#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 -0.85 0.03 1.02 -1.26 -4.93 119.74 117.66 2b5y s LYS 2 Ca 0.00 1.57 -0.07 0.00 0.02 0.00 0.00 55.97 57.50 2b5y s LYS 2 Cb 0.00 -2.37 -0.11 0.00 -0.52 0.00 0.00 37.83 34.82 2b5y s LYS 2 CO 0.00 -0.38 2.63 1.28 -0.92 0.00 0.00 175.35 177.96 2b5y n LEU 3 N -0.46 5.87 0.00 3.17 4.77 -1.26 -2.74 117.00 126.34 2b5y n LEU 3 Ca 0.07 -3.25 0.00 0.00 -0.03 0.00 0.00 56.01 52.80 2b5y n LEU 3 Cb 0.50 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 2b5y n LEU 3 CO 0.45 1.26 0.00 -1.14 -1.33 0.00 0.00 177.39 176.63 2b5y n ARG 4 N 3.50 0.00 -1.27 3.23 3.00 -1.03 -4.69 116.66 119.40 2b5y n ARG 4 Ca 0.52 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 58.05 2b5y n ARG 4 Cb 0.35 0.00 0.09 0.00 0.00 0.00 0.00 32.46 32.90 2b5y n ARG 4 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2b5y s GLN 5 N -0.94 2.20 0.98 -0.14 -0.21 -1.11 -4.42 119.66 116.03 2b5y s GLN 5 Ca 0.00 1.25 -0.11 0.00 0.02 0.00 0.00 55.36 56.51 2b5y s GLN 5 Cb 0.00 -1.89 0.18 0.00 1.00 0.00 0.00 33.01 32.30 2b5y s GLN 5 CO 0.00 -1.69 1.09 -1.25 -2.12 0.00 0.00 175.29 171.32 2b5y s PRO 6 N -4.75 0.54 0.75 2.91 0.04 -1.26 -0.80 135.00 132.42 2b5y s PRO 6 Ca 0.63 1.10 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 2b5y s PRO 6 Cb -0.18 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 2b5y s PRO 6 CO 0.54 -2.82 0.57 -1.33 0.04 0.00 0.00 177.00 174.00 2b5y n MET 7 N -4.32 0.26 0.00 4.56 2.81 -1.24 -4.79 117.12 114.40 2b5y n MET 7 Ca 0.08 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 2b5y n MET 7 Cb 0.54 -1.87 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 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 -0.96 -0.77 0.00 0.03 -0.04 -1.26 -4.92 135.00 127.08 2b5y n PRO 8 Ca 0.10 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 2b5y n PRO 8 Cb 0.50 0.00 0.51 0.00 -0.04 0.00 0.00 33.50 34.48 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 -1.35 0.36 -3.94 0.54 1.02 -1.26 -4.89 120.64 111.11 2b5y n GLU 9 Ca 0.00 0.08 -0.29 0.00 -0.02 0.00 0.00 57.16 56.93 2b5y n GLU 9 Cb 0.00 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 29.93 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 -1.22 -2.44 -4.51 -4.62 4.77 -1.26 -5.00 117.00 102.72 2b5y n LEU 10 Ca 0.11 -0.87 -0.29 0.00 -0.03 0.00 0.00 56.01 54.93 2b5y n LEU 10 Cb 0.14 -2.43 0.24 0.00 -2.33 0.00 0.00 43.42 39.03 2b5y n LEU 10 CO 0.14 0.42 0.54 0.42 -1.33 0.00 0.00 177.39 177.58 2b5y s THR 11 N -3.46 2.03 0.00 -5.08 -4.23 -1.26 -5.00 115.64 98.63 2b5y s THR 11 Ca 0.47 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 2b5y s THR 11 Cb -0.24 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.53 2b5y s THR 11 CO 0.86 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.53 2b5y n GLY 12 N 0.70 3.23 0.00 3.99 0.00 -1.26 -3.98 105.19 107.87 2b5y n GLY 12 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.64 -0.07 1.61 -0.58 -1.26 -4.61 120.64 115.09 2b5y n GLU 13 Ca 0.00 -0.42 -0.11 0.00 -0.42 0.00 0.00 57.16 56.21 2b5y n GLU 13 Cb 0.00 -0.92 -0.04 0.00 -0.57 0.00 0.00 31.44 29.91 2b5y n GLU 13 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2b5y h LYS 14 N 0.00 0.37 0.00 3.49 3.11 -1.80 -3.47 116.57 118.27 2b5y h LYS 14 Ca 0.00 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 2b5y h LYS 14 Cb 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.25 2b5y h LYS 14 CO 0.00 0.51 0.00 0.00 -2.81 0.00 0.00 179.45 177.15 2b5y n ALA 15 N -2.30 0.00 -1.52 5.00 0.00 -1.24 -5.06 120.51 115.40 2b5y n ALA 15 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.11 2b5y n ALA 15 Cb 0.19 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.99 2.52 -0.12 0.00 1.48 -1.26 -1.35 118.94 118.21 2b5y s TRP 16 Ca 0.00 0.89 -0.24 0.00 -1.06 0.00 0.00 56.10 55.68 2b5y s TRP 16 Cb 0.00 -3.36 0.06 0.00 -1.16 0.00 0.00 33.47 29.01 2b5y s TRP 16 CO 0.00 -2.34 0.60 -1.17 -4.06 0.00 0.00 176.95 169.98 2b5y s LEU 17 N -6.03 -0.29 0.00 -4.66 2.96 0.83 -4.82 118.68 106.66 2b5y s LEU 17 Ca 0.64 0.83 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 2b5y s LEU 17 Cb -0.15 2.16 0.00 0.00 0.50 0.00 0.00 46.19 48.70 2b5y s LEU 17 CO 0.54 -0.42 0.00 0.59 -1.32 0.00 0.00 176.35 175.73 2b5y n ASN 18 N 1.72 0.00 0.00 3.68 4.13 -1.26 -0.71 115.26 122.82 2b5y n ASN 18 Ca -0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.09 2b5y n ASN 18 Cb 0.56 -1.