0.00 -0.04 0.00 0.00 63.50 61.83 2b5y n PRO 6 Cb 0.36 -2.39 -0.09 0.00 -0.04 0.00 0.00 33.50 31.34 2b5y n PRO 6 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2b5y n MET 7 N 2.62 -3.32 0.00 0.54 2.81 -1.26 -4.97 117.12 113.54 2b5y n MET 7 Ca 0.60 2.63 0.00 0.00 -1.81 0.00 0.00 57.70 59.12 2b5y n MET 7 Cb 0.54 -3.90 0.00 0.00 -0.71 0.00 0.00 33.22 29.14 2b5y n MET 7 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2b5y n PRO 8 N -4.37 0.73 0.00 0.03 -0.04 -1.26 -4.95 135.00 125.15 2b5y n PRO 8 Ca -0.08 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.48 2b5y n PRO 8 Cb 0.69 0.00 0.42 0.00 -0.04 0.00 0.00 33.50 34.57 2b5y n PRO 8 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2b5y n GLU 9 N -0.25 0.02 -4.13 0.54 -0.58 -1.26 -4.89 120.64 110.09 2b5y n GLU 9 Ca 0.00 0.16 -0.30 0.00 -0.42 0.00 0.00 57.16 56.60 2b5y n GLU 9 Cb 0.00 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.33 2b5y n GLU 9 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2b5y n LEU 10 N -1.48 -1.76 -4.73 -4.62 4.77 -1.26 -4.96 117.00 102.96 2b5y n LEU 10 Ca 0.05 -1.08 -0.33 0.00 -0.03 0.00 0.00 56.01 54.62 2b5y n LEU 10 Cb 0.22 -2.02 0.10 0.00 -2.33 0.00 0.00 43.42 39.39 2b5y n LEU 10 CO 0.18 0.39 0.74 0.28 -1.33 0.00 0.00 177.39 177.65 2b5y s THR 11 N -3.86 2.57 0.00 -5.08 -1.32 -1.26 -4.98 115.64 101.71 2b5y s THR 11 Ca 0.22 0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.94 2b5y s THR 11 Cb -0.12 -2.64 0.00 0.00 -1.51 0.00 0.00 72.50 68.22 2b5y s THR 11 CO 0.93 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 173.76 2b5y n GLY 12 N -0.08 -0.57 0.13 6.08 0.00 -1.26 -4.45 105.19 105.04 2b5y n GLY 12 Ca 0.12 0.29 0.10 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 0.14 0.23 1.61 1.02 -1.24 -1.28 120.64 121.12 2b5y n GLU 13 Ca 0.00 0.52 0.15 0.00 -0.02 0.00 0.00 57.16 57.81 2b5y n GLU 13 Cb 0.00 -1.86 0.60 0.00 -0.02 0.00 0.00 31.44 30.16 2b5y n GLU 13 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2b5y h LYS 14 N 0.00 0.00 0.00 3.49 3.64 -1.73 -3.47 116.57 118.50 2b5y h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2b5y h LYS 14 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2b5y h LYS 14 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 2b5y n ALA 15 N -1.99 0.00 -1.63 5.00 0.00 -0.40 -4.95 120.51 116.54 2b5y n ALA 15 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.14 2b5y n ALA 15 Cb 0.30 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.80 2b5y n ALA 15 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 2b5y s TRP 16 N -2.21 3.19 -0.10 0.00 1.48 -1.26 -1.39 118.94 118.65 2b5y s TRP 16 Ca 0.00 1.37 -0.16 0.00 -1.06 0.00 0.00 56.10 56.25 2b5y s TRP 16 Cb 0.00 -2.87 0.04 0.00 -1.16 0.00 0.00 33.47 29.47 2b5y s TRP 16 CO 0.00 -1.18 0.41 -1.17 -4.06 0.00 0.00 176.95 170.95 2b5y s LEU 17 N -5.50 0.44 0.00 -4.66 2.96 0.48 -4.87 118.68 107.54 2b5y s LEU 17 Ca 0.58 0.59 0.00 0.00 -0.22 0.00 0.00 54.13 55.08 2b5y s LEU 17 Cb -0.13 1.49 0.00 0.00 0.50 0.00 0.00 46.19 48.04 2b5y s LEU 17 CO 0.55 -0.29 0.00 0.59 -1.32 0.00 0.00 176.35 175.88 2b5y n ASN 18 N 2.17 -1.52 0.00 3.68 4.13 -1.26 -0.50 115.26 121.95 2b5y n ASN 18 Ca -0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.10 2b5y n ASN 18 Cb 0.57 -2.22 0.00 0.00 -1.54 0.00 0.00 39.78 36.59 2b5y n ASN 18 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2b5y n GLY 19 N -0.63 3.69 2.91 7.41 0.00 -1.26 -4.04 105.19 113.28 2b5y n GLY 19 Ca 0.00 -1.18 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 2b5y n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2b5y s GLU 20 N -2.44 1.08 0.29 1.61 -6.30 -1.26 -3.24 118.70 108.43 2b5y s GLU 20 Ca 0.00 -0.17 -0.06 0.00 -2.50 0.00 0.00 54.97 52.23 2b5y s GLU 20 Cb 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 34.13 33.07 2b5y s GLU 20 CO 0.00 -0.09 0.43 0.14 0.02 0.00 0.00 175.26 175.75 2b5y s VAL 21 N 1.03 0.00 0.22 3.70 -7.23 -1.26 -5.04 120.40 111.83 2b5y s VAL 21 Ca -0.09 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 2b5y s VAL 21 Cb -0.14 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 2b5y s VAL 21 CO -0.00 0.00 0.14 0.42 -0.31 0.00 0.00 175.10 175.34 2b5y s THR 22 N -3.58 0.11 0.25 5.32 -4.23 -1.26 -5.00 115.64 107.25 2b5y s THR 22 Ca 0.29 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.75 2b5y s THR 22 Cb 0.01 -2.52 0.25 0.00 1.34 0.00 0.00 72.50 71.58 2b5y s THR 22 CO 0.15 0.00 1.66 -0.09 -0.54 0.00 0.00 174.62 175.80 2b5y h ARG 23 N 2.53 0.20 -0.03 3.99 2.43 -1.95 -2.29 114.38 119.25 2b5y h ARG 23 Ca -0.35 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.70 2b5y h ARG 23 Cb 1.25 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2b5y h ARG 23 CO 0.53 0.13 -0.46 0.93 -1.51 0.00 0.00 179.97 179.59 2b5y h GLU 24 N 