#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bn3 s TRP 5 N 0.00 2.31 0.00 0.00 1.48 -1.26 -4.89 118.94 116.58 1bn3 s TRP 5 Ca 0.00 1.56 0.00 0.00 -1.06 0.00 0.00 56.10 56.60 1bn3 s TRP 5 Cb 0.00 -3.40 0.00 0.00 -1.16 0.00 0.00 33.47 28.91 1bn3 s TRP 5 CO 0.00 -2.23 0.00 0.41 -4.06 0.00 0.00 176.95 171.07 1bn3 n GLY 6 N 0.22 3.02 0.23 3.67 0.00 -0.10 -5.03 105.19 107.21 1bn3 n GLY 6 Ca 0.13 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.73 1bn3 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bn3 n TYR 7 N 0.00 0.00 -3.03 1.61 4.01 -1.26 -3.71 117.16 114.78 1bn3 n TYR 7 Ca 0.00 -0.75 -0.22 0.00 -0.16 0.00 0.00 57.90 56.78 1bn3 n TYR 7 Cb 0.00 -0.13 0.01 0.00 -0.31 0.00 0.00 39.34 38.91 1bn3 n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1bn3 s GLY 8 N -2.38 1.61 0.52 2.72 0.00 -1.26 -4.69 107.32 103.83 1bn3 s GLY 8 Ca 0.24 -1.17 0.22 0.00 0.00 0.00 0.00 44.72 44.01 1bn3 s GLY 8 CO 0.01 -1.00 2.02 1.70 0.00 0.00 0.00 173.10 175.83 1bn3 h LYS 9 N 0.45 0.05 0.00 2.90 1.63 -1.97 1.07 116.57 120.70 1bn3 h LYS 9 Ca -0.45 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1bn3 h LYS 9 Cb 1.26 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1bn3 h LYS 9 CO 0.56 0.03 -0.71 0.45 -3.45 0.00 0.00 179.45 176.33 1bn3 h HIS 10 N 0.05 0.00 0.00 1.91 3.86 -2.00 -3.39 115.15 115.59 1bn3 h HIS 10 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1bn3 h HIS 10 Cb 0.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 1bn3 h HIS 10 CO -0.00 0.00 -0.29 0.27 0.86 0.00 0.00 177.93 178.77 1bn3 n ASN 11 N -2.20 0.00 -2.39 2.45 6.94 -0.64 -4.96 115.26 114.47 1bn3 n ASN 11 Ca 0.03 -1.59 -0.02 0.00 -0.02 0.00 0.00 54.58 52.98 1bn3 n ASN 11 Cb 0.46 -0.12 0.02 0.00 -2.36 0.00 0.00 39.78 37.78 1bn3 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bn3 n GLY 12 N 0.00 -1.90 0.34 4.83 0.00 0.36 -0.92 105.19 107.90 1bn3 n GLY 12 Ca 0.00 -1.55 0.21 0.00 0.00 0.00 0.00 46.02 44.68 1bn3 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1bn3 h PRO 13 N 0.00 0.42 0.00 1.61 0.11 -1.85 0.13 132.00 132.42 1bn3 h PRO 13 Ca -0.03 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1bn3 h PRO 13 Cb 0.09 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1bn3 h PRO 13 CO 0.02 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 177.24 1bn3 n GLU 14 N -4.97 0.12 -0.00 1.05 0.00 -1.26 -2.20 120.64 113.38 1bn3 n GLU 14 Ca 0.30 0.48 0.07 0.00 0.00 0.00 0.00 57.16 58.01 1bn3 n GLU 14 Cb 0.88 -1.80 -0.09 0.00 0.00 0.00 0.00 31.44 30.43 1bn3 n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1bn3 n HIS 15 N -2.04 0.00 -0.33 -1.84 8.25 0.43 -4.69 115.22 115.00 1bn3 n HIS 15 Ca 0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.58 1bn3 n HIS 15 Cb 0.13 -0.08 0.32 0.00 1.12 0.00 0.00 29.99 31.47 1bn3 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1bn3 h TRP 16 N 0.00 1.01 -0.50 4.41 6.55 -1.37 -2.77 115.95 123.29 1bn3 h TRP 16 Ca 0.00 0.03 0.13 0.00 0.95 0.00 0.00 58.89 60.00 1bn3 h TRP 16 Cb 0.44 -0.31 -0.02 0.00 -0.86 0.00 0.00 29.16 28.40 1bn3 h TRP 16 CO 0.00 0.33 0.35 1.12 -1.05 0.00 0.00 178.44 179.19 1bn3 h HIS 17 N 0.81 0.08 -0.75 0.49 2.07 -1.79 0.10 115.15 116.17 1bn3 h HIS 17 Ca 0.51 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.03 1bn3 h HIS 17 Cb 0.73 -0.03 -0.04 0.00 2.57 0.00 0.00 27.41 30.64 1bn3 h HIS 17 CO -0.00 0.04 0.43 0.87 -3.07 0.00 0.00 177.93 176.20 1bn3 h LYS 18 N 0.07 1.02 0.00 5.12 1.57 -1.85 -2.65 116.57 119.85 1bn3 h LYS 18 Ca 0.24 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1bn3 h LYS 18 Cb 0.84 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1bn3 h LYS 18 CO -0.02 0.73 -1.80 -0.25 -0.57 0.00 0.00 179.45 177.54 1bn3 n ASP 19 N -4.37 0.81 -3.57 0.86 8.00 -0.73 -4.75 116.55 112.79 1bn3 n ASP 19 Ca 0.08 -0.03 -0.29 0.00 0.71 0.00 0.00 54.79 55.26 1bn3 n ASP 19 Cb 0.08 1.81 -0.12 0.00 -0.02 0.00 0.00 41.12 42.87 1bn3 n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1bn3 s PHE 20 N -3.25 1.54 0.57 1.24 0.08 0.28 -5.00 117.98 113.44 1bn3 s PHE 20 Ca -0.06 -2.26 0.28 0.00 0.12 0.00 0.00 56.93 55.01 1bn3 s PHE 20 Cb 0.12 -1.42 1.48 0.00 -0.57 0.00 0.00 43.02 42.63 1bn3 s PHE 20 CO 0.76 -0.78 1.95 -1.35 -0.10 0.00 0.00 175.22 175.69 1bn3 h PRO 21 N 6.38 0.00 0.00 0.24 0.11 -1.71 -1.41 132.00 135.60 1bn3 h PRO 21 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1bn3 h PRO 21 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1bn3 h PRO 21 CO 0.41 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.71 1bn3 n ILE 22 N -3.95 1.64 0.23 4.15 0.13 -1.26 -2.06 119.36 118.24 1bn3 n ILE 22 Ca 0.09 0.41 0.17 0.00 -1.10 0.00 0.00 62.75 62.32 1bn3 n ILE 22 Cb 0.64 -1.33 0.86 0.00 -0.84 0.00 0.00 39.64 38.97 1bn3 n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1bn3 h ALA 23 N 2.16 1.72 -0.41 1.51 0.00 -1.56 0.12 119.26 122.80 1bn3 h ALA 23 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1bn3 h ALA 23 Cb 0.08 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.78 1bn3 h ALA 23 CO 0.00 -0.22 0.03 1.63 0.00 0.00 0.00 179.25 180.69 1bn3 n LYS 24 N -3.78 2.25 -0.24 0.00 5.02 -0.87 -4.98 118.16 115.55 1bn3 n LYS 24 Ca 0.00 -3.07 -0.06 0.00 -2.02 0.00 0.00 58.31 53.17 1bn3 n LYS 24 Cb 0.27 -1.88 0.04 0.00 -0.02 0.00 0.00 35.03 33.44 1bn3 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bn3 n GLY 25 N -0.92 -2.16 0.13 0.72 0.00 0.42 -5.01 105.19 98.37 1bn3 n GLY 25 Ca 0.33 -1.51 0.04 0.00 0.00 0.00 0.00 46.02 44.88 1bn3 n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bn3 h GLU 26 N 0.00 0.00 -2.07 1.61 4.39 -1.96 -3.39 114.58 113.15 1bn3 h GLU 26 Ca -0.08 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.07 1bn3 h GLU 26 Cb 0.23 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.48 1bn3 h GLU 26 CO 0.05 0.31 -0.97 2.89 -1.16 0.00 0.00 179.01 180.13 1bn3 n ARG 27 N -3.03 1.43 -3.66 2.33 1.85 -1.26 -4.66 116.66 109.66 1bn3 n ARG 27 Ca -0.02 -3.74 -0.33 0.00 -1.00 0.00 0.00 57.85 52.76 1bn3 n ARG 27 Cb 0.72 -1.66 -0.05 0.00 -1.05 0.00 0.00 32.46 30.42 1bn3 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1bn3 s GLN 28 N -1.99 3.66 0.29 2.89 -1.52 -1.26 -2.33 119.66 119.40 1bn3 s GLN 28 Ca 0.39 0.00 0.11 0.00 -1.95 0.00 0.00 55.36 53.91 1bn3 s GLN 28 Cb 0.22 -2.95 -0.05 0.00 -0.22 0.00 0.00 33.01 30.01 1bn3 s GLN 28 CO -0.09 0.54 -0.10 -1.12 -0.25 0.00 0.00 175.29 174.27 1bn3 s SER 29 N -2.06 3.94 0.88 5.90 0.01 -1.26 -4.61 113.70 116.50 1bn3 s SER 29 Ca 0.36 -0.95 -0.12 0.00 1.31 0.00 0.00 55.95 56.54 1bn3 s SER 29 Cb -0.13 -0.48 0.16 0.00 0.21 0.00 0.00 66.02 65.79 1bn3 s SER 29 CO 0.21 -0.05 1.23 -2.16 0.41 0.00 0.00 173.24 172.88 1bn3 s PRO 30 N -3.60 1.09 0.20 12.44 0.04 -1.26 -4.58 135.00 139.32 1bn3 s PRO 30 Ca 0.31 -0.46 0.03 0.00 0.04 0.00 0.00 61.00 60.93 1bn3 s PRO 30 Cb -0.04 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1bn3 s PRO 30 CO 0.17 -2.07 -0.02 0.14 0.04 0.00 0.00 177.00 175.27 1bn3 s VAL 31 N -3.68 0.94 0.02 -0.36 -7.23 -1.26 0.71 120.40 109.54 1bn3 s VAL 31 Ca 0.70 -2.02 -0.23 0.00 -1.81 0.00 0.00 61.98 58.62 1bn3 s VAL 31 Cb -0.05 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 1bn3 s VAL 31 CO 0.50 -0.43 0.71 -0.62 -0.31 0.00 0.00 175.10 174.95 1bn3 s ASP 32 N -3.24 7.12 -0.52 4.85 2.15 -1.26 -3.34 116.67 122.43 1bn3 s ASP 32 Ca 0.25 1.34 -0.18 0.00 0.43 0.00 0.00 52.55 54.40 1bn3 s ASP 32 Cb 0.05 -2.43 0.08 0.00 -0.30 0.00 0.00 42.92 40.33 1bn3 s ASP 32 CO 0.06 0.04 0.56 -0.63 -0.17 0.00 0.00 175.17 175.03 1bn3 s ILE 33 N -0.07 5.02 -0.44 4.11 1.01 0.08 -4.94 121.20 125.97 1bn3 s ILE 33 Ca 0.36 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.82 1bn3 s ILE 33 Cb -0.20 -4.30 0.02 0.00 0.01 0.00 0.00 42.46 38.00 1bn3 s ILE 33 CO 0.21 -0.82 0.92 -0.62 0.00 0.00 0.00 174.94 174.63 1bn3 s ASP 34 N 3.02 6.53 0.47 3.58 -1.08 -1.26 -0.01 116.67 127.92 1bn3 s ASP 34 Ca 0.09 0.21 0.26 0.00 -0.52 0.00 0.00 52.55 52.59 1bn3 s ASP 34 Cb -0.23 -2.45 1.04 0.00 -1.46 0.00 0.00 42.92 39.81 1bn3 s ASP 34 CO 0.08 -1.01 1.87 0.71 0.52 0.00 0.00 175.17 177.33 1bn3 h THR 35 N 6.03 0.43 0.04 1.71 1.35 -1.95 -2.71 112.91 117.80 1bn3 h THR 35 Ca -0.24 -0.96 -0.22 0.00 -0.55 0.00 0.00 66.41 64.44 1bn3 h THR 35 Cb 1.08 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 69.18 1bn3 h THR 35 CO 1.02 0.16 -1.02 0.45 -0.25 0.00 0.00 175.52 175.88 1bn3 h HIS 36 N 0.00 0.23 -0.25 4.73 3.86 -2.03 -3.29 115.15 118.40 1bn3 h HIS 36 Ca -0.00 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1bn3 h HIS 36 Cb 0.68 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1bn3 h HIS 36 CO 0.00 1.06 0.00 0.25 0.86 0.00 0.00 177.93 180.10 1bn3 n THR 37 N -3.51 0.31 -2.52 2.45 -2.24 -1.20 -4.92 114.28 102.65 1bn3 n THR 37 Ca -0.04 -0.66 -0.38 0.00 -2.27 0.00 0.00 64.05 60.71 1bn3 n THR 37 Cb 0.91 1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 70.28 1bn3 n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bn3 s ALA 38 N -1.66 3.22 -0.25 6.98 0.00 -1.03 -4.85 121.76 124.17 1bn3 s ALA 38 Ca 0.34 0.78 -0.09 0.00 0.00 0.00 0.00 51.96 52.99 1bn3 s ALA 38 Cb 0.22 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1bn3 s ALA 38 CO 0.31 -0.19 0.14 0.21 0.00 0.00 0.00 175.76 176.22 1bn3 s LYS 39 N -2.05 3.92 0.19 0.00 2.20 -0.07 -4.84 119.74 119.09 1bn3 s LYS 39 Ca 0.52 -0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 55.48 1bn3 s LYS 39 Cb -0.26 -3.48 -0.10 0.00 -1.51 0.00 0.00 37.83 32.48 1bn3 s LYS 39 CO 0.33 -0.05 1.48 -0.47 -0.36 0.00 0.00 175.35 176.28 1bn3 s TYR 40 N 1.33 3.08 -0.28 4.03 5.04 -1.26 -0.44 117.35 128.84 1bn3 s TYR 40 Ca 0.06 0.86 0.01 0.00 -2.44 0.00 0.00 57.07 55.56 1bn3 s TYR 40 Cb -0.15 -3.84 0.08 0.00 0.35 0.00 0.00 41.96 38.41 1bn3 s TYR 40 CO 0.06 -2.92 0.01 0.34 -1.34 0.00 0.00 175.55 171.70 1bn3 s ASP 41 N 0.79 4.16 0.19 4.32 -1.08 -0.41 -4.85 116.67 119.80 1bn3 s ASP 41 Ca 0.64 -1.57 0.20 0.00 -0.52 0.00 0.00 52.55 51.30 1bn3 s ASP 41 Cb -0.42 -1.23 0.86 0.00 -1.46 0.00 0.00 42.92 40.67 1bn3 s ASP 41 CO 0.36 -0.32 1.60 -0.81 0.52 0.00 0.00 175.17 176.53 1bn3 n PRO 42 N 4.59 0.13 -0.02 4.34 -0.04 -1.26 -1.92 135.00 140.82 1bn3 n PRO 42 Ca -0.05 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 1bn3 n PRO 42 Cb 0.43 -1.77 0.55 0.00 -0.04 0.00 0.00 33.50 32.67 1bn3 n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1bn3 n SER 43 N -2.02 1.26 -4.69 3.54 3.41 -1.26 -4.85 113.62 109.01 1bn3 n SER 43 Ca 0.02 -1.47 -0.42 0.00 -0.26 0.00 0.00 58.87 56.73 1bn3 n SER 43 Cb 0.18 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1bn3 n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bn3 s LEU 44 N -1.88 4.28 0.64 1.04 1.02 -0.81 -5.04 118.68 117.93 1bn3 s LEU 44 Ca 0.38 1.69 -0.11 0.00 0.02 0.00 0.00 54.13 56.11 1bn3 s LEU 44 Cb 0.20 -3.56 -0.02 0.00 0.02 0.00 0.00 46.19 42.83 1bn3 s LEU 44 CO 0.32 -0.49 1.04 -0.54 0.02 0.00 0.00 176.35 176.70 1bn3 s LYS 45 N 1.94 3.36 0.61 1.70 3.01 -1.24 -4.97 119.74 124.15 1bn3 s LYS 45 Ca 0.52 0.63 -0.15 0.00 -1.01 0.00 0.00 55.97 55.97 1bn3 s LYS 45 Cb -0.22 -2.08 -0.03 0.00 -1.01 0.00 0.00 37.83 34.50 1bn3 s LYS 45 CO 0.21 -0.70 1.06 -2.14 0.51 0.00 0.00 175.35 174.29 1bn3 s PRO 46 N -5.22 3.24 0.48 -1.68 0.02 -1.26 -2.71 135.00 127.87 1bn3 s PRO 46 Ca 0.56 1.15 -0.21 0.00 0.02 0.00 0.00 61.00 62.52 1bn3 s PRO 46 Cb -0.11 -2.02 -0.08 0.00 0.02 0.00 0.00 34.50 32.31 1bn3 s PRO 46 CO 0.53 -0.87 1.07 -0.51 -0.33 0.00 0.00 177.00 176.89 1bn3 s LEU 47 N -4.71 3.88 -0.30 -5.54 1.43 -1.26 -1.00 118.68 111.17 1bn3 s LEU 47 Ca 0.62 2.02 0.02 0.00 -1.03 0.00 0.00 54.13 55.76 1bn3 s LEU 47 Cb -0.15 -4.49 0.09 0.00 0.03 0.00 0.00 46.19 41.67 1bn3 s LEU 47 CO 0.41 -0.84 0.04 -0.55 0.23 0.00 0.00 176.35 175.63 1bn3 s SER 48 N -1.83 4.33 -0.41 2.29 0.15 0.89 -4.86 113.70 114.25 1bn3 s SER 48 Ca 0.67 -1.76 -0.08 0.00 0.70 0.00 0.00 55.95 55.48 1bn3 s SER 48 Cb -0.20 -1.29 0.08 0.00 -1.71 0.00 0.00 66.02 62.90 1bn3 s SER 48 CO 0.23 -0.35 0.24 -0.69 1.20 0.00 0.00 173.24 173.87 1bn3 s VAL 49 N 1.24 4.06 -0.82 4.45 1.01 -1.26 -0.61 120.40 128.47 1bn3 s VAL 49 Ca 0.06 -1.49 -0.07 0.00 0.00 0.00 0.00 61.98 60.48 1bn3 s VAL 49 Cb -0.18 -3.52 0.21 0.00 0.00 0.00 0.00 36.38 32.89 1bn3 s VAL 49 CO -0.13 -0.52 0.71 -0.44 0.00 0.00 0.00 175.10 174.73 1bn3 s SER 50 N 2.07 6.19 -0.24 3.32 0.01 -0.03 -4.88 113.70 120.14 1bn3 s SER 50 Ca 0.03 -3.09 0.14 0.00 1.31 0.00 0.00 55.95 54.34 1bn3 s SER 50 Cb -0.23 -2.03 0.64 0.00 0.21 0.00 0.00 66.02 64.60 1bn3 s SER 50 CO 0.01 -0.39 1.59 -1.22 0.41 0.00 0.00 173.24 173.64 1bn3 n TYR 51 N 3.29 1.56 0.21 2.43 4.01 -1.26 -1.37 117.16 126.03 1bn3 n TYR 51 Ca 0.15 -1.02 0.10 0.00 -0.16 0.00 0.00 57.90 56.97 1bn3 n TYR 51 Cb 0.41 -0.47 0.27 0.00 -0.31 0.00 0.00 39.34 39.25 1bn3 n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1bn3 h ASP 52 N 2.33 0.00 -0.39 7.72 2.03 -1.90 -3.19 116.42 123.03 1bn3 h ASP 52 Ca 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 1bn3 h ASP 52 Cb 1.80 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.30 1bn3 h ASP 52 CO 0.42 0.19 0.00 0.00 -1.03 0.00 0.00 179.24 178.82 1bn3 n GLN 53 N -3.20 3.65 -1.99 4.15 1.13 -1.22 -5.03 117.38 114.88 1bn3 n GLN 53 Ca 0.02 -2.94 -0.39 0.00 -1.94 0.00 0.00 57.00 51.75 1bn3 n GLN 53 Cb 0.53 -1.98 0.01 0.00 0.11 0.00 0.00 30.24 28.91 1bn3 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bn3 s ALA 54 N -2.70 3.15 -0.33 -1.58 0.00 -1.21 -4.53 121.76 114.56 1bn3 s ALA 54 Ca 0.46 1.26 -0.00 0.00 0.00 0.00 0.00 51.96 53.68 1bn3 s ALA 54 Cb 0.36 -3.51 0.11 0.00 0.00 0.00 0.00 23.12 20.08 1bn3 s ALA 54 CO 0.12 -0.96 0.11 0.99 0.00 0.00 0.00 175.76 176.03 1bn3 s THR 55 N -1.29 1.01 0.51 0.00 2.01 -1.26 -4.89 115.64 111.74 1bn3 s THR 55 Ca 0.61 -1.61 -0.19 0.00 0.31 0.00 0.00 61.69 60.81 1bn3 s THR 55 Cb -0.38 -1.76 -0.07 0.00 0.01 0.00 0.00 72.50 70.30 1bn3 s THR 55 CO 0.48 -0.71 1.05 -0.94 -0.69 0.00 0.00 174.62 173.82 1bn3 s SER 56 N 1.41 6.18 0.04 3.53 1.04 -1.26 -0.41 113.70 124.22 1bn3 s SER 56 Ca 0.11 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.46 1bn3 s SER 56 Cb -0.18 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1bn3 s SER 56 CO -0.20 -0.89 0.00 0.18 0.98 0.00 0.00 173.24 173.30 1bn3 n LEU 57 N -1.22 0.27 -4.21 2.42 4.77 0.45 -4.00 117.00 115.48 1bn3 n LEU 57 Ca 0.09 0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 1bn3 n LEU 57 Cb 0.52 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1bn3 n LEU 57 CO 0.41 -0.28 -0.28 -0.13 -1.33 0.00 0.00 177.39 175.78 1bn3 s ARG 58 N -2.00 1.12 -0.03 3.23 0.52 -1.21 -1.41 118.95 119.18 1bn3 s ARG 58 Ca 0.00 -1.57 0.01 0.00 -0.52 0.00 0.00 55.73 53.65 1bn3 s ARG 58 Cb 0.00 0.07 0.01 0.00 0.52 0.00 0.00 34.95 35.55 1bn3 s ARG 58 CO 0.00 -0.28 -0.04 -1.50 0.02 0.00 0.00 175.30 173.50 1bn3 s ILE 59 N -3.96 0.43 -0.03 1.52 2.07 -0.77 -0.34 121.20 120.12 1bn3 s ILE 59 Ca 0.31 -0.13 -0.18 0.00 -1.41 0.00 0.00 60.65 59.24 1bn3 s ILE 59 Cb 0.07 -0.43 0.03 0.00 0.13 0.00 0.00 42.46 42.26 1bn3 s ILE 59 CO 0.07 0.17 0.38 -1.48 -1.91 0.00 0.00 174.94 172.17 1bn3 s LEU 60 N 0.52 0.55 -0.24 8.50 2.34 -0.54 -1.12 118.68 128.69 1bn3 s LEU 60 Ca -0.06 0.27 -0.16 0.00 0.06 0.00 0.00 54.13 54.23 1bn3 s LEU 60 Cb -0.10 1.50 -0.04 0.00 -0.56 0.00 0.00 46.19 47.00 1bn3 s LEU 60 CO -0.00 -0.45 0.42 0.21 -1.06 0.00 0.00 176.35 175.47 1bn3 s ASN 61 N -1.15 6.37 -0.07 1.48 3.84 -0.58 -0.73 114.94 124.10 1bn3 s ASN 61 Ca -0.12 0.44 0.15 0.00 0.21 0.00 0.00 52.86 53.54 1bn3 s ASN 61 Cb -0.04 -2.24 0.51 0.00 -0.55 0.00 0.00 41.25 38.93 1bn3 s ASN 61 CO 0.05 -0.16 1.43 -0.46 -2.79 0.00 0.00 177.10 175.16 1bn3 n ASN 62 N 5.02 3.76 0.00 -4.21 0.23 -0.70 -1.30 115.26 118.06 1bn3 n ASN 62 Ca -0.07 -2.35 0.00 0.00 -0.53 0.00 0.00 54.58 51.62 1bn3 n ASN 62 Cb 0.51 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 1bn3 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bn3 n GLY 63 N 0.57 1.73 0.00 4.83 0.00 -1.26 -4.71 105.19 106.36 1bn3 n GLY 63 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1bn3 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bn3 n HIS 64 N -2.00 0.00 -3.86 1.61 8.25 -1.26 -4.73 115.22 113.23 1bn3 n HIS 64 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1bn3 n HIS 64 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1bn3 n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bn3 s ALA 65 N -1.95 -1.91 -0.14 -1.41 0.00 -1.26 -4.87 121.76 110.22 1bn3 s ALA 65 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 1bn3 s ALA 65 Cb 0.00 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 1bn3 s ALA 65 CO 0.00 -1.08 0.03 -0.59 0.00 0.00 0.00 175.76 174.12 1bn3 s PHE 66 N -2.30 3.21 -0.07 0.00 -0.12 -1.26 -1.72 117.98 115.72 1bn3 s PHE 66 Ca 0.22 0.10 0.05 0.00 -0.05 0.00 0.00 56.93 57.25 1bn3 s PHE 66 Cb -0.01 -1.94 -0.01 0.00 -0.63 0.00 0.00 43.02 40.44 1bn3 s PHE 66 CO 0.02 0.30 -0.24 -0.80 -0.05 0.00 0.00 175.22 174.45 1bn3 s ASN 67 N -0.23 2.99 -0.26 1.98 0.02 0.09 -4.14 114.94 115.40 1bn3 s ASN 67 Ca 0.07 -0.52 -0.13 0.00 -1.02 0.00 0.00 52.86 51.26 1bn3 s ASN 67 Cb -0.12 -1.05 -0.04 0.00 0.02 0.00 0.00 41.25 40.05 1bn3 s ASN 67 CO 0.02 0.20 0.28 -0.69 0.02 0.00 0.00 177.10 176.93 1bn3 s VAL 68 N 0.07 5.26 0.06 1.60 1.01 -0.66 -1.47 120.40 126.27 1bn3 s VAL 68 Ca -0.10 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1bn3 s VAL 68 Cb -0.15 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1bn3 s VAL 68 CO 0.06 0.23 0.20 -1.61 0.00 0.00 0.00 175.10 173.98 1bn3 s GLU 69 N 1.68 3.40 0.22 2.72 2.02 0.53 -1.96 118.70 127.32 