#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fg1 n ALA 0 N 0.00 2.51 0.00 5.20 0.00 -1.26 -5.18 120.51 121.78 2fg1 n ALA 0 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2fg1 n ALA 0 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2fg1 n ALA 0 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2fg1 n GLU 2 N -0.25 0.00 -1.76 0.00 2.13 -1.26 -5.15 120.64 114.35 2fg1 n GLU 2 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.41 2fg1 n GLU 2 Cb 0.12 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.82 2fg1 n GLU 2 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2fg1 s ILE 3 N -1.52 2.04 -0.21 6.31 1.01 -1.26 -4.65 121.20 122.92 2fg1 s ILE 3 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 2fg1 s ILE 3 Cb 0.00 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 2fg1 s ILE 3 CO 0.00 0.01 0.14 -0.22 0.00 0.00 0.00 174.94 174.87 2fg1 s LEU 4 N -0.41 4.19 -0.16 2.97 2.96 -0.31 -5.01 118.68 122.90 2fg1 s LEU 4 Ca 0.64 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.74 2fg1 s LEU 4 Cb -0.48 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.09 2fg1 s LEU 4 CO 0.47 0.15 -0.07 -0.31 -1.32 0.00 0.00 176.35 175.27 2fg1 s TYR 5 N 0.55 2.93 0.13 5.38 2.02 -1.26 -0.13 117.35 126.96 2fg1 s TYR 5 Ca 0.08 -0.60 -0.00 0.00 -0.37 0.00 0.00 57.07 56.18 2fg1 s TYR 5 Cb -0.12 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 2fg1 s TYR 5 CO -0.00 -0.24 0.03 0.96 -1.57 0.00 0.00 175.55 174.73 2fg1 s ILE 6 N 0.67 0.25 0.34 2.71 -4.36 -0.57 -4.98 121.20 115.27 2fg1 s ILE 6 Ca -0.04 -1.91 -0.27 0.00 -0.26 0.00 0.00 60.65 58.17 2fg1 s ILE 6 Cb -0.15 -1.98 -0.09 0.00 1.25 0.00 0.00 42.46 41.49 2fg1 s ILE 6 CO 0.02 -0.55 1.09 -0.54 0.24 0.00 0.00 174.94 175.20 2fg1 s LYS 7 N -4.00 4.37 0.00 0.37 1.02 -1.26 -0.39 119.74 119.85 2fg1 s LYS 7 Ca 0.21 1.70 0.00 0.00 0.02 0.00 0.00 55.97 57.90 2fg1 s LYS 7 Cb 0.07 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 2fg1 s LYS 7 CO 0.00 -0.00 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 2fg1 n GLY 8 N 0.78 0.59 2.97 -3.33 0.00 -0.54 -4.77 105.19 100.89 2fg1 n GLY 8 Ca 0.02 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 2fg1 n GLY 8 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2fg1 s ASP 9 N -4.00 2.56 0.38 1.61 -1.08 -1.26 -4.02 116.67 110.85 2fg1 s ASP 9 Ca 0.00 -0.46 0.27 0.00 -0.52 0.00 0.00 52.55 51.84 2fg1 s ASP 9 Cb 0.00 -1.04 1.33 0.00 -1.46 0.00 0.00 42.92 41.75 2fg1 s ASP 9 CO 0.00 -0.09 1.81 0.00 0.52 0.00 0.00 175.17 177.40 2fg1 h ALA 10 N 8.10 1.00 0.00 3.66 0.00 -1.96 0.94 119.26 130.99 2fg1 h ALA 10 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2fg1 h ALA 10 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2fg1 h ALA 10 CO 0.47 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.97 2fg1 n THR 11 N -2.44 0.07 -3.25 0.00 -2.24 -1.26 -3.62 114.28 101.54 2fg1 n THR 11 Ca -0.01 0.02 -0.26 0.00 -2.27 0.00 0.00 64.05 61.53 2fg1 n THR 11 Cb 0.11 -0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 67.72 2fg1 n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fg1 n ALA 12 N -1.29 4.02 -1.77 6.98 0.00 0.32 -5.11 120.51 123.66 2fg1 n ALA 12 Ca 0.13 -4.57 -0.37 0.00 0.00 0.00 0.00 53.44 48.63 2fg1 n ALA 12 Cb 0.23 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 2fg1 n ALA 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2fg1 s PRO 13 N -2.66 3.94 0.79 0.00 0.04 -1.24 -4.74 135.00 131.13 2fg1 s PRO 13 Ca 0.42 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 63.06 2fg1 s PRO 13 Cb 0.20 -2.50 0.07 0.00 0.04 0.00 0.00 34.50 32.30 2fg1 s PRO 13 CO -0.06 -0.39 1.16 0.96 0.04 0.00 0.00 177.00 178.72 2fg1 s ILE 14 N -1.55 2.31 0.00 0.56 -4.36 -1.26 -4.99 121.20 111.91 2fg1 s ILE 14 Ca 0.61 0.10 0.00 0.00 -0.26 0.00 0.00 60.65 61.10 2fg1 s ILE 14 Cb -0.27 -3.10 0.00 0.00 1.25 0.00 0.00 42.46 40.34 2fg1 s ILE 14 CO 0.33 -0.13 0.00 0.61 0.24 0.00 0.00 174.94 175.99 2fg1 n GLY 15 N -3.25 -1.60 3.62 6.27 0.00 -1.26 -5.00 105.19 103.97 2fg1 n GLY 15 Ca 0.08 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 2fg1 n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fg1 s SER 16 N -4.00 3.38 0.04 1.61 1.04 -1.26 -5.10 113.70 109.41 2fg1 s SER 16 Ca 0.00 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 54.78 2fg1 s SER 16 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2fg1 s SER 16 CO 0.00 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.96 2fg1 n GLY 17 N -1.06 -2.06 3.74 7.32 0.00 -1.26 -4.83 105.19 107.05 2fg1 n GLY 17 Ca -0.11 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 2fg1 n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fg1 s VAL 18 N 0.00 3.96 0.02 1.61 1.01 -1.26 -4.89 120.40 120.85 2fg1 s VAL 18 Ca 0.00 1.75 0.04 0.00 0.00 0.00 0.00 61.98 63.77 2fg1 s VAL 18 Cb 0.00 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 2fg1 s VAL 18 CO 0.00 0.33 -0.13 -0.54 0.00 0.00 0.00 175.10 174.75 2fg1 s LYS 19 N -0.55 0.95 -0.16 2.72 1.02 0.62 -1.32 119.74 123.03 2fg1 s LYS 19 Ca 0.47 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.85 2fg1 s LYS 19 Cb -0.28 -0.94 0.02 0.00 -0.52 0.00 0.00 