#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fug n ARG 16 N 0.00 0.00 0.00 5.31 0.00 -1.26 -2.11 116.66 118.60 2fug n ARG 16 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 2fug n ARG 16 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 32.46 32.23 2fug n ARG 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2fug n GLU 17 N -0.41 0.73 -2.80 -0.14 1.02 -1.26 -3.82 120.64 113.96 2fug n GLU 17 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2fug n GLU 17 Cb 0.00 -1.33 -0.06 0.00 -0.02 0.00 0.00 31.44 30.03 2fug n GLU 17 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2fug s GLY 18 N -0.07 2.34 0.41 0.62 0.00 -0.90 -4.86 107.32 104.86 2fug s GLY 18 Ca 0.00 0.33 0.18 0.00 0.00 0.00 0.00 44.72 45.23 2fug s GLY 18 CO 0.00 0.60 1.81 -2.22 0.00 0.00 0.00 173.10 173.29 2fug h ILE 19 N 1.77 0.60 0.68 0.90 2.04 -1.90 -0.26 117.51 121.35 2fug h ILE 19 Ca -0.49 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 2fug h ILE 19 Cb 1.18 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2fug h ILE 19 CO 0.62 0.08 -0.32 0.25 0.00 0.00 0.00 178.15 178.77 2fug h LEU 20 N 0.41 -0.77 -0.99 1.44 5.85 -1.92 -0.13 115.31 119.21 2fug h LEU 20 Ca 0.53 0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.29 2fug h LEU 20 Cb 1.34 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.52 2fug h LEU 20 CO -0.23 -0.54 0.65 0.15 -0.34 0.00 0.00 178.44 178.12 2fug h PHE 21 N -0.92 1.25 0.30 1.25 3.57 -1.71 -2.75 116.94 117.93 2fug h PHE 21 Ca -0.09 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 2fug h PHE 21 Cb 0.70 -0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2fug h PHE 21 CO 0.07 0.79 -0.15 1.15 -2.23 0.00 0.00 178.31 177.94 2fug h THR 22 N 1.34 0.00 0.00 4.41 2.02 -1.03 -2.23 112.91 117.41 2fug h THR 22 Ca 0.36 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.52 2fug h THR 22 Cb -0.15 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.26 2fug h THR 22 CO -0.08 0.00 0.34 0.74 0.37 0.00 0.00 175.52 176.89 2fug h THR 23 N -0.43 0.00 0.02 3.16 2.02 -1.06 -0.32 112.91 116.30 2fug h THR 23 Ca -0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 2fug h THR 23 Cb 0.31 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2fug h THR 23 CO 0.07 0.00 -0.01 0.25 0.37 0.00 0.00 175.52 176.20 2fug h LEU 24 N 0.00 -0.03 -1.30 2.58 5.85 -1.24 -2.21 115.31 118.97 2fug h LEU 24 Ca 0.00 0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.92 2fug h LEU 24 Cb 0.67 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.63 2fug h LEU 24 CO 0.00 0.01 0.61 1.05 -0.34 0.00 0.00 178.44 179.77 2fug h GLU 25 N -0.10 0.55 -0.06 1.25 4.11 -0.89 0.75 114.58 120.19 2fug h GLU 25 Ca -0.00 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 59.32 2fug h GLU 25 Cb 0.02 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2fug h GLU 25 CO 0.01 0.36 -0.32 1.57 0.07 0.00 0.00 179.01 180.69 2fug h LYS 26 N 0.56 0.11 0.04 1.06 5.09 -1.18 0.80 116.57 123.05 2fug h LYS 26 Ca 0.52 -0.04 -0.25 0.00 0.09 0.00 0.00 60.65 60.97 2fug h LYS 26 Cb 1.07 -0.01 0.01 0.00 0.10 0.00 0.00 32.23 33.40 2fug h LYS 26 CO -0.26 0.42 -1.05 1.25 -2.09 0.00 0.00 179.45 177.73 2fug h LEU 27 N 0.10 0.63 0.50 7.07 5.85 0.85 -2.50 115.31 127.80 2fug h LEU 27 Ca 0.01 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 2fug h LEU 27 Cb 0.62 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2fug h LEU 27 CO 0.05 1.35 -0.24 0.58 -0.34 0.00 0.00 178.44 179.84 2fug h VAL 28 N 0.24 0.48 -0.35 1.05 2.07 0.13 -2.44 116.25 117.42 2fug h VAL 28 Ca -0.11 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.23 2fug h VAL 28 Cb 1.70 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.98 2fug h VAL 28 CO 0.19 0.04 -0.14 0.00 0.02 0.00 0.00 177.57 177.68 2fug h ALA 29 N -0.40 0.15 -1.00 1.67 0.00 0.51 0.48 119.26 120.66 2fug h ALA 29 Ca -0.07 0.13 0.24 0.00 0.00 0.00 0.00 54.91 55.21 2fug h ALA 29 Cb 0.58 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 2fug h ALA 29 CO 0.11 -0.52 0.64 2.35 0.00 0.00 0.00 179.25 181.84 2fug h TRP 30 N -0.08 0.70 0.38 0.00 2.91 -1.41 0.61 115.95 119.07 2fug h TRP 30 Ca 0.18 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.20 2fug h TRP 30 Cb 0.35 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 2fug h TRP 30 CO -0.37 0.11 -0.18 0.78 -1.03 0.00 0.00 178.44 177.75 2fug h GLY 31 N 0.46 -0.53 1.57 2.65 0.00 0.30 -2.87 103.07 104.65 2fug h GLY 31 Ca 0.57 0.20 0.00 0.00 0.00 0.00 0.00 47.33 48.09 2fug h GLY 31 CO -0.29 -0.19 0.07 -2.13 0.00 0.00 0.00 176.54 174.00 2fug n ARG 32 N -4.00 0.00 -0.08 4.80 0.63 0.53 -0.17 116.66 118.37 2fug n ARG 32 Ca -0.06 0.37 -0.05 0.00 -0.92 0.00 0.00 57.85 57.18 2fug n ARG 32 Cb 0.20 -1.57 0.15 0.00 0.45 0.00 0.00 32.46 31.70 2fug n ARG 32 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2fug