#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr4 s TRP 5 N 0.00 0.03 0.00 1.57 1.48 -1.26 -4.89 118.94 115.87 1fr4 s TRP 5 Ca 0.00 -0.28 0.00 0.00 -1.06 0.00 0.00 56.10 54.76 1fr4 s TRP 5 Cb 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 33.47 32.31 1fr4 s TRP 5 CO 0.00 -0.48 0.00 0.41 -4.06 0.00 0.00 176.95 172.82 1fr4 n GLY 6 N 0.49 2.30 0.00 3.67 0.00 0.31 -5.01 105.19 106.95 1fr4 n GLY 6 Ca -0.18 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1fr4 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fr4 n TYR 7 N 0.00 0.00 -1.94 1.61 4.01 -1.26 -3.73 117.16 115.85 1fr4 n TYR 7 Ca 0.00 -0.50 -0.30 0.00 -0.16 0.00 0.00 57.90 56.94 1fr4 n TYR 7 Cb 0.00 -0.05 0.18 0.00 -0.31 0.00 0.00 39.34 39.15 1fr4 n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1fr4 s GLY 8 N -1.04 1.76 0.36 2.72 0.00 -1.26 -4.67 107.32 105.19 1fr4 s GLY 8 Ca 0.01 -1.16 0.03 0.00 0.00 0.00 0.00 44.72 43.61 1fr4 s GLY 8 CO 0.00 -0.42 1.98 1.70 0.00 0.00 0.00 173.10 176.37 1fr4 h LYS 9 N -1.58 0.71 -0.11 2.90 1.63 -1.97 0.14 116.57 118.30 1fr4 h LYS 9 Ca -0.44 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1fr4 h LYS 9 Cb 1.24 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1fr4 h LYS 9 CO 0.41 0.52 0.00 0.72 -3.45 0.00 0.00 179.45 177.65 1fr4 n HIS 10 N -4.40 0.11 -1.65 1.91 8.25 -1.26 -4.33 115.22 113.85 1fr4 n HIS 10 Ca 0.04 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1fr4 n HIS 10 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1fr4 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1fr4 n ASN 11 N 1.37 0.00 -3.89 0.41 6.94 -1.19 -4.98 115.26 113.92 1fr4 n ASN 11 Ca 0.15 -1.32 -0.30 0.00 -0.02 0.00 0.00 54.58 53.10 1fr4 n ASN 11 Cb 0.60 -0.06 0.23 0.00 -2.36 0.00 0.00 39.78 38.18 1fr4 n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1fr4 s GLY 12 N -0.32 1.63 0.45 4.83 0.00 0.49 -0.53 107.32 113.87 1fr4 s GLY 12 Ca 0.00 -1.01 0.31 0.00 0.00 0.00 0.00 44.72 44.03 1fr4 s GLY 12 CO 0.00 -0.15 1.64 -2.55 0.00 0.00 0.00 173.10 172.03 1fr4 h PRO 13 N -2.36 0.09 0.00 2.90 0.11 -1.84 0.26 132.00 131.17 1fr4 h PRO 13 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1fr4 h PRO 13 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1fr4 h PRO 13 CO 0.35 0.06 0.00 0.39 -0.21 0.00 0.00 178.00 178.59 1fr4 n GLU 14 N -4.60 0.13 -0.01 1.05 4.71 -1.26 -3.02 120.64 117.64 1fr4 n GLU 14 Ca 0.37 0.32 0.09 0.00 -0.01 0.00 0.00 57.16 57.93 1fr4 n GLU 14 Cb 1.44 -1.72 -0.14 0.00 -1.01 0.00 0.00 31.44 30.00 1fr4 n GLU 14 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1fr4 n HIS 15 N -1.96 0.00 -0.32 -0.32 8.25 0.91 -4.65 115.22 117.12 1fr4 n HIS 15 Ca 0.03 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.70 1fr4 n HIS 15 Cb 0.24 -0.42 0.48 0.00 1.12 0.00 0.00 29.99 31.41 1fr4 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1fr4 h TRP 16 N 0.00 0.70 0.00 4.41 6.55 -1.45 -2.54 115.95 123.62 1fr4 h TRP 16 Ca 0.00 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.86 1fr4 h TRP 16 Cb 0.85 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.94 1fr4 h TRP 16 CO 0.00 0.09 0.00 1.12 -1.05 0.00 0.00 178.44 178.60 1fr4 h HIS 17 N 0.44 0.00 -0.01 0.49 2.07 -1.80 0.12 115.15 116.47 1fr4 h HIS 17 Ca 0.58 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.91 1fr4 h HIS 17 Cb 1.39 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.36 1fr4 h HIS 17 CO -0.00 0.00 -0.83 0.87 -3.07 0.00 0.00 177.93 174.90 1fr4 h LYS 18 N 0.00 0.17 0.05 5.12 1.57 -1.81 -2.47 116.57 119.20 1fr4 h LYS 18 Ca 0.00 -0.17 -0.34 0.00 -1.87 0.00 0.00 60.65 58.27 1fr4 h LYS 18 Cb 0.01 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1fr4 h LYS 18 CO 0.00 0.90 -1.99 -0.25 -0.57 0.00 0.00 179.45 177.54 1fr4 n ASP 19 N -3.67 1.45 -3.83 0.86 10.43 -0.86 -4.69 116.55 116.24 1fr4 n ASP 19 Ca -0.03 0.22 -0.30 0.00 2.57 0.00 0.00 54.79 57.25 1fr4 n ASP 19 Cb 0.78 -0.34 -0.13 0.00 1.84 0.00 0.00 41.12 43.26 1fr4 n ASP 19 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1fr4 s PHE 20 N -2.56 2.60 0.53 1.24 0.08 0.35 -4.97 117.98 115.25 1fr4 s PHE 20 Ca -0.16 -2.82 0.30 0.00 0.12 0.00 0.00 56.93 54.37 1fr4 s PHE 20 Cb 0.07 -2.34 1.44 0.00 -0.57 0.00 0.00 43.02 41.62 1fr4 s PHE 20 CO 0.78 -0.75 1.91 -1.35 -0.10 0.00 0.00 175.22 175.70 1fr4 h PRO 21 N 6.53 0.03 0.00 0.24 0.11 -1.68 -0.74 132.00 136.49 1fr4 h PRO 21 Ca -0.03 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1fr4 h PRO 21 Cb 0.90 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1fr4 h PRO 21 CO 0.59 0.02 0.00 1.51 -0.21 0.00 0.00 178.00 179.91 1fr4 n ILE 22 N -4.30 1.51 0.28 4.15 0.13 -1.26 -1.79 119.36 118.08 1fr4 n ILE 22 Ca 0.17 0.38 0.18 0.00 -1.10 0.00 0.00 62.75 62.38 1fr4 n ILE 22 Cb 0.88 -1.33 0.92 0.00 -0.84 0.00 0.00 39.64 39.27 1fr4 n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1fr4 h ALA 23 N 2.11 1.00 -0.24 1.51 0.00 -1.45 0.34 119.26 122.53 1fr4 h ALA 23 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1fr4 h ALA 23 Cb 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1fr4 h ALA 23 CO 0.00 0.00 -0.13 1.63 0.00 0.00 0.00 179.25 180.75 1fr4 n LYS 24 N -2.78 1.91 -0.67 0.00 5.02 -0.74 -4.96 118.16 115.94 1fr4 n LYS 24 Ca -0.02 -3.10 -0.13 0.00 -2.02 0.00 0.00 58.31 53.05 1fr4 n LYS 24 Cb 0.10 -1.76 0.10 0.00 -0.02 0.00 0.00 35.03 33.45 1fr4 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fr4 n GLY 25 N -1.06 -1.87 0.15 0.72 0.00 0.11 -5.01 105.19 98.24 1fr4 n GLY 25 Ca 0.27 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.82 1fr4 n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fr4 h GLU 26 N 0.00 0.00 -2.05 1.61 4.39 -1.96 -3.39 114.58 113.18 1fr4 h GLU 26 Ca -0.19 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 58.98 1fr4 h GLU 26 Cb 0.53 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.78 1fr4 h GLU 26 CO 0.13 0.00 -1.04 2.89 -1.16 0.00 0.00 179.01 179.82 1fr4 n ARG 27 N -2.72 1.28 -3.44 2.33 1.85 -1.26 -4.74 116.66 109.95 1fr4 n ARG 27 Ca 0.03 -3.61 -0.30 0.00 -1.00 0.00 0.00 57.85 52.97 1fr4 n ARG 27 Cb 0.51 -1.63 -0.04 0.00 -1.05 0.00 0.00 32.46 30.25 1fr4 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1fr4 s GLN 28 N -2.06 3.66 0.18 2.89 -1.52 -1.26 -2.68 119.66 118.87 1fr4 s GLN 28 Ca 0.39 0.03 0.08 0.00 -1.95 0.00 0.00 55.36 53.92 1fr4 s GLN 28 Cb 0.25 -2.69 -0.04 0.00 -0.22 0.00 0.00 33.01 30.30 1fr4 s GLN 28 CO -0.09 0.30 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.96 1fr4 s SER 29 N -2.84 2.66 0.94 5.90 0.01 -1.26 -4.64 113.70 114.48 1fr4 s SER 29 Ca 0.44 -0.93 -0.13 0.00 1.31 0.00 0.00 55.95 56.64 1fr4 s SER 29 Cb -0.11 -0.15 0.20 0.00 0.21 0.00 0.00 66.02 66.17 1fr4 s SER 29 CO 0.27 -0.09 1.24 -0.81 0.41 0.00 0.00 173.24 174.26 1fr4 n PRO 30 N -0.01 -1.03 -4.18 12.44 -0.04 -1.26 -4.55 135.00 136.38 1fr4 n PRO 30 Ca -0.11 -2.16 -0.11 0.00 -0.04 0.00 0.00 63.50 61.08 1fr4 n PRO 30 Cb 0.58 -1.20 -0.10 0.00 -0.04 0.00 0.00 33.50 32.75 1fr4 n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1fr4 s VAL 31 N -3.69 0.38 0.13 0.52 -7.23 -1.26 0.37 120.40 109.63 1fr4 s VAL 31 Ca 0.72 -1.92 -0.24 0.00 -1.81 0.00 0.00 61.98 58.73 1fr4 s VAL 31 Cb -0.02 -1.97 -0.07 0.00 0.56 0.00 0.00 36.38 34.88 1fr4 s VAL 31 CO 0.50 -0.58 0.72 -0.62 -0.31 0.00 0.00 175.10 174.81 1fr4 s ASP 32 N -3.08 7.29 -0.42 4.85 2.15 -1.26 -3.22 116.67 122.98 1fr4 s ASP 32 Ca 0.21 1.53 -0.12 0.00 0.43 0.00 0.00 52.55 54.60 1fr4 s ASP 32 Cb 0.07 -2.46 0.06 0.00 -0.30 0.00 0.00 42.92 40.29 1fr4 s ASP 32 CO 0.00 0.22 0.29 -0.63 -0.17 0.00 0.00 175.17 174.88 1fr4 s ILE 33 N -1.07 4.72 -0.68 4.11 1.01 0.94 -4.92 121.20 125.30 1fr4 s ILE 33 Ca 0.34 -1.09 -0.23 0.00 0.00 0.00 0.00 60.65 59.67 1fr4 s ILE 33 Cb -0.22 -3.78 0.06 0.00 0.01 0.00 0.00 42.46 38.53 1fr4 s ILE 33 CO 0.24 -0.44 1.04 -0.62 0.00 0.00 0.00 174.94 175.16 1fr4 s ASP 34 N 2.08 6.18 0.66 3.58 3.68 -1.26 -0.59 116.67 131.00 1fr4 s ASP 34 Ca 0.03 -0.89 0.34 0.00 2.13 0.00 0.00 52.55 54.16 1fr4 s ASP 34 Cb -0.22 -2.45 1.85 0.00 -1.45 0.00 0.00 42.92 40.64 1fr4 s ASP 34 CO 0.05 -1.53 2.05 0.71 0.13 0.00 0.00 175.17 176.58 1fr4 h THR 35 N 5.99 0.02 -0.00 1.71 1.35 -1.95 -0.34 112.91 119.69 1fr4 h THR 35 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1fr4 h THR 35 Cb 1.06 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1fr4 h THR 35 CO 1.21 0.00 -0.30 1.41 -0.25 0.00 0.00 175.52 177.59 1fr4 n HIS 36 N -2.98 0.00 -0.01 4.73 8.25 -1.26 -3.98 115.22 119.97 1fr4 n HIS 36 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1fr4 n HIS 36 Cb 0.30 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1fr4 n HIS 36 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1fr4 n THR 37 N -1.27 0.00 -2.14 1.59 -2.24 -0.20 -5.02 114.28 105.00 1fr4 n THR 37 Ca 0.08 