37.83 36.11 2fg1 s LYS 19 CO 0.34 0.24 -0.15 0.08 -0.92 0.00 0.00 175.35 174.94 2fg1 s VAL 20 N -0.61 1.69 -0.26 3.17 1.01 0.23 -0.86 120.40 124.76 2fg1 s VAL 20 Ca 0.03 -0.73 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 2fg1 s VAL 20 Cb -0.07 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 2fg1 s VAL 20 CO 0.00 0.46 0.60 -0.63 0.00 0.00 0.00 175.10 175.53 2fg1 s ILE 21 N 1.44 5.00 -0.11 2.22 1.01 0.39 -0.93 121.20 130.21 2fg1 s ILE 21 Ca 0.05 1.04 -0.02 0.00 0.00 0.00 0.00 60.65 61.71 2fg1 s ILE 21 Cb -0.13 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 2fg1 s ILE 21 CO -0.11 0.03 -0.03 0.42 0.00 0.00 0.00 174.94 175.24 2fg1 s THR 22 N 2.46 3.98 0.12 2.92 -4.23 -0.44 -0.15 115.64 120.31 2fg1 s THR 22 Ca 0.25 -0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.29 2fg1 s THR 22 Cb -0.15 -2.69 0.01 0.00 1.34 0.00 0.00 72.50 71.00 2fg1 s THR 22 CO 0.09 0.55 0.29 -1.38 -0.54 0.00 0.00 174.62 173.63 2fg1 s HIS 23 N -0.32 0.08 -0.25 3.99 -3.43 -1.05 -4.38 115.29 109.92 2fg1 s HIS 23 Ca 0.06 -0.46 -0.13 0.00 -0.80 0.00 0.00 55.06 53.72 2fg1 s HIS 23 Cb -0.12 0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 31.04 2fg1 s HIS 23 CO 0.02 -0.65 0.30 0.42 -2.00 0.00 0.00 174.74 172.84 2fg1 s ILE 24 N -3.87 5.24 0.22 -5.38 1.01 -1.26 -4.59 121.20 112.57 2fg1 s ILE 24 Ca 0.07 0.45 0.06 0.00 0.00 0.00 0.00 60.65 61.22 2fg1 s ILE 24 Cb 0.03 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 2fg1 s ILE 24 CO -0.09 0.23 0.25 0.00 0.00 0.00 0.00 174.94 175.33 2fg1 s ASN 26 N -3.71 5.16 -0.15 0.00 2.20 -1.26 -1.46 114.94 115.72 2fg1 s ASN 26 Ca 0.33 0.24 0.14 0.00 -0.94 0.00 0.00 52.86 52.62 2fg1 s ASN 26 Cb -0.09 -1.07 0.67 0.00 -2.00 0.00 0.00 41.25 38.77 2fg1 s ASN 26 CO 0.26 -1.28 1.55 -0.90 -2.94 0.00 0.00 177.10 173.79 2fg1 n ASP 27 N -2.56 4.66 -0.06 3.54 5.68 -0.87 -4.12 116.55 122.82 2fg1 n ASP 27 Ca 0.07 -2.60 0.01 0.00 -0.50 0.00 0.00 54.79 51.76 2fg1 n ASP 27 Cb 0.60 -0.60 0.01 0.00 -1.14 0.00 0.00 41.12 39.98 2fg1 n ASP 27 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 2fg1 n ILE 28 N 0.74 0.72 -0.84 2.12 -5.35 -1.26 -4.89 119.36 110.60 2fg1 n ILE 28 Ca 0.23 -0.86 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 2fg1 n ILE 28 Cb 0.94 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 2fg1 n ILE 28 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fg1 n GLY 29 N -0.27 0.56 3.73 3.28 0.00 -1.26 -5.03 105.19 106.19 2fg1 n GLY 29 Ca 0.01 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2fg1 n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fg1 s GLY 30 N -2.16 2.90 -0.37 -0.02 0.00 -1.26 -4.94 107.32 101.47 2fg1 s GLY 30 Ca 0.00 0.67 0.03 0.00 0.00 0.00 0.00 44.72 45.41 2fg1 s GLY 30 CO 0.00 1.58 0.35 0.86 0.00 0.00 0.00 173.10 175.90 2fg1 s TRP 31 N 0.10 -0.11 0.00 1.90 -0.11 -1.26 -4.62 118.94 114.84 2fg1 s TRP 31 Ca 0.49 -0.99 0.00 0.00 1.22 0.00 0.00 56.10 56.82 2fg1 s TRP 31 Cb -0.25 -0.49 0.00 0.00 -1.50 0.00 0.00 33.47 31.22 2fg1 s TRP 31 CO 0.31 -0.95 0.00 0.41 -4.62 0.00 0.00 176.95 172.10 2fg1 n GLY 32 N 4.17 0.93 2.87 5.86 0.00 -1.26 -5.01 105.19 112.74 2fg1 n GLY 32 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 2fg1 n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fg1 s LYS 33 N 0.00 0.22 4.68 1.61 1.02 -1.26 -4.91 119.74 121.09 2fg1 s LYS 33 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 55.97 55.97 2fg1 s LYS 33 Cb 0.00 -0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.02 2fg1 s LYS 33 CO 0.00 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.82 2fg1 n GLY 34 N 3.47 0.31 0.33 -3.33 0.00 -1.26 -4.05 105.19 100.66 2fg1 n GLY 34 Ca -0.18 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.06 2fg1 n GLY 34 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2fg1 h PHE 35 N 0.00 0.44 -0.26 1.61 3.57 -1.99 -1.18 116.94 119.13 2fg1 h PHE 35 Ca 0.00 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.59 2fg1 h PHE 35 Cb 0.00 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2fg1 h PHE 35 CO 0.00 0.24 0.20 -0.39 -2.23 0.00 0.00 178.31 176.14 2fg1 h VAL 36 N 0.44 0.78 -0.28 1.41 -1.51 -1.97 -0.31 116.25 114.82 2fg1 h VAL 36 Ca 0.20 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 65.52 2fg1 h VAL 36 Cb 0.22 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 30.23 2fg1 h VAL 36 CO -0.05 0.00 -0.44 -0.07 -1.23 0.00 0.00 177.57 175.78 2fg1 h LEU 37 N 0.00 0.75 -0.59 4.19 3.38 -1.46 -1.10 115.31 120.47 2fg1 h LEU 37 Ca 0.12 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 2fg1 h LEU 37 Cb 0.53 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2fg1 h LEU 37 CO -0.00 1.08 0.13 0.00 0.09 0.00 0.00 178.44 179.73 2fg1 h ALA 38 N 0.95 0.78 -0.01 1.53 0.00 -1.17 -2.09 119.26 119.24 2fg1 h ALA 38 Ca 0.04 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2fg1 h ALA 38 Cb 0.98 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2fg1 h ALA 38 CO 0.09 0.50 -0.01 -0.07 0.00 0.00 0.00 179.25 179.76 2fg1 h LEU 39 N 0.86 -0.04 -1.30 0.00 3.38 -1.14 -3.08 115.31 113.99 2fg1 h LEU 39 Ca 0.18 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2fg1 h LEU 