h SER 33 N 0.00 0.72 -0.02 6.15 0.87 0.43 -3.17 113.55 118.53 2fug h SER 33 Ca 0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2fug h SER 33 Cb 0.14 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2fug h SER 33 CO 0.00 0.84 -0.26 0.59 -0.53 0.00 0.00 176.83 177.47 2fug n ASN 34 N -4.18 2.18 -2.12 6.23 4.13 0.76 -4.22 115.26 118.05 2fug n ASN 34 Ca 0.01 -1.59 -0.24 0.00 1.68 0.00 0.00 54.58 54.45 2fug n ASN 34 Cb 0.35 0.30 0.13 0.00 -1.54 0.00 0.00 39.78 39.02 2fug n ASN 34 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2fug n SER 35 N 0.39 4.68 -4.70 6.41 3.41 -1.18 -4.94 113.62 117.69 2fug n SER 35 Ca 0.10 -3.47 -0.42 0.00 -0.26 0.00 0.00 58.87 54.82 2fug n SER 35 Cb 0.45 -0.85 -0.03 0.00 -0.26 0.00 0.00 64.21 63.52 2fug n SER 35 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2fug s LEU 36 N -3.02 4.34 -0.65 1.04 1.43 -1.25 -5.00 118.68 115.57 2fug s LEU 36 Ca 0.52 1.66 -0.01 0.00 -1.03 0.00 0.00 54.13 55.27 2fug s LEU 36 Cb 0.43 -3.57 0.16 0.00 0.03 0.00 0.00 46.19 43.24 2fug s LEU 36 CO 0.07 -0.33 0.46 0.86 0.23 0.00 0.00 176.35 177.63 2fug s TRP 37 N 1.29 3.43 -0.28 0.29 -0.00 -1.26 -5.06 118.94 117.35 2fug s TRP 37 Ca 0.52 -2.90 -0.35 0.00 -0.00 0.00 0.00 56.10 53.36 2fug s TRP 37 Cb -0.21 -3.09 -0.12 0.00 -0.00 0.00 0.00 33.47 30.05 2fug s TRP 37 CO 0.26 -0.78 2.05 -2.30 -0.00 0.00 0.00 176.95 176.17 2fug n PRO 38 N 3.12 1.36 -3.65 5.86 -0.02 -1.26 -3.27 135.00 137.15 2fug n PRO 38 Ca 0.10 0.43 -0.29 0.00 -2.02 0.00 0.00 63.50 61.72 2fug n PRO 38 Cb 0.36 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.27 2fug n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fug n ALA 39 N 8.52 3.80 -1.63 3.55 0.00 -0.92 -5.01 120.51 128.83 2fug n ALA 39 Ca 0.34 -4.65 -0.47 0.00 0.00 0.00 0.00 53.44 48.66 2fug n ALA 39 Cb 0.24 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 2fug n ALA 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2fug n THR 40 N 1.55 0.72 -3.22 0.00 5.66 -1.26 -3.42 114.28 114.31 2fug n THR 40 Ca 0.24 -0.18 -0.25 0.00 -3.05 0.00 0.00 64.05 60.82 2fug n THR 40 Cb 0.37 -1.20 -0.06 0.00 -1.55 0.00 0.00 70.33 67.89 2fug n THR 40 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2fug n PHE 41 N 2.01 1.91 -1.84 1.09 7.35 0.15 -4.89 117.46 123.24 2fug n PHE 41 Ca 0.14 -3.89 -0.31 0.00 -0.76 0.00 0.00 57.45 52.63 2fug n PHE 41 Cb 0.27 -0.46 0.02 0.00 0.35 0.00 0.00 39.48 39.67 2fug n PHE 41 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2fug s GLY 42 N -2.26 1.80 0.00 7.13 0.00 -1.26 -3.38 107.32 109.35 2fug s GLY 42 Ca 0.40 0.11 0.00 0.00 0.00 0.00 0.00 44.72 45.23 2fug s GLY 42 CO -0.08 0.41 0.00 1.04 0.00 0.00 0.00 173.10 174.47 2fug n LEU 43 N -2.63 0.00 0.00 0.66 4.77 0.71 -4.90 117.00 115.62 2fug n LEU 43 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2fug n LEU 43 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2fug n LEU 43 CO 0.53 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.59 2fug n ALA 44 N -2.64 0.00 -0.33 -1.18 0.00 -1.26 -4.62 120.51 110.48 2fug n ALA 44 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 2fug n ALA 44 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.88 2fug n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fug h ALA 47 N 1.43 2.24 0.18 0.00 0.00 -0.96 -0.48 119.26 121.67 2fug h ALA 47 Ca 0.37 0.16 -0.31 0.00 0.00 0.00 0.00 54.91 55.14 2fug h ALA 47 Cb 0.33 0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.31 2fug h ALA 47 CO -0.24 -0.86 -1.39 0.82 0.00 0.00 0.00 179.25 177.58 2fug h ILE 48 N 0.22 1.35 0.00 0.00 5.03 -1.44 -3.26 117.51 119.42 2fug h ILE 48 Ca 0.76 -2.87 0.00 0.00 -0.12 0.00 0.00 64.86 62.63 2fug h ILE 48 Cb 1.99 2.96 0.00 0.00 -3.03 0.00 0.00 36.82 38.74 2fug h ILE 48 CO -0.54 0.85 0.00 1.21 -0.68 0.00 0.00 178.15 179.00 2fug n GLU 49 N -3.60 0.00 0.01 2.37 4.07 -0.32 -2.72 120.64 120.45 2fug n GLU 49 Ca -0.13 0.02 0.11 0.00 -0.06 0.00 0.00 57.16 57.10 2fug n GLU 49 Cb 1.06 -1.50 0.08 0.00 -0.06 0.00 0.00 31.44 31.02 2fug n GLU 49 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2fug n MET 50 N -1.50 0.10 0.05 5.31 0.00 -0.41 -3.92 117.12 116.74 2fug n MET 50 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 57.70 57.90 2fug n MET 50 Cb 0.33 -1.53 0.51 0.00 0.00 0.00 0.00 33.22 32.53 2fug n MET 50 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2fug n MET 51 N -1.66 0.11 -0.22 3.17 2.81 -1.10 -3.04 117.12 117.18 2fug n MET 51 Ca 0.04 0.12 0.03 0.00 -1.81 0.00 0.00 57.70 56.09 2fug n MET 51 Cb 0.37 -1.63 0.13 0.00 -0.71 0.00 0.00 33.22 31.38 2fug n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fug n ALA 52 N -1.62 2.71 0.22 3.04 0.00 -1.25 -2.85 120.51 120.77 2fug n ALA 52 Ca 0.06 -0.57 0.04 0.00 0.00 0.00 0.00 53.44 52.97 2fug n ALA 52 Cb 0.35 -1.01 0.06 0.00 0.00 0.00 0.00 19.45 