#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 3.91 0.59 0.03 1.02 -1.26 -5.05 119.74 118.99 2b5y s LYS 2 Ca 0.00 1.03 -0.19 0.00 0.02 0.00 0.00 55.97 56.83 2b5y s LYS 2 Cb 0.00 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 2b5y s LYS 2 CO 0.00 -0.30 1.21 -0.51 -0.92 0.00 0.00 175.35 174.83 2b5y s LEU 3 N -3.96 3.67 -1.47 3.17 1.43 -1.26 -3.37 118.68 116.89 2b5y s LEU 3 Ca 0.60 2.40 -0.03 0.00 -1.03 0.00 0.00 54.13 56.07 2b5y s LEU 3 Cb -0.11 -4.60 0.03 0.00 0.03 0.00 0.00 46.19 41.55 2b5y s LEU 3 CO 0.29 -1.61 0.47 -1.14 0.23 0.00 0.00 176.35 174.59 2b5y n ARG 4 N -1.59 -3.23 -4.10 1.70 3.00 0.39 -4.93 116.66 107.91 2b5y n ARG 4 Ca 0.14 0.39 -0.23 0.00 -0.00 0.00 0.00 57.85 58.15 2b5y n ARG 4 Cb 0.49 -4.60 -0.06 0.00 0.00 0.00 0.00 32.46 28.29 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 -6.66 2.49 0.48 -0.14 -2.07 -1.22 -4.78 119.66 107.77 2b5y s GLN 5 Ca 0.14 -1.42 -0.21 0.00 -1.82 0.00 0.00 55.36 52.06 2b5y s GLN 5 Cb -0.08 -2.27 -0.08 0.00 -1.09 0.00 0.00 33.01 29.49 2b5y s GLN 5 CO 0.90 0.20 1.06 -1.25 -1.32 0.00 0.00 175.29 174.87 2b5y s PRO 6 N -3.83 3.78 0.36 9.60 0.04 -1.26 -0.66 135.00 143.02 2b5y s PRO 6 Ca 0.36 1.43 -0.28 0.00 0.04 0.00 0.00 61.00 62.55 2b5y s PRO 6 Cb -0.05 -2.14 -0.11 0.00 0.04 0.00 0.00 34.50 32.24 2b5y s PRO 6 CO 0.23 -0.46 1.42 -0.12 0.04 0.00 0.00 177.00 178.11 2b5y n MET 7 N -0.89 2.50 -0.98 4.56 1.56 -0.40 -4.87 117.12 118.60 2b5y n MET 7 Ca 0.09 0.88 -0.31 0.00 -0.27 0.00 0.00 57.70 58.09 2b5y n MET 7 Cb 0.52 -2.56 0.26 0.00 2.15 0.00 0.00 33.22 33.59 2b5y n MET 7 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 2b5y s PRO 8 N -2.02 -1.82 0.00 2.12 0.04 -1.26 -4.91 135.00 127.16 2b5y s PRO 8 Ca 0.54 -0.19 0.18 0.00 0.04 0.00 0.00 61.00 61.57 2b5y s PRO 8 Cb -0.51 -1.54 1.08 0.00 0.04 0.00 0.00 34.50 33.58 2b5y s PRO 8 CO 0.63 -4.08 1.59 0.39 0.04 0.00 0.00 177.00 175.57 2b5y n GLU 9 N -5.00 0.83 -3.61 4.56 1.02 -1.26 -4.70 120.64 112.49 2b5y n GLU 9 Ca 0.15 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.03 2b5y n GLU 9 Cb 0.60 -1.34 0.04 0.00 -0.02 0.00 0.00 31.44 30.72 2b5y n GLU 9 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2b5y n LEU 10 N -0.84 -3.45 -4.63 -4.62 4.77 -1.26 -4.85 117.00 102.12 2b5y n LEU 10 Ca 0.14 -0.92 -0.32 0.00 -0.03 0.00 0.00 56.01 54.87 2b5y n LEU 10 Cb 0.06 -2.60 0.15 0.00 -2.33 0.00 0.00 43.42 38.70 2b5y n LEU 10 CO 0.10 0.38 0.55 0.35 -1.33 0.00 0.00 177.39 177.45 2b5y n THR 11 N -4.01 0.49 -3.70 -5.08 -2.24 -1.26 -5.02 114.28 93.46 2b5y n THR 11 Ca -0.13 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2b5y n THR 11 Cb 0.61 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 2b5y n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b5y n GLY 12 N 0.58 -1.23 1.95 3.38 0.00 -1.26 -4.40 105.19 104.21 2b5y n GLY 12 Ca 0.11 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2b5y n GLY 12 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2b5y n GLU 13 N 0.00 0.00 -0.17 1.61 2.13 -0.64 -4.85 120.64 118.71 2b5y n GLU 13 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 2b5y n GLU 13 Cb 0.00 -0.02 0.03 0.00 0.27 0.00 0.00 31.44 31.71 2b5y n GLU 13 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2b5y h LYS 14 N 0.00 1.00 0.00 5.31 3.11 -1.90 -3.44 116.57 120.65 2b5y h LYS 14 Ca 0.00 -0.38 0.00 0.00 -2.81 0.00 0.00 60.65 57.46 2b5y h LYS 14 Cb 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.17 2b5y h LYS 14 CO 0.00 1.06 0.00 0.00 -2.81 0.00 0.00 179.45 177.70 2b5y n ALA 15 N -2.50 0.00 -1.64 5.00 0.00 -0.26 -4.78 120.51 116.33 2b5y n ALA 15 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.00 2b5y n ALA 15 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 2b5y n ALA 15 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 2b5y n TRP 16 N 0.00 1.80 -3.76 0.00 4.27 -1.25 -0.70 117.44 117.80 2b5y n TRP 16 Ca 0.00 0.58 -0.13 0.00 -3.89 0.00 0.00 57.50 54.06 2b5y n TRP 16 Cb 0.00 -2.36 -0.10 0.00 -1.36 0.00 0.00 31.31 27.49 2b5y n TRP 16 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2b5y s LEU 17 N 0.02 0.80 0.00 5.67 2.96 -0.26 -4.87 118.68 123.00 2b5y s LEU 17 Ca 0.63 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 2b5y s LEU 17 Cb -0.68 1.20 0.00 0.00 0.50 0.00 0.00 46.19 47.21 2b5y s LEU 17 CO 0.56 -0.28 0.00 0.59 -1.32 0.00 0.00 176.35 175.90 2b5y n ASN 18 N 2.09 0.00 0.00 3.68 3.02 -1.26 -0.99 115.26 121.80 2b5y n ASN 18 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 2b5y n ASN 18 Cb 0.57 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 2b5y n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b5y n GLY 19 N -1.80 4.40 3.84 7.41 0.00 -1.26 -4.77 105.19 113.02 2b5y n GLY 19 Ca 0.00 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.36 4.05 0.35 1.61 1.03 -1.26 -4.20 118.70 116.91 2b5y s GLU 20 Ca 0.00 0.85 -0.07 0.00 0.03 0.00 0.00 54.97 55.78 2b5y s GLU 20 Cb 0.00 -2.29 0.02 0.00 -0.80 