#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bn4 s TRP 5 N 0.00 2.30 0.00 0.00 1.48 -1.26 -4.88 118.94 116.58 1bn4 s TRP 5 Ca 0.00 1.62 0.00 0.00 -1.06 0.00 0.00 56.10 56.66 1bn4 s TRP 5 Cb 0.00 -3.16 0.00 0.00 -1.16 0.00 0.00 33.47 29.15 1bn4 s TRP 5 CO 0.00 -2.10 0.00 0.41 -4.06 0.00 0.00 176.95 171.20 1bn4 n GLY 6 N -0.67 2.23 0.09 3.67 0.00 -0.06 -5.02 105.19 105.43 1bn4 n GLY 6 Ca 0.10 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.66 1bn4 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bn4 n TYR 7 N 0.00 0.00 -2.62 1.61 4.02 -1.26 -3.63 117.16 115.28 1bn4 n TYR 7 Ca 0.00 -0.99 -0.22 0.00 -0.01 0.00 0.00 57.90 56.68 1bn4 n TYR 7 Cb 0.00 -0.15 0.06 0.00 -0.02 0.00 0.00 39.34 39.23 1bn4 n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1bn4 s GLY 8 N -2.85 1.80 0.35 2.72 0.00 -1.26 -4.71 107.32 103.37 1bn4 s GLY 8 Ca 0.32 -1.48 0.05 0.00 0.00 0.00 0.00 44.72 43.60 1bn4 s GLY 8 CO 0.03 -1.09 1.97 1.70 0.00 0.00 0.00 173.10 175.71 1bn4 h LYS 9 N -0.16 0.78 0.00 2.90 1.63 -1.96 0.72 116.57 120.48 1bn4 h LYS 9 Ca -0.40 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1bn4 h LYS 9 Cb 1.29 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1bn4 h LYS 9 CO 0.48 0.52 -0.60 0.72 -3.45 0.00 0.00 179.45 177.12 1bn4 n HIS 10 N -4.47 0.02 -1.60 1.91 8.25 -1.26 -4.35 115.22 113.72 1bn4 n HIS 10 Ca 0.10 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1bn4 n HIS 10 Cb 0.17 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1bn4 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1bn4 n ASN 11 N -1.52 0.00 -2.96 0.41 6.94 -1.07 -4.97 115.26 112.09 1bn4 n ASN 11 Ca 0.05 -1.52 -0.14 0.00 -0.02 0.00 0.00 54.58 52.95 1bn4 n ASN 11 Cb 0.34 -0.10 0.11 0.00 -2.36 0.00 0.00 39.78 37.76 1bn4 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bn4 n GLY 12 N 0.00 -1.96 0.44 4.83 0.00 0.25 -0.88 105.19 107.86 1bn4 n GLY 12 Ca 0.00 -1.58 0.33 0.00 0.00 0.00 0.00 46.02 44.77 1bn4 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1bn4 h PRO 13 N 0.00 0.14 0.00 1.61 0.11 -1.84 0.18 132.00 132.20 1bn4 h PRO 13 Ca -0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1bn4 h PRO 13 Cb 0.58 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1bn4 h PRO 13 CO 0.14 0.09 0.00 -0.85 -0.21 0.00 0.00 178.00 177.17 1bn4 n GLU 14 N -4.74 0.15 -0.01 1.05 0.00 -1.26 -2.91 120.64 112.92 1bn4 n GLU 14 Ca 0.35 0.35 0.08 0.00 0.00 0.00 0.00 57.16 57.94 1bn4 n GLU 14 Cb 1.30 -1.77 -0.12 0.00 0.00 0.00 0.00 31.44 30.85 1bn4 n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1bn4 n HIS 15 N -2.05 0.00 -0.33 -1.84 8.25 0.63 -4.65 115.22 115.23 1bn4 n HIS 15 Ca 0.03 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.68 1bn4 n HIS 15 Cb 0.24 -0.28 0.44 0.00 1.12 0.00 0.00 29.99 31.51 1bn4 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1bn4 h TRP 16 N 0.00 0.83 -0.22 4.41 6.55 -1.45 -1.99 115.95 124.08 1bn4 h TRP 16 Ca 0.00 0.03 0.06 0.00 0.95 0.00 0.00 58.89 59.93 1bn4 h TRP 16 Cb 0.66 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.71 1bn4 h TRP 16 CO 0.00 0.09 0.18 1.12 -1.05 0.00 0.00 178.44 178.79 1bn4 h HIS 17 N 0.51 0.00 -0.72 0.49 2.07 -1.79 0.64 115.15 116.34 1bn4 h HIS 17 Ca 0.60 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 58.07 1bn4 h HIS 17 Cb 1.31 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.26 1bn4 h HIS 17 CO -0.00 0.00 0.26 0.87 -3.07 0.00 0.00 177.93 175.99 1bn4 h LYS 18 N 0.00 1.09 0.00 5.12 1.57 -1.71 -2.82 116.57 119.83 1bn4 h LYS 18 Ca 0.10 -0.21 -0.18 0.00 -1.87 0.00 0.00 60.65 58.50 1bn4 h LYS 18 Cb 0.47 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1bn4 h LYS 18 CO -0.00 0.91 -1.95 -0.25 -0.57 0.00 0.00 179.45 177.58 1bn4 n ASP 19 N -4.27 0.25 -3.67 0.86 8.00 -0.78 -4.73 116.55 112.21 1bn4 n ASP 19 Ca 0.06 0.11 -0.29 0.00 0.71 0.00 0.00 54.79 55.38 1bn4 n ASP 19 Cb 0.20 1.11 -0.12 0.00 -0.02 0.00 0.00 41.12 42.29 1bn4 n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1bn4 s PHE 20 N -2.99 2.00 0.55 1.24 0.08 0.15 -4.99 117.98 114.01 1bn4 s PHE 20 Ca -0.07 -2.50 0.30 0.00 0.12 0.00 0.00 56.93 54.78 1bn4 s PHE 20 Cb 0.10 -1.78 1.47 0.00 -0.57 0.00 0.00 43.02 42.23 1bn4 s PHE 20 CO 0.85 -0.76 1.89 -1.35 -0.10 0.00 0.00 175.22 175.75 1bn4 h PRO 21 N 6.34 0.00 0.00 0.24 0.11 -1.74 -0.86 132.00 136.09 1bn4 h PRO 21 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1bn4 h PRO 21 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1bn4 h PRO 21 CO 0.49 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.79 1bn4 n ILE 22 N -4.12 1.50 -0.06 4.15 0.13 -1.26 -1.92 119.36 117.78 1bn4 n ILE 22 Ca 0.16 0.59 0.23 0.00 -1.10 0.00 0.00 62.75 62.62 1bn4 n ILE 22 Cb 0.88 -1.57 0.71 0.00 -0.84 0.00 0.00 39.64 38.81 1bn4 n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1bn4 h ALA 23 N 2.03 2.60 -0.61 1.51 0.00 -1.47 0.31 119.26 123.62 1bn4 h ALA 23 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 1bn4 h ALA 23 Cb 0.02 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.72 1bn4 h ALA 23 CO 0.00 -0.83 0.22 1.63 0.00 0.00 0.00 179.25 180.27 1bn4 n LYS 24 N -4.28 2.74 -0.36 0.00 5.02 -0.81 -4.96 118.16 115.52 1bn4 n LYS 24 Ca 0.13 -3.06 -0.10 0.00 -2.02 0.00 0.00 58.31 53.25 1bn4 n LYS 24 Cb 0.74 -2.04 0.09 0.00 -0.02 0.00 0.00 35.03 33.80 1bn4 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bn4 n GLY 25 N -0.71 -2.56 0.14 0.72 0.00 0.11 -5.00 105.19 97.89 1bn4 n GLY 25 Ca 0.40 -1.46 0.09 0.00 0.00 0.00 0.00 46.02 45.04 1bn4 n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bn4 h GLU 26 N 0.00 0.00 -2.01 1.61 4.39 -1.95 -3.39 114.58 113.23 1bn4 h GLU 26 Ca -0.14 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.04 1bn4 h GLU 26 Cb 0.44 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.68 1bn4 h GLU 26 CO 0.09 0.10 -0.99 2.89 -1.16 0.00 0.00 179.01 179.94 1bn4 n ARG 27 N -2.88 1.85 -3.30 2.33 1.85 -1.26 -4.65 116.66 110.60 1bn4 n ARG 27 Ca -0.00 -3.92 -0.32 0.00 -1.00 0.00 0.00 57.85 52.61 1bn4 n ARG 27 Cb 0.61 -1.88 -0.06 0.00 -1.05 0.00 0.00 32.46 30.09 1bn4 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1bn4 s GLN 28 N -2.88 3.89 0.28 2.89 -1.52 -1.26 -2.60 119.66 118.47 1bn4 s GLN 28 Ca 0.42 0.45 0.12 0.00 -1.95 0.00 0.00 55.36 54.40 1bn4 s GLN 28 Cb 0.34 -2.57 -0.05 0.00 -0.22 0.00 0.00 33.01 30.50 1bn4 s GLN 28 CO -0.10 0.26 -0.19 -1.12 -0.25 0.00 0.00 175.29 173.89 1bn4 s SER 29 N -2.30 3.57 0.90 5.90 0.01 -1.26 -4.68 113.70 115.84 1bn4 s SER 29 Ca 0.50 -1.04 -0.10 0.00 1.31 0.00 0.00 55.95 56.61 1bn4 s SER 29 Cb -0.11 -0.30 0.18 0.00 0.21 0.00 0.00 66.02 66.00 1bn4 s SER 29 CO 0.20 0.01 1.12 -0.81 0.41 0.00 0.00 173.24 174.17 1bn4 n PRO 30 N -0.63 -0.80 -4.21 12.44 -0.04 -1.26 -4.61 135.00 135.89 1bn4 n PRO 30 Ca -0.05 -2.11 -0.12 0.00 -0.04 0.00 0.00 63.50 61.18 1bn4 n PRO 30 Cb 0.60 -1.03 -0.10 0.00 -0.04 0.00 0.00 33.50 32.93 1bn4 n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1bn4 s VAL 31 N -3.38 0.29 -0.02 0.52 -7.23 -1.26 0.37 120.40 109.69 1bn4 s VAL 31 Ca 0.66 -1.97 -0.21 0.00 -1.81 0.00 0.00 61.98 58.66 1bn4 s VAL 31 Cb -0.02 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.58 1bn4 s VAL 31 CO 0.46 -0.26 0.61 -0.62 -0.31 0.00 0.00 175.10 174.98 1bn4 s ASP 32 N -3.15 6.97 -0.51 4.85 2.15 -1.26 -3.03 116.67 122.67 1bn4 s ASP 32 Ca 0.30 1.15 -0.17 0.00 0.43 0.00 0.00 52.55 54.27 1bn4 s ASP 32 Cb 0.07 -2.37 0.09 0.00 -0.30 0.00 0.00 42.92 40.41 1bn4 s ASP 32 CO 0.07 0.05 0.51 -0.63 -0.17 0.00 0.00 175.17 175.00 1bn4 s ILE 33 N 0.04 5.11 -0.59 4.11 1.01 0.19 -4.94 121.20 126.14 1bn4 s ILE 33 Ca 0.32 -1.07 -0.26 0.00 0.00 0.00 0.00 60.65 59.65 1bn4 s ILE 33 Cb -0.18 -4.27 0.04 0.00 0.01 0.00 0.00 42.46 38.06 1bn4 s ILE 33 CO 0.17 -0.77 1.06 -0.62 0.00 0.00 0.00 174.94 174.78 1bn4 s ASP 34 N 3.03 6.35 0.43 3.58 -1.08 -1.26 -0.52 116.67 127.19 1bn4 s ASP 34 Ca 0.07 -0.25 0.09 0.00 -0.52 0.00 0.00 52.55 51.93 1bn4 s ASP 34 Cb -0.25 -2.49 0.93 0.00 -1.46 0.00 0.00 42.92 39.66 1bn4 s ASP 34 CO 0.07 -1.38 2.08 0.71 0.52 0.00 0.00 175.17 177.16 1bn4 h THR 35 N 6.06 1.09 0.00 1.71 1.35 -1.95 -2.47 112.91 118.70 1bn4 h THR 35 Ca -0.26 -0.16 -0.04 0.00 -0.55 0.00 0.00 66.41 65.40 1bn4 h THR 35 Cb 1.07 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1bn4 h THR 35 CO 1.15 0.08 -0.18 0.45 -0.25 0.00 0.00 175.52 176.77 1bn4 h HIS 36 N 0.46 0.00 -0.07 4.73 3.86 -2.03 -3.22 115.15 118.87 1bn4 h HIS 36 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1bn4 h HIS 36 Cb -0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1bn4 h HIS 36 CO 0.00 0.18 0.00 0.25 0.86 0.00 0.00 177.93 179.22 1bn4 n THR 37 N -3.30 0.15 -2.47 2.45 -2.24 -1.02 -4.96 114.28 102.89 1bn4 n THR 37 Ca 0.01 -0.57 -0.40 0.00 -2.27 