39 Cb 0.37 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2fg1 h LEU 39 CO 0.01 -0.02 -0.19 0.28 0.09 0.00 0.00 178.44 178.61 2fg1 h SER 40 N -0.02 0.00 0.80 -0.43 0.02 -1.10 0.04 113.55 112.86 2fg1 h SER 40 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2fg1 h SER 40 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2fg1 h SER 40 CO -0.03 0.19 0.00 0.11 -1.14 0.00 0.00 176.83 175.96 2fg1 h LYS 41 N 0.00 0.00 0.00 3.45 1.57 -1.28 -3.31 116.57 116.99 2fg1 h LYS 41 Ca -0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 2fg1 h LYS 41 Cb 0.65 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 2fg1 h LYS 41 CO 0.02 0.00 -2.05 1.63 -0.57 0.00 0.00 179.45 178.48 2fg1 n LYS 42 N -2.76 0.41 -4.32 3.15 5.02 -0.72 -5.04 118.16 113.90 2fg1 n LYS 42 Ca 0.01 0.16 -0.20 0.00 -2.02 0.00 0.00 58.31 56.26 2fg1 n LYS 42 Cb 0.25 -1.22 -0.16 0.00 -0.02 0.00 0.00 35.03 33.88 2fg1 n LYS 42 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2fg1 s TRP 43 N -2.35 0.88 -0.64 2.13 0.51 -0.08 -5.14 118.94 114.24 2fg1 s TRP 43 Ca -0.26 -0.23 -0.06 0.00 -2.12 0.00 0.00 56.10 53.43 2fg1 s TRP 43 Cb 0.09 -0.66 -0.08 0.00 -0.81 0.00 0.00 33.47 32.02 2fg1 s TRP 43 CO 0.35 -0.12 3.06 1.63 -0.51 0.00 0.00 176.95 181.36 2fg1 n LYS 44 N 3.49 2.85 0.00 4.98 4.76 -1.26 -3.92 118.16 129.05 2fg1 n LYS 44 Ca -0.20 -2.01 0.00 0.00 -2.87 0.00 0.00 58.31 53.23 2fg1 n LYS 44 Cb 0.54 -2.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 2fg1 n LYS 44 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2fg1 n PRO 46 N 2.09 0.00 -0.05 1.97 -0.02 -1.26 -1.84 135.00 135.89 2fg1 n PRO 46 Ca 0.54 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.92 2fg1 n PRO 46 Cb 0.58 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.02 2fg1 n PRO 46 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2fg1 h GLU 47 N 0.00 0.29 -0.61 -0.52 4.81 -1.96 -1.51 114.58 115.08 2fg1 h GLU 47 Ca 0.00 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 2fg1 h GLU 47 Cb 0.00 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 2fg1 h GLU 47 CO 0.00 0.32 0.16 1.49 -0.73 0.00 0.00 179.01 180.25 2fg1 h GLU 48 N 0.19 0.97 -0.64 1.92 4.57 -1.74 0.17 114.58 120.02 2fg1 h GLU 48 Ca 0.07 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 2fg1 h GLU 48 Cb 0.13 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 2fg1 h GLU 48 CO -0.01 0.88 0.35 0.00 -1.18 0.00 0.00 179.01 179.06 2fg1 h ALA 49 N 1.05 0.82 -0.38 2.92 0.00 -1.80 -1.08 119.26 120.78 2fg1 h ALA 49 Ca 0.19 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2fg1 h ALA 49 Cb 0.34 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2fg1 h ALA 49 CO 0.00 0.33 0.09 -0.92 0.00 0.00 0.00 179.25 178.75 2fg1 h TYR 50 N 0.87 0.65 -0.48 0.00 3.20 -0.81 -0.17 116.97 120.23 2fg1 h TYR 50 Ca 0.22 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 2fg1 h TYR 50 Cb 0.04 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 2fg1 h TYR 50 CO -0.01 0.64 0.02 0.00 -1.64 0.00 0.00 178.16 177.17 2fg1 h ARG 51 N 0.48 0.79 -0.45 1.82 3.08 -0.79 -0.23 114.38 119.06 2fg1 h ARG 51 Ca 0.12 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 2fg1 h ARG 51 Cb 0.32 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2fg1 h ARG 51 CO 0.00 0.78 -0.18 1.96 -1.07 0.00 0.00 179.97 181.46 2fg1 h GLN 52 N 0.74 0.89 -0.48 0.04 4.20 -1.06 -2.51 115.11 116.93 2fg1 h GLN 52 Ca 0.15 -0.35 0.02 0.00 0.06 0.00 0.00 58.65 58.52 2fg1 h GLN 52 Cb 0.42 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2fg1 h GLN 52 CO 0.02 1.00 0.30 2.35 -0.67 0.00 0.00 178.83 181.82 2fg1 h TRP 53 N 0.78 0.56 -0.52 2.96 7.01 -0.46 -0.80 115.95 125.49 2fg1 h TRP 53 Ca 0.11 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.18 2fg1 h TRP 53 Cb 0.72 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.55 2fg1 h TRP 53 CO 0.04 0.34 0.24 -0.92 -2.79 0.00 0.00 178.44 175.34 2fg1 h TYR 54 N 0.60 0.43 -0.12 2.65 3.20 -0.88 -1.98 116.97 120.88 2fg1 h TYR 54 Ca 0.19 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 2fg1 h TYR 54 Cb -0.02 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 2fg1 h TYR 54 CO -0.06 0.19 -0.39 0.87 -1.64 0.00 0.00 178.16 177.13 2fg1 h LYS 55 N 0.46 0.25 -0.10 1.82 1.57 -1.11 -2.96 116.57 116.49 2fg1 h LYS 55 Ca 0.24 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2fg1 h LYS 55 Cb 0.19 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2fg1 h LYS 55 CO -0.19 0.61 -0.36 0.66 -0.57 0.00 0.00 179.45 179.59 2fg1 h SER 56 N 0.21 0.21 -3.75 0.86 4.64 -0.57 -3.46 113.55 111.68 2fg1 h SER 56 Ca 0.02 -0.08 -0.26 0.00 -0.47 0.00 0.00 61.79 61.00 2fg1 h SER 56 Cb 0.79 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 2fg1 h SER 56 CO 0.06 0.56 -0.34 0.00 -0.87 0.00 0.00 176.83 176.25 2fg1 n GLN 57 N -4.07 -2.18 -3.01 4.77 1.13 -0.80 -4.93 117.38 108.29 2fg1 n GLN 57 Ca -0.01 0.63 -0.43 0.00 -1.94 0.00 0.00 57.00 55.25 2fg1 n GLN 57 Cb 0.44 -5.24 -0.05 0.00 0.11 0.00 0.00 30.24 25.49 2fg1 n GLN 57 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2fg1 s GLU 58 N -5.03 3.23 -1.58 -1.09 2.56 -1.26 -4.29 118.70 111.24 2fg1 s GLU 58 Ca 