0.00 0.00 34.13 31.06 2b5y s GLU 20 CO 0.00 -0.00 0.56 0.14 -1.33 0.00 0.00 175.26 174.63 2b5y s VAL 21 N -2.20 0.00 0.35 1.83 -7.23 -1.26 -5.09 120.40 106.79 2b5y s VAL 21 Ca 0.57 -1.42 0.07 0.00 -1.81 0.00 0.00 61.98 59.40 2b5y s VAL 21 Cb -0.10 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 2b5y s VAL 21 CO 0.20 0.00 0.27 0.42 -0.31 0.00 0.00 175.10 175.68 2b5y s THR 22 N -2.90 0.05 0.15 5.32 -4.23 -1.26 -4.99 115.64 107.78 2b5y s THR 22 Ca 0.26 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.60 2b5y s THR 22 Cb -0.02 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.38 2b5y s THR 22 CO 0.17 0.00 1.71 -0.09 -0.54 0.00 0.00 174.62 175.87 2b5y h ARG 23 N 2.07 0.10 0.00 3.99 2.43 -1.89 -3.17 114.38 117.91 2b5y h ARG 23 Ca -0.25 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.80 2b5y h ARG 23 Cb 1.24 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 2b5y h ARG 23 CO 0.37 0.07 -0.53 0.93 -1.51 0.00 0.00 179.97 179.30 2b5y h GLU 24 N 0.10 0.00 0.00 0.20 4.39 -1.96 -2.60 114.58 114.71 2b5y h GLU 24 Ca 0.16 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 2b5y h GLU 24 Cb 0.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2b5y h GLU 24 CO -0.26 0.53 -0.13 1.96 -1.16 0.00 0.00 179.01 179.95 2b5y h GLN 25 N 0.00 0.00 0.00 2.33 1.08 -1.93 -3.24 115.11 113.35 2b5y h GLN 25 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2b5y h GLN 25 Cb 1.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 2b5y h GLN 25 CO 0.07 0.13 0.00 1.47 -0.95 0.00 0.00 178.83 179.55 2b5y n LEU 26 N -4.16 0.10 -4.75 1.46 -0.00 -1.23 -4.98 117.00 103.43 2b5y n LEU 26 Ca -0.02 -0.35 -0.33 0.00 -0.00 0.00 0.00 56.01 55.31 2b5y n LEU 26 Cb 0.21 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.71 2b5y n LEU 26 CO 0.34 0.02 0.73 -0.63 -0.00 0.00 0.00 177.39 177.86 2b5y s ILE 27 N -0.51 2.97 0.00 1.47 -1.09 -0.98 -4.67 121.20 118.39 2b5y s ILE 27 Ca 0.00 0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.82 2b5y s ILE 27 Cb 0.00 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 38.01 2b5y s ILE 27 CO 0.00 -0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.00 2b5y n GLY 28 N -0.45 2.97 0.00 6.18 0.00 -0.85 -4.93 105.19 108.11 2b5y n GLY 28 Ca 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 2.38 -4.37 1.61 2.13 -1.24 -4.84 120.64 116.31 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 -0.11 0.00 0.27 0.00 0.00 31.44 31.31 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 -0.33 3.29 1.02 5.31 3.01 -1.26 -4.80 119.74 125.98 2b5y s LYS 30 Ca 0.00 -0.45 -0.11 0.00 -1.01 0.00 0.00 55.97 54.40 2b5y s LYS 30 Cb 0.00 -2.86 0.20 0.00 -1.01 0.00 0.00 37.83 34.17 2b5y s LYS 30 CO 0.00 0.50 1.09 -0.35 0.51 0.00 0.00 175.35 177.10 2b5y n PRO 31 N 2.76 -1.26 -4.55 -1.68 -0.04 -1.26 -4.23 135.00 124.73 2b5y n PRO 31 Ca -0.18 -0.31 -0.22 0.00 -0.04 0.00 0.00 63.50 62.75 2b5y n PRO 31 Cb 0.53 -2.29 -0.15 0.00 -0.04 0.00 0.00 33.50 31.55 2b5y n PRO 31 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2b5y s THR 32 N -2.55 0.99 -0.10 0.52 2.01 -0.42 -0.50 115.64 115.60 2b5y s THR 32 Ca 0.68 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 62.19 2b5y s THR 32 Cb -0.24 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 2b5y s THR 32 CO 0.61 0.29 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.43 2b5y s LEU 33 N -0.11 2.47 -0.11 4.42 2.96 -0.36 -0.47 118.68 127.48 2b5y s LEU 33 Ca 0.01 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.51 2b5y s LEU 33 Cb -0.07 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2b5y s LEU 33 CO 0.00 0.21 0.00 -0.63 -1.32 0.00 0.00 176.35 174.61 2b5y s ILE 34 N 0.07 4.29 -0.08 6.68 1.01 -0.28 -1.02 121.20 131.88 2b5y s ILE 34 Ca -0.08 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.35 2b5y s ILE 34 Cb -0.15 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.50 2b5y s ILE 34 CO 0.05 0.57 -0.12 -1.38 0.00 0.00 0.00 174.94 174.05 2b5y s HIS 35 N -0.50 1.58 0.14 3.97 -3.43 -0.92 -1.32 115.29 114.80 2b5y s HIS 35 Ca 0.09 -0.64 -0.25 0.00 -0.80 0.00 0.00 55.06 53.46 2b5y s HIS 35 Cb -0.12 -1.17 -0.07 0.00 -1.43 0.00 0.00 32.58 29.79 2b5y s HIS 35 CO 0.02 -0.34 0.76 -0.06 -2.00 0.00 0.00 174.74 173.11 2b5y s PHE 36 N 0.84 3.87 0.39 0.38 0.40 0.41 -0.43 117.98 123.84 2b5y s PHE 36 Ca -0.11 1.57 -0.15 0.00 -0.60 0.00 0.00 56.93 57.64 2b5y s PHE 36 Cb -0.15 -2.75 0.06 0.00 0.51 0.00 0.00 43.02 40.68 2b5y s PHE 36 CO 0.01 0.48 0.80 1.67 0.70 0.00 0.00 175.22 178.88 2b5y s TRP 37 N -0.94 0.13 0.15 0.36 1.48 -0.58 -2.65 118.94 116.89 2b5y s TRP 37 Ca 0.36 -0.82 -0.18 0.00 -1.06 0.00 0.00 56.10 54.39 2b5y s TRP 37 Cb -0.22 0.85 0.04 0.00 -1.16 0.00 0.00 33.47 32.98 2b5y s TRP 37 CO 0.25 -1.59 0.48 -1.12 -4.06 0.00 0.00 176.95 170.91 2b5y s SER 38 N -3.08 -0.33 0.00 -2.66 0.01 -1.26 -2.28 113.70 104.09 2b5y s SER 38 Ca 0.16 -0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.20 2b5y s SER 