0.00 0.00 64.05 60.81 1bn4 n THR 37 Cb 0.44 1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 69.77 1bn4 n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bn4 s ALA 38 N -1.02 3.41 -0.23 6.98 0.00 -0.96 -4.82 121.76 125.12 1bn4 s ALA 38 Ca 0.16 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 52.88 1bn4 s ALA 38 Cb 0.11 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1bn4 s ALA 38 CO 0.16 -0.18 0.29 0.21 0.00 0.00 0.00 175.76 176.24 1bn4 s LYS 39 N -1.30 4.10 0.11 0.00 2.20 0.16 -4.82 119.74 120.19 1bn4 s LYS 39 Ca 0.45 -0.03 -0.31 0.00 -0.36 0.00 0.00 55.97 55.73 1bn4 s LYS 39 Cb -0.32 -3.56 -0.08 0.00 -1.51 0.00 0.00 37.83 32.36 1bn4 s LYS 39 CO 0.40 -0.04 1.44 -0.47 -0.36 0.00 0.00 175.35 176.33 1bn4 s TYR 40 N 1.32 3.11 -0.28 4.03 5.04 -1.26 -0.52 117.35 128.79 1bn4 s TYR 40 Ca 0.13 0.84 0.03 0.00 -2.44 0.00 0.00 57.07 55.63 1bn4 s TYR 40 Cb -0.14 -3.74 0.07 0.00 0.35 0.00 0.00 41.96 38.50 1bn4 s TYR 40 CO 0.07 -2.67 -0.06 0.34 -1.34 0.00 0.00 175.55 171.89 1bn4 s ASP 41 N 1.30 4.56 0.04 4.32 -1.08 -0.30 -4.86 116.67 120.64 1bn4 s ASP 41 Ca 0.66 -1.60 0.16 0.00 -0.52 0.00 0.00 52.55 51.25 1bn4 s ASP 41 Cb -0.38 -1.58 0.69 0.00 -1.46 0.00 0.00 42.92 40.20 1bn4 s ASP 41 CO 0.30 -0.25 1.52 -0.81 0.52 0.00 0.00 175.17 176.45 1bn4 n PRO 42 N 4.39 0.03 -0.00 4.34 -0.04 -1.26 -2.16 135.00 140.29 1bn4 n PRO 42 Ca -0.09 0.27 0.14 0.00 -0.04 0.00 0.00 63.50 63.78 1bn4 n PRO 42 Cb 0.42 -1.56 0.59 0.00 -0.04 0.00 0.00 33.50 32.91 1bn4 n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1bn4 n SER 43 N -1.61 1.25 -4.72 3.54 3.41 -1.26 -4.85 113.62 109.38 1bn4 n SER 43 Ca 0.03 -1.42 -0.42 0.00 -0.26 0.00 0.00 58.87 56.80 1bn4 n SER 43 Cb 0.19 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 1bn4 n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bn4 s LEU 44 N -1.98 4.40 0.53 1.04 1.02 -0.92 -5.04 118.68 117.72 1bn4 s LEU 44 Ca 0.39 1.85 -0.05 0.00 0.02 0.00 0.00 54.13 56.35 1bn4 s LEU 44 Cb 0.21 -3.58 -0.01 0.00 0.02 0.00 0.00 46.19 42.83 1bn4 s LEU 44 CO 0.34 -0.31 0.82 -0.54 0.02 0.00 0.00 176.35 176.68 1bn4 s LYS 45 N 0.78 3.16 0.65 1.70 1.02 -1.23 -4.99 119.74 120.83 1bn4 s LYS 45 Ca 0.54 -0.01 -0.13 0.00 0.02 0.00 0.00 55.97 56.38 1bn4 s LYS 45 Cb -0.25 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 34.70 1bn4 s LYS 45 CO 0.29 -0.46 1.07 -2.14 -0.92 0.00 0.00 175.35 173.19 1bn4 s PRO 46 N -4.83 3.03 0.51 -1.68 0.02 -1.26 -3.05 135.00 127.73 1bn4 s PRO 46 Ca 0.51 1.13 -0.19 0.00 0.02 0.00 0.00 61.00 62.47 1bn4 s PRO 46 Cb -0.10 -2.00 -0.07 0.00 0.02 0.00 0.00 34.50 32.35 1bn4 s PRO 46 CO 0.44 -1.03 1.05 -0.51 -0.33 0.00 0.00 177.00 176.61 1bn4 s LEU 47 N -5.03 3.78 -0.27 -5.54 1.43 -1.26 -1.07 118.68 110.71 1bn4 s LEU 47 Ca 0.62 1.93 0.01 0.00 -1.03 0.00 0.00 54.13 55.66 1bn4 s LEU 47 Cb -0.16 -4.56 0.08 0.00 0.03 0.00 0.00 46.19 41.58 1bn4 s LEU 47 CO 0.45 -0.88 0.01 -0.55 0.23 0.00 0.00 176.35 175.61 1bn4 s SER 48 N -2.11 4.04 -0.37 2.29 0.15 0.71 -4.85 113.70 113.56 1bn4 s SER 48 Ca 0.67 -1.48 -0.07 0.00 0.70 0.00 0.00 55.95 55.77 1bn4 s SER 48 Cb -0.17 -1.17 0.06 0.00 -1.71 0.00 0.00 66.02 63.03 1bn4 s SER 48 CO 0.23 -0.31 0.16 -0.69 1.20 0.00 0.00 173.24 173.83 1bn4 s VAL 49 N 1.37 3.90 -0.76 4.45 1.01 -1.26 -0.46 120.40 128.66 1bn4 s VAL 49 Ca 0.02 -1.27 -0.05 0.00 0.00 0.00 0.00 61.98 60.67 1bn4 s VAL 49 Cb -0.18 -3.30 0.19 0.00 0.00 0.00 0.00 36.38 33.09 1bn4 s VAL 49 CO -0.11 -0.32 0.62 -0.44 0.00 0.00 0.00 175.10 174.85 1bn4 s SER 50 N 1.65 5.84 -0.08 3.32 0.01 -0.03 -4.87 113.70 119.54 1bn4 s SER 50 Ca 0.01 -3.05 0.15 0.00 1.31 0.00 0.00 55.95 54.36 1bn4 s SER 50 Cb -0.21 -1.96 0.50 0.00 0.21 0.00 0.00 66.02 64.56 1bn4 s SER 50 CO 0.02 -0.37 1.42 -1.22 0.41 0.00 0.00 173.24 173.50 1bn4 n TYR 51 N 3.29 0.90 0.27 2.43 4.01 -1.26 -1.47 117.16 125.33 1bn4 n TYR 51 Ca 0.13 -0.64 0.15 0.00 -0.16 0.00 0.00 57.90 57.39 1bn4 n TYR 51 Cb 0.40 -0.17 0.69 0.00 -0.31 0.00 0.00 39.34 39.95 1bn4 n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1bn4 h ASP 52 N 2.62 0.00 -0.38 7.72 2.03 -1.90 -2.88 116.42 123.64 1bn4 h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1bn4 h ASP 52 Cb 1.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1bn4 h ASP 52 CO 0.13 0.08 0.00 0.00 -1.03 0.00 0.00 179.24 178.42 1bn4 n GLN 53 N -3.25 3.36 -1.75 4.15 1.13 -1.19 -5.02 117.38 114.81 1bn4 n GLN 53 Ca -0.00 -2.78 -0.42 0.00 -1.94 0.00 0.00 57.00 51.86 1bn4 n GLN 53 Cb 0.30 -1.84 -0.02 0.00 0.11 0.00 0.00 30.24 28.80 1bn4 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bn4 n ALA 54 N 0.05 2.67 -3.96 -1.58 0.00 -1.09 -4.56 120.51 112.04 1bn4 n ALA 54 Ca 0.22 0.37 -0.31 0.00 0.00 0.00 0.00 53.44 53.72 1bn4 n ALA 54 Cb 0.87 -2.48 -0.15 0.00 0.00 0.00 0.00 19.45 17.69 1bn4 n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bn4 s THR 55 N 0.11 1.98 0.41 0.00 2.01 -1.26 -4.89 115.64 114.00 1bn4 s THR 55 Ca 0.65 -2.12 -0.22 0.00 0.31 0.00 0.00 61.69 60.31 1bn4 s THR 55 Cb -0.49 -2.46 -0.11 0.00 0.01 0.00 0.00 72.50 69.46 1bn4 s THR 55 CO 0.47 -0.60 0.95 -0.94 -0.69 0.00 0.00 174.62 173.81 1bn4 s SER 56 N 1.06 7.01 0.00 3.53 1.04 -1.26 -0.45 113.70 124.63 1bn4 s SER 56 Ca 0.10 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.25 1bn4 s SER 56 Cb -0.19 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1bn4 s SER 56 CO -0.11 -0.31 0.00 0.18 0.98 0.00 0.00 173.24 173.98 1bn4 n LEU 57 N -0.42 0.24 -3.91 2.42 4.77 -0.24 -3.94 117.00 115.92 1bn4 n LEU 57 Ca 0.06 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1bn4 n LEU 57 Cb 0.53 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 1bn4 n LEU 57 CO 0.38 -0.04 -0.06 -0.60 -1.33 0.00 0.00 177.39 175.74 1bn4 s ARG 58 N -1.98 1.00 -0.01 3.23 3.52 -1.23 -0.84 118.95 122.65 1bn4 s ARG 58 Ca 0.00 -1.07 0.03 0.00 -0.13 0.00 0.00 55.73 54.56 1bn4 s ARG 58 Cb 0.00 0.36 -0.01 0.00 -1.56 0.00 0.00 34.95 33.74 1bn4 s ARG 58 CO 0.00 -0.34 -0.11 -1.50 -0.81 0.00 0.00 175.30 172.54 1bn4 s ILE 59 N -3.92 0.85 -0.02 4.11 2.07 -0.64 -0.72 121.20 122.94 1bn4 s ILE 59 Ca 0.11 -0.46 -0.21 0.00 -1.41 0.00 0.00 60.65 58.69 1bn4 s ILE 59 Cb 0.04 -0.71 0.04 0.00 0.13 0.00 0.00 42.46 41.96 1bn4 s ILE 59 CO -0.05 0.24 0.45 -1.48 -1.91 0.00 0.00 174.94 172.18 1bn4 s LEU 60 N -0.23 0.28 -0.30 8.50 2.34 -0.53 -1.02 118.68 127.73 1bn4 s LEU 60 Ca 0.04 0.29 -0.15 0.00 0.06 0.00 0.00 54.13 54.37 1bn4 s LEU 60 Cb -0.04 1.76 -0.03 0.00 -0.56 0.00 0.00 46.19 47.31 1bn4 s LEU 60 CO -0.00 -0.53 0.36 0.21 -1.06 0.00 0.00 176.35 175.33 1bn4 s ASN 61 N -1.35 6.21 -0.07 1.48 3.84 -0.46 -0.85 114.94 123.74 1bn4 s ASN 61 Ca -0.12 0.08 0.19 0.00 0.21 0.00 0.00 52.86 53.23 1bn4 s ASN 61 Cb -0.03 -2.20 0.67 0.00 -0.55 0.00 0.00 41.25 39.14 1bn4 s ASN 61 CO 0.06 -0.24 1.58 -0.46 -2.79 0.00 0.00 177.10 175.24 1bn4 n ASN 62 N 5.35 4.37 0.00 -4.21 0.23 -0.71 -0.66 115.26 119.64 1bn4 n ASN 62 Ca -0.09 -2.27 0.00 0.00 -0.53 0.00 0.00 54.58 51.69 1bn4 n ASN 62 Cb 0.50 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 1bn4 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bn4 n GLY 63 N 1.25 1.57 0.00 4.83 0.00 -1.26 -4.74 105.19 106.84 1bn4 n GLY 63 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1bn4 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bn4 n HIS 64 N -2.00 0.00 -3.92 1.61 8.25 -1.26 -4.73 115.22 113.16 1bn4 n HIS 64 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1bn4 n HIS 64 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1bn4 n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bn4 n ALA 65 N -1.62 -2.38 -2.71 -1.41 0.00 -1.26 -4.88 120.51 106.26 1bn4 n ALA 65 Ca 0.00 -0.58 -0.33 0.00 0.00 0.00 0.00 53.44 52.53 1bn4 n ALA 65 Cb 0.31 0.15 -0.13 0.00 0.00 0.00 0.00 19.45 19.79 1bn4 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1bn4 s PHE 66 N -2.52 2.84 -0.05 0.00 -0.12 -1.26 -1.73 117.98 115.15 1bn4 s PHE 66 Ca 0.20 -0.22 0.06 0.00 -0.05 0.00 0.00 56.93 56.91 1bn4 s PHE 66 Cb -0.01 -1.74 -0.01 0.00 -0.63 0.00 0.00 43.02 40.63 1bn4 s PHE 66 CO 0.00 0.12 -0.23 -0.80 -0.05 0.00 0.00 175.22 174.27 1bn4 s ASN 67 N -0.38 2.76 -0.26 1.98 0.02 -0.03 -4.14 114.94 114.90 1bn4 s ASN 67 Ca 0.05 -0.45 -0.10 0.00 -1.02 0.00 0.00 52.86 51.34 1bn4 s ASN 67 Cb -0.12 -0.66 -0.04 0.00 0.02 0.00 0.00 41.25 40.44 1bn4 s ASN 67 CO 0.02 0.23 0.14 -0.69 0.02 0.00 0.00 177.10 176.83 1bn4 s VAL 68 N -0.20 5.01 0.10 1.60 1.01 -0.59 -1.45 120.40 125.89 1bn4 s VAL 68 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1bn4 s VAL 68 Cb -0.12 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1bn4 s VAL 68 CO 0.02 0.30 0.26 -1.61 0.00 0.00 0.00 175.10 174.08 1bn4 s GLU 69 N 1.51 3.46 0.21 2.72 2.02 0.11 -1.79 118.70 126.93 1bn4 s GLU 69 Ca 0.07 -0.45 0.09 0.00 0.02 0.00 0.00 54.97 54.70 1bn4 s GLU 69 Cb -0.15 -2.99 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 1bn4 s GLU 69 CO 0.07 0.56 -0.17 -0.06 0.02 0.00 0.00 175.26 175.68 1bn4 s PHE 70 N -1.62 1.86 -0.38 1.61 0.40 -0.27 -1.08 117.98 118.50 1bn4 s PHE 70 Ca 0.36 -0.49 -0.29 0.00 -0.60 0.00 0.00 56.93 55.90 1bn4 s PHE 70 Cb -0.12 -0.87 0.01 0.00 0.51 0.00 0.00 43.02 42.55 1bn4 s PHE 70 CO 0.28 0.42 1.24 0.34 0.70 0.00 0.00 175.22 178.20 1bn4 s ASP 71 N -3.15 6.62 -0.31 1.36 2.15 0.41 -4.83 116.67 118.92 1bn4 s ASP 71 Ca 0.22 0.87 0.08 0.00 0.43 0.00 0.00 52.55 54.15 1bn4 s ASP 71 Cb -0.03 -2.54 0.49 0.00 -0.30 0.00 0.00 42.92 40.53 1bn4 s ASP 71 CO 0.08 -1.18 1.43 -0.90 -0.17 0.00 0.00 175.17 174.43 1bn4 n ASP 72 N 7.85 3.14 0.03 -0.34 5.75 -1.26 -4.63 116.55 127.09 1bn4 n ASP 72 Ca 0.14 -3.81 0.14 0.00 -0.01 0.00 0.00 54.79 51.25 1bn4 n ASP 72 Cb 0.48 -0.60 0.54 0.00 -1.03 0.00 0.00 41.12 40.51 1bn4 n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1bn4 n SER 73 N -1.04 0.23 -3.94 -1.12 3.41 -1.26 -4.86 113.62 105.03 1bn4 n SER 73 Ca 0.36 0.48 -0.10 0.00 -0.26 0.00 0.00 58.87 59.35 1bn4 n SER 73 Cb 0.96 -0.53 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 1bn4 n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1bn4 s GLN 74 N -3.03 1.22 -1.08 4.33 -0.21 -1.26 -5.06 119.66 114.57 1bn4 s GLN 74 Ca 0.13 -1.16 -0.22 0.00 0.02 0.00 0.00 55.36 54.14 1bn4 s GLN 74 Cb 0.17 0.40 -0.09 0.00 1.00 0.00 0.00 33.01 34.49 1bn4 s GLN 74 CO 0.56 -0.46 1.92 -0.25 -2.12 0.00 0.00 175.29 174.94 1bn4 n ASP 75 N -0.25 3.14 -0.08 5.90 8.00 -1.26 -4.59 116.55 127.42 1bn4 n ASP 75 Ca -0.07 -2.72 -0.21 0.00 0.71 0.00 0.00 54.79 52.50 1bn4 n ASP 75 Cb 0.63 -1.55 -0.13 0.00 -0.02 0.00 0.00 41.12 40.06 1bn4 n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bn4 n LYS 76 N 7.81 0.68 -3.70 -1.24 5.02 -1.26 -4.82 118.16 120.65 1bn4 n LYS 76 Ca 0.47 0.23 -0.28 0.00 -2.02 0.00 0.00 58.31 56.71 1bn4 n LYS 76 Cb 0.44 -1.60 -0.16 0.00 -0.02 0.00 0.00 35.03 33.69 1bn4 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bn4 s ALA 77 N -2.52 1.04 0.22 7.82 0.00 -1.26 -3.16 121.76 123.89 1bn4 s ALA 77 Ca -0.30 -0.94 0.09 0.00 0.00 0.00 0.00 51.96 50.80 1bn4 s ALA 77 Cb 0.08 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 1bn4 s ALA 77 CO 0.65 -1.35 -0.16 0.14 0.00 0.00 0.00 175.76 175.05 1bn4 s VAL 78 N 1.85 1.91 -0.09 0.00 -7.23 -0.54 -1.05 120.40 115.25 1bn4 s VAL 78 Ca 0.03 -2.22 0.04 0.00 -1.81 0.00 0.00 61.98 58.02 1bn4 s VAL 78 Cb -0.17 -2.08 -0.00 0.00 0.56 0.00 0.00 36.38 34.69 1bn4 s VAL 78 CO -0.16 -0.52 -0.24 -0.22 -0.31 0.00 0.00 175.10 173.66 1bn4 s LEU 79 N -3.28 2.06 0.31 1.32 0.20 0.52 -0.85 118.68 118.97 1bn4 s LEU 79 Ca 0.23 -0.53 0.03 0.00 0.69 0.00 0.00 54.13 54.55 1bn4 s LEU 79 Cb -0.02 -1.37 -0.02 0.00 -0.43 0.00 0.00 46.19 44.35 1bn4 s LEU 79 CO 0.09 0.17 0.31 -0.54 -0.29 0.00 0.00 176.35 176.09 1bn4 s LYS 80 N 0.24 1.70 2.69 1.98 1.02 0.39 -1.77 119.74 126.00 1bn4 s LYS 80 Ca -0.15 -1.87 0.00 0.00 0.02 0.00 0.00 55.97 53.97 1bn4 s LYS 80 Cb -0.17 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 1bn4 s LYS 80 CO 0.08 -0.65 0.00 0.41 -0.92 0.00 0.00 175.35 174.27 1bn4 n GLY 81 N -0.54 -0.53 7.00 -3.33 0.00 -1.26 -0.21 105.19 106.31 1bn4 n GLY 81 Ca 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1bn4 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bn4 n GLY 82 N 0.00 3.11 0.51 -0.02 0.00 -0.23 -0.76 105.19 107.81 1bn4 n GLY 82 Ca 0.00 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.92 1bn4 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bn4 n PRO 83 N 14.00 1.67 -3.34 1.61 -0.04 -1.26 -3.54 135.00 144.10 1bn4 n PRO 83 Ca 0.00 -1.01 -0.33 0.00 -0.04 0.00 0.00 63.50 62.11 1bn4 n PRO 83 Cb 0.00 -1.37 -0.06 0.00 -0.04 0.00 0.00 33.50 32.03 1bn4 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bn4 s LEU 84 N -1.51 4.21 -0.18 1.53 1.43 0.06 -5.07 118.68 119.16 1bn4 s LEU 84 Ca 0.31 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.45 1bn4 s LEU 84 Cb 0.16 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.81 1bn4 s LEU 84 CO 0.25 -0.03 -0.11 -0.62 0.23 0.00 0.00 176.35 176.06 1bn4 s ASP 85 N -2.12 3.06 0.00 2.29 2.15 -1.26 -4.32 116.67 116.47 1bn4 s ASP 85 Ca 0.45 -0.70 0.00 0.00 0.43 0.00 0.00 52.55 52.73 1bn4 s ASP 85 Cb -0.12 -1.19 0.00 0.00 -0.30 0.00 0.00 42.92 41.31 1bn4 s ASP 85 CO 0.20 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.70 1bn4 n GLY 86 N 4.74 1.61 3.80 2.66 0.00 -1.26 -5.00 105.19 111.73 1bn4 n GLY 86 Ca -0.15 -2.08 -0.36 0.00 0.00 0.00 0.00 46.02 43.42 1bn4 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bn4 s THR 87 N -1.83 5.39 -0.14 2.61 2.01 -1.26 -4.65 115.64 117.77 1bn4 s THR 87 Ca 0.00 0.34 0.02 0.00 0.31 0.00 0.00 61.69 62.36 1bn4 s THR 87 Cb 0.00 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 69.01 1bn4 s THR 87 CO 0.00 0.51 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.93 1bn4 s TYR 88 N -0.28 2.68 0.03 4.92 1.51 -0.73 -1.37 117.35 124.10 1bn4 s TYR 88 Ca 0.14 -1.19 -0.18 0.00 -1.01 0.00 0.00 57.07 54.82 1bn4 s TYR 88 Cb -0.12 -1.81 -0.06 0.00 -0.11 0.00 0.00 41.96 39.85 1bn4 s TYR 88 CO 0.03 -0.53 0.53 1.03 -1.11 0.00 0.00 175.55 175.50 1bn4 s ARG 89 N 0.71 4.17 0.06 -0.62 0.52 -0.27 -0.35 118.95 123.15 1bn4 s ARG 89 Ca -0.09 0.63 -0.31 0.00 -0.52 0.00 0.00 55.73 55.45 1bn4 s ARG 89 Cb -0.16 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 31.98 1bn4 s ARG 89 CO 0.01 0.56 1.22 -1.17 0.02 0.00 0.00 175.30 175.95 1bn4 s LEU 90 N -0.79 4.36 -0.05 2.53 2.96 -0.22 -1.44 118.68 126.04 1bn4 s LEU 90 Ca 0.28 2.04 0.02 0.00 -0.22 0.00 0.00 54.13 56.25 1bn4 s LEU 90 Cb -0.18 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 1bn4 s LEU 90 CO 0.17 -0.50 -0.02 0.00 -1.32 0.00 0.00 176.35 174.67 1bn4 n ILE 91 N 4.00 0.30 -3.56 6.68 3.06 -0.06 -4.55 119.36 125.24 1bn4 n ILE 91 Ca 0.09 -0.15 -0.07 0.00 -2.50 0.00 0.00 62.75 60.13 1bn4 n ILE 91 Cb 0.46 -0.79 -0.02 0.00 0.54 0.00 0.00 39.64 39.83 1bn4 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1bn4 s GLN 92 N -2.11 0.77 0.03 9.51 1.03 -1.22 -1.11 119.66 126.56 1bn4 s GLN 92 Ca -0.05 -0.32 0.02 0.00 0.04 0.00 0.00 55.36 55.05 1bn4 s GLN 92 Cb 0.02 0.33 -0.02 0.00 0.03 0.00 0.00 33.01 33.37 1bn4 s GLN 92 CO 0.15 -0.34 -0.06 -0.59 -2.54 0.00 0.00 175.29 171.91 1bn4 s PHE 93 N -3.00 0.53 0.29 9.60 -0.12 -0.74 -0.58 117.98 123.96 1bn4 s PHE 93 Ca 0.07 -0.37 -0.02 0.00 -0.05 0.00 0.00 56.93 56.56 1bn4 s PHE 93 Cb -0.01 -0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 42.04 1bn4 s PHE 93 CO -0.07 -0.07 0.36 -3.38 -0.05 0.00 0.00 175.22 172.01 1bn4 s HIS 94 N -1.00 1.11 0.19 3.49 -3.43 -0.73 -1.54 115.29 113.38 1bn4 s HIS 94 Ca -0.07 -1.29 0.06 0.00 -0.80 0.00 0.00 55.06 52.96 1bn4 s HIS 94 Cb -0.07 -0.27 -0.05 0.00 -1.43 0.00 0.00 32.58 30.75 1bn4 s HIS 94 CO 0.00 -0.95 -0.11 -0.06 -2.00 0.00 0.00 174.74 171.62 1bn4 s PHE 95 N -3.55 1.54 -0.04 0.38 0.40 -1.26 -1.03 117.98 114.43 1bn4 s PHE 95 Ca 0.33 -0.67 0.02 0.00 -0.60 0.00 0.00 56.93 56.01 1bn4 s PHE 95 Cb 0.02 -0.76 0.01 0.00 0.51 0.00 0.00 43.02 42.80 1bn4 s PHE 95 CO 0.18 0.23 -0.10 -1.01 0.70 0.00 0.00 175.22 175.21 1bn4 s HIS 96 N -3.14 1.16 0.21 0.36 3.76 -0.60 -4.74 115.29 112.30 1bn4 s HIS 96 Ca 0.21 -0.35 -0.06 0.00 -0.15 0.00 0.00 55.06 54.71 1bn4 s HIS 96 Cb 0.01 -0.85 -0.02 0.00 1.11 0.00 0.00 32.58 32.82 1bn4 s HIS 96 CO 0.05 -0.18 0.26 1.67 -0.85 0.00 0.00 174.74 175.69 1bn4 s TRP 97 N 0.44 0.79 0.51 1.40 -2.14 -1.24 -0.97 118.94 117.74 1bn4 s TRP 97 Ca -0.08 -1.08 0.05 0.00 2.66 0.00 0.00 56.10 57.64 1bn4 s TRP 97 Cb -0.12 -0.24 0.01 0.00 -3.10 0.00 0.00 33.47 30.01 1bn4 s TRP 97 CO 0.02 -0.77 0.28 0.20 -2.66 0.00 0.00 176.95 174.02 1bn4 s GLY 98 N -3.09 2.49 0.14 3.67 0.00 -1.19 -1.19 107.32 108.15 1bn4 s GLY 98 Ca 0.30 -1.25 0.25 0.00 0.00 0.00 0.00 44.72 44.02 1bn4 s GLY 98 CO 0.09 -1.98 1.53 -1.14 0.00 0.00 0.00 173.10 171.60 1bn4 n SER 99 N -1.56 0.70 -4.16 1.64 3.41 -1.26 -4.39 113.62 107.99 1bn4 n SER 99 Ca -0.05 0.29 -0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1bn4 n SER 99 Cb 0.65 -0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 1bn4 n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bn4 s LEU 100 N -4.21 2.45 0.57 1.04 1.43 -1.26 -5.06 118.68 113.64 1bn4 s LEU 100 Ca 0.09 -0.89 0.34 0.00 -1.03 0.00 0.00 54.13 52.64 1bn4 s LEU 100 Cb 0.13 -0.18 1.70 0.00 0.03 0.00 0.00 46.19 47.87 1bn4 s LEU 100 CO 0.66 -0.36 2.13 0.44 0.23 0.00 0.00 176.35 179.46 1bn4 h ASP 101 N 3.33 0.00 -0.22 2.29 3.32 -1.92 -3.00 116.42 120.22 1bn4 h ASP 101 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1bn4 h ASP 101 