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 60.98 1fr4 n THR 37 Cb 0.33 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 1fr4 n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fr4 s ALA 38 N -0.75 3.54 -0.37 6.98 0.00 -0.82 -4.85 121.76 125.49 1fr4 s ALA 38 Ca 0.00 1.21 -0.20 0.00 0.00 0.00 0.00 51.96 52.97 1fr4 s ALA 38 Cb 0.00 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1fr4 s ALA 38 CO 0.00 -0.61 0.60 0.21 0.00 0.00 0.00 175.76 175.96 1fr4 s LYS 39 N -0.75 3.58 0.24 0.00 2.36 0.09 -4.77 119.74 120.48 1fr4 s LYS 39 Ca 0.54 -0.10 -0.30 0.00 -2.55 0.00 0.00 55.97 53.56 1fr4 s LYS 39 Cb -0.39 -3.84 -0.10 0.00 -1.05 0.00 0.00 37.83 32.46 1fr4 s LYS 39 CO 0.44 -0.76 1.40 -0.47 1.55 0.00 0.00 175.35 177.51 1fr4 s TYR 40 N 2.63 3.08 -0.30 4.03 5.04 -1.26 0.04 117.35 130.60 1fr4 s TYR 40 Ca 0.22 1.10 -0.01 0.00 -2.44 0.00 0.00 57.07 55.94 1fr4 s TYR 40 Cb -0.15 -3.76 0.10 0.00 0.35 0.00 0.00 41.96 38.50 1fr4 s TYR 40 CO 0.15 -2.42 0.09 0.34 -1.34 0.00 0.00 175.55 172.37 1fr4 s ASP 41 N 0.31 3.99 0.00 4.32 3.68 0.42 -4.81 116.67 124.58 1fr4 s ASP 41 Ca 0.58 -1.60 0.22 0.00 2.13 0.00 0.00 52.55 53.88 1fr4 s ASP 41 Cb -0.40 -0.87 1.33 0.00 -1.45 0.00 0.00 42.92 41.52 1fr4 s ASP 41 CO 0.42 -0.41 1.71 -0.81 0.13 0.00 0.00 175.17 176.21 1fr4 n PRO 42 N 4.84 0.69 0.04 4.34 -0.04 -1.26 -2.73 135.00 140.88 1fr4 n PRO 42 Ca -0.02 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.56 1fr4 n PRO 42 Cb 0.42 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.70 1fr4 n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1fr4 n SER 43 N -1.00 0.52 -4.69 3.54 3.41 -1.26 -4.85 113.62 109.28 1fr4 n SER 43 Ca 0.17 0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.49 1fr4 n SER 43 Cb 0.08 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 1fr4 n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1fr4 s LEU 44 N -3.63 4.33 0.77 1.04 1.43 -1.11 -4.99 118.68 116.52 1fr4 s LEU 44 Ca 0.10 2.18 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 1fr4 s LEU 44 Cb 0.16 -3.57 0.06 0.00 0.03 0.00 0.00 46.19 42.87 1fr4 s LEU 44 CO 0.66 -0.72 1.13 -0.54 0.23 0.00 0.00 176.35 177.12 1fr4 s LYS 45 N 2.18 2.09 0.55 1.70 -0.14 -1.20 -4.89 119.74 120.04 1fr4 s LYS 45 Ca 0.65 1.43 -0.20 0.00 -1.36 0.00 0.00 55.97 56.49 1fr4 s LYS 45 Cb -0.33 -1.86 -0.05 0.00 -1.68 0.00 0.00 37.83 33.92 1fr4 s LYS 45 CO 0.28 -1.80 1.24 -2.14 -0.76 0.00 0.00 175.35 172.17 1fr4 s PRO 46 N -4.44 3.17 -0.12 -1.68 0.02 -1.26 -1.53 135.00 129.16 1fr4 s PRO 46 Ca 0.67 1.94 -0.29 0.00 0.02 0.00 0.00 61.00 63.33 1fr4 s PRO 46 Cb -0.22 -2.12 -0.03 0.00 0.02 0.00 0.00 34.50 32.16 1fr4 s PRO 46 CO 0.51 -1.08 1.41 -1.17 -0.33 0.00 0.00 177.00 176.33 1fr4 s LEU 47 N -3.71 4.23 -0.33 -5.54 0.20 -1.26 -1.19 118.68 111.08 1fr4 s LEU 47 Ca 0.73 1.90 -0.09 0.00 0.69 0.00 0.00 54.13 57.36 1fr4 s LEU 47 Cb -0.33 -3.54 0.02 0.00 -0.43 0.00 0.00 46.19 41.91 1fr4 s LEU 47 CO 0.38 -0.82 0.15 -0.55 -0.29 0.00 0.00 176.35 175.21 1fr4 s SER 48 N 2.48 5.48 -0.30 3.68 0.15 0.18 -4.87 113.70 120.51 1fr4 s SER 48 Ca 0.62 -0.82 -0.06 0.00 0.70 0.00 0.00 55.95 56.39 1fr4 s SER 48 Cb -0.26 -1.96 0.02 0.00 -1.71 0.00 0.00 66.02 62.11 1fr4 s SER 48 CO 0.20 -0.28 0.06 -0.69 1.20 0.00 0.00 173.24 173.73 1fr4 s VAL 49 N 1.53 3.70 -0.58 4.45 1.01 -1.26 -0.98 120.40 128.27 1fr4 s VAL 49 Ca 0.02 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1fr4 s VAL 49 Cb -0.18 -2.96 0.15 0.00 0.00 0.00 0.00 36.38 33.39 1fr4 s VAL 49 CO 0.05 0.03 0.35 -0.44 0.00 0.00 0.00 175.10 175.09 1fr4 s SER 50 N 1.44 4.58 -0.19 3.32 0.01 -0.26 -4.90 113.70 117.69 1fr4 s SER 50 Ca 0.01 -3.21 0.16 0.00 1.31 0.00 0.00 55.95 54.22 1fr4 s SER 50 Cb -0.18 -1.67 0.64 0.00 0.21 0.00 0.00 66.02 65.02 1fr4 s SER 50 CO 0.01 -0.21 1.55 -1.22 0.41 0.00 0.00 173.24 173.78 1fr4 n TYR 51 N 2.87 1.38 0.03 2.43 4.01 -1.26 -1.18 117.16 125.45 1fr4 n TYR 51 Ca 0.09 -0.80 -0.11 0.00 -0.16 0.00 0.00 57.90 56.92 1fr4 n TYR 51 Cb 0.33 -0.38 -0.04 0.00 -0.31 0.00 0.00 39.34 38.94 1fr4 n TYR 51 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1fr4 h ASP 52 N 2.73 -0.90 -0.90 7.72 3.58 -1.91 -2.82 116.42 123.92 1fr4 h ASP 52 Ca 0.00 0.13 -0.44 0.00 0.42 0.00 0.00 57.03 57.13 1fr4 h ASP 52 Cb 1.63 0.37 -0.26 0.00 1.72 0.00 0.00 39.33 42.79 1fr4 h ASP 52 CO 0.32 -0.35 0.53 0.00 -2.88 0.00 0.00 179.24 176.86 1fr4 n GLN 53 N -5.40 2.42 -1.70 0.28 1.13 -1.26 -5.00 117.38 107.86 1fr4 n GLN 53 Ca -0.04 -3.04 -0.42 0.00 -1.94 0.00 0.00 57.00 51.56 1fr4 n GLN 53 Cb 0.31 -2.15 -0.00 0.00 0.11 0.00 0.00 30.24 28.51 1fr4 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fr4 n ALA 54 N -1.01 1.29 -3.74 -1.58 0.00 -1.07 -4.60 120.51 109.80 1fr4 n ALA 54 Ca 0.55 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 54.04 1fr4 n ALA 54 Cb 1.57 -2.25 -0.15 0.00 0.00 0.00 0.00 19.45 18.62 1fr4 n ALA 54 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1fr4 s THR 55 N -1.11 0.99 0.69 0.00 -1.32 -1.26 -4.90 115.64 108.72 1fr4 s THR 55 Ca 0.56 -1.58 -0.13 0.00 -1.21 0.00 0.00 61.69 59.33 1fr4 s THR 55 Cb -0.56 -1.74 0.02 0.00 -1.51 0.00 0.00 72.50 68.70 1fr4 s THR 55 CO 0.62 -0.70 1.10 -0.94 -2.21 0.00 0.00 174.62 172.48 1fr4 s SER 56 N 1.43 4.99 0.08 8.08 1.04 -1.26 -1.36 113.70 126.70 1fr4 s SER 56 Ca 0.11 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.44 1fr4 s SER 56 Cb -0.18 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.40 1fr4 s SER 56 CO -0.21 -1.71 0.00 0.18 0.98 0.00 0.00 173.24 172.48 1fr4 n LEU 57 N -2.79 0.64 -4.09 2.42 4.77 0.15 -4.31 117.00 113.79 1fr4 n LEU 57 Ca 0.10 0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 56.11 1fr4 n LEU 57 Cb 0.52 -0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 1fr4 n LEU 57 CO 0.50 -0.68 -0.27 -0.13 -1.33 0.00 0.00 177.39 175.49 1fr4 s ARG 58 N -1.67 0.85 -0.04 3.23 0.52 -1.14 -1.91 118.95 118.80 1fr4 s ARG 58 Ca 0.00 -1.31 0.05 0.00 -0.52 0.00 0.00 55.73 53.95 1fr4 s ARG 58 Cb 0.00 0.26 -0.01 0.00 0.52 0.00 0.00 34.95 35.72 1fr4 s ARG 58 CO 0.00 -0.24 -0.18 -1.50 0.02 0.00 0.00 175.30 173.40 1fr4 s ILE 59 N -3.99 1.49 0.02 1.52 2.07 -0.42 0.43 121.20 122.32 1fr4 s ILE 59 Ca 0.17 -0.76 -0.06 0.00 -1.41 0.00 0.00 60.65 58.59 1fr4 s ILE 59 Cb 0.07 -1.27 -0.00 0.00 0.13 0.00 0.00 42.46 41.39 1fr4 s ILE 59 CO -0.03 0.43 0.11 -0.22 -1.91 0.00 0.00 174.94 173.32 1fr4 s LEU 60 N -0.06 1.68 -0.42 8.50 2.96 0.62 -0.48 118.68 131.48 1fr4 s LEU 60 Ca -0.02 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.42 1fr4 s LEU 60 Cb -0.11 0.63 0.07 0.00 0.50 0.00 0.00 46.19 47.28 1fr4 s LEU 60 CO 0.02 -0.44 0.27 0.21 -1.32 0.00 0.00 176.35 175.09 1fr4 s ASN 61 N -1.74 5.71 -0.09 3.68 3.84 -0.21 0.52 114.94 126.65 1fr4 s ASN 61 Ca -0.10 -1.43 0.13 0.00 0.21 0.00 0.00 52.86 51.67 1fr4 s ASN 61 Cb -0.05 -2.01 0.53 0.00 -0.55 0.00 0.00 41.25 39.17 1fr4 s ASN 61 CO -0.01 -0.53 1.39 -0.46 -2.79 0.00 0.00 177.10 174.70 1fr4 n ASN 62 N 4.96 3.67 0.00 -4.21 6.94 -1.03 0.10 115.26 125.69 1fr4 n ASN 62 Ca -0.11 -2.35 0.00 0.00 -0.02 0.00 0.00 54.58 52.10 1fr4 n ASN 62 Cb 0.43 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 1fr4 n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1fr4 n GLY 63 N 0.87 1.88 0.03 4.83 0.00 -1.26 -4.77 105.19 106.76 1fr4 n GLY 63 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 1fr4 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fr4 n HIS 64 N -2.00 0.00 -3.77 1.61 8.25 -1.26 -4.66 115.22 113.39 1fr4 n HIS 64 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1fr4 n HIS 64 Cb 0.00 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 30.85 1fr4 n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fr4 s ALA 65 N -2.13 -2.36 0.17 -1.41 0.00 -1.26 -4.90 121.76 109.86 1fr4 s ALA 65 Ca -0.03 0.43 -0.16 0.00 0.00 0.00 0.00 51.96 52.20 1fr4 s ALA 65 Cb 0.02 0.58 -0.07 0.00 0.00 0.00 0.00 23.12 23.64 1fr4 s ALA 65 CO 0.22 -1.10 0.61 -0.59 0.00 0.00 0.00 175.76 174.90 1fr4 s PHE 66 N -2.20 3.62 -0.05 0.00 -0.71 -1.26 -2.45 117.98 114.92 1fr4 s PHE 66 Ca 0.21 1.17 -0.01 0.00 -1.04 0.00 0.00 56.93 57.26 1fr4 s PHE 66 Cb 0.03 -2.45 0.03 0.00 -1.21 0.00 0.00 43.02 39.41 1fr4 s PHE 66 CO -0.03 0.39 0.01 -0.80 -1.34 0.00 0.00 175.22 173.46 1fr4 s ASN 67 N -1.71 0.98 -0.30 1.98 -0.87 0.18 -3.78 114.94 111.44 1fr4 s ASN 67 Ca 0.40 -0.03 -0.13 0.00 -1.57 0.00 0.00 52.86 51.53 1fr4 s ASN 67 Cb -0.15 -0.29 -0.04 0.00 -0.02 0.00 0.00 41.25 40.75 1fr4 s ASN 67 CO 0.20 -0.16 0.27 -0.69 -2.57 0.00 0.00 177.10 174.14 1fr4 s VAL 68 N 1.56 5.25 -0.04 1.60 1.01 0.32 -0.28 120.40 129.83 1fr4 s VAL 68 Ca -0.02 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 1fr4 s VAL 68 Cb -0.13 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1fr4 s VAL 68 CO -0.03 0.14 0.22 -0.70 0.00 0.00 