#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fa4 s VAL 2 N 0.00 5.18 0.20 1.12 1.01 -1.26 -4.59 120.40 122.06 2fa4 s VAL 2 Ca 0.00 0.80 0.10 0.00 0.00 0.00 0.00 61.98 62.88 2fa4 s VAL 2 Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2fa4 s VAL 2 CO 0.00 0.26 -0.16 0.42 0.00 0.00 0.00 175.10 175.61 2fa4 s THR 3 N 1.20 2.78 0.30 3.92 -4.23 -1.13 -4.92 115.64 113.57 2fa4 s THR 3 Ca 0.21 -1.90 -0.28 0.00 -1.18 0.00 0.00 61.69 58.55 2fa4 s THR 3 Cb -0.15 -2.37 -0.09 0.00 1.34 0.00 0.00 72.50 71.22 2fa4 s THR 3 CO 0.08 -0.15 1.04 -1.10 -0.54 0.00 0.00 174.62 173.95 2fa4 s GLN 4 N -2.86 4.57 -0.34 3.99 -0.21 -1.26 -1.62 119.66 121.93 2fa4 s GLN 4 Ca 0.24 1.61 -0.07 0.00 0.02 0.00 0.00 55.36 57.16 2fa4 s GLN 4 Cb -0.08 -3.02 0.03 0.00 1.00 0.00 0.00 33.01 30.95 2fa4 s GLN 4 CO 0.13 0.21 0.12 -0.51 -2.12 0.00 0.00 175.29 173.12 2fa4 s LEU 5 N -1.73 4.33 -0.13 2.90 1.43 -0.41 -4.90 118.68 120.17 2fa4 s LEU 5 Ca 0.47 -1.06 0.16 0.00 -1.03 0.00 0.00 54.13 52.68 2fa4 s LEU 5 Cb -0.27 -1.90 0.62 0.00 0.03 0.00 0.00 46.19 44.68 2fa4 s LEU 5 CO 0.34 -0.32 1.54 0.29 0.23 0.00 0.00 176.35 178.43 2fa4 n LYS 6 N 4.85 3.56 -3.57 1.70 5.02 -1.26 -4.58 118.16 123.88 2fa4 n LYS 6 Ca -0.13 -2.78 -0.06 0.00 -2.02 0.00 0.00 58.31 53.32 2fa4 n LYS 6 Cb 0.45 -1.83 -0.02 0.00 -0.02 0.00 0.00 35.03 33.61 2fa4 n LYS 6 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2fa4 s SER 7 N -1.16 -0.20 0.32 4.39 1.04 -1.26 -4.91 113.70 111.91 2fa4 s SER 7 Ca 0.45 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.91 2fa4 s SER 7 Cb 0.31 0.20 0.55 0.00 0.10 0.00 0.00 66.02 67.18 2fa4 s SER 7 CO 0.18 -0.32 1.95 0.00 0.98 0.00 0.00 173.24 176.03 2fa4 h ALA 8 N 2.03 1.52 -0.56 5.32 0.00 -1.94 -2.55 119.26 123.07 2fa4 h ALA 8 Ca -0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2fa4 h ALA 8 Cb 1.18 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2fa4 h ALA 8 CO 0.25 0.40 0.06 0.77 0.00 0.00 0.00 179.25 180.73 2fa4 h SER 9 N 0.99 0.93 -0.76 0.00 0.02 -1.99 -2.25 113.55 110.48 2fa4 h SER 9 Ca 0.33 -0.28 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2fa4 h SER 9 Cb 0.06 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.30 2fa4 h SER 9 CO -0.10 0.97 0.47 -0.33 -1.14 0.00 0.00 176.83 176.71 2fa4 h GLU 10 N 0.85 0.88 -0.48 3.45 5.08 -1.90 -2.27 114.58 120.18 2fa4 h GLU 10 Ca 0.17 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 2fa4 h GLU 10 Cb 0.46 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2fa4 h GLU 10 CO 0.02 0.58 0.04 -0.92 -1.00 0.00 0.00 179.01 177.73 2fa4 h TYR 11 N 0.90 0.88 -0.74 4.33 3.20 -1.35 -1.27 116.97 122.93 2fa4 h TYR 11 Ca 0.32 -0.14 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 2fa4 h TYR 11 Cb 0.08 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 2fa4 h TYR 11 CO -0.04 0.83 0.27 -0.44 -1.64 0.00 0.00 178.16 177.14 2fa4 h ASP 12 N 0.68 1.05 -0.53 -2.11 3.32 -1.27 -2.51 116.42 115.05 2fa4 h ASP 12 Ca 0.14 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 2fa4 h ASP 12 Cb 0.45 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2fa4 h ASP 12 CO 0.02 0.96 -0.00 -1.28 -1.72 0.00 0.00 179.24 177.21 2fa4 h SER 13 N 1.08 0.93 0.13 6.45 0.87 -1.30 -3.12 113.55 118.59 2fa4 h SER 13 Ca 0.24 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 2fa4 h SER 13 Cb 0.26 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2fa4 h SER 13 CO -0.01 1.01 -0.11 0.00 -0.53 0.00 0.00 176.83 177.19 2fa4 h ALA 14 N 0.95 1.74 0.00 6.23 0.00 -0.99 -2.19 