1bn3 s GLU 69 Ca 0.12 -0.46 0.09 0.00 0.02 0.00 0.00 54.97 54.74 1bn3 s GLU 69 Cb -0.15 -3.02 -0.05 0.00 0.10 0.00 0.00 34.13 31.01 1bn3 s GLU 69 CO 0.09 0.61 -0.17 -0.06 0.02 0.00 0.00 175.26 175.75 1bn3 s PHE 70 N -1.51 1.90 -0.35 1.61 0.40 -0.30 -0.42 117.98 119.32 1bn3 s PHE 70 Ca 0.35 -0.49 -0.29 0.00 -0.60 0.00 0.00 56.93 55.90 1bn3 s PHE 70 Cb -0.13 -0.87 0.01 0.00 0.51 0.00 0.00 43.02 42.55 1bn3 s PHE 70 CO 0.28 0.46 1.18 0.34 0.70 0.00 0.00 175.22 178.18 1bn3 s ASP 71 N -3.30 6.77 -0.33 1.36 2.15 0.45 -4.81 116.67 118.95 1bn3 s ASP 71 Ca 0.24 0.99 0.06 0.00 0.43 0.00 0.00 52.55 54.27 1bn3 s ASP 71 Cb -0.03 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.51 1bn3 s ASP 71 CO 0.09 -1.04 1.25 -0.90 -0.17 0.00 0.00 175.17 174.40 1bn3 n ASP 72 N 7.38 5.13 0.11 -0.34 5.75 -1.26 -4.65 116.55 128.67 1bn3 n ASP 72 Ca 0.13 -3.75 0.12 0.00 -0.01 0.00 0.00 54.79 51.28 1bn3 n ASP 72 Cb 0.47 -0.40 0.15 0.00 -1.03 0.00 0.00 41.12 40.31 1bn3 n ASP 72 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1bn3 h SER 73 N 2.20 0.00 -5.27 -1.12 4.64 -1.95 -3.47 113.55 108.58 1bn3 h SER 73 Ca 0.38 -0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 61.51 1bn3 h SER 73 Cb 1.44 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.39 1bn3 h SER 73 CO 0.83 0.04 -0.46 -1.10 -0.87 0.00 0.00 176.83 175.27 1bn3 s GLN 74 N -3.23 0.94 -0.90 4.77 -0.21 -1.26 -5.05 119.66 114.72 1bn3 s GLN 74 Ca 0.05 -1.18 -0.24 0.00 0.02 0.00 0.00 55.36 54.01 1bn3 s GLN 74 Cb 0.10 0.31 -0.16 0.00 1.00 0.00 0.00 33.01 34.27 1bn3 s GLN 74 CO 0.72 -0.30 1.91 -0.25 -2.12 0.00 0.00 175.29 175.25 1bn3 n ASP 75 N -0.10 2.51 -0.10 5.90 9.92 -1.26 -4.57 116.55 128.85 1bn3 n ASP 75 Ca -0.10 -2.65 -0.20 0.00 -0.53 0.00 0.00 54.79 51.30 1bn3 n ASP 75 Cb 0.63 -1.37 -0.12 0.00 -0.64 0.00 0.00 41.12 39.62 1bn3 n ASP 75 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1bn3 h LYS 76 N 9.18 0.00 -4.15 -1.24 1.57 -1.85 -3.45 116.57 116.64 1bn3 h LYS 76 Ca 0.29 -0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.48 1bn3 h LYS 76 Cb 0.81 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.74 1bn3 h LYS 76 CO 1.58 1.00 -0.78 0.00 -0.57 0.00 0.00 179.45 180.68 1bn3 s ALA 77 N -2.33 1.69 0.25 3.86 0.00 -1.26 -3.41 121.76 120.56 1bn3 s ALA 77 Ca -0.27 -1.15 0.10 0.00 0.00 0.00 0.00 51.96 50.65 1bn3 s ALA 77 Cb 0.04 -1.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 1bn3 s ALA 77 CO 0.62 -1.14 -0.17 0.14 0.00 0.00 0.00 175.76 175.21 1bn3 s VAL 78 N 1.53 2.16 -0.09 0.00 -7.23 -0.47 -1.30 120.40 114.99 1bn3 s VAL 78 Ca -0.04 -2.32 0.03 0.00 -1.81 0.00 0.00 61.98 57.85 1bn3 s VAL 78 Cb -0.18 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1bn3 s VAL 78 CO -0.07 -0.46 -0.20 -0.22 -0.31 0.00 0.00 175.10 173.84 1bn3 s LEU 79 N -3.44 1.95 0.31 1.32 0.20 0.93 -0.85 118.68 119.10 1bn3 s LEU 79 Ca 0.27 -0.48 -0.01 0.00 0.69 0.00 0.00 54.13 54.60 1bn3 s LEU 79 Cb -0.03 -1.23 -0.01 0.00 -0.43 0.00 0.00 46.19 44.49 1bn3 s LEU 79 CO 0.12 0.11 0.37 -0.54 -0.29 0.00 0.00 176.35 176.12 1bn3 s LYS 80 N 0.49 1.73 2.71 1.98 1.02 0.22 -1.74 119.74 126.16 1bn3 s LYS 80 Ca -0.16 -1.76 0.00 0.00 0.02 0.00 0.00 55.97 54.06 1bn3 s LYS 80 Cb -0.17 0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.53 1bn3 s LYS 80 CO 0.06 -0.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.22 1bn3 n GLY 81 N -0.52 -0.49 7.00 -3.33 0.00 -1.26 -0.08 105.19 106.51 1bn3 n GLY 81 Ca 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1bn3 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bn3 n GLY 82 N 0.00 2.88 0.56 -0.02 0.00 -0.17 -1.12 105.19 107.31 1bn3 n GLY 82 Ca 0.00 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.83 1bn3 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bn3 n PRO 83 N 14.00 1.70 -3.66 1.61 -0.04 -1.26 -3.61 135.00 143.75 1bn3 n PRO 83 Ca 0.00 -1.09 -0.29 0.00 -0.04 0.00 0.00 63.50 62.08 1bn3 n PRO 83 Cb 0.00 -1.27 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 1bn3 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bn3 s LEU 84 N -1.10 4.23 -0.15 1.53 1.43 -0.28 -5.08 118.68 119.27 1bn3 s LEU 84 Ca 0.23 0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.83 1bn3 s LEU 84 Cb 0.12 -3.26 0.04 0.00 0.03 0.00 0.00 46.19 43.11 1bn3 s LEU 84 CO 0.16 -0.01 -0.04 -0.62 0.23 0.00 0.00 176.35 176.07 1bn3 s ASP 85 N -2.81 2.55 0.00 2.29 -1.08 -1.26 -4.35 116.67 112.02 1bn3 s ASP 85 Ca 0.40 -0.53 0.00 0.00 -0.52 0.00 0.00 52.55 51.90 1bn3 s ASP 85 Cb -0.12 -0.81 0.00 0.00 -1.46 0.00 0.00 42.92 40.54 1bn3 s ASP 85 CO 0.27 -0.18 0.00 0.61 0.52 0.00 0.00 175.17 176.39 1bn3 n GLY 86 N 4.94 1.51 3.83 2.66 0.00 -1.26 -5.02 105.19 111.84 1bn3 n GLY 86 Ca -0.11 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.40 1bn3 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bn3 s THR 87 N -1.60 5.46 -0.14 2.61 2.01 -1.26 -4.68 115.64 118.03 1bn3 s THR 87 Ca 0.00 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.24 1bn3 s THR 87 Cb 0.00 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 69.07 1bn3 s THR 87 CO 0.00 0.55 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.99 1bn3 s TYR 88 N -0.55 2.72 0.07 4.92 1.51 -0.71 -1.16 117.35 124.17 1bn3 s TYR 88 Ca 0.13 -1.11 -0.17 0.00 -1.01 0.00 0.00 57.07 54.92 1bn3 s TYR 88 Cb -0.12 -1.84 -0.06 0.00 -0.11 0.00 0.00 41.96 39.82 1bn3 s TYR 88 CO 0.02 -0.49 0.52 1.03 -1.11 0.00 0.00 175.55 175.52 1bn3 s ARG 89 N 0.73 4.06 -0.08 -0.62 0.52 -0.58 -0.05 118.95 122.94 1bn3 s ARG 89 Ca -0.08 0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 55.42 1bn3 s ARG 89 Cb -0.16 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.14 1bn3 s ARG 89 CO 0.01 0.61 1.08 -1.17 0.02 0.00 0.00 175.30 175.85 1bn3 s LEU 90 N -1.33 4.27 -0.07 2.53 2.96 -0.42 -1.62 118.68 124.99 1bn3 s LEU 90 Ca 0.30 1.65 0.05 0.00 -0.22 0.00 0.00 54.13 55.91 1bn3 s LEU 90 Cb -0.18 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.87 1bn3 s LEU 90 CO 0.18 -0.48 0.01 0.00 -1.32 0.00 0.00 176.35 174.73 1bn3 n ILE 91 N 4.51 0.49 -3.61 6.68 3.06 -0.37 -4.55 119.36 125.58 1bn3 n ILE 91 Ca 0.09 -0.28 -0.04 0.00 -2.50 0.00 0.00 62.75 60.03 1bn3 n ILE 91 Cb 0.48 -0.81 -0.01 0.00 0.54 0.00 0.00 39.64 39.83 1bn3 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1bn3 s GLN 92 N -2.17 0.67 0.04 9.51 1.03 -1.22 -1.15 119.66 126.36 1bn3 s GLN 92 Ca -0.05 -0.31 0.00 0.00 0.04 0.00 0.00 55.36 55.04 1bn3 s GLN 92 Cb 0.02 0.26 -0.03 0.00 0.03 0.00 0.00 33.01 33.30 1bn3 s GLN 92 CO 0.27 -0.30 -0.04 -0.59 -2.54 0.00 0.00 175.29 172.09 1bn3 s PHE 93 N -2.81 0.46 0.28 9.60 -0.12 -0.83 -0.45 117.98 124.11 1bn3 s PHE 93 Ca 0.10 -0.66 -0.12 0.00 -0.05 0.00 0.00 56.93 56.20 1bn3 s PHE 93 Cb 0.00 -0.31 0.00 0.00 -0.63 0.00 0.00 43.02 42.09 1bn3 s PHE 93 CO -0.04 -0.20 0.53 -3.38 -0.05 0.00 0.00 175.22 172.08 1bn3 s HIS 94 N -2.09 0.42 0.25 3.49 -3.43 -0.80 -1.65 115.29 111.49 1bn3 s HIS 94 Ca -0.08 -0.80 0.08 0.00 -0.80 0.00 0.00 55.06 53.46 1bn3 s HIS 94 Cb -0.05 0.24 -0.05 0.00 -1.43 0.00 0.00 32.58 31.29 1bn3 s HIS 94 CO -0.03 -1.09 -0.12 -0.06 -2.00 0.00 0.00 174.74 171.44 1bn3 s PHE 95 N -3.67 1.93 -0.03 0.38 0.40 -1.26 -1.01 117.98 114.72 1bn3 s PHE 95 Ca 0.22 -0.57 0.02 0.00 -0.60 0.00 0.00 56.93 56.00 1bn3 s PHE 95 Cb -0.01 -0.98 0.01 0.00 0.51 0.00 0.00 43.02 42.54 1bn3 s PHE 95 CO 0.11 0.40 -0.08 -1.01 0.70 0.00 0.00 175.22 175.34 1bn3 s HIS 96 N -2.89 0.92 0.19 0.36 3.76 -0.49 -4.77 115.29 112.37 1bn3 s HIS 96 Ca 0.27 -0.24 -0.09 0.00 -0.15 0.00 0.00 55.06 54.85 1bn3 s HIS 96 Cb 0.00 -0.68 -0.01 0.00 1.11 0.00 0.00 32.58 33.01 1bn3 s HIS 96 CO 0.11 -0.12 0.32 1.67 -0.85 0.00 0.00 174.74 175.87 1bn3 s TRP 97 N 0.31 0.45 0.54 1.40 -2.14 -1.22 -0.58 118.94 117.70 1bn3 s TRP 97 Ca -0.05 -0.80 0.06 0.00 2.66 0.00 0.00 56.10 57.97 1bn3 s TRP 97 Cb -0.10 -0.03 0.04 0.00 -3.10 0.00 0.00 33.47 30.28 1bn3 s TRP 97 CO 0.01 -0.79 0.41 0.20 -2.66 0.00 0.00 176.95 174.12 1bn3 s GLY 98 N -3.00 2.35 0.00 3.67 0.00 -1.16 -1.03 107.32 108.15 1bn3 s GLY 98 Ca 0.21 -1.32 0.26 0.00 0.00 0.00 0.00 44.72 43.87 1bn3 s GLY 98 CO 0.03 -1.93 1.59 -1.14 0.00 0.00 0.00 173.10 171.66 1bn3 n SER 99 N -1.76 0.60 -4.03 1.64 3.41 -1.26 -4.38 113.62 107.84 1bn3 n SER 99 Ca -0.01 -0.42 -0.08 0.00 -0.26 0.00 0.00 58.87 58.10 1bn3 n SER 99 Cb 0.64 0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.57 1bn3 n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bn3 s LEU 100 N -2.76 2.33 0.56 1.04 1.43 -1.26 -5.06 118.68 114.96 1bn3 s LEU 100 Ca 0.18 -0.79 0.31 0.00 -1.03 0.00 0.00 54.13 52.81 1bn3 s LEU 100 Cb 0.19 0.22 1.65 0.00 0.03 0.00 0.00 46.19 48.27 1bn3 s LEU 100 CO 0.59 -0.49 2.14 0.44 0.23 0.00 0.00 176.35 179.26 1bn3 h ASP 101 N 3.69 0.00 -0.14 2.29 3.32 -1.91 -2.90 116.42 120.77 1bn3 