0.00 175.10 174.73 1fr4 s GLU 69 N 1.86 3.53 0.29 2.72 2.56 0.17 -1.54 118.70 128.29 1fr4 s GLU 69 Ca 0.09 -0.11 0.12 0.00 0.00 0.00 0.00 54.97 55.07 1fr4 s GLU 69 Cb -0.16 -3.13 -0.05 0.00 2.00 0.00 0.00 34.13 32.79 1fr4 s GLU 69 CO 0.11 0.70 -0.17 -0.06 -0.56 0.00 0.00 175.26 175.28 1fr4 s PHE 70 N -1.21 2.34 -0.43 5.30 0.40 -0.37 0.33 117.98 124.35 1fr4 s PHE 70 Ca 0.23 -0.34 -0.26 0.00 -0.60 0.00 0.00 56.93 55.96 1fr4 s PHE 70 Cb -0.13 -1.05 0.02 0.00 0.51 0.00 0.00 43.02 42.37 1fr4 s PHE 70 CO 0.13 0.70 0.97 0.34 0.70 0.00 0.00 175.22 178.05 1fr4 s ASP 71 N -3.54 6.60 -0.27 1.36 2.15 -0.47 -4.85 116.67 117.66 1fr4 s ASP 71 Ca 0.30 0.37 0.11 0.00 0.43 0.00 0.00 52.55 53.76 1fr4 s ASP 71 Cb -0.04 -2.48 0.53 0.00 -0.30 0.00 0.00 42.92 40.63 1fr4 s ASP 71 CO 0.16 -1.01 1.50 -0.90 -0.17 0.00 0.00 175.17 174.74 1fr4 n ASP 72 N 7.14 2.99 0.06 -0.34 5.75 -1.26 -4.62 116.55 126.28 1fr4 n ASP 72 Ca 0.08 -3.55 0.11 0.00 -0.01 0.00 0.00 54.79 51.42 1fr4 n ASP 72 Cb 0.48 -0.63 0.45 0.00 -1.03 0.00 0.00 41.12 40.40 1fr4 n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1fr4 n SER 73 N -0.95 0.39 -3.48 -1.12 3.41 -1.26 -4.84 113.62 105.78 1fr4 n SER 73 Ca 0.32 0.57 -0.15 0.00 -0.26 0.00 0.00 58.87 59.35 1fr4 n SER 73 Cb 1.05 -0.66 -0.06 0.00 -0.26 0.00 0.00 64.21 64.28 1fr4 n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1fr4 s GLN 74 N -3.12 1.73 -1.11 4.33 -0.21 -1.26 -5.06 119.66 114.97 1fr4 s GLN 74 Ca 0.09 -1.77 -0.07 0.00 0.02 0.00 0.00 55.36 53.62 1fr4 s GLN 74 Cb 0.12 0.39 -0.04 0.00 1.00 0.00 0.00 33.01 34.48 1fr4 s GLN 74 CO 0.44 -0.68 2.89 -0.25 -2.12 0.00 0.00 175.29 175.57 1fr4 n ASP 75 N -1.20 7.66 -0.03 5.90 10.43 -1.26 -4.62 116.55 133.43 1fr4 n ASP 75 Ca 0.03 -2.80 -0.01 0.00 2.57 0.00 0.00 54.79 54.58 1fr4 n ASP 75 Cb 0.62 -1.44 -0.00 0.00 1.84 0.00 0.00 41.12 42.15 1fr4 n ASP 75 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1fr4 h LYS 76 N 4.28 -0.04 -4.61 -1.24 1.57 -1.89 -3.43 116.57 111.23 1fr4 h LYS 76 Ca 0.65 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.74 1fr4 h LYS 76 Cb 0.56 0.01 -0.33 0.00 0.08 0.00 0.00 32.23 32.55 1fr4 h LYS 76 CO 1.31 -0.02 -0.60 0.00 -0.57 0.00 0.00 179.45 179.56 1fr4 s ALA 77 N -2.67 3.03 0.23 3.86 0.00 -1.26 -3.97 121.76 120.99 1fr4 s ALA 77 Ca -0.01 -2.12 0.08 0.00 0.00 0.00 0.00 51.96 49.91 1fr4 s ALA 77 Cb 0.00 -2.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 1fr4 s ALA 77 CO 0.02 -1.54 -0.13 0.14 0.00 0.00 0.00 175.76 174.25 1fr4 s VAL 78 N 1.24 1.80 -0.05 0.00 -7.23 -0.32 -1.09 120.40 114.74 1fr4 s VAL 78 Ca 0.02 -2.21 0.04 0.00 -1.81 0.00 0.00 61.98 58.01 1fr4 s VAL 78 Cb -0.21 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1fr4 s VAL 78 CO -0.02 -0.49 -0.16 -0.22 -0.31 0.00 0.00 175.10 173.91 1fr4 s LEU 79 N -3.37 1.85 0.34 1.32 2.96 0.78 -1.10 118.68 121.45 1fr4 s LEU 79 Ca 0.25 -0.35 -0.12 0.00 -0.22 0.00 0.00 54.13 53.70 1fr4 s LEU 79 Cb 0.00 -0.94 0.03 0.00 0.50 0.00 0.00 46.19 45.77 1fr4 s LEU 79 CO 0.09 0.11 0.64 -1.59 -1.32 0.00 0.00 176.35 174.29 1fr4 s LYS 80 N 0.26 2.00 1.94 1.98 -2.85 -0.15 -1.40 119.74 121.51 1fr4 s LYS 80 Ca -0.08 -1.48 0.00 0.00 -1.00 0.00 0.00 55.97 53.41 1fr4 s LYS 80 Cb -0.13 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 1fr4 s LYS 80 CO 0.03 -0.89 0.00 0.41 0.10 0.00 0.00 175.35 175.00 1fr4 n GLY 81 N -0.52 -0.70 7.00 0.59 0.00 -1.26 0.52 105.19 110.82 1fr4 n GLY 81 Ca -0.04 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1fr4 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fr4 n GLY 82 N 0.00 2.91 0.50 -0.02 0.00 -0.33 -0.18 105.19 108.06 1fr4 n GLY 82 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1fr4 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fr4 n PRO 83 N 14.00 1.67 -3.03 1.61 -0.04 -1.26 -3.25 135.00 144.71 1fr4 n PRO 83 Ca 0.00 -0.99 -0.34 0.00 -0.04 0.00 0.00 63.50 62.13 1fr4 n PRO 83 Cb 0.00 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 31.96 1fr4 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fr4 s LEU 84 N -1.78 4.10 -0.21 1.53 1.43 0.75 -5.07 118.68 119.43 1fr4 s LEU 84 Ca 0.35 1.45 -0.01 0.00 -1.03 0.00 0.00 54.13 54.89 1fr4 s LEU 84 Cb 0.19 -4.10 0.02 0.00 0.03 0.00 0.00 46.19 42.33 1fr4 s LEU 84 CO 0.30 -0.19 -0.12 -1.81 0.23 0.00 0.00 176.35 174.76 1fr4 s ASP 85 N -2.09 3.81 0.00 2.29 1.01 -1.26 -4.24 116.67 116.19 1fr4 s ASP 85 Ca 0.54 -0.72 0.00 0.00 0.71 0.00 0.00 52.55 53.08 1fr4 s ASP 85 Cb -0.12 -1.59 0.00 0.00 1.01 0.00 0.00 42.92 42.22 1fr4 s ASP 85 CO 0.17 -0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.11 1fr4 n GLY 86 N 4.66 -1.64 3.48 0.21 0.00 -1.26 -4.95 105.19 105.68 1fr4 n GLY 86 Ca -0.19 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 1fr4 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fr4 s THR 87 N 0.00 2.97 -0.14 2.61 2.01 -1.26 -4.58 115.64 117.25 1fr4 s THR 87 Ca 0.00 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1fr4 s THR 87 Cb 0.00 -2.22 0.02 0.00 0.01 0.00 0.00 72.50 70.31 1fr4 s THR 87 CO 0.00 0.44 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.90 1fr4 s TYR 88 N -0.86 2.24 -0.04 4.92 1.51 -0.50 -1.24 117.35 123.39 1fr4 s TYR 88 Ca 0.14 -1.18 -0.19 0.00 -1.01 0.00 0.00 57.07 54.83 1fr4 s TYR 88 Cb -0.11 -1.60 -0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1fr4 s TYR 88 CO 0.04 -0.61 0.54 1.03 -1.11 0.00 0.00 175.55 175.44 1fr4 s ARG 89 N 1.19 4.27 0.10 -0.62 0.52 -0.29 -0.15 118.95 123.96 1fr4 s ARG 89 Ca -0.01 0.61 -0.31 0.00 -0.52 0.00 0.00 55.73 55.50 1fr4 s ARG 89 Cb -0.14 -3.36 -0.07 0.00 0.52 0.00 0.00 34.95 31.91 1fr4 s ARG 89 CO -0.06 0.34 1.30 -1.17 0.02 0.00 0.00 175.30 175.73 1fr4 s LEU 90 N -0.05 4.37 0.00 2.53 2.96 -0.25 -1.29 118.68 126.95 1fr4 s LEU 90 Ca 0.29 2.19 0.00 0.00 -0.22 0.00 0.00 54.13 56.39 1fr4 s LEU 90 Cb -0.17 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1fr4 s LEU 90 CO 0.15 -0.57 0.00 0.00 -1.32 0.00 0.00 176.35 174.61 1fr4 n ILE 91 N 3.88 0.00 -3.68 6.68 3.06 0.10 -4.50 119.36 124.89 1fr4 n ILE 91 Ca 0.10 0.00 -0.15 0.00 -2.50 0.00 0.00 62.75 60.21 1fr4 n ILE 91 Cb 0.44 -0.68 -0.08 0.00 0.54 0.00 0.00 39.64 39.87 1fr4 n ILE 91 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 1fr4 s GLN 92 N -1.91 0.80 -0.06 9.51 0.74 -1.17 -1.24 119.66 126.33 1fr4 s GLN 92 Ca 0.00 -0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.33 1fr4 s GLN 92 Cb 0.00 0.37 0.02 0.00 1.10 0.00 0.00 33.01 34.50 1fr4 s GLN 92 CO 0.00 -0.24 -0.06 0.42 -0.55 0.00 0.00 175.29 174.86 1fr4 s ILE 93 N -1.41 0.70 0.19 -2.34 1.01 -0.59 0.06 121.20 118.82 1fr4 s ILE 93 Ca -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 1fr4 s ILE 93 Cb -0.03 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 1fr4 s ILE 93 CO 0.05 0.28 0.14 -1.38 0.00 0.00 0.00 174.94 174.03 1fr4 s HIS 94 N 1.17 1.00 -0.01 3.97 -3.43 -0.90 -0.52 115.29 116.58 1fr4 s HIS 94 Ca -0.07 -1.28 0.06 0.00 -0.80 0.00 0.00 55.06 52.97 1fr4 s HIS 94 Cb -0.14 -0.47 -0.01 0.00 -1.43 0.00 0.00 32.58 30.53 1fr4 s HIS 94 CO -0.01 -0.64 -0.18 1.41 -2.00 0.00 0.00 174.74 173.32 1fr4 s MET 95 N -4.12 1.41 -0.19 -0.38 1.75 -1.25 -1.09 119.30 115.43 1fr4 s MET 95 Ca 0.34 -0.65 -0.06 0.00 -1.25 0.00 0.00 55.69 54.06 1fr4 s MET 95 Cb 0.06 -1.37 -0.03 0.00 2.84 0.00 0.00 34.83 36.33 1fr4 s MET 95 CO 0.09 0.37 0.03 -1.01 -0.65 0.00 0.00 175.02 173.85 1fr4 s HIS 96 N -0.45 3.11 0.08 4.11 3.76 0.08 -4.66 115.29 121.32 1fr4 s HIS 96 Ca 0.07 -0.23 0.05 0.00 -0.15 0.00 0.00 55.06 54.79 1fr4 s HIS 96 Cb -0.07 -2.09 -0.03 0.00 1.11 0.00 0.00 32.58 31.50 1fr4 s HIS 96 CO -0.00 -0.09 -0.13 0.54 -0.85 0.00 0.00 174.74 174.21 1fr4 s VAL 97 N 0.78 1.06 0.52 -0.90 0.11 -1.25 -0.77 120.40 119.96 1fr4 s VAL 97 Ca 0.02 -1.42 0.08 0.00 -2.93 0.00 0.00 61.98 57.73 1fr4 s VAL 97 Cb -0.14 -1.16 0.08 0.00 -1.53 0.00 0.00 36.38 33.63 1fr4 s VAL 97 CO 0.02 -0.33 0.62 0.61 -3.33 0.00 0.00 175.10 172.69 1fr4 n GLY 98 N 1.04 2.21 0.05 6.54 0.00 -0.98 0.02 105.19 114.07 1fr4 n GLY 98 Ca -0.19 -2.24 0.10 0.00 0.00 0.00 0.00 46.02 43.69 1fr4 n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fr4 n SER 99 N -2.22 0.35 -4.22 1.61 3.41 -1.26 -4.34 113.62 106.94 1fr4 n SER 99 Ca 0.10 0.13 -0.21 0.00 -0.26 0.00 0.00 58.87 58.63 1fr4 n SER 99 Cb 0.55 1.34 -0.13 0.00 -0.26 0.00 0.00 64.21 65.72 1fr4 n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1fr4 s LEU 100 N -4.89 2.26 0.58 1.04 1.02 -1.26 -5.04 118.68 112.38 1fr4 s LEU 100 Ca -0.05 -0.61 0.28 0.00 0.02 0.00 0.00 54.13 53.77 1fr4 s LEU 100 Cb 0.12 -0.71 1.53 0.00 0.02 0.00 0.00 46.19 47.14 1fr4 s LEU 100 CO 0.86 0.01 1.99 0.44 0.02 0.00 0.00 176.35 179.67 1fr4 h ASP 101 N 4.36 0.00 -0.13 2.29 5.19 -1.92 -1.74 116.42 124.48 1fr4 h ASP 101 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1fr4 