0.20 0.07 0.04 0.20 4.39 -1.96 -1.39 114.58 116.14 2b5y h GLU 24 Ca 0.43 -0.04 -0.23 0.00 0.34 0.00 0.00 59.36 59.87 2b5y h GLU 24 Cb 0.76 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 2b5y h GLU 24 CO -0.58 0.52 -1.01 1.96 -1.16 0.00 0.00 179.01 178.74 2b5y h GLN 25 N 0.06 0.21 0.00 2.33 4.20 -1.80 -3.35 115.11 116.75 2b5y h GLN 25 Ca 0.00 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2b5y h GLN 25 Cb 0.84 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2b5y h GLN 25 CO 0.06 1.06 -1.61 1.47 -0.67 0.00 0.00 178.83 179.14 2b5y n LEU 26 N -3.58 0.25 -4.73 1.46 -0.00 -1.14 -4.96 117.00 104.31 2b5y n LEU 26 Ca -0.05 -0.14 -0.35 0.00 -0.00 0.00 0.00 56.01 55.47 2b5y n LEU 26 Cb 0.90 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 44.40 2b5y n LEU 26 CO 0.50 0.06 0.82 -0.63 -0.00 0.00 0.00 177.39 178.14 2b5y s ILE 27 N -3.19 2.30 0.00 1.47 -1.09 -0.54 -4.69 121.20 115.45 2b5y s ILE 27 Ca -0.03 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 2b5y s ILE 27 Cb 0.13 -2.82 0.00 0.00 -1.58 0.00 0.00 42.46 38.19 2b5y s ILE 27 CO 0.80 -0.07 0.00 0.61 -1.23 0.00 0.00 174.94 175.05 2b5y n GLY 28 N 0.49 0.47 0.00 6.18 0.00 -1.12 -4.94 105.19 106.26 2b5y n GLY 28 Ca 0.14 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 2.80 -4.84 1.61 4.07 -1.26 -4.82 120.64 118.19 2b5y n GLU 29 Ca 0.00 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.77 2b5y n GLU 29 Cb 0.00 -0.23 -0.13 0.00 -0.06 0.00 0.00 31.44 31.01 2b5y n GLU 29 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2b5y s LYS 30 N 0.00 2.77 1.15 5.31 -0.14 -1.26 -4.81 119.74 122.76 2b5y s LYS 30 Ca 0.00 -0.68 -0.14 0.00 -1.36 0.00 0.00 55.97 53.78 2b5y s LYS 30 Cb 0.00 -2.46 0.27 0.00 -1.68 0.00 0.00 37.83 33.95 2b5y s LYS 30 CO 0.00 0.51 1.05 -1.25 -0.76 0.00 0.00 175.35 174.89 2b5y s PRO 31 N -0.42 -0.79 0.01 -1.68 0.04 -1.26 -4.18 135.00 126.72 2b5y s PRO 31 Ca 0.05 0.53 0.03 0.00 0.04 0.00 0.00 61.00 61.65 2b5y s PRO 31 Cb -0.12 -1.59 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 2b5y s PRO 31 CO 0.02 -3.56 -0.10 0.99 0.04 0.00 0.00 177.00 174.40 2b5y s THR 32 N -2.67 0.77 -0.19 1.26 2.01 -0.17 -0.27 115.64 116.37 2b5y s THR 32 Ca 0.68 -0.58 -0.00 0.00 0.31 0.00 0.00 61.69 62.10 2b5y s THR 32 Cb -0.20 -0.67 0.01 0.00 0.01 0.00 0.00 72.50 71.65 2b5y s THR 32 CO 0.61 0.10 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.27 2b5y s LEU 33 N -0.54 2.39 -0.16 4.42 2.96 -0.33 -0.65 118.68 126.78 2b5y s LEU 33 Ca 0.02 -0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 2b5y s LEU 33 Cb -0.05 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 2b5y s LEU 33 CO 0.00 -0.01 0.12 -0.63 -1.32 0.00 0.00 176.35 174.51 2b5y s ILE 34 N 1.34 5.35 0.01 6.68 1.01 -0.37 -1.48 121.20 133.75 2b5y s ILE 34 Ca 0.05 0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.90 2b5y s ILE 34 Cb -0.14 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 2b5y s ILE 34 CO -0.10 0.54 -0.11 -1.38 0.00 0.00 0.00 174.94 173.88 2b5y s HIS 35 N -0.36 1.00 -0.10 3.97 -3.43 -0.86 -1.13 115.29 114.37 2b5y s HIS 35 Ca 0.11 -0.25 -0.08 0.00 -0.80 0.00 0.00 55.06 54.04 2b5y s HIS 35 Cb -0.12 -0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 30.37 2b5y s HIS 35 CO 0.01 -0.01 0.18 -0.06 -2.00 0.00 0.00 174.74 172.87 2b5y s PHE 36 N -0.50 3.61 0.29 0.38 0.40 0.35 -0.51 117.98 122.01 2b5y s PHE 36 Ca 0.02 0.60 -0.12 0.00 -0.60 0.00 0.00 56.93 56.83 2b5y s PHE 36 Cb -0.06 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.48 2b5y s PHE 36 CO 0.00 0.71 0.56 1.67 0.70 0.00 0.00 175.22 178.86 2b5y s TRP 37 N -0.98 0.39 0.11 0.36 1.48 -0.87 -2.71 118.94 116.72 2b5y s TRP 37 Ca 0.16 -0.79 -0.10 0.00 -1.06 0.00 0.00 56.10 54.31 2b5y s TRP 37 Cb -0.13 0.31 0.00 0.00 -1.16 0.00 0.00 33.47 32.50 2b5y s TRP 37 CO 0.05 -1.15 0.26 -1.12 -4.06 0.00 0.00 176.95 170.93 2b5y s SER 38 N -3.06 0.03 0.00 -2.66 0.01 -1.26 -1.84 113.70 104.92 2b5y s SER 38 Ca 0.21 -0.63 0.07 0.00 1.31 0.00 0.00 55.95 56.91 2b5y s SER 38 Cb -0.02 0.39 0.40 0.00 0.21 0.00 0.00 66.02 67.00 2b5y s SER 38 CO 0.11 -0.79 0.91 2.30 0.41 0.00 0.00 173.24 176.18 2b5y n ILE 39 N -0.13 0.13 0.00 1.44 -5.35 -1.26 -3.67 119.36 110.52 2b5y n ILE 39 Ca -0.13 0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2b5y n ILE 39 Cb 0.63 -0.92 0.00 0.00 -1.74 0.00 0.00 39.64 37.60 2b5y n ILE 39 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2b5y n SER 40 N -1.04 3.44 -4.72 7.28 3.41 -1.26 -5.07 113.62 115.65 2b5y n SER 40 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.24 2b5y n SER 40 Cb 0.03 0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 2b5y n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b5y n HIS 42 N 3.44 0.00 0.00 0.00 1.44 -1.26 -1.85 115.22 116.98 2b5y n HIS 42 