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1bn4 h ASP 101 CO 0.58 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.76 1bn4 n GLY 102 N -0.61 1.02 3.63 2.75 0.00 -1.26 -3.33 105.19 107.39 1bn4 n GLY 102 Ca -0.01 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1bn4 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bn4 s GLN 103 N -1.63 1.52 0.00 1.61 -2.07 -1.14 -4.68 119.66 113.27 1bn4 s GLN 103 Ca 0.17 -0.82 0.00 0.00 -1.82 0.00 0.00 55.36 52.89 1bn4 s GLN 103 Cb 0.11 0.57 0.00 0.00 -1.09 0.00 0.00 33.01 32.60 1bn4 s GLN 103 CO 0.08 -0.68 0.00 0.41 -1.32 0.00 0.00 175.29 173.79 1bn4 n GLY 104 N -0.40 4.72 3.79 2.60 0.00 -1.08 -3.40 105.19 111.43 1bn4 n GLY 104 Ca -0.09 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 1bn4 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bn4 s SER 105 N 0.00 5.39 -0.21 1.61 1.04 -0.62 -3.61 113.70 117.29 1bn4 s SER 105 Ca 0.00 1.84 -0.17 0.00 0.48 0.00 0.00 55.95 58.10 1bn4 s SER 105 Cb 0.00 -2.53 -0.18 0.00 0.10 0.00 0.00 66.02 63.41 1bn4 s SER 105 CO 0.00 -1.44 0.09 -0.62 0.98 0.00 0.00 173.24 172.25 1bn4 n GLU 106 N -2.49 0.60 -2.82 4.02 1.02 -1.26 -4.82 120.64 114.90 1bn4 n GLU 106 Ca 0.09 0.44 -0.35 0.00 -0.02 0.00 0.00 57.16 57.33 1bn4 n GLU 106 Cb 0.53 -1.67 -0.07 0.00 -0.02 0.00 0.00 31.44 30.21 1bn4 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1bn4 s HIS 107 N -2.43 3.49 0.25 -0.32 3.76 -1.26 -4.40 115.29 114.37 1bn4 s HIS 107 Ca -0.31 1.66 0.09 0.00 -0.15 0.00 0.00 55.06 56.36 1bn4 s HIS 107 Cb 0.08 -2.86 -0.05 0.00 1.11 0.00 0.00 32.58 30.86 1bn4 s HIS 107 CO 0.59 0.05 -0.14 0.95 -0.85 0.00 0.00 174.74 175.34 1bn4 s THR 108 N -1.91 1.96 -0.22 1.30 -4.23 -1.17 -4.73 115.64 106.64 1bn4 s THR 108 Ca 0.56 -2.25 0.01 0.00 -1.18 0.00 0.00 61.69 58.84 1bn4 s THR 108 Cb -0.13 -2.25 0.05 0.00 1.34 0.00 0.00 72.50 71.50 1bn4 s THR 108 CO 0.18 -0.45 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.01 1bn4 s VAL 109 N -2.83 1.82 -1.46 2.29 1.01 -0.72 -0.63 120.40 119.88 1bn4 s VAL 109 Ca 0.27 -1.18 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 1bn4 s VAL 109 Cb -0.01 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.53 1bn4 s VAL 109 CO 0.11 0.14 0.87 0.47 0.00 0.00 0.00 175.10 176.69 1bn4 n ASP 110 N 4.61 -5.47 0.00 3.32 8.00 0.32 -0.34 116.55 126.99 1bn4 n ASP 110 Ca -0.15 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.83 1bn4 n ASP 110 Cb 0.46 -4.37 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 1bn4 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bn4 n LYS 111 N -4.46 0.00 -2.61 -1.24 4.76 -1.26 -5.00 118.16 108.34 1bn4 n LYS 111 Ca -0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 1bn4 n LYS 111 Cb 0.56 -2.43 -0.03 0.00 -1.84 0.00 0.00 35.03 31.29 1bn4 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1bn4 s LYS 112 N -0.09 4.54 -0.09 1.97 2.20 0.53 -4.99 119.74 123.81 1bn4 s LYS 112 Ca 0.00 1.54 -0.04 0.00 -0.36 0.00 0.00 55.97 57.11 1bn4 s LYS 112 Cb 0.00 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1bn4 s LYS 112 CO 0.00 -0.08 0.10 0.15 -0.36 0.00 0.00 175.35 175.16 1bn4 s LYS 113 N 0.86 3.28 0.39 4.03 1.02 -1.26 -1.76 119.74 126.30 1bn4 s LYS 113 Ca 0.53 -0.26 0.08 0.00 0.02 0.00 0.00 55.97 56.34 1bn4 s LYS 113 Cb -0.24 -3.04 -0.00 0.00 -0.52 0.00 0.00 37.83 34.02 1bn4 s LYS 113 CO 0.29 0.73 0.50 0.71 -0.92 0.00 0.00 175.35 176.66 1bn4 s TYR 114 N -1.04 2.89 0.38 3.18 1.51 -1.26 -4.62 117.35 118.38 1bn4 s TYR 114 Ca 0.17 -0.35 0.21 0.00 -1.01 0.00 0.00 57.07 56.08 1bn4 s TYR 114 Cb -0.12 -2.21 1.13 0.00 -0.11 0.00 0.00 41.96 40.65 1bn4 s TYR 114 CO 0.06 -0.23 1.97 0.00 -1.11 0.00 0.00 175.55 176.24 1bn4 h ALA 115 N 0.80 1.36 -2.60 3.71 0.00 -1.47 -1.58 119.26 119.47 1bn4 h ALA 115 Ca -0.42 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.42 1bn4 h ALA 115 Cb 1.27 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1bn4 h ALA 115 CO 0.50 0.26 0.45 0.00 0.00 0.00 0.00 179.25 180.45 1bn4 s ALA 116 N -4.22 -1.41 -0.13 0.00 0.00 -1.19 -3.19 121.76 111.62 1bn4 s ALA 116 Ca -0.03 -0.24 -0.06 0.00 0.00 0.00 0.00 51.96 51.63 1bn4 s ALA 116 Cb 0.14 0.71 0.05 0.00 0.00 0.00 0.00 23.12 24.02 1bn4 s ALA 116 CO 0.65 -1.04 0.31 -2.00 0.00 0.00 0.00 175.76 173.67 1bn4 s GLU 117 N -2.83 0.26 -0.13 0.00 2.12 -0.14 -1.99 118.70 115.99 1bn4 s GLU 117 Ca 0.16 0.66 -0.13 0.00 0.36 0.00 0.00 54.97 56.02 1bn4 s GLU 117 Cb -0.03 -0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.25 1bn4 s GLU 117 CO 0.06 -0.18 0.28 -1.17 -0.54 0.00 0.00 175.26 173.71 1bn4 s LEU 118 N 1.49 4.31 -0.20 2.70 2.96 0.46 -1.56 118.68 128.84 1bn4 s LEU 118 Ca -0.08 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.41 1bn4 s LEU 118 Cb -0.10 -2.34 0.04 0.00 0.50 0.00 0.00 46.19 44.29 1bn4 s LEU 118 CO -0.10 0.20 -0.13 -1.00 -1.32 0.00 0.00 176.35 173.99 1bn4 s HIS 119 N -0.08 2.71 -0.42 5.38 3.76 -0.19 -1.07 115.29 125.37 1bn4 s HIS 119 Ca 0.17 -1.76 -0.15 0.00 -0.15 0.00 0.00 55.06 53.17 1bn4 s HIS 119 Cb -0.13 -1.78 0.02 0.00 1.11 0.00 0.00 32.58 31.80 1bn4 s HIS 119 CO 0.05 -0.79 0.33 -0.51 -0.85 0.00 0.00 174.74 172.98 1bn4 s LEU 120 N 1.30 5.11 -0.14 0.89 1.43 -0.44 -1.77 118.68 125.06 1bn4 s LEU 120 Ca -0.01 -0.90 -0.21 0.00 -1.03 0.00 0.00 54.13 51.98 1bn4 s LEU 120 Cb -0.16 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 1bn4 s LEU 120 CO -0.09 -0.49 0.63 -0.69 0.23 0.00 0.00 176.35 175.94 1bn4 s VAL 121 N 1.76 5.05 0.09 -1.59 1.01 0.25 -1.44 120.40 125.53 1bn4 s VAL 121 Ca 0.06 1.23 0.07 0.00 0.00 0.00 0.00 61.98 63.34 1bn4 s VAL 121 Cb -0.19 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1bn4 s VAL 121 CO 0.10 0.19 -0.18 -1.00 0.00 0.00 0.00 175.10 174.21 1bn4 s HIS 122 N 1.36 1.54 0.03 5.22 3.76 -0.54 -0.88 115.29 125.78 1bn4 s HIS 122 Ca 0.31 -0.43 0.07 0.00 -0.15 0.00 0.00 55.06 54.86 1bn4 s HIS 122 Cb -0.16 -0.85 -0.02 0.00 1.11 0.00 0.00 32.58 32.65 1bn4 s HIS 122 CO 0.13 0.14 -0.21 1.67 -0.85 0.00 0.00 174.74 175.61 1bn4 s TRP 123 N -1.18 1.86 -0.21 1.40 1.48 -0.52 -1.32 118.94 120.44 1bn4 s TRP 123 Ca 0.03 -0.37 -0.29 0.00 -1.06 0.00 0.00 56.10 54.41 1bn4 s TRP 123 Cb -0.10 -1.12 -0.04 0.00 -1.16 0.00 0.00 33.47 31.05 1bn4 s TRP 123 CO 0.03 0.08 1.83 1.21 -4.06 0.00 0.00 176.95 176.04 1bn4 s ASN 124 N -1.08 6.08 0.66 -2.66 3.84 0.12 -1.12 114.94 120.78 1bn4 s ASN 124 Ca 0.08 1.73 0.41 0.00 0.21 0.00 0.00 52.86 55.29 1bn4 s ASN 124 Cb -0.09 -2.53 2.25 0.00 -0.55 0.00 0.00 41.25 40.34 1bn4 s ASN 124 CO 0.01 -1.49 2.30 0.71 -2.79 0.00 0.00 177.10 175.84 1bn4 h THR 125 N 6.45 0.07 0.00 -5.21 1.35 -1.56 -1.88 112.91 112.13 1bn4 h THR 125 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1bn4 h THR 125 Cb 1.18 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1bn4 h THR 125 CO 0.99 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.33 1bn4 h LYS 127 N 0.00 0.00 -0.29 4.72 2.10 -1.91 -2.60 116.57 118.58 1bn4 h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1bn4 h LYS 127 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1bn4 h LYS 127 CO -0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1bn4 n TYR 128 N -2.39 0.38 0.00 0.07 4.01 -0.71 -4.98 117.16 113.54 1bn4 n TYR 128 Ca 0.01 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1bn4 n TYR 128 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1bn4 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bn4 n GLY 129 N 1.18 1.58 3.35 2.72 0.00 -0.98 -4.48 105.19 108.56 1bn4 n GLY 129 Ca 0.15 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1bn4 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1bn4 s ASP 130 N 0.00 0.07 0.24 1.61 1.47 -1.26 -5.04 116.67 113.75 1bn4 s ASP 130 Ca 0.00 -1.21 -0.06 0.00 1.18 0.00 0.00 52.55 52.45 1bn4 s ASP 130 Cb 0.00 0.46 0.30 0.00 -0.34 0.00 0.00 42.92 43.35 1bn4 s ASP 130 CO 0.00 -0.96 1.86 0.15 0.68 0.00 0.00 175.17 176.90 1bn4 h PHE 131 N 2.47 1.00 -0.53 2.11 3.57 -1.94 -1.64 116.94 121.97 1bn4 h PHE 131 Ca -0.32 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.20 1bn4 h PHE 131 Cb 1.25 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1bn4 h PHE 131 CO 0.38 0.53 0.32 0.78 -2.23 0.00 0.00 178.31 178.09 1bn4 h GLY 132 N 1.00 0.77 1.54 2.40 0.00 -1.97 -1.65 103.07 105.16 1bn4 h GLY 132 Ca 0.36 -0.31 -0.24 0.00 0.00 0.00 0.00 47.33 47.14 1bn4 h GLY 132 CO -0.15 0.30 -1.03 0.50 0.00 0.00 0.00 176.54 176.16 1bn4 h LYS 133 N 0.73 0.40 -0.70 4.80 1.79 -1.71 -3.25 116.57 118.63 1bn4 h LYS 133 Ca 0.19 -0.48 0.04 0.00 -2.18 0.00 0.00 60.65 58.22 1bn4 h LYS 133 Cb -0.02 0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 1bn4 h LYS 133 CO -0.04 1.15 0.46 0.00 -1.08 0.00 0.00 179.45 179.95 1bn4 h ALA 134 N 0.67 1.61 0.00 3.86 0.00 -0.57 -1.50 119.26 123.33 1bn4 h ALA 134 