h ASP 101 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1bn3 h ASP 101 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1bn3 h ASP 101 CO 0.56 0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.76 1bn3 n GLY 102 N -0.79 0.33 3.52 2.75 0.00 -1.26 -3.09 105.19 106.64 1bn3 n GLY 102 Ca -0.02 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1bn3 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bn3 s GLN 103 N -1.67 1.39 0.00 1.61 -2.07 -1.10 -4.69 119.66 113.14 1bn3 s GLN 103 Ca 0.10 -0.99 0.00 0.00 -1.82 0.00 0.00 55.36 52.65 1bn3 s GLN 103 Cb 0.06 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.47 1bn3 s GLN 103 CO 0.06 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 173.86 1bn3 n GLY 104 N -0.33 4.31 3.81 2.60 0.00 -1.08 -3.28 105.19 111.23 1bn3 n GLY 104 Ca -0.08 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 1bn3 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bn3 s SER 105 N -0.01 6.20 -0.17 1.61 1.04 -0.66 -3.46 113.70 118.26 1bn3 s SER 105 Ca 0.00 1.81 -0.21 0.00 0.48 0.00 0.00 55.95 58.03 1bn3 s SER 105 Cb 0.00 -2.54 -0.23 0.00 0.10 0.00 0.00 66.02 63.36 1bn3 s SER 105 CO 0.00 -0.88 0.40 -0.33 0.98 0.00 0.00 173.24 173.41 1bn3 h GLU 106 N 1.02 0.07 -6.86 4.02 5.08 -1.91 -3.45 114.58 112.55 1bn3 h GLU 106 Ca -0.48 -0.11 -0.47 0.00 -1.00 0.00 0.00 59.36 57.29 1bn3 h GLU 106 Cb 1.21 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1bn3 h GLU 106 CO 0.59 1.05 0.21 -1.01 -1.00 0.00 0.00 179.01 178.85 1bn3 s HIS 107 N -2.37 3.38 0.24 4.33 3.76 -1.26 -4.38 115.29 119.00 1bn3 s HIS 107 Ca -0.25 1.42 0.07 0.00 -0.15 0.00 0.00 55.06 56.15 1bn3 s HIS 107 Cb 0.04 -2.69 -0.05 0.00 1.11 0.00 0.00 32.58 30.99 1bn3 s HIS 107 CO 0.66 0.03 -0.09 0.95 -0.85 0.00 0.00 174.74 175.44 1bn3 s THR 108 N -2.02 1.61 -0.21 1.30 -4.23 -1.21 -4.70 115.64 106.18 1bn3 s THR 108 Ca 0.56 -2.15 0.01 0.00 -1.18 0.00 0.00 61.69 58.94 1bn3 s THR 108 Cb -0.11 -2.28 0.05 0.00 1.34 0.00 0.00 72.50 71.50 1bn3 s THR 108 CO 0.16 -0.42 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.04 1bn3 s VAL 109 N -3.04 1.66 -1.45 2.29 1.01 -0.70 -0.74 120.40 119.42 1bn3 s VAL 109 Ca 0.27 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 1bn3 s VAL 109 Cb 0.02 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.69 1bn3 s VAL 109 CO 0.09 0.12 1.07 0.47 0.00 0.00 0.00 175.10 176.85 1bn3 n ASP 110 N 4.67 -5.38 0.00 3.32 8.00 0.99 0.05 116.55 128.20 1bn3 n ASP 110 Ca -0.14 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1bn3 n ASP 110 Cb 0.46 -4.38 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 1bn3 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bn3 n LYS 111 N -4.81 0.00 -2.57 -1.24 4.76 -1.26 -4.99 118.16 108.04 1bn3 n LYS 111 Ca 0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 1bn3 n LYS 111 Cb 0.54 -2.75 -0.03 0.00 -1.84 0.00 0.00 35.03 30.95 1bn3 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1bn3 s LYS 112 N -0.18 4.51 -0.12 1.97 2.20 0.11 -4.97 119.74 123.26 1bn3 s LYS 112 Ca 0.00 1.59 -0.06 0.00 -0.36 0.00 0.00 55.97 57.14 1bn3 s LYS 112 Cb 0.00 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1bn3 s LYS 112 CO 0.00 -0.12 0.12 0.15 -0.36 0.00 0.00 175.35 175.14 1bn3 s LYS 113 N 0.88 3.38 0.43 4.03 1.02 -1.26 -1.72 119.74 126.50 1bn3 s LYS 113 Ca 0.54 -0.18 0.08 0.00 0.02 0.00 0.00 55.97 56.44 1bn3 s LYS 113 Cb -0.25 -3.13 0.01 0.00 -0.52 0.00 0.00 37.83 33.94 1bn3 s LYS 113 CO 0.29 0.76 0.55 0.71 -0.92 0.00 0.00 175.35 176.74 1bn3 s TYR 114 N -0.99 2.69 0.38 3.18 1.51 -1.26 -4.65 117.35 118.20 1bn3 s TYR 114 Ca 0.15 -0.44 0.11 0.00 -1.01 0.00 0.00 57.07 55.88 1bn3 s TYR 114 Cb -0.12 -2.33 0.74 0.00 -0.11 0.00 0.00 41.96 40.14 1bn3 s TYR 114 CO 0.04 -0.42 1.85 0.00 -1.11 0.00 0.00 175.55 175.91 1bn3 h ALA 115 N 0.67 1.42 -2.71 3.71 0.00 -1.40 -1.69 119.26 119.26 1bn3 h ALA 115 Ca -0.40 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.32 1bn3 h ALA 115 Cb 1.28 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1bn3 h ALA 115 CO 0.47 0.42 0.39 0.00 0.00 0.00 0.00 179.25 180.53 1bn3 s ALA 116 N -4.36 -1.30 -0.12 0.00 0.00 -1.18 -2.97 121.76 111.82 1bn3 s ALA 116 Ca -0.04 -0.30 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 1bn3 s ALA 116 Cb 0.15 0.73 0.05 0.00 0.00 0.00 0.00 23.12 24.04 1bn3 s ALA 116 CO 0.73 -1.03 0.30 -2.00 0.00 0.00 0.00 175.76 173.75 1bn3 s GLU 117 N -2.99 0.27 -0.16 0.00 2.12 0.26 -1.68 118.70 116.52 1bn3 s GLU 117 Ca 0.15 0.59 -0.08 0.00 0.36 0.00 0.00 54.97 55.98 1bn3 s GLU 117 Cb -0.04 -0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.25 1bn3 s GLU 117 CO 0.06 -0.15 0.13 -1.17 -0.54 0.00 0.00 175.26 173.59 1bn3 s LEU 118 N 1.17 4.25 -0.22 2.70 2.96 0.72 -1.40 118.68 128.87 1bn3 s LEU 118 Ca -0.08 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 1bn3 s LEU 118 Cb -0.09 -2.06 0.05 0.00 0.50 0.00 0.00 46.19 44.59 1bn3 s LEU 118 CO -0.09 0.30 -0.09 -1.00 -1.32 0.00 0.00 176.35 174.14 1bn3 s HIS 119 N -0.34 2.58 -0.42 5.38 3.76 -0.18 -0.74 115.29 125.33 1bn3 s HIS 119 Ca 0.11 -1.78 -0.18 0.00 -0.15 0.00 0.00 55.06 53.07 1bn3 s HIS 119 Cb -0.12 -1.69 0.02 0.00 1.11 0.00 0.00 32.58 31.91 1bn3 s HIS 119 CO 0.01 -0.78 0.46 -0.51 -0.85 0.00 0.00 174.74 173.07 1bn3 s LEU 120 N 1.34 4.80 -0.15 0.89 1.02 -0.22 -1.91 118.68 124.46 1bn3 s LEU 120 Ca -0.04 -0.62 -0.22 0.00 0.02 0.00 0.00 54.13 53.27 1bn3 s LEU 120 Cb -0.18 -2.43 -0.03 0.00 0.02 0.00 0.00 46.19 43.58 1bn3 s LEU 120 CO -0.07 -0.60 0.69 -0.69 0.02 0.00 0.00 176.35 175.69 1bn3 s VAL 121 N 2.23 5.01 0.09 -1.59 1.01 0.40 -1.37 120.40 126.17 1bn3 s VAL 121 Ca 0.13 1.35 0.07 0.00 0.00 0.00 0.00 61.98 63.53 1bn3 s VAL 121 Cb -0.17 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1bn3 s VAL 121 CO 0.14 0.14 -0.18 -1.00 0.00 0.00 0.00 175.10 174.20 1bn3 s HIS 122 N 1.58 1.59 0.03 5.22 3.76 -0.46 -1.23 115.29 125.78 1bn3 s HIS 122 Ca 0.33 -0.44 0.07 0.00 -0.15 0.00 0.00 55.06 54.88 1bn3 s HIS 122 Cb -0.16 -0.87 -0.02 0.00 1.11 0.00 0.00 32.58 32.63 1bn3 s HIS 122 CO 0.13 0.16 -0.22 1.67 -0.85 0.00 0.00 174.74 175.63 1bn3 s TRP 123 N -1.23 1.91 -0.30 1.40 1.48 -0.64 -1.33 118.94 120.23 1bn3 s TRP 123 Ca 0.04 -0.38 -0.29 0.00 -1.06 0.00 0.00 56.10 54.41 1bn3 s TRP 123 Cb -0.10 -1.15 -0.02 0.00 -1.16 0.00 0.00 33.47 31.04 1bn3 s TRP 123 CO 0.04 0.08 1.78 1.21 -4.06 0.00 0.00 176.95 175.99 1bn3 s ASN 124 N -1.08 5.99 0.65 -2.66 3.84 0.20 -1.52 114.94 120.35 1bn3 s ASN 124 Ca 0.08 1.40 0.39 0.00 0.21 0.00 0.00 52.86 54.94 1bn3 s ASN 124 Cb -0.09 -2.53 2.18 0.00 -0.55 0.00 0.00 41.25 40.26 1bn3 s ASN 124 CO 0.01 -1.62 2.28 0.71 -2.79 0.00 0.00 177.10 175.70 1bn3 h THR 125 N 6.68 0.13 0.00 -5.21 1.35 -1.47 -1.43 112.91 112.96 1bn3 h THR 125 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1bn3 h THR 125 Cb 1.17 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1bn3 h THR 125 CO 1.02 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.36 1bn3 h LYS 127 N 0.00 0.00 -0.11 4.72 2.10 -1.90 -2.15 116.57 119.23 1bn3 h LYS 127 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1bn3 h LYS 127 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1bn3 h LYS 127 CO -0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1bn3 n TYR 128 N -2.97 0.13 0.00 0.07 4.01 -0.54 -4.99 117.16 112.88 1bn3 n TYR 128 Ca -0.03 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1bn3 n TYR 128 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1bn3 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bn3 n GLY 129 N 1.16 1.91 3.22 2.72 0.00 -0.81 -4.54 105.19 108.84 1bn3 n GLY 129 Ca 0.17 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1bn3 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1bn3 s ASP 130 N 0.00 0.47 0.24 1.61 1.47 -1.26 -5.04 116.67 114.17 1bn3 s ASP 130 Ca 0.00 -1.33 -0.06 0.00 1.18 0.00 0.00 52.55 52.34 1bn3 s ASP 130 Cb 0.00 0.30 0.29 0.00 -0.34 0.00 0.00 42.92 43.17 1bn3 s ASP 130 CO 0.00 -0.77 1.90 0.15 0.68 0.00 0.00 175.17 177.12 1bn3 h PHE 131 N 2.63 1.14 -0.27 2.11 3.57 -1.95 -2.37 116.94 121.81 1bn3 h PHE 131 Ca -0.36 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.16 1bn3 h PHE 131 Cb 1.24 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1bn3 h PHE 131 CO 0.40 0.67 0.15 0.78 -2.23 0.00 0.00 178.31 178.08 1bn3 h GLY 132 N 1.19 0.39 1.04 2.40 0.00 -1.96 -2.00 103.07 104.12 1bn3 h GLY 132 Ca 0.37 -0.15 -0.23 0.00 0.00 0.00 0.00 47.33 47.32 1bn3 h GLY 132 CO -0.11 0.15 -0.88 0.50 0.00 0.00 0.00 176.54 176.19 1bn3 h LYS 133 N 0.37 0.59 -0.94 4.80 1.79 -1.74 -3.30 116.57 118.13 1bn3 h LYS 133 Ca 0.10 -0.64 0.13 0.00 -2.18 0.00 0.00 60.65 58.05 1bn3 h LYS 133 Cb 0.00 0.18 -0.08 0.00 -1.58 0.00 0.00 32.23 30.76 1bn3 h LYS 133 CO -0.02 1.25 0.60 0.00 -1.08 0.00 0.00 