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 2b5y n HIS 42 Cb 0.46 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.57 2b5y n HIS 42 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2b5y n LEU 43 N -0.74 0.00 0.06 2.39 -0.00 -1.26 -4.73 117.00 112.73 2b5y n LEU 43 Ca 0.06 -0.06 0.17 0.00 -0.00 0.00 0.00 56.01 56.18 2b5y n LEU 43 Cb 0.03 0.00 0.67 0.00 -0.00 0.00 0.00 43.42 44.12 2b5y n LEU 43 CO 0.04 0.00 1.15 0.00 -0.00 0.00 0.00 177.39 178.59 2b5y h LYS 45 N 0.02 0.00 0.06 0.00 -0.00 -1.84 0.58 116.57 115.39 2b5y h LYS 45 Ca 0.19 0.00 -0.34 0.00 -0.00 0.00 0.00 60.65 60.50 2b5y h LYS 45 Cb 0.73 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.93 2b5y h LYS 45 CO -0.01 0.00 -1.96 0.39 -0.00 0.00 0.00 179.45 177.87 2b5y n GLU 46 N -2.54 0.70 0.08 0.07 -0.58 0.12 -4.31 120.64 114.18 2b5y n GLU 46 Ca -0.02 0.25 -0.13 0.00 -0.42 0.00 0.00 57.16 56.84 2b5y n GLU 46 Cb 0.11 -1.71 -0.08 0.00 -0.57 0.00 0.00 31.44 29.19 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 0.44 -0.14 -0.47 0.62 0.00 -1.11 -2.88 119.26 115.72 2b5y h ALA 47 Ca -0.40 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.53 2b5y h ALA 47 Cb 2.03 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.78 2b5y h ALA 47 CO 0.07 -0.52 -0.17 0.52 0.00 0.00 0.00 179.25 179.15 2b5y h MET 48 N -0.25 -0.06 -0.40 0.00 2.86 -1.16 0.28 114.93 116.21 2b5y h MET 48 Ca -0.01 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 2b5y h MET 48 Cb 0.21 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2b5y h MET 48 CO 0.02 -0.04 -0.21 -1.00 1.06 0.00 0.00 176.91 176.74 2b5y h PRO 49 N -0.06 0.78 0.00 -0.22 0.13 -1.75 -2.02 132.00 128.86 2b5y h PRO 49 Ca 0.23 -0.31 -0.12 0.00 -0.87 0.00 0.00 66.00 64.93 2b5y h PRO 49 Cb 0.41 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 2b5y h PRO 49 CO -0.52 0.93 -0.55 1.96 -0.23 0.00 0.00 178.00 179.58 2b5y h GLN 50 N 0.68 0.00 -0.23 0.86 4.20 -0.99 -1.39 115.11 118.24 2b5y h GLN 50 Ca 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 2b5y h GLN 50 Cb 0.72 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 2b5y h GLN 50 CO 0.06 0.55 0.08 0.28 -0.67 0.00 0.00 178.83 179.12 2b5y h VAL 51 N 0.00 1.19 -0.80 -0.54 2.07 -0.39 -0.33 116.25 117.46 2b5y h VAL 51 Ca -0.01 -0.59 0.12 0.00 0.82 0.00 0.00 66.70 67.04 2b5y h VAL 51 Cb 1.04 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 31.88 2b5y h VAL 51 CO 0.07 0.19 0.41 -1.13 0.02 0.00 0.00 177.57 177.14 2b5y h ASN 52 N 0.20 0.54 -0.11 0.57 -1.24 -1.03 0.21 115.58 114.73 2b5y h ASN 52 Ca 0.07 0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.15 2b5y h ASN 52 Cb 0.22 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.25 2b5y h ASN 52 CO -0.00 0.27 0.05 -0.33 -1.29 0.00 0.00 177.43 176.13 2b5y h GLU 53 N 0.66 0.16 -0.71 6.67 5.08 -0.81 -2.43 114.58 123.19 2b5y h GLU 53 Ca 0.41 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2b5y h GLU 53 Cb 0.48 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2b5y h GLU 53 CO -0.30 0.24 0.46 0.74 -1.00 0.00 0.00 179.01 179.14 2b5y h PHE 54 N 0.03 0.91 -0.35 4.33 0.04 -0.53 0.24 116.94 121.61 2b5y h PHE 54 Ca 0.04 0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.92 2b5y h PHE 54 Cb 0.14 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 2b5y h PHE 54 CO -0.02 0.59 0.27 -0.09 -0.60 0.00 0.00 178.31 178.46 2b5y h ARG 55 N 0.97 0.00 0.00 1.51 1.12 -0.78 0.20 114.38 117.40 2b5y h ARG 55 Ca 0.26 0.00 -0.24 0.00 -1.11 0.00 0.00 59.98 58.89 2b5y h ARG 55 Cb -0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 29.83 2b5y h ARG 55 CO -0.05 0.00 -1.89 -3.47 -3.11 0.00 0.00 179.97 171.45 2b5y n ASP 56 N -4.28 2.15 0.12 -3.80 2.03 -0.82 -4.10 116.55 107.86 2b5y n ASP 56 Ca 0.05 -0.03 -0.24 0.00 0.52 0.00 0.00 54.79 55.09 2b5y n ASP 56 Cb 0.45 0.47 -0.16 0.00 -0.72 0.00 0.00 41.12 41.16 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 0.00 0.49 -0.01 -0.67 1.57 -0.50 -3.39 116.57 114.06 2b5y h LYS 57 Ca -0.35 -0.84 0.00 0.00 -1.87 0.00 0.00 60.65 57.59 2b5y h LYS 57 Cb 1.71 0.31 0.00 0.00 0.08 0.00 0.00 32.23 34.34 2b5y h LYS 57 CO -0.01 1.40 -0.17 0.66 -0.57 0.00 0.00 179.45 180.77 2b5y n TYR 58 N -3.70 0.00 -0.50 -1.35 4.01 0.01 -4.73 117.16 110.89 2b5y n TYR 58 Ca -0.19 0.00 0.40 0.00 -0.16 0.00 0.00 57.90 57.95 2b5y n TYR 58 Cb 1.09 0.00 0.65 0.00 -0.31 0.00 0.00 39.34 40.77 2b5y n TYR 58 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2b5y n GLN 59 N -0.21 -0.02 -0.07 -0.72 -0.00 -0.88 -0.47 117.38 115.01 2b5y n GLN 59 Ca 0.04 1.06 0.12 0.00 -0.00 0.00 0.00 57.00 58.22 2b5y n GLN 59 Cb 0.19 -2.21 0.25 0.00 -0.00 0.00 0.00 30.24 28.46 2b5y n GLN 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2b5y n ASP 60 N -4.20 2.68 0.00 2.61 2.03 -1.26 -4.26 116.55 114.15 2b5y