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bn4 h ALA 134 Cb 1.68 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1bn4 h ALA 134 CO 0.18 0.32 0.00 1.33 0.00 0.00 0.00 179.25 181.07 1bn4 n VAL 135 N -4.46 0.00 -0.18 0.00 0.24 -0.69 -1.87 118.33 111.37 1bn4 n VAL 135 Ca 0.09 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.43 1bn4 n VAL 135 Cb 0.13 -0.17 0.12 0.00 -1.47 0.00 0.00 33.84 32.46 1bn4 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bn4 n GLN 136 N -0.55 2.89 -4.65 7.34 6.02 -0.56 -4.92 117.38 122.94 1bn4 n GLN 136 Ca 0.02 -1.96 -0.24 0.00 -0.01 0.00 0.00 57.00 54.81 1bn4 n GLN 136 Cb 0.01 -1.23 -0.14 0.00 1.02 0.00 0.00 30.24 29.89 1bn4 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1bn4 s GLN 137 N -1.10 1.28 0.63 -1.09 -1.52 -0.78 -5.02 119.66 112.06 1bn4 s GLN 137 Ca 0.18 -0.74 0.39 0.00 -1.95 0.00 0.00 55.36 53.25 1bn4 s GLN 137 Cb 0.10 -1.29 2.16 0.00 -0.22 0.00 0.00 33.01 33.76 1bn4 s GLN 137 CO 0.12 0.34 2.31 -1.00 -0.25 0.00 0.00 175.29 176.80 1bn4 h PRO 138 N 5.30 0.00 0.00 2.91 0.13 -1.86 -1.32 132.00 137.16 1bn4 h PRO 138 Ca -0.39 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1bn4 h PRO 138 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 1bn4 h PRO 138 CO 0.46 0.01 -0.54 -0.40 -0.23 0.00 0.00 178.00 177.29 1bn4 n ASP 139 N -3.32 1.64 0.07 1.44 5.75 -1.26 -4.27 116.55 116.60 1bn4 n ASP 139 Ca -0.03 -3.61 -0.08 0.00 -0.01 0.00 0.00 54.79 51.07 1bn4 n ASP 139 Cb 0.10 -0.49 0.06 0.00 -1.03 0.00 0.00 41.12 39.76 1bn4 n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1bn4 h GLY 140 N 0.94 0.34 -3.26 6.12 0.00 -1.05 -3.43 103.07 102.74 1bn4 h GLY 140 Ca -0.03 -0.46 -0.52 0.00 0.00 0.00 0.00 47.33 46.31 1bn4 h GLY 140 CO 0.01 0.41 -0.78 1.08 0.00 0.00 0.00 176.54 177.27 1bn4 s LEU 141 N -7.88 2.44 -0.09 3.11 1.43 -0.08 0.12 118.68 117.73 1bn4 s LEU 141 Ca -0.05 -0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 52.17 1bn4 s LEU 141 Cb 0.11 -0.83 0.04 0.00 0.03 0.00 0.00 46.19 45.53 1bn4 s LEU 141 CO 0.82 -0.03 0.02 0.00 0.23 0.00 0.00 176.35 177.39 1bn4 s ALA 142 N -2.07 0.66 -0.13 4.21 0.00 -0.44 -1.00 121.76 122.99 1bn4 s ALA 142 Ca 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 1bn4 s ALA 142 Cb -0.06 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1bn4 s ALA 142 CO 0.07 -0.63 -0.12 0.08 0.00 0.00 0.00 175.76 175.16 1bn4 s VAL 143 N 2.00 3.18 -0.31 0.00 1.01 -1.00 -1.46 120.40 123.82 1bn4 s VAL 143 Ca 0.04 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 1bn4 s VAL 143 Cb -0.13 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1bn4 s VAL 143 CO -0.06 0.52 0.39 -0.22 0.00 0.00 0.00 175.10 175.73 1bn4 s LEU 144 N 0.35 4.22 -0.17 3.92 0.20 -0.52 -1.75 118.68 124.92 1bn4 s LEU 144 Ca -0.10 0.06 -0.07 0.00 0.69 0.00 0.00 54.13 54.71 1bn4 s LEU 144 Cb -0.16 -2.42 -0.04 0.00 -0.43 0.00 0.00 46.19 43.14 1bn4 s LEU 144 CO 0.05 -0.28 0.07 -0.83 -0.29 0.00 0.00 176.35 175.07 1bn4 s GLY 145 N 1.69 1.94 -0.08 7.98 0.00 0.27 -1.33 107.32 117.80 1bn4 s GLY 145 Ca 0.14 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.14 1bn4 s GLY 145 CO 0.11 -0.03 -0.07 -0.42 0.00 0.00 0.00 173.10 172.69 1bn4 s ILE 146 N 0.13 0.86 0.34 0.90 1.01 -0.23 -1.65 121.20 122.56 1bn4 s ILE 146 Ca 0.05 -0.26 -0.24 0.00 0.00 0.00 0.00 60.65 60.21 1bn4 s ILE 146 Cb -0.12 -0.86 -0.10 0.00 0.01 0.00 0.00 42.46 41.39 1bn4 s ILE 146 CO 0.00 0.31 0.92 -0.36 0.00 0.00 0.00 174.94 175.82 1bn4 s PHE 147 N 1.20 3.59 -0.11 3.97 0.08 -1.26 -0.40 117.98 125.05 1bn4 s PHE 147 Ca -0.05 1.69 0.03 0.00 0.12 0.00 0.00 56.93 58.72 1bn4 s PHE 147 Cb -0.14 -2.87 -0.00 0.00 -0.57 0.00 0.00 43.02 39.44 1bn4 s PHE 147 CO -0.02 0.15 -0.22 -0.51 -0.10 0.00 0.00 175.22 174.51 1bn4 s LEU 148 N -2.33 2.18 0.13 -0.37 1.02 -0.84 -1.03 118.68 117.43 1bn4 s LEU 148 Ca 0.52 -0.54 0.09 0.00 0.02 0.00 0.00 54.13 54.23 1bn4 s LEU 148 Cb -0.16 -1.44 -0.04 0.00 0.02 0.00 0.00 46.19 44.57 1bn4 s LEU 148 CO 0.21 0.15 -0.18 -1.59 0.02 0.00 0.00 176.35 174.95 1bn4 s LYS 149 N 0.43 1.76 -0.02 1.70 -2.85 0.11 -2.43 119.74 118.45 1bn4 s LYS 149 Ca -0.16 -1.21 -0.30 0.00 -1.00 0.00 0.00 55.97 53.30 1bn4 s LYS 149 Cb -0.17 -2.09 -0.03 0.00 -2.06 0.00 0.00 37.83 33.48 1bn4 s LYS 149 CO 0.07 0.47 1.01 0.08 0.10 0.00 0.00 175.35 177.08 1bn4 s VAL 150 N -1.20 4.76 0.00 1.79 1.01 -1.26 -0.71 120.40 124.79 1bn4 s VAL 150 Ca 0.18 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.15 1bn4 s VAL 150 Cb -0.10 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1bn4 s VAL 150 CO 0.10 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1bn4 n GLY 151 N 2.98 0.67 3.84 4.51 0.00 0.43 -4.84 105.19 112.78 1bn4 n GLY 151 Ca 0.07 0.46 -0.32 0.00 0.00 0.00 0.00 46.02 46.23 1bn4 n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bn4 s SER 152 N 2.00 6.76 0.58 1.61 1.04 -1.26 -3.97 113.70 120.47 1bn4 s SER 152 Ca 0.00 1.40 -0.20 0.00 0.48 0.00 0.00 55.95 57.62 1bn4 s SER 152 Cb 0.00 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 1bn4 s SER 152 CO 0.00 -0.32 1.33 0.00 0.98 0.00 0.00 173.24 175.23 1bn4 s ALA 153 N -2.16 2.65 -0.40 5.32 0.00 -1.26 -2.63 121.76 123.27 1bn4 s ALA 153 Ca 0.56 1.28 -0.13 0.00 0.00 0.00 0.00 51.96 53.68 1bn4 s ALA 153 Cb -0.10 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.50 1bn4 s ALA 153 CO 0.20 -1.44 0.26 0.21 0.00 0.00 0.00 175.76 174.99 1bn4 s LYS 154 N -3.09 2.85 0.17 0.00 2.47 -1.24 -4.77 119.74 116.13 1bn4 s LYS 154 Ca 0.76 -1.15 -0.16 0.00 -1.56 0.00 0.00 55.97 53.86 1bn4 s LYS 154 Cb -0.39 -3.86 0.11 0.00 -1.46 0.00 0.00 37.83 32.23 1bn4 s LYS 154 CO 0.44 -0.79 1.67 -1.35 0.16 0.00 0.00 175.35 175.48 1bn4 h PRO 155 N 8.53 0.03 0.00 4.03 0.11 -1.92 -1.71 132.00 141.07 1bn4 h PRO 155 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1bn4 h PRO 155 Cb 1.11 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1bn4 h PRO 155 CO 0.72 0.02 0.00 0.41 -0.21 0.00 0.00 178.00 178.94 1bn4 n GLY 156 N -1.30 -0.83 0.09 -0.55 0.00 -1.26 -1.68 105.19 99.65 1bn4 n GLY 156 Ca 0.03 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.23 1bn4 n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bn4 n LEU 157 N -2.07 0.72 -0.26 0.99 7.94 -0.65 -4.40 117.00 119.26 1bn4 n LEU 157 Ca -0.01 0.30 0.08 0.00 -1.11 0.00 0.00 56.01 55.28 1bn4 n LEU 157 Cb 0.05 0.05 0.32 0.00 0.53 0.00 0.00 43.42 44.37 1bn4 n LEU 157 CO 0.09 0.05 1.23 -0.61 -1.11 0.00 0.00 177.39 177.03 1bn4 h GLN 158 N 0.00 0.80 -0.98 1.96 5.75 -1.26 -0.97 115.11 120.40 1bn4 h GLN 158 Ca -0.12 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.39 1bn4 h GLN 158 Cb 1.38 -0.18 -0.06 0.00 1.07 0.00 0.00 27.48 29.69 1bn4 h GLN 158 CO 0.03 0.53 0.64 -0.22 -2.65 0.00 0.00 178.83 177.15 1bn4 h LYS 159 N 0.82 1.15 -0.15 1.69 3.64 -1.77 0.16 116.57 122.10 1bn4 h LYS 159 Ca 0.40 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.65 1bn4 h LYS 159 Cb 0.45 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1bn4 h LYS 159 CO -0.17 0.76 -0.16 0.28 -2.27 0.00 0.00 179.45 177.88 1bn4 h VAL 160 N 1.18 1.35 -0.77 2.00 2.07 -1.48 -3.12 116.25 117.48 1bn4 h VAL 160 Ca 0.41 -1.33 0.04 0.00 0.82 0.00 0.00 66.70 66.64 1bn4 h VAL 160 Cb 0.11 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1bn4 h VAL 160 CO -0.15 0.39 0.50 0.58 0.02 0.00 0.00 177.57 178.92 1bn4 h VAL 161 N 0.02 1.10 0.00 2.57 2.07 -0.55 -2.61 116.25 118.85 1bn4 h VAL 161 Ca 0.02 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1bn4 h VAL 161 Cb 0.70 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1bn4 h VAL 161 CO 0.04 0.17 -0.32 0.44 0.02 0.00 0.00 177.57 177.92 1bn4 h ASP 162 N 0.90 0.00 0.53 0.57 3.32 -0.67 -3.05 116.42 118.02 1bn4 h ASP 162 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1bn4 h ASP 162 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1bn4 h ASP 162 CO -0.10 0.32 -0.39 0.55 -1.72 0.00 0.00 179.24 177.90 1bn4 n VAL 163 N -3.92 0.00 0.05 -1.35 3.14 -0.99 -4.28 118.33 110.98 1bn4 n VAL 163 Ca -0.02 -0.02 0.17 0.00 -2.96 0.00 0.00 64.34 61.52 1bn4 n VAL 163 Cb 0.38 0.16 0.67 0.00 -1.06 0.00 0.00 33.84 33.99 1bn4 n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1bn4 h LEU 164 N 0.16 0.03 -1.14 6.55 3.38 -1.50 -2.05 115.31 120.73 1bn4 h LEU 164 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1bn4 h LEU 164 Cb 0.49 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1bn4 h LEU 164 CO 0.00 0.02 0.60 0.44 0.09 0.00 0.00 178.44 179.58 1bn4 h ASP 165 N 0.03 0.87 0.77 -0.43 3.32 -1.81 -2.08 116.42 117.08 1bn4 h ASP 165 Ca 0.20 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1bn4 h ASP 165 Cb 0.77 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1bn4 h ASP 165 CO -0.01 0.51 -0.06 -1.54 -1.72 0.00 0.00 179.24 176.42 1bn4 