119.26 125.00 2fa4 h ALA 14 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2fa4 h ALA 14 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2fa4 h ALA 14 CO 0.03 0.14 -0.05 -0.07 0.00 0.00 0.00 179.25 179.30 2fa4 h LEU 15 N 0.00 0.00 -5.98 0.00 3.38 -1.40 -3.38 115.31 107.93 2fa4 h LEU 15 Ca -0.00 -0.01 -0.73 0.00 0.09 0.00 0.00 57.88 57.23 2fa4 h LEU 15 Cb 0.21 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.87 2fa4 h LEU 15 CO 0.01 0.00 2.67 0.00 0.09 0.00 0.00 178.44 181.22 2fa4 n ALA 16 N -1.92 5.96 -1.50 1.53 0.00 -0.83 -3.25 120.51 120.52 2fa4 n ALA 16 Ca 0.05 -4.04 0.07 0.00 0.00 0.00 0.00 53.44 49.51 2fa4 n ALA 16 Cb 0.47 -3.17 0.20 0.00 0.00 0.00 0.00 19.45 16.95 2fa4 n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2fa4 n SER 17 N 4.14 1.85 0.00 0.00 3.41 -1.26 -5.03 113.62 116.73 2fa4 n SER 17 Ca 0.52 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.38 2fa4 n SER 17 Cb 0.33 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2fa4 n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2fa4 n GLY 18 N -1.18 3.07 0.35 5.00 0.00 -1.26 -1.50 105.19 109.67 2fa4 n GLY 18 Ca 0.19 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2fa4 n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fa4 n ASP 19 N 2.70 1.06 -4.81 1.61 8.00 -1.26 -1.71 116.55 122.13 2fa4 n ASP 19 Ca 0.00 -1.51 -0.33 0.00 0.71 0.00 0.00 54.79 53.66 2fa4 n ASP 19 Cb 0.00 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 2fa4 n ASP 19 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2fa4 s LYS 20 N -1.91 3.77 0.29 -1.24 -2.85 -0.56 -4.75 119.74 112.48 2fa4 s LYS 20 Ca 0.34 1.17 -0.29 0.00 -1.00 0.00 0.00 55.97 56.20 2fa4 s LYS 20 Cb 0.18 -2.10 -0.10 0.00 -2.06 0.00 0.00 37.83 33.75 2fa4 s LYS 20 CO 0.28 -0.44 1.15 -1.17 0.10 0.00 0.00 175.35 175.27 2fa4 s LEU 21 N -3.88 4.52 -0.12 2.77 2.96 -1.26 -4.37 118.68 119.30 2fa4 s LEU 21 Ca 0.63 2.36 0.02 0.00 -0.22 0.00 0.00 54.13 56.92 2fa4 s LEU 21 Cb -0.13 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 42.94 2fa4 s LEU 21 CO 0.27 -0.23 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.21 2fa4 s VAL 22 N -1.14 1.61 -0.19 1.68 1.01 -0.31 -1.22 120.40 121.84 2fa4 s VAL 22 Ca 0.46 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2fa4 s VAL 22 Cb -0.34 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 2fa4 s VAL 22 CO 0.44 0.46 -0.09 -0.69 0.00 0.00 0.00 175.10 175.22 2fa4 s VAL 23 N 1.07 3.08 -0.22 2.92 1.01 0.75 -0.30 120.40 128.71 2fa4 s VAL 23 Ca -0.04 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 2fa4 s VAL 23 Cb -0.15 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.87 2fa4 s VAL 23 CO -0.04 0.47 -0.07 -0.69 0.00 0.00 0.00 175.10 174.77 2fa4 s VAL 24 N 1.17 3.10 -0.49 2.92 1.01 -0.44 -0.02 120.40 127.66 2fa4 s VAL 24 Ca 0.02 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 2fa4 s VAL 24 Cb -0.14 -2.43 0.04 0.00 0.00 0.00 0.00 36.38 33.84 2fa4 s VAL 24 CO -0.03 0.39 0.82 -0.62 0.00 0.00 0.00 175.10 175.67 2fa4 s ASP 25 N 1.43 6.36 -0.27 3.32 -1.08 0.93 -1.00 116.67 126.36 2fa4 s ASP 25 Ca 0.05 -0.30 -0.21 0.00 -0.52 0.00 0.00 52.55 51.57 2fa4 s ASP 25 Cb -0.15 -2.39 -0.02 0.00 -1.46 0.00 0.00 42.92 38.91 2fa4 s ASP 25 CO -0.05 -1.03 0.65 -0.36 0.52 0.00 0.00 175.17 174.90 2fa4 s PHE 26 N 3.46 3.27 0.26 -5.34 0.08 0.56 0.14 117.98 120.41 2fa4 s PHE 26 Ca 0.28 0.79 0.03 0.00 0.12 0.00 0.00 56.93 58.16 2fa4 s PHE 26 Cb -0.13 -2.90 -0.04 0.00 -0.57 0.00 0.00 43.02 39.38 2fa4 s PHE 26 CO 0.20 -0.37 0.19 -0.59 -0.10 0.00 0.00 175.22 174.55 2fa4 s PHE 27 N 2.57 1.46 0.09 0.36 -0.12 -0.46 -2.12 117.98 119.75 2fa4 s PHE 27 Ca 0.27 -1.50 0.03 0.00 -0.05 0.00 0.00 56.93 55.68 2fa4 s PHE 27 Cb -0.15 -0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 41.54 2fa4 s PHE 27 CO 0.09 -0.72 -0.09 0.00 -0.05 0.00 0.00 175.22 174.45 2fa4 s ALA 28 N -3.81 1.02 0.30 1.99 0.00 -1.26 -0.81 121.76 119.19 2fa4 s ALA 28 Ca 0.39 -1.18 0.27 0.00 0.00 0.00 0.00 51.96 51.45 2fa4 s ALA 28 Cb 0.05 0.06 1.29 0.00 0.00 0.00 0.00 23.12 24.52 2fa4 s ALA 28 CO 0.19 -0.08 1.99 1.79 0.00 0.00 0.00 175.76 179.65 2fa4 h THR 29 N 3.53 0.49 -0.01 0.00 1.35 -1.99 -2.94 112.91 113.34 2fa4 h THR 29 Ca -0.37 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 2fa4 h THR 29 Cb 1.19 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 2fa4 h THR 29 CO 0.54 0.14 -0.31 -2.67 -0.25 0.00 0.00 175.52 172.97 2fa4 n TRP 30 N -3.47 0.00 -2.74 4.73 2.14 -1.26 -4.88 117.44 111.96 2fa4 n TRP 30 Ca -0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.14 2fa4 n TRP 30 Cb 0.31 -0.16 -0.04 0.00 -0.81 0.00 0.00 31.31 30.62 2fa4 n TRP 30 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2fa4 h GLY 32 N 11.60 -0.59 1.78 0.00 0.00 -1.89 -2.79 103.07 111.18 2fa4 h GLY 32 Ca -0.27 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.31 2fa4 h GLY 32 CO 1.16 -0.22 0.13 -2.55 0.00 0.00 0.00 176.54 175.06 2fa4 h PRO 33 N -0.57 0.23 -0.38 4.80 0.11 -1.92 -0.82 132.00 133.45 2fa4 h PRO 33 Ca -0.05 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.11 2fa4 h PRO 33 Cb 0.45 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.45 2fa4 h PRO 33 CO 0.07 0.15 0.03 0.00 -0.21 0.00 0.00 178.00 178.04 2fa4 h LYS 35 N 0.14 0.99 -0.94 0.00 1.57 -0.91 -2.35 116.57 115.08 2fa4 h LYS 35 Ca 0.19 -0.32 0.16 0.00 -1.87 0.00 0.00 60.65 58.81 2fa4 h LYS 35 Cb 0.25 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.39 2fa4 h LYS 35 CO -0.28 0.99 0.60 0.52 -0.57 0.00 0.00 179.45 180.71 2fa4 h MET 36 N 0.90 0.70 0.00 3.15 2.86 -1.18 -3.00 114.93 118.37 2fa4 h MET 36 Ca 0.16 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2fa4 h MET 36 Cb 0.57 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2fa4 h MET 36 CO 0.03 0.47 -1.31 1.51 1.06 0.00 0.00 176.91 178.66 2fa4 n ILE 37 N -4.61 0.01 -0.24 -1.22 3.06 -1.05 -4.52 119.36 110.79 2fa4 n ILE 37 Ca 0.19 -0.17 0.02 0.00 -2.50 0.00 0.00 62.75 60.29 2fa4 n ILE 37 Cb 0.51 0.64 0.14 0.00 0.54 0.00 0.00 39.64 41.47 2fa4 n ILE 37 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2fa4 h ALA 38 N 2.66 0.95 -0.97 1.51 0.00 -1.27 -1.64 119.26 120.50 2fa4 h ALA 38 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2fa4 h ALA 38 Cb 0.67 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2fa4 h ALA 38 CO 0.00 -0.14 0.63 -1.35 0.00 0.00 0.00 179.25 178.39 2fa4 h PRO 39 N 0.49 1.11 -0.50 0.00 0.11 -1.79 -1.51 132.00 129.90 2fa4 h PRO 39 Ca 0.36 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 66.29 2fa4 h PRO 39 Cb 0.45 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 2fa4 h PRO 39 CO -0.32 0.73 -0.11 1.98 -0.21 0.00 0.00 178.00 180.07 2fa4 h MET 40 N 1.14 0.97 -0.68 1.05 4.05 -1.66 -1.52 114.93 118.29 2fa4 h MET 40 Ca 0.41 -0.37 -0.04 0.00 -0.28 0.00 0.00 59.70 59.43 2fa4 h MET 40 Cb 0.14 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 2fa4 h MET 40 CO -0.15 1.04 0.28 0.82 0.23 0.00 0.00 176.91 179.13 2fa4 h ILE 41 N 0.83 1.23 -0.53 1.77 2.04 -1.13 0.87 117.51 122.59 2fa4 