h ASP 101 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1fr4 h ASP 101 CO 0.41 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 177.14 1fr4 n GLY 102 N -1.50 -0.32 3.32 2.75 0.00 -1.26 -2.85 105.19 105.33 1fr4 n GLY 102 Ca 0.06 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1fr4 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1fr4 s GLN 103 N -1.83 1.08 0.00 1.61 -2.07 -0.66 -4.42 119.66 113.37 1fr4 s GLN 103 Ca 0.18 -0.94 0.00 0.00 -1.82 0.00 0.00 55.36 52.79 1fr4 s GLN 103 Cb 0.09 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.43 1fr4 s GLN 103 CO 0.14 -0.40 0.00 0.41 -1.32 0.00 0.00 175.29 174.11 1fr4 n GLY 104 N -0.19 3.26 3.82 2.60 0.00 -0.89 -3.39 105.19 110.39 1fr4 n GLY 104 Ca -0.12 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 1fr4 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fr4 s SER 105 N 0.00 5.74 -0.22 1.61 1.04 -0.62 -3.81 113.70 117.44 1fr4 s SER 105 Ca 0.00 1.67 -0.16 0.00 0.48 0.00 0.00 55.95 57.93 1fr4 s SER 105 Cb 0.00 -2.51 -0.18 0.00 0.10 0.00 0.00 66.02 63.43 1fr4 s SER 105 CO 0.00 -1.20 0.04 -0.62 0.98 0.00 0.00 173.24 172.44 1fr4 n GLU 106 N -2.53 0.60 -2.91 4.02 1.02 -1.26 -4.82 120.64 114.75 1fr4 n GLU 106 Ca 0.08 0.42 -0.34 0.00 -0.02 0.00 0.00 57.16 57.30 1fr4 n GLU 106 Cb 0.53 -1.66 -0.07 0.00 -0.02 0.00 0.00 31.44 30.23 1fr4 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1fr4 s HIS 107 N -2.44 3.46 0.19 -0.32 3.76 -1.26 -4.30 115.29 114.38 1fr4 s HIS 107 Ca -0.31 1.54 0.09 0.00 -0.15 0.00 0.00 55.06 56.23 1fr4 s HIS 107 Cb 0.09 -2.77 -0.04 0.00 1.11 0.00 0.00 32.58 30.96 1fr4 s HIS 107 CO 0.59 0.06 -0.17 0.95 -0.85 0.00 0.00 174.74 175.32 1fr4 s THR 108 N -1.92 1.86 -0.23 1.30 -4.23 -1.20 -4.70 115.64 106.52 1fr4 s THR 108 Ca 0.55 -2.09 0.02 0.00 -1.18 0.00 0.00 61.69 59.00 1fr4 s THR 108 Cb -0.12 -1.97 0.04 0.00 1.34 0.00 0.00 72.50 71.79 1fr4 s THR 108 CO 0.17 -0.44 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.99 1fr4 s VAL 109 N -2.46 2.12 -1.41 2.29 1.01 -0.52 -0.04 120.40 121.39 1fr4 s VAL 109 Ca 0.20 -1.37 -0.06 0.00 0.00 0.00 0.00 61.98 60.75 1fr4 s VAL 109 Cb -0.04 -2.11 0.04 0.00 0.00 0.00 0.00 36.38 34.27 1fr4 s VAL 109 CO 0.08 0.19 0.81 0.47 0.00 0.00 0.00 175.10 176.65 1fr4 n ASP 110 N 4.51 -2.74 0.00 3.32 8.00 0.25 -0.25 116.55 129.64 1fr4 n ASP 110 Ca -0.17 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1fr4 n ASP 110 Cb 0.45 -3.94 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 1fr4 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1fr4 n LYS 111 N -4.47 0.00 -2.40 -1.24 4.76 -1.26 -4.97 118.16 108.59 1fr4 n LYS 111 Ca -0.15 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.88 1fr4 n LYS 111 Cb 0.61 -2.70 -0.03 0.00 -1.84 0.00 0.00 35.03 31.07 1fr4 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1fr4 s LYS 112 N -0.01 4.49 -0.04 1.97 2.20 0.66 -4.97 119.74 124.03 1fr4 s LYS 112 Ca 0.00 1.84 0.00 0.00 -0.36 0.00 0.00 55.97 57.46 1fr4 s LYS 112 Cb 0.00 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1fr4 s LYS 112 CO 0.00 -0.11 -0.01 0.15 -0.36 0.00 0.00 175.35 175.02 1fr4 s LYS 113 N 0.02 2.83 0.44 4.03 1.02 -1.26 -1.43 119.74 125.39 1fr4 s LYS 113 Ca 0.54 -0.54 0.05 0.00 0.02 0.00 0.00 55.97 56.03 1fr4 s LYS 113 Cb -0.32 -2.69 0.01 0.00 -0.52 0.00 0.00 37.83 34.31 1fr4 s LYS 113 CO 0.35 0.65 0.62 0.71 -0.92 0.00 0.00 175.35 176.76 1fr4 s TYR 114 N -0.98 2.95 0.45 3.18 2.02 -1.26 -4.42 117.35 119.29 1fr4 s TYR 114 Ca 0.16 -0.16 0.22 0.00 -0.37 0.00 0.00 57.07 56.92 1fr4 s TYR 114 Cb -0.11 -2.39 1.29 0.00 -0.40 0.00 0.00 41.96 40.34 1fr4 s TYR 114 CO 0.06 -0.45 2.05 0.00 -1.57 0.00 0.00 175.55 175.65 1fr4 h ALA 115 N 0.50 1.49 -2.56 3.71 0.00 -1.31 -1.51 119.26 119.57 1fr4 h ALA 115 Ca -0.43 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 54.50 1fr4 h ALA 115 Cb 1.28 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1fr4 h ALA 115 CO 0.50 0.17 0.40 0.00 0.00 0.00 0.00 179.25 180.32 1fr4 s ALA 116 N -4.44 -1.52 -0.09 0.00 0.00 -1.21 -2.31 121.76 112.20 1fr4 s ALA 116 Ca -0.04 0.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.90 1fr4 s ALA 116 Cb 0.14 0.71 0.05 0.00 0.00 0.00 0.00 23.12 24.02 1fr4 s ALA 116 CO 0.63 -1.03 0.19 -2.00 0.00 0.00 0.00 175.76 173.55 1fr4 s GLU 117 N -3.50 0.11 0.06 0.00 2.12 0.05 -0.94 118.70 116.61 1fr4 s GLU 117 Ca 0.11 0.53 -0.15 0.00 0.36 0.00 0.00 54.97 55.82 1fr4 s GLU 117 Cb -0.03 -0.17 -0.06 0.00 0.26 0.00 0.00 34.13 34.13 1fr4 s GLU 117 CO 0.03 -0.23 0.48 -1.17 -0.54 0.00 0.00 175.26 173.83 1fr4 s LEU 118 N 1.72 4.45 -0.19 2.70 2.96 0.52 -0.74 118.68 130.10 1fr4 s LEU 118 Ca -0.04 1.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.91 1fr4 s LEU 118 Cb -0.12 -2.85 0.04 0.00 0.50 0.00 0.00 46.19 43.76 1fr4 s LEU 118 CO -0.07 0.25 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.13 1fr4 s HIS 119 N -1.21 2.14 -0.40 5.38 3.76 -0.25 -1.46 115.29 123.25 1fr4 s HIS 119 Ca 0.29 -1.39 -0.12 0.00 -0.15 0.00 0.00 55.06 53.68 1fr4 s HIS 119 Cb -0.17 -1.51 0.04 0.00 1.11 0.00 0.00 32.58 32.04 1fr4 s HIS 119 CO 0.17 -0.69 0.26 -0.51 -0.85 0.00 0.00 174.74 173.11 1fr4 s LEU 120 N 1.49 4.97 -0.14 0.89 1.02 0.08 -2.12 118.68 124.87 1fr4 s LEU 120 Ca -0.00 -1.06 -0.20 0.00 0.02 0.00 0.00 54.13 52.89 1fr4 s LEU 120 Cb -0.16 -2.08 -0.04 0.00 0.02 0.00 0.00 46.19 43.94 1fr4 s LEU 120 CO -0.08 -0.45 0.55 -0.69 0.02 0.00 0.00 176.35 175.70 1fr4 s VAL 121 N 1.59 5.12 0.13 -1.59 1.01 0.11 -0.75 120.40 126.01 1fr4 s VAL 121 Ca 0.03 1.08 0.07 0.00 0.00 0.00 0.00 61.98 63.16 1fr4 s VAL 121 Cb -0.20 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1fr4 s VAL 121 CO 0.07 0.24 -0.16 -1.00 0.00 0.00 0.00 175.10 174.26 1fr4 s HIS 122 N 1.10 1.55 0.03 5.22 3.76 -0.23 -0.73 115.29 125.99 1fr4 s HIS 122 Ca 0.28 -0.51 0.05 0.00 -0.15 0.00 0.00 55.06 54.73 1fr4 s HIS 122 Cb -0.16 -0.80 -0.02 0.00 1.11 0.00 0.00 32.58 32.71 1fr4 s HIS 122 CO 0.11 0.20 -0.15 1.67 -0.85 0.00 0.00 174.74 175.73 1fr4 s TRP 123 N -1.98 1.31 -0.19 1.40 1.48 -0.42 -0.89 118.94 119.65 1fr4 s TRP 123 Ca 0.10 -0.34 -0.29 0.00 -1.06 0.00 0.00 56.10 54.52 1fr4 s TRP 123 Cb -0.06 -0.79 -0.04 0.00 -1.16 0.00 0.00 33.47 31.42 1fr4 s TRP 123 CO 0.04 0.03 1.91 1.21 -4.06 0.00 0.00 176.95 176.08 1fr4 s ASN 124 N -1.02 6.02 0.61 -2.66 3.84 0.21 -1.14 114.94 120.80 1fr4 s ASN 124 Ca 0.03 1.87 0.38 0.00 0.21 0.00 0.00 52.86 55.35 1fr4 s ASN 124 Cb -0.08 -2.52 2.07 0.00 -0.55 0.00 0.00 41.25 40.17 1fr4 s ASN 124 CO 0.01 -1.51 2.16 0.71 -2.79 0.00 0.00 177.10 175.68 1fr4 h THR 125 N 6.47 0.00 0.00 -5.21 1.35 -1.51 -2.05 112.91 111.96 1fr4 h THR 125 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1fr4 h THR 125 Cb 1.20 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1fr4 h THR 125 CO 0.98 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.54 1fr4 n LYS 127 N -2.90 0.65 -0.09 4.72 2.85 -1.26 -2.83 118.16 119.30 1fr4 n LYS 127 Ca -0.03 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.28 1fr4 n LYS 127 Cb 0.14 -1.33 0.09 0.00 -0.65 0.00 0.00 35.03 33.27 1fr4 n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1fr4 n TYR 128 N -0.83 0.23 0.00 5.58 4.01 -0.77 -5.04 117.16 120.34 1fr4 n TYR 128 Ca 0.10 -0.34 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1fr4 n TYR 128 Cb 0.05 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1fr4 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fr4 n GLY 129 N 0.31 1.70 3.76 2.72 0.00 -1.13 -4.45 105.19 108.10 1fr4 n GLY 129 Ca 0.07 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 1fr4 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fr4 s ASP 130 N 0.00 -0.16 0.24 1.61 1.47 -1.26 -5.05 116.67 113.51 1fr4 s ASP 130 Ca 0.00 -0.77 -0.05 0.00 1.18 0.00 0.00 52.55 52.91 1fr4 s ASP 130 Cb 0.00 0.69 0.36 0.00 -0.34 0.00 0.00 42.92 43.63 1fr4 s ASP 130 CO 0.00 -1.30 1.81 0.15 0.68 0.00 0.00 175.17 176.51 1fr4 h PHE 131 N 2.09 0.82 -1.00 2.11 3.57 -1.94 -0.86 116.94 121.73 1fr4 h PHE 131 Ca -0.22 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.32 1fr4 h PHE 131 Cb 1.25 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.69 1fr4 h PHE 131 CO 0.50 0.35 0.66 0.78 -2.23 0.00 0.00 178.31 178.37 1fr4 h GLY 132 N 0.78 1.41 1.32 2.40 0.00 -1.97 -1.75 103.07 105.26 1fr4 h GLY 132 Ca 0.37 -0.52 -0.25 0.00 0.00 0.00 0.00 47.33 46.93 1fr4 h GLY 132 CO -0.23 0.51 -0.98 1.70 0.00 0.00 0.00 176.54 177.54 1fr4 h LYS 133 N 1.35 0.62 -0.84 4.80 1.63 -1.73 -3.32 116.57 119.08 1fr4 h LYS 133 Ca 0.37 -0.64 0.02 0.00 -0.85 0.00 0.00 60.65 59.55 1fr4 h LYS 133 Cb -0.14 0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 31.62 1fr4 h LYS 133 CO -0.08 1.24 0.54 0.00 -3.45 0.00 0.00 179.45 177.70 1fr4 h ALA 134 N 0.54 1.08 0.00 5.00 0.00 -0.76 -2.04 119.26 