n SER 166 N -4.53 0.10 -2.30 6.45 3.41 -0.77 -3.65 113.62 112.33 1bn4 n SER 166 Ca 0.16 0.14 -0.16 0.00 -0.26 0.00 0.00 58.87 58.75 1bn4 n SER 166 Cb 0.28 -0.32 0.03 0.00 -0.26 0.00 0.00 64.21 63.94 1bn4 n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1bn4 n ILE 167 N -1.39 2.10 -0.29 -1.33 -5.35 -0.79 -4.69 119.36 107.62 1bn4 n ILE 167 Ca 0.09 -3.79 0.01 0.00 -0.27 0.00 0.00 62.75 58.79 1bn4 n ILE 167 Cb 0.31 -0.32 0.21 0.00 -1.74 0.00 0.00 39.64 38.09 1bn4 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1bn4 h LYS 168 N 2.33 1.08 -6.19 6.28 3.64 -1.60 -3.41 116.57 118.71 1bn4 h LYS 168 Ca 0.20 -0.06 -0.54 0.00 -1.27 0.00 0.00 60.65 58.97 1bn4 h LYS 168 Cb 1.44 -0.24 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 1bn4 h LYS 168 CO 0.57 0.71 -0.60 0.95 -2.27 0.00 0.00 179.45 178.81 1bn4 s THR 169 N -5.94 3.59 0.21 1.00 -4.23 -1.26 -0.12 115.64 108.88 1bn4 s THR 169 Ca -0.12 -1.78 -0.32 0.00 -1.18 0.00 0.00 61.69 58.29 1bn4 s THR 169 Cb 0.19 -2.98 -0.14 0.00 1.34 0.00 0.00 72.50 70.91 1bn4 s THR 169 CO 0.80 -0.34 1.43 1.17 -0.54 0.00 0.00 174.62 177.14 1bn4 n LYS 170 N -0.99 1.96 0.00 3.99 4.81 0.20 -2.18 118.16 125.94 1bn4 n LYS 170 Ca -0.06 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 1bn4 n LYS 170 Cb 0.59 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.27 1bn4 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bn4 n GLY 171 N 2.49 2.35 3.79 3.14 0.00 8.84 -4.55 105.19 121.26 1bn4 n GLY 171 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1bn4 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bn4 s LYS 172 N -0.67 4.40 0.10 1.61 1.02 -0.93 -4.88 119.74 120.39 1bn4 s LYS 172 Ca 0.00 1.35 -0.02 0.00 0.02 0.00 0.00 55.97 57.32 1bn4 s LYS 172 Cb 0.00 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 1bn4 s LYS 172 CO 0.00 0.10 0.04 -1.54 -0.92 0.00 0.00 175.35 173.03 1bn4 s SER 173 N -1.70 0.36 -0.07 2.83 1.04 -1.26 -1.36 113.70 113.55 1bn4 s SER 173 Ca 0.54 -1.08 -0.15 0.00 0.48 0.00 0.00 55.95 55.74 1bn4 s SER 173 Cb -0.18 0.27 0.03 0.00 0.10 0.00 0.00 66.02 66.24 1bn4 s SER 173 CO 0.23 -0.68 0.37 0.00 0.98 0.00 0.00 173.24 174.13 1bn4 s ALA 174 N -3.98 -0.92 0.29 5.32 0.00 -0.19 -4.91 121.76 117.37 1bn4 s ALA 174 Ca 0.16 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 1bn4 s ALA 174 Cb 0.07 -0.20 -0.11 0.00 0.00 0.00 0.00 23.12 22.88 1bn4 s ALA 174 CO -0.04 -0.24 1.48 -0.51 0.00 0.00 0.00 175.76 176.46 1bn4 s ASP 175 N -0.73 6.53 -0.42 0.00 1.01 -1.26 -1.62 116.67 120.18 1bn4 s ASP 175 Ca -0.08 2.82 0.07 0.00 0.71 0.00 0.00 52.55 56.07 1bn4 s ASP 175 Cb -0.04 -2.64 0.24 0.00 1.01 0.00 0.00 42.92 41.49 1bn4 s ASP 175 CO 0.03 -0.78 0.58 0.33 0.21 0.00 0.00 175.17 175.55 1bn4 n PHE 176 N 1.85 -1.22 -2.96 4.23 7.35 -0.02 -4.79 117.46 121.92 1bn4 n PHE 176 Ca 0.06 -3.06 -0.23 0.00 -0.76 0.00 0.00 57.45 53.46 1bn4 n PHE 176 Cb 0.39 0.21 0.01 0.00 0.35 0.00 0.00 39.48 40.44 1bn4 n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bn4 s THR 177 N -0.55 3.86 -1.50 -2.13 -4.23 -1.25 -3.13 115.64 106.72 1bn4 s THR 177 Ca 0.34 -0.52 -0.04 0.00 -1.18 0.00 0.00 61.69 60.28 1bn4 s THR 177 Cb 0.16 -3.43 0.02 0.00 1.34 0.00 0.00 72.50 70.59 1bn4 s THR 177 CO -0.15 -0.30 0.44 0.59 -0.54 0.00 0.00 174.62 174.67 1bn4 n ASN 178 N -2.09 -5.43 -4.79 3.99 3.02 -1.25 -4.95 115.26 103.74 1bn4 n ASN 178 Ca 0.02 -0.22 -0.38 0.00 -0.03 0.00 0.00 54.58 53.97 1bn4 n ASN 178 Cb 0.58 -4.44 -0.06 0.00 -0.61 0.00 0.00 39.78 35.25 1bn4 n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1bn4 s PHE 179 N -3.06 3.63 -0.41 3.10 5.36 -1.26 -5.02 117.98 120.32 1bn4 s PHE 179 Ca 0.25 0.87 -0.13 0.00 -0.96 0.00 0.00 56.93 56.96 1bn4 s PHE 179 Cb -0.12 -2.33 0.04 0.00 -0.34 0.00 0.00 43.02 40.26 1bn4 s PHE 179 CO 0.31 0.47 0.28 0.34 -1.46 0.00 0.00 175.22 175.16 1bn4 s ASP 180 N -0.43 5.95 0.24 6.13 -1.08 -1.26 -4.49 116.67 121.73 1bn4 s ASP 180 Ca 0.22 -1.05 0.21 0.00 -0.52 0.00 0.00 52.55 51.41 1bn4 s ASP 180 Cb -0.15 -2.10 0.95 0.00 -1.46 0.00 0.00 42.92 40.15 1bn4 s ASP 180 CO 0.10 -0.47 1.64 -0.81 0.52 0.00 0.00 175.17 176.15 1bn4 n PRO 181 N 5.09 0.15 0.30 4.34 -0.04 -1.26 -2.41 135.00 141.17 1bn4 n PRO 181 Ca -0.11 0.47 0.19 0.00 -0.04 0.00 0.00 63.50 64.01 1bn4 n PRO 181 Cb 0.46 -1.84 0.91 0.00 -0.04 0.00 0.00 33.50 32.98 1bn4 n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bn4 h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.89 114.38 114.18 1bn4 h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bn4 h ARG 182 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1bn4 h ARG 182 CO 0.00 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1bn4 n GLY 183 N -0.53 -0.90 0.71 0.04 0.00 -1.01 -2.73 105.19 100.76 1bn4 n GLY 183 Ca -0.01 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.98 1bn4 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bn4 n LEU 184 N -1.16 2.45 -4.82 0.99 4.77 -0.71 -4.29 117.00 114.23 1bn4 n LEU 184 Ca 0.14 -0.96 -0.37 0.00 -0.03 0.00 0.00 56.01 54.79 1bn4 n LEU 184 Cb 0.14 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1bn4 n LEU 184 CO 0.15 0.43 0.33 -0.76 -1.33 0.00 0.00 177.39 176.22 1bn4 s LEU 185 N -1.71 4.40 1.05 2.23 1.43 -1.10 -4.93 118.68 120.04 1bn4 s LEU 185 Ca 0.21 1.29 -0.17 0.00 -1.03 0.00 0.00 54.13 54.43 1bn4 s LEU 185 Cb 0.16 -3.32 0.23 0.00 0.03 0.00 0.00 46.19 43.28 1bn4 s LEU 185 CO 0.28 0.12 1.24 -2.16 0.23 0.00 0.00 176.35 176.06 1bn4 s PRO 186 N -1.74 -0.03 0.12 1.29 0.04 -1.26 -4.98 135.00 128.43 1bn4 s PRO 186 Ca 0.38 -0.28 -0.13 0.00 0.04 0.00 0.00 61.00 61.02 1bn4 s PRO 186 Cb -0.17 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 1bn4 s PRO 186 CO 0.20 -2.89 1.40 0.93 0.04 0.00 0.00 177.00 176.68 1bn4 h GLU 187 N -1.98 0.84 -5.93 4.56 5.08 -1.92 -3.45 114.58 111.78 1bn4 h GLU 187 Ca -0.45 -0.53 -0.62 0.00 -1.00 0.00 0.00 59.36 56.77 1bn4 h GLU 187 Cb 1.26 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.52 1bn4 h GLU 187 CO 0.37 1.16 -0.42 0.45 -1.00 0.00 0.00 179.01 179.57 1bn4 s SER 188 N -6.88 6.44 -0.12 1.42 0.15 -1.26 -5.02 113.70 108.43 1bn4 s SER 188 Ca -0.11 0.45 0.16 0.00 0.70 0.00 0.00 55.95 57.15 1bn4 s SER 188 Cb 0.10 -2.04 0.58 0.00 -1.71 0.00 0.00 66.02 62.94 1bn4 s SER 188 CO 0.88 0.20 1.49 0.18 1.20 0.00 0.00 173.24 177.20 1bn4 n LEU 189 N 0.72 4.18 -4.75 3.45 4.77 -1.26 -4.73 117.00 119.38 1bn4 n LEU 189 Ca -0.08 -2.59 -0.38 0.00 -0.03 0.00 0.00 56.01 52.93 1bn4 n LEU 189 Cb 0.52 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1bn4 n LEU 189 CO 0.45 0.73 0.94 -1.81 -1.33 0.00 0.00 177.39 176.37 1bn4 s ASP 190 N -1.26 5.45 0.27 -1.43 1.01 -1.26 -4.71 116.67 114.75 1bn4 s ASP 190 Ca 0.43 2.64 -0.13 0.00 0.71 0.00 0.00 52.55 56.19 1bn4 s ASP 190 Cb 0.30 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1bn4 s ASP 190 CO 0.17 -1.43 0.53 -0.72 0.21 0.00 0.00 175.17 173.93 1bn4 s TYR 191 N -1.38 0.36 0.11 4.23 1.13 -1.26 -1.18 117.35 119.36 1bn4 s TYR 191 Ca 0.70 -0.74 0.09 0.00 -1.41 0.00 0.00 57.07 55.71 1bn4 s TYR 191 Cb -0.37 0.28 -0.04 0.00 -1.10 0.00 0.00 41.96 40.73 1bn4 s TYR 191 CO 0.44 -1.09 -0.18 -1.58 -2.51 0.00 0.00 175.55 170.63 1bn4 s TRP 192 N -3.74 2.54 -0.05 -3.49 0.51 -0.07 -0.99 118.94 113.64 1bn4 s TRP 192 Ca 0.21 -0.26 -0.09 0.00 -2.12 0.00 0.00 56.10 53.85 1bn4 s TRP 192 Cb -0.02 -1.35 0.02 0.00 -0.81 0.00 0.00 33.47 31.31 1bn4 s TRP 192 CO 0.10 0.38 0.21 -0.08 -0.51 0.00 0.00 176.95 177.06 1bn4 s THR 193 N -1.14 0.03 0.03 2.01 -1.32 -0.01 -1.12 115.64 114.13 1bn4 s THR 193 Ca 0.18 -0.25 -0.27 0.00 -1.21 0.00 0.00 61.69 60.14 1bn4 s THR 193 Cb -0.11 -0.39 0.08 0.00 -1.51 0.00 0.00 72.50 70.58 1bn4 s THR 193 CO 0.10 -0.14 0.73 -0.72 -2.21 0.00 0.00 174.62 172.38 1bn4 s TYR 194 N -0.47 -0.51 -0.01 9.09 1.13 -1.05 -1.53 117.35 123.99 1bn4 s TYR 194 Ca -0.06 0.55 -0.27 0.00 -1.41 0.00 0.00 57.07 55.89 1bn4 s TYR 194 Cb -0.04 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 1bn4 s TYR 194 CO 0.01 -0.66 0.84 -1.25 -2.51 0.00 0.00 175.55 171.98 1bn4 s PRO 195 N -2.62 4.51 0.00 -3.49 0.04 -1.26 -1.32 135.00 130.86 1bn4 s PRO 195 Ca -0.02 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1bn4 s PRO 195 Cb -0.01 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1bn4 s PRO 195 CO -0.04 0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.47 1bn4 n GLY 196 N 2.87 5.01 2.55 0.56 0.00 0.88 -4.83 105.19 112.23 1bn4 n GLY 196 Ca 0.02 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 1bn4 n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bn4 n SER 197 N 0.00 -0.65 -4.80 1.61 3.41 -1.07 -2.60 113.62 109.53 1bn4 n SER 197 Ca 0.00 -2.69 -0.34 0.00 -0.26 0.00 0.00 58.87 55.59 1bn4 n SER 197 Cb 0.00 1.44 -0.02 0.00 -0.26 0.00 0.00 64.21 65.37 