h ILE 41 Ca 0.13 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 2fa4 h ILE 41 Cb 0.68 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2fa4 h ILE 41 CO 0.05 0.29 0.18 -0.08 0.00 0.00 0.00 178.15 178.59 2fa4 h GLU 42 N 0.97 0.82 -0.43 2.37 4.57 -1.09 -1.60 114.58 120.19 2fa4 h GLU 42 Ca 0.23 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 2fa4 h GLU 42 Cb 0.17 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 2fa4 h GLU 42 CO -0.02 0.74 0.24 -0.22 -1.18 0.00 0.00 179.01 178.56 2fa4 h LYS 43 N 0.73 0.59 -0.93 1.92 3.64 -0.87 -2.84 116.57 118.81 2fa4 h LYS 43 Ca 0.17 -0.07 0.11 0.00 -1.27 0.00 0.00 60.65 59.60 2fa4 h LYS 43 Cb 0.25 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 31.88 2fa4 h LYS 43 CO -0.01 0.47 0.56 0.74 -2.27 0.00 0.00 179.45 178.94 2fa4 h PHE 44 N 0.55 1.01 -0.10 1.91 0.04 -0.67 0.07 116.94 119.76 2fa4 h PHE 44 Ca 0.15 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 2fa4 h PHE 44 Cb 0.05 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 2fa4 h PHE 44 CO -0.02 0.39 0.02 0.00 -0.60 0.00 0.00 178.31 178.10 2fa4 h ALA 45 N 1.51 1.84 0.19 2.45 0.00 -1.06 0.37 119.26 124.56 2fa4 h ALA 45 Ca 0.46 -0.05 -0.35 0.00 0.00 0.00 0.00 54.91 54.97 2fa4 h ALA 45 Cb 0.46 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2fa4 h ALA 45 CO -0.27 0.13 -1.70 0.93 0.00 0.00 0.00 179.25 178.34 2fa4 h GLU 46 N 0.14 0.40 -0.36 0.00 5.08 -1.12 -3.36 114.58 115.35 2fa4 h GLU 46 Ca 0.04 -0.68 -0.05 0.00 -1.00 0.00 0.00 59.36 57.66 2fa4 h GLU 46 Cb 0.07 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2fa4 h GLU 46 CO -0.00 1.31 0.02 1.96 -1.00 0.00 0.00 179.01 181.30 2fa4 h GLN 47 N 0.11 0.63 -3.09 2.33 4.20 -0.51 -3.35 115.11 115.43 2fa4 h GLN 47 Ca -0.33 -0.19 -0.78 0.00 0.06 0.00 0.00 58.65 57.42 2fa4 h GLN 47 Cb 2.10 -0.06 -0.30 0.00 0.30 0.00 0.00 27.48 29.52 2fa4 h GLN 47 CO 0.19 0.73 0.48 0.66 -0.67 0.00 0.00 178.83 180.21 2fa4 n TYR 48 N -4.51 3.51 0.60 2.96 4.02 0.13 -4.86 117.16 119.00 2fa4 n TYR 48 Ca -0.01 -3.29 0.07 0.00 -0.01 0.00 0.00 57.90 54.66 2fa4 n TYR 48 Cb 0.26 -1.32 0.34 0.00 -0.02 0.00 0.00 39.34 38.60 2fa4 n TYR 48 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2fa4 n SER 49 N 1.79 0.00 0.07 7.72 3.41 -1.26 -2.37 113.62 122.98 2fa4 n SER 49 Ca 0.25 0.27 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 2fa4 n SER 49 Cb 0.36 -0.39 0.29 0.00 -0.26 0.00 0.00 64.21 64.22 2fa4 n SER 49 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2fa4 n ASP 50 N -1.39 0.68 -4.74 4.04 8.00 -1.26 -4.87 116.55 117.02 2fa4 n ASP 50 Ca 0.05 0.29 -0.27 0.00 0.71 0.00 0.00 54.79 55.57 2fa4 n ASP 50 Cb 0.14 -0.24 -0.07 0.00 -0.02 0.00 0.00 41.12 40.94 2fa4 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fa4 s ALA 51 N -3.12 3.43 -0.15 2.24 0.00 -1.00 -4.37 121.76 118.78 2fa4 s ALA 51 Ca 0.09 -1.22 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 2fa4 s ALA 51 Cb 0.14 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 2fa4 s ALA 51 CO 0.66 0.56 -0.03 0.00 0.00 0.00 0.00 175.76 176.95 2fa4 s ALA 52 N -1.63 3.05 -0.07 0.00 0.00 -0.36 -4.99 121.76 117.75 2fa4 s ALA 52 Ca 0.29 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.46 2fa4 s ALA 52 Cb -0.10 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 2fa4 s ALA 52 CO 0.21 0.25 -0.13 -0.06 0.00 0.00 0.00 175.76 176.02 2fa4 s PHE 53 N 0.25 2.75 0.10 0.00 0.40 -1.26 -0.18 117.98 120.05 2fa4 s PHE 53 Ca -0.02 -0.23 -0.04 0.00 -0.60 0.00 0.00 56.93 56.04 2fa4 s PHE 53 