123.08 1fr4 h ALA 134 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1fr4 h ALA 134 Cb 1.62 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1fr4 h ALA 134 CO 0.19 0.41 0.00 1.33 0.00 0.00 0.00 179.25 181.17 1fr4 n VAL 135 N -4.54 1.24 0.91 0.00 0.24 -0.69 -1.08 118.33 114.41 1fr4 n VAL 135 Ca 0.10 0.50 0.09 0.00 -2.04 0.00 0.00 64.34 62.99 1fr4 n VAL 135 Cb 0.06 -1.45 0.29 0.00 -1.47 0.00 0.00 33.84 31.27 1fr4 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fr4 n GLN 136 N -1.95 1.92 -5.28 7.34 6.02 -0.76 -4.64 117.38 120.03 1fr4 n GLN 136 Ca 0.00 -1.40 -0.31 0.00 -0.01 0.00 0.00 57.00 55.28 1fr4 n GLN 136 Cb 0.09 -1.39 -0.16 0.00 1.02 0.00 0.00 30.24 29.80 1fr4 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1fr4 s GLN 137 N -1.63 2.12 0.49 -1.09 -1.52 -0.24 -5.02 119.66 112.76 1fr4 s GLN 137 Ca 0.32 -0.92 0.21 0.00 -1.95 0.00 0.00 55.36 53.01 1fr4 s GLN 137 Cb 0.17 -2.05 1.24 0.00 -0.22 0.00 0.00 33.01 32.15 1fr4 s GLN 137 CO 0.25 0.56 1.97 -1.00 -0.25 0.00 0.00 175.29 176.82 1fr4 h PRO 138 N 5.46 0.18 -0.52 2.91 0.13 -1.85 -0.59 132.00 137.72 1fr4 h PRO 138 Ca -0.43 -0.01 -0.36 0.00 -0.87 0.00 0.00 66.00 64.32 1fr4 h PRO 138 Cb 1.12 -0.04 -0.25 0.00 0.13 0.00 0.00 31.00 31.96 1fr4 h PRO 138 CO 0.47 0.12 -0.43 -0.40 -0.23 0.00 0.00 178.00 177.53 1fr4 n ASP 139 N -4.42 3.96 0.06 1.44 3.85 -1.26 -3.84 116.55 116.33 1fr4 n ASP 139 Ca 0.11 -3.80 -0.07 0.00 -0.71 0.00 0.00 54.79 50.32 1fr4 n ASP 139 Cb 0.54 -0.51 -0.11 0.00 -1.35 0.00 0.00 41.12 39.69 1fr4 n ASP 139 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1fr4 h GLY 140 N 1.65 0.00 -3.14 6.12 0.00 -0.75 -3.42 103.07 103.53 1fr4 h GLY 140 Ca 0.28 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.04 1fr4 h GLY 140 CO 0.60 0.00 -0.79 1.08 0.00 0.00 0.00 176.54 177.43 1fr4 s LEU 141 N -6.68 2.45 -0.15 3.11 1.43 0.56 0.63 118.68 120.04 1fr4 s LEU 141 Ca 0.01 -0.88 -0.02 0.00 -1.03 0.00 0.00 54.13 52.21 1fr4 s LEU 141 Cb 0.10 -0.95 0.04 0.00 0.03 0.00 0.00 46.19 45.41 1fr4 s LEU 141 CO 0.82 0.01 -0.01 0.00 0.23 0.00 0.00 176.35 177.40 1fr4 s ALA 142 N -2.01 1.09 -0.16 4.21 0.00 -0.07 -0.68 121.76 124.14 1fr4 s ALA 142 Ca 0.19 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 1fr4 s ALA 142 Cb -0.06 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1fr4 s ALA 142 CO 0.08 -0.82 -0.09 0.08 0.00 0.00 0.00 175.76 175.01 1fr4 s VAL 143 N 1.81 3.26 -0.25 0.00 1.01 -0.92 -1.07 120.40 124.25 1fr4 s VAL 143 Ca 0.01 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.24 1fr4 s VAL 143 Cb -0.15 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1fr4 s VAL 143 CO -0.07 0.49 0.53 -0.22 0.00 0.00 0.00 175.10 175.84 1fr4 s LEU 144 N 0.68 4.07 -0.17 3.92 2.96 0.07 -1.58 118.68 128.63 1fr4 s LEU 144 Ca -0.05 0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 54.39 1fr4 s LEU 144 Cb -0.15 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 1fr4 s LEU 144 CO 0.02 -0.28 0.01 -0.83 -1.32 0.00 0.00 176.35 173.96 1fr4 s GLY 145 N 1.46 1.81 -0.11 7.98 0.00 0.25 -0.74 107.32 117.96 1fr4 s GLY 145 Ca 0.23 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 44.15 1fr4 s GLY 145 CO 0.09 0.02 -0.11 -0.42 0.00 0.00 0.00 173.10 172.68 1fr4 s ILE 146 N 0.42 1.20 0.47 0.90 1.01 -0.54 -1.21 121.20 123.46 1fr4 s ILE 146 Ca -0.00 -0.43 -0.19 0.00 0.00 0.00 0.00 60.65 60.03 1fr4 s ILE 146 Cb -0.13 -1.16 -0.09 0.00 0.01 0.00 0.00 42.46 41.09 1fr4 s ILE 146 CO 0.02 0.39 0.97 -0.36 0.00 0.00 0.00 174.94 175.96 1fr4 s PHE 147 N 1.37 3.33 -0.08 3.97 0.08 -1.26 -0.35 117.98 125.03 1fr4 s PHE 147 Ca -0.00 1.55 0.04 0.00 0.12 0.00 0.00 56.93 58.64 1fr4 s PHE 147 Cb -0.14 -2.85 -0.01 0.00 -0.57 0.00 0.00 43.02 39.46 1fr4 s PHE 147 CO -0.05 -0.30 -0.22 -0.51 -0.10 0.00 0.00 175.22 174.03 1fr4 s LEU 148 N -3.59 2.21 -0.00 -0.37 1.02 -0.11 -0.78 118.68 117.05 1fr4 s LEU 148 Ca 0.61 -0.48 0.02 0.00 0.02 0.00 0.00 54.13 54.30 1fr4 s LEU 148 Cb -0.10 -1.43 -0.01 0.00 0.02 0.00 0.00 46.19 44.67 1fr4 s LEU 148 CO 0.21 0.21 -0.06 -1.59 0.02 0.00 0.00 176.35 175.15 1fr4 s LYS 149 N 0.04 0.46 0.20 1.70 -2.85 -0.36 -2.35 119.74 116.59 1fr4 s LYS 149 Ca -0.09 -0.24 -0.32 0.00 -1.00 0.00 0.00 55.97 54.32 1fr4 s LYS 149 Cb -0.15 -0.43 -0.12 0.00 -2.06 0.00 0.00 37.83 35.06 1fr4 s LYS 149 CO 0.06 0.12 1.74 0.28 0.10 0.00 0.00 175.35 177.64 1fr4 n VAL 150 N 2.84 0.02 0.00 1.79 0.31 -1.26 -1.63 118.33 120.40 1fr4 n VAL 150 Ca -0.14 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1fr4 n VAL 150 Cb 0.58 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1fr4 n VAL 150 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fr4 n GLY 151 N 4.00 1.75 3.80 2.92 0.00 0.24 -4.76 105.19 113.14 1fr4 n GLY 151 Ca 0.16 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 1fr4 n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fr4 s SER 152 N 2.00 7.14 0.47 1.61 1.04 -1.26 -3.68 113.70 121.01 1fr4 s SER 152 Ca 0.00 1.78 -0.23 0.00 0.48 0.00 0.00 55.95 57.98 1fr4 s SER 152 Cb 0.00 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.46 1fr4 s SER 152 CO 0.00 -0.21 0.93 0.00 0.98 0.00 0.00 173.24 174.93 1fr4 n ALA 153 N -0.00 -0.05 -3.16 5.32 0.00 -1.26 -3.35 120.51 118.00 1fr4 n ALA 153 Ca 0.04 0.16 -0.40 0.00 0.00 0.00 0.00 53.44 53.25 1fr4 n ALA 153 Cb 0.52 -2.04 -0.11 0.00 0.00 0.00 0.00 19.45 17.82 1fr4 n ALA 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1fr4 s LYS 154 N -2.12 2.65 0.26 0.00 2.47 -1.26 -4.83 119.74 116.91 1fr4 s LYS 154 Ca 0.66 -1.29 -0.03 0.00 -1.56 0.00 0.00 55.97 53.75 1fr4 s LYS 154 Cb -0.52 -3.68 0.53 0.00 -1.46 0.00 0.00 37.83 32.70 1fr4 s LYS 154 CO 0.55 -0.81 1.69 -1.35 0.16 0.00 0.00 175.35 175.58 1fr4 h PRO 155 N 8.36 0.30 0.00 4.03 0.11 -1.93 0.14 132.00 143.01 1fr4 h PRO 155 Ca -0.23 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1fr4 h PRO 155 Cb 1.09 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1fr4 h PRO 155 CO 0.69 0.20 -0.02 0.78 -0.21 0.00 0.00 178.00 179.44 1fr4 h GLY 156 N 0.31 0.00 1.23 -0.55 0.00 -1.94 -1.58 103.07 100.53 1fr4 h GLY 156 Ca 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.71 1fr4 h GLY 156 CO -0.52 0.00 -0.96 1.41 0.00 0.00 0.00 176.54 176.48 1fr4 h LEU 157 N 0.00 0.00 -2.07 3.11 3.38 -1.23 -3.31 115.31 115.19 1fr4 h LEU 157 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1fr4 h LEU 157 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1fr4 h LEU 157 CO 0.00 0.25 -0.08 -0.61 0.09 0.00 0.00 178.44 178.09 1fr4 h GLN 158 N 0.00 0.00 -0.48 1.13 5.75 -0.47 0.92 115.11 121.96 1fr4 h GLN 158 Ca -0.05 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1fr4 h GLN 158 Cb 1.24 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.76 1fr4 h GLN 158 CO 0.02 0.08 0.22 0.87 -2.65 0.00 0.00 178.83 177.38 1fr4 h LYS 159 N 0.00 0.70 -0.07 1.69 6.56 -1.64 0.15 116.57 123.95 1fr4 h LYS 159 Ca -0.00 -0.11 -0.04 0.00 -1.06 0.00 0.00 60.65 59.44 1fr4 h LYS 159 Cb 0.20 -0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 31.74 1fr4 h LYS 159 CO 0.01 0.60 -0.10 0.28 -2.06 0.00 0.00 179.45 178.18 1fr4 h VAL 160 N 0.63 1.39 -0.52 0.50 2.07 -1.40 -3.20 116.25 115.72 1fr4 h VAL 160 Ca 0.16 -1.33 0.10 0.00 0.82 0.00 0.00 66.70 66.46 1fr4 h VAL 160 Cb 0.14 2.10 -0.09 0.00 -1.52 0.00 0.00 31.29 31.92 1fr4 h VAL 160 CO -0.02 0.37 -0.08 0.58 0.02 0.00 0.00 177.57 178.44 1fr4 h VAL 161 N -0.26 0.52 0.00 2.57 2.07 -0.66 -0.66 116.25 119.83 1fr4 h VAL 161 Ca 0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1fr4 h VAL 161 Cb 0.64 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1fr4 h VAL 161 CO 0.02 0.01 0.00 0.47 0.02 0.00 0.00 177.57 178.09 1fr4 n ASP 162 N -5.32 0.32 -0.02 0.57 8.00 0.49 -2.36 116.55 118.23 1fr4 n ASP 162 Ca 0.05 0.65 0.04 0.00 0.71 0.00 0.00 54.79 56.24 1fr4 n ASP 162 Cb 0.28 -0.69 -0.04 0.00 -0.02 0.00 0.00 41.12 40.65 1fr4 n ASP 162 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1fr4 n VAL 163 N -1.92 0.00 -0.29 2.53 3.14 -0.29 -4.72 118.33 116.78 1fr4 n VAL 163 Ca -0.01 -0.31 0.26 0.00 -2.96 0.00 0.00 64.34 61.32 1fr4 n VAL 163 Cb 0.02 1.01 0.59 0.00 -1.06 0.00 0.00 33.84 34.41 1fr4 n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1fr4 h LEU 164 N 0.08 0.28 -1.10 6.55 4.07 -1.08 -0.84 115.31 123.27 1fr4 h LEU 164 Ca 0.00 0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.03 1fr4 h LEU 164 Cb 0.20 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.90 1fr4 h LEU 164 CO 0.00 0.07 0.61 0.44 -1.08 0.00 0.00 178.44 178.48 1fr4 h ASP 165 N 0.25 1.03 0.86 -0.43 3.45 -1.84 -2.45 116.42 117.29 1fr4 h ASP 165 Ca 0.54 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.96 1fr4 h ASP 165 Cb 1.65 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 40.17 1fr4 h ASP 165 CO -0.17 0.73 -0.11 0.77 -1.57 