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 54.97 54.29 2fg1 s GLU 58 Cb 0.00 -4.07 0.09 0.00 2.00 0.00 0.00 34.13 32.15 2fg1 s GLU 58 CO 0.00 -1.33 0.61 0.39 -0.56 0.00 0.00 175.26 174.37 2fg1 n GLU 59 N 6.75 -3.16 -2.79 4.30 1.02 -1.26 -4.86 120.64 120.64 2fg1 n GLU 59 Ca -0.03 0.38 -0.43 0.00 -0.02 0.00 0.00 57.16 57.06 2fg1 n GLU 59 Cb 0.46 -4.81 0.00 0.00 -0.02 0.00 0.00 31.44 27.08 2fg1 n GLU 59 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2fg1 n PHE 60 N -4.41 3.88 -4.09 -0.32 7.35 -1.26 -4.80 117.46 113.81 2fg1 n PHE 60 Ca -0.09 -3.11 -0.11 0.00 -0.76 0.00 0.00 57.45 53.37 2fg1 n PHE 60 Cb 0.58 -1.90 -0.11 0.00 0.35 0.00 0.00 39.48 38.40 2fg1 n PHE 60 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2fg1 s THR 61 N 0.11 0.50 0.13 -2.13 -4.23 -1.26 -5.04 115.64 103.72 2fg1 s THR 61 Ca 0.38 -1.42 -0.35 0.00 -1.18 0.00 0.00 61.69 59.12 2fg1 s THR 61 Cb 0.02 -1.02 -0.15 0.00 1.34 0.00 0.00 72.50 72.69 2fg1 s THR 61 CO 0.01 -0.63 1.48 0.18 -0.54 0.00 0.00 174.62 175.12 2fg1 n LEU 62 N 0.84 2.49 0.00 4.79 4.77 -1.26 -1.45 117.00 127.18 2fg1 n LEU 62 Ca -0.18 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.89 2fg1 n LEU 62 Cb 0.57 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 2fg1 n LEU 62 CO 0.24 -0.61 0.00 0.61 -1.33 0.00 0.00 177.39 176.31 2fg1 n GLY 63 N 3.02 1.46 3.88 -0.72 0.00 0.08 -4.96 105.19 107.96 2fg1 n GLY 63 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2fg1 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fg1 s ALA 64 N -2.37 3.30 -0.00 4.61 0.00 -0.53 -3.16 121.76 123.61 2fg1 s ALA 64 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.74 2fg1 s ALA 64 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.36 2fg1 s ALA 64 CO 0.00 -0.19 -0.02 0.08 0.00 0.00 0.00 175.76 175.63 2fg1 s VAL 65 N -2.58 0.17 -0.14 0.00 1.01 -1.26 -1.15 120.40 116.45 2fg1 s VAL 65 Ca 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2fg1 s VAL 65 Cb -0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 2fg1 s VAL 65 CO 0.37 0.06 -0.14 -1.58 0.00 0.00 0.00 175.10 173.81 2fg1 s GLN 66 N 0.04 3.31 -0.18 2.72 0.74 -0.65 -4.98 119.66 120.66 2fg1 s GLN 66 Ca -0.00 -0.72 -0.07 0.00 0.05 0.00 0.00 55.36 54.63 2fg1 s GLN 66 Cb -0.02 -2.62 -0.04 0.00 1.10 0.00 0.00 33.01 31.43 2fg1 s GLN 66 CO -0.00 0.13 0.04 -0.06 -0.55 0.00 0.00 175.29 174.85 2fg1 s PHE 67 N 0.55 3.20 -0.13 1.67 0.08 -1.26 -0.54 117.98 121.55 2fg1 s PHE 67 Ca -0.09 -0.00 -0.00 0.00 0.12 0.00 0.00 56.93 56.95 2fg1 s PHE 67 Cb -0.16 -2.05 0.03 0.00 -0.57 0.00 0.00 43.02 40.26 2fg1 s PHE 67 CO 0.04 0.11 -0.09 0.08 -0.10 0.00 0.00 175.22 175.26 2fg1 s VAL 68 N 0.37 1.19 0.14 -0.44 1.01 0.01 -4.97 120.40 117.71 2fg1 s VAL 68 Ca 0.02 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 2fg1 s VAL 68 Cb -0.13 -1.18 -0.07 0.00 0.00 0.00 0.00 36.38 35.00 2fg1 s VAL 68 CO 0.01 0.38 1.21 0.21 0.00 0.00 0.00 175.10 176.91 2fg1 s ASN 69 N 1.64 7.06 -0.03 3.32 2.47 -1.26 -0.53 114.94 127.61 2fg1 s ASN 69 Ca 0.05 2.18 0.01 0.00 0.42 0.00 0.00 52.86 55.52 2fg1 s ASN 69 Cb -0.13 -2.60 -0.03 0.00 -1.45 0.00 0.00 41.25 37.05 2fg1 s ASN 69 CO -0.09 -0.42 -0.01 1.33 -3.72 0.00 0.00 177.10 174.19 2fg1 n VAL 70 N 3.02 0.19 -4.16 -5.21 0.24 -0.19 -4.93 118.33 107.30 2fg1 n VAL 70 Ca 0.06 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.34 62.16 2fg1 n VAL 70 Cb 0.45 -0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 31.92 2fg1 n VAL 70 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2fg1 s GLU 71 N -2.07 0.98 0.25 7.34 0.41 -1.08 -5.03 118.70 119.51 2fg1 s GLU 71 Ca -0.03 -1.47 -0.31 0.00 -0.41 0.00 0.00 54.97 52.75 2fg1 s GLU 71 Cb 0.01 0.25 -0.13 0.00 -1.78 0.00 0.00 34.13 32.48 2fg1 s GLU 71 CO 0.10 -0.29 1.51 0.27 -0.49 0.00 0.00 175.26 176.36 2fg1 n ASN 72 N -0.13 3.24 -0.73 -0.19 6.94 -1.26 -1.04 115.26 122.09 2fg1 n ASN 72 Ca -0.04 1.13 -0.09 0.00 -0.02 0.00 0.00 54.58 55.56 2fg1 n ASN 72 Cb 0.64 -1.49 -0.04 0.00 -2.36 0.00 0.00 39.78 36.53 2fg1 n ASN 72 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2fg1 n LYS 73 N 2.31 -1.73 -4.11 -3.83 5.02 -1.26 -4.94 118.16 109.61 2fg1 n LYS 73 Ca 0.11 0.78 -0.27 0.00 -2.02 0.00 0.00 58.31 56.92 2fg1 n LYS 73 Cb 0.33 -5.14 -0.17 0.00 -0.02 0.00 0.00 35.03 30.03 2fg1 n LYS 73 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2fg1 s LEU 74 N -2.14 1.41 0.18 -0.35 2.96 -0.20 -0.27 118.68 120.27 2fg1 s LEU 74 Ca 0.00 -0.34 0.10 0.00 -0.22 0.00 0.00 54.13 53.66 2fg1 s LEU 74 Cb 0.00 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 2fg1 s LEU 74 CO 0.00 -0.06 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.45 2fg1 s TYR 75 N 1.39 2.05 -0.10 5.38 2.02 -0.04 -1.02 117.35 127.04 2fg1 s TYR 75 Ca -0.00 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.31 2fg1 s TYR 75 Cb -0.13 -1.02 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 2fg1 s TYR 75 CO -0.06 0.42 -0.19 0.08 -1.57 0.00 0.00 175.55 174.24 2fg1 s VAL 76 N -1.87 2.59 -0.38 0.71 1.01 0.31 -0.46 120.40 122.31 2fg1 s VAL 76 Ca 0.18 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 2fg1 s VAL 76 Cb -0.07 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.31 