38 Cb -0.05 0.52 0.16 0.00 0.21 0.00 0.00 66.02 66.86 2b5y s SER 38 CO 0.12 -0.92 1.12 2.30 0.41 0.00 0.00 173.24 176.27 2b5y n ILE 39 N -0.29 1.75 -3.01 1.44 -5.35 -1.26 -3.83 119.36 108.81 2b5y n ILE 39 Ca -0.15 0.44 -0.15 0.00 -0.27 0.00 0.00 62.75 62.62 2b5y n ILE 39 Cb 0.64 -1.38 0.01 0.00 -1.74 0.00 0.00 39.64 37.17 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 -1.51 -0.43 -3.91 7.28 7.64 -1.26 -5.00 113.62 116.43 2b5y n SER 40 Ca 0.01 -3.26 -0.11 0.00 1.01 0.00 0.00 58.87 56.52 2b5y n SER 40 Cb 0.04 0.36 -0.11 0.00 -1.01 0.00 0.00 64.21 63.49 2b5y n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b5y h HIS 42 N 4.96 0.00 0.00 0.00 2.76 -1.99 -2.18 115.15 118.70 2b5y h HIS 42 Ca -0.29 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.88 2b5y h HIS 42 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 2b5y h HIS 42 CO 0.57 0.00 -0.33 1.28 -1.30 0.00 0.00 177.93 178.14 2b5y n LEU 43 N -3.09 0.02 0.25 0.26 7.99 -1.26 -4.56 117.00 116.61 2b5y n LEU 43 Ca -0.03 -0.35 0.07 0.00 -0.01 0.00 0.00 56.01 55.70 2b5y n LEU 43 Cb 0.08 0.00 0.61 0.00 -0.11 0.00 0.00 43.42 44.00 2b5y n LEU 43 CO 0.20 0.01 1.04 0.00 -1.51 0.00 0.00 177.39 177.13 2b5y h LYS 45 N 0.00 0.00 0.00 0.00 -0.00 -1.75 -0.99 116.57 113.83 2b5y h LYS 45 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 60.65 60.42 2b5y h LYS 45 Cb 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.25 2b5y h LYS 45 CO 0.00 0.00 -1.55 0.39 -0.00 0.00 0.00 179.45 178.30 2b5y n GLU 46 N -2.96 0.62 0.15 0.07 -0.58 -0.22 -4.22 120.64 113.51 2b5y n GLU 46 Ca -0.01 0.26 -0.14 0.00 -0.42 0.00 0.00 57.16 56.85 2b5y n GLU 46 Cb 0.19 -1.80 -0.08 0.00 -0.57 0.00 0.00 31.44 29.18 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 1.22 -0.32 -0.74 0.62 0.00 -0.68 -2.83 119.26 116.53 2b5y h ALA 47 Ca -0.22 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.66 2b5y h ALA 47 Cb 1.79 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.64 2b5y h ALA 47 CO 0.06 -0.64 0.43 0.00 0.00 0.00 0.00 179.25 179.10 2b5y h MET 48 N -0.40 0.76 -0.42 0.00 -0.00 -1.40 0.21 114.93 113.68 2b5y h MET 48 Ca -0.03 -0.05 -0.14 0.00 -0.00 0.00 0.00 59.70 59.48 2b5y h MET 48 Cb 0.30 -0.17 -0.01 0.00 -0.00 0.00 0.00 31.60 31.72 2b5y h MET 48 CO 0.05 0.50 -0.29 -1.00 -0.00 0.00 0.00 176.91 176.17 2b5y h PRO 49 N 0.78 0.94 -0.16 -0.10 0.13 -1.75 -2.80 132.00 129.04 2b5y h PRO 49 Ca 0.33 -0.45 -0.18 0.00 -0.87 0.00 0.00 66.00 64.83 2b5y h PRO 49 Cb 0.21 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.33 2b5y h PRO 49 CO -0.19 1.11 -0.63 0.37 -0.23 0.00 0.00 178.00 178.43 2b5y h GLN 50 N 0.77 0.57 -0.06 0.86 4.15 -1.03 -1.72 115.11 118.65 2b5y h GLN 50 Ca 0.08 -0.40 0.02 0.00 0.77 0.00 0.00 58.65 59.12 2b5y h GLN 50 Cb 0.88 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.61 2b5y h GLN 50 CO 0.08 1.02 -0.07 0.28 -1.93 0.00 0.00 178.83 178.21 2b5y h VAL 51 N 0.42 0.80 -0.56 2.39 2.07 -0.68 0.71 116.25 121.39 2b5y h VAL 51 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2b5y h VAL 51 Cb 1.20 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 2b5y h VAL 51 CO 0.12 0.00 0.28 -1.13 0.02 0.00 0.00 177.57 176.86 2b5y h ASN 52 N -0.09 0.40 0.58 0.57 -1.24 -1.26 -0.82 115.58 113.72 2b5y h ASN 52 Ca 0.05 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.07 2b5y h ASN 52 Cb 0.17 -0.04 0.01 0.00 0.73 0.00 0.00 38.32 39.18 2b5y h ASN 52 CO -0.12 0.27 -0.28 -0.33 -1.29 0.00 0.00 177.43 175.68 2b5y h GLU 53 N 0.54 -0.75 -0.06 6.67 5.08 -0.76 -2.24 114.58 123.07 2b5y h GLU 53 Ca 0.25 0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2b5y h GLU 53 Cb 0.17 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2b5y h GLU 53 CO -0.18 -0.50 -0.21 0.27 -1.00 0.00 0.00 179.01 177.40 2b5y h PHE 54 N -0.80 0.10 -0.23 4.33 -5.15 -0.84 -0.54 116.94 113.81 2b5y h PHE 54 Ca -0.08 -0.01 0.02 0.00 -0.20 0.00 0.00 57.97 57.70 2b5y h PHE 54 Cb 0.59 -0.03 -0.02 0.00 0.22 0.00 0.00 35.95 36.71 2b5y h PHE 54 CO 0.09 0.30 0.07 -0.09 -2.00 0.00 0.00 178.31 176.68 2b5y h ARG 55 N 0.09 0.17 -0.44 6.09 1.12 -1.16 -0.74 114.38 119.50 2b5y h ARG 55 Ca 0.02 -0.01 -0.13 0.00 -1.11 0.00 0.00 59.98 58.75 2b5y h ARG 55 Cb 0.42 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.33 2b5y h ARG 55 CO 0.03 0.11 -0.22 0.22 -3.11 0.00 0.00 179.97 177.00 2b5y h ASP 56 N 0.17 0.96 -0.21 -3.80 3.58 -0.54 0.27 116.42 116.85 2b5y h ASP 56 Ca 0.10 -0.41 -0.03 0.00 0.42 0.00 0.00 57.03 57.11 2b5y h ASP 56 Cb 0.07 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 2b5y h ASP 56 CO -0.11 1.16 0.05 0.11 -2.88 0.00 0.00 179.24 177.57 2b5y h LYS 57 N 0.77 0.42 0.00 0.28 1.57 -1.00 -3.33 116.57 115.29 2b5y h LYS 57 Ca 0.10 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2b5y h LYS 57 Cb 0.80 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2b5y h LYS 57 CO 0.07 0.41 0.00 0.66 -0.57 0.00 0.00 179.45 180.02 2b5y n TYR 58 N -4.35 0.00 -0.26 -1.35 