0.00 0.00 179.24 178.89 1fr4 h SER 166 N 1.21 0.00 -0.24 6.45 4.64 -1.50 -3.23 113.55 120.87 1fr4 h SER 166 Ca 0.35 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.49 1fr4 h SER 166 Cb -0.07 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.85 1fr4 h SER 166 CO -0.09 0.11 -0.65 2.30 -0.87 0.00 0.00 176.83 177.63 1fr4 n ILE 167 N -3.29 2.15 -0.30 0.95 -5.35 -0.94 -4.60 119.36 107.99 1fr4 n ILE 167 Ca -0.00 -3.41 0.13 0.00 -0.27 0.00 0.00 62.75 59.20 1fr4 n ILE 167 Cb 0.34 -0.40 0.37 0.00 -1.74 0.00 0.00 39.64 38.21 1fr4 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1fr4 h LYS 168 N 1.41 0.67 -6.11 6.28 3.64 -1.52 -3.42 116.57 117.52 1fr4 h LYS 168 Ca 0.10 -0.04 -0.57 0.00 -1.27 0.00 0.00 60.65 58.87 1fr4 h LYS 168 Cb 1.23 -0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.80 1fr4 h LYS 168 CO 0.24 0.45 -0.61 0.95 -2.27 0.00 0.00 179.45 178.21 1fr4 s THR 169 N -5.71 3.01 0.11 1.00 -4.23 -1.26 0.41 115.64 108.97 1fr4 s THR 169 Ca -0.10 -1.90 -0.34 0.00 -1.18 0.00 0.00 61.69 58.17 1fr4 s THR 169 Cb 0.23 -2.84 -0.13 0.00 1.34 0.00 0.00 72.50 71.10 1fr4 s THR 169 CO 0.79 -0.26 1.64 1.17 -0.54 0.00 0.00 174.62 177.42 1fr4 n LYS 170 N -0.97 2.14 0.00 3.99 4.81 0.25 -1.98 118.16 126.40 1fr4 n LYS 170 Ca -0.05 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1fr4 n LYS 170 Cb 0.61 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 33.10 1fr4 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fr4 n GLY 171 N 3.61 2.26 3.77 3.14 0.00 0.12 -4.53 105.19 113.55 1fr4 n GLY 171 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1fr4 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fr4 s LYS 172 N -0.93 4.44 0.06 1.61 3.01 -0.84 -4.87 119.74 122.22 1fr4 s LYS 172 Ca 0.00 1.63 -0.05 0.00 -1.01 0.00 0.00 55.97 56.54 1fr4 s LYS 172 Cb 0.00 -2.89 -0.02 0.00 -1.01 0.00 0.00 37.83 33.91 1fr4 s LYS 172 CO 0.00 0.08 0.09 -1.54 0.51 0.00 0.00 175.35 174.49 1fr4 s SER 173 N -1.24 0.25 0.09 2.83 1.04 -1.26 -1.05 113.70 114.36 1fr4 s SER 173 Ca 0.50 -0.72 -0.09 0.00 0.48 0.00 0.00 55.95 56.13 1fr4 s SER 173 Cb -0.27 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.11 1fr4 s SER 173 CO 0.34 -0.61 0.20 0.00 0.98 0.00 0.00 173.24 174.14 1fr4 s ALA 174 N -3.45 -0.27 0.32 5.32 0.00 0.36 -4.91 121.76 119.14 1fr4 s ALA 174 Ca 0.02 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 1fr4 s ALA 174 Cb 0.04 0.48 -0.10 0.00 0.00 0.00 0.00 23.12 23.53 1fr4 s ALA 174 CO -0.08 -0.50 1.28 0.34 0.00 0.00 0.00 175.76 176.80 1fr4 s ASP 175 N -2.79 6.83 -0.34 0.00 -1.08 -1.26 -1.30 116.67 116.72 1fr4 s ASP 175 Ca 0.04 2.64 0.16 0.00 -0.52 0.00 0.00 52.55 54.87 1fr4 s ASP 175 Cb 0.04 -2.65 0.44 0.00 -1.46 0.00 0.00 42.92 39.30 1fr4 s ASP 175 CO -0.10 -0.49 1.10 0.33 0.52 0.00 0.00 175.17 176.52 1fr4 n PHE 176 N 0.86 0.06 -1.85 -5.34 7.35 -0.80 -4.71 117.46 113.02 1fr4 n PHE 176 Ca -0.00 -2.46 -0.30 0.00 -0.76 0.00 0.00 57.45 53.94 1fr4 n PHE 176 Cb 0.42 0.24 0.07 0.00 0.35 0.00 0.00 39.48 40.56 1fr4 n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1fr4 s THR 177 N -2.16 2.98 -1.47 -2.13 -4.23 -1.24 -3.96 115.64 103.43 1fr4 s THR 177 Ca 0.25 0.32 -0.07 0.00 -1.18 0.00 0.00 61.69 61.01 1fr4 s THR 177 Cb 0.43 -3.29 0.02 0.00 1.34 0.00 0.00 72.50 71.00 1fr4 s THR 177 CO -0.01 -0.42 0.84 0.59 -0.54 0.00 0.00 174.62 175.08 1fr4 n ASN 178 N -3.16 -5.97 -4.60 3.99 3.02 -1.26 -4.96 115.26 102.32 1fr4 n ASN 178 Ca 0.07 -0.42 -0.36 0.00 -0.03 0.00 0.00 54.58 53.84 1fr4 n ASN 178 Cb 0.58 -4.78 -0.10 0.00 -0.61 0.00 0.00 39.78 34.87 1fr4 n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1fr4 s PHE 179 N -3.22 3.23 -0.47 3.10 5.36 -1.26 -5.04 117.98 119.67 1fr4 s PHE 179 Ca 0.44 0.01 -0.17 0.00 -0.96 0.00 0.00 56.93 56.25 1fr4 s PHE 179 Cb -0.20 -2.20 0.05 0.00 -0.34 0.00 0.00 43.02 40.34 1fr4 s PHE 179 CO 0.54 -0.01 0.48 0.34 -1.46 0.00 0.00 175.22 175.11 1fr4 s ASP 180 N 0.97 6.18 0.41 6.13 -1.08 -1.26 -4.49 116.67 123.54 1fr4 s ASP 180 Ca 0.05 -1.00 0.29 0.00 -0.52 0.00 0.00 52.55 51.37 1fr4 s ASP 180 Cb -0.14 -2.23 1.41 0.00 -1.46 0.00 0.00 42.92 40.50 1fr4 s ASP 180 CO 0.03 -0.71 1.88 1.55 0.52 0.00 0.00 175.17 178.44 1fr4 h PRO 181 N 8.83 0.00 -0.05 4.34 0.13 -1.96 -2.46 132.00 140.82 1fr4 h PRO 181 Ca -0.28 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.87 1fr4 h PRO 181 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1fr4 h PRO 181 CO 0.88 0.00 0.06 0.00 -0.23 0.00 0.00 178.00 178.71 1fr4 h ARG 182 N 0.00 0.00 0.00 0.86 3.08 -1.92 -0.52 114.38 115.88 1fr4 h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1fr4 h ARG 182 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1fr4 h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1fr4 n GLY 183 N -1.34 -0.69 0.86 0.04 0.00 -0.93 -2.73 105.19 100.41 1fr4 n GLY 183 Ca -0.02 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 45.97 1fr4 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fr4 n LEU 184 N -1.02 2.86 -4.89 0.99 4.77 -0.20 -3.73 117.00 115.77 1fr4 n LEU 184 Ca 0.15 -1.26 -0.34 0.00 -0.03 0.00 0.00 56.01 54.53 1fr4 n LEU 184 Cb 0.08 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1fr4 n LEU 184 CO 0.12 0.57 -0.10 -0.76 -1.33 0.00 0.00 177.39 175.89 1fr4 s LEU 185 N -1.45 4.37 0.92 2.23 1.43 -1.11 -4.93 118.68 120.14 1fr4 s LEU 185 Ca 0.27 0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 53.71 1fr4 s LEU 185 Cb 0.17 -2.60 0.16 0.00 0.03 0.00 0.00 46.19 43.95 1fr4 s LEU 185 CO 0.25 0.27 1.26 -2.16 0.23 0.00 0.00 176.35 176.20 1fr4 s PRO 186 N -1.75 1.05 0.08 1.29 0.04 -1.26 -4.99 135.00 129.46 1fr4 s PRO 186 Ca 0.26 -0.20 -0.29 0.00 0.04 0.00 0.00 61.00 60.82 1fr4 s PRO 186 Cb -0.13 -1.87 -0.16 0.00 0.04 0.00 0.00 34.50 32.38 1fr4 s PRO 186 CO 0.16 -2.17 1.66 0.93 0.04 0.00 0.00 177.00 177.62 1fr4 h GLU 187 N -1.47 -0.56 -6.79 4.56 5.08 -1.92 -3.44 114.58 110.05 1fr4 h GLU 187 Ca -0.45 0.04 -0.48 0.00 -1.00 0.00 0.00 59.36 57.46 1fr4 h GLU 187 Cb 1.27 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 1fr4 h GLU 187 CO 0.48 -0.37 0.31 0.45 -1.00 0.00 0.00 179.01 178.88 1fr4 s SER 188 N -4.69 7.39 -0.05 1.42 0.15 -1.26 -4.98 113.70 111.68 1fr4 s SER 188 Ca -0.16 1.81 0.16 0.00 0.70 0.00 0.00 55.95 58.46 1fr4 s SER 188 Cb 0.05 -2.57 0.52 0.00 -1.71 0.00 0.00 66.02 62.31 1fr4 s SER 188 CO 0.64 0.02 1.44 0.18 1.20 0.00 0.00 173.24 176.71 1fr4 n LEU 189 N 0.88 3.75 -4.75 3.45 4.77 -1.26 -4.71 117.00 119.12 1fr4 n LEU 189 Ca -0.00 -2.24 -0.40 0.00 -0.03 0.00 0.00 56.01 53.34 1fr4 n LEU 189 Cb 0.49 -0.42 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1fr4 n LEU 189 CO 0.46 0.81 1.04 0.47 -1.33 0.00 0.00 177.39 178.83 1fr4 n ASP 190 N 0.81 3.22 -3.90 -1.43 8.00 -1.26 -4.88 116.55 117.09 1fr4 n ASP 190 Ca 0.19 1.13 -0.09 0.00 0.71 0.00 0.00 54.79 56.73 1fr4 n ASP 190 Cb 0.65 -1.58 -0.05 0.00 -0.02 0.00 0.00 41.12 40.12 1fr4 n ASP 190 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1fr4 s TYR 191 N -1.18 0.32 0.10 1.24 -0.85 -1.26 -1.28 117.35 114.43 1fr4 s TYR 191 Ca 0.60 -0.70 0.09 0.00 -0.52 0.00 0.00 57.07 56.54 1fr4 s TYR 191 Cb -0.46 0.26 -0.04 0.00 0.38 0.00 0.00 41.96 42.10 1fr4 s TYR 191 CO 0.58 -1.05 -0.18 -1.58 -1.52 0.00 0.00 175.55 171.80 1fr4 s TRP 192 N -3.89 2.53 -0.02 -3.49 0.51 -0.18 -1.14 118.94 113.26 1fr4 s TRP 192 Ca 0.21 -0.27 -0.05 0.00 -2.12 0.00 0.00 56.10 53.87 1fr4 s TRP 192 Cb -0.01 -1.37 0.00 0.00 -0.81 0.00 0.00 33.47 31.28 1fr4 s TRP 192 CO 0.09 0.35 0.12 -0.08 -0.51 0.00 0.00 176.95 176.92 1fr4 s THR 193 N -1.09 0.05 0.02 2.01 -1.32 0.29 -0.97 115.64 114.62 1fr4 s THR 193 Ca 0.17 -0.39 -0.28 0.00 -1.21 0.00 0.00 61.69 59.98 1fr4 s THR 193 Cb -0.11 -0.30 0.09 0.00 -1.51 0.00 0.00 72.50 70.67 1fr4 s THR 193 CO 0.09 -0.22 0.77 -0.72 -2.21 0.00 0.00 174.62 172.33 1fr4 s TYR 194 N -0.71 -0.48 -0.04 9.09 1.13 -1.03 -1.16 117.35 124.15 1fr4 s TYR 194 Ca -0.08 0.51 -0.30 0.00 -1.41 0.00 0.00 57.07 55.79 1fr4 s TYR 194 Cb -0.05 0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 41.29 1fr4 s TYR 194 CO 0.01 -0.63 1.04 -1.25 -2.51 0.00 0.00 175.55 172.21 1fr4 s PRO 195 N -2.62 4.47 0.00 -3.49 0.04 -1.26 -1.37 135.00 130.77 1fr4 s PRO 195 Ca -0.01 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1fr4 s PRO 195 Cb -0.01 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1fr4 s PRO 195 CO -0.05 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1fr4 n GLY 196 N 3.07 4.75 3.38 0.56 0.00 0.69 -4.81 105.19 112.84 1fr4 n GLY 196 Ca 0.08 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 1fr4 n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fr4 s SER 197 N 1.32 2.07 0.54 1.61 1.04 -1.09 -2.30 113.70 116.89 1fr4 s SER 197 Ca 0.00 -1.70 -0.19 0.00 0.48 0.00 0.00 55.95 54.54 1fr4 s SER 197 Cb 0.00 0.52 -0.06 0.00 