2fg1 s VAL 76 CO 0.08 0.55 0.22 0.00 0.00 0.00 0.00 175.10 175.95 2fg1 s ALA 77 N 0.11 3.30 0.69 5.51 0.00 0.78 -0.81 121.76 131.35 2fg1 s ALA 77 Ca -0.09 -1.72 -0.07 0.00 0.00 0.00 0.00 51.96 50.08 2fg1 s ALA 77 Cb -0.15 -2.63 0.05 0.00 0.00 0.00 0.00 23.12 20.39 2fg1 s ALA 77 CO 0.06 -1.39 1.01 -0.80 0.00 0.00 0.00 175.76 174.63 2fg1 s ASN 78 N 1.57 4.93 -0.29 0.00 0.01 0.30 -2.52 114.94 118.94 2fg1 s ASN 78 Ca 0.02 0.54 -0.02 0.00 -0.71 0.00 0.00 52.86 52.69 2fg1 s ASN 78 Cb -0.19 -1.23 0.12 0.00 0.41 0.00 0.00 41.25 40.36 2fg1 s ASN 78 CO 0.07 -1.53 0.24 -0.63 -1.51 0.00 0.00 177.10 173.74 2fg1 s ILE 80 N -3.24 -0.30 0.00 0.60 1.01 -0.30 -1.64 121.20 117.33 2fg1 s ILE 80 Ca 0.59 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2fg1 s ILE 80 Cb -0.11 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.40 2fg1 s ILE 80 CO 0.45 -0.53 0.62 0.61 0.00 0.00 0.00 174.94 176.10 2fg1 n GLY 81 N 5.29 -0.47 2.94 6.18 0.00 -0.54 -0.74 105.19 117.86 2fg1 n GLY 81 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 2fg1 n GLY 81 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2fg1 s GLN 82 N -0.34 0.22 -0.35 1.61 -2.07 -1.10 -1.63 119.66 116.00 2fg1 s GLN 82 Ca 0.00 -0.33 -0.15 0.00 -1.82 0.00 0.00 55.36 53.05 2fg1 s GLN 82 Cb 0.00 -0.03 -0.01 0.00 -1.09 0.00 0.00 33.01 31.88 2fg1 s GLN 82 CO 0.00 -0.00 0.35 -1.58 -1.32 0.00 0.00 175.29 172.74 2fg1 s HIS 83 N -0.72 3.21 0.00 9.60 5.65 0.38 -2.06 115.29 131.35 2fg1 s HIS 83 Ca -0.07 -0.10 0.00 0.00 0.25 0.00 0.00 55.06 55.14 2fg1 s HIS 83 Cb -0.05 -2.67 0.00 0.00 -1.18 0.00 0.00 32.58 28.68 2fg1 s HIS 83 CO -0.00 -0.46 0.00 0.41 -0.65 0.00 0.00 174.74 174.04 2fg1 n GLY 84 N 5.00 -1.31 0.00 1.59 0.00 -1.26 -4.42 105.19 104.79 2fg1 n GLY 84 Ca -0.09 -1.16 0.01 0.00 0.00 0.00 0.00 46.02 44.77 2fg1 n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2fg1 n ILE 85 N -1.08 0.00 -4.43 -0.61 -5.35 -1.26 -4.65 119.36 101.98 2fg1 n ILE 85 Ca 0.00 -0.33 -0.22 0.00 -0.27 0.00 0.00 62.75 61.93 2fg1 n ILE 85 Cb 0.00 0.83 -0.10 0.00 -1.74 0.00 0.00 39.64 38.63 2fg1 n ILE 85 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2fg1 s TYR 86 N -1.42 2.00 0.65 4.28 2.02 -1.26 -4.90 117.35 118.71 2fg1 s TYR 86 Ca 0.00 -0.60 -0.17 0.00 -0.37 0.00 0.00 57.07 55.93 2fg1 s TYR 86 Cb 0.01 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 2fg1 s TYR 86 CO 0.05 0.39 0.86 1.63 -1.57 0.00 0.00 175.55 176.91 2fg1 n LYS 87 N -0.57 0.67 -1.19 -0.62 5.02 -1.26 -4.45 118.16 115.75 2fg1 n LYS 87 Ca -0.06 0.27 -0.20 0.00 -2.02 0.00 0.00 58.31 56.30 2fg1 n LYS 87 Cb 0.62 -2.09 0.14 0.00 -0.02 0.00 0.00 35.03 33.68 2fg1 n LYS 87 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2fg1 n ASP 88 N -0.85 -0.21 -0.03 4.39 3.85 -0.32 -4.86 116.55 118.53 2fg1 n ASP 88 Ca 0.13 -1.27 0.11 0.00 -0.71 0.00 0.00 54.79 53.05 2fg1 n ASP 88 Cb 0.48 -0.68 0.51 0.00 -1.35 0.00 0.00 41.12 40.08 2fg1 n ASP 88 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 2fg1 h SER 89 N -1.33 0.34 -0.57 -1.12 4.64 -1.95 -0.49 113.55 113.07 2fg1 h SER 89 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2fg1 h SER 89 Cb 0.81 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2fg1 h SER 89 CO 0.20 0.21 0.00 2.29 -0.87 0.00 0.00 176.83 178.67 2fg1 n LYS 90 N -4.47 2.37 -0.75 4.77 2.85 -1.26 -4.93 118.16 116.75 2fg1 n LYS 90 Ca 0.07 -2.06 0.00 0.00 -1.05 0.00 0.00 58.31 55.27 2fg1 n LYS 90 Cb 0.30 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 2fg1 n LYS 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2fg1 n GLY 91 N 1.38 0.63 3.67 2.58 0.00 -0.19 -5.02 105.19 108.24 2fg1 n GLY 91 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2fg1 n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fg1 s LEU 92 N 0.00 4.26 0.79 0.99 2.96 -1.26 -4.73 118.68 121.70 2fg1 s LEU 92 Ca 0.00 1.94 -0.13 0.00 -0.22 0.00 0.00 54.13 55.71 2fg1 s LEU 92 Cb 0.00 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 43.22 2fg1 s LEU 92 CO 0.00 -0.75 1.18 -2.84 -1.32 0.00 0.00 176.35 172.62 2fg1 s PRO 93 N 3.08 1.79 0.48 0.98 0.02 -1.26 -1.17 135.00 138.92 2fg1 s PRO 93 Ca 0.61 1.66 0.16 0.00 0.02 0.00 0.00 61.00 63.45 2fg1 s PRO 93 Cb -0.27 -1.80 1.17 0.00 0.02 0.00 0.00 34.50 33.62 2fg1 s PRO 93 CO 0.22 -2.08 2.05 -1.35 -0.33 0.00 0.00 177.00 175.51 2fg1 h PRO 94 N -0.86 0.19 -6.62 5.54 0.11 -1.75 -3.45 132.00 125.16 2fg1 h PRO 94 Ca -0.46 -0.01 -0.58 0.00 0.11 0.00 0.00 66.00 65.06 2fg1 h PRO 94 Cb 1.28 -0.04 0.10 0.00 0.11 0.00 0.00 31.00 32.45 2fg1 h PRO 94 CO 0.47 0.13 0.46 1.51 -0.21 0.00 0.00 178.00 180.36 2fg1 n ILE 95 N -4.47 1.55 -3.89 4.15 0.13 -0.39 -0.47 119.36 115.97 2fg1 n ILE 95 Ca 0.05 -0.39 -0.30 0.00 -1.10 0.00 0.00 62.75 61.00 2fg1 n ILE 95 Cb 0.29 -1.39 -0.15 0.00 -0.84 0.00 0.00 39.64 37.55 2fg1 n ILE 95 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 2fg1 s ARG 96 N -1.19 1.20 0.25 9.51 1.81 -0.64 -4.82 118.95 125.06 2fg1 s ARG 96 Ca 0.62 -1.36 -0.05 0.00 -1.72 0.00 0.00 55.73 53.22 2fg1 s ARG 96 Cb -0.64 -2.59 0.28 0.00 -0.45 0.00 0.00 34.95 31.56 2fg1 s ARG 96 CO 0.57 -0.89 1.84 1.88 -0.68 0.00 