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.26 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 -1.84 1.64 2.88 7.41 0.00 -1.26 -4.31 105.19 109.72 2b5y n GLY 19 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 1.29 0.19 1.61 2.12 -1.26 -3.92 118.70 116.73 2b5y s GLU 20 Ca 0.00 -1.06 0.00 0.00 0.36 0.00 0.00 54.97 54.27 2b5y s GLU 20 Cb 0.00 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 2b5y s GLU 20 CO 0.00 -0.73 0.07 0.14 -0.54 0.00 0.00 175.26 174.20 2b5y s VAL 21 N 1.43 0.34 0.17 3.70 -7.23 -1.26 -5.07 120.40 112.47 2b5y s VAL 21 Ca 0.00 -1.97 -0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2b5y s VAL 21 Cb -0.18 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 2b5y s VAL 21 CO -0.11 -0.23 0.06 0.42 -0.31 0.00 0.00 175.10 174.93 2b5y s THR 22 N -3.90 0.28 0.23 5.32 -4.23 -1.26 -5.02 115.64 107.06 2b5y s THR 22 Ca 0.31 -1.95 -0.16 0.00 -1.18 0.00 0.00 61.69 58.71 2b5y s THR 22 Cb 0.07 -2.20 0.26 0.00 1.34 0.00 0.00 72.50 71.97 2b5y s THR 22 CO 0.08 -0.34 1.57 -0.09 -0.54 0.00 0.00 174.62 175.30 2b5y h ARG 23 N 2.73 -0.04 0.00 3.99 2.43 -1.98 -1.81 114.38 119.70 2b5y h ARG 23 Ca -0.36 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 2b5y h ARG 23 Cb 1.21 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2b5y h ARG 23 CO 0.59 -0.02 -0.05 0.93 -1.51 0.00 0.00 179.97 179.91 2b5y h GLU 24 N -0.04 0.00 0.00 0.20 5.08 -1.96 -0.88 114.58 116.98 2b5y h GLU 24 Ca 0.35 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.67 2b5y h GLU 24 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2b5y h GLU 24 CO -0.90 0.05 -1.35 1.04 -1.00 0.00 0.00 179.01 176.85 2b5y n GLN 25 N -3.28 0.62 0.00 2.33 6.02 -0.70 -4.62 117.38 117.74 2b5y n GLN 25 Ca -0.01 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2b5y n GLN 25 Cb 0.22 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 29.74 2b5y n GLN 25 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 2b5y n LEU 26 N -2.61 0.00 -4.80 1.08 -0.00 -0.92 -4.96 117.00 104.79 2b5y n LEU 26 Ca -0.04 -0.37 -0.34 0.00 -0.00 0.00 0.00 56.01 55.27 2b5y n LEU 26 Cb 0.62 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.00 2b5y n LEU 26 CO 0.42 0.00 0.70 -0.63 -0.00 0.00 0.00 177.39 177.88 2b5y s ILE 27 N -0.97 3.93 0.00 1.47 1.01 -0.38 -4.72 121.20 121.54 2b5y s ILE 27 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 60.65 61.90 2b5y s ILE 27 Cb 0.00 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.93 2b5y s ILE 27 CO 0.00 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.34 2b5y n GLY 28 N -0.22 0.95 0.00 6.18 0.00 -1.25 -4.98 105.19 105.87 2b5y n GLY 28 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 1.17 -4.43 1.61 2.13 -1.26 -4.83 120.64 115.03 2b5y n GLU 29 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 2b5y n GLU 29 Cb 0.00 -0.10 -0.10 0.00 0.27 0.00 0.00 31.44 31.51 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 0.00 2.79 1.11 5.31 -0.14 -1.26 -4.85 119.74 122.69 2b5y s LYS 30 Ca 0.00 -0.56 -0.13 0.00 -1.36 0.00 0.00 55.97 53.92 2b5y s LYS 30 Cb 0.00 -2.65 0.25 0.00 -1.68 0.00 0.00 37.83 33.75 2b5y s LYS 30 CO 0.00 0.65 1.05 -1.25 -0.76 0.00 0.00 175.35 175.04 2b5y s PRO 31 N -1.16 -0.46 0.03 -1.68 0.04 -1.26 -4.17 135.00 126.34 2b5y s PRO 31 Ca 0.16 0.77 0.02 0.00 0.04 0.00 0.00 61.00 61.99 2b5y s PRO 31 Cb -0.11 -1.61 -0.02 0.00 0.04 0.00 0.00 34.50 32.80 2b5y s PRO 31 CO 0.05 -3.39 -0.08 0.99 0.04 0.00 0.00 177.00 174.61 2b5y s THR 32 N -2.62 0.58 -0.15 1.26 2.01 -0.51 -0.82 115.64 115.40 2b5y s THR 32 Ca 0.67 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.85 2b5y s THR 32 Cb -0.23 -0.59 0.02 0.00 0.01 0.00 0.00 72.50 71.71 2b5y s THR 32 CO 0.62 -0.19 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.99 2b5y s LEU 33 N -1.11 1.75 -0.13 4.42 2.96 -0.26 -0.72 118.68 125.59 2b5y s LEU 33 Ca -0.05 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.35 2b5y s LEU 33 Cb -0.07 -1.22 -0.02 0.00 0.50 0.00 0.00 46.19 45.38 2b5y s LEU 33 CO 0.00 -0.04 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.26 2b5y s ILE 34 N 1.42 3.28 0.01 6.68 1.01 -0.59 -1.87 121.20 131.14 2b5y s ILE 34 Ca 0.04 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2b5y s ILE 34 Cb -0.13 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 2b5y s ILE 34 CO -0.10 0.52 -0.06 -1.38 0.00 0.00 0.00 174.94 173.92 2b5y s HIS 35 N 0.25 0.53 0.12 3.97 -3.43 -1.20 -0.94 115.29 114.59 2b5y s HIS 35 Ca -0.07 -0.23 -0.04 0.00 -0.80 0.00 0.00 55.06 53.91 2b5y s HIS 35 Cb -0.15 -0.33 -0.05 0.00 -1.43 0.00 0.00 32.58 30.62 2b5y s HIS 35 CO 0.05 -0.04 0.35 -0.06 -2.00 0.00 0.00 174.74 173.04 2b5y s PHE 36 N -0.56 3.49 0.26 0.38 0.08 0.31 -1.12 117.98 120.82 2b5y s PHE 36 Ca -0.02 0.53 -0.21 0.00 0.12 0.00 0.00 56.93 57.35 2b5y s PHE 36 Cb -0.05 -1.98 0.04 0.00 -0.57 0.00 0.00 43.02 40.46 2b5y s PHE 36 CO 0.00 0.47 0.81 1.67 -0.10 0.00 0.00 175.22 178.07 2b5y s TRP 37 N -1.61 -0.10 0.11 0.36 1.48 -1.00 -3.40 118.94 114.78 2b5y s TRP 37 Ca 0.39 -0.37 -0.17 0.00 -1.06 0.00 0.00 56.10 54.89 2b5y s TRP 37 Cb -0.12 0.72 0.04 0.00 -1.16 0.00 0.00 33.47 32.94 2b5y s TRP 37 CO 0.24 -1.19 0.43 -1.54 -4.06 0.00 0.00 176.95 170.83 2b5y s SER 38 N -2.99 -0.28 0.40 -2.66 1.04 -1.26 -1.24 113.70 106.71 2b5y s SER 38 Ca 0.13 -0.22 0.27 0.00 0.48 0.00 0.00 55.95 56.61 