0.10 0.00 0.00 66.02 66.58 1fr4 s SER 197 CO 0.00 -0.99 1.11 -0.76 0.98 0.00 0.00 173.24 173.58 1fr4 s LEU 198 N -3.46 3.74 0.00 2.42 1.43 -0.22 -4.46 118.68 118.12 1fr4 s LEU 198 Ca 0.33 2.11 0.23 0.00 -1.03 0.00 0.00 54.13 55.77 1fr4 s LEU 198 Cb 0.03 -4.57 0.55 0.00 0.03 0.00 0.00 46.19 42.23 1fr4 s LEU 198 CO 0.21 -1.16 1.48 0.35 0.23 0.00 0.00 176.35 177.46 1fr4 n THR 199 N -1.32 0.78 -4.16 5.49 -2.24 -1.26 -4.43 114.28 107.13 1fr4 n THR 199 Ca 0.11 -0.89 -0.14 0.00 -2.27 0.00 0.00 64.05 60.86 1fr4 n THR 199 Cb 0.51 0.72 -0.11 0.00 -2.10 0.00 0.00 70.33 69.36 1fr4 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1fr4 s THR 200 N -1.22 0.86 0.50 4.28 -4.23 -1.26 -4.71 115.64 109.85 1fr4 s THR 200 Ca 0.45 -1.60 -0.20 0.00 -1.18 0.00 0.00 61.69 59.16 1fr4 s THR 200 Cb 0.25 -1.30 -0.10 0.00 1.34 0.00 0.00 72.50 72.69 1fr4 s THR 200 CO 0.33 -0.57 0.63 -2.65 -0.54 0.00 0.00 174.62 171.82 1fr4 n PRO 201 N 0.61 0.69 0.00 3.99 -0.02 -1.26 -0.35 135.00 138.66 1fr4 n PRO 201 Ca -0.17 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.66 1fr4 n PRO 201 Cb 0.58 -1.71 0.52 0.00 -0.02 0.00 0.00 33.50 32.86 1fr4 n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1fr4 n PRO 202 N 0.15 0.68 -2.48 0.52 -0.04 -1.26 -4.98 135.00 127.59 1fr4 n PRO 202 Ca 0.11 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.38 1fr4 n PRO 202 Cb 0.43 -1.40 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 1fr4 n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1fr4 n LEU 203 N -0.90 -1.81 -4.74 1.53 4.77 0.53 -4.89 117.00 111.49 1fr4 n LEU 203 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 1fr4 n LEU 203 Cb 0.06 -2.74 -0.02 0.00 -2.33 0.00 0.00 43.42 38.39 1fr4 n LEU 203 CO 0.10 -0.15 1.28 -0.76 -1.33 0.00 0.00 177.39 176.52 1fr4 s LEU 204 N -6.00 4.35 -1.31 2.23 1.43 -1.26 -4.34 118.68 113.78 1fr4 s LEU 204 Ca 0.03 2.90 -0.12 0.00 -1.03 0.00 0.00 54.13 55.91 1fr4 s LEU 204 Cb -0.02 -3.62 0.13 0.00 0.03 0.00 0.00 46.19 42.71 1fr4 s LEU 204 CO 0.04 -0.92 1.86 -0.62 0.23 0.00 0.00 176.35 176.94 1fr4 n GLU 205 N 2.81 3.34 -0.07 1.70 1.02 -1.26 -1.06 120.64 127.12 1fr4 n GLU 205 Ca 0.11 -3.34 0.02 0.00 -0.02 0.00 0.00 57.16 53.93 1fr4 n GLU 205 Cb 0.37 -3.10 0.03 0.00 -0.02 0.00 0.00 31.44 28.72 1fr4 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fr4 s VAL 207 N -1.14 2.06 -0.34 0.00 0.11 -0.97 -0.32 120.40 119.79 1fr4 s VAL 207 Ca 0.08 -1.26 -0.15 0.00 -2.93 0.00 0.00 61.98 57.72 1fr4 s VAL 207 Cb 0.07 -1.75 -0.01 0.00 -1.53 0.00 0.00 36.38 33.16 1fr4 s VAL 207 CO 0.01 0.44 0.34 -0.89 -3.33 0.00 0.00 175.10 171.67 1fr4 s THR 208 N -0.72 5.19 -0.00 5.04 2.01 0.14 -0.22 115.64 127.07 1fr4 s THR 208 Ca 0.11 -0.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.89 1fr4 s THR 208 Cb -0.10 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1fr4 s THR 208 CO 0.01 -0.09 0.61 0.26 -0.69 0.00 0.00 174.62 174.72 1fr4 s TRP 209 N 1.97 3.68 -0.29 4.92 0.52 -0.47 -2.17 118.94 127.10 1fr4 s TRP 209 Ca 0.11 1.22 -0.00 0.00 0.02 0.00 0.00 56.10 57.45 1fr4 s TRP 209 Cb -0.17 -2.63 0.09 0.00 -1.15 0.00 0.00 33.47 29.62 1fr4 s TRP 209 CO 0.11 0.34 0.07 0.42 0.02 0.00 0.00 176.95 177.91 1fr4 s ILE 210 N -0.15 1.15 -0.32 2.03 1.01 -0.61 -2.48 121.20 121.83 1fr4 s ILE 210 Ca 0.32 -1.45 -0.09 0.00 0.00 0.00 0.00 60.65 59.42 1fr4 s ILE 210 Cb -0.18 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.50 1fr4 s ILE 210 CO 0.18 -0.55 0.15 -0.69 0.00 0.00 0.00 174.94 174.03 1fr4 s VAL 211 N 1.50 4.50 0.29 2.92 1.01 -0.14 -0.59 120.40 129.89 1fr4 s VAL 211 Ca 0.07 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 1fr4 s VAL 211 Cb -0.18 -3.35 -0.10 0.00 0.00 0.00 0.00 36.38 32.75 1fr4 s VAL 211 CO -0.19 -0.00 1.39 -0.76 0.00 0.00 0.00 175.10 175.54 1fr4 s LEU 212 N 1.58 4.40 0.17 3.92 1.43 -0.35 -1.01 118.68 128.82 1fr4 s LEU 212 Ca 0.04 2.70 -0.08 0.00 -1.03 0.00 0.00 54.13 55.75 1fr4 s LEU 212 Cb -0.18 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.45 1fr4 s LEU 212 CO 0.06 -0.64 1.54 0.50 0.23 0.00 0.00 176.35 178.03 1fr4 h LYS 213 N 4.19 0.90 -5.57 1.70 3.64 -1.53 -3.43 116.57 116.47 1fr4 h LYS 213 Ca -0.48 -0.42 -0.62 0.00 -1.27 0.00 0.00 60.65 57.86 1fr4 h LYS 213 Cb 1.22 -0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.91 1fr4 h LYS 213 CO 0.71 1.07 0.21 -2.00 -2.27 0.00 0.00 179.45 177.18 1fr4 s GLU 214 N -4.51 3.73 0.61 1.90 2.12 -1.26 -5.02 118.70 116.27 1fr4 s GLU 214 Ca -0.10 0.16 -0.14 0.00 0.36 0.00 0.00 54.97 55.25 1fr4 s GLU 214 Cb 0.12 -3.80 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 1fr4 s GLU 214 CO 0.87 -0.75 1.04 -1.25 -0.54 0.00 0.00 175.26 174.63 1fr4 s PRO 215 N 2.81 3.35 0.39 4.30 0.04 -1.26 -4.66 135.00 139.98 1fr4 s PRO 215 Ca 0.27 1.03 0.01 0.00 0.04 0.00 0.00 61.00 62.34 1fr4 s PRO 215 Cb -0.14 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1fr4 s PRO 215 CO 0.15 -0.77 0.60 0.96 0.04 0.00 0.00 177.00 177.98 1fr4 s ILE 216 N -2.75 4.64 0.16 0.56 -4.36 0.04 -4.88 121.20 114.61 1fr4 s ILE 216 Ca 0.60 -0.48 0.04 0.00 -0.26 0.00 0.00 60.65 60.55 1fr4 s ILE 216 Cb -0.14 -3.70 -0.04 0.00 1.25 0.00 0.00 42.46 39.84 1fr4 s ILE 216 CO 0.43 -0.47 0.21 -0.44 0.24 0.00 0.00 174.94 174.92 1fr4 s SER 217 N -4.11 5.93 0.01 4.36 0.01 -1.25 -1.22 113.70 117.43 1fr4 s SER 217 Ca 0.44 0.02 -0.03 0.00 1.31 0.00 0.00 55.95 57.69 1fr4 s SER 217 Cb -0.10 -1.68 -0.01 0.00 0.21 0.00 0.00 66.02 64.44 1fr4 s SER 217 CO 0.37 0.06 0.04 0.68 0.41 0.00 0.00 173.24 174.79 1fr4 s VAL 218 N -1.76 0.10 0.69 3.43 -7.23 -0.65 -4.02 120.40 110.97 1fr4 s VAL 218 Ca 0.33 -0.84 -0.11 0.00 -1.81 0.00 0.00 61.98 59.54 1fr4 s VAL 218 Cb -0.10 -0.36 0.01 0.00 0.56 0.00 0.00 36.38 36.48 1fr4 s VAL 218 CO 0.26 -0.46 1.07 -0.94 -0.31 0.00 0.00 175.10 174.71 1fr4 s SER 219 N -1.47 5.51 0.28 4.85 1.04 -1.24 0.81 113.70 123.48 1fr4 s SER 219 Ca -0.15 1.37 -0.03 0.00 0.48 0.00 0.00 55.95 57.61 1fr4 s SER 219 Cb -0.09 -2.25 0.38 0.00 0.10 0.00 0.00 66.02 64.17 1fr4 s SER 219 CO -0.00 -1.33 1.95 0.28 0.98 0.00 0.00 173.24 175.12 1fr4 h SER 220 N -0.64 1.02 -0.41 7.02 0.02 -1.96 -1.44 113.55 117.17 1fr4 h SER 220 Ca -0.45 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 1fr4 h SER 220 Cb 1.23 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1fr4 h SER 220 CO 0.61 0.73 0.22 -0.33 -1.14 0.00 0.00 176.83 176.92 1fr4 h GLU 221 N 1.21 0.58 -0.09 3.45 3.07 -1.96 -0.74 114.58 120.09 1fr4 h GLU 221 Ca 0.34 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1fr4 h GLU 221 Cb -0.10 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.69 1fr4 h GLU 221 CO -0.08 0.48 0.06 1.96 -1.40 0.00 0.00 179.01 180.02 1fr4 h GLN 222 N 0.53 0.12 -0.94 2.33 4.20 -1.77 -2.07 115.11 117.51 1fr4 h GLN 222 Ca 0.14 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.88 1fr4 h GLN 222 Cb 0.08 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.78 1fr4 h GLN 222 CO -0.02 0.09 0.61 0.28 -0.67 0.00 0.00 178.83 179.12 1fr4 h VAL 223 N 0.11 1.18 -0.71 -0.54 2.07 -1.07 -1.26 116.25 116.03 1fr4 h VAL 223 Ca 0.03 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1fr4 h VAL 223 Cb -0.00 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.60 1fr4 h VAL 223 CO -0.01 0.22 0.44 -0.07 0.02 0.00 0.00 177.57 178.17 1fr4 h LEU 224 N 1.20 0.84 -0.80 2.57 3.38 -0.85 -2.45 115.31 119.21 1fr4 h LEU 224 Ca 0.37 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.18 1fr4 h LEU 224 Cb -0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1fr4 h LEU 224 CO -0.11 0.65 -0.30 0.11 0.09 0.00 0.00 178.44 178.87 1fr4 h LYS 225 N 0.97 0.55 0.00 1.13 1.57 -0.77 -2.33 116.57 117.69 1fr4 h LYS 225 Ca 0.26 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1fr4 h LYS 225 Cb -0.05 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1fr4 h LYS 225 CO -0.05 0.79 0.00 1.19 -0.57 0.00 0.00 179.45 180.81 1fr4 n PHE 226 N -4.08 0.00 0.27 -1.35 0.99 -0.53 -1.70 117.46 111.05 1fr4 n PHE 226 Ca -0.01 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.55 1fr4 n PHE 226 Cb 0.45 -0.45 0.19 0.00 -1.00 0.00 0.00 39.48 38.66 1fr4 n PHE 226 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1fr4 n ARG 227 N -1.45 2.34 -0.00 -1.08 1.74 -0.88 -4.38 116.66 112.95 1fr4 n ARG 227 Ca 0.04 -2.15 0.13 0.00 -0.77 0.00 0.00 57.85 55.10 1fr4 n ARG 227 Cb 0.15 -1.46 0.30 0.00 -1.02 0.00 0.00 32.46 30.43 1fr4 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1fr4 n LYS 228 N 1.30 2.02 -1.53 5.56 5.02 -0.69 -4.49 118.16 125.35 1fr4 n LYS 228 Ca 0.17 -1.48 -0.30 0.00 -2.02 0.00 0.00 58.31 54.68 1fr4 n LYS 228 Cb 0.55 -1.47 0.10 0.00 -0.02 0.00 0.00 35.03 34.19 1fr4 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fr4 s LEU 229 N -2.00 2.52 0.09 -0.35 1.43 -1.26 -4.87 118.68 114.24 1fr4 s LEU 229 Ca 0.33 1.28 0.09 0.00 -1.03 0.00 0.00 54.13 54.80 1fr4 s LEU 229 Cb 0.20 -3.