Cb -0.14 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 2fa4 s PHE 53 CO 0.03 0.13 0.09 0.71 0.70 0.00 0.00 175.22 176.87 2fa4 s TYR 54 N -0.53 0.55 0.00 0.36 1.51 0.97 -2.82 117.35 117.40 2fa4 s TYR 54 Ca 0.07 -0.99 0.05 0.00 -1.01 0.00 0.00 57.07 55.19 2fa4 s TYR 54 Cb -0.12 -0.31 -0.02 0.00 -0.11 0.00 0.00 41.96 41.41 2fa4 s TYR 54 CO 0.02 -0.51 -0.16 -1.59 -1.11 0.00 0.00 175.55 172.19 2fa4 s LYS 55 N -3.96 1.23 -0.06 -0.62 -2.85 -0.64 -0.05 119.74 112.79 2fa4 s LYS 55 Ca 0.14 -0.63 -0.01 0.00 -1.00 0.00 0.00 55.97 54.47 2fa4 s LYS 55 Cb 0.06 -1.21 0.03 0.00 -2.06 0.00 0.00 37.83 34.65 2fa4 s LYS 55 CO -0.04 0.33 -0.02 -1.17 0.10 0.00 0.00 175.35 174.55 2fa4 s LEU 56 N -0.58 0.85 -0.48 2.77 0.20 0.12 -1.29 118.68 120.28 2fa4 s LEU 56 Ca 0.05 -0.11 -0.28 0.00 0.69 0.00 0.00 54.13 54.48 2fa4 s LEU 56 Cb -0.07 -0.46 0.03 0.00 -0.43 0.00 0.00 46.19 45.26 2fa4 s LEU 56 CO -0.00 -0.15 1.11 -0.62 -0.29 0.00 0.00 176.35 176.40 2fa4 s ASP 57 N 1.63 6.61 0.60 3.68 -1.08 -1.26 -1.36 116.67 125.49 2fa4 s ASP 57 Ca -0.00 0.40 0.30 0.00 -0.52 0.00 0.00 52.55 52.73 2fa4 s ASP 57 Cb -0.13 -2.53 1.67 0.00 -1.46 0.00 0.00 42.92 40.47 2fa4 s ASP 57 CO -0.04 -1.23 2.07 -0.37 0.52 0.00 0.00 175.17 176.13 2fa4 h VAL 58 N 6.21 0.40 0.00 1.11 -1.51 -1.27 -0.37 116.25 120.81 2fa4 h VAL 58 Ca -0.23 0.00 -0.21 0.00 -1.23 0.00 0.00 66.70 65.03 2fa4 h VAL 58 Cb 1.06 0.80 -0.03 0.00 -2.13 0.00 0.00 31.29 31.00 2fa4 h VAL 58 CO 1.11 0.00 -1.10 0.44 -1.23 0.00 0.00 177.57 176.79 2fa4 h ASP 59 N 0.00 0.00 0.14 4.19 3.32 -1.92 -3.00 116.42 119.16 2fa4 h ASP 59 Ca 0.09 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.89 2fa4 h ASP 59 Cb 0.57 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.13 2fa4 h ASP 59 CO -0.00 0.91 -1.23 -0.08 -1.72 0.00 0.00 179.24 177.12 2fa4 h GLU 60 N 0.00 0.30 -2.21 3.56 4.81 -1.60 -3.39 114.58 116.04 2fa4 h GLU 60 Ca -0.07 -0.51 -0.57 0.00 -0.13 0.00 0.00 59.36 58.07 2fa4 h GLU 60 Cb 1.76 0.19 -0.42 0.00 0.63 0.00 0.00 28.75 30.91 2fa4 h GLU 60 CO 0.11 1.24 -0.74 0.28 -0.73 0.00 0.00 179.01 179.17 2fa4 n VAL 61 N -3.96 2.28 0.24 0.32 0.31 -0.28 -4.90 118.33 112.34 2fa4 n VAL 61 Ca -0.20 -5.29 0.12 0.00 -0.01 0.00 0.00 64.34 58.96 2fa4 n VAL 61 Cb 0.90 -1.40 0.50 0.00 -0.91 0.00 0.00 33.84 32.93 2fa4 n VAL 61 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2fa4 h SER 62 N 3.28 0.00 -0.76 4.52 4.64 -1.73 -2.71 113.55 120.78 2fa4 h SER 62 Ca 0.14 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2fa4 h SER 62 Cb 0.62 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.67 2fa4 h SER 62 CO 0.76 0.15 0.47 -2.24 -0.87 0.00 0.00 176.83 175.10 2fa4 h ASP 63 N 0.00 0.91 -0.22 4.97 2.03 -1.90 0.91 116.42 123.12 2fa4 h ASP 63 Ca -0.00 -0.05 -0.17 0.00 -0.73 0.00 0.00 57.03 56.07 2fa4 h ASP 63 Cb 0.70 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 2fa4 h ASP 63 CO 0.02 0.69 -0.53 0.58 -1.03 0.00 0.00 179.24 178.97 2fa4 h VAL 64 N 1.04 1.30 -0.82 4.15 2.07 -1.89 -2.40 116.25 119.69 2fa4 h VAL 64 Ca 0.27 -1.74 0.03 0.00 0.82 0.00 0.00 66.70 66.08 2fa4 h VAL 64 Cb -0.06 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 2fa4 h VAL 64 CO -0.05 0.55 0.54 0.00 0.02 0.00 0.00 177.57 178.63 2fa4 h ALA 65 N 0.61 1.47 -0.10 1.67 0.00 -1.36 -1.54 119.26 120.01 2fa4 h ALA 65 Ca -0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 2fa4 h ALA 65 Cb 1.14 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2fa4 h ALA 65 CO 0.12 0.46 -0.79 1.96 0.00 0.00 0.00 179.25 