4.01 -0.30 -4.87 117.16 110.04 2b5y n TYR 58 Ca 0.01 -0.24 0.32 0.00 -0.16 0.00 0.00 57.90 57.83 2b5y n TYR 58 Cb 0.18 -0.02 0.73 0.00 -0.31 0.00 0.00 39.34 39.92 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 0.00 0.01 -0.00 -0.72 -0.00 -0.58 0.26 115.11 114.08 2b5y h GLN 59 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2b5y h GLN 59 Cb 0.47 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.95 2b5y h GLN 59 CO 0.00 0.01 -0.30 -3.47 -0.00 0.00 0.00 178.83 175.07 2b5y n ASP 60 N -4.23 0.70 0.00 0.06 2.03 -1.26 -4.18 116.55 109.67 2b5y n ASP 60 Ca 0.23 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.99 2b5y n ASP 60 Cb 1.12 0.10 0.00 0.00 -0.72 0.00 0.00 41.12 41.62 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 3.43 -3.76 -0.67 6.02 0.68 -5.00 117.38 117.05 2b5y n GLN 61 Ca 0.10 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.97 2b5y n GLN 61 Cb 0.33 -0.68 -0.12 0.00 1.02 0.00 0.00 30.24 30.79 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 -2.17 0.69 0.06 1.08 2.96 0.22 -4.20 118.68 117.32 2b5y s LEU 62 Ca 0.00 0.57 -0.16 0.00 -0.22 0.00 0.00 54.13 54.32 2b5y s LEU 62 Cb 0.00 0.91 -0.06 0.00 0.50 0.00 0.00 46.19 47.53 2b5y s LEU 62 CO 0.00 -0.13 0.49 0.20 -1.32 0.00 0.00 176.35 175.59 2b5y s ASN 63 N 0.61 6.89 -0.05 3.68 0.01 0.34 -4.37 114.94 122.06 2b5y s ASN 63 Ca -0.04 1.08 0.03 0.00 -0.71 0.00 0.00 52.86 53.22 2b5y s ASN 63 Cb -0.05 -2.29 0.01 0.00 0.41 0.00 0.00 41.25 39.32 2b5y s ASN 63 CO -0.04 0.26 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.99 2b5y s VAL 64 N -1.18 1.17 0.11 1.60 1.01 -1.26 -1.22 120.40 120.62 2b5y s VAL 64 Ca 0.29 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2b5y s VAL 64 Cb -0.17 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2b5y s VAL 64 CO 0.17 0.35 -0.09 0.68 0.00 0.00 0.00 175.10 176.22 2b5y s VAL 65 N 0.39 0.89 0.16 2.92 -7.23 -0.19 -4.23 120.40 113.12 2b5y s VAL 65 Ca -0.09 -1.83 0.06 0.00 -1.81 0.00 0.00 61.98 58.31 2b5y s VAL 65 Cb -0.13 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 2b5y s VAL 65 CO 0.03 -0.71 -0.12 0.00 -0.31 0.00 0.00 175.10 173.99 2b5y s ALA 66 N -3.04 1.63 -0.06 1.32 0.00 -0.24 -2.17 121.76 119.19 2b5y s ALA 66 Ca 0.10 -1.51 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 2b5y s ALA 66 Cb 0.01 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.14 2b5y s ALA 66 CO -0.02 -0.01 0.01 0.08 0.00 0.00 0.00 175.76 175.82 2b5y s VAL 67 N -3.02 0.32 -0.49 0.00 1.01 0.43 -0.27 120.40 118.37 2b5y s VAL 67 Ca 0.17 0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.13 2b5y s VAL 67 Cb 0.00 -0.47 0.08 0.00 0.00 0.00 0.00 36.38 35.99 2b5y s VAL 67 CO 0.03 0.24 0.45 -2.28 0.00 0.00 0.00 175.10 173.54 2b5y s HIS 68 N 1.87 3.21 -0.02 5.22 2.46 0.06 -1.52 115.29 126.57 2b5y s HIS 68 Ca 0.03 -0.90 -0.30 0.00 0.47 0.00 0.00 55.06 54.36 2b5y s HIS 68 Cb -0.12 -3.31 -0.07 0.00 -0.13 0.00 0.00 32.58 28.94 2b5y s HIS 68 CO -0.04 -0.87 1.86 -1.64 -2.47 0.00 0.00 174.74 171.57 2b5y s MET 69 N 1.83 4.09 -1.31 2.88 -1.94 -0.97 -4.41 119.30 119.47 2b5y s MET 69 Ca 0.06 2.40 -0.12 0.00 -1.71 0.00 0.00 55.69 56.32 2b5y s MET 69 Cb -0.24 -4.11 -0.05 0.00 2.01 0.00 0.00 34.83 32.44 2b5y s MET 69 CO 0.07 -0.99 2.42 -0.35 -0.01 0.00 0.00 175.02 176.16 2b5y n PRO 70 N 7.46 2.79 0.27 2.03 -0.04 -1.26 -4.71 135.00 141.56 2b5y n PRO 70 Ca 0.19 -2.12 0.11 0.00 -0.04 0.00 0.00 63.50 61.64 2b5y n PRO 70 Cb 0.42 -2.90 0.74 0.00 -0.04 0.00 0.00 33.50 31.72 2b5y n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b5y h ARG 71 N 6.00 0.00 -2.97 0.54 3.08 -1.90 -3.45 114.38 115.69 2b5y h ARG 71 Ca 0.64 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.74 2b5y h ARG 71 Cb 0.43 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 2b5y h ARG 71 CO 1.78 0.03 0.26 -1.12 -1.07 0.00 0.00 179.97 179.85 2b5y s SER 72 N -6.64 -0.18 0.24 7.04 0.01 -1.26 -5.00 113.70 107.91 2b5y s SER 72 Ca -0.05 -0.74 -0.06 0.00 1.31 0.00 0.00 55.95 56.42 2b5y s SER 72 Cb 0.16 0.75 0.35 0.00 0.21 0.00 0.00 66.02 67.49 2b5y s SER 72 CO 0.62 -1.42 1.82 -0.33 0.41 0.00 0.00 173.24 174.35 2b5y h GLU 73 N 2.00 0.81 -0.06 12.44 3.07 -1.99 -1.09 114.58 129.76 2b5y h GLU 73 Ca -0.23 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 2b5y h GLU 73 Cb 1.25 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 2b5y h GLU 73 CO 0.28 0.53 0.00 -3.47 -1.40 0.00 0.00 179.01 174.95 2b5y n ASP 74 N -4.71 0.06 0.00 1.42 2.03 -1.26 -1.68 116.55 112.41 2b5y n ASP 74 Ca 0.12 -1.47 0.00 0.00 0.52 0.00 0.00 54.79 53.97 2b5y n ASP 74 Cb 0.23 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 2b5y n ASP 74 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2b5y n ASP 75 N -0.45 0.93 0.00 1.67 8.00 -0.43 -4.62 116.55 121.65 2b5y n ASP 75 Ca 0.00 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.11 2b5y n ASP 75 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2b5y