179.45 180.20 1bn3 h ALA 134 N 0.36 1.67 0.00 3.86 0.00 -0.87 -0.52 119.26 123.75 1bn3 h ALA 134 Ca -0.11 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bn3 h ALA 134 Cb 1.56 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1bn3 h ALA 134 CO 0.17 0.10 0.00 1.33 0.00 0.00 0.00 179.25 180.85 1bn3 n VAL 135 N -4.58 0.00 -0.06 0.00 0.24 -0.84 -1.78 118.33 111.31 1bn3 n VAL 135 Ca 0.18 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.50 1bn3 n VAL 135 Cb 0.39 -0.19 0.06 0.00 -1.47 0.00 0.00 33.84 32.63 1bn3 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bn3 n GLN 136 N -0.33 2.91 -4.80 7.34 6.02 -0.20 -4.93 117.38 123.38 1bn3 n GLN 136 Ca 0.00 -1.70 -0.27 0.00 -0.01 0.00 0.00 57.00 55.03 1bn3 n GLN 136 Cb 0.05 -1.10 -0.15 0.00 1.02 0.00 0.00 30.24 30.07 1bn3 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1bn3 s GLN 137 N -0.99 1.55 0.62 -1.09 -1.52 -0.73 -5.02 119.66 112.48 1bn3 s GLN 137 Ca 0.09 -0.91 0.40 0.00 -1.95 0.00 0.00 55.36 52.99 1bn3 s GLN 137 Cb 0.05 -1.62 2.02 0.00 -0.22 0.00 0.00 33.01 33.24 1bn3 s GLN 137 CO 0.06 0.42 2.23 -1.00 -0.25 0.00 0.00 175.29 176.75 1bn3 h PRO 138 N 5.09 0.00 -0.19 2.91 0.13 -1.86 -1.46 132.00 136.62 1bn3 h PRO 138 Ca -0.42 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.55 1bn3 h PRO 138 Cb 1.15 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.12 1bn3 h PRO 138 CO 0.45 0.01 -0.67 -0.40 -0.23 0.00 0.00 178.00 177.16 1bn3 n ASP 139 N -3.14 2.33 0.11 1.44 5.75 -1.26 -4.27 116.55 117.50 1bn3 n ASP 139 Ca -0.02 -3.54 -0.04 0.00 -0.01 0.00 0.00 54.79 51.18 1bn3 n ASP 139 Cb 0.16 -0.46 0.09 0.00 -1.03 0.00 0.00 41.12 39.88 1bn3 n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1bn3 h GLY 140 N 1.34 0.08 -3.54 6.12 0.00 -1.04 -3.42 103.07 102.60 1bn3 h GLY 140 Ca 0.05 -0.12 -0.43 0.00 0.00 0.00 0.00 47.33 46.83 1bn3 h GLY 140 CO 0.19 0.10 -0.76 1.08 0.00 0.00 0.00 176.54 177.15 1bn3 s LEU 141 N -7.50 2.41 -0.11 3.11 1.43 0.00 0.58 118.68 118.60 1bn3 s LEU 141 Ca -0.02 -0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 52.24 1bn3 s LEU 141 Cb 0.12 -0.58 0.03 0.00 0.03 0.00 0.00 46.19 45.79 1bn3 s LEU 141 CO 0.79 -0.14 -0.01 0.00 0.23 0.00 0.00 176.35 177.22 1bn3 s ALA 142 N -2.17 0.90 -0.17 4.21 0.00 -0.44 -1.15 121.76 122.94 1bn3 s ALA 142 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 1bn3 s ALA 142 Cb -0.05 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.19 1bn3 s ALA 142 CO 0.03 -0.60 -0.09 0.08 0.00 0.00 0.00 175.76 175.18 1bn3 s VAL 143 N 1.89 3.23 -0.31 0.00 1.01 -1.02 -1.36 120.40 123.83 1bn3 s VAL 143 Ca 0.04 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 1bn3 s VAL 143 Cb -0.13 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1bn3 s VAL 143 CO -0.06 0.48 0.62 -0.22 0.00 0.00 0.00 175.10 175.92 1bn3 s LEU 144 N 0.85 4.17 -0.15 3.92 0.20 -0.47 -2.00 118.68 125.19 1bn3 s LEU 144 Ca -0.03 0.37 -0.06 0.00 0.69 0.00 0.00 54.13 55.11 1bn3 s LEU 144 Cb -0.15 -2.80 -0.04 0.00 -0.43 0.00 0.00 46.19 42.78 1bn3 s LEU 144 CO 0.01 -0.49 0.04 -0.83 -0.29 0.00 0.00 176.35 174.79 1bn3 s GLY 145 N 1.67 1.90 -0.04 7.98 0.00 0.31 -1.05 107.32 118.09 1bn3 s GLY 145 Ca 0.25 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 44.23 1bn3 s GLY 145 CO 0.12 -0.13 -0.09 -0.42 0.00 0.00 0.00 173.10 172.58 1bn3 s ILE 146 N -0.03 0.80 0.21 0.90 1.01 0.08 -1.78 121.20 122.38 1bn3 s ILE 146 Ca 0.05 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 1bn3 s ILE 146 Cb -0.12 -0.73 -0.08 0.00 0.01 0.00 0.00 42.46 41.54 1bn3 s ILE 146 CO 0.01 0.26 0.67 -0.36 0.00 0.00 0.00 174.94 175.52 1bn3 s PHE 147 N 0.44 3.60 -0.12 3.97 0.08 -1.26 -0.20 117.98 124.48 1bn3 s PHE 147 Ca -0.07 1.25 0.02 0.00 0.12 0.00 0.00 56.93 58.25 1bn3 s PHE 147 Cb -0.11 -2.52 -0.00 0.00 -0.57 0.00 0.00 43.02 39.82 1bn3 s PHE 147 CO 0.01 0.33 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.75 1bn3 s LEU 148 N -2.12 2.26 0.16 -0.37 1.02 -0.68 -0.86 118.68 118.10 1bn3 s LEU 148 Ca 0.43 -0.52 0.09 0.00 0.02 0.00 0.00 54.13 54.15 1bn3 s LEU 148 Cb -0.15 -1.47 -0.04 0.00 0.02 0.00 0.00 46.19 44.54 1bn3 s LEU 148 CO 0.20 0.13 -0.11 -1.59 0.02 0.00 0.00 176.35 175.00 1bn3 s LYS 149 N 0.51 2.02 -0.13 1.70 -2.85 0.18 -2.37 119.74 118.80 1bn3 s LYS 149 Ca -0.13 -1.22 -0.28 0.00 -1.00 0.00 0.00 55.97 53.34 1bn3 s LYS 149 Cb -0.17 -2.17 -0.01 0.00 -2.06 0.00 0.00 37.83 33.42 1bn3 s LYS 149 CO 0.05 0.45 0.95 0.08 0.10 0.00 0.00 175.35 176.99 1bn3 s VAL 150 N -1.53 4.81 0.00 1.79 1.01 -1.26 -0.84 120.40 124.38 1bn3 s VAL 150 Ca 0.23 1.92 0.00 0.00 0.00 0.00 0.00 61.98 64.13 1bn3 s VAL 150 Cb -0.09 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1bn3 s VAL 150 CO 0.14 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1bn3 n GLY 151 N 3.21 1.48 3.85 4.51 0.00 0.38 -4.85 105.19 113.76 1bn3 n GLY 151 Ca 0.08 0.31 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 1bn3 n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bn3 s SER 152 N 2.00 6.12 0.48 1.61 1.04 -1.26 -3.74 113.70 119.95 1bn3 s SER 152 Ca 0.00 1.50 -0.22 0.00 0.48 0.00 0.00 55.95 57.71 1bn3 s SER 152 Cb 0.00 -2.48 -0.07 0.00 0.10 0.00 0.00 66.02 63.56 1bn3 s SER 152 CO 0.00 -0.94 1.13 0.00 0.98 0.00 0.00 173.24 174.41 1bn3 s ALA 153 N -3.02 2.89 -0.45 5.32 0.00 -1.26 -2.39 121.76 122.84 1bn3 s ALA 153 Ca 0.57 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 53.24 1bn3 s ALA 153 Cb -0.12 -3.35 0.07 0.00 0.00 0.00 0.00 23.12 19.72 1bn3 s ALA 153 CO 0.49 -0.62 0.36 0.21 0.00 0.00 0.00 175.76 176.21 1bn3 s LYS 154 N -2.90 2.90 0.21 0.00 2.47 -1.24 -4.82 119.74 116.37 1bn3 s LYS 154 Ca 0.66 -1.34 -0.13 0.00 -1.56 0.00 0.00 55.97 53.60 1bn3 s LYS 154 Cb -0.25 -4.04 0.25 0.00 -1.46 0.00 0.00 37.83 32.33 1bn3 s LYS 154 CO 0.30 -0.99 1.63 -1.35 0.16 0.00 0.00 175.35 175.11 1bn3 h PRO 155 N 8.67 0.01 0.00 4.03 0.11 -1.92 -0.63 132.00 142.27 1bn3 h PRO 155 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1bn3 h PRO 155 Cb 1.11 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1bn3 h PRO 155 CO 0.84 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 179.05 1bn3 n GLY 156 N -1.43 -0.71 0.07 -0.55 0.00 -1.26 -1.99 105.19 99.32 1bn3 n GLY 156 Ca 0.08 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1bn3 n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bn3 n LEU 157 N -1.41 0.49 -0.35 0.99 7.94 -0.25 -4.43 117.00 119.98 1bn3 n LEU 157 Ca 0.03 0.17 -0.00 0.00 -1.11 0.00 0.00 56.01 55.10 1bn3 n LEU 157 Cb 0.09 -0.04 0.15 0.00 0.53 0.00 0.00 43.42 44.15 1bn3 n LEU 157 CO 0.08 -0.10 1.28 -0.61 -1.11 0.00 0.00 177.39 176.93 1bn3 h GLN 158 N 0.00 1.22 -0.73 1.96 5.75 -1.36 -1.69 115.11 120.25 1bn3 h GLN 158 Ca 0.00 -0.07 0.09 0.00 -0.15 0.00 0.00 58.65 58.51 1bn3 h GLN 158 Cb 0.98 -0.28 -0.05 0.00 1.07 0.00 0.00 27.48 29.21 1bn3 h GLN 158 CO 0.00 0.81 0.48 -0.22 -2.65 0.00 0.00 178.83 177.25 1bn3 h LYS 159 N 1.26 0.66 -0.06 1.69 3.64 -1.77 0.17 116.57 122.15 1bn3 h LYS 159 Ca 0.37 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.64 1bn3 h LYS 159 Cb -0.06 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1bn3 h LYS 159 CO -0.10 0.43 -0.25 0.28 -2.27 0.00 0.00 179.45 177.54 1bn3 h VAL 160 N 0.68 1.44 -0.71 2.00 2.07 -1.67 -3.17 116.25 116.89 1bn3 h VAL 160 Ca 0.33 -1.68 0.06 0.00 0.82 0.00 0.00 66.70 66.23 1bn3 h VAL 160 Cb 0.40 2.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 1bn3 h VAL 160 CO -0.12 0.48 0.47 0.58 0.02 0.00 0.00 177.57 179.00 1bn3 h VAL 161 N -0.25 1.04 -0.47 2.57 2.07 -0.28 -2.79 116.25 118.13 1bn3 h VAL 161 Ca -0.02 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 1bn3 h VAL 161 Cb 0.90 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1bn3 h VAL 161 CO 0.05 0.14 -0.14 0.44 0.02 0.00 0.00 177.57 178.08 1bn3 h ASP 162 N 0.76 0.94 0.73 0.57 3.32 -0.75 -3.13 116.42 118.86 1bn3 h ASP 162 Ca 0.30 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1bn3 h ASP 162 Cb 0.22 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1bn3 h ASP 162 CO -0.10 1.10 0.00 0.55 -1.72 0.00 0.00 179.24 179.07 1bn3 n VAL 163 N -4.21 0.34 0.24 -1.35 3.14 -1.06 -3.84 118.33 111.59 1bn3 n VAL 163 Ca -0.00 0.09 0.14 0.00 -2.96 0.00 0.00 64.34 61.61 1bn3 n VAL 163 Cb 0.41 -0.68 0.80 0.00 -1.06 0.00 0.00 33.84 33.30 1bn3 n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1bn3 h LEU 164 N 0.00 0.00 -1.70 6.55 3.38 -1.48 -1.76 115.31 120.30 1bn3 h LEU 164 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1bn3 h LEU 164 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1bn3 h LEU 164 CO 0.00 0.00 0.12 0.44 0.09 0.00 0.00 178.44 179.09 1bn3 h ASP 165 N 0.00 0.28 0.32 -0.43 3.32 -1.81 -2.34 116.42 115.75 1bn3 h ASP 165 Ca 0.04 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1bn3 h ASP 