n ASP 60 Ca 0.37 -1.87 0.00 0.00 0.52 0.00 0.00 54.79 53.81 2b5y n ASP 60 Cb 1.55 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.87 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 1.04 3.12 -3.66 -0.67 3.00 0.38 -5.05 117.38 115.54 2b5y n GLN 61 Ca 0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.02 2b5y n GLN 61 Cb 0.52 -0.59 -0.08 0.00 0.00 0.00 0.00 30.24 30.09 2b5y n GLN 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2b5y s LEU 62 N -1.44 -0.38 0.13 1.08 2.96 0.33 -4.41 118.68 116.95 2b5y s LEU 62 Ca 0.00 1.23 -0.17 0.00 -0.22 0.00 0.00 54.13 54.97 2b5y s LEU 62 Cb 0.00 2.14 -0.07 0.00 0.50 0.00 0.00 46.19 48.76 2b5y s LEU 62 CO 0.00 -0.23 0.59 0.20 -1.32 0.00 0.00 176.35 175.59 2b5y s ASN 63 N 0.28 6.97 -0.04 3.68 0.01 0.63 -4.00 114.94 122.47 2b5y s ASN 63 Ca -0.00 1.22 0.05 0.00 -0.71 0.00 0.00 52.86 53.41 2b5y s ASN 63 Cb -0.04 -2.34 -0.01 0.00 0.41 0.00 0.00 41.25 39.27 2b5y s ASN 63 CO 0.01 0.16 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.89 2b5y s VAL 64 N -1.33 1.50 -0.05 1.60 1.01 -1.26 -1.18 120.40 120.70 2b5y s VAL 64 Ca 0.35 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 2b5y s VAL 64 Cb -0.17 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 34.95 2b5y s VAL 64 CO 0.20 0.43 0.23 0.54 0.00 0.00 0.00 175.10 176.50 2b5y s VAL 65 N -0.10 0.04 0.35 2.92 0.11 -0.55 -4.31 120.40 118.87 2b5y s VAL 65 Ca -0.01 -0.32 0.08 0.00 -2.93 0.00 0.00 61.98 58.80 2b5y s VAL 65 Cb -0.11 -0.44 -0.05 0.00 -1.53 0.00 0.00 36.38 34.25 2b5y s VAL 65 CO 0.02 -0.18 0.08 0.00 -3.33 0.00 0.00 175.10 171.69 2b5y s ALA 66 N -0.68 3.36 -0.11 1.54 0.00 -0.20 -2.04 121.76 123.63 2b5y s ALA 66 Ca -0.08 -1.92 -0.02 0.00 0.00 0.00 0.00 51.96 49.93 2b5y s ALA 66 Cb -0.04 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.61 2b5y s ALA 66 CO 0.02 0.03 0.03 0.08 0.00 0.00 0.00 175.76 175.92 2b5y s VAL 67 N -2.49 0.24 -0.07 0.00 1.01 0.33 -0.76 120.40 118.66 2b5y s VAL 67 Ca 0.36 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 62.09 2b5y s VAL 67 Cb -0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 2b5y s VAL 67 CO 0.21 0.05 0.75 -2.28 0.00 0.00 0.00 175.10 173.83 2b5y s HIS 68 N 2.01 3.57 -0.17 5.22 2.46 -0.01 -2.04 115.29 126.33 2b5y s HIS 68 Ca 0.03 1.31 0.01 0.00 0.47 0.00 0.00 55.06 56.88 2b5y s HIS 68 Cb -0.14 -2.87 0.02 0.00 -0.13 0.00 0.00 32.58 29.46 2b5y s HIS 68 CO -0.06 0.04 -0.20 1.41 -2.47 0.00 0.00 174.74 173.46 2b5y s MET 69 N 0.96 2.93 0.10 2.88 0.00 -0.77 -1.97 119.30 123.44 2b5y s MET 69 Ca 0.39 -0.81 -0.33 0.00 0.00 0.00 0.00 55.69 54.94 2b5y s MET 69 Cb -0.18 -2.51 -0.13 0.00 0.00 0.00 0.00 34.83 32.02 2b5y s MET 69 CO 0.19 -0.18 1.70 -2.30 0.00 0.00 0.00 175.02 174.43 2b5y n PRO 70 N 4.54 2.31 0.00 4.11 -0.02 -1.26 -4.61 135.00 140.07 2b5y n PRO 70 Ca -0.21 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2b5y n PRO 70 Cb 0.50 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 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 4.53 2.13 -3.90 -0.52 1.74 -1.26 -4.87 116.66 114.51 2b5y n ARG 71 Ca 0.18 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.17 2b5y n ARG 71 Cb 0.31 -0.97 -0.05 0.00 -1.02 0.00 0.00 32.46 30.73 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 -2.38 -0.14 0.26 0.55 0.01 -1.26 -5.00 113.70 105.73 2b5y s SER 72 Ca 0.00 -0.75 -0.05 0.00 1.31 0.00 0.00 55.95 56.46 2b5y s SER 72 Cb 0.00 0.58 0.30 0.00 0.21 0.00 0.00 66.02 67.10 2b5y s SER 72 CO 0.00 -1.10 1.90 -0.33 0.41 0.00 0.00 173.24 174.12 2b5y h GLU 73 N 2.25 1.20 -0.16 12.44 5.08 -2.02 -1.71 114.58 131.66 2b5y h GLU 73 Ca -0.27 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2b5y h GLU 73 Cb 1.25 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2b5y h GLU 73 CO 0.36 0.85 0.00 -3.47 -1.00 0.00 0.00 179.01 175.75 2b5y n ASP 74 N -4.36 0.16 -0.00 1.42 2.03 -1.26 -2.30 116.55 112.24 2b5y n ASP 74 Ca 0.10 -1.47 0.01 0.00 0.52 0.00 0.00 54.79 53.95 2b5y n ASP 74 Cb 0.07 -0.08 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 -0.37 0.75 0.18 1.67 2.03 -0.65 -4.66 116.55 115.51 2b5y n ASP 75 Ca 0.00 -0.48 0.08 0.00 0.52 0.00 0.00 54.79 54.91 2b5y n ASP 75 Cb 0.04 1.02 0.10 0.00 -0.72 0.00 0.00 41.12 41.55 2b5y n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2b5y h LEU 76 N 0.00 0.00 -8.50 -2.67 3.38 -1.41 -3.45 115.31 102.66 2b5y h LEU 76 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2b5y h LEU 76 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2b5y h LEU 76 CO 0.00 0.23 1.55 -0.67 0.09 0.00 0.00 178.44 179.64 2b5y n ASP 77 N -3.13 1.94 -0.18 -0.43 -0.08 -1.26 -4.85 116.55 108.56 2b5y n ASP 77 Ca 0.03 0.08 0.12 0.00 -1.51 0.00 0.00 54.79 53.50 2b5y n ASP 77 Cb 0.62 -1.32 0.44 0.00 2.34 0.00 0.00 41.12 43.20 