1bn4 n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bn4 s LEU 198 N 0.00 3.78 0.00 1.04 1.43 -0.68 -4.52 118.68 119.73 1bn4 s LEU 198 Ca 0.30 1.92 0.21 0.00 -1.03 0.00 0.00 54.13 55.53 1bn4 s LEU 198 Cb 0.01 -4.56 0.57 0.00 0.03 0.00 0.00 46.19 42.25 1bn4 s LEU 198 CO 0.21 -0.88 1.46 0.35 0.23 0.00 0.00 176.35 177.73 1bn4 n THR 199 N -1.18 0.38 -4.17 5.49 -2.24 -1.26 -4.50 114.28 106.80 1bn4 n THR 199 Ca 0.09 -0.54 -0.11 0.00 -2.27 0.00 0.00 64.05 61.22 1bn4 n THR 199 Cb 0.52 0.62 -0.10 0.00 -2.10 0.00 0.00 70.33 69.27 1bn4 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1bn4 s THR 200 N -1.62 0.73 0.55 4.28 -4.23 -1.26 -4.69 115.64 109.40 1bn4 s THR 200 Ca 0.35 -1.88 -0.21 0.00 -1.18 0.00 0.00 61.69 58.77 1bn4 s THR 200 Cb 0.19 -1.62 -0.06 0.00 1.34 0.00 0.00 72.50 72.36 1bn4 s THR 200 CO 0.28 -0.82 1.07 -2.65 -0.54 0.00 0.00 174.62 171.95 1bn4 n PRO 201 N 0.06 1.19 0.00 3.99 -0.02 -1.26 -0.24 135.00 138.72 1bn4 n PRO 201 Ca -0.13 0.44 0.04 0.00 -2.02 0.00 0.00 63.50 61.83 1bn4 n PRO 201 Cb 0.60 -2.24 0.21 0.00 -0.02 0.00 0.00 33.50 32.06 1bn4 n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1bn4 n PRO 202 N -0.74 0.54 -2.94 0.52 -0.04 -1.26 -4.99 135.00 126.08 1bn4 n PRO 202 Ca 0.12 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 1bn4 n PRO 202 Cb 0.45 -1.20 0.01 0.00 -0.04 0.00 0.00 33.50 32.71 1bn4 n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bn4 n LEU 203 N -0.70 -1.75 -4.75 1.53 4.77 0.66 -4.90 117.00 111.87 1bn4 n LEU 203 Ca 0.05 -0.17 -0.41 0.00 -0.03 0.00 0.00 56.01 55.45 1bn4 n LEU 203 Cb 0.02 -2.40 -0.02 0.00 -2.33 0.00 0.00 43.42 38.69 1bn4 n LEU 203 CO 0.04 0.07 1.21 -0.76 -1.33 0.00 0.00 177.39 176.61 1bn4 s LEU 204 N -6.25 4.35 -1.29 2.23 1.43 -1.26 -4.41 118.68 113.48 1bn4 s LEU 204 Ca 0.23 2.89 -0.09 0.00 -1.03 0.00 0.00 54.13 56.12 1bn4 s LEU 204 Cb -0.12 -3.63 0.16 0.00 0.03 0.00 0.00 46.19 42.63 1bn4 s LEU 204 CO 0.29 -0.86 1.92 -0.62 0.23 0.00 0.00 176.35 177.31 1bn4 n GLU 205 N 2.15 3.66 -0.05 1.70 1.02 -1.26 -1.69 120.64 126.17 1bn4 n GLU 205 Ca 0.08 -3.49 0.02 0.00 -0.02 0.00 0.00 57.16 53.75 1bn4 n GLU 205 Cb 0.38 -2.92 0.03 0.00 -0.02 0.00 0.00 31.44 28.91 1bn4 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bn4 s VAL 207 N -1.08 4.33 -0.40 0.00 1.01 -1.07 -0.90 120.40 122.30 1bn4 s VAL 207 Ca 0.06 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.68 1bn4 s VAL 207 Cb 0.05 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.55 1bn4 s VAL 207 CO 0.01 0.51 0.30 -0.89 0.00 0.00 0.00 175.10 175.03 1bn4 s THR 208 N 0.05 5.25 0.09 3.92 2.01 -0.17 -0.08 115.64 126.71 1bn4 s THR 208 Ca 0.03 -0.58 -0.24 0.00 0.31 0.00 0.00 61.69 61.21 1bn4 s THR 208 Cb -0.13 -3.91 -0.07 0.00 0.01 0.00 0.00 72.50 68.41 1bn4 s THR 208 CO 0.02 -0.27 0.72 0.26 -0.69 0.00 0.00 174.62 174.65 1bn4 s TRP 209 N 1.72 3.81 -0.27 4.92 0.52 -0.43 -2.37 118.94 126.83 1bn4 s TRP 209 Ca 0.06 1.47 -0.01 0.00 0.02 0.00 0.00 56.10 57.64 1bn4 s TRP 209 Cb -0.19 -2.73 0.09 0.00 -1.15 0.00 0.00 33.47 29.49 1bn4 s TRP 209 CO 0.10 0.42 0.06 0.42 0.02 0.00 0.00 176.95 177.97 1bn4 s ILE 210 N -0.63 0.94 -0.27 2.03 1.01 -0.71 -2.52 121.20 121.05 1bn4 s ILE 210 Ca 0.35 -1.22 -0.08 0.00 0.00 0.00 0.00 60.65 59.70 1bn4 s ILE 210 Cb -0.21 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 1bn4 s ILE 210 CO 0.23 -0.49 0.10 -0.69 0.00 0.00 0.00 174.94 174.09 1bn4 s VAL 211 N 1.61 4.50 0.25 2.92 1.01 -0.28 -0.57 120.40 129.85 1bn4 s VAL 211 Ca 0.05 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1bn4 s VAL 211 Cb -0.17 -3.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 1bn4 s VAL 211 CO -0.18 0.27 1.22 -0.76 0.00 0.00 0.00 175.10 175.65 1bn4 s LEU 212 N 1.63 4.47 0.13 3.92 1.43 -0.66 -0.89 118.68 128.71 1bn4 s LEU 212 Ca 0.06 2.40 -0.14 0.00 -1.03 0.00 0.00 54.13 55.42 1bn4 s LEU 212 Cb -0.16 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 1bn4 s LEU 212 CO 0.05 -0.38 1.58 0.50 0.23 0.00 0.00 176.35 178.33 1bn4 h LYS 213 N 4.38 0.75 -5.74 1.70 3.64 -1.49 -3.43 116.57 116.36 1bn4 h LYS 213 Ca -0.46 -0.24 -0.59 0.00 -1.27 0.00 0.00 60.65 58.09 1bn4 h LYS 213 Cb 1.22 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.88 1bn4 h LYS 213 CO 0.71 0.82 0.34 -2.00 -2.27 0.00 0.00 179.45 177.05 1bn4 s GLU 214 N -5.01 4.20 0.50 1.90 2.12 -1.26 -5.03 118.70 116.11 1bn4 s GLU 214 Ca -0.13 0.83 -0.07 0.00 0.36 0.00 0.00 54.97 55.96 1bn4 s GLU 214 Cb 0.10 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1bn4 s GLU 214 CO 0.80 -0.42 0.83 -1.25 -0.54 0.00 0.00 175.26 174.68 1bn4 s PRO 215 N 2.50 3.58 0.13 4.30 0.04 -1.26 -4.69 135.00 139.59 1bn4 s PRO 215 Ca 0.33 0.33 0.02 0.00 0.04 0.00 0.00 61.00 61.73 1bn4 s PRO 215 Cb -0.16 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 1bn4 s PRO 215 CO 0.09 -0.26 0.23 0.96 0.04 0.00 0.00 177.00 178.06 1bn4 s ILE 216 N -2.79 5.16 0.02 0.56 -4.36 -0.19 -4.91 121.20 114.68 1bn4 s ILE 216 Ca 0.49 -0.69 0.02 0.00 -0.26 0.00 0.00 60.65 60.22 1bn4 s ILE 216 Cb -0.10 -3.61 -0.04 0.00 1.25 0.00 0.00 42.46 39.96 1bn4 s ILE 216 CO 0.45 -0.03 0.02 -0.94 0.24 0.00 0.00 174.94 174.68 1bn4 s SER 217 N -2.99 5.19 0.07 4.36 1.04 -1.26 -0.71 113.70 119.40 1bn4 s SER 217 Ca 0.34 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.78 1bn4 s SER 217 Cb -0.11 -1.35 -0.03 0.00 0.10 0.00 0.00 66.02 64.62 1bn4 s SER 217 CO 0.27 0.25 -0.11 0.68 0.98 0.00 0.00 173.24 175.31 1bn4 s VAL 218 N -1.17 0.89 0.84 5.02 -7.23 0.11 -3.72 120.40 115.13 1bn4 s VAL 218 Ca 0.22 -1.36 -0.11 0.00 -1.81 0.00 0.00 61.98 58.92 1bn4 s VAL 218 Cb -0.12 -1.04 0.09 0.00 0.56 0.00 0.00 36.38 35.88 1bn4 s VAL 218 CO 0.13 -0.39 1.10 -0.94 -0.31 0.00 0.00 175.10 174.69 1bn4 s SER 219 N -1.94 4.06 0.21 4.85 1.04 -1.17 -0.43 113.70 120.32 1bn4 s SER 219 Ca -0.02 1.38 -0.09 0.00 0.48 0.00 0.00 55.95 57.70 1bn4 s SER 219 Cb -0.08 -2.08 0.17 0.00 0.10 0.00 0.00 66.02 64.13 1bn4 s SER 219 CO 0.01 -2.25 1.85 -1.28 0.98 0.00 0.00 173.24 172.54 1bn4 h SER 220 N -1.28 0.96 0.58 7.02 0.87 -1.94 -2.45 113.55 117.32 1bn4 h SER 220 Ca -0.48 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 59.91 1bn4 h SER 220 Cb 1.28 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1bn4 h SER 220 CO 0.57 0.76 -0.44 1.05 -0.53 0.00 0.00 176.83 178.24 1bn4 h GLU 221 N 1.09 0.00 0.04 2.24 9.09 -1.96 -0.60 114.58 124.47 1bn4 h GLU 221 Ca 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.69 1bn4 h GLU 221 Cb -0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.08 1bn4 h GLU 221 CO -0.05 0.44 -0.02 1.96 0.05 0.00 0.00 179.01 181.39 1bn4 h GLN 222 N 0.00 -0.05 0.00 1.06 4.20 -1.82 -2.83 115.11 115.67 1bn4 h GLN 222 Ca -0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1bn4 h GLN 222 Cb 0.85 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1bn4 h GLN 222 CO 0.06 0.39 -0.35 -0.24 -0.67 0.00 0.00 178.83 178.01 1bn4 h VAL 223 N -0.50 1.04 -1.00 -0.54 3.04 -1.45 -2.70 116.25 114.14 1bn4 h VAL 223 Ca -0.01 -1.31 0.03 0.00 -1.01 0.00 0.00 66.70 64.41 1bn4 h VAL 223 Cb 0.46 1.75 -0.06 0.00 -2.01 0.00 0.00 31.29 31.43 1bn4 h VAL 223 CO 0.01 0.35 0.66 0.25 -1.01 0.00 0.00 177.57 177.82 1bn4 h LEU 224 N 0.00 1.10 -1.64 3.16 5.85 -1.06 -1.38 115.31 121.35 1bn4 h LEU 224 Ca -0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1bn4 h LEU 224 Cb 0.73 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1bn4 h LEU 224 CO 0.05 0.75 -0.09 0.11 -0.34 0.00 0.00 178.44 178.92 1bn4 h LYS 225 N 1.27 0.00 -0.42 1.25 1.57 -1.22 -2.41 116.57 116.62 1bn4 h LYS 225 Ca 0.40 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.12 1bn4 h LYS 225 Cb -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1bn4 h LYS 225 CO -0.12 0.09 0.04 0.74 -0.57 0.00 0.00 179.45 179.62 1bn4 h PHE 226 N 0.00 0.76 0.00 -1.35 -1.00 -1.29 -2.92 116.94 111.14 1bn4 h PHE 226 Ca -0.00 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.66 1bn4 h PHE 226 Cb 0.48 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 39.84 1bn4 h PHE 226 CO 0.00 0.75 0.00 0.54 -1.61 0.00 0.00 178.31 177.99 1bn4 n ARG 227 N -4.47 0.12 0.00 1.51 1.74 -0.91 -2.31 116.66 112.35 1bn4 n ARG 227 Ca -0.00 0.21 0.13 0.00 -0.77 0.00 0.00 57.85 57.41 1bn4 n ARG 227 Cb 0.26 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.52 1bn4 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1bn4 n LYS 228 N -1.32 1.35 -1.28 5.56 5.02 -1.10 -4.37 118.16 122.02 1bn4 n LYS 228 Ca 0.05 -0.92 -0.30 0.00 -2.02 0.00 0.00 58.31 55.12 1bn4 n LYS 228 Cb 0.09 -1.48 0.12 0.00 -0.02 0.00 0.00 35.03 33.74 1bn4 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bn4 s LEU 229 N -2.28 2.44 -0.02 -0.35 2.01 -0.98 -4.87 118.68 114.63 1bn4 s LEU 229 Ca 0.28 1.51 0.08 0.00 0.01 0.00 0.00 