2b5y s SER 38 Cb -0.05 0.48 1.46 0.00 0.10 0.00 0.00 66.02 68.01 2b5y s SER 38 CO 0.07 -0.83 1.82 0.16 0.98 0.00 0.00 173.24 175.44 2b5y h ILE 39 N 2.45 0.00 0.00 -1.02 3.07 -1.91 -3.19 117.51 116.91 2b5y h ILE 39 Ca -0.33 0.00 -0.13 0.00 1.55 0.00 0.00 64.86 65.95 2b5y h ILE 39 Cb 1.25 0.60 -0.24 0.00 -0.27 0.00 0.00 36.82 38.15 2b5y h ILE 39 CO 0.45 0.00 -0.71 -1.54 -1.05 0.00 0.00 178.15 175.30 2b5y n SER 40 N -2.44 0.32 -4.87 2.16 3.41 -1.26 -4.98 113.62 105.96 2b5y n SER 40 Ca -0.02 -1.93 -0.34 0.00 -0.26 0.00 0.00 58.87 56.32 2b5y n SER 40 Cb 0.04 -0.13 -0.05 0.00 -0.26 0.00 0.00 64.21 63.81 2b5y n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b5y h HIS 42 N 3.60 0.00 0.00 0.00 3.86 -1.99 -2.81 115.15 117.81 2b5y h HIS 42 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 2b5y h HIS 42 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2b5y h HIS 42 CO 0.66 0.00 -0.58 -0.11 0.86 0.00 0.00 177.93 178.75 2b5y n LEU 43 N -2.97 0.00 0.16 2.43 -0.00 -1.26 -4.53 117.00 110.83 2b5y n LEU 43 Ca 0.00 -0.08 0.06 0.00 -0.00 0.00 0.00 56.01 55.99 2b5y n LEU 43 Cb 0.27 0.00 0.54 0.00 -0.00 0.00 0.00 43.42 44.23 2b5y n LEU 43 CO 0.25 0.00 1.08 0.00 -0.00 0.00 0.00 177.39 178.72 2b5y h LYS 45 N 0.21 0.00 0.05 0.00 -0.00 -1.74 0.16 116.57 115.25 2b5y h LYS 45 Ca 0.05 0.00 -0.32 0.00 -0.00 0.00 0.00 60.65 60.38 2b5y h LYS 45 Cb 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.22 2b5y h LYS 45 CO -0.01 0.00 -1.83 0.39 -0.00 0.00 0.00 179.45 178.01 2b5y n GLU 46 N -2.40 0.68 0.20 0.07 -0.58 -0.53 -4.34 120.64 113.75 2b5y n GLU 46 Ca 0.00 0.28 -0.15 0.00 -0.42 0.00 0.00 57.16 56.88 2b5y n GLU 46 Cb 0.16 -1.76 -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 0.63 -0.44 -0.54 0.62 0.00 -0.54 -3.07 119.26 115.93 2b5y h ALA 47 Ca -0.34 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.57 2b5y h ALA 47 Cb 2.02 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 19.88 2b5y h ALA 47 CO 0.08 -0.74 -0.25 0.52 0.00 0.00 0.00 179.25 178.86 2b5y h MET 48 N -0.46 -0.12 -0.42 0.00 2.86 -0.95 0.31 114.93 116.16 2b5y h MET 48 Ca -0.05 0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 2b5y h MET 48 Cb 0.35 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2b5y h MET 48 CO 0.07 -0.08 -0.22 -1.00 1.06 0.00 0.00 176.91 176.75 2b5y h PRO 49 N -0.12 0.89 -0.06 -0.22 0.13 -1.76 -2.55 132.00 128.31 2b5y h PRO 49 Ca 0.24 -0.40 -0.11 0.00 -0.87 0.00 0.00 66.00 64.86 2b5y h PRO 49 Cb 0.51 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 2b5y h PRO 49 CO -0.62 1.05 -0.46 0.37 -0.23 0.00 0.00 178.00 178.11 2b5y h GLN 50 N 0.72 0.15 0.53 0.86 4.15 -1.14 -0.72 115.11 119.66 2b5y h GLN 50 Ca 0.09 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 2b5y h GLN 50 Cb 0.79 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.48 2b5y h GLN 50 CO 0.06 0.58 -0.30 0.28 -1.93 0.00 0.00 178.83 177.53 2b5y h VAL 51 N 0.12 0.38 -0.71 2.39 2.07 -0.42 -0.13 116.25 119.96 2b5y h VAL 51 Ca 0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.65 2b5y h VAL 51 Cb 0.87 0.38 -0.09 0.00 -1.52 0.00 0.00 31.29 30.94 2b5y h VAL 51 CO 0.07 0.00 0.27 -1.13 0.02 0.00 0.00 177.57 176.80 2b5y h ASN 52 N -0.78 0.25 0.63 0.57 -1.24 -1.09 -0.48 115.58 113.44 2b5y h ASN 52 Ca -0.07 0.10 -0.03 0.00 0.71 0.00 0.00 56.30 57.01 2b5y h ASN 52 Cb 0.62 0.08 0.01 0.00 0.73 0.00 0.00 38.32 39.76 2b5y h ASN 52 CO 0.09 0.11 -0.30 -0.33 -1.29 0.00 0.00 177.43 175.71 2b5y h GLU 53 N 0.43 -0.82 0.00 6.67 5.08 -0.84 -2.18 114.58 122.92 2b5y h GLU 53 Ca 0.38 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.78 2b5y h GLU 53 Cb 0.54 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2b5y h GLU 53 CO -0.37 -0.55 -0.06 0.27 -1.00 0.00 0.00 179.01 177.30 2b5y h PHE 54 N -0.87 0.00 -0.51 4.33 -5.15 -0.90 -0.89 116.94 112.95 2b5y h PHE 54 Ca -0.09 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.62 2b5y h PHE 54 Cb 0.65 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.80 2b5y h PHE 54 CO 0.08 0.06 0.07 -0.09 -2.00 0.00 0.00 178.31 176.44 2b5y h ARG 55 N 0.00 0.86 -0.23 6.09 1.12 -1.04 -0.32 114.38 120.85 2b5y h ARG 55 Ca -0.00 -0.23 -0.12 0.00 -1.11 0.00 0.00 59.98 58.51 2b5y h ARG 55 Cb 0.51 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.37 2b5y h ARG 55 CO 0.01 0.85 -0.34 0.22 -3.11 0.00 0.00 179.97 177.60 2b5y h ASP 56 N 0.74 0.70 -0.38 -3.80 3.58 -0.66 -1.96 116.42 114.64 2b5y h ASP 56 Ca 0.15 -0.51 -0.07 0.00 0.42 0.00 0.00 57.03 57.02 2b5y h ASP 56 Cb 0.41 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 2b5y h ASP 56 CO 0.01 1.08 0.01 0.11 -2.88 0.00 0.00 179.24 177.57 2b5y h LYS 57 N 0.34 0.75 0.00 0.28 1.57 -1.06 -3.34 116.57 115.11 2b5y h LYS 57 Ca 0.02 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2b5y h LYS 57 Cb 0.92 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2b5y h LYS 57 CO 0.08 0.75 