n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b5y n LEU 76 N -0.20 0.33 -4.46 0.64 -0.00 -0.77 -3.98 117.00 108.56 2b5y n LEU 76 Ca 0.00 -0.47 -0.48 0.00 -0.00 0.00 0.00 56.01 55.05 2b5y n LEU 76 Cb 0.30 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.65 2b5y n LEU 76 CO 0.00 0.08 1.86 -0.67 -0.00 0.00 0.00 177.39 178.67 2b5y n ASP 77 N -0.28 2.01 0.29 1.45 -0.08 -0.68 -4.85 116.55 114.40 2b5y n ASP 77 Ca 0.00 0.29 0.18 0.00 -1.51 0.00 0.00 54.79 53.74 2b5y n ASP 77 Cb 0.05 -1.27 0.79 0.00 2.34 0.00 0.00 41.12 43.03 2b5y n ASP 77 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2b5y h PRO 78 N 13.18 0.00 0.11 -0.67 0.13 -1.96 -2.76 132.00 140.03 2b5y h PRO 78 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 2b5y h PRO 78 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2b5y h PRO 78 CO 1.06 0.03 -0.05 0.78 -0.23 0.00 0.00 178.00 179.59 2b5y h GLY 79 N 1.49 -0.15 1.69 1.56 0.00 -1.99 -2.23 103.07 103.44 2b5y h GLY 79 Ca -0.00 0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 2b5y h GLY 79 CO 0.00 -0.06 -0.58 1.70 0.00 0.00 0.00 176.54 177.61 2b5y h LYS 80 N -0.70 0.33 0.05 4.80 3.64 -1.94 0.15 116.57 122.90 2b5y h LYS 80 Ca -0.01 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2b5y h LYS 80 Cb 0.53 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2b5y h LYS 80 CO 0.02 0.81 -0.02 0.82 -2.27 0.00 0.00 179.45 178.81 2b5y h ILE 81 N 0.25 1.03 -0.12 2.00 2.04 -1.56 0.01 117.51 121.16 2b5y h ILE 81 Ca -0.00 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.63 2b5y h ILE 81 Cb 1.08 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 2b5y h ILE 81 CO 0.09 0.06 -0.05 0.50 0.00 0.00 0.00 178.15 178.76 2b5y h LYS 82 N -0.18 -0.03 -0.31 2.37 1.63 -1.25 -0.43 116.57 118.38 2b5y h LYS 82 Ca -0.01 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 2b5y h LYS 82 Cb 0.15 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 2b5y h LYS 82 CO 0.01 -0.02 0.07 0.93 -3.45 0.00 0.00 179.45 176.99 2b5y h GLU 83 N -0.03 0.49 -0.27 1.90 5.08 -0.42 0.41 114.58 121.75 2b5y h GLU 83 Ca 0.07 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2b5y h GLU 83 Cb 0.13 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2b5y h GLU 83 CO -0.14 0.57 -0.07 1.15 -1.00 0.00 0.00 179.01 179.52 2b5y h THR 84 N 0.33 1.20 -0.26 1.13 2.02 -0.97 -0.60 112.91 115.76 2b5y h THR 84 Ca 0.10 -0.82 -0.05 0.00 0.77 0.00 0.00 66.41 66.40 2b5y h THR 84 Cb 0.30 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2b5y h THR 84 CO 0.00 0.27 -0.06 0.00 0.37 0.00 0.00 175.52 176.10 2b5y h ALA 85 N 1.54 1.43 -0.21 6.16 0.00 -0.20 -1.86 119.26 126.12 2b5y h ALA 85 Ca 0.08 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 2b5y h ALA 85 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2b5y h ALA 85 CO 0.02 0.40 -0.59 0.00 0.00 0.00 0.00 179.25 179.08 2b5y h ALA 86 N 1.56 0.36 0.00 0.00 0.00 -0.01 0.11 119.26 121.29 2b5y h ALA 86 Ca 0.08 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2b5y h ALA 86 Cb 0.35 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2b5y h ALA 86 CO 0.02 0.60 -0.24 0.93 0.00 0.00 0.00 179.25 180.55 2b5y h GLU 87 N 0.51 0.00 0.00 0.00 4.39 -0.55 -3.00 114.58 115.93 2b5y h GLU 87 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2b5y h GLU 87 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2b5y h GLU 87 CO 0.13 0.24 -0.01 0.72 -1.16 0.00 0.00 179.01 178.93 2b5y n HIS 88 N -3.53 0.00 -3.90 4.33 8.25 -0.76 -5.01 115.22 114.61 2b5y n HIS 88 Ca -0.01 -0.64 -0.29 0.00 -0.26 0.00 0.00 57.72 56.52 2b5y n HIS 88 Cb 0.40 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.80 -4.15 -3.66 0.41 2.03 -0.65 -4.73 116.55 105.00 2b5y n ASP 89 Ca 0.06 -0.80 -0.42 0.00 0.52 0.00 0.00 54.79 54.15 2b5y n ASP 89 Cb 0.41 -3.85 -0.00 0.00 -0.72 0.00 0.00 41.12 36.95 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 -4.62 3.60 0.48 5.18 5.41 0.31 -4.68 119.36 125.05 2b5y n ILE 90 Ca -0.01 -2.95 0.10 0.00 1.00 0.00 0.00 62.75 60.89 2b5y n ILE 90 Cb 0.55 -2.61 0.15 0.00 -0.71 0.00 0.00 39.64 37.02 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 4.83 0.32 -1.15 1.39 -2.24 -1.26 -4.82 114.28 111.35 2b5y n THR 91 Ca 0.56 -0.66 -0.31 0.00 -2.27 0.00 0.00 64.05 61.37 2b5y n THR 91 Cb 0.36 1.13 0.11 0.00 -2.10 0.00 0.00 70.33 69.84 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 -1.49 1.92 0.15 -0.78 0.00 -1.26 -4.88 119.66 113.31 2b5y s GLN 92 Ca 0.30 1.36 -0.34 0.00 -0.00 0.00 0.00 55.36 56.68 2b5y s GLN 92 Cb 0.19 -1.84 -0.15 0.00 0.00 0.00 0.00 33.01 31.20 2b5y s GLN 92 CO 0.27 -1.93 1.33 -2.30 0.00 0.00 0.00 175.29 172.66 2b5y n PRO 93 N -3.57 1.45 -4.74 9.60 -0.02 -1.26 -4.71 135.00 131.76 2b5y n PRO 93 Ca 0.10 0.52 -0.24 0.00 -2.02 0.00 0.00 63.50 61.86 2b5y n PRO 93 Cb 0.52 -2.13 -0.15 0.00 -0.02 0.00 0.00 33.50 31.72 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 0.23 1.40 -0.38 4.25 1.01 -0.16 -1.08 121.20 126.47 2b5y s ILE 94 Ca 0.77 