54.13 56.00 1bn4 s LEU 229 Cb 0.20 -4.01 -0.02 0.00 0.01 0.00 0.00 46.19 42.37 1bn4 s LEU 229 CO 0.45 -2.42 -0.26 0.20 1.01 0.00 0.00 176.35 175.33 1bn4 s ASN 230 N -3.50 3.03 0.11 2.29 0.02 0.83 -0.26 114.94 117.45 1bn4 s ASN 230 Ca 0.63 -0.47 -0.08 0.00 -1.02 0.00 0.00 52.86 51.92 1bn4 s ASN 230 Cb -0.17 -0.41 -0.14 0.00 0.02 0.00 0.00 41.25 40.56 1bn4 s ASN 230 CO 0.56 0.31 1.27 -0.26 0.02 0.00 0.00 177.10 179.00 1bn4 h PHE 231 N 5.57 0.77 -4.28 2.20 0.04 -1.07 -3.34 116.94 116.84 1bn4 h PHE 231 Ca -0.41 -0.41 -0.48 0.00 2.80 0.00 0.00 57.97 59.46 1bn4 h PHE 231 Cb 1.13 -0.09 0.12 0.00 2.20 0.00 0.00 35.95 39.31 1bn4 h PHE 231 CO 0.40 1.24 0.33 0.54 -0.60 0.00 0.00 178.31 180.21 1bn4 s ASN 232 N -7.15 4.30 0.64 2.17 4.22 -1.26 -4.42 114.94 113.45 1bn4 s ASN 232 Ca -0.07 1.26 -0.06 0.00 -2.14 0.00 0.00 52.86 51.85 1bn4 s ASN 232 Cb 0.08 -1.96 0.03 0.00 1.28 0.00 0.00 41.25 40.68 1bn4 s ASN 232 CO 0.89 -2.08 0.95 -0.83 -2.04 0.00 0.00 177.10 173.98 1bn4 s GLY 233 N -3.91 1.65 0.35 0.45 0.00 -1.26 -1.37 107.32 103.23 1bn4 s GLY 233 Ca 0.61 -0.83 -0.29 0.00 0.00 0.00 0.00 44.72 44.22 1bn4 s GLY 233 CO 0.54 -0.49 1.43 1.85 0.00 0.00 0.00 173.10 176.44 1bn4 s GLU 234 N -5.10 4.20 0.00 2.90 2.12 -1.26 -2.07 118.70 119.49 1bn4 s GLU 234 Ca 0.57 2.44 0.00 0.00 0.36 0.00 0.00 54.97 58.34 1bn4 s GLU 234 Cb -0.11 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.27 1bn4 s GLU 234 CO 0.45 -0.42 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 1bn4 n GLY 235 N 0.81 2.03 3.97 -1.50 0.00 -1.26 -5.02 105.19 104.21 1bn4 n GLY 235 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1bn4 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bn4 s GLU 236 N -0.30 2.95 0.30 1.61 2.02 -0.88 -5.03 118.70 119.38 1bn4 s GLU 236 Ca 0.00 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 54.00 1bn4 s GLU 236 Cb 0.00 -2.61 -0.11 0.00 0.10 0.00 0.00 34.13 31.51 1bn4 s GLU 236 CO 0.00 -0.29 1.55 -2.14 0.02 0.00 0.00 175.26 174.40 1bn4 s PRO 237 N -4.51 4.14 0.17 0.39 0.02 -1.26 -4.90 135.00 129.05 1bn4 s PRO 237 Ca 0.50 2.54 -0.30 0.00 0.02 0.00 0.00 61.00 63.75 1bn4 s PRO 237 Cb -0.10 -3.02 -0.08 0.00 0.02 0.00 0.00 34.50 31.31 1bn4 s PRO 237 CO 0.36 -0.58 1.34 -2.00 -0.33 0.00 0.00 177.00 175.79 1bn4 s GLU 238 N -0.78 4.36 -0.17 5.54 2.12 -1.26 -4.75 118.70 123.75 1bn4 s GLU 238 Ca 0.61 2.07 -0.03 0.00 0.36 0.00 0.00 54.97 57.97 1bn4 s GLU 238 Cb -0.47 -3.21 0.06 0.00 0.26 0.00 0.00 34.13 30.77 1bn4 s GLU 238 CO 0.50 -0.33 0.05 -2.00 -0.54 0.00 0.00 175.26 172.94 1bn4 s GLU 239 N 0.34 0.43 0.32 4.30 2.12 -1.26 -5.04 118.70 119.91 1bn4 s GLU 239 Ca 0.60 -0.23 -0.29 0.00 0.36 0.00 0.00 54.97 55.41 1bn4 s GLU 239 Cb -0.37 -1.84 -0.11 0.00 0.26 0.00 0.00 34.13 32.07 1bn4 s GLU 239 CO 0.35 -0.60 1.48 -0.51 -0.54 0.00 0.00 175.26 175.44 1bn4 s LEU 240 N 1.97 4.36 -0.77 2.70 1.43 -1.26 -0.54 118.68 126.57 1bn4 s LEU 240 Ca 0.01 2.89 -0.23 0.00 -1.03 0.00 0.00 54.13 55.77 1bn4 s LEU 240 Cb -0.16 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.48 1bn4 s LEU 240 CO -0.08 -0.80 1.13 -0.32 0.23 0.00 0.00 176.35 176.51 1bn4 s MET 241 N -1.24 3.27 0.06 1.70 -2.45 0.64 -4.59 119.30 116.69 1bn4 s MET 241 Ca 0.57 -0.89 -0.06 0.00 -1.25 0.00 0.00 55.69 54.05 1bn4 s MET 241 Cb -0.45 -4.48 -0.01 0.00 1.25 0.00 0.00 34.83 31.14 1bn4 s MET 241 CO 0.53 -1.94 0.12 0.14 1.05 0.00 0.00 175.02 174.92 1bn4 s VAL 242 N 4.34 0.15 -1.43 10.11 -7.23 -1.26 -4.42 120.40 120.66 1bn4 s VAL 242 Ca 0.30 -1.23 -0.08 0.00 -1.81 0.00 0.00 61.98 59.16 1bn4 s VAL 242 Cb -0.11 -1.16 0.05 0.00 0.56 0.00 0.00 36.38 35.71 1bn4 s VAL 242 CO 0.05 -0.68 0.91 0.47 -0.31 0.00 0.00 175.10 175.54 1bn4 n ASP 243 N 0.35 -3.59 -2.49 4.85 8.00 -0.33 -4.87 116.55 118.47 1bn4 n ASP 243 Ca -0.17 -0.76 -0.27 0.00 0.71 0.00 0.00 54.79 54.30 1bn4 n ASP 243 Cb 0.60 -4.10 -0.06 0.00 -0.02 0.00 0.00 41.12 37.54 1bn4 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bn4 n ASN 244 N -2.94 6.47 -4.30 -2.24 6.94 -1.10 -4.90 115.26 113.19 1bn4 n ASN 244 Ca -0.09 -3.20 -0.24 0.00 -0.02 0.00 0.00 54.58 51.03 1bn4 n ASN 244 Cb 0.59 -1.23 -0.12 0.00 -2.36 0.00 0.00 39.78 36.65 1bn4 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1bn4 s TRP 245 N -1.70 1.83 -0.12 -2.53 1.48 -1.26 -4.64 118.94 112.00 1bn4 s TRP 245 Ca 0.59 -0.43 -0.06 0.00 -1.06 0.00 0.00 56.10 55.14 1bn4 s TRP 245 Cb 0.38 -0.98 -0.04 0.00 -1.16 0.00 0.00 33.47 31.67 1bn4 s TRP 245 CO -0.22 0.24 0.11 0.50 -4.06 0.00 0.00 176.95 173.52 1bn4 s ARG 246 N -2.11 3.43 0.79 3.25 3.52 -1.26 -4.97 118.95 121.60 1bn4 s ARG 246 Ca 0.09 -0.20 -0.13 0.00 -0.13 0.00 0.00 55.73 55.37 1bn4 s ARG 246 Cb -0.09 -3.14 0.07 0.00 -1.56 0.00 0.00 34.95 30.24 1bn4 s ARG 246 CO 0.05 0.71 1.16 -2.14 -0.81 0.00 0.00 175.30 174.27 1bn4 s PRO 247 N -0.84 1.86 0.38 5.12 0.02 -1.26 -4.68 135.00 135.60 1bn4 s PRO 247 Ca 0.14 1.56 -0.28 0.00 0.02 0.00 0.00 61.00 62.44 1bn4 s PRO 247 Cb -0.12 -1.82 -0.10 0.00 0.02 0.00 0.00 34.50 32.48 1bn4 s PRO 247 CO 0.03 -2.00 1.44 0.00 -0.33 0.00 0.00 177.00 176.14 1bn4 s ALA 248 N -2.38 3.51 0.19 -1.55 0.00 -1.26 -4.37 121.76 115.90 1bn4 s ALA 248 Ca 0.69 1.49 0.05 0.00 0.00 0.00 0.00 51.96 54.20 1bn4 s ALA 248 Cb -0.24 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 1bn4 s ALA 248 CO 0.51 -0.99 0.18 -0.65 0.00 0.00 0.00 175.76 174.80 1bn4 s GLN 249 N -2.09 2.97 0.29 0.00 -1.52 0.16 -4.95 119.66 114.52 1bn4 s GLN 249 Ca 0.53 -0.90 -0.30 0.00 -1.95 0.00 0.00 55.36 52.74 1bn4 s GLN 249 Cb -0.45 -2.65 -0.11 0.00 -0.22 0.00 0.00 33.01 29.58 1bn4 s GLN 249 CO 0.60 0.46 1.50 -1.25 -0.25 0.00 0.00 175.29 176.35 1bn4 s PRO 250 N -3.38 4.19 0.31 2.91 0.04 -1.26 -4.55 135.00 133.25 1bn4 s PRO 250 Ca 0.32 2.45 0.04 0.00 0.04 0.00 0.00 61.00 63.86 1bn4 s PRO 250 Cb -0.09 -3.05 0.50 0.00 0.04 0.00 0.00 34.50 31.90 1bn4 s PRO 250 CO 0.24 -0.51 1.77 1.25 0.04 0.00 0.00 177.00 179.80 1bn4 h LEU 251 N 4.55 0.41 0.00 -3.56 5.85 -1.94 -3.44 115.31 117.18 1bn4 h LEU 251 Ca -0.47 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.12 1bn4 h LEU 251 Cb 1.22 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1bn4 h LEU 251 CO 0.76 0.64 0.00 0.29 -0.34 0.00 0.00 178.44 179.78 1bn4 n LYS 252 N -4.16 0.00 -1.59 1.25 5.02 -1.26 -3.11 118.16 114.31 1bn4 n LYS 252 Ca -0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 1bn4 n LYS 252 Cb 0.37 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.33 1bn4 n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bn4 n ASN 253 N 2.96 7.35 -4.05 4.39 5.15 -1.26 -4.88 115.26 124.91 1bn4 n ASN 253 Ca 0.00 -2.96 -0.12 0.00 -0.60 0.00 0.00 54.58 50.90 1bn4 n ASN 253 Cb 0.00 -1.37 -0.11 0.00 -0.53 0.00 0.00 39.78 37.77 1bn4 n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1bn4 s ARG 254 N -0.41 0.51 0.03 1.20 0.52 -1.18 -5.11 118.95 114.51 1bn4 s ARG 254 Ca 0.60 -0.80 0.06 0.00 -0.52 0.00 0.00 55.73 55.07 1bn4 s ARG 254 Cb 0.26 -0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.54 1bn4 s ARG 254 CO -0.11 0.01 -0.18 -1.14 0.02 0.00 0.00 175.30 173.90 1bn4 s GLN 255 N -1.87 1.25 -0.22 3.54 0.74 -1.26 -5.00 119.66 116.83 1bn4 s GLN 255 Ca -0.09 -0.82 -0.13 0.00 0.05 0.00 0.00 55.36 54.37 1bn4 s GLN 255 Cb -0.08 -1.30 -0.04 0.00 1.10 0.00 0.00 33.01 32.69 1bn4 s GLN 255 CO -0.01 0.33 0.29 0.42 -0.55 0.00 0.00 175.29 175.78 1bn4 s ILE 256 N -0.74 5.27 0.02 -2.34 1.01 -1.26 -4.73 121.20 118.44 1bn4 s ILE 256 Ca 0.06 0.47 -0.03 0.00 0.00 0.00 0.00 60.65 61.14 1bn4 s ILE 256 Cb -0.08 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1bn4 s ILE 256 CO 0.01 0.29 0.23 -0.54 0.00 0.00 0.00 174.94 174.93 1bn4 s LYS 257 N 1.23 3.49 0.03 2.79 -0.14 -0.58 -0.67 119.74 125.88 1bn4 s LYS 257 Ca 0.14 -0.27 0.07 0.00 -1.36 0.00 0.00 55.97 54.54 1bn4 s LYS 257 Cb -0.14 -3.06 -0.03 0.00 -1.68 0.00 0.00 37.83 32.92 1bn4 s LYS 257 CO 0.06 0.64 -0.17 0.00 -0.76 0.00 0.00 175.35 175.12 1bn4 s ALA 258 N -1.39 2.61 -2.51 5.17 0.00 0.32 -0.83 121.76 125.14 1bn4 s ALA 258 Ca 0.30 -1.16 0.27 0.00 0.00 0.00 0.00 51.96 51.37 1bn4 s ALA 258 Cb -0.13 -0.77 0.88 0.00 0.00 0.00 0.00 23.12 23.10 1bn4 s ALA 258 CO 0.21 0.57 1.65 -1.13 0.00 0.00 0.00 175.76 177.06 1bn4 n SER 259 N 1.64 1.69 -4.21 0.00 3.41 -0.16 -1.15 113.62 114.84 1bn4 n SER 259 Ca -0.16 -1.53 -0.15 0.00 -0.26 0.00 0.00 58.87 56.78 1bn4 n SER 259 Cb 0.52 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 1bn4 n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1bn4 s PHE 260 N -2.05 1.17 -1.41 7.33 -0.71 -1.26 -4.89 117.98 116.17 1bn4 s PHE 260 Ca 0.35 -0.70 0.11 0.00 -1.04 0.00 0.00 56.93 55.66 1bn4 s PHE 260 Cb 0.21 -0.62 0.09 0.00 -1.21 0.00 0.00 43.02 41.49 1bn4 s PHE 260 CO 0.35 0.04 0.86 1.17 -1.34 0.00 0.00 175.22 176.30