181.00 2fa4 h GLN 66 N 1.05 0.59 0.00 0.00 4.20 -0.76 -2.48 115.11 117.70 2fa4 h GLN 66 Ca 0.32 -0.50 -0.09 0.00 0.06 0.00 0.00 58.65 58.44 2fa4 h GLN 66 Cb -0.02 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2fa4 h GLN 66 CO -0.09 1.12 -0.43 0.87 -0.67 0.00 0.00 178.83 179.64 2fa4 h LYS 67 N 0.39 0.00 -0.03 1.46 1.57 -1.08 -2.39 116.57 116.49 2fa4 h LYS 67 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2fa4 h LYS 67 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.71 2fa4 h LYS 67 CO 0.15 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.45 2fa4 n ALA 68 N -2.45 2.60 -3.69 3.86 0.00 -0.61 -4.95 120.51 115.27 2fa4 n ALA 68 Ca -0.02 -0.38 -0.26 0.00 0.00 0.00 0.00 53.44 52.78 2fa4 n ALA 68 Cb 0.46 -1.25 0.06 0.00 0.00 0.00 0.00 19.45 18.71 2fa4 n ALA 68 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2fa4 n GLU 69 N -0.15 -6.89 -2.38 0.00 1.02 -0.90 -4.94 120.64 106.42 2fa4 n GLU 69 Ca 0.20 0.74 -0.42 0.00 -0.02 0.00 0.00 57.16 57.66 2fa4 n GLU 69 Cb 0.28 -5.73 -0.03 0.00 -0.02 0.00 0.00 31.44 25.94 2fa4 n GLU 69 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2fa4 s VAL 70 N -3.30 3.84 -0.15 2.62 1.01 -0.95 -4.92 120.40 118.55 2fa4 s VAL 70 Ca 0.61 1.36 -0.00 0.00 0.00 0.00 0.00 61.98 63.94 2fa4 s VAL 70 Cb -0.28 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 2fa4 s VAL 70 CO 0.75 0.13 -0.14 -1.20 0.00 0.00 0.00 175.10 174.64 2fa4 n SER 71 N 3.66 2.65 -4.17 3.32 7.64 -1.26 -4.88 113.62 120.58 2fa4 n SER 71 Ca 0.08 -0.04 -0.11 0.00 1.01 0.00 0.00 58.87 59.81 2fa4 n SER 71 Cb 0.45 -0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 63.30 2fa4 n SER 71 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2fa4 s SER 72 N -5.52 1.08 -0.00 6.43 1.04 -1.26 -5.17 113.70 110.30 2fa4 s SER 72 Ca -0.20 -1.03 0.05 0.00 0.48 0.00 0.00 55.95 55.25 2fa4 s SER 72 Cb 0.05 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 2fa4 s SER 72 CO 0.33 -0.49 -0.14 -0.04 0.98 0.00 0.00 173.24 173.88 2fa4 s MET 73 N -3.85 2.36 0.53 4.02 1.00 -1.26 -3.63 119.30 118.47 2fa4 s MET 73 Ca 0.13 -0.80 -0.12 0.00 0.00 0.00 0.00 55.69 54.90 2fa4 s MET 73 Cb 0.06 -2.34 -0.05 0.00 0.00 0.00 0.00 34.83 32.49 2fa4 s MET 73 CO -0.04 0.59 0.94 -1.25 0.00 0.00 0.00 175.02 175.26 2fa4 s PRO 74 N -1.16 3.72 -0.08 2.03 0.04 -1.26 -4.72 135.00 133.57 2fa4 s PRO 74 Ca 0.14 0.68 0.01 0.00 0.04 0.00 0.00 61.00 61.87 2fa4 s PRO 74 Cb -0.11 -2.19 0.02 0.00 0.04 0.00 0.00 34.50 32.26 2fa4 s PRO 74 CO 0.04 -0.34 -0.08 0.99 0.04 0.00 0.00 177.00 177.65 2fa4 s THR 75 N -2.83 0.89 -0.25 1.26 2.01 -0.90 -0.73 115.64 115.09 2fa4 s THR 75 Ca 0.54 -0.27 -0.07 0.00 0.31 0.00 0.00 61.69 62.21 2fa4 s THR 75 Cb -0.10 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 2fa4 s THR 75 CO 0.43 0.32 0.06 -0.76 -0.69 0.00 0.00 174.62 173.97 2fa4 s LEU 76 N 1.24 3.38 -0.08 4.42 2.01 -0.44 -0.32 118.68 128.88 2fa4 s LEU 76 Ca -0.05 -0.24 -0.03 0.00 0.01 0.00 0.00 54.13 53.83 2fa4 s LEU 76 Cb -0.14 -1.90 -0.03 0.00 0.01 0.00 0.00 46.19 44.13 2fa4 s LEU 76 CO -0.02 -0.04 0.04 -0.63 1.01 0.00 0.00 176.35 176.71 2fa4 s ILE 77 N 1.60 4.59 -0.20 -0.59 1.01 -0.17 -0.89 121.20 126.55 2fa4 s ILE 77 Ca 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 2fa4 s ILE 77 Cb -0.15 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 2fa4 s ILE 77 CO 0.03 0.58 -0.03 -0.36 0.00 0.00 0.00 174.94 175.16 2fa4 s PHE 78 N -0.94 2.98 0.08 3.97 0.40 -0.79 -1.32 117.98 122.35 2fa4 s PHE 78 Ca 0.15 -0.68 0.09 0.00 -0.60 0.00 0.00 56.93 55.89 2fa4 s PHE 78 Cb -0.12 -2.07 -0.03 0.00 0.51 0.00 0.00 43.02 41.31 2fa4 s PHE 78 CO 0.04 -0.37 -0.22 0.71 0.70 0.00 0.00 175.22 176.08 2fa4 s TYR 79 N 1.15 2.45 -0.06 0.36 1.51 0.58 -0.84 117.35 122.50 2fa4 s TYR 79 Ca 0.02 -0.32 -0.03 0.00 -1.01 0.00 0.00 57.07 55.74 2fa4 s TYR 79 Cb -0.15 -1.38 0.04 0.00 -0.11 0.00 0.00 41.96 40.37 2fa4 s TYR 79 CO 0.00 0.27 0.12 0.15 -1.11 0.00 0.00 175.55 174.98 2fa4 s LYS 80 N -1.68 -0.00 -1.44 -0.62 -0.14 -0.35 -1.17 119.74 114.35 2fa4 s LYS 80 Ca 0.15 0.45 0.00 0.00 -1.36 0.00 0.00 55.97 55.21 2fa4 s LYS 80 Cb -0.10 -0.34 0.00 0.00 -1.68 0.00 0.00 37.83 35.71 2fa4 s LYS 80 CO 0.06 -0.29 0.00 0.41 -0.76 0.00 0.00 175.35 174.77 2fa4 n GLY 81 N 5.10 0.88 2.10 -3.33 0.00 -0.70 -1.92 105.19 107.33 2fa4 n GLY 81 Ca -0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 2fa4 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fa4 n GLY 82 N -1.12 0.49 3.25 -0.02 0.00 -1.20 -4.98 105.19 101.61 2fa4 n GLY 82 Ca -0.16 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 2fa4 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fa4 s LYS 83 N -0.93 2.17 0.16 1.61 1.02 -0.81 -5.06 119.74 117.90 2fa4 s LYS 83 Ca 0.00 -0.84 -0.31 0.00 0.02 0.00 0.00 55.97 54.83 2fa4 s LYS 83 Cb 0.00 -1.95 -0.10 0.00 -0.52 0.00 0.00 37.83 35.26 2fa4 s LYS 83 CO 0.00 0.43 1.66 -2.00 -0.92 0.00 0.00 175.35 174.52 2fa4 s GLU 84 N -0.32 4.18 -0.07 1.68 2.12 -1.26 -1.21 118.70 123.82 2fa4 s GLU 84 Ca 0.02 2.46 0.17 0.00 0.36 0.00 0.00 54.97 57.98 2fa4 s GLU 84 Cb -0.11 -3.25 -0.25 0.00 0.26 0.00 0.00 34.13 30.78 2fa4 s GLU 84 CO 0.01 -0.70 0.27 1.33 -0.54 0.00 0.00 175.26 175.64 2fa4 n VAL 85 N 4.18 0.38 -3.88 3.70 0.24 -0.02 -4.93 118.33 118.01 2fa4 n VAL 85 Ca 0.15 -0.50 0.04 0.00 -2.04 0.00 0.00 64.34 61.99 2fa4 n VAL 85 Cb 0.38 -0.13 0.01 0.00 -1.47 0.00 0.00 33.84 32.62 2fa4 n VAL 85 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2fa4 s THR 86 N -2.93 0.00 0.07 3.34 -1.32 -1.25 -5.05 115.64 108.50 2fa4 s THR 86 Ca -0.07 -0.04 -0.20 0.00 -1.21 0.00 0.00 61.69 60.18 2fa4 s THR 86 Cb 0.09 -2.67 0.04 0.00 -1.51 0.00 0.00 72.50 68.46 2fa4 s THR 86 CO 0.71 0.00 0.47 0.00 -2.21 0.00 0.00 174.62 173.58 2fa4 s ARG 87 N -2.03 1.02 -0.16 7.08 1.70 -1.26 -1.89 118.95 123.41 2fa4 s ARG 87 Ca 0.27 -0.40 -0.00 0.00 -0.47 0.00 0.00 55.73 55.13 2fa4 s ARG 87 Cb 0.02 0.46 -0.00 0.00 -0.57 0.00 0.00 34.95 34.86 2fa4 s ARG 87 CO -0.04 -0.38 -0.15 0.08 -1.08 0.00 0.00 175.30 173.74 2fa4 s VAL 88 N -2.85 2.67 -0.26 4.99 1.01 -0.07 -4.97 120.40 120.93 2fa4 s VAL 88 Ca -0.03 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 2fa4 s VAL 88 Cb -0.00 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2fa4 s VAL 88 CO -0.05 0.51 0.10 -0.69 0.00 0.00 0.00 175.10 174.96 2fa4 s VAL 89 N 0.92 4.53 0.00 2.92 1.01 -1.26 -1.33 120.40 127.18 2fa4 s VAL 89 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.85 2fa4 s VAL 89 Cb -0.15 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2fa4 s VAL 89 CO -0.02 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2fa4 n GLY 90 N 4.94 2.81 3.54 4.51 0.00 0.09 -4.83 105.19 116.25 2fa4 n GLY 90 Ca -0.16 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 2fa4 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fa4 n ALA 91 N 0.38 3.04 -3.94 4.61 0.00 -1.26 -4.78 120.51 118.56 2fa4 n ALA 91 Ca 0.00 -3.56 -0.30 0.00 0.00 0.00 0.00 53.44 49.57 2fa4 n ALA 91 Cb 0.00 -3.56 -0.14 0.00 0.00 0.00 0.00 19.45 15.74 2fa4 n