165 Cb 0.22 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1bn3 h ASP 165 CO -0.00 0.23 -0.14 -1.54 -1.72 0.00 0.00 179.24 176.07 1bn3 n SER 166 N -4.47 0.63 -2.17 6.45 3.41 -0.66 -3.86 113.62 112.96 1bn3 n SER 166 Ca 0.00 -0.68 -0.07 0.00 -0.26 0.00 0.00 58.87 57.86 1bn3 n SER 166 Cb 0.10 -0.02 0.05 0.00 -0.26 0.00 0.00 64.21 64.08 1bn3 n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1bn3 n ILE 167 N -0.84 1.64 -0.25 -1.33 -5.35 -0.89 -4.63 119.36 107.69 1bn3 n ILE 167 Ca 0.14 -3.16 0.03 0.00 -0.27 0.00 0.00 62.75 59.49 1bn3 n ILE 167 Cb 0.29 0.28 0.25 0.00 -1.74 0.00 0.00 39.64 38.72 1bn3 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1bn3 h LYS 168 N 2.10 0.97 -6.17 6.28 3.64 -1.63 -3.40 116.57 118.35 1bn3 h LYS 168 Ca 0.04 -0.06 -0.54 0.00 -1.27 0.00 0.00 60.65 58.82 1bn3 h LYS 168 Cb 1.41 -0.22 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 1bn3 h LYS 168 CO 0.35 0.64 -0.58 0.95 -2.27 0.00 0.00 179.45 178.55 1bn3 s THR 169 N -5.86 3.58 0.13 1.00 -4.23 -1.26 -0.25 115.64 108.75 1bn3 s THR 169 Ca -0.11 -1.71 -0.33 0.00 -1.18 0.00 0.00 61.69 58.36 1bn3 s THR 169 Cb 0.19 -3.03 -0.13 0.00 1.34 0.00 0.00 72.50 70.87 1bn3 s THR 169 CO 0.79 -0.31 1.69 1.17 -0.54 0.00 0.00 174.62 177.42 1bn3 n LYS 170 N -1.05 2.36 0.00 3.99 4.81 0.68 -1.76 118.16 127.18 1bn3 n LYS 170 Ca -0.06 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 1bn3 n LYS 170 Cb 0.59 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.98 1bn3 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bn3 n GLY 171 N 3.77 3.34 3.79 3.14 0.00 9.07 -4.46 105.19 123.85 1bn3 n GLY 171 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1bn3 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bn3 s LYS 172 N -0.80 3.81 0.11 1.61 1.02 -0.72 -4.88 119.74 119.89 1bn3 s LYS 172 Ca 0.00 1.43 -0.08 0.00 0.02 0.00 0.00 55.97 57.34 1bn3 s LYS 172 Cb 0.00 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 35.13 1bn3 s LYS 172 CO 0.00 -0.43 0.19 -1.54 -0.92 0.00 0.00 175.35 172.65 1bn3 s SER 173 N -1.87 0.13 0.03 2.83 1.04 -1.26 -1.53 113.70 113.07 1bn3 s SER 173 Ca 0.66 -0.75 -0.14 0.00 0.48 0.00 0.00 55.95 56.20 1bn3 s SER 173 Cb -0.18 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.31 1bn3 s SER 173 CO 0.22 -0.76 0.31 0.00 0.98 0.00 0.00 173.24 173.99 1bn3 s ALA 174 N -3.90 -0.73 0.26 5.32 0.00 -0.27 -4.90 121.76 117.54 1bn3 s ALA 174 Ca 0.09 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.87 1bn3 s ALA 174 Cb 0.05 0.25 -0.09 0.00 0.00 0.00 0.00 23.12 23.32 1bn3 s ALA 174 CO -0.08 -0.37 1.19 -0.51 0.00 0.00 0.00 175.76 176.00 1bn3 s ASP 175 N -1.84 7.07 -0.43 0.00 1.01 -1.26 -1.84 116.67 119.38 1bn3 s ASP 175 Ca -0.08 2.38 0.07 0.00 0.71 0.00 0.00 52.55 55.63 1bn3 s ASP 175 Cb -0.02 -2.63 0.23 0.00 1.01 0.00 0.00 42.92 41.51 1bn3 s ASP 175 CO -0.01 -0.33 0.60 0.33 0.21 0.00 0.00 175.17 175.97 1bn3 n PHE 176 N 1.52 -1.53 -2.98 4.23 7.35 -0.50 -4.80 117.46 120.75 1bn3 n PHE 176 Ca 0.01 -2.86 -0.22 0.00 -0.76 0.00 0.00 57.45 53.62 1bn3 n PHE 176 Cb 0.44 0.40 0.01 0.00 0.35 0.00 0.00 39.48 40.69 1bn3 n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bn3 s THR 177 N -0.31 3.67 -1.46 -2.13 -4.23 -1.26 -3.18 115.64 106.74 1bn3 s THR 177 Ca 0.33 -0.63 -0.08 0.00 -1.18 0.00 0.00 61.69 60.14 1bn3 s THR 177 Cb 0.15 -3.34 0.03 0.00 1.34 0.00 0.00 72.50 70.68 1bn3 s THR 177 CO -0.16 -0.22 0.69 0.59 -0.54 0.00 0.00 174.62 174.99 1bn3 n ASN 178 N -2.06 -5.38 -4.77 3.99 3.02 -1.26 -4.94 115.26 103.86 1bn3 n ASN 178 Ca 0.03 -0.40 -0.37 0.00 -0.03 0.00 0.00 54.58 53.80 1bn3 n ASN 178 Cb 0.58 -4.35 -0.06 0.00 -0.61 0.00 0.00 39.78 35.34 1bn3 n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1bn3 s PHE 179 N -3.15 3.57 -0.44 3.10 5.36 -1.26 -5.00 117.98 120.16 1bn3 s PHE 179 Ca 0.41 0.79 -0.15 0.00 -0.96 0.00 0.00 56.93 57.01 1bn3 s PHE 179 Cb -0.19 -2.35 0.05 0.00 -0.34 0.00 0.00 43.02 40.19 1bn3 s PHE 179 CO 0.50 0.39 0.34 0.34 -1.46 0.00 0.00 175.22 175.33 1bn3 s ASP 180 N -0.09 6.10 0.35 6.13 -1.08 -1.26 -4.39 116.67 122.43 1bn3 s ASP 180 Ca 0.21 -1.14 0.26 0.00 -0.52 0.00 0.00 52.55 51.36 1bn3 s ASP 180 Cb -0.15 -2.16 1.24 0.00 -1.46 0.00 0.00 42.92 40.39 1bn3 s ASP 180 CO 0.08 -0.55 1.79 1.55 0.52 0.00 0.00 175.17 178.56 1bn3 h PRO 181 N 8.68 0.00 0.00 4.34 0.13 -1.96 -2.59 132.00 140.60 1bn3 h PRO 181 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1bn3 h PRO 181 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1bn3 h PRO 181 CO 0.81 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.58 1bn3 h ARG 182 N 0.00 0.00 0.00 0.86 3.08 -1.92 -0.77 114.38 115.63 1bn3 h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bn3 h ARG 182 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1bn3 h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1bn3 n GLY 183 N -0.63 -1.32 0.84 0.04 0.00 -0.98 -3.01 105.19 100.15 1bn3 n GLY 183 Ca 0.00 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1bn3 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bn3 n LEU 184 N -1.37 2.76 -4.82 0.99 4.77 -0.29 -4.28 117.00 114.76 1bn3 n LEU 184 Ca 0.11 -0.94 -0.37 0.00 -0.03 0.00 0.00 56.01 54.78 1bn3 n LEU 184 Cb 0.26 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1bn3 n LEU 184 CO 0.23 0.47 0.32 -0.76 -1.33 0.00 0.00 177.39 176.32 1bn3 s LEU 185 N -2.09 4.42 1.08 2.23 1.43 -1.16 -4.93 118.68 119.64 1bn3 s LEU 185 Ca 0.26 1.28 -0.18 0.00 -1.03 0.00 0.00 54.13 54.46 1bn3 s LEU 185 Cb 0.19 -3.25 0.24 0.00 0.03 0.00 0.00 46.19 43.41 1bn3 s LEU 185 CO 0.36 0.14 1.24 -2.16 0.23 0.00 0.00 176.35 176.16 1bn3 s PRO 186 N -1.64 -0.25 0.16 1.29 0.04 -1.26 -4.98 135.00 128.35 1bn3 s PRO 186 Ca 0.36 -0.30 -0.04 0.00 0.04 0.00 0.00 61.00 61.07 1bn3 s PRO 186 Cb -0.17 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1bn3 s PRO 186 CO 0.20 -3.03 1.40 0.93 0.04 0.00 0.00 177.00 176.54 1bn3 h GLU 187 N -2.09 0.47 -5.89 4.56 5.08 -1.92 -3.44 114.58 111.35 1bn3 h GLU 187 Ca -0.44 -0.40 -0.67 0.00 -1.00 0.00 0.00 59.36 56.85 1bn3 h GLU 187 Cb 1.26 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 30.49 1bn3 h GLU 187 CO 0.35 1.03 -0.56 0.45 -1.00 0.00 0.00 179.01 179.28 1bn3 s SER 188 N -7.01 5.74 -0.15 1.42 0.15 -1.26 -5.02 113.70 107.57 1bn3 s SER 188 Ca -0.06 0.24 0.17 0.00 0.70 0.00 0.00 55.95 57.00 1bn3 s SER 188 Cb 0.10 -1.71 0.75 0.00 -1.71 0.00 0.00 66.02 63.45 1bn3 s SER 188 CO 0.85 0.35 1.67 0.18 1.20 0.00 0.00 173.24 177.49 1bn3 n LEU 189 N 1.73 5.06 -4.75 3.45 4.77 -1.26 -4.70 117.00 121.30 1bn3 n LEU 189 Ca -0.17 -2.60 -0.38 0.00 -0.03 0.00 0.00 56.01 52.84 1bn3 n LEU 189 Cb 0.54 -0.61 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1bn3 n LEU 189 CO 0.33 0.76 0.93 -1.81 -1.33 0.00 0.00 177.39 176.28 1bn3 s ASP 190 N -0.90 5.16 0.24 -1.43 1.01 -1.26 -4.70 116.67 114.79 1bn3 s ASP 190 Ca 0.52 2.65 -0.16 0.00 0.71 0.00 0.00 52.55 56.27 1bn3 s ASP 190 Cb 0.36 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.67 1bn3 s ASP 190 CO 0.22 -1.63 0.53 -0.72 0.21 0.00 0.00 175.17 173.78 1bn3 s TYR 191 N -1.38 0.12 0.15 4.23 1.13 -1.26 -1.65 117.35 118.69 1bn3 s TYR 191 Ca 0.74 -0.50 0.08 0.00 -1.41 0.00 0.00 57.07 55.98 1bn3 s TYR 191 Cb -0.37 0.34 -0.04 0.00 -1.10 0.00 0.00 41.96 40.78 1bn3 s TYR 191 CO 0.43 -1.01 -0.07 -1.58 -2.51 0.00 0.00 175.55 170.81 1bn3 s TRP 192 N -3.96 2.74 -0.10 -3.49 0.51 0.11 -0.97 118.94 113.78 1bn3 s TRP 192 Ca 0.16 -0.17 -0.13 0.00 -2.12 0.00 0.00 56.10 53.84 1bn3 s TRP 192 Cb -0.02 -1.37 0.03 0.00 -0.81 0.00 0.00 33.47 31.30 1bn3 s TRP 192 CO 0.05 0.48 0.35 -0.08 -0.51 0.00 0.00 176.95 177.24 1bn3 s THR 193 N -1.51 0.01 0.19 2.01 -1.32 0.09 -1.56 115.64 113.56 1bn3 s THR 193 Ca 0.24 -0.12 -0.23 0.00 -1.21 0.00 0.00 61.69 60.37 1bn3 s THR 193 Cb -0.10 -0.54 0.05 0.00 -1.51 0.00 0.00 72.50 70.41 1bn3 s THR 193 CO 0.16 -0.07 0.67 -0.72 -2.21 0.00 0.00 174.62 172.45 1bn3 s TYR 194 N -0.21 -0.40 -0.03 9.09 1.13 -1.07 -1.18 117.35 124.68 1bn3 s TYR 194 Ca -0.04 0.10 -0.22 0.00 -1.41 0.00 0.00 57.07 55.51 1bn3 s TYR 194 Cb -0.03 0.61 -0.05 0.00 -1.10 0.00 0.00 41.96 41.39 1bn3 s TYR 194 CO 0.02 -0.96 0.63 -2.14 -2.51 0.00 0.00 175.55 170.58 1bn3 s PRO 195 N -3.75 4.38 0.00 -3.49 0.02 -1.26 -1.46 135.00 129.43 1bn3 s PRO 195 Ca 0.05 0.78 0.00 0.00 0.02 0.00 0.00 61.00 61.85 1bn3 s PRO 195 Cb -0.03 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 31.10 1bn3 s PRO 195 CO -0.05 0.24 0.00 0.41 -0.33 0.00 0.00 177.00 177.26 1bn3 n GLY 196 N 2.75 4.39 1.77 0.52 0.00 0.96 -4.81 105.19 110.77 1bn3 n GLY 196 Ca -0.05 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1bn3 n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bn3 n SER 197 N 0.00 0.29 -4.80 1.61 3.41 -0.99 -2.46 113.62 110.68 1bn3 n SER 197 Ca 0.00 -2.18 -0.34 0.00 -0.26 0.00 0.00 58.87 56.10 1bn3 n SER 197 Cb 0.00 0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 1bn3 n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bn3 s LEU 198 N 0.00 3.77 0.00 1.04 1.43 -0.30 -4.48 118.68 120.14 1bn3 s LEU 198 Ca 0.17 1.87 0.21 0.00 -1.03 0.00 0.00 54.13 55.35 1bn3 s LEU 198 Cb 0.01 -4.55 0.57 0.00 0.03 0.00 0.00 46.19 42.25 1bn3 s LEU 198 CO 0.12 -0.82 1.46 0.35 0.23 0.00 0.00 176.35 177.69 1bn3 n THR 199 N -1.19 0.37 -4.14 5.49 -2.24 -1.26 -4.54 114.28 106.78 1bn3 n THR 199 Ca 0.09 -0.55 -0.10 0.00 -2.27 0.00 0.00 64.05 61.22 1bn3 n THR 199 Cb 0.53 0.64 -0.10 0.00 -2.10 0.00 0.00 70.33 69.30 1bn3 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1bn3 s THR 200 N -1.63 0.55 0.64 4.28 -4.23 -1.26 -4.63 115.64 109.36 1bn3 s THR 200 Ca 0.35 -1.82 -0.17 0.00 -1.18 0.00 0.00 61.69 58.86 1bn3 s THR 200 Cb 0.20 -1.53 -0.03 0.00 1.34 0.00 0.00 72.50 72.47 1bn3 s THR 200 CO 0.28 -0.86 0.96 -2.65 -0.54 0.00 0.00 174.62 171.81 1bn3 n PRO 201 N 0.14 0.77 0.00 3.99 -0.02 -1.26 -0.47 135.00 138.15 1bn3 n PRO 201 Ca -0.14 0.31 0.03 0.00 -2.02 0.00 0.00 63.50 61.68 1bn3 n PRO 201 Cb 0.60 -2.19 0.17 0.00 -0.02 0.00 0.00 33.50 32.07 1bn3 n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1bn3 n PRO 202 N -1.29 0.43 -3.28 0.52 -0.04 -1.26 -4.98 135.00 125.10 1bn3 n PRO 202 Ca 0.14 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.37 1bn3 n PRO 202 Cb 0.48 -1.21 0.01 0.00 -0.04 0.00 0.00 33.50 32.74 1bn3 n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bn3 n LEU 203 N -0.71 -1.90 -4.77 1.53 4.77 0.38 -4.89 117.00 111.41 1bn3 n LEU 203 Ca 0.04 -0.37 -0.41 0.00 -0.03 0.00 0.00 56.01 55.24 1bn3 n LEU 203 Cb 0.02 -2.38 -0.01 0.00 -2.33 0.00 0.00 43.42 38.72 1bn3 n LEU 203 CO 0.03 0.19 1.04 -0.76 -1.33 0.00 0.00 177.39 176.56 1bn3 s LEU 204 N -6.57 4.39 -1.18 2.23 1.43 -1.26 -4.43 118.68 113.29 1bn3 s LEU 204 Ca 0.38 2.83 -0.06 0.00 -1.03 0.00 0.00 54.13 56.24 1bn3 s LEU 204 Cb -0.19 -3.66 0.24 0.00 0.03 0.00 0.00 46.19 42.61 1bn3 s LEU 204 CO 0.47 -0.67 1.70 -0.62 0.23 0.00 0.00 176.35 177.46 1bn3 n GLU 205 N 0.72 4.13 0.00 1.70 1.02 -1.26 -1.15 120.64 125.80 1bn3 n GLU 205 Ca 0.01 -4.06 0.00 0.00 -0.02 0.00 0.00 57.16 53.09 1bn3 n GLU 205 Cb 0.41 -2.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.13 1bn3 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bn3 s VAL 207 N -0.75 5.07 -0.35 0.00 1.01 -1.03 -0.82 120.40 123.54 1bn3 s VAL 207 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 1bn3 s VAL 207 Cb 0.00 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 1bn3 s VAL 207 CO 0.00 0.52 0.22 -0.89 0.00 0.00 0.00 175.10 174.95 1bn3 s THR 208 N -0.20 5.01 -0.09 3.92 2.01 -0.30 -0.02 115.64 125.97 1bn3 s THR 208 Ca 0.09 -0.44 -0.21 0.00 0.31 0.00 0.00 61.69 61.44 1bn3 s THR 208 Cb -0.12 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1bn3 s THR 208 CO 0.01 -0.08 0.61 0.26 -0.69 0.00 0.00 174.62 174.74 1bn3 s TRP 209 N 1.66 3.55 -0.32 4.92 0.52 -0.53 -2.44 118.94 126.30 1bn3 s TRP 209 Ca 0.05 1.11 0.02 0.00 0.02 0.00 0.00 56.10 57.30 1bn3 s TRP 209 Cb -0.18 -2.70 0.10 0.00 -1.15 0.00 0.00 33.47 29.53 1bn3 s TRP 209 CO 0.09 0.12 0.05 0.42 0.02 0.00 0.00 176.95 177.65 1bn3 s ILE 210 N 0.73 1.78 -0.26 2.03 1.01 -0.85 -2.60 121.20 123.04 1bn3 s ILE 210 Ca 0.33 -1.96 -0.08 0.00 0.00 0.00 0.00 60.65 58.94 1bn3 s ILE 210 Cb -0.17 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 1bn3 s ILE 210 CO 0.15 -0.58 0.10 -0.69 0.00 0.00 0.00 174.94 173.92 1bn3 s VAL 211 N 1.16 4.57 0.34 2.92 1.01 -0.60 -0.53 120.40 129.27 1bn3 s VAL 211 Ca 0.09 -0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.69 1bn3 s VAL 211 Cb -0.18 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.95 1bn3 s VAL 211 CO -0.13 0.30 1.14 -0.76 0.00 0.00 0.00 175.10 175.65 1bn3 s LEU 212 N 1.65 4.37 0.16 3.92 1.43 -0.74 -0.72 118.68 128.76 1bn3 s LEU 212 Ca 0.06 2.32 0.03 0.00 -1.03 0.00 0.00 54.13 55.51 1bn3 s LEU 212 Cb -0.15 -3.82 -0.02 0.00 0.03 0.00 0.00 46.19 42.22 1bn3 s LEU 212 CO 0.06 -0.40 1.37 0.07 0.23 0.00 0.00 176.35 177.67 1bn3 h LYS 213 N 3.23 0.18 -5.74 1.70 2.10 -1.65 -3.44 116.57 112.96 1bn3 h LYS 213 Ca -0.48 -0.21 -0.59 0.00 -2.00 0.00 0.00 60.65 57.37 1bn3 h LYS 213 Cb 1.22 0.06 -0.09 0.00 -0.90 0.00 0.00 32.23 32.52 1bn3 h LYS 213 CO 0.65 0.96 0.30 -2.00 -2.00 0.00 0.00 179.45 177.35 1bn3 s GLU 214 N -3.17 4.20 0.72 0.07 2.12 -1.26 -5.03 118.70 116.35 1bn3 s GLU 214 Ca -0.03 0.80 -0.06 0.00 0.36 0.00 0.00 54.97 56.04 1bn3 s GLU 214 Cb 0.10 -3.61 0.09 0.00 0.26 0.00 0.00 34.13 30.96 1bn3 s GLU 214 CO 0.83 -0.38 1.02 -1.25 -0.54 0.00 0.00 175.26 174.94 1bn3 s PRO 215 N 2.36 1.96 0.11 4.30 0.04 -1.26 -4.67 135.00 137.84 1bn3 s PRO 215 Ca 0.32 -0.46 0.07 0.00 0.04 0.00 0.00 61.00 60.98 1bn3 s PRO 215 Cb -0.16 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1bn3 s PRO 215 CO 0.09 -1.36 -0.11 0.96 0.04 0.00 0.00 177.00 176.63 1bn3 s ILE 216 N -3.26 3.33 0.08 0.56 -4.36 -0.04 -4.83 121.20 112.68 1bn3 s ILE 216 Ca 0.62 -1.30 0.03 0.00 -0.26 0.00 0.00 60.65 59.74 1bn3 s ILE 216 Cb -0.09 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 1bn3 s ILE 216 CO 0.45 0.10 0.11 -0.94 0.24 0.00 0.00 174.94 174.90 1bn3 s SER 217 N -2.23 5.69 0.03 4.36 1.04 -1.26 -0.65 113.70 120.68 1bn3 s SER 217 Ca 0.21 0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.69 1bn3 s SER 217 Cb -0.11 -1.57 -0.02 0.00 0.10 0.00 0.00 66.02 64.41 1bn3 s SER 217 CO 0.14 0.17 -0.05 0.68 0.98 0.00 0.00 173.24 175.15 1bn3 s VAL 218 N -1.43 0.28 0.74 5.02 -7.23 -0.02 -3.60 120.40 114.16 1bn3 s VAL 218 Ca 0.30 -0.95 -0.11 0.00 -1.81 0.00 0.00 61.98 59.41 1bn3 s VAL 218 Cb -0.12 -0.39 0.04 0.00 0.56 0.00 0.00 36.38 36.46 1bn3 s VAL 218 CO 0.23 -0.44 1.08 -0.94 -0.31 0.00 0.00 175.10 174.72 1bn3 s SER 219 N -1.47 4.89 0.41 4.85 1.04 -1.14 -0.47 113.70 121.81 1bn3 s SER 219 Ca -0.13 1.69 0.12 0.00 0.48 0.00 0.00 55.95 58.11 1bn3 s SER 219 Cb -0.10 -2.48 0.88 0.00 0.10 0.00 0.00 66.02 64.43 1bn3 s SER 219 CO -0.00 -1.77 1.95 0.77 0.98 0.00 0.00 173.24 175.16 1bn3 h SER 220 N -0.95 0.11 0.44 7.02 4.64 -1.93 -2.15 113.55 120.73 1bn3 h SER 220 Ca -0.44 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 60.73 1bn3 h SER 220 Cb 1.22 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1bn3 h SER 220 CO 0.54 0.29 -0.57 1.05 -0.87 0.00 0.00 176.83 177.28 1bn3 h GLU 221 N 0.11 0.13 0.15 4.77 9.09 -1.96 0.10 114.58 126.98 1bn3 h GLU 221 Ca 0.02 -0.08 -0.01 0.00 0.05 0.00 0.00 59.36 59.34 1bn3 h GLU 221 Cb 0.37 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.48 1bn3 h GLU 221 CO 0.02 0.66 -0.07 1.96 0.05 0.00 0.00 179.01 181.63 1bn3 h GLN 222 N 0.10 -0.20 0.00 1.06 4.20 -1.77 -2.81 115.11 115.70 1bn3 h GLN 222 Ca -0.00 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1bn3 h GLN 222 Cb 1.03 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 1bn3 h GLN 222 CO 0.08 0.18 -0.06 -0.24 -0.67 0.00 0.00 178.83 178.12 1bn3 h VAL 223 N -0.63 0.20 -0.76 -0.54 3.04 -1.42 -2.22 116.25 113.91 1bn3 h VAL 223 Ca -0.02 -0.54 -0.04 0.00 -1.01 0.00 0.00 66.70 65.09 1bn3 h VAL 223 Cb 0.47 1.44 -0.03 0.00 -2.01 0.00 0.00 31.29 31.16 1bn3 h VAL 223 CO 0.03 0.06 0.32 0.25 -1.01 0.00 0.00 177.57 177.22 1bn3 h LEU 224 N 0.00 1.03 -1.51 3.16 5.85 -0.66 -2.29 115.31 120.90 1bn3 h LEU 224 Ca -0.00 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1bn3 h LEU 224 Cb 0.44 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1bn3 h LEU 224 CO 0.01 0.91 -0.19 0.11 -0.34 0.00 0.00 178.44 178.93 1bn3 h LYS 225 N 1.10 0.07 -0.43 1.25 1.79 -1.14 -2.61 116.57 116.61 1bn3 h LYS 225 Ca 0.26 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1bn3 h LYS 225 Cb 0.19 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1bn3 h LYS 225 CO -0.02 0.27 0.29 0.74 -1.08 0.00 0.00 179.45 179.64 1bn3 h PHE 226 N 0.07 0.54 0.00 -1.35 -1.00 -1.46 -2.92 116.94 110.82 1bn3 h PHE 226 Ca 0.01 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1bn3 h PHE 226 Cb 0.39 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.76 1bn3 h PHE 226 CO 0.00 0.34 0.00 0.54 -1.61 0.00 0.00 178.31 177.59 1bn3 n ARG 227 N -4.79 0.09 -0.34 1.51 1.74 -0.98 -2.29 116.66 111.60 1bn3 n ARG 227 Ca 0.01 0.24 0.12 0.00 -0.77 0.00 0.00 57.85 57.45 1bn3 n ARG 227 Cb 0.02 -1.50 0.30 0.00 -1.02 0.00 0.00 32.46 30.27 1bn3 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1bn3 n LYS 228 N -1.38 2.66 -1.73 5.56 5.02 -1.10 -4.35 118.16 122.84 1bn3 n LYS 228 Ca 0.04 -2.57 -0.30 0.00 -2.02 0.00 0.00 58.31 53.46 1bn3 n LYS 228 Cb 0.10 -1.56 0.07 0.00 -0.02 0.00 0.00 35.03 33.62 1bn3 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bn3 s LEU 229 N -1.09 2.72 -0.03 -0.35 1.02 -0.97 -4.90 