0.00 0.66 -0.57 0.00 0.00 179.45 180.37 2b5y n TYR 58 N -4.23 0.00 -0.37 -1.35 4.01 -0.14 -4.84 117.16 110.24 2b5y n TYR 58 Ca 0.02 -0.24 0.29 0.00 -0.16 0.00 0.00 57.90 57.82 2b5y n TYR 58 Cb 0.28 -0.02 0.58 0.00 -0.31 0.00 0.00 39.34 39.87 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 0.24 0.00 -0.72 -0.00 -1.48 0.17 115.11 113.32 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 0.41 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 2b5y h GLN 59 CO 0.00 0.16 -0.35 -3.47 -0.00 0.00 0.00 178.83 175.17 2b5y n ASP 60 N -4.64 0.55 -0.01 0.06 2.03 -1.26 -4.01 116.55 109.27 2b5y n ASP 60 Ca 0.30 0.21 0.04 0.00 0.52 0.00 0.00 54.79 55.86 2b5y n ASP 60 Cb 1.12 -0.15 -0.07 0.00 -0.72 0.00 0.00 41.12 41.30 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 -1.90 0.55 -3.71 -0.67 6.02 0.33 -4.98 117.38 113.02 2b5y n GLN 61 Ca 0.05 -0.08 -0.16 0.00 -0.01 0.00 0.00 57.00 56.81 2b5y n GLN 61 Cb 0.40 -1.22 -0.15 0.00 1.02 0.00 0.00 30.24 30.28 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 -3.76 0.33 0.06 1.08 2.96 0.25 -4.34 118.68 115.27 2b5y s LEU 62 Ca -0.03 0.27 -0.31 0.00 -0.22 0.00 0.00 54.13 53.84 2b5y s LEU 62 Cb 0.06 0.24 -0.07 0.00 0.50 0.00 0.00 46.19 46.92 2b5y s LEU 62 CO 0.38 -0.20 1.39 0.20 -1.32 0.00 0.00 176.35 176.80 2b5y s ASN 63 N 1.77 6.85 -0.10 3.68 0.01 -0.00 -4.26 114.94 122.88 2b5y s ASN 63 Ca -0.02 2.22 0.04 0.00 -0.71 0.00 0.00 52.86 54.38 2b5y s ASN 63 Cb -0.12 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 38.96 2b5y s ASN 63 CO -0.05 -0.67 -0.23 -0.69 -1.51 0.00 0.00 177.10 173.95 2b5y s VAL 64 N 1.66 2.19 0.02 1.60 1.01 -1.26 -1.10 120.40 124.53 2b5y s VAL 64 Ca 0.64 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 2b5y s VAL 64 Cb -0.34 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 2b5y s VAL 64 CO 0.29 0.56 0.10 0.54 0.00 0.00 0.00 175.10 176.58 2b5y s VAL 65 N 0.32 0.11 0.15 2.92 0.11 -0.78 -4.44 120.40 118.78 2b5y s VAL 65 Ca -0.17 -0.92 0.01 0.00 -2.93 0.00 0.00 61.98 57.97 2b5y s VAL 65 Cb -0.18 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 2b5y s VAL 65 CO 0.08 -0.51 0.00 0.00 -3.33 0.00 0.00 175.10 171.35 2b5y s ALA 66 N -2.02 1.18 -0.10 1.54 0.00 -0.62 -3.27 121.76 118.46 2b5y s ALA 66 Ca -0.10 -1.52 -0.03 0.00 0.00 0.00 0.00 51.96 50.31 2b5y s ALA 66 Cb -0.05 0.54 0.05 0.00 0.00 0.00 0.00 23.12 23.66 2b5y s ALA 66 CO -0.02 -0.34 0.09 0.08 0.00 0.00 0.00 175.76 175.57 2b5y s VAL 67 N -3.73 -0.13 0.26 0.00 1.01 -0.28 -0.52 120.40 117.02 2b5y s VAL 67 Ca 0.22 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 2b5y s VAL 67 Cb 0.06 -0.35 -0.09 0.00 0.00 0.00 0.00 36.38 36.00 2b5y s VAL 67 CO 0.02 -0.01 1.20 -2.28 0.00 0.00 0.00 175.10 174.03 2b5y s HIS 68 N 2.18 3.37 -0.39 5.22 2.46 0.21 -2.38 115.29 125.95 2b5y s HIS 68 Ca 0.04 1.50 0.03 0.00 0.47 0.00 0.00 55.06 57.10 2b5y s HIS 68 Cb -0.14 -3.46 0.11 0.00 -0.13 0.00 0.00 32.58 28.97 2b5y s HIS 68 CO -0.06 -1.20 0.14 1.41 -2.47 0.00 0.00 174.74 172.56 2b5y s MET 69 N -1.11 1.45 0.48 2.88 0.00 -0.37 -2.08 119.30 120.55 2b5y s MET 69 Ca 0.49 -1.96 -0.24 0.00 0.00 0.00 0.00 55.69 53.99 2b5y s MET 69 Cb -0.35 -2.92 -0.07 0.00 0.00 0.00 0.00 34.83 31.49 2b5y s MET 69 CO 0.43 -1.02 1.34 -2.30 0.00 0.00 0.00 175.02 173.47 2b5y n PRO 70 N 3.96 1.92 0.00 4.11 -0.02 -1.26 -4.64 135.00 139.06 2b5y n PRO 70 Ca 0.04 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2b5y n PRO 70 Cb 0.38 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 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 -0.42 2.27 -3.91 -0.52 1.74 -1.26 -4.83 116.66 109.73 2b5y n ARG 71 Ca 0.08 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.06 2b5y n ARG 71 Cb 0.42 -0.83 -0.05 0.00 -1.02 0.00 0.00 32.46 30.98 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 -1.73 -0.10 0.24 0.55 0.01 -1.26 -5.02 113.70 106.39 2b5y s SER 72 Ca 0.00 -0.77 -0.07 0.00 1.31 0.00 0.00 55.95 56.42 2b5y s SER 72 Cb 0.00 0.54 0.25 0.00 0.21 0.00 0.00 66.02 67.02 2b5y s SER 72 CO 0.00 -1.04 1.92 -0.33 0.41 0.00 0.00 173.24 174.20 2b5y h GLU 73 N 2.33 1.25 0.00 12.44 5.08 -2.01 -0.67 114.58 133.00 2b5y h GLU 73 Ca -0.29 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2b5y h GLU 73 Cb 1.25 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2b5y h GLU 73 CO 0.40 0.83 0.00 -3.47 -1.00 0.00 0.00 179.01 175.77 2b5y n ASP 74 N -4.42 0.00 -0.00 1.42 2.03 -1.26 -2.66 116.55 111.65 2b5y n ASP 74 Ca 0.11 0.02 0.04 0.00 0.52 0.00 0.00 54.79 55.49 2b5y n ASP 74 Cb 0.03 -0.26 -0.06 0.00 -0.72 0.00 0.00 41.12 40.11 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 -1.26 1.83 0.21 1.67 -0.08 -0.30 -4.48 116.55 114.15 2b5y n ASP 75 Ca 0.07 -0.31 0.08 0.00 -1.51 0.00 0.00 54.79 53.12 2b5y n ASP 75 Cb 0.11 1.23 0.43 0.00 2.34 0.00 0.00 41.12 45.23 2b5y n ASP 75 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2b5y