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 60.57 2b5y s ILE 94 Cb -0.83 -1.18 0.11 0.00 0.01 0.00 0.00 42.46 40.56 2b5y s ILE 94 CO 0.48 0.31 0.13 -0.36 0.00 0.00 0.00 174.94 175.49 2b5y s PHE 95 N -0.54 3.68 -1.88 3.97 0.40 0.62 -1.10 117.98 123.13 2b5y s PHE 95 Ca 0.06 -2.75 0.12 0.00 -0.60 0.00 0.00 56.93 53.76 2b5y s PHE 95 Cb -0.07 -3.06 0.67 0.00 0.51 0.00 0.00 43.02 41.06 2b5y s PHE 95 CO 0.00 -0.96 1.16 0.28 0.70 0.00 0.00 175.22 176.40 2b5y n VAL 96 N 4.37 0.15 0.00 -0.44 0.31 0.12 -0.76 118.33 122.09 2b5y n VAL 96 Ca 0.01 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2b5y n VAL 96 Cb 0.41 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 2b5y n VAL 96 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2b5y n ASP 97 N -1.06 0.00 0.00 4.52 -0.08 -1.26 -4.44 116.55 114.23 2b5y n ASP 97 Ca 0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 2b5y n ASP 97 Cb 0.05 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.51 2b5y n ASP 97 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2b5y n SER 98 N 5.31 0.00 -2.77 1.67 3.41 -1.26 -1.10 113.62 118.87 2b5y n SER 98 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 2b5y n SER 98 Cb 0.00 0.37 0.02 0.00 -0.26 0.00 0.00 64.21 64.33 2b5y n SER 98 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2b5y s ASP 99 N -1.78 -1.06 -1.12 4.04 2.15 -1.26 -4.89 116.67 112.75 2b5y s ASP 99 Ca 0.00 -1.17 0.00 0.00 0.43 0.00 0.00 52.55 51.81 2b5y s ASP 99 Cb 0.00 1.38 0.00 0.00 -0.30 0.00 0.00 42.92 44.00 2b5y s ASP 99 CO 0.00 -0.05 0.00 0.00 -0.17 0.00 0.00 175.17 174.95 2b5y n HIS 100 N 2.99 -0.66 0.09 -5.34 1.44 -1.26 -4.87 115.22 107.61 2b5y n HIS 100 Ca 0.15 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.74 2b5y n HIS 100 Cb 0.59 -2.35 -0.06 0.00 0.12 0.00 0.00 29.99 28.30 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 0.97 -0.27 -0.64 1.59 0.00 -1.95 -0.84 119.26 118.12 2b5y h ALA 101 Ca -0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2b5y h ALA 101 Cb 0.80 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2b5y h ALA 101 CO 0.32 -0.69 0.37 1.25 0.00 0.00 0.00 179.25 180.51 2b5y h LEU 102 N -0.32 0.76 -0.87 0.00 6.46 -1.90 -1.26 115.31 118.19 2b5y h LEU 102 Ca 0.03 -0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2b5y h LEU 102 Cb 0.34 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 2b5y h LEU 102 CO -0.10 0.60 0.57 0.74 -0.62 0.00 0.00 178.44 179.63 2b5y h THR 103 N 0.88 1.21 0.00 1.05 2.02 -1.60 -1.38 112.91 115.09 2b5y h THR 103 Ca 0.23 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 2b5y h THR 103 Cb -0.01 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.33 2b5y h THR 103 CO -0.04 0.21 -0.30 -0.78 0.37 0.00 0.00 175.52 174.98 2b5y h ASP 104 N 1.17 0.00 0.32 4.18 3.58 -0.53 -0.53 116.42 124.60 2b5y h ASP 104 Ca 0.32 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.65 2b5y h ASP 104 Cb -0.12 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 2b5y h ASP 104 CO -0.07 0.27 -0.48 0.00 -2.88 0.00 0.00 179.24 176.08 2b5y h ALA 105 N 1.73 1.05 0.00 -0.78 0.00 -0.15 -3.29 119.26 117.82 2b5y h ALA 105 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2b5y h ALA 105 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2b5y h ALA 105 CO 0.03 0.63 -0.21 1.97 0.00 0.00 0.00 179.25 181.67 2b5y n PHE 106 N -3.97 0.00 -3.87 0.00 -1.74 -0.92 -4.97 117.46 101.99 2b5y n PHE 106 Ca -0.02 -0.44 -0.26 0.00 -0.56 0.00 0.00 57.45 56.17 2b5y n PHE 106 Cb 0.52 -0.08 -0.05 0.00 1.52 0.00 0.00 39.48 41.39 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 -0.61 -0.79 -1.92 3.97 1.02 -0.32 -3.94 120.64 118.05 2b5y n GLU 107 Ca 0.06 0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.82 2b5y n GLU 107 Cb 0.62 -2.24 0.01 0.00 -0.02 0.00 0.00 31.44 29.80 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 -3.98 6.12 0.00 1.62 3.84 -0.56 -4.89 114.94 117.08 2b5y s ASN 108 Ca 0.11 2.81 0.00 0.00 0.21 0.00 0.00 52.86 55.99 2b5y s ASN 108 Cb -0.06 -2.65 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 2b5y s ASN 108 CO 0.72 -1.00 0.52 -0.62 -2.79 0.00 0.00 177.10 173.93 2b5y n GLU 109 N 0.01 0.55 -3.85 0.43 1.02 -1.26 -4.84 120.64 112.71 2b5y n GLU 109 Ca 0.04 -0.62 -0.12 0.00 -0.02 0.00 0.00 57.16 56.44 2b5y n GLU 109 Cb 0.42 -0.63 -0.12 0.00 -0.02 0.00 0.00 31.44 31.10 2b5y n GLU 109 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2b5y s TYR 110 N -0.20 -0.06 -0.15 -0.32 1.51 -1.26 -5.12 117.35 111.75 2b5y s TYR 110 Ca 0.00 0.14 -0.14 0.00 -1.01 0.00 0.00 57.07 56.06 2b5y s TYR 110 Cb 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 41.96 41.75 2b5y s TYR 110 CO 0.00 -0.15 0.10 0.28 -1.11 0.00 0.00 175.55 174.67 2b5y h VAL 111 N 4.70 0.51 -0.45 0.71 2.07 -1.98 -3.37 116.25 118.44 2b5y h VAL 111 Ca -0.27 -1.53 -0.28 0.00 0.82 0.00 0.00 66.70 65.44 2b5y h VAL 111 Cb 1.20 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 