ALA 91 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2fa4 s ASN 92 N 4.95 4.42 0.12 0.00 3.84 -1.26 -5.02 114.94 122.00 2fa4 s ASN 92 Ca 0.59 -2.45 -0.28 0.00 0.21 0.00 0.00 52.86 50.93 2fa4 s ASN 92 Cb 0.03 -1.49 -0.07 0.00 -0.55 0.00 0.00 41.25 39.16 2fa4 s ASN 92 CO 0.09 -0.32 1.61 -0.65 -2.79 0.00 0.00 177.10 175.05 2fa4 h PRO 93 N 7.19 -0.51 -0.34 0.43 0.11 -2.00 -0.97 132.00 135.92 2fa4 h PRO 93 Ca -0.06 0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.13 2fa4 h PRO 93 Cb 0.97 0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 2fa4 h PRO 93 CO 0.57 -0.34 0.06 0.00 -0.21 0.00 0.00 178.00 178.08 2fa4 h ALA 94 N 0.14 0.36 -0.54 -0.75 0.00 -1.99 -1.68 119.26 114.80 2fa4 h ALA 94 Ca 0.04 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2fa4 h ALA 94 Cb 0.58 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2fa4 h ALA 94 CO -0.23 -0.34 0.35 0.00 0.00 0.00 0.00 179.25 179.02 2fa4 h ALA 95 N 1.26 0.68 -0.18 0.00 0.00 -1.97 -1.47 119.26 117.58 2fa4 h ALA 95 Ca 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2fa4 h ALA 95 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2fa4 h ALA 95 CO -0.22 0.11 0.11 0.82 0.00 0.00 0.00 179.25 180.08 2fa4 h ILE 96 N 0.72 1.07 -0.36 0.00 2.04 -0.89 -2.60 117.51 117.49 2fa4 h ILE 96 Ca 0.20 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.96 2fa4 h ILE 96 Cb -0.07 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 2fa4 h ILE 96 CO -0.05 0.07 0.06 0.50 0.00 0.00 0.00 178.15 178.73 2fa4 h LYS 97 N 0.22 0.17 -0.66 2.37 3.64 -1.18 -1.55 116.57 119.58 2fa4 h LYS 97 Ca 0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2fa4 h LYS 97 Cb 0.01 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 2fa4 h LYS 97 CO -0.01 0.11 0.42 1.96 -2.27 0.00 0.00 179.45 179.66 2fa4 h GLN 98 N 0.18 0.89 -0.90 1.90 4.20 -1.21 0.13 115.11 120.30 2fa4 h GLN 98 Ca 0.17 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 2fa4 h GLN 98 Cb 0.21 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 2fa4 h GLN 98 CO -0.24 0.62 0.50 0.00 -0.67 0.00 0.00 178.83 179.03 2fa4 h ALA 99 N 1.22 1.15 0.20 3.87 0.00 -1.22 -1.64 119.26 122.85 2fa4 h ALA 99 Ca 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2fa4 h ALA 99 Cb -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.38 2fa4 h ALA 99 CO -0.05 0.65 -0.10 0.82 0.00 0.00 0.00 179.25 180.58 2fa4 h ILE 100 N 1.25 0.89 -0.66 0.00 2.04 -0.73 -3.02 117.51 117.29 2fa4 h ILE 100 Ca 0.32 -0.72 0.14 0.00 1.00 0.00 0.00 64.86 65.59 2fa4 h ILE 100 Cb 0.02 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2fa4 h ILE 100 CO -0.05 0.16 0.45 0.00 0.00 0.00 0.00 178.15 178.70 2fa4 h ALA 101 N 0.05 2.17 0.00 1.87 0.00 -0.66 0.26 119.26 122.96 2fa4 h ALA 101 Ca -0.03 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2fa4 h ALA 101 Cb 0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2fa4 h ALA 101 CO 0.04 -0.35 -0.73 0.77 0.00 0.00 0.00 179.25 178.99 2fa4 h SER 102 N 0.32 0.00 -0.00 0.00 0.02 -1.30 -3.34 113.55 109.24 2fa4 h SER 102 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2fa4 h SER 102 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2fa4 h SER 102 CO -0.08 0.73 -0.17 0.59 -1.14 0.00 0.00 176.83 176.76 2fa4 n ASN 103 N -3.56 0.98 0.00 3.07 4.13 -0.66 -5.11 115.26 114.11 2fa4 n ASN 103 Ca -0.00 -0.99 0.00 0.00 1.68 0.00 0.00 54.58 55.27 2fa4 n ASN 103 Cb 0.74 0.51 0.00 0.00 -1.54 0.00 0.00 39.78 39.49 2fa4 n ASN 103 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09