0.00 175.30 178.02 2fg1 h TYR 97 N 7.88 1.10 -0.73 -0.53 0.05 -1.94 -1.02 116.97 121.78 2fg1 h TYR 97 Ca -0.11 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.55 2fg1 h TYR 97 Cb 1.03 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 38.40 2fg1 h TYR 97 CO 0.43 0.81 0.22 0.38 -1.05 0.00 0.00 178.16 178.94 2fg1 h ASP 98 N 1.08 1.06 -0.35 3.88 2.03 -1.95 -0.72 116.42 121.45 2fg1 h ASP 98 Ca 0.26 -0.20 -0.02 0.00 -0.73 0.00 0.00 57.03 56.34 2fg1 h ASP 98 Cb 0.14 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 38.35 2fg1 h ASP 98 CO -0.03 0.99 0.15 0.00 -1.03 0.00 0.00 179.24 179.32 2fg1 h ALA 99 N 1.15 0.46 -0.75 4.15 0.00 -1.75 -1.04 119.26 121.48 2fg1 h ALA 99 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2fg1 h ALA 99 Cb 0.31 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2fg1 h ALA 99 CO -0.01 0.05 0.48 0.28 0.00 0.00 0.00 179.25 180.06 2fg1 h VAL 100 N 0.42 1.20 -0.50 0.00 2.07 -0.95 0.06 116.25 118.55 2fg1 h VAL 100 Ca 0.12 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.27 2fg1 h VAL 100 Cb 0.17 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 2fg1 h VAL 100 CO -0.01 0.19 0.33 -0.09 0.02 0.00 0.00 177.57 178.01 2fg1 h ARG 101 N 1.01 0.65 -0.73 1.57 2.43 -0.90 0.12 114.38 118.54 2fg1 h ARG 101 Ca 0.27 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2fg1 h ARG 101 Cb -0.10 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.27 2fg1 h ARG 101 CO -0.06 0.43 0.45 0.37 -1.51 0.00 0.00 179.97 179.66 2fg1 h GLN 102 N 0.67 0.98 -0.53 0.20 4.15 -0.64 -0.12 115.11 119.81 2fg1 h GLN 102 Ca 0.19 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.56 2fg1 h GLN 102 Cb -0.07 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.38 2fg1 h GLN 102 CO -0.05 0.68 0.31 0.00 -1.93 0.00 0.00 178.83 177.84 2fg1 h LEU 104 N 0.62 0.00 -0.87 0.00 3.38 -0.21 -0.78 115.31 117.45 2fg1 h LEU 104 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2fg1 h LEU 104 Cb 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2fg1 h LEU 104 CO -0.10 0.35 0.55 0.11 0.09 0.00 0.00 178.44 179.43 2fg1 h LYS 105 N 0.00 1.17 -0.28 1.13 1.57 -0.63 0.15 116.57 119.67 2fg1 h LYS 105 Ca -0.00 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.50 2fg1 h LYS 105 Cb 0.65 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2fg1 h LYS 105 CO 0.05 0.80 -0.54 1.49 -0.57 0.00 0.00 179.45 180.68 2fg1 h GLU 106 N 1.19 0.84 -0.84 3.15 4.81 -1.07 -2.74 114.58 119.92 2fg1 h GLU 106 Ca 0.32 -0.52 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2fg1 h GLU 106 Cb -0.08 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 2fg1 h GLU 106 CO -0.06 1.16 0.51 0.28 -0.73 0.00 0.00 179.01 180.16 2fg1 h VAL 107 N 0.64 1.23 -0.36 0.32 2.07 -0.91 -1.62 116.25 117.63 2fg1 h VAL 107 Ca 0.02 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.06 2fg1 h VAL 107 Cb 1.14 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2fg1 h VAL 107 CO 0.12 0.24 0.20 0.00 0.02 0.00 0.00 177.57 178.14 2fg1 h ALA 108 N 1.41 0.45 -0.50 1.67 0.00 -0.51 0.96 119.26 122.73 2fg1 h ALA 108 Ca 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2fg1 h ALA 108 Cb -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2fg1 h ALA 108 CO -0.06 -0.16 0.21 -0.07 0.00 0.00 0.00 179.25 179.17 2fg1 h LEU 109 N 0.40 0.69 -0.32 0.00 3.38 -1.19 -1.03 115.31 117.24 2fg1 h LEU 109 Ca 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2fg1 h LEU 109 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2fg1 h LEU 109 CO -0.09 0.66 0.12 0.15 0.09 0.00 0.00 178.44 179.38 2fg1 h PHE 110 N 0.67 0.49 -0.50 1.13 3.57 -1.00 -1.51 116.94 119.79 2fg1 h PHE 110 Ca 0.17 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 2fg1 h PHE 110 Cb 0.18 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2fg1 h PHE 110 CO 0.00 0.48 0.11 1.15 -2.23 0.00 0.00 178.31 177.82 2fg1 h THR 111 N 0.36 1.24 -0.24 4.41 2.02 -0.72 -1.22 112.91 118.76 2fg1 h THR 111 Ca 0.11 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 66.43 2fg1 h THR 111 Cb 0.20 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2fg1 h THR 111 CO -0.01 0.31 0.14 0.40 0.37 0.00 0.00 175.52 176.74 2fg1 h ILE 112 N 0.70 1.03 -0.56 3.11 2.04 -1.08 0.55 117.51 123.30 2fg1 h ILE 112 Ca 0.16 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 2fg1 h ILE 112 Cb 0.35 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2fg1 h ILE 112 CO 0.00 0.05 0.25 0.00 0.00 0.00 0.00 178.15 178.45 2fg1 h ALA 113 N 1.11 1.38 -0.06 1.87 0.00 -0.97 -2.52 119.26 120.07 2fg1 h ALA 113 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2fg1 h ALA 113 Cb -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2fg1 h ALA 113 CO -0.04 0.48 0.00 0.72 0.00 0.00 0.00 179.25 180.40 2fg1 n HIS 114 N -4.35 0.06 -3.84 0.00 8.25 -0.49 -4.95 115.22 109.90 2fg1 n HIS 114 Ca 0.05 -0.03 -0.27 0.00 -0.26 0.00 0.00 57.72 57.21 2fg1 n HIS 114 Cb 0.15 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.28 2fg1 n HIS 114 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2fg1 n LYS 115 N 0.67 -5.41 -3.60 -0.41 5.02 -0.03 -4.73 118.16 109.66 2fg1 n LYS 115 Ca 0.17 0.61 -0.20 0.00 -2.02 