18.85 2fug n ALA 52 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2fug n SER 53 N 0.25 1.99 -3.46 0.00 7.64 -1.17 -4.69 113.62 114.19 2fug n SER 53 Ca 0.09 -1.54 -0.41 0.00 1.01 0.00 0.00 58.87 58.03 2fug n SER 53 Cb 0.40 -0.05 0.02 0.00 -1.01 0.00 0.00 64.21 63.57 2fug n SER 53 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2fug n THR 54 N 0.43 5.49 -3.45 0.44 -1.04 -1.13 -4.93 114.28 110.09 2fug n THR 54 Ca 0.06 -5.56 -0.43 0.00 -2.04 0.00 0.00 64.05 56.08 2fug n THR 54 Cb 0.26 -1.47 -0.07 0.00 -1.82 0.00 0.00 70.33 67.23 2fug n THR 54 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2fug s ASP 55 N -1.28 5.93 0.00 8.00 2.15 -1.26 -5.14 116.67 125.07 2fug s ASP 55 Ca 0.42 -1.89 0.00 0.00 0.43 0.00 0.00 52.55 51.52 2fug s ASP 55 Cb 0.25 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 2fug s ASP 55 CO -0.20 -0.76 0.00 0.00 -0.17 0.00 0.00 175.17 174.04 2fug n ALA 56 N 5.02 0.00 0.00 3.66 0.00 -1.26 -5.24 120.51 122.69 2fug n ALA 56 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2fug n ALA 56 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2fug n ALA 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2fug n GLN 74 N 0.00 0.00 -4.11 0.00 1.13 -1.26 -5.32 117.38 107.83 2fug n GLN 74 Ca 0.00 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.91 2fug n GLN 74 Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.22 2fug n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2fug s ALA 75 N 0.00 0.43 0.30 -1.58 0.00 -1.26 -5.00 121.76 114.66 2fug s ALA 75 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.63 2fug s ALA 75 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2fug s ALA 75 CO 0.00 0.06 0.17 0.16 0.00 0.00 0.00 175.76 176.15 2fug s ASP 76 N -0.55 1.47 -0.56 0.00 -4.77 -1.20 -4.46 116.67 106.60 2fug s ASP 76 Ca -0.02 -1.57 -0.13 0.00 -3.30 0.00 0.00 52.55 47.53 2fug s ASP 76 Cb -0.04 0.40 0.02 0.00 -1.09 0.00 0.00 42.92 42.21 2fug s ASP 76 CO -0.00 -0.90 0.64 0.52 0.70 0.00 0.00 175.17 176.13 2fug n VAL 77 N -0.57 -9.22 -3.30 2.11 0.31 -1.25 -3.88 118.33 102.54 2fug n VAL 77 Ca 0.02 0.38 -0.38 0.00 -0.01 0.00 0.00 64.34 64.35 2fug n VAL 77 Cb 0.65 -6.32 -0.06 0.00 -0.91 0.00 0.00 33.84 27.20 2fug n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2fug s MET 78 N -2.90 4.32 -0.23 5.55 0.23 -0.52 -2.17 119.30 123.59 2fug s MET 78 Ca 0.18 0.49 -0.12 0.00 -1.03 0.00 0.00 55.69 55.20 2fug s MET 78 Cb -0.04 -3.42 -0.05 0.00 -1.53 0.00 0.00 34.83 29.79 2fug s MET 78 CO 0.79 0.20 0.24 0.42 -2.03 0.00 0.00 175.02 174.63 2fug s ILE 79 N 0.49 5.30 -0.40 3.16 1.01 -1.22 -2.73 121.20 126.81 2fug s ILE 79 Ca 0.27 0.35 -0.16 0.00 0.00 0.00 0.00 60.65 61.11 2fug s ILE 79 Cb -0.16 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.75 2fug s ILE 79 CO 0.11 0.31 0.36 -0.69 0.00 0.00 0.00 174.94 175.03 2fug s VAL 80 N 1.19 5.18 -0.47 2.92 1.01 -0.12 -0.68 120.40 129.43 2fug s VAL 80 Ca 0.11 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.69 2fug s VAL 80 Cb -0.14 -3.95 0.13 0.00 0.00 0.00 0.00 36.38 32.42 2fug s VAL 80 CO 0.06 -0.31 0.23 0.00 0.00 0.00 0.00 175.10 175.08 2fug s ALA 81 N 1.90 2.80 0.00 5.51 0.00 -1.22 0.85 121.76 131.60 2fug s ALA 81 Ca 0.09 -2.94 0.00 0.00 0.00 0.00 0.00 51.96 49.11 2fug s ALA 81 Cb -0.18 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 20.91 2fug s ALA 81 CO 0.12 -2.01 0.00 0.41 0.00 0.00 0.00 175.76 174.28 2fug n GLY 82 N 3.38 0.82 3.62 0.00 0.00 -1.26 -0.20 105.19 111.55 2fug n GLY 82 Ca 0.06 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 2fug n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2fug s ARG 83 N -1.36 3.81 -0.95 1.61 1.70 -1.26 -3.04 118.95 119.47 2fug s ARG 83 Ca 0.00 1.26 -0.22 0.00 -0.47 0.00 0.00 55.73 56.30 2fug s ARG 83 Cb 0.00 -3.94 0.08 0.00 -0.57 0.00 0.00 34.95 30.51 2fug s ARG 83 CO 0.00 -1.25 1.31 -1.17 -1.08 0.00 0.00 175.30 173.10 2fug s LEU 84 N 4.78 4.01 0.81 -1.89 1.98 -1.26 -4.76 118.68 122.35 2fug s LEU 84 Ca 0.60 -1.53 -0.13 0.00 -2.89 0.00 0.00 54.13 50.18 2fug s LEU 84 Cb -0.18 -2.51 0.07 0.00 0.66 0.00 0.00 46.19 44.24 2fug s LEU 84 CO 0.26 -1.39 1.09 -0.24 -1.89 0.00 0.00 176.35 174.18 2fug n SER 85 N 8.12 0.61 0.19 3.68 2.88 -1.26 -2.55 113.62 125.29 2fug n SER 85 Ca 0.26 0.57 0.05 0.00 -1.33 0.00 0.00 58.87 58.41 2fug n SER 85 Cb 0.50 -1.46 0.37 0.00 -0.75 0.00 0.00 64.21 62.87 2fug n SER 85 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2fug h LYS 86 N -0.92 0.00 -0.03 -1.46 1.57 -1.79 0.26 116.57 114.20 2fug h LYS 86 Ca -0.46 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.20 2fug h LYS 86 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 2fug h LYS 86 CO 0.45 0.37 -0.56 -0.22 -0.57 0.00 0.00 179.45 178.92 2fug h LYS 87 N 0.00 0.09 0.02 3.15 3.64 -1.90 -2.85 116.57 118.72 2fug h LYS 87 