h LEU 76 N 0.00 0.00 -8.76 -2.67 3.38 -1.23 -3.44 115.31 102.60 2b5y h LEU 76 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 2b5y h LEU 76 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2b5y h LEU 76 CO 0.00 0.29 1.50 -0.67 0.09 0.00 0.00 178.44 179.65 2b5y n ASP 77 N -3.54 2.69 -0.31 -0.43 -0.08 -1.26 -4.86 116.55 108.76 2b5y n ASP 77 Ca -0.00 0.17 0.12 0.00 -1.51 0.00 0.00 54.79 53.56 2b5y n ASP 77 Cb 0.44 -1.45 0.35 0.00 2.34 0.00 0.00 41.12 42.80 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 14.78 0.72 0.00 -0.67 0.11 -1.98 -1.34 132.00 143.61 2b5y h PRO 78 Ca -0.33 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 2b5y h PRO 78 Cb 1.27 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2b5y h PRO 78 CO 1.02 0.48 -0.00 0.78 -0.21 0.00 0.00 178.00 180.06 2b5y h GLY 79 N 0.74 -0.00 1.46 -0.55 0.00 -1.99 -1.88 103.07 100.85 2b5y h GLY 79 Ca 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.71 2b5y h GLY 79 CO -0.26 -0.00 -0.28 1.70 0.00 0.00 0.00 176.54 177.70 2b5y h LYS 80 N -0.32 0.62 -0.05 4.80 3.64 -1.81 0.72 116.57 124.16 2b5y h LYS 80 Ca -0.00 -0.26 0.02 0.00 -1.27 0.00 0.00 60.65 59.14 2b5y h LYS 80 Cb 0.32 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2b5y h LYS 80 CO 0.00 0.83 -0.04 0.82 -2.27 0.00 0.00 179.45 178.80 2b5y h ILE 81 N 0.53 0.88 -0.03 2.00 2.04 -1.23 0.18 117.51 121.89 2b5y h ILE 81 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 2b5y h ILE 81 Cb 0.76 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2b5y h ILE 81 CO 0.06 0.00 -0.08 0.50 0.00 0.00 0.00 178.15 178.63 2b5y h LYS 82 N -0.04 -0.12 -0.29 2.37 1.63 -1.08 -2.07 116.57 116.97 2b5y h LYS 82 Ca 0.04 0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.72 2b5y h LYS 82 Cb 0.09 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 2b5y h LYS 82 CO -0.08 -0.08 -0.31 0.93 -3.45 0.00 0.00 179.45 176.46 2b5y h GLU 83 N -0.13 0.71 -0.42 1.90 5.08 -0.51 -0.96 114.58 120.25 2b5y h GLU 83 Ca 0.04 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 2b5y h GLU 83 Cb 0.19 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2b5y h GLU 83 CO -0.11 1.00 -0.01 1.15 -1.00 0.00 0.00 179.01 180.05 2b5y h THR 84 N 0.46 1.23 -0.80 1.13 2.02 -1.01 0.77 112.91 116.70 2b5y h THR 84 Ca 0.04 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 2b5y h THR 84 Cb 0.88 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 2b5y h THR 84 CO 0.08 0.32 0.41 0.00 0.37 0.00 0.00 175.52 176.70 2b5y h ALA 85 N 1.36 1.23 -0.32 6.16 0.00 -1.02 -1.59 119.26 125.08 2b5y h ALA 85 Ca 0.13 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2b5y h ALA 85 Cb 0.41 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2b5y h ALA 85 CO 0.02 0.61 -0.11 0.00 0.00 0.00 0.00 179.25 179.76 2b5y h ALA 86 N 1.33 0.45 -0.98 0.00 0.00 -0.36 0.12 119.26 119.83 2b5y h ALA 86 Ca 0.28 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2b5y h ALA 86 Cb 0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2b5y h ALA 86 CO -0.04 0.31 0.65 0.93 0.00 0.00 0.00 179.25 181.10 2b5y h GLU 87 N 0.41 1.29 -0.67 0.00 4.39 -0.56 -2.16 114.58 117.29 2b5y h GLU 87 Ca 0.08 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2b5y h GLU 87 Cb 0.62 -0.29 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2b5y h GLU 87 CO 0.04 0.86 0.00 0.72 -1.16 0.00 0.00 179.01 179.47 2b5y n HIS 88 N -4.38 0.90 -3.90 4.33 8.25 -0.63 -4.97 115.22 114.82 2b5y n HIS 88 Ca 0.12 -0.45 -0.29 0.00 -0.26 0.00 0.00 57.72 56.84 2b5y n HIS 88 Cb 0.02 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.14 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 1.44 -3.88 -3.74 0.41 2.03 -0.81 -4.69 116.55 107.30 2b5y n ASP 89 Ca 0.22 -0.81 -0.42 0.00 0.52 0.00 0.00 54.79 54.30 2b5y n ASP 89 Cb 0.57 -3.79 0.00 0.00 -0.72 0.00 0.00 41.12 37.18 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 -4.58 4.30 0.43 5.18 5.41 0.36 -4.72 119.36 125.74 2b5y n ILE 90 Ca -0.03 -3.99 0.11 0.00 1.00 0.00 0.00 62.75 59.84 2b5y n ILE 90 Cb 0.56 -2.38 0.25 0.00 -0.71 0.00 0.00 39.64 37.36 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 3.46 0.50 -0.96 1.39 -2.24 -1.26 -4.83 114.28 110.33 2b5y n THR 91 Ca 0.48 -0.69 -0.29 0.00 -2.27 0.00 0.00 64.05 61.28 2b5y n THR 91 Cb 0.34 0.79 0.17 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.50 0.61 0.05 -0.78 0.00 -1.26 -4.75 119.66 112.02 2b5y s GLN 92 Ca 0.38 0.92 -0.36 0.00 -0.00 0.00 0.00 55.36 56.29 2b5y s GLN 92 Cb 0.22 -1.73 -0.16 0.00 0.00 0.00 0.00 33.01 31.35 2b5y s GLN 92 CO 0.30 -2.71 1.49 -2.30 0.00 0.00 0.00 175.29 172.06 2b5y n PRO 93 N -4.22 1.46 -3.94 9.60 -0.02 -1.26 -4.32 135.00 132.29 2b5y n PRO 93 Ca 0.07 0.53 -0.30 0.00 -2.02 0.00 0.00 63.50 61.78 2b5y n PRO 93 Cb 0.55 -2.22 -0.16 0.00 -0.02 0.00 0.00 33.50 31.65 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 1.22 1.40 0.59 4.25 -1.09 0.11 -1.58 121.20 126.10 2b5y s ILE 94 Ca 0.85 -0.87 -0.18 0.00 -2.23 0.00 0.00 60.65 58.22 2b5y s ILE 94 Cb -0.89 -1.54 -0.04 0.00 -1.58 0.00 0.00 42.46 38.41 2b5y s ILE 94 CO 0.47 0.12 1.15 -0.36 -1.23 0.00 0.00 174.94 175.10 2b5y s PHE 95 N 1.50 2.54 -0.26 3.97 0.40 0.33 -0.12 117.98 126.33 2b5y s PHE 95 Ca -0.01 1.54 0.03 0.00 -0.60 0.00 0.00 56.93 57.89 2b5y s PHE 95 Cb -0.16 -3.33 0.06 0.00 0.51 0.00 0.00 43.02 40.10 2b5y s PHE 95 CO -0.08 -1.84 -0.09 0.08 0.70 0.00 0.00 175.22 173.99 2b5y s VAL 96 N -1.84 2.05 0.60 -0.44 1.01 -0.46 -0.62 120.40 120.70 2b5y s VAL 96 Ca 0.73 -1.61 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 2b5y s VAL 96 Cb -0.25 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 2b5y s VAL 96 CO 0.32 -0.08 1.26 -0.62 0.00 0.00 0.00 175.10 175.98 2b5y s ASP 97 N 1.14 5.03 0.24 3.32 -1.08 -0.89 -3.35 116.67 121.08 2b5y s ASP 97 Ca -0.07 2.52 -0.07 0.00 -0.52 0.00 0.00 52.55 54.42 2b5y s ASP 97 Cb -0.20 -2.61 0.23 0.00 -1.46 0.00 0.00 42.92 38.88 2b5y s ASP 97 CO -0.06 -1.71 1.89 0.28 0.52 0.00 0.00 175.17 176.10 2b5y h SER 98 N 0.90 1.12 0.00 -0.34 0.02 -1.90 -3.42 113.55 109.93 2b5y h SER 98 Ca -0.51 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2b5y h SER 98 Cb 1.31 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2b5y h SER 98 CO 0.55 0.85 0.00 -0.67 -1.14 0.00 0.00 176.83 176.42 2b5y n ASP 99 N -4.37 -1.20 -0.34 3.07 2.03 -1.26 -4.90 116.55 109.57 2b5y n ASP 99 Ca 0.11 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.71 2b5y n ASP 99 Cb 0.05 1.40 0.00 0.00 -0.72 0.00 0.00 41.12 41.85 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 -2.73 0.00 -0.10 -0.67 1.44 -1.26 -4.15 115.22 107.74 2b5y n HIS 100 Ca 0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.65 2b5y n HIS 100 Cb 0.00 0.22 0.01 0.00 0.12 0.00 0.00 29.99 30.34 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 0.00 0.41 -0.31 1.59 0.00 -1.95 0.22 119.26 119.21 2b5y h ALA 101 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2b5y h ALA 101 Cb 0.76 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2b5y h ALA 101 CO 0.00 -0.27 -0.31 1.25 0.00 0.00 0.00 179.25 179.92 2b5y h LEU 102 N 0.27 0.80 -1.58 0.00 6.46 -1.95 -2.06 115.31 117.25 2b5y h LEU 102 Ca 0.16 -0.47 0.11 0.00 -0.12 0.00 0.00 57.88 57.56 2b5y h LEU 102 Cb 0.13 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 39.79 2b5y h LEU 102 CO -0.16 1.11 0.44 0.74 -0.62 0.00 0.00 178.44 179.95 2b5y h THR 103 N 0.51 0.89 0.08 1.05 2.02 -1.74 -1.25 112.91 114.48 2b5y h THR 103 Ca 0.05 -0.16 -0.18 0.00 0.77 0.00 0.00 66.41 66.89 2b5y h THR 103 Cb 0.88 0.38 0.02 0.00 -1.74 0.00 0.00 68.15 67.69 2b5y h THR 103 CO 0.08 0.08 -0.77 -0.78 0.37 0.00 0.00 175.52 174.50 2b5y h ASP 104 N 0.46 0.54 -0.13 4.18 1.82 -0.53 -0.21 116.42 122.55 2b5y h ASP 104 Ca 0.31 -0.86 0.04 0.00 -0.39 0.00 0.00 57.03 56.13 2b5y h ASP 104 Cb 0.58 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 2b5y h ASP 104 CO -0.09 1.34 0.19 0.00 -1.61 0.00 0.00 179.24 179.07 2b5y h ALA 105 N 0.20 1.63 0.00 -0.78 0.00 -0.52 -2.74 119.26 117.06 2b5y h ALA 105 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2b5y h ALA 105 Cb 1.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2b5y h ALA 105 CO 0.15 -0.26 -0.18 1.97 0.00 0.00 0.00 179.25 180.93 2b5y n PHE 106 N -3.58 0.00 -4.08 0.00 -1.74 -0.73 -4.92 117.46 102.40 2b5y n PHE 106 Ca 0.00 -0.35 -0.47 0.00 -0.56 0.00 0.00 57.45 56.08 2b5y n PHE 106 Cb 0.29 -0.07 0.02 0.00 1.52 0.00 0.00 39.48 41.25 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 -0.46 -0.25 0.15 3.97 1.02 -0.14 -4.14 120.64 120.80 2b5y n GLU 107 Ca 0.04 0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 57.12 2b5y n GLU 107 Cb 0.57 -2.53 -0.08 0.00 -0.02 0.00 0.00 31.44 29.37 2b5y n GLU 107 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2b5y h ASN 108 N -2.65 -0.34 -0.44 1.62 -1.24 -1.77 -3.45 115.58 107.31 2b5y h ASN 108 Ca -0.72 -0.17 -0.19 0.00 0.71 0.00 0.00 56.30 55.93 2b5y h ASN 108 Cb 1.41 0.09 -0.08 0.00 0.73 0.00 0.00 38.32 40.47 2b5y h ASN 108 CO 0.52 0.01 -0.17 -0.62 -1.29 0.00 0.00 177.43 175.88 2b5y n GLU 109 N -5.13 -1.42 -3.22 6.67 1.02 -1.26 -4.98 120.64 112.31 2b5y n GLU 109 Ca -0.10 0.79 -0.12 0.00 -0.02 0.00 0.00 57.16 57.71 2b5y n GLU 109 Cb 0.26 -5.03 -0.04 0.00 -0.02 0.00 0.00 31.44 26.61 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 -2.34 -0.04 0.08 -0.32 4.01 -1.26 -5.14 117.16 112.15 2b5y n TYR 110 Ca -0.09 -1.38 0.00 0.00 -0.16 0.00 0.00 57.90 56.27 2b5y n TYR 110 Cb 0.50 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 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 -0.44 0.55 -2.15 -0.72 0.31 -1.26 -4.89 118.33 109.72 2b5y n VAL 111 Ca -0.01 0.18 -0.30 0.00 -0.01 0.00 0.00 64.34 64.20 2b5y n VAL 111 Cb 0.32 -1.09 -0.05 0.00 -0.91 0.00 0.00 33.84 32.11 