0.00 0.00 58.31 56.87 2fg1 n LYS 115 Cb 0.45 -5.40 -0.02 0.00 -0.02 0.00 0.00 35.03 30.04 2fg1 n LYS 115 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fg1 s ALA 116 N -3.42 4.07 0.30 7.82 0.00 -0.02 -4.42 121.76 126.09 2fg1 s ALA 116 Ca 0.45 -1.58 0.09 0.00 0.00 0.00 0.00 51.96 50.92 2fg1 s ALA 116 Cb -0.23 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 2fg1 s ALA 116 CO 0.82 -0.04 0.07 -1.54 0.00 0.00 0.00 175.76 175.08 2fg1 s SER 117 N -4.10 4.64 -0.07 0.00 1.04 -0.43 -4.63 113.70 110.15 2fg1 s SER 117 Ca 0.44 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 56.18 2fg1 s SER 117 Cb -0.08 -0.81 -0.03 0.00 0.10 0.00 0.00 66.02 65.21 2fg1 s SER 117 CO 0.29 -0.15 -0.08 -0.69 0.98 0.00 0.00 173.24 173.59 2fg1 s VAL 118 N -2.37 3.60 0.05 5.02 1.01 -0.05 -0.60 120.40 127.06 2fg1 s VAL 118 Ca 0.34 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2fg1 s VAL 118 Cb -0.04 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2fg1 s VAL 118 CO 0.21 0.60 -0.09 -1.00 0.00 0.00 0.00 175.10 174.82 2fg1 s HIS 119 N -0.78 0.77 0.46 5.22 3.76 -0.11 -1.00 115.29 123.61 2fg1 s HIS 119 Ca 0.12 -0.50 -0.04 0.00 -0.15 0.00 0.00 55.06 54.50 2fg1 s HIS 119 Cb -0.11 -0.46 0.10 0.00 1.11 0.00 0.00 32.58 33.22 2fg1 s HIS 119 CO 0.01 -0.06 0.63 -0.35 -0.85 0.00 0.00 174.74 174.12 2fg1 n PRO 121 N 1.41 -0.16 -1.99 8.40 -0.04 -1.26 -1.33 135.00 140.04 2fg1 n PRO 121 Ca -0.22 -1.36 -0.34 0.00 -0.04 0.00 0.00 63.50 61.53 2fg1 n PRO 121 Cb 0.55 -0.52 -0.05 0.00 -0.04 0.00 0.00 33.50 33.44 2fg1 n PRO 121 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2fg1 n ARG 122 N -2.24 1.96 -1.64 0.54 3.00 -1.26 -4.66 116.66 112.37 2fg1 n ARG 122 Ca 0.09 -2.53 -0.48 0.00 -0.00 0.00 0.00 57.85 54.93 2fg1 n ARG 122 Cb 0.32 -3.52 -0.04 0.00 0.00 0.00 0.00 32.46 29.22 2fg1 n ARG 122 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2fg1 n ILE 123 N 7.08 0.23 0.00 5.15 5.41 -1.26 -2.07 119.36 133.90 2fg1 n ILE 123 Ca 0.47 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 64.16 2fg1 n ILE 123 Cb 0.45 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.15 2fg1 n ILE 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2fg1 n GLY 124 N 2.80 2.80 3.77 7.39 0.00 -1.26 -4.94 105.19 115.75 2fg1 n GLY 124 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2fg1 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fg1 n GLY 126 N 0.51 0.87 0.21 0.00 0.00 -1.26 -4.44 105.19 101.08 2fg1 n GLY 126 Ca 0.08 -1.28 0.06 0.00 0.00 0.00 0.00 46.02 44.88 2fg1 n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2fg1 h LEU 127 N 0.00 0.00 -1.93 0.99 3.38 -1.98 -1.73 115.31 114.04 2fg1 h LEU 127 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2fg1 h LEU 127 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2fg1 h LEU 127 CO 0.00 0.29 -0.09 0.00 0.09 0.00 0.00 178.44 178.74 2fg1 h ALA 128 N 1.71 1.16 0.00 1.53 0.00 -1.78 -3.43 119.26 118.46 2fg1 h ALA 128 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2fg1 h ALA 128 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2fg1 h ALA 128 CO 0.04 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.81 2fg1 n GLY 129 N -0.54 0.54 3.77 0.00 0.00 -0.65 -1.26 105.19 107.05 2fg1 n GLY 129 Ca -0.01 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 2fg1 n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fg1 s GLY 130 N -2.55 2.83 -0.25 -0.02 0.00 0.87 -4.91 107.32 103.29 2fg1 s GLY 130 Ca 0.00 0.92 -0.13 0.00 0.00 0.00 0.00 44.72 45.51 2fg1 s GLY 130 CO 0.00 1.41 0.27 1.25 0.00 0.00 0.00 173.10 176.03 2fg1 s LYS 131 N -2.39 4.04 0.34 2.90 2.20 -1.26 -4.42 119.74 121.14 2fg1 s LYS 131 Ca 0.58 -0.12 0.02 0.00 -0.36 0.00 0.00 55.97 56.09 2fg1 s LYS 131 Cb -0.29 -3.61 0.62 0.00 -1.51 0.00 0.00 37.83 33.05 2fg1 s LYS 131 CO 0.36 -0.12 1.97 2.35 -0.36 0.00 0.00 175.35 179.55 2fg1 h TRP 132 N 7.92 0.87 -0.30 4.03 2.91 -1.95 -2.66 115.95 126.77 2fg1 h TRP 132 Ca -0.35 0.02 0.07 0.00 1.13 0.00 0.00 58.89 59.76 2fg1 h TRP 132 Cb 1.17 -0.29 -0.07 0.00 -0.51 0.00 0.00 29.16 29.47 2fg1 h TRP 132 CO 0.72 0.50 -0.14 1.49 -1.03 0.00 0.00 178.44 179.99 2fg1 h GLU 133 N 0.90 -0.09 -0.88 2.65 4.81 -2.01 0.23 114.58 120.18 2fg1 h GLU 133 Ca 0.30 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2fg1 h GLU 133 Cb 0.07 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2fg1 h GLU 133 CO -0.09 -0.06 0.00 1.28 -0.73 0.00 0.00 179.01 179.41 2fg1 n LEU 134 N -5.31 0.67 0.00 1.64 4.32 -1.00 -2.62 117.00 114.70 2fg1 n LEU 134 Ca 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 56.01 55.66 2fg1 n LEU 134 Cb 0.23 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 41.84 2fg1 n LEU 134 CO 0.17 0.13 0.00 1.21 -1.22 0.00 0.00 177.39 177.68 2fg1 n GLU 136 N 0.51 0.00 -0.21 3.23 2.13 0.79 -2.15 120.64 124.94 2fg1 n GLU 136 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 2fg1 n GLU 136 Cb 0.13 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.87 2fg1 n GLU 136 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2fg1 h GLN 137 N 0.00 0.95 -0.52 5.31 5.75 -1.73 0.05 115.11 124.91 2fg1 h GLN 137 Ca 0.00 