Ca -0.00 -0.06 -0.23 0.00 -1.27 0.00 0.00 60.65 59.09 2fug h LYS 87 Cb 0.79 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 2fug h LYS 87 CO 0.05 0.63 -1.12 1.98 -2.27 0.00 0.00 179.45 178.72 2fug h MET 88 N 0.07 0.04 0.00 1.90 4.05 -1.71 -3.40 114.93 115.88 2fug h MET 88 Ca -0.00 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2fug h MET 88 Cb 1.01 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 2fug h MET 88 CO 0.08 0.98 0.00 0.00 0.23 0.00 0.00 176.91 178.20 2fug n ALA 89 N -2.40 0.00 -0.41 0.39 0.00 0.84 -0.89 120.51 118.04 2fug n ALA 89 Ca -0.03 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.75 2fug n ALA 89 Cb 0.96 0.48 0.67 0.00 0.00 0.00 0.00 19.45 21.56 2fug n ALA 89 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2fug h PRO 90 N 0.00 0.13 0.38 0.00 0.13 -1.77 -1.77 132.00 129.10 2fug h PRO 90 Ca 0.00 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 2fug h PRO 90 Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 2fug h PRO 90 CO 0.00 0.09 -0.18 0.28 -0.23 0.00 0.00 178.00 177.95 2fug h VAL 91 N 0.13 0.53 -0.99 1.56 2.07 -1.25 -2.38 116.25 115.92 2fug h VAL 91 Ca 0.69 -0.57 0.22 0.00 0.82 0.00 0.00 66.70 67.87 2fug h VAL 91 Cb 2.34 0.76 -0.09 0.00 -1.52 0.00 0.00 31.29 32.78 2fug h VAL 91 CO -0.20 0.09 0.63 -0.03 0.02 0.00 0.00 177.57 178.08 2fug h MET 92 N -0.88 0.51 0.00 1.57 1.85 -0.83 -1.31 114.93 115.85 2fug h MET 92 Ca -0.05 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 2fug h MET 92 Cb 0.54 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 32.46 2fug h MET 92 CO 0.09 0.34 0.00 -2.13 -0.40 0.00 0.00 176.91 174.81 2fug n ARG 93 N -4.65 0.00 -0.46 0.39 3.00 -1.02 -1.31 116.66 112.60 2fug n ARG 93 Ca 0.23 0.60 0.41 0.00 -0.00 0.00 0.00 57.85 59.09 2fug n ARG 93 Cb 0.72 -1.47 0.76 0.00 0.00 0.00 0.00 32.46 32.48 2fug n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2fug h ARG 94 N 0.00 0.02 0.00 -0.14 3.08 -0.84 1.82 114.38 118.32 2fug h ARG 94 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2fug h ARG 94 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2fug h ARG 94 CO 0.00 0.01 0.00 0.28 -1.07 0.00 0.00 179.97 179.19 2fug h VAL 95 N 0.02 0.00 0.00 2.04 2.07 -0.79 -2.84 116.25 116.75 2fug h VAL 95 Ca 0.71 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 2fug h VAL 95 Cb 2.78 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 34.33 2fug h VAL 95 CO -0.04 0.00 -0.58 -0.25 0.02 0.00 0.00 177.57 176.72 2fug h TRP 96 N 0.00 0.00 -1.06 1.57 7.01 0.41 -3.35 115.95 120.52 2fug h TRP 96 Ca 0.00 0.00 0.29 0.00 2.11 0.00 0.00 58.89 61.29 2fug h TRP 96 Cb 0.86 0.00 -0.11 0.00 -2.10 0.00 0.00 29.16 27.81 2fug h TRP 96 CO 0.00 0.62 0.66 0.93 -2.79 0.00 0.00 178.44 177.85 2fug h GLU 97 N -1.00 0.38 -1.97 2.65 5.08 -1.18 -1.49 114.58 117.05 2fug h GLU 97 Ca -0.11 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 57.95 2fug h GLU 97 Cb 0.74 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.80 2fug h GLU 97 CO -0.07 0.25 -0.07 0.94 -1.00 0.00 0.00 179.01 179.07 2fug n GLN 98 N -4.77 2.02 -4.30 2.33 7.27 -1.07 -4.82 117.38 114.04 2fug n GLN 98 Ca 0.28 -1.36 -0.16 0.00 0.07 0.00 0.00 57.00 55.83 2fug n GLN 98 Cb 0.93 -1.93 -0.10 0.00 2.41 0.00 0.00 30.24 31.54 2fug n GLN 98 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 2fug s MET 99 N -0.09 1.30 -0.03 3.69 -1.94 -0.56 -4.97 119.30 116.69 2fug s MET 99 Ca 0.56 -1.67 -0.30 0.00 -1.71 0.00 0.00 55.69 52.58 2fug s MET 99 Cb 0.31 -0.39 -0.03 0.00 2.01 0.00 0.00 34.83 36.72 2fug s MET 99 CO -0.07 -0.18 1.08 -1.25 -0.01 0.00 0.00 175.02 174.60 2fug s PRO 100 N -3.94 4.45 0.19 2.03 0.04 -1.26 -4.96 135.00 131.56 2fug s PRO 100 Ca 0.30 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 2fug s PRO 100 Cb 0.07 -3.48 0.39 0.00 0.04 0.00 0.00 34.50 31.52 2fug s PRO 100 CO 0.09 -0.25 1.03 -3.47 0.04 0.00 0.00 177.00 174.44 2fug n ASP 101 N 4.48 -0.17 -4.15 6.66 -0.08 -1.26 -3.16 116.55 118.87 2fug n ASP 101 Ca 0.08 1.13 -0.36 0.00 -1.51 0.00 0.00 54.79 54.13 2fug n ASP 101 Cb 0.48 -0.37 -0.05 0.00 2.34 0.00 0.00 41.12 43.52 2fug n ASP 101 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2fug n PRO 102 N -4.99 1.71 -4.53 -0.67 -0.02 -1.26 -4.84 135.00 120.40 2fug n PRO 102 Ca 0.13 -2.26 -0.25 0.00 -2.02 0.00 0.00 63.50 59.09 2fug n PRO 102 Cb 0.41 -3.36 -0.10 0.00 -0.02 0.00 0.00 33.50 30.44 2fug n PRO 102 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2fug s LYS 103 N 5.59 1.84 0.20 -0.52 -2.85 -1.19 -4.77 119.74 118.04 2fug s LYS 103 Ca 0.62 -2.07 -0.05 0.00 -1.00 0.00 0.00 55.97 53.47 2fug s LYS 103 Cb 0.07 -0.98 -0.03 0.00 -2.06 0.00 0.00 37.83 34.83 2fug s LYS 103 CO 0.12 -0.27 0.23 -1.58 0.10 0.00 0.00 175.35 173.95 2fug s TRP 104 N -3.15 0.84 -0.04 1.78 0.51 -1.26 -4.59 118.94 113.04 2fug s TRP 104 Ca 