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 14.67 0.54 -0.17 -0.67 0.11 -1.99 -1.32 132.00 143.18 2b5y h PRO 78 Ca -0.23 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 2b5y h PRO 78 Cb 1.30 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2b5y h PRO 78 CO 1.12 0.36 -0.07 0.78 -0.21 0.00 0.00 178.00 179.98 2b5y h GLY 79 N 0.56 0.38 2.00 -0.55 0.00 -1.99 -2.23 103.07 101.24 2b5y h GLY 79 Ca 0.36 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 2b5y h GLY 79 CO -0.13 0.31 -0.52 1.70 0.00 0.00 0.00 176.54 177.91 2b5y h LYS 80 N 0.04 0.00 0.20 4.80 3.64 -1.75 0.13 116.57 123.63 2b5y h LYS 80 Ca 0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2b5y h LYS 80 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2b5y h LYS 80 CO 0.02 0.52 -0.10 0.82 -2.27 0.00 0.00 179.45 178.44 2b5y h ILE 81 N 0.00 0.88 -0.04 2.00 2.04 -1.26 0.03 117.51 121.16 2b5y h ILE 81 Ca -0.01 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.47 2b5y h ILE 81 Cb 1.21 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 2b5y h ILE 81 CO 0.07 0.09 -0.22 0.50 0.00 0.00 0.00 178.15 178.59 2b5y h LYS 82 N -0.48 -0.32 -0.34 2.37 1.63 -1.24 -1.02 116.57 117.18 2b5y h LYS 82 Ca -0.03 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 2b5y h LYS 82 Cb 0.36 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 2b5y h LYS 82 CO 0.05 -0.21 -0.03 0.93 -3.45 0.00 0.00 179.45 176.73 2b5y h GLU 83 N -0.33 0.62 -0.48 1.90 5.08 -0.67 -0.56 114.58 120.15 2b5y h GLU 83 Ca 0.07 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 2b5y h GLU 83 Cb 0.43 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2b5y h GLU 83 CO -0.23 0.77 0.07 1.15 -1.00 0.00 0.00 179.01 179.77 2b5y h THR 84 N 0.42 1.22 -0.26 1.13 2.02 -0.94 0.99 112.91 117.50 2b5y h THR 84 Ca 0.09 -0.85 -0.04 0.00 0.77 0.00 0.00 66.41 66.38 2b5y h THR 84 Cb 0.51 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2b5y h THR 84 CO 0.02 0.31 -0.01 0.00 0.37 0.00 0.00 175.52 176.21 2b5y h ALA 85 N 1.36 1.49 -0.15 6.16 0.00 -0.72 -0.32 119.26 127.07 2b5y h ALA 85 Ca 0.15 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2b5y h ALA 85 Cb 0.34 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2b5y h ALA 85 CO 0.01 0.36 -0.79 0.00 0.00 0.00 0.00 179.25 178.83 2b5y h ALA 86 N 1.61 0.30 -0.16 0.00 0.00 -0.03 0.16 119.26 121.14 2b5y h ALA 86 Ca 0.09 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 2b5y h ALA 86 Cb 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2b5y h ALA 86 CO 0.01 0.68 -0.29 0.93 0.00 0.00 0.00 179.25 180.58 2b5y h GLU 87 N 0.55 0.31 -0.60 0.00 4.39 -0.31 -2.39 114.58 116.53 2b5y h GLU 87 Ca -0.06 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2b5y h GLU 87 Cb 1.42 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 2b5y h GLU 87 CO 0.16 0.58 0.00 0.72 -1.16 0.00 0.00 179.01 179.32 2b5y n HIS 88 N -4.12 0.79 -3.53 4.33 8.25 -0.18 -4.98 115.22 115.78 2b5y n HIS 88 Ca -0.01 -0.40 -0.22 0.00 -0.26 0.00 0.00 57.72 56.83 2b5y n HIS 88 Cb 0.40 -0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.59 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 1.61 -6.13 -3.66 0.41 2.03 -0.60 -4.57 116.55 105.64 2b5y n ASP 89 Ca 0.23 -0.51 -0.41 0.00 0.52 0.00 0.00 54.79 54.62 2b5y n ASP 89 Cb 0.62 -4.75 0.00 0.00 -0.72 0.00 0.00 41.12 36.27 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 -4.86 5.11 1.24 5.18 5.41 0.47 -4.59 119.36 127.32 2b5y n ILE 90 Ca 0.01 -4.73 0.12 0.00 1.00 0.00 0.00 62.75 59.15 2b5y n ILE 90 Cb 0.56 -2.09 0.39 0.00 -0.71 0.00 0.00 39.64 37.79 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 1.91 0.13 -1.01 1.39 -2.24 -1.26 -4.84 114.28 108.36 2b5y n THR 91 Ca 0.50 -0.36 -0.30 0.00 -2.27 0.00 0.00 64.05 61.62 2b5y n THR 91 Cb 0.29 0.59 0.15 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.87 1.13 0.24 -0.78 0.00 -1.26 -4.73 119.66 112.39 2b5y s GLN 92 Ca 0.35 1.08 -0.30 0.00 -0.00 0.00 0.00 55.36 56.49 2b5y s GLN 92 Cb 0.20 -1.77 -0.15 0.00 0.00 0.00 0.00 33.01 31.29 2b5y s GLN 92 CO 0.30 -2.40 1.10 -2.30 0.00 0.00 0.00 175.29 171.99 2b5y n PRO 93 N -4.03 1.32 -4.08 9.60 -0.02 -1.26 -4.47 135.00 132.08 2b5y n PRO 93 Ca 0.08 0.47 -0.24 0.00 -2.02 0.00 0.00 63.50 61.79 2b5y n PRO 93 Cb 0.54 -1.91 -0.17 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.61 0.76 0.24 4.25 1.01 0.34 -1.03 121.20 126.16 2b5y s ILE 94 Ca 0.65 -0.19 -0.28 0.00 0.00 0.00 0.00 60.65 60.84 2b5y s ILE 94 Cb -0.76 -0.79 -0.09 0.00 0.01 0.00 0.00 42.46 40.83 2b5y s ILE 94 CO 0.56 0.30 0.90 -0.36 0.00 0.00 0.00 174.94 176.34 2b5y s PHE 95 N 1.35 3.92 -0.20 3.97 0.08 0.06 -0.39 117.98 126.77 2b5y s PHE 95 Ca -0.03 1.82 -0.01 0.00 0.12 0.00 0.00 56.93 58.83 2b5y s PHE 95 Cb -0.14 -2.92 0.01 0.00 -0.57 0.00 0.00 43.02 39.41 2b5y s PHE 95 CO -0.03 0.43 -0.12 0.08 -0.10 0.00 0.00 175.22 175.48 2b5y s VAL 96 N -1.25 2.66 0.15 -0.44 1.01 -0.49 -0.83 120.40 121.22 2b5y s VAL 96 Ca 0.41 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 2b5y s VAL 96 Cb -0.24 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.88 2b5y s VAL 96 CO 0.29 0.46 0.75 -0.62 0.00 0.00 0.00 175.10 175.98 2b5y s ASP 97 N 1.37 7.35 0.03 3.32 2.15 -0.83 -2.30 116.67 127.76 2b5y s ASP 97 Ca 0.05 1.60 -0.14 0.00 0.43 0.00 0.00 52.55 54.49 2b5y s ASP 97 Cb -0.14 -2.48 -0.34 0.00 -0.30 0.00 0.00 42.92 39.66 2b5y s ASP 97 CO -0.08 0.22 1.01 0.77 -0.17 0.00 0.00 175.17 176.91 2b5y h SER 98 N 4.36 0.77 -0.09 -0.34 4.64 -1.89 -3.41 113.55 117.59 2b5y h SER 98 Ca -0.47 -0.83 0.18 0.00 -0.47 0.00 0.00 61.79 60.19 2b5y h SER 98 Cb 1.21 -0.25 -0.17 0.00 -0.31 0.00 0.00 62.40 62.87 2b5y h SER 98 CO 0.66 1.66 -0.03 -0.62 -0.87 0.00 0.00 176.83 177.62 2b5y s ASP 99 N -7.50 -0.14 -0.39 4.97 2.15 -1.26 -4.89 116.67 109.61 2b5y s ASP 99 Ca -0.08 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 52.84 2b5y s ASP 99 Cb 0.05 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 43.03 2b5y s ASP 99 CO 0.93 -0.02 0.00 0.00 -0.17 0.00 0.00 175.17 175.92 2b5y n HIS 100 N 3.88 -0.09 0.47 -5.34 1.44 -1.26 -4.89 115.22 109.43 2b5y n HIS 100 Ca 0.06 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.57 2b5y n HIS 100 Cb 0.63 -1.81 -0.10 0.00 0.12 0.00 0.00 29.99 28.83 2b5y n HIS 100 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2b5y h ALA 101 N 0.17 -1.25 0.00 1.59 0.00 -1.95 0.71 119.26 118.54 2b5y h ALA 101 Ca -0.08 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2b5y h ALA 101 Cb 0.73 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2b5y h ALA 101 CO 0.11 -1.21 -0.22 1.25 0.00 0.00 0.00 179.25 179.19 2b5y h LEU 102 N -1.22 0.00 -0.93 0.00 6.46 -1.91 -1.66 115.31 116.05 2b5y h LEU 102 Ca -0.12 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 2b5y h LEU 102 Cb 0.96 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.85 2b5y h LEU 102 CO 0.16 0.22 0.44 0.74 -0.62 0.00 0.00 178.44 179.38 2b5y h THR 103 N 0.00 1.25 0.00 1.05 2.02 -1.62 -1.44 112.91 114.17 2b5y h THR 103 Ca -0.00 -0.67 -0.10 0.00 0.77 0.00 0.00 66.41 66.41 2b5y h THR 103 Cb 0.41 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2b5y h THR 103 CO 0.03 0.29 -0.48 -0.78 0.37 0.00 0.00 175.52 174.95 2b5y h ASP 104 N 1.20 0.00 0.71 4.18 3.58 -0.24 0.05 116.42 125.90 2b5y h ASP 104 Ca 0.30 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.64 2b5y h ASP 104 Cb 0.07 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 2b5y h ASP 104 CO -0.04 0.48 -0.53 0.00 -2.88 0.00 0.00 179.24 176.27 2b5y h ALA 105 N 1.52 0.98 0.00 -0.78 0.00 -0.38 -3.22 119.26 117.38 2b5y h ALA 105 Ca -0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2b5y h ALA 105 Cb 1.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2b5y h ALA 105 CO 0.06 0.66 -0.28 1.97 0.00 0.00 0.00 179.25 181.66 2b5y n PHE 106 N -3.70 0.00 -4.29 0.00 -1.74 -0.92 -4.91 117.46 101.91 2b5y n PHE 106 Ca -0.01 -0.52 -0.31 0.00 -0.56 0.00 0.00 57.45 56.05 2b5y n PHE 106 Cb 0.58 -0.10 -0.09 0.00 1.52 0.00 0.00 39.48 41.38 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 -0.69 -1.25 -1.97 3.97 1.02 -0.09 -4.72 120.64 116.91 2b5y n GLU 107 Ca 0.08 0.14 -0.31 0.00 -0.02 0.00 0.00 57.16 57.05 2b5y n GLU 107 Cb 0.68 -3.78 -0.04 0.00 -0.02 0.00 0.00 31.44 28.28 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 -4.31 5.04 0.00 1.62 2.47 -0.63 -4.84 114.94 114.30 2b5y s ASN 108 Ca 0.05 -0.09 0.00 0.00 0.42 0.00 0.00 52.86 53.24 2b5y s ASN 108 Cb -0.03 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.23 2b5y s ASN 108 CO 0.99 -2.70 0.56 -0.62 -3.72 0.00 0.00 177.10 171.61 2b5y n GLU 109 N 9.00 0.84 -2.54 0.43 1.02 -1.26 -4.80 120.64 123.34 2b5y n GLU 109 Ca 0.33 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.41 2b5y n GLU 109 Cb 0.49 -1.28 -0.02 0.00 -0.02 0.00 0.00 31.44 30.61 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 -0.11 -0.09 0.08 -0.32 4.01 -1.26 -5.14 117.16 114.33 2b5y n TYR 110 Ca 0.00 -0.63 0.00 0.00 -0.16 0.00 0.00 57.90 57.11 2b5y n TYR 110 Cb 0.14 0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 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 -0.18 0.71 -1.84 -0.72 0.31 -1.26 -4.88 118.33 110.46 2b5y n VAL 111 Ca 0.00 0.23 -0.21 0.00 -0.01 0.00 0.00 64.34 64.35 2b5y n VAL 111 Cb 0.14 -1.18 -0.08 0.00 -0.91 0.00 0.00 33.84 31.82 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 1.93 0.03 5.55 0.04 -1.25 -3.84 135.00 135.45 2b5y s PRO 112 Ca 0.00 -0.55 0.00 0.00 0.04 0.00 0.00 61.00 60.49 2b5y s PRO 112 Cb 0.00 -5.06 -0.02 0.00 0.04 0.00 0.00 34.50 29.45 2b5y s PRO 112 CO 0.00 -4.48 -0.04 0.00 0.04 0.00 