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.27 2fg1 h GLN 137 Cb 0.00 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 2fg1 h GLN 137 CO 0.00 0.86 0.28 0.82 -2.65 0.00 0.00 178.83 178.14 2fg1 h ILE 138 N 0.86 1.18 -0.58 2.39 2.04 -1.74 -1.57 117.51 120.11 2fg1 h ILE 138 Ca 0.19 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 2fg1 h ILE 138 Cb 0.32 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2fg1 h ILE 138 CO -0.00 0.19 0.28 0.40 0.00 0.00 0.00 178.15 179.03 2fg1 h ILE 139 N 0.70 1.20 -0.15 -0.67 2.04 -1.77 -0.27 117.51 118.59 2fg1 h ILE 139 Ca 0.18 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.50 2fg1 h ILE 139 Cb 0.06 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2fg1 h ILE 139 CO -0.03 0.23 -0.01 0.11 0.00 0.00 0.00 178.15 178.45 2fg1 h LYS 140 N 0.78 0.03 -0.34 2.37 1.57 -0.76 -1.16 116.57 119.06 2fg1 h LYS 140 Ca 0.20 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 2fg1 h LYS 140 Cb 0.11 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2fg1 h LYS 140 CO -0.03 0.02 0.04 0.93 -0.57 0.00 0.00 179.45 179.85 2fg1 h GLU 141 N 0.03 0.57 0.00 3.15 5.08 -0.99 -2.07 114.58 120.35 2fg1 h GLU 141 Ca 0.07 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 2fg1 h GLU 141 Cb 0.09 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2fg1 h GLU 141 CO -0.13 0.66 -0.66 0.93 -1.00 0.00 0.00 179.01 178.82 2fg1 h GLU 142 N 0.40 0.00 0.00 2.33 4.39 -0.97 -3.40 114.58 117.33 2fg1 h GLU 142 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2fg1 h GLU 142 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2fg1 h GLU 142 CO 0.01 0.22 -0.08 1.28 -1.16 0.00 0.00 179.01 179.28 2fg1 n LEU 143 N -3.01 0.88 -0.32 1.33 4.77 -0.45 -4.72 117.00 115.49 2fg1 n LEU 143 Ca -0.00 0.16 0.01 0.00 -0.03 0.00 0.00 56.01 56.15 2fg1 n LEU 143 Cb 0.66 -0.23 0.15 0.00 -2.33 0.00 0.00 43.42 41.67 2fg1 n LEU 143 CO 0.39 -0.70 1.21 0.40 -1.33 0.00 0.00 177.39 177.36 2fg1 h ILE 144 N 0.00 1.06 0.00 -0.08 1.08 -1.36 -1.53 117.51 116.68 2fg1 h ILE 144 Ca 0.00 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 2fg1 h ILE 144 Cb 0.08 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 33.78 2fg1 h ILE 144 CO 0.00 0.19 0.00 0.35 -0.69 0.00 0.00 178.15 178.00 2fg1 n THR 145 N -4.59 0.97 -0.39 -0.27 -2.24 -0.81 -1.42 114.28 105.53 2fg1 n THR 145 Ca 0.13 0.30 0.11 0.00 -2.27 0.00 0.00 64.05 62.33 2fg1 n THR 145 Cb 0.17 -1.19 0.33 0.00 -2.10 0.00 0.00 70.33 67.54 2fg1 n THR 145 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2fg1 n LYS 146 N -1.98 2.91 -2.32 -0.78 5.02 -0.60 -4.93 118.16 115.47 2fg1 n LYS 146 Ca 0.02 -2.69 -0.16 0.00 -2.02 0.00 0.00 58.31 53.46 2fg1 n LYS 146 Cb 0.18 -1.64 -0.01 0.00 -0.02 0.00 0.00 35.03 33.54 2fg1 n LYS 146 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2fg1 n GLU 147 N 1.55 -1.35 -3.19 1.97 1.02 -0.51 -4.99 120.64 115.15 2fg1 n GLU 147 Ca 0.25 0.79 -0.41 0.00 -0.02 0.00 0.00 57.16 57.77 2fg1 n GLU 147 Cb 0.67 -5.20 -0.07 0.00 -0.02 0.00 0.00 31.44 26.82 2fg1 n GLU 147 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2fg1 s ILE 148 N -2.82 5.01 0.34 -3.67 -1.09 -1.07 -5.04 121.20 112.86 2fg1 s ILE 148 Ca 0.00 0.80 -0.29 0.00 -2.23 0.00 0.00 60.65 58.93 2fg1 s ILE 148 Cb -0.00 -3.91 -0.10 0.00 -1.58 0.00 0.00 42.46 36.86 2fg1 s ILE 148 CO 0.00 -0.04 1.33 0.00 -1.23 0.00 0.00 174.94 175.00 2fg1 s ALA 149 N 2.44 3.50 -0.07 9.38 0.00 -1.26 -3.90 121.76 131.85 2fg1 s ALA 149 Ca 0.22 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.50 2fg1 s ALA 149 Cb -0.15 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.49 2fg1 s ALA 149 CO 0.11 -0.71 -0.08 0.08 0.00 0.00 0.00 175.76 175.17 2fg1 s VAL 150 N -1.14 0.83 -0.13 0.00 1.01 -1.26 -0.87 120.40 118.84 2fg1 s VAL 150 Ca 0.50 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.22 2fg1 s VAL 150 Cb -0.41 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.15 2fg1 s VAL 150 CO 0.54 0.30 -0.18 -0.89 0.00 0.00 0.00 175.10 174.87 2fg1 s THR 151 N 1.03 2.48 -0.16 3.92 2.01 -0.17 -1.16 115.64 123.59 2fg1 s THR 151 Ca -0.09 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.02 2fg1 s THR 151 Cb -0.14 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 2fg1 s THR 151 CO -0.00 0.53 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.76 2fg1 s VAL 152 N 0.61 4.19 -0.27 3.82 1.01 0.81 -4.23 120.40 126.34 2fg1 s VAL 152 Ca -0.10 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 2fg1 s VAL 152 Cb -0.16 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 2fg1 s VAL 152 CO 0.03 0.49 0.09 -0.31 0.00 0.00 0.00 175.10 175.40 2fg1 s TYR 153 N 0.26 3.12 -0.14 5.22 2.02 -1.26 -1.51 117.35 125.05 2fg1 s TYR 153 Ca -0.01 -0.63 -0.19 0.00 -0.37 0.00 0.00 57.07 55.87 2fg1 s TYR 153 Cb -0.13 -2.26 -0.04 0.00 -0.40 0.00 0.00 41.96 39.12 2fg1 s TYR 153 CO 0.02 -0.45 0.51 -0.51 -1.57 0.00 0.00 175.55 173.55 2fg1 s ASP 154 N 1.58 6.67 0.00 2.29 1.01 0.48 -4.13 116.67 124.57 2fg1 s ASP 154 Ca 0.05 0.80 0.00 0.00 0.71 0.00 0.00 52.55 54.11 2fg1 s ASP 154 Cb -0.16 -2.30 0.00 0.00 1.01 0.00 0.00 42.92 41.47 2fg1 s ASP 154 CO 0.04 -0.07 0.00 -0.11 0.21 0.00 0.00 175.17 175.24