0.29 -1.13 -0.01 0.00 -2.12 0.00 0.00 56.10 53.13 2fug s TRP 104 Cb 0.06 -0.30 0.03 0.00 -0.81 0.00 0.00 33.47 32.45 2fug s TRP 104 CO 0.14 -0.73 0.07 0.08 -0.51 0.00 0.00 176.95 175.99 2fug s VAL 105 N -4.09 -0.10 -0.12 4.03 1.01 -1.26 -1.43 120.40 118.44 2fug s VAL 105 Ca 0.31 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.62 2fug s VAL 105 Cb 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 36.38 36.28 2fug s VAL 105 CO 0.09 0.13 -0.20 -0.63 0.00 0.00 0.00 175.10 174.49 2fug s ILE 106 N 1.59 2.37 -0.36 2.22 1.01 -1.11 -0.35 121.20 126.58 2fug s ILE 106 Ca -0.03 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.57 2fug s ILE 106 Cb -0.12 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 2fug s ILE 106 CO -0.04 0.55 0.36 -0.94 0.00 0.00 0.00 174.94 174.87 2fug s SER 107 N 0.43 6.17 -0.12 3.58 1.04 -0.20 -0.95 113.70 123.65 2fug s SER 107 Ca -0.15 -0.33 -0.28 0.00 0.48 0.00 0.00 55.95 55.67 2fug s SER 107 Cb -0.17 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 63.74 2fug s SER 107 CO 0.06 -0.37 0.95 -0.32 0.98 0.00 0.00 173.24 174.54 2fug s MET 108 N 2.00 4.39 0.26 4.02 1.75 0.25 -0.53 119.30 131.44 2fug s MET 108 Ca 0.11 1.27 0.00 0.00 -1.25 0.00 0.00 55.69 55.82 2fug s MET 108 Cb -0.17 -3.55 0.00 0.00 2.84 0.00 0.00 34.83 33.96 2fug s MET 108 CO 0.12 -0.30 0.00 0.41 -0.65 0.00 0.00 175.02 174.60 2fug n GLY 109 N 3.19 -1.43 0.00 2.11 0.00 0.60 -4.06 105.19 105.59 2fug n GLY 109 Ca 0.07 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2fug n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fug n ALA 110 N -2.15 0.00 0.00 4.61 0.00 0.14 -1.73 120.51 121.38 2fug n ALA 110 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2fug n ALA 110 Cb 0.62 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.14 2fug n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fug h ALA 112 N 0.00 -0.76 -3.00 0.00 0.00 -1.50 -3.38 119.26 110.62 2fug h ALA 112 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2fug h ALA 112 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2fug h ALA 112 CO 0.00 -0.71 0.00 0.43 0.00 0.00 0.00 179.25 178.97 2fug n SER 113 N -5.10 0.00 -5.01 0.00 7.64 0.36 -0.97 113.62 110.53 2fug n SER 113 Ca -0.09 0.45 -0.19 0.00 1.01 0.00 0.00 58.87 60.05 2fug n SER 113 Cb 0.29 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.53 2fug n SER 113 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2fug s SER 114 N -2.53 5.31 0.00 6.43 1.04 0.08 -3.88 113.70 120.15 2fug s SER 114 Ca 0.00 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.79 2fug s SER 114 Cb 0.00 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2fug s SER 114 CO 0.00 -1.12 0.18 0.61 0.98 0.00 0.00 173.24 173.89 2fug n GLY 115 N -2.11 0.47 7.00 7.32 0.00 0.39 -3.60 105.19 114.66 2fug n GLY 115 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2fug n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fug n GLY 116 N 0.50 2.10 1.37 -0.02 0.00 -1.26 -1.58 105.19 106.31 2fug n GLY 116 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 2fug n GLY 116 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2fug n MET 117 N 9.40 2.78 -3.77 1.61 0.00 -1.26 -4.76 117.12 121.12 2fug n MET 117 Ca 0.00 -3.03 -0.29 0.00 0.00 0.00 0.00 57.70 54.37 2fug n MET 117 Cb 0.00 -1.96 -0.13 0.00 0.00 0.00 0.00 33.22 31.12 2fug n MET 117 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2fug s PHE 118 N -3.04 2.33 -0.57 3.17 0.08 -0.62 -5.04 117.98 114.30 2fug s PHE 118 Ca 0.48 -2.65 -0.21 0.00 0.12 0.00 0.00 56.93 54.66 2fug s PHE 118 Cb 0.40 -2.13 0.07 0.00 -0.57 0.00 0.00 43.02 40.78 2fug s PHE 118 CO 0.08 -0.76 0.78 -0.80 -0.10 0.00 0.00 175.22 174.42 2fug s ASN 119 N 0.09 6.23 0.12 1.36 -0.87 -1.26 -4.78 114.94 115.83 2fug s ASN 119 Ca 0.18 -0.93 -0.26 0.00 -1.57 0.00 0.00 52.86 50.28 2fug s ASN 119 Cb -0.23 -2.35 0.07 0.00 -0.02 0.00 0.00 41.25 38.72 2fug s ASN 119 CO -0.01 -1.14 0.93 0.54 -2.57 0.00 0.00 177.10 174.85 2fug s ASN 120 N 3.16 -0.23 0.51 -1.22 4.22 -1.26 -5.01 114.94 115.11 2fug s ASN 120 Ca 0.19 -0.30 0.24 0.00 -2.14 0.00 0.00 52.86 50.85 2fug s ASN 120 Cb -0.18 0.47 1.33 0.00 1.28 0.00 0.00 41.25 44.15 2fug s ASN 120 CO 0.12 -0.84 1.97 0.10 -2.04 0.00 0.00 177.10 176.41 2fug h TYR 121 N 2.00 0.10 -0.32 1.54 -0.00 -2.04 -2.99 116.97 115.25 2fug h TYR 121 Ca -0.24 0.00 -0.08 0.00 -0.00 0.00 0.00 58.73 58.42 2fug h TYR 121 Cb 1.24 -0.03 -0.01 0.00 -0.00 0.00 0.00 36.73 37.92 2fug h TYR 121 CO 0.35 0.04 -0.09 0.00 -0.00 0.00 0.00 178.16 178.45 2fug h ALA 122 N 1.70 0.45 -2.43 0.10 0.00 -1.95 -3.46 119.26 113.66 2fug h ALA 122 Ca 0.29 -0.30 -0.58 0.00 0.00 0.00 0.00 54.91 54.32 2fug h ALA 122 Cb 1.04 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 2fug h ALA 122 CO -0.03 0.30 -0.66 0.42 0.00 0.00 0.00 179.25 179.28 