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 2.76 -0.01 5.55 0.04 -1.26 -3.60 135.00 136.48 2b5y s PRO 112 Ca 0.00 -0.89 -0.11 0.00 0.04 0.00 0.00 61.00 60.05 2b5y s PRO 112 Cb 0.00 -5.21 0.01 0.00 0.04 0.00 0.00 34.50 29.34 2b5y s PRO 112 CO 0.00 -3.42 0.22 0.00 0.04 0.00 0.00 177.00 173.84 2b5y s ALA 113 N 9.46 -0.55 -0.10 8.56 0.00 -1.22 -0.95 121.76 136.97 2b5y s ALA 113 Ca 0.66 0.13 -0.21 0.00 0.00 0.00 0.00 51.96 52.54 2b5y s ALA 113 Cb -0.03 0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.20 2b5y s ALA 113 CO 0.05 -0.22 0.50 1.52 0.00 0.00 0.00 175.76 177.61 2b5y s TYR 114 N -1.24 -0.48 -0.02 0.00 -0.85 -0.49 -0.53 117.35 113.73 2b5y s TYR 114 Ca -0.13 0.97 -0.00 0.00 -0.52 0.00 0.00 57.07 57.39 2b5y s TYR 114 Cb -0.06 0.23 0.03 0.00 0.38 0.00 0.00 41.96 42.54 2b5y s TYR 114 CO 0.03 -0.41 0.04 0.71 -1.52 0.00 0.00 175.55 174.40 2b5y s TYR 115 N -0.64 0.03 -0.11 -3.49 1.51 -0.12 -1.82 117.35 112.71 2b5y s TYR 115 Ca -0.07 0.16 0.02 0.00 -1.01 0.00 0.00 57.07 56.17 2b5y s TYR 115 Cb -0.03 -0.27 0.01 0.00 -0.11 0.00 0.00 41.96 41.56 2b5y s TYR 115 CO 0.04 -0.11 -0.17 0.08 -1.11 0.00 0.00 175.55 174.29 2b5y s VAL 116 N 1.26 1.60 0.04 0.71 1.01 -0.01 -1.54 120.40 123.47 2b5y s VAL 116 Ca -0.07 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.27 2b5y s VAL 116 Cb -0.13 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2b5y s VAL 116 CO -0.03 0.46 -0.20 -0.36 0.00 0.00 0.00 175.10 174.97 2b5y s PHE 117 N 0.84 1.75 0.85 5.22 0.40 0.10 -0.39 117.98 126.75 2b5y s PHE 117 Ca -0.09 -0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 55.76 2b5y s PHE 117 Cb -0.15 -1.04 0.10 0.00 0.51 0.00 0.00 43.02 42.43 2b5y s PHE 117 CO 0.00 0.08 1.09 0.34 0.70 0.00 0.00 175.22 177.44 2b5y s ASP 118 N -1.16 3.83 0.45 1.36 -1.08 -0.48 -1.42 116.67 118.17 2b5y s ASP 118 Ca 0.07 1.63 0.28 0.00 -0.52 0.00 0.00 52.55 54.01 2b5y s ASP 118 Cb -0.09 -2.31 1.53 0.00 -1.46 0.00 0.00 42.92 40.59 2b5y s ASP 118 CO 0.02 -2.43 1.85 0.07 0.52 0.00 0.00 175.17 175.20 2b5y h LYS 119 N -1.41 0.00 0.00 4.34 2.10 -1.89 0.07 116.57 119.79 2b5y h LYS 119 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2b5y h LYS 119 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2b5y h LYS 119 CO 0.53 0.00 -0.15 -2.37 -2.00 0.00 0.00 179.45 175.46 2b5y n THR 120 N -2.53 0.18 -0.79 0.07 5.66 -1.26 -3.76 114.28 111.85 2b5y n THR 120 Ca -0.02 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 2b5y n THR 120 Cb 0.11 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 68.53 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 1.44 0.87 3.22 1.09 0.00 0.01 -5.01 105.19 106.81 2b5y n GLY 121 Ca 0.06 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.41 0.71 0.19 1.61 -2.07 -1.26 -3.63 119.66 113.80 2b5y s GLN 122 Ca 0.00 -0.43 -0.30 0.00 -1.82 0.00 0.00 55.36 52.81 2b5y s GLN 122 Cb 0.00 0.31 -0.09 0.00 -1.09 0.00 0.00 33.01 32.14 2b5y s GLN 122 CO 0.00 -0.21 1.35 -1.17 -1.32 0.00 0.00 175.29 173.94 2b5y s LEU 123 N -1.78 4.40 -0.20 2.60 2.96 0.02 -1.39 118.68 125.30 2b5y s LEU 123 Ca -0.09 2.43 -0.02 0.00 -0.22 0.00 0.00 54.13 56.23 2b5y s LEU 123 Cb -0.03 -3.61 -0.12 0.00 0.50 0.00 0.00 46.19 42.94 2b5y s LEU 123 CO -0.01 -0.58 -0.20 0.54 -1.32 0.00 0.00 176.35 174.78 2b5y n ARG 124 N 2.89 0.47 -3.63 1.98 5.12 0.47 -2.47 116.66 121.50 2b5y n ARG 124 Ca 0.07 0.13 -0.15 0.00 -1.93 0.00 0.00 57.85 55.98 2b5y n ARG 124 Cb 0.42 -1.35 -0.07 0.00 -1.16 0.00 0.00 32.46 30.30 2b5y n ARG 124 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2b5y s HIS 125 N -2.39 -0.42 -0.04 -1.55 2.46 -0.96 -4.88 115.29 107.50 2b5y s HIS 125 Ca -0.27 0.66 -0.15 0.00 0.47 0.00 0.00 55.06 55.77 2b5y s HIS 125 Cb 0.08 0.27 0.03 0.00 -0.13 0.00 0.00 32.58 32.82 2b5y s HIS 125 CO 0.43 -0.52 0.33 0.12 -2.47 0.00 0.00 174.74 172.62 2b5y s PHE 126 N -1.46 -0.25 0.19 3.88 5.36 -1.26 -0.83 117.98 123.61 2b5y s PHE 126 Ca -0.11 0.46 -0.10 0.00 -0.96 0.00 0.00 56.93 56.22 2b5y s PHE 126 Cb -0.02 0.11 -0.01 0.00 -0.34 0.00 0.00 43.02 42.77 2b5y s PHE 126 CO 0.06 -0.35 0.34 -0.65 -1.46 0.00 0.00 175.22 173.16 2b5y s GLN 127 N -0.95 1.29 -0.10 10.12 -1.52 -0.76 -5.02 119.66 122.72 2b5y s GLN 127 Ca -0.10 -1.21 -0.13 0.00 -1.95 0.00 0.00 55.36 51.97 2b5y s GLN 127 Cb -0.04 0.41 0.03 0.00 -0.22 0.00 0.00 33.01 33.18 2b5y s GLN 127 CO 0.03 -0.50 0.34 0.00 -0.25 0.00 0.00 175.29 174.91 2b5y s ALA 128 N -3.99 -0.83 0.34 6.09 0.00 -1.26 -1.40 121.76 120.71 2b5y s ALA 128 Ca 0.20 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2b5y s ALA 128 Cb 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.72 2b5y s ALA 128 CO 0.03 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2b5y n GLY 129 N 2.55 -1.98 0.00 0.00 0.00 -0.12 -4.99 105.19 100.65 2b5y n GLY 129 Ca -0.15 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -4.16 4.09 3.57 -0.02 0.00 -1.26 -4.82 105.19 