0.00 177.00 172.52 2b5y s ALA 113 N 13.46 0.26 -0.15 8.56 0.00 -1.10 -1.27 121.76 141.53 2b5y s ALA 113 Ca 0.76 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 51.82 2b5y s ALA 113 Cb -0.05 0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.27 2b5y s ALA 113 CO 0.12 -0.17 0.47 1.52 0.00 0.00 0.00 175.76 177.70 2b5y s TYR 114 N -1.88 -0.49 -0.03 0.00 -0.85 -0.34 -0.50 117.35 113.26 2b5y s TYR 114 Ca -0.11 1.14 0.01 0.00 -0.52 0.00 0.00 57.07 57.60 2b5y s TYR 114 Cb -0.07 0.19 0.01 0.00 0.38 0.00 0.00 41.96 42.47 2b5y s TYR 114 CO -0.02 -0.30 -0.06 0.71 -1.52 0.00 0.00 175.55 174.36 2b5y s TYR 115 N -0.06 0.73 -0.11 -3.49 1.51 -0.28 -1.23 117.35 114.42 2b5y s TYR 115 Ca -0.03 -0.19 0.03 0.00 -1.01 0.00 0.00 57.07 55.88 2b5y s TYR 115 Cb -0.03 -0.60 0.01 0.00 -0.11 0.00 0.00 41.96 41.22 2b5y s TYR 115 CO 0.02 -0.14 -0.22 0.08 -1.11 0.00 0.00 175.55 174.19 2b5y s VAL 116 N 0.58 1.93 0.04 0.71 1.01 0.17 -1.23 120.40 123.61 2b5y s VAL 116 Ca -0.08 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.03 2b5y s VAL 116 Cb -0.11 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 2b5y s VAL 116 CO 0.00 0.53 -0.16 -0.36 0.00 0.00 0.00 175.10 175.11 2b5y s PHE 117 N 0.56 1.36 1.12 5.22 0.40 0.17 -0.61 117.98 126.21 2b5y s PHE 117 Ca -0.14 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.70 2b5y s PHE 117 Cb -0.17 -0.81 0.26 0.00 0.51 0.00 0.00 43.02 42.81 2b5y s PHE 117 CO 0.05 0.05 1.05 0.34 0.70 0.00 0.00 175.22 177.41 2b5y s ASP 118 N -1.21 1.30 0.60 1.36 2.15 0.18 -1.00 116.67 120.06 2b5y s ASP 118 Ca 0.03 1.71 0.39 0.00 0.43 0.00 0.00 52.55 55.10 2b5y s ASP 118 Cb -0.08 -2.40 1.87 0.00 -0.30 0.00 0.00 42.92 42.02 2b5y s ASP 118 CO 0.02 -4.03 2.16 0.07 -0.17 0.00 0.00 175.17 173.22 2b5y h LYS 119 N -2.51 0.00 -0.23 4.34 2.10 -1.88 -0.33 116.57 118.07 2b5y h LYS 119 Ca -0.58 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 2b5y h LYS 119 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 2b5y h LYS 119 CO 0.48 0.00 0.00 -2.37 -2.00 0.00 0.00 179.45 175.56 2b5y n THR 120 N -3.06 0.29 -2.37 0.07 5.66 -1.26 -2.78 114.28 110.83 2b5y n THR 120 Ca -0.01 -0.44 -0.07 0.00 -3.05 0.00 0.00 64.05 60.48 2b5y n THR 120 Cb 0.19 0.49 0.03 0.00 -1.55 0.00 0.00 70.33 69.49 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 1.21 -0.00 3.07 1.09 0.00 -0.13 -5.00 105.19 105.42 2b5y n GLY 121 Ca 0.16 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 2b5y n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2b5y s GLN 122 N -3.84 1.35 -0.12 1.61 -1.52 -1.26 -4.17 119.66 111.71 2b5y s GLN 122 Ca 0.16 -0.45 -0.29 0.00 -1.95 0.00 0.00 55.36 52.83 2b5y s GLN 122 Cb -0.02 -1.21 -0.06 0.00 -0.22 0.00 0.00 33.01 31.50 2b5y s GLN 122 CO 0.33 0.18 1.95 -1.17 -0.25 0.00 0.00 175.29 176.32 2b5y s LEU 123 N 0.12 3.96 -0.17 2.90 2.96 -0.53 -0.65 118.68 127.27 2b5y s LEU 123 Ca -0.03 2.12 -0.22 0.00 -0.22 0.00 0.00 54.13 55.77 2b5y s LEU 123 Cb -0.10 -3.52 -0.23 0.00 0.50 0.00 0.00 46.19 42.84 2b5y s LEU 123 CO 0.01 -1.40 0.43 0.03 -1.32 0.00 0.00 176.35 174.10 2b5y h ARG 124 N 12.06 0.05 -2.70 1.98 2.47 -1.15 -2.82 114.38 124.26 2b5y h ARG 124 Ca -0.42 -0.08 0.01 0.00 -1.26 0.00 0.00 59.98 58.22 2b5y h ARG 124 Cb 1.21 0.03 -0.14 0.00 -1.65 0.00 0.00 29.97 29.43 2b5y h ARG 124 CO 0.96 1.04 0.28 -1.58 0.56 0.00 0.00 179.97 181.23 2b5y s HIS 125 N -2.35 -0.51 0.05 3.04 5.04 -0.98 -4.91 115.29 114.67 2b5y s HIS 125 Ca -0.24 0.40 -0.13 0.00 -1.54 0.00 0.00 55.06 53.55 2b5y s HIS 125 Cb 0.03 0.54 0.02 0.00 0.04 0.00 0.00 32.58 33.21 2b5y s HIS 125 CO 0.65 -0.75 0.30 -0.59 -2.34 0.00 0.00 174.74 172.02 2b5y s PHE 126 N -3.26 -0.09 0.31 3.88 -0.71 -1.26 -0.65 117.98 116.20 2b5y s PHE 126 Ca 0.00 -0.09 -0.07 0.00 -1.04 0.00 0.00 56.93 55.74 2b5y s PHE 126 Cb -0.01 0.09 0.00 0.00 -1.21 0.00 0.00 43.02 41.90 2b5y s PHE 126 CO -0.09 -0.52 0.49 -0.65 -1.34 0.00 0.00 175.22 173.11 2b5y s GLN 127 N -2.77 1.80 0.11 1.99 -1.52 -0.37 -5.00 119.66 113.90 2b5y s GLN 127 Ca -0.03 -1.57 -0.21 0.00 -1.95 0.00 0.00 55.36 51.60 2b5y s GLN 127 Cb -0.00 0.46 0.05 0.00 -0.22 0.00 0.00 33.01 33.31 2b5y s GLN 127 CO -0.05 -0.76 0.52 0.00 -0.25 0.00 0.00 175.29 174.76 2b5y s ALA 128 N -3.32 -1.33 -1.72 6.09 0.00 -1.26 -1.20 121.76 119.02 2b5y s ALA 128 Ca 0.27 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.63 2b5y s ALA 128 Cb -0.01 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.75 2b5y s ALA 128 CO 0.16 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.69 2b5y n GLY 129 N -0.03 0.21 3.76 0.00 0.00 -0.39 -4.99 105.19 103.74 2b5y n GLY 129 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.21 1.84 -0.58 -0.02 0.00 -1.26 -4.88 107.32 100.20 2b5y s GLY 130 Ca 0.00 0.39 -0.27 0.00 0.00 0.00 0.00 44.72 44.84 2b5y s GLY 130 CO 0.00 0.74 2.47 1.44 0.00 0.00 0.00 173.10 177.75 2b5y n SER 131 N -3.22 1.96 -1.78 1.64 7.64 -1.26 -1.10 113.62 117.49 2b5y n SER 131 Ca 0.10 -0.39 -0.11 0.00 1.01 0.00 0.00 58.87 59.48 2b5y n SER 131 Cb 0.53 -1.