2fug s ILE 123 N -4.74 3.44 0.23 0.00 1.01 -1.13 -2.33 121.20 117.67 2fug s ILE 123 Ca -0.13 -1.80 -0.29 0.00 0.00 0.00 0.00 60.65 58.43 2fug s ILE 123 Cb 0.09 -2.80 -0.09 0.00 0.01 0.00 0.00 42.46 39.67 2fug s ILE 123 CO 0.79 -0.29 0.90 -0.69 0.00 0.00 0.00 174.94 175.65 2fug s VAL 124 N -2.14 4.14 0.14 2.92 1.01 -1.06 -4.64 120.40 120.78 2fug s VAL 124 Ca 0.30 2.00 0.22 0.00 0.00 0.00 0.00 61.98 64.50 2fug s VAL 124 Cb -0.07 -4.28 0.20 0.00 0.00 0.00 0.00 36.38 32.23 2fug s VAL 124 CO 0.19 0.50 1.79 1.56 0.00 0.00 0.00 175.10 179.14 2fug h GLN 125 N 4.17 0.00 -1.06 2.72 1.08 -1.90 -3.41 115.11 116.71 2fug h GLN 125 Ca -0.45 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 56.88 2fug h GLN 125 Cb 1.20 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.42 2fug h GLN 125 CO 0.67 0.27 -0.06 1.21 -0.95 0.00 0.00 178.83 179.98 2fug s ASN 126 N -6.27 -0.98 0.56 1.46 3.84 -1.26 0.15 114.94 112.43 2fug s ASN 126 Ca 0.00 0.88 0.44 0.00 0.21 0.00 0.00 52.86 54.39 2fug s ASN 126 Cb 0.10 1.93 1.64 0.00 -0.55 0.00 0.00 41.25 44.37 2fug s ASN 126 CO 0.65 -0.18 1.66 0.58 -2.79 0.00 0.00 177.10 177.02 2fug h VAL 127 N 5.76 0.17 0.00 -5.21 2.07 -1.17 1.15 116.25 119.02 2fug h VAL 127 Ca -0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2fug h VAL 127 Cb 1.14 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2fug h VAL 127 CO 0.11 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 177.03 2fug n ASP 128 N -4.00 0.00 0.00 0.57 2.03 -1.25 -0.87 116.55 113.03 2fug n ASP 128 Ca 0.36 0.02 0.13 0.00 0.52 0.00 0.00 54.79 55.82 2fug n ASP 128 Cb 1.69 -0.12 0.50 0.00 -0.72 0.00 0.00 41.12 42.47 2fug n ASP 128 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2fug n SER 129 N -1.12 0.17 0.05 1.67 7.64 0.40 -4.43 113.62 118.00 2fug n SER 129 Ca 0.03 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2fug n SER 129 Cb 0.02 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2fug n SER 129 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2fug n VAL 130 N -1.53 0.44 -4.34 0.44 0.24 -0.04 -5.04 118.33 108.49 2fug n VAL 130 Ca 0.06 0.15 -0.34 0.00 -2.04 0.00 0.00 64.34 62.17 2fug n VAL 130 Cb 0.34 -1.15 -0.14 0.00 -1.47 0.00 0.00 33.84 31.42 2fug n VAL 130 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2fug s VAL 131 N -2.00 3.22 0.03 3.34 -7.23 -0.89 -5.03 120.40 111.83 2fug s VAL 131 Ca 0.00 -0.58 -0.34 0.00 -1.81 0.00 0.00 61.98 59.26 2fug s VAL 131 Cb 0.00 -2.41 -0.13 0.00 0.56 0.00 0.00 36.38 34.41 2fug s VAL 131 CO 0.00 0.48 1.74 -2.65 -0.31 0.00 0.00 175.10 174.36 2fug n PRO 132 N 4.10 2.19 -3.66 4.82 -0.02 -1.26 -3.85 135.00 137.32 2fug n PRO 132 Ca -0.18 0.80 -0.37 0.00 -2.02 0.00 0.00 63.50 61.73 2fug n PRO 132 Cb 0.52 -2.61 -0.06 0.00 -0.02 0.00 0.00 33.50 31.33 2fug n PRO 132 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2fug s VAL 133 N 2.61 5.22 -0.21 -1.45 1.01 -1.26 -4.30 120.40 122.02 2fug s VAL 133 Ca 0.86 0.50 0.07 0.00 0.00 0.00 0.00 61.98 63.41 2fug s VAL 133 Cb -0.68 -3.59 -0.18 0.00 0.00 0.00 0.00 36.38 31.94 2fug s VAL 133 CO 0.45 0.52 -0.10 0.47 0.00 0.00 0.00 175.10 176.44 2fug n ASP 134 N 1.63 1.60 -3.70 3.32 8.00 0.53 -4.95 116.55 122.97 2fug n ASP 134 Ca -0.14 -0.07 -0.16 0.00 0.71 0.00 0.00 54.79 55.12 2fug n ASP 134 Cb 0.53 0.16 -0.15 0.00 -0.02 0.00 0.00 41.12 41.64 2fug n ASP 134 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2fug s VAL 135 N -2.44 -0.16 -0.07 2.53 1.01 -1.08 -5.00 120.40 115.19 2fug s VAL 135 Ca -0.22 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 2fug s VAL 135 Cb 0.07 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 2fug s VAL 135 CO 0.60 0.12 0.27 -0.31 0.00 0.00 0.00 175.10 175.79 2fug s TYR 136 N 1.81 3.65 -0.22 5.22 1.51 -1.26 -1.03 117.35 127.02 2fug s TYR 136 Ca -0.02 0.74 0.02 0.00 -1.01 0.00 0.00 57.07 56.80 2fug s TYR 136 Cb -0.12 -2.13 0.05 0.00 -0.11 0.00 0.00 41.96 39.65 2fug s TYR 136 CO -0.05 0.66 -0.11 0.54 -1.11 0.00 0.00 175.55 175.48 2fug s VAL 137 N -0.94 1.86 0.00 0.71 0.11 0.31 -4.92 120.40 117.52 2fug s VAL 137 Ca 0.19 -1.25 -0.01 0.00 -2.93 0.00 0.00 61.98 57.98 2fug s VAL 137 Cb -0.14 -1.94 -0.03 0.00 -1.53 0.00 0.00 36.38 32.73 2fug s VAL 137 CO 0.08 0.10 0.88 -0.81 -3.33 0.00 0.00 175.10 172.03 2fug n PRO 138 N 4.59 0.27 -4.12 1.54 -0.04 -1.26 -0.29 135.00 135.68 2fug n PRO 138 Ca -0.15 -0.13 -0.27 0.00 -0.04 0.00 0.00 63.50 62.91 2fug n PRO 138 Cb 0.45 -1.56 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 2fug n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fug n GLY 139 N 2.86 3.28 0.00 0.55 0.00 -1.26 -4.87 105.19 105.74 2fug n GLY 139 Ca 0.06 -2.33 0.00 0.00 0.00 0.00 0.00 46.02 43.74 2fug n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fug s PRO 141 N 0.00 3.62 0.19 0.00 0.04 -1.26 -5.06 135.00 132.53 2fug s