2b5y h VAL 111 CO 0.42 0.17 0.88 -2.16 0.02 0.00 0.00 177.57 176.89 2b5y s PRO 112 N -2.14 2.31 0.02 1.57 0.04 -1.26 -3.36 135.00 132.18 2b5y s PRO 112 Ca -0.17 -0.93 -0.00 0.00 0.04 0.00 0.00 61.00 59.95 2b5y s PRO 112 Cb 0.02 -5.18 -0.02 0.00 0.04 0.00 0.00 34.50 29.37 2b5y s PRO 112 CO 0.35 -4.12 -0.03 0.00 0.04 0.00 0.00 177.00 173.25 2b5y s ALA 113 N 11.77 0.11 -0.05 8.56 0.00 -1.08 -1.38 121.76 139.69 2b5y s ALA 113 Ca 0.71 -0.57 -0.06 0.00 0.00 0.00 0.00 51.96 52.04 2b5y s ALA 113 Cb -0.02 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.26 2b5y s ALA 113 CO 0.12 -0.16 0.16 0.71 0.00 0.00 0.00 175.76 176.59 2b5y s TYR 114 N -1.42 -0.14 -0.10 0.00 2.02 -0.09 -0.45 117.35 117.18 2b5y s TYR 114 Ca -0.16 0.33 -0.03 0.00 -0.37 0.00 0.00 57.07 56.85 2b5y s TYR 114 Cb -0.10 0.04 0.04 0.00 -0.40 0.00 0.00 41.96 41.54 2b5y s TYR 114 CO -0.01 -0.12 0.05 0.71 -1.57 0.00 0.00 175.55 174.60 2b5y s TYR 115 N -0.18 0.40 -0.12 2.71 1.51 -0.43 -1.40 117.35 119.83 2b5y s TYR 115 Ca -0.03 -0.13 -0.00 0.00 -1.01 0.00 0.00 57.07 55.90 2b5y s TYR 115 Cb -0.02 -0.69 -0.02 0.00 -0.11 0.00 0.00 41.96 41.11 2b5y s TYR 115 CO 0.00 -0.35 -0.11 0.08 -1.11 0.00 0.00 175.55 174.07 2b5y s VAL 116 N 2.06 3.29 0.04 0.71 1.01 0.11 -1.12 120.40 126.50 2b5y s VAL 116 Ca 0.04 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.48 2b5y s VAL 116 Cb -0.14 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 2b5y s VAL 116 CO -0.06 0.54 -0.15 -0.36 0.00 0.00 0.00 175.10 175.07 2b5y s PHE 117 N 0.08 1.28 1.14 5.22 0.40 0.38 -0.26 117.98 126.22 2b5y s PHE 117 Ca -0.04 -0.36 -0.14 0.00 -0.60 0.00 0.00 56.93 55.79 2b5y s PHE 117 Cb -0.14 -0.76 0.26 0.00 0.51 0.00 0.00 43.02 42.89 2b5y s PHE 117 CO 0.04 0.04 1.05 0.34 0.70 0.00 0.00 175.22 177.39 2b5y s ASP 118 N -1.15 1.30 0.00 1.36 -1.08 0.08 -1.30 116.67 115.87 2b5y s ASP 118 Ca 0.02 1.22 0.04 0.00 -0.52 0.00 0.00 52.55 53.31 2b5y s ASP 118 Cb -0.08 -1.88 0.22 0.00 -1.46 0.00 0.00 42.92 39.72 2b5y s ASP 118 CO 0.01 -3.96 0.91 2.29 0.52 0.00 0.00 175.17 174.94 2b5y n LYS 119 N -4.73 0.08 -0.23 4.34 2.85 -1.26 -0.93 118.16 118.28 2b5y n LYS 119 Ca 0.05 0.19 0.07 0.00 -1.05 0.00 0.00 58.31 57.57 2b5y n LYS 119 Cb 0.57 -1.50 0.17 0.00 -0.65 0.00 0.00 35.03 33.61 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 -1.22 1.66 -1.15 0.58 5.66 -1.26 -2.00 114.28 116.55 2b5y n THR 120 Ca 0.02 -1.58 -0.05 0.00 -3.05 0.00 0.00 64.05 59.39 2b5y n THR 120 Cb 0.03 0.07 -0.02 0.00 -1.55 0.00 0.00 70.33 68.86 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 -0.41 0.77 3.70 1.09 0.00 -0.11 -4.98 105.19 105.25 2b5y n GLY 121 Ca 0.14 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.33 3.45 0.05 1.61 -1.52 -1.26 -1.27 119.66 118.39 2b5y s GLN 122 Ca 0.00 -0.33 -0.30 0.00 -1.95 0.00 0.00 55.36 52.78 2b5y s GLN 122 Cb 0.00 -3.02 -0.08 0.00 -0.22 0.00 0.00 33.01 29.68 2b5y s GLN 122 CO 0.00 0.56 1.73 -1.17 -0.25 0.00 0.00 175.29 176.15 2b5y s LEU 123 N -0.44 4.37 -0.16 2.90 2.96 0.16 -0.74 118.68 127.73 2b5y s LEU 123 Ca 0.09 2.50 -0.22 0.00 -0.22 0.00 0.00 54.13 56.29 2b5y s LEU 123 Cb -0.12 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 42.78 2b5y s LEU 123 CO 0.02 -0.94 0.47 0.03 -1.32 0.00 0.00 176.35 174.61 2b5y h ARG 124 N 8.96 0.07 -2.93 1.98 2.47 -0.95 0.11 114.38 124.09 2b5y h ARG 124 Ca -0.44 -0.12 -0.00 0.00 -1.26 0.00 0.00 59.98 58.16 2b5y h ARG 124 Cb 1.20 0.05 -0.12 0.00 -1.65 0.00 0.00 29.97 29.45 2b5y h ARG 124 CO 0.94 1.06 0.24 -1.58 0.56 0.00 0.00 179.97 181.19 2b5y s HIS 125 N -2.36 -0.50 0.02 3.04 5.04 -0.99 -4.81 115.29 114.72 2b5y s HIS 125 Ca -0.23 0.29 -0.10 0.00 -1.54 0.00 0.00 55.06 53.47 2b5y s HIS 125 Cb 0.03 0.57 0.01 0.00 0.04 0.00 0.00 32.58 33.22 2b5y s HIS 125 CO 0.67 -0.84 0.20 0.12 -2.34 0.00 0.00 174.74 172.55 2b5y s PHE 126 N -3.70 0.00 0.38 3.88 5.36 -1.26 -0.71 117.98 121.94 2b5y s PHE 126 Ca 0.02 -0.12 -0.10 0.00 -0.96 0.00 0.00 56.93 55.76 2b5y s PHE 126 Cb -0.01 -0.01 0.04 0.00 -0.34 0.00 0.00 43.02 42.70 2b5y s PHE 126 CO -0.12 -0.38 0.69 0.94 -1.46 0.00 0.00 175.22 174.89 2b5y n GLN 127 N 1.04 0.99 -3.53 10.12 -0.06 -0.49 -5.01 117.38 120.43 2b5y n GLN 127 Ca -0.21 -2.45 -0.12 0.00 -2.00 0.00 0.00 57.00 52.22 2b5y n GLN 127 Cb 0.57 2.77 -0.04 0.00 -4.06 0.00 0.00 30.24 29.49 2b5y n GLN 127 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2b5y s ALA 128 N -2.34 -1.33 0.00 1.69 0.00 -1.26 -0.91 121.76 117.61 2b5y s ALA 128 Ca 0.21 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2b5y s ALA 128 Cb -0.04 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2b5y s ALA 128 CO 0.15 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2b5y n GLY 129 N -0.11 -0.09 0.00 0.00 0.00 -0.48 -5.00 105.19 99.51 2b5y n GLY 129 Ca -0.17 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2b5y n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b5y n GLY 130 N 0.00 3.48 3.55 -0.02 0.00 -1.26 -4.57 