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.23 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 6.10 0.41 2.08 0.23 0.00 -1.26 -1.04 105.19 111.72 2b5y n GLY 132 Ca 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.16 -1.87 -0.24 1.61 3.85 -0.26 -4.45 117.12 113.60 2b5y n MET 133 Ca -0.12 0.45 -0.02 0.00 -1.00 0.00 0.00 57.70 57.01 2b5y n MET 133 Cb 0.46 -4.83 0.09 0.00 -1.05 0.00 0.00 33.22 27.88 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 0.74 0.00 3.17 1.63 -1.36 -1.25 116.57 119.50 2b5y h LYS 134 Ca -0.19 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 2b5y h LYS 134 Cb 0.87 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2b5y h LYS 134 CO 0.25 0.49 0.00 0.00 -3.45 0.00 0.00 179.45 176.73 2b5y h MET 135 N 0.76 0.00 -0.46 1.90 -0.00 -1.90 -2.42 114.93 112.81 2b5y h MET 135 Ca 0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.93 2b5y h MET 135 Cb 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.69 2b5y h MET 135 CO -0.15 0.00 0.03 1.25 -0.00 0.00 0.00 176.91 178.05 2b5y h LEU 136 N 0.00 0.69 -0.84 -0.10 5.85 -1.61 -1.75 115.31 117.55 2b5y h LEU 136 Ca 0.00 -0.15 0.17 0.00 0.84 0.00 0.00 57.88 58.75 2b5y h LEU 136 Cb 0.03 -0.18 -0.11 0.00 0.37 0.00 0.00 40.66 40.77 2b5y h LEU 136 CO 0.00 0.74 0.37 -0.08 -0.34 0.00 0.00 178.44 179.14 2b5y h GLU 137 N 0.69 0.46 -0.13 1.25 4.81 -1.57 -0.95 114.58 119.15 2b5y h GLU 137 Ca 0.14 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 2b5y h GLU 137 Cb 0.38 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2b5y h GLU 137 CO 0.01 0.31 -0.16 0.87 -0.73 0.00 0.00 179.01 179.31 2b5y h LYS 138 N 0.48 0.34 -0.48 1.92 1.57 -1.49 0.38 116.57 119.29 2b5y h LYS 138 Ca 0.48 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 2b5y h LYS 138 Cb 0.80 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 2b5y h LYS 138 CO -0.44 0.75 0.09 0.00 -0.57 0.00 0.00 179.45 179.28 2b5y h ARG 139 N -0.05 0.78 -0.24 3.15 2.47 -1.12 0.37 114.38 119.74 2b5y h ARG 139 Ca 0.02 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.52 2b5y h ARG 139 Cb 0.70 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 2b5y h ARG 139 CO 0.04 0.78 0.11 0.28 0.56 0.00 0.00 179.97 181.74 2b5y h VAL 140 N 0.66 1.15 -0.23 2.04 2.07 -1.24 -2.73 116.25 117.97 2b5y h VAL 140 Ca 0.15 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 2b5y h VAL 140 Cb 0.37 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2b5y h VAL 140 CO 0.01 0.15 -0.11 0.78 0.02 0.00 0.00 177.57 178.42 2b5y h ASN 141 N 0.24 0.35 -0.40 0.57 2.35 -0.33 -1.60 115.58 116.77 2b5y h ASN 141 Ca 0.08 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 2b5y h ASN 141 Cb 0.14 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2b5y h ASN 141 CO -0.01 0.50 0.08 0.03 -1.65 0.00 0.00 177.43 176.38 2b5y h ARG 142 N 0.35 0.64 -0.76 0.81 -0.00 -0.65 0.29 114.38 115.06 2b5y h ARG 142 Ca 0.07 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.98 59.37 2b5y h ARG 142 Cb 0.41 -0.08 -0.04 0.00 0.00 0.00 0.00 29.97 30.27 2b5y h ARG 142 CO 0.02 0.68 0.42 0.28 0.00 0.00 0.00 179.97 181.37 2b5y h VAL 143 N 0.50 1.22 0.19 2.04 2.07 -1.19 -1.59 116.25 119.49 2b5y h VAL 143 Ca 0.12 -0.55 -0.32 0.00 0.82 0.00 0.00 66.70 66.77 2b5y h VAL 143 Cb 0.33 0.20 0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2b5y h VAL 143 CO 0.00 0.25 -1.37 0.17 0.02 0.00 0.00 177.57 176.64 2b5y h LEU 144 N 1.06 0.87 -1.26 2.57 8.10 -0.65 -1.66 115.31 124.34 2b5y h LEU 144 Ca 0.27 -0.87 0.01 0.00 0.11 0.00 0.00 57.88 57.40 2b5y h LEU 144 Cb 0.02 -0.28 -0.04 0.00 -0.44 0.00 0.00 40.66 39.92 2b5y h LEU 144 CO -0.04 1.67 0.51 0.00 -4.11 0.00 0.00 178.44 176.46 2b5y h ALA 145 N 0.22 1.48 -0.25 0.17 0.00 -0.41 -0.18 119.26 120.30 2b5y h ALA 145 Ca -0.22 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 2b5y h ALA 145 Cb 2.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2b5y h ALA 145 CO 0.26 0.47 -0.43 0.93 0.00 0.00 0.00 179.25 180.48 2b5y h GLU 146 N 1.01 0.61 0.25 0.00 5.08 -1.21 -3.35 114.58 116.96 2b5y h GLU 146 Ca 0.29 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2b5y h GLU 146 Cb -0.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2b5y h GLU 146 CO -0.07 0.92 -0.12 1.15 -1.00 0.00 0.00 179.01 179.90 2b5y h THR 147 N 0.50 0.63 0.00 1.13 2.02 -0.20 -3.51 112.91 113.47 2b5y h THR 147 Ca 0.04 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.32 2b5y h THR 147 Cb 0.95 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2b5y h THR 147 CO 0.09 0.15 0.00 -0.62 0.37 0.00 0.00 175.52 175.51