PRO 141 Ca 0.00 -0.03 -0.30 0.00 0.04 0.00 0.00 61.00 60.71 2fug s PRO 141 Cb 0.00 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 2fug s PRO 141 CO 0.00 0.60 1.31 -1.25 0.04 0.00 0.00 177.00 177.70 2fug s PRO 142 N -1.94 4.39 0.50 0.56 0.04 -1.26 -4.94 135.00 132.35 2fug s PRO 142 Ca 0.31 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.21 2fug s PRO 142 Cb -0.13 -3.20 -0.14 0.00 0.04 0.00 0.00 34.50 31.07 2fug s PRO 142 CO 0.18 -0.26 0.03 0.54 0.04 0.00 0.00 177.00 177.53 2fug n ARG 143 N 2.73 0.10 -0.16 4.56 1.74 -1.26 -4.68 116.66 119.69 2fug n ARG 143 Ca 0.06 0.04 -0.05 0.00 -0.77 0.00 0.00 57.85 57.13 2fug n ARG 143 Cb 0.43 -1.13 0.01 0.00 -1.02 0.00 0.00 32.46 30.75 2fug n ARG 143 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2fug h PRO 144 N 0.10 -0.16 -1.09 5.56 0.11 -1.92 0.25 132.00 134.85 2fug h PRO 144 Ca -0.41 0.01 0.33 0.00 0.11 0.00 0.00 66.00 66.04 2fug h PRO 144 Cb 1.44 0.04 -0.13 0.00 0.11 0.00 0.00 31.00 32.46 2fug h PRO 144 CO 0.44 -0.11 0.67 0.93 -0.21 0.00 0.00 178.00 179.72 2fug h GLU 145 N -0.17 0.29 -0.28 1.05 3.07 -1.92 1.21 114.58 117.83 2fug h GLU 145 Ca 0.22 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.12 2fug h GLU 145 Cb 0.51 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.30 2fug h GLU 145 CO -0.59 0.19 -0.09 0.00 -1.40 0.00 0.00 179.01 177.12 2fug h ALA 146 N 1.73 0.15 -0.88 3.43 0.00 -0.78 -0.17 119.26 122.74 2fug h ALA 146 Ca 0.72 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.79 2fug h ALA 146 Cb 1.84 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.82 2fug h ALA 146 CO -0.48 -0.49 0.55 1.25 0.00 0.00 0.00 179.25 180.09 2fug h LEU 147 N -0.04 0.88 0.23 0.00 7.12 0.16 -1.29 115.31 122.38 2fug h LEU 147 Ca 0.14 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.15 2fug h LEU 147 Cb 0.25 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 2fug h LEU 147 CO -0.31 0.58 -0.19 0.40 -0.13 0.00 0.00 178.44 178.79 2fug h ILE 148 N 1.03 0.00 -0.94 4.05 5.03 -0.31 -0.71 117.51 125.64 2fug h ILE 148 Ca 0.37 0.00 0.27 0.00 -0.12 0.00 0.00 64.86 65.39 2fug h ILE 148 Cb 0.13 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 33.88 2fug h ILE 148 CO -0.16 0.00 0.90 0.22 -0.68 0.00 0.00 178.15 178.43 2fug h TYR 149 N -0.41 0.00 0.35 1.37 5.03 -1.11 0.19 116.97 122.39 2fug h TYR 149 Ca -0.03 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.26 2fug h TYR 149 Cb 0.34 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.62 2fug h TYR 149 CO -0.07 0.00 -0.17 0.00 -1.32 0.00 0.00 178.16 176.61 2fug h ALA 150 N 1.09 -0.47 -0.14 1.82 0.00 0.07 -2.40 119.26 119.24 2fug h ALA 150 Ca 0.45 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2fug h ALA 150 Cb 2.24 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 20.20 2fug h ALA 150 CO -0.00 -0.65 -0.14 -0.39 0.00 0.00 0.00 179.25 178.06 2fug h VAL 151 N -0.68 1.18 -0.92 0.00 -1.51 0.03 -2.01 116.25 112.34 2fug h VAL 151 Ca -0.05 -0.79 0.11 0.00 -1.23 0.00 0.00 66.70 64.74 2fug h VAL 151 Cb 0.48 1.23 -0.08 0.00 -2.13 0.00 0.00 31.29 30.79 2fug h VAL 151 CO 0.08 0.24 0.55 0.24 -1.23 0.00 0.00 177.57 177.46 2fug h MET 152 N 0.21 0.88 -0.42 5.19 2.07 -1.08 1.87 114.93 123.64 2fug h MET 152 Ca 0.04 -0.05 -0.13 0.00 -2.07 0.00 0.00 59.70 57.49 2fug h MET 152 Cb 0.38 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 29.90 2fug h MET 152 CO 0.02 0.58 -0.27 0.37 1.07 0.00 0.00 176.91 178.69 2fug h GLN 153 N 0.90 0.88 -0.40 1.72 5.75 -0.88 0.54 115.11 123.62 2fug h GLN 153 Ca 0.45 -0.39 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 2fug h GLN 153 Cb 0.41 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 2fug h GLN 153 CO -0.25 1.04 0.14 1.25 -2.65 0.00 0.00 178.83 178.36 2fug h LEU 154 N 0.75 0.57 0.34 -2.39 5.85 -0.08 -1.20 115.31 119.16 2fug h LEU 154 Ca 0.09 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2fug h LEU 154 Cb 0.82 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2fug h LEU 154 CO 0.07 0.61 -0.41 -0.61 -0.34 0.00 0.00 178.44 177.76 2fug h GLN 155 N 0.50 -0.75 0.00 1.25 4.15 0.31 0.71 115.11 121.28 2fug h GLN 155 Ca 0.13 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.60 2fug h GLN 155 Cb 0.23 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.09 2fug h GLN 155 CO -0.01 -0.50 0.00 1.63 -1.93 0.00 0.00 178.83 178.03 2fug n LYS 156 N -4.90 0.08 -0.13 1.69 5.02 0.18 -2.61 118.16 117.50 2fug n LYS 156 Ca -0.09 0.18 -0.21 0.00 -2.02 0.00 0.00 58.31 56.17 2fug n LYS 156 Cb 0.37 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.77 2fug n LYS 156 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2fug n LYS 157 N -1.22 0.59 -0.00 1.97 4.81 -0.46 -1.56 118.16 122.29 2fug n LYS 157 Ca 0.02 0.18 0.19 0.00 -0.87 0.00 0.00 58.31 57.83 2fug n LYS 157 Cb 0.03 -1.47 0.67 0.00 0.02 0.00 