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1fr4 s LEU 229 CO 0.32 -2.07 -0.23 0.20 0.23 0.00 0.00 176.35 174.80 1fr4 s ASN 230 N -3.89 3.55 0.02 2.29 0.02 0.17 0.09 114.94 117.18 1fr4 s ASN 230 Ca 0.61 -0.60 -0.11 0.00 -1.02 0.00 0.00 52.86 51.74 1fr4 s ASN 230 Cb -0.15 -0.40 -0.32 0.00 0.02 0.00 0.00 41.25 40.40 1fr4 s ASN 230 CO 0.54 0.21 0.93 -0.26 0.02 0.00 0.00 177.10 178.54 1fr4 h PHE 231 N 4.14 0.76 -4.10 2.20 0.04 -1.02 -3.35 116.94 115.61 1fr4 h PHE 231 Ca -0.49 -0.56 -0.47 0.00 2.80 0.00 0.00 57.97 59.26 1fr4 h PHE 231 Cb 1.16 -0.03 0.14 0.00 2.20 0.00 0.00 35.95 39.42 1fr4 h PHE 231 CO 0.56 1.52 0.26 0.54 -0.60 0.00 0.00 178.31 180.59 1fr4 s ASN 232 N -7.36 3.37 0.38 2.17 4.22 -1.26 -4.34 114.94 112.12 1fr4 s ASN 232 Ca -0.10 1.17 -0.04 0.00 -2.14 0.00 0.00 52.86 51.75 1fr4 s ASN 232 Cb 0.05 -1.81 -0.04 0.00 1.28 0.00 0.00 41.25 40.73 1fr4 s ASN 232 CO 0.90 -2.66 0.65 -0.83 -2.04 0.00 0.00 177.10 173.11 1fr4 s GLY 233 N -3.73 1.60 0.22 0.45 0.00 -1.26 -0.58 107.32 104.02 1fr4 s GLY 233 Ca 0.64 -0.61 -0.32 0.00 0.00 0.00 0.00 44.72 44.43 1fr4 s GLY 233 CO 0.55 -0.49 1.53 -2.21 0.00 0.00 0.00 173.10 172.49 1fr4 n GLU 234 N -1.62 2.28 0.00 2.90 2.13 -1.26 -1.76 120.64 123.30 1fr4 n GLU 234 Ca -0.01 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1fr4 n GLU 234 Cb 0.55 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.70 1fr4 n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fr4 n GLY 235 N 2.77 2.58 3.97 8.31 0.00 -1.26 -5.06 105.19 116.51 1fr4 n GLY 235 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 1fr4 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fr4 s GLU 236 N -0.94 2.92 0.15 1.61 2.02 -0.72 -5.02 118.70 118.72 1fr4 s GLU 236 Ca 0.00 -0.78 -0.34 0.00 0.02 0.00 0.00 54.97 53.87 1fr4 s GLU 236 Cb 0.00 -2.63 -0.14 0.00 0.10 0.00 0.00 34.13 31.46 1fr4 s GLU 236 CO 0.00 -0.30 1.56 -2.30 0.02 0.00 0.00 175.26 174.25 1fr4 n PRO 237 N -2.01 2.09 -1.95 0.39 -0.02 -1.26 -4.86 135.00 127.37 1fr4 n PRO 237 Ca 0.03 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 1fr4 n PRO 237 Cb 0.58 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1fr4 n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1fr4 s GLU 238 N 0.90 4.19 -0.26 -0.52 2.12 -1.26 -4.76 118.70 119.12 1fr4 s GLU 238 Ca 0.79 2.28 0.01 0.00 0.36 0.00 0.00 54.97 58.41 1fr4 s GLU 238 Cb -0.70 -3.80 0.07 0.00 0.26 0.00 0.00 34.13 29.96 1fr4 s GLU 238 CO 0.38 -0.79 -0.01 -1.21 -0.54 0.00 0.00 175.26 173.09 1fr4 s GLU 239 N 3.34 1.42 0.28 4.30 2.02 -1.26 -5.05 118.70 123.75 1fr4 s GLU 239 Ca 0.74 -1.09 -0.30 0.00 0.02 0.00 0.00 54.97 54.34 1fr4 s GLU 239 Cb -0.37 -2.56 -0.12 0.00 0.10 0.00 0.00 34.13 31.18 1fr4 s GLU 239 CO 0.32 -0.70 1.50 1.28 0.02 0.00 0.00 175.26 177.67 1fr4 n LEU 240 N 4.66 3.80 -4.29 1.80 4.77 -1.26 -0.46 117.00 126.02 1fr4 n LEU 240 Ca -0.08 1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 56.62 1fr4 n LEU 240 Cb 0.44 -1.52 -0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1fr4 n LEU 240 CO 0.17 -0.15 2.22 0.80 -1.33 0.00 0.00 177.39 179.10 1fr4 n MET 241 N 1.97 3.06 -4.23 3.23 0.00 0.11 -4.60 117.12 116.68 1fr4 n MET 241 Ca 0.09 -3.04 -0.18 0.00 -0.00 0.00 0.00 57.70 54.57 1fr4 n MET 241 Cb 0.35 -3.43 -0.11 0.00 0.00 0.00 0.00 33.22 30.02 1fr4 n MET 241 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1fr4 s VAL 242 N 3.92 1.31 -1.26 1.12 -7.23 -1.26 -4.73 120.40 112.27 1fr4 s VAL 242 Ca 0.52 -1.62 -0.08 0.00 -1.81 0.00 0.00 61.98 58.99 1fr4 s VAL 242 Cb 0.07 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.59 1fr4 s VAL 242 CO 0.02 -0.35 1.10 0.47 -0.31 0.00 0.00 175.10 176.03 1fr4 n ASP 243 N 0.72 -5.70 -3.12 4.85 8.00 0.10 -4.87 116.55 116.53 1fr4 n ASP 243 Ca -0.17 -0.51 -0.36 0.00 0.71 0.00 0.00 54.79 54.46 1fr4 n ASP 243 Cb 0.56 -4.76 -0.02 0.00 -0.02 0.00 0.00 41.12 36.88 1fr4 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1fr4 n ASN 244 N -2.76 7.41 -4.24 -2.24 6.94 -1.15 -4.91 115.26 114.30 1fr4 n ASN 244 Ca -0.02 -3.25 -0.21 0.00 -0.02 0.00 0.00 54.58 51.08 1fr4 n ASN 244 Cb 0.57 -1.28 -0.12 0.00 -2.36 0.00 0.00 39.78 36.58 1fr4 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1fr4 s TRP 245 N -1.79 1.54 -0.11 -2.53 1.48 -1.26 -4.62 118.94 111.65 1fr4 s TRP 245 Ca 0.54 -0.46 -0.12 0.00 -1.06 0.00 0.00 56.10 55.00 1fr4 s TRP 245 Cb 0.27 -0.84 -0.05 0.00 -1.16 0.00 0.00 33.47 31.69 1fr4 s TRP 245 CO -0.16 0.16 0.29 0.50 -4.06 0.00 0.00 176.95 173.68 1fr4 s ARG 246 N -2.04 3.98 0.91 3.25 3.52 -1.26 -4.97 118.95 122.33 1fr4 s ARG 246 Ca 0.05 0.13 -0.12 0.00 -0.13 0.00 0.00 55.73 55.66 1fr4 s ARG 246 Cb -0.09 -3.32 0.13 0.00 -1.56 0.00 0.00 34.95 30.12 1fr4 s ARG 246 CO 0.04 0.49 1.11 -1.25 -0.81 0.00 0.00 175.30 174.87 1fr4 s PRO 247 N -0.30 1.18 0.38 5.12 0.04 -1.26 -4.63 135.00 135.53 1fr4 s PRO 247 Ca 0.18 0.55 -0.27 0.00 0.04 0.00 0.00 61.00 61.50 1fr4 s PRO 247 Cb -0.14 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.47 1fr4 s PRO 247 CO 0.06 -2.23 1.36 0.00 0.04 0.00 0.00 177.00 176.24 1fr4 n ALA 248 N -3.83 1.70 -2.63 8.56 0.00 -1.26 -4.29 120.51 118.76 1fr4 n ALA 248 Ca 0.06 0.32 -0.22 0.00 0.00 0.00 0.00 53.44 53.60 1fr4 n ALA 248 Cb 0.57 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 1fr4 n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1fr4 s GLN 249 N -2.09 2.61 0.15 0.00 -1.52 0.16 -4.94 119.66 114.03 1fr4 s GLN 249 Ca 0.57 -1.31 -0.31 0.00 -1.95 0.00 0.00 55.36 52.35 1fr4 s GLN 249 Cb -0.51 -2.36 -0.11 0.00 -0.22 0.00 0.00 33.01 29.81 1fr4 s GLN 249 CO 0.61 0.25 1.78 -2.14 -0.25 0.00 0.00 175.29 175.54 1fr4 s PRO 250 N -3.85 4.14 0.46 2.91 0.02 -1.26 -4.58 135.00 132.84 1fr4 s PRO 250 Ca 0.36 2.58 0.21 0.00 0.02 0.00 0.00 61.00 64.17 1fr4 s PRO 250 Cb -0.06 -3.44 1.14 0.00 0.02 0.00 0.00 34.50 32.17 1fr4 s PRO 250 CO 0.24 -0.81 1.97 1.25 -0.33 0.00 0.00 177.00 179.32 1fr4 h LEU 251 N 8.06 0.00 0.00 -5.54 5.85 -1.93 -3.43 115.31 118.32 1fr4 h LEU 251 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1fr4 h LEU 251 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1fr4 h LEU 251 CO 0.95 0.20 0.00 0.29 -0.34 0.00 0.00 178.44 179.54 1fr4 n LYS 252 N -3.83 0.00 -2.63 1.25 4.76 -1.26 -2.77 118.16 113.68 1fr4 n LYS 252 Ca -0.02 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.07 1fr4 n LYS 252 Cb 0.30 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.49 1fr4 n LYS 252 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1fr4 n ASN 253 N 4.26 6.19 -4.56 4.39 4.13 -1.26 -4.98 115.26 123.42 1fr4 n ASN 253 Ca 0.00 -3.71 -0.30 0.00 1.68 0.00 0.00 54.58 52.25 1fr4 n ASN 253 Cb 0.00 -0.89 -0.10 0.00 -1.54 0.00 0.00 39.78 37.25 1fr4 n ASN 253 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1fr4 s ARG 254 N -3.94 2.10 -0.14 3.52 0.52 -1.11 -5.12 118.95 114.77 1fr4 s ARG 254 Ca 0.45 -1.03 -0.01 0.00 -0.52 0.00 0.00 55.73 54.62 1fr4 s ARG 254 Cb 0.27 -2.29 -0.01 0.00 0.52 0.00 0.00 34.95 33.44 1fr4 s ARG 254 CO -0.18 0.51 -0.11 -1.14 0.02 0.00 0.00 175.30 174.40 1fr4 s GLN 255 N -2.12 3.41 -0.22 3.54 0.74 -1.26 -5.04 119.66 118.70 1fr4 s GLN 255 Ca 0.20 -0.66 -0.17 0.00 0.05 0.00 0.00 55.36 54.78 1fr4 s GLN 255 Cb -0.11 -2.70 -0.03 0.00 1.10 0.00 0.00 33.01 31.27 1fr4 s GLN 255 CO 0.13 0.17 0.47 0.42 -0.55 0.00 0.00 175.29 175.92 1fr4 s ILE 256 N 0.48 5.13 0.03 -2.34 1.01 -1.26 -4.67 121.20 119.58 1fr4 s ILE 256 Ca -0.08 0.83 0.01 0.00 0.00 0.00 0.00 60.65 61.41 1fr4 s ILE 256 Cb -0.16 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1fr4 s ILE 256 CO 0.04 0.18 0.10 -0.54 0.00 0.00 0.00 174.94 174.72 1fr4 s LYS 257 N 1.68 3.04 0.02 2.79 3.01 -0.31 -0.73 119.74 129.25 1fr4 s LYS 257 Ca 0.21 -0.55 0.03 0.00 -1.01 0.00 0.00 55.97 54.65 1fr4 s LYS 257 Cb -0.15 -2.83 -0.04 0.00 -1.01 0.00 0.00 37.83 33.80 1fr4 s LYS 257 CO 0.09 0.61 -0.02 0.00 0.51 0.00 0.00 175.35 176.54 1fr4 s ALA 258 N -1.31 3.20 -2.65 5.17 0.00 0.11 -0.55 121.76 125.73 1fr4 s ALA 258 Ca 0.27 -1.01 0.26 0.00 0.00 0.00 0.00 51.96 51.47 1fr4 s ALA 258 Cb -0.12 -1.24 0.68 0.00 0.00 0.00 0.00 23.12 22.44 1fr4 s ALA 258 CO 0.19 0.65 1.53 -1.13 0.00 0.00 0.00 175.76 177.00 1fr4 n SER 259 N 1.25 2.17 -4.04 0.00 3.41 -0.29 -0.44 113.62 115.68 1fr4 n SER 259 Ca -0.14 -1.73 -0.08 0.00 -0.26 0.00 0.00 58.87 56.67 1fr4 n SER 259 Cb 0.52 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 1fr4 n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1fr4 s PHE 260 N -1.94 0.43 -2.40 7.33 -0.71 -1.26 -4.88 117.98 114.55 1fr4 s PHE 260 Ca 0.34 -0.93 0.19 0.00 -1.04 0.00 0.00 56.93 55.49 1fr4 s PHE 260 Cb 0.20 -0.31 0.15 0.00 -1.21 0.00 0.00 43.02 41.85 1fr4 s PHE 260 CO 0.31 -0.39 1.11 1.63 -1.34 0.00 0.00 175.22 176.54