102.59 2b5y n GLY 130 Ca 0.00 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 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 4.92 -1.23 1.61 0.01 -1.26 -1.38 113.70 116.38 2b5y s SER 131 Ca 0.00 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.64 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 -2.46 0.00 0.61 0.41 0.00 0.00 173.24 171.80 2b5y n GLY 132 N 5.88 0.54 2.19 3.44 0.00 -1.26 -1.65 105.19 114.32 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 -2.20 -2.61 -0.28 1.61 3.85 -0.48 -4.74 117.12 112.27 2b5y n MET 133 Ca -0.13 0.00 0.09 0.00 -1.00 0.00 0.00 57.70 56.65 2b5y n MET 133 Cb 0.49 -4.28 0.32 0.00 -1.05 0.00 0.00 33.22 28.70 2b5y n MET 133 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2b5y h LYS 134 N 0.00 0.80 0.00 3.17 1.79 -1.60 -2.48 116.57 118.26 2b5y h LYS 134 Ca 0.00 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2b5y h LYS 134 Cb 0.81 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2b5y h LYS 134 CO 0.00 0.53 -0.01 0.00 -1.08 0.00 0.00 179.45 178.89 2b5y h MET 135 N 0.83 0.00 -0.44 3.15 -0.00 -1.89 -2.12 114.93 114.45 2b5y h MET 135 Ca 0.43 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 60.08 2b5y h MET 135 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.10 2b5y h MET 135 CO -0.19 0.01 0.08 1.25 -0.00 0.00 0.00 176.91 178.05 2b5y h LEU 136 N 0.00 0.63 -1.23 -0.10 5.85 -1.84 -1.05 115.31 117.56 2b5y h LEU 136 Ca -0.00 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.67 2b5y h LEU 136 Cb 0.02 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 2b5y h LEU 136 CO 0.00 0.65 0.54 -0.08 -0.34 0.00 0.00 178.44 179.21 2b5y h GLU 137 N 0.65 0.91 -0.16 1.25 4.81 -1.57 0.55 114.58 121.02 2b5y h GLU 137 Ca 0.14 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.19 2b5y h GLU 137 Cb 0.29 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2b5y h GLU 137 CO 0.00 0.60 -0.40 0.87 -0.73 0.00 0.00 179.01 179.36 2b5y h LYS 138 N 0.94 0.55 -0.84 1.92 1.57 -1.42 -0.63 116.57 118.64 2b5y h LYS 138 Ca 0.35 -0.38 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2b5y h LYS 138 Cb 0.19 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 2b5y h LYS 138 CO -0.12 1.00 0.55 0.00 -0.57 0.00 0.00 179.45 180.30 2b5y h ARG 139 N 0.19 1.08 0.42 3.15 2.47 -0.42 0.18 114.38 121.46 2b5y h ARG 139 Ca -0.00 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 2b5y h ARG 139 Cb 1.01 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 2b5y h ARG 139 CO 0.09 0.71 -0.21 0.28 0.56 0.00 0.00 179.97 181.40 2b5y h VAL 140 N 1.11 0.57 -0.06 2.04 2.07 -0.93 -1.66 116.25 119.39 2b5y h VAL 140 Ca 0.32 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.81 2b5y h VAL 140 Cb -0.08 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2b5y h VAL 140 CO -0.08 0.00 -0.12 0.78 0.02 0.00 0.00 177.57 178.17 2b5y h ASN 141 N -0.58 0.09 0.11 0.57 2.35 -0.49 0.54 115.58 118.17 2b5y h ASN 141 Ca -0.06 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2b5y h ASN 141 Cb 0.45 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2b5y h ASN 141 CO 0.09 0.22 -0.05 0.03 -1.65 0.00 0.00 177.43 176.07 2b5y h ARG 142 N 0.09 -0.15 -0.95 0.81 2.47 -0.50 0.05 114.38 116.21 2b5y h ARG 142 Ca 0.02 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.81 2b5y h ARG 142 Cb 0.27 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.56 2b5y h ARG 142 CO 0.02 0.16 0.61 0.28 0.56 0.00 0.00 179.97 181.60 2b5y h VAL 143 N -0.46 1.10 -0.71 2.04 2.07 -0.54 0.11 116.25 119.85 2b5y h VAL 143 Ca -0.02 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 2b5y h VAL 143 Cb 0.37 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 2b5y h VAL 143 CO 0.03 0.21 0.27 -0.07 0.02 0.00 0.00 177.57 178.02 2b5y h LEU 144 N 1.13 1.00 -0.57 2.57 3.38 -0.78 -0.25 115.31 121.80 2b5y h LEU 144 Ca 0.40 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 58.03 2b5y h LEU 144 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2b5y h LEU 144 CO -0.16 0.91 -0.67 0.00 0.09 0.00 0.00 178.44 178.62 2b5y h ALA 145 N 1.13 0.78 0.06 1.53 0.00 -0.16 -3.33 119.26 119.27 2b5y h ALA 145 Ca 0.24 -0.59 -0.31 0.00 0.00 0.00 0.00 54.91 54.24 2b5y h ALA 145 Cb 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2b5y h ALA 145 CO -0.02 0.78 -1.74 0.93 0.00 0.00 0.00 179.25 179.20 2b5y h GLU 146 N 0.14 0.13 -7.13 0.00 4.39 -0.66 -3.46 114.58 108.00 2b5y h GLU 146 Ca -0.01 -0.21 -0.51 0.00 0.34 0.00 0.00 59.36 58.96 2b5y h GLU 146 Cb 1.20 0.08 0.10 0.00 -0.10 0.00 0.00 28.75 30.03 2b5y h GLU 146 CO 0.10 0.84 0.42 0.99 -1.16 0.00 0.00 179.01 180.20 2b5y s THR 147 N -2.59 2.99 -2.15 1.13 2.01 -0.12 -5.08 115.64 111.83 2b5y s THR 147 Ca -0.11 0.56 0.31 0.00 0.31 0.00 0.00 61.69 62.76 2b5y s THR 147 Cb 0.07 -3.16 0.80 0.00 0.01 0.00 0.00 72.50 70.23 2b5y s THR 147 CO 0.81 -0.19 2.08 -0.62 -0.69 0.00 0.00 174.62 176.02