118.68 115.07 1bn3 s LEU 229 Ca 0.47 1.18 0.07 0.00 0.02 0.00 0.00 54.13 55.87 1bn3 s LEU 229 Cb 0.25 -3.86 -0.01 0.00 0.02 0.00 0.00 46.19 42.58 1bn3 s LEU 229 CO 0.33 -1.69 -0.23 0.20 0.02 0.00 0.00 176.35 174.98 1bn3 s ASN 230 N -4.16 2.73 0.06 2.29 0.02 0.65 -0.61 114.94 115.92 1bn3 s ASN 230 Ca 0.60 -0.43 -0.16 0.00 -1.02 0.00 0.00 52.86 51.85 1bn3 s ASN 230 Cb -0.13 -0.45 -0.20 0.00 0.02 0.00 0.00 41.25 40.49 1bn3 s ASN 230 CO 0.53 0.26 1.21 -0.26 0.02 0.00 0.00 177.10 178.86 1bn3 h PHE 231 N 5.75 0.87 -4.31 2.20 0.04 -1.04 -3.33 116.94 117.12 1bn3 h PHE 231 Ca -0.38 -0.42 -0.51 0.00 2.80 0.00 0.00 57.97 59.45 1bn3 h PHE 231 Cb 1.14 -0.12 0.11 0.00 2.20 0.00 0.00 35.95 39.29 1bn3 h PHE 231 CO 0.40 1.24 0.35 0.54 -0.60 0.00 0.00 178.31 180.24 1bn3 s ASN 232 N -6.96 4.97 0.68 2.17 4.22 -1.26 -4.40 114.94 114.37 1bn3 s ASN 232 Ca -0.11 1.76 -0.08 0.00 -2.14 0.00 0.00 52.86 52.29 1bn3 s ASN 232 Cb 0.06 -2.51 0.04 0.00 1.28 0.00 0.00 41.25 40.12 1bn3 s ASN 232 CO 0.87 -1.72 1.01 -0.83 -2.04 0.00 0.00 177.10 174.39 1bn3 s GLY 233 N -3.44 1.65 0.51 0.45 0.00 -1.26 -1.89 107.32 103.34 1bn3 s GLY 233 Ca 0.61 -0.76 -0.23 0.00 0.00 0.00 0.00 44.72 44.33 1bn3 s GLY 233 CO 0.53 -0.39 1.39 1.85 0.00 0.00 0.00 173.10 176.48 1bn3 s GLU 234 N -5.22 3.35 0.00 2.90 2.12 -1.26 -1.97 118.70 118.61 1bn3 s GLU 234 Ca 0.58 2.32 0.00 0.00 0.36 0.00 0.00 54.97 58.23 1bn3 s GLU 234 Cb -0.11 -2.41 0.00 0.00 0.26 0.00 0.00 34.13 31.87 1bn3 s GLU 234 CO 0.46 -1.05 0.00 0.41 -0.54 0.00 0.00 175.26 174.54 1bn3 n GLY 235 N 0.67 1.07 3.86 -1.50 0.00 -1.26 -5.01 105.19 103.02 1bn3 n GLY 235 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1bn3 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bn3 s GLU 236 N -0.01 2.75 0.33 1.61 2.02 -0.83 -5.07 118.70 119.50 1bn3 s GLU 236 Ca 0.00 -1.27 -0.29 0.00 0.02 0.00 0.00 54.97 53.43 1bn3 s GLU 236 Cb 0.00 -2.49 -0.10 0.00 0.10 0.00 0.00 34.13 31.63 1bn3 s GLU 236 CO 0.00 0.10 1.39 -2.14 0.02 0.00 0.00 175.26 174.63 1bn3 s PRO 237 N -4.00 4.26 0.19 0.39 0.02 -1.26 -4.89 135.00 129.71 1bn3 s PRO 237 Ca 0.41 2.34 -0.30 0.00 0.02 0.00 0.00 61.00 63.47 1bn3 s PRO 237 Cb -0.06 -3.05 -0.09 0.00 0.02 0.00 0.00 34.50 31.33 1bn3 s PRO 237 CO 0.27 -0.34 1.32 -2.00 -0.33 0.00 0.00 177.00 175.92 1bn3 s GLU 238 N -1.59 4.38 -0.21 5.54 2.12 -1.26 -4.73 118.70 122.94 1bn3 s GLU 238 Ca 0.52 2.07 -0.01 0.00 0.36 0.00 0.00 54.97 57.90 1bn3 s GLU 238 Cb -0.42 -3.19 0.06 0.00 0.26 0.00 0.00 34.13 30.83 1bn3 s GLU 238 CO 0.54 -0.27 0.00 -1.21 -0.54 0.00 0.00 175.26 173.78 1bn3 s GLU 239 N -0.04 1.01 0.26 4.30 0.41 -1.26 -5.03 118.70 118.36 1bn3 s GLU 239 Ca 0.57 -0.64 -0.30 0.00 -0.41 0.00 0.00 54.97 54.19 1bn3 s GLU 239 Cb -0.37 -2.29 -0.11 0.00 -1.78 0.00 0.00 34.13 29.59 1bn3 s GLU 239 CO 0.38 -0.63 1.50 -0.51 -0.49 0.00 0.00 175.26 175.51 1bn3 s LEU 240 N 1.68 4.37 -0.83 1.80 1.43 -1.26 -0.49 118.68 125.38 1bn3 s LEU 240 Ca -0.03 2.78 -0.24 0.00 -1.03 0.00 0.00 54.13 55.61 1bn3 s LEU 240 Cb -0.18 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.47 1bn3 s LEU 240 CO -0.07 -0.79 1.26 -0.32 0.23 0.00 0.00 176.35 176.66 1bn3 s MET 241 N -0.40 3.34 0.03 1.70 -2.45 0.22 -4.62 119.30 117.12 1bn3 s MET 241 Ca 0.61 -0.77 -0.05 0.00 -1.25 0.00 0.00 55.69 54.23 1bn3 s MET 241 Cb -0.44 -4.63 -0.01 0.00 1.25 0.00 0.00 34.83 31.00 1bn3 s MET 241 CO 0.45 -2.07 0.08 0.14 1.05 0.00 0.00 175.02 174.67 1bn3 s VAL 242 N 4.90 0.12 -1.34 10.11 -7.23 -1.26 -4.38 120.40 121.32 1bn3 s VAL 242 Ca 0.36 -0.99 -0.05 0.00 -1.81 0.00 0.00 61.98 59.48 1bn3 s VAL 242 Cb -0.07 -0.70 0.02 0.00 0.56 0.00 0.00 36.38 36.19 1bn3 s VAL 242 CO 0.04 -0.55 0.99 0.47 -0.31 0.00 0.00 175.10 175.74 1bn3 n ASP 243 N 1.04 -3.69 -3.15 4.85 8.00 -0.20 -4.87 116.55 118.53 1bn3 n ASP 243 Ca -0.21 -0.67 -0.36 0.00 0.71 0.00 0.00 54.79 54.27 1bn3 n ASP 243 Cb 0.57 -4.62 -0.02 0.00 -0.02 0.00 0.00 41.12 37.03 1bn3 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bn3 n ASN 244 N -3.02 7.50 -4.21 -2.24 6.94 -1.09 -4.90 115.26 114.23 1bn3 n ASN 244 Ca -0.14 -3.19 -0.18 0.00 -0.02 0.00 0.00 54.58 51.05 1bn3 n ASN 244 Cb 0.61 -1.31 -0.12 0.00 -2.36 0.00 0.00 39.78 36.61 1bn3 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1bn3 s TRP 245 N -1.49 1.33 -0.10 -2.53 1.48 -1.26 -4.61 118.94 111.76 1bn3 s TRP 245 Ca 0.55 -0.51 -0.05 0.00 -1.06 0.00 0.00 56.10 55.03 1bn3 s TRP 245 Cb 0.25 -0.72 -0.04 0.00 -1.16 0.00 0.00 33.47 31.80 1bn3 s TRP 245 CO -0.14 0.10 0.10 0.50 -4.06 0.00 0.00 176.95 173.45 1bn3 s ARG 246 N -2.22 3.30 0.72 3.25 3.52 -1.26 -4.96 118.95 121.30 1bn3 s ARG 246 Ca 0.04 -0.22 -0.14 0.00 -0.13 0.00 0.00 55.73 55.27 1bn3 s ARG 246 Cb -0.07 -3.07 0.03 0.00 -1.56 0.00 0.00 34.95 30.28 1bn3 s ARG 246 CO 0.03 0.75 1.16 -2.14 -0.81 0.00 0.00 175.30 174.29 1bn3 s PRO 247 N -1.04 2.32 0.44 5.12 0.02 -1.26 -4.69 135.00 135.91 1bn3 s PRO 247 Ca 0.15 1.58 -0.26 0.00 0.02 0.00 0.00 61.00 62.49 1bn3 s PRO 247 Cb -0.12 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 1bn3 s PRO 247 CO 0.04 -1.65 1.44 0.00 -0.33 0.00 0.00 177.00 176.49 1bn3 s ALA 248 N -2.21 3.29 0.17 -1.55 0.00 -1.26 -4.40 121.76 115.81 1bn3 s ALA 248 Ca 0.70 1.48 0.05 0.00 0.00 0.00 0.00 51.96 54.19 1bn3 s ALA 248 Cb -0.25 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 1bn3 s ALA 248 CO 0.45 -1.17 0.20 -0.65 0.00 0.00 0.00 175.76 174.59 1bn3 s GLN 249 N -2.39 3.09 0.27 0.00 -1.52 0.22 -4.95 119.66 114.39 1bn3 s GLN 249 Ca 0.60 -0.80 -0.30 0.00 -1.95 0.00 0.00 55.36 52.90 1bn3 s GLN 249 Cb -0.44 -2.74 -0.10 0.00 -0.22 0.00 0.00 33.01 29.50 1bn3 s GLN 249 CO 0.57 0.48 1.46 -1.25 -0.25 0.00 0.00 175.29 176.31 1bn3 s PRO 250 N -3.28 4.23 0.27 2.91 0.04 -1.26 -4.47 135.00 133.44 1bn3 s PRO 250 Ca 0.32 2.37 0.02 0.00 0.04 0.00 0.00 61.00 63.75 1bn3 s PRO 250 Cb -0.10 -3.08 0.38 0.00 0.04 0.00 0.00 34.50 31.74 1bn3 s PRO 250 CO 0.25 -0.45 1.71 1.25 0.04 0.00 0.00 177.00 179.80 1bn3 h LEU 251 N 4.70 0.52 0.00 -3.56 5.85 -1.94 -3.44 115.31 117.44 1bn3 h LEU 251 Ca -0.47 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.07 1bn3 h LEU 251 Cb 1.22 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1bn3 h LEU 251 CO 0.76 0.77 0.00 0.29 -0.34 0.00 0.00 178.44 179.92 1bn3 n LYS 252 N -4.12 0.00 -1.47 1.25 5.02 -1.26 -3.30 118.16 114.29 1bn3 n LYS 252 Ca -0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 1bn3 n LYS 252 Cb 0.41 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.37 1bn3 n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bn3 n ASN 253 N 4.09 7.51 -3.98 4.39 5.15 -1.26 -4.87 115.26 126.28 1bn3 n ASN 253 Ca 0.00 -2.81 -0.09 0.00 -0.60 0.00 0.00 54.58 51.08 1bn3 n ASN 253 Cb 0.00 -1.43 -0.10 0.00 -0.53 0.00 0.00 39.78 37.72 1bn3 n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1bn3 s ARG 254 N 0.40 0.47 0.00 1.20 0.52 -1.21 -5.11 118.95 115.22 1bn3 s ARG 254 Ca 0.63 -0.78 0.04 0.00 -0.52 0.00 0.00 55.73 55.10 1bn3 s ARG 254 Cb 0.24 0.17 -0.01 0.00 0.52 0.00 0.00 34.95 35.87 1bn3 s ARG 254 CO -0.08 -0.09 -0.12 -1.14 0.02 0.00 0.00 175.30 173.88 1bn3 s GLN 255 N -2.34 0.91 -0.22 3.54 0.74 -1.26 -5.01 119.66 116.02 1bn3 s GLN 255 Ca -0.08 -0.50 -0.16 0.00 0.05 0.00 0.00 55.36 54.68 1bn3 s GLN 255 Cb -0.03 -0.88 -0.04 0.00 1.10 0.00 0.00 33.01 33.16 1bn3 s GLN 255 CO -0.04 0.23 0.39 0.42 -0.55 0.00 0.00 175.29 175.75 1bn3 s ILE 256 N -0.44 5.19 -0.04 -2.34 1.01 -1.26 -4.70 121.20 118.62 1bn3 s ILE 256 Ca 0.03 0.68 -0.07 0.00 0.00 0.00 0.00 60.65 61.29 1bn3 s ILE 256 Cb -0.05 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 1bn3 s ILE 256 CO -0.00 0.22 0.23 -0.54 0.00 0.00 0.00 174.94 174.86 1bn3 s LYS 257 N 1.52 3.56 0.07 2.79 1.02 -0.32 -0.89 119.74 127.49 1bn3 s LYS 257 Ca 0.18 -0.06 0.04 0.00 0.02 0.00 0.00 55.97 56.16 1bn3 s LYS 257 Cb -0.15 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1bn3 s LYS 257 CO 0.08 0.70 -0.01 0.00 -0.92 0.00 0.00 175.35 175.20 1bn3 s ALA 258 N -1.19 3.25 -2.42 5.17 0.00 0.41 -0.73 121.76 126.25 1bn3 s ALA 258 Ca 0.23 -1.10 0.25 0.00 0.00 0.00 0.00 51.96 51.35 1bn3 s ALA 258 Cb -0.13 -1.18 0.53 0.00 0.00 0.00 0.00 23.12 22.33 1bn3 s ALA 258 CO 0.12 0.68 1.44 -1.13 0.00 0.00 0.00 175.76 176.87 1bn3 n SER 259 N 0.75 1.97 -4.33 0.00 3.41 -0.14 -1.29 113.62 114.00 1bn3 n SER 259 Ca -0.12 -1.54 -0.17 0.00 -0.26 0.00 0.00 58.87 56.78 1bn3 n SER 259 Cb 0.52 0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 1bn3 n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1bn3 s PHE 260 N -2.19 1.56 0.00 7.33 -0.71 -1.26 -4.89 117.98 117.82 1bn3 s PHE 260 Ca 0.29 -1.11 0.00 0.00 -1.04 0.00 0.00 56.93 55.07 1bn3 s PHE 260 Cb 0.20 -0.93 0.00 0.00 -1.21 0.00 0.00 43.02 41.08 1bn3 s PHE 260 CO 0.41 -0.25 0.28 1.17 -1.34 0.00 0.00 175.22 175.49