105.19 106.37 2b5y n GLY 130 Ca 0.00 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 2b5y n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2b5y s SER 131 N 0.00 4.66 -1.19 1.61 0.01 -1.26 -1.18 113.70 116.36 2b5y s SER 131 Ca 0.00 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.28 2b5y s SER 131 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2b5y s SER 131 CO 0.00 -2.72 0.00 0.61 0.41 0.00 0.00 173.24 171.54 2b5y n GLY 132 N 5.93 0.60 1.91 3.44 0.00 -1.26 -1.57 105.19 114.23 2b5y n GLY 132 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.12 -2.21 0.23 1.61 3.85 -0.32 -4.83 117.12 113.33 2b5y n MET 133 Ca -0.13 0.00 0.09 0.00 -1.00 0.00 0.00 57.70 56.66 2b5y n MET 133 Cb 0.46 -4.25 0.57 0.00 -1.05 0.00 0.00 33.22 28.95 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 0.00 -0.22 3.17 3.64 -1.58 -2.13 116.57 119.46 2b5y h LYS 134 Ca 0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2b5y h LYS 134 Cb 0.61 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2b5y h LYS 134 CO 0.00 0.20 0.31 0.00 -2.27 0.00 0.00 179.45 177.69 2b5y h MET 135 N 0.00 0.00 -0.87 1.90 -0.00 -1.88 -1.24 114.93 112.84 2b5y h MET 135 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.71 2b5y h MET 135 Cb 0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.01 2b5y h MET 135 CO 0.03 0.00 0.58 1.25 -0.00 0.00 0.00 176.91 178.76 2b5y h LEU 136 N 0.00 0.99 -1.11 -0.10 5.85 -1.75 -0.22 115.31 118.98 2b5y h LEU 136 Ca 0.10 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.95 2b5y h LEU 136 Cb 0.71 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 2b5y h LEU 136 CO -0.00 0.71 0.61 -0.08 -0.34 0.00 0.00 178.44 179.34 2b5y h GLU 137 N 1.17 0.81 0.01 1.25 4.81 -1.42 -0.00 114.58 121.20 2b5y h GLU 137 Ca 0.32 -0.05 -0.27 0.00 -0.13 0.00 0.00 59.36 59.24 2b5y h GLU 137 Cb -0.12 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 29.10 2b5y h GLU 137 CO -0.08 0.54 -1.06 0.87 -0.73 0.00 0.00 179.01 178.56 2b5y h LYS 138 N 0.84 0.70 -0.71 1.92 1.57 -1.31 -1.06 116.57 118.51 2b5y h LYS 138 Ca 0.50 -0.76 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 2b5y h LYS 138 Cb 0.67 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 2b5y h LYS 138 CO -0.27 1.33 0.27 0.00 -0.57 0.00 0.00 179.45 180.21 2b5y h ARG 139 N 0.39 1.07 0.15 3.15 2.47 -0.01 0.12 114.38 121.72 2b5y h ARG 139 Ca -0.13 -0.20 -0.00 0.00 -1.26 0.00 0.00 59.98 58.38 2b5y h ARG 139 Cb 1.71 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 29.86 2b5y h ARG 139 CO 0.21 0.90 -0.09 0.28 0.56 0.00 0.00 179.97 181.82 2b5y h VAL 140 N 1.02 0.81 -0.09 2.04 2.07 -1.10 -2.65 116.25 118.36 2b5y h VAL 140 Ca 0.24 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.73 2b5y h VAL 140 Cb 0.24 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2b5y h VAL 140 CO -0.02 0.00 -0.07 0.78 0.02 0.00 0.00 177.57 178.29 2b5y h ASN 141 N -0.23 0.12 -0.03 0.57 2.35 -0.26 -0.80 115.58 117.29 2b5y h ASN 141 Ca -0.01 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.58 2b5y h ASN 141 Cb 0.19 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2b5y h ASN 141 CO 0.02 0.21 -0.43 0.03 -1.65 0.00 0.00 177.43 175.60 2b5y h ARG 142 N 0.13 0.56 -0.58 0.81 -0.00 -0.60 0.99 114.38 115.68 2b5y h ARG 142 Ca 0.03 -0.30 -0.08 0.00 -0.50 0.00 0.00 59.98 59.13 2b5y h ARG 142 Cb 0.21 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.17 2b5y h ARG 142 CO 0.01 0.89 0.05 0.28 0.00 0.00 0.00 179.97 181.20 2b5y h VAL 143 N 0.46 1.25 -0.71 2.04 2.07 -0.85 -2.85 116.25 117.67 2b5y h VAL 143 Ca 0.03 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.46 2b5y h VAL 143 Cb 0.94 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2b5y h VAL 143 CO 0.08 0.38 0.20 -0.07 0.02 0.00 0.00 177.57 178.18 2b5y h LEU 144 N 0.91 1.05 -1.74 2.57 3.38 -0.52 0.64 115.31 121.60 2b5y h LEU 144 Ca 0.18 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2b5y h LEU 144 Cb 0.45 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2b5y h LEU 144 CO 0.02 0.99 0.00 0.00 0.09 0.00 0.00 178.44 179.53 2b5y h ALA 145 N 1.15 1.00 0.00 1.53 0.00 -0.66 -3.05 119.26 119.22 2b5y h ALA 145 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2b5y h ALA 145 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2b5y h ALA 145 CO -0.00 0.00 -0.66 0.39 0.00 0.00 0.00 179.25 178.98 2b5y n GLU 146 N -2.64 2.97 -1.68 0.00 1.02 -0.73 -5.01 120.64 114.57 2b5y n GLU 146 Ca -0.01 -0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.73 2b5y n GLU 146 Cb 0.13 -0.87 0.04 0.00 -0.02 0.00 0.00 31.44 30.73 2b5y n GLU 146 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2b5y n THR 147 N -1.35 3.60 0.00 2.62 -1.04 0.14 -5.09 114.28 113.17 2b5y n THR 147 Ca -0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 2b5y n THR 147 Cb 0.07 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.16 2b5y n THR 147 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81