0.00 35.03 34.29 2fug n LYS 157 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 2fug h VAL 158 N -0.32 0.75 -0.21 3.15 -1.51 -0.66 0.51 116.25 117.96 2fug h VAL 158 Ca -0.59 -0.01 -0.09 0.00 -1.23 0.00 0.00 66.70 64.78 2fug h VAL 158 Cb 1.76 0.72 -0.00 0.00 -2.13 0.00 0.00 31.29 31.63 2fug h VAL 158 CO -0.19 0.01 -0.23 0.03 -1.23 0.00 0.00 177.57 175.95 2fug h ARG 159 N 0.03 0.52 0.00 5.19 3.08 -1.71 -3.44 114.38 118.05 2fug h ARG 159 Ca 0.25 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2fug h ARG 159 Cb 0.95 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2fug h ARG 159 CO -0.01 0.87 0.00 0.41 -1.07 0.00 0.00 179.97 180.17 2fug n GLY 160 N 0.21 0.28 0.00 0.04 0.00 0.18 -4.84 105.19 101.06 2fug n GLY 160 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.02 2fug n GLY 160 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2fug n GLN 161 N -1.98 0.53 -3.59 1.61 6.02 -1.21 -4.01 117.38 114.76 2fug n GLN 161 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 2fug n GLN 161 Cb 0.00 -1.33 -0.12 0.00 1.02 0.00 0.00 30.24 29.82 2fug n GLN 161 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2fug s ALA 162 N -2.00 1.98 -0.11 -1.58 0.00 -0.60 -5.00 121.76 114.45 2fug s ALA 162 Ca 0.17 -2.64 -0.11 0.00 0.00 0.00 0.00 51.96 49.37 2fug s ALA 162 Cb 0.08 -1.79 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 2fug s ALA 162 CO 0.13 -2.04 0.24 1.52 0.00 0.00 0.00 175.76 175.60 2fug s TYR 163 N 0.04 3.57 0.00 0.00 -0.85 -1.26 -4.51 117.35 114.35 2fug s TYR 163 Ca 0.24 0.63 0.00 0.00 -0.52 0.00 0.00 57.07 57.42 2fug s TYR 163 Cb -0.10 -2.15 0.00 0.00 0.38 0.00 0.00 41.96 40.09 2fug s TYR 163 CO -0.10 0.54 0.00 0.09 -1.52 0.00 0.00 175.55 174.56 2fug n ASN 164 N 2.53 1.06 0.00 -0.18 5.03 -1.13 -4.81 115.26 117.74 2fug n ASN 164 Ca -0.16 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.29 2fug n ASN 164 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 2fug n ASN 164 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2fug n GLU 165 N -2.52 0.00 0.00 3.52 0.00 -1.26 -4.27 120.64 116.11 2fug n GLU 165 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2fug n GLU 165 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.75 2fug n GLU 165 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2fug n ARG 166 N 0.00 0.00 -0.05 5.31 0.63 -1.26 -4.39 116.66 116.90 2fug n ARG 166 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2fug n ARG 166 Cb 0.00 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.49 2fug n ARG 166 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2fug n GLY 167 N -0.61 0.97 3.87 5.14 0.00 -1.26 -5.09 105.19 108.22 2fug n GLY 167 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2fug n GLY 167 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fug s GLU 168 N -0.68 3.81 -0.08 1.61 2.02 -1.26 -4.98 118.70 119.14 2fug s GLU 168 Ca 0.00 0.29 -0.30 0.00 0.02 0.00 0.00 54.97 54.99 2fug s GLU 168 Cb 0.00 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.57 2fug s GLU 168 CO 0.00 0.30 1.26 1.03 0.02 0.00 0.00 175.26 177.87 2fug s ARG 169 N -2.86 4.30 -0.16 1.61 1.81 -1.26 -2.86 118.95 119.53 2fug s ARG 169 Ca 0.48 1.73 -0.15 0.00 -1.72 0.00 0.00 55.73 56.07 2fug s ARG 169 Cb -0.11 -3.63 -0.04 0.00 -0.45 0.00 0.00 34.95 30.71 2fug s ARG 169 CO 0.21 -0.55 0.35 -0.51 -0.68 0.00 0.00 175.30 174.12 2fug s LEU 170 N 2.66 4.23 0.83 2.53 1.43 -1.26 -4.95 118.68 124.14 2fug s LEU 170 Ca 0.57 0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 54.12 2fug s LEU 170 Cb -0.25 -2.46 0.09 0.00 0.03 0.00 0.00 46.19 43.60 2fug s LEU 170 CO 0.21 0.04 1.15 -2.16 0.23 0.00 0.00 176.35 175.81 2fug s PRO 171 N 0.69 1.65 0.16 1.29 0.04 -1.26 -4.76 135.00 132.81 2fug s PRO 171 Ca 0.19 1.50 0.16 0.00 0.04 0.00 0.00 61.00 62.88 2fug s PRO 171 Cb -0.14 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2fug s PRO 171 CO 0.06 -2.16 1.12 -1.35 0.04 0.00 0.00 177.00 174.71 2fug h PRO 172 N -1.25 0.00 0.00 0.56 0.11 -1.85 -3.46 132.00 126.11 2fug h PRO 172 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 2fug h PRO 172 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2fug h PRO 172 CO 0.46 0.40 -0.00 1.33 -0.21 0.00 0.00 178.00 179.98 2fug n VAL 173 N -3.05 0.00 -3.68 3.15 0.24 -1.26 -4.41 118.33 109.32 2fug n VAL 173 Ca -0.04 -0.03 -0.30 0.00 -2.04 0.00 0.00 64.34 61.93 2fug n VAL 173 Cb 0.79 -0.59 -0.14 0.00 -1.47 0.00 0.00 33.84 32.43 2fug n VAL 173 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2fug s ALA 174 N -2.01 1.73 0.00 2.33 0.00 -1.26 -5.00 121.76 117.55 2fug s ALA 174 Ca 0.01 -2.15 0.00 0.00 0.00 0.00 0.00 51.96 49.81 2fug s ALA 174 Cb -0.00 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.37 2fug s ALA 174 CO 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 175.76 173.83