#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fiv s THR 7 N 0.00 2.64 -0.16 12.58 -4.23 -1.26 -5.10 115.64 120.11 3fiv s THR 7 Ca 0.00 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 3fiv s THR 7 Cb 0.00 -2.00 0.02 0.00 1.34 0.00 0.00 72.50 71.86 3fiv s THR 7 CO 0.00 0.58 -0.16 -0.89 -0.54 0.00 0.00 174.62 173.61 3fiv s THR 8 N -0.53 1.72 0.58 3.99 2.01 -1.26 -5.13 115.64 117.03 3fiv s THR 8 Ca 0.07 -0.74 -0.10 0.00 0.31 0.00 0.00 61.69 61.23 3fiv s THR 8 Cb -0.11 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 3fiv s THR 8 CO 0.01 0.47 0.97 0.42 -0.69 0.00 0.00 174.62 175.80 3fiv s THR 9 N 1.43 4.75 -0.29 -0.82 -4.23 -1.26 -5.00 115.64 110.21 3fiv s THR 9 Ca 0.05 0.74 0.12 0.00 -1.18 0.00 0.00 61.69 61.42 3fiv s THR 9 Cb -0.13 -3.86 0.78 0.00 1.34 0.00 0.00 72.50 70.64 3fiv s THR 9 CO -0.11 -1.05 1.77 0.18 -0.54 0.00 0.00 174.62 174.86 3fiv n LEU 10 N -2.56 5.89 0.13 4.79 4.77 -1.26 -4.40 117.00 124.36 3fiv n LEU 10 Ca 0.05 -3.02 0.12 0.00 -0.03 0.00 0.00 56.01 53.12 3fiv n LEU 10 Cb 0.54 -0.71 0.49 0.00 -2.33 0.00 0.00 43.42 41.41 3fiv n LEU 10 CO 0.56 0.70 0.85 -1.84 -1.33 0.00 0.00 177.39 176.34 3fiv n GLU 11 N 0.29 0.19 -4.36 3.23 0.00 -1.26 -4.69 120.64 114.04 3fiv n GLU 11 Ca 0.33 0.42 -0.19 0.00 0.00 0.00 0.00 57.16 57.73 3fiv n GLU 11 Cb 1.28 -1.87 -0.10 0.00 0.00 0.00 0.00 31.44 30.75 3fiv n GLU 11 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3fiv s LYS 12 N -3.32 1.38 0.12 3.44 1.02 -1.26 -5.10 119.74 116.02 3fiv s LYS 12 Ca 0.04 -1.61 -0.32 0.00 0.02 0.00 0.00 55.97 54.10 3fiv s LYS 12 Cb 0.09 -1.22 -0.11 0.00 -0.52 0.00 0.00 37.83 36.07 3fiv s LYS 12 CO 0.39 0.21 1.82 0.54 -0.92 0.00 0.00 175.35 177.39 3fiv n ARG 13 N -0.40 2.72 -2.51 1.68 1.74 -1.26 -4.90 116.66 113.73 3fiv n ARG 13 Ca -0.08 0.99 -0.43 0.00 -0.77 0.00 0.00 57.85 57.57 3fiv n ARG 13 Cb 0.60 -2.87 -0.02 0.00 -1.02 0.00 0.00 32.46 29.15 3fiv n ARG 13 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3fiv s PRO 14 N 2.58 3.58 0.24 5.56 0.04 -1.26 -5.00 135.00 140.75 3fiv s PRO 14 Ca 0.82 0.56 0.09 0.00 0.04 0.00 0.00 61.00 62.51 3fiv s PRO 14 Cb -0.51 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.00 3fiv s PRO 14 CO 0.38 -1.57 0.04 -1.21 0.04 0.00 0.00 177.00 174.68 3fiv s GLU 15 N 4.83 2.47 -0.14 4.56 2.02 -1.26 -0.60 118.70 130.57 3fiv s GLU 15 Ca 0.51 -1.27 -0.10 0.00 0.02 0.00 0.00 54.97 54.13 3fiv s GLU 15 Cb -0.09 -2.30 0.05 0.00 0.10 0.00 0.00 34.13 31.89 3fiv s GLU 15 CO 0.30 0.39 0.36 -1.50 0.02 0.00 0.00 175.26 174.83 3fiv s ILE 16 N -2.16 -0.02 -0.20 -1.63 2.07 -0.23 -4.92 121.20 114.12 3fiv s ILE 16 Ca 0.31 0.06 -0.22 0.00 -1.41 0.00 0.00 60.65 59.39 3fiv s ILE 16 Cb -0.07 -0.52 -0.02 0.00 0.13 0.00 0.00 42.46 41.97 3fiv s ILE 16 CO 0.21 0.03 0.71 -0.22 -1.91 0.00 0.00 174.94 173.75 3fiv s LEU 17 N 0.88 4.14 -0.01 8.50 1.98 -1.26 -0.52 118.68 132.39 3fiv s LEU 17 Ca -0.06 0.94 0.02 0.00 -2.89 0.00 0.00 54.13 52.15 3fiv s LEU 17 Cb -0.06 -3.02 -0.00 0.00 0.66 0.00 0.00 46.19 43.77 3fiv s LEU 17 CO -0.07 -0.34 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.34 3fiv s ILE 18 N 2.11 0.66 -0.26 6.68 1.01 -0.25 -2.75 121.20 128.40 3fiv s ILE 18 Ca 0.32 -0.35 -0.21 0.00 0.00 0.00 0.00 60.65 60.41 3fiv s ILE 18 Cb -0.16 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 3fiv s ILE 18 CO 0.10 0.19 0.66 -0.36 0.00 0.00 0.00 174.94 175.54 3fiv s PHE 19 N -0.14 3.28 -0.41 3.97 0.40 0.10 -0.77 117.98 124.42 3fiv s PHE 19 Ca 0.02 0.84 -0.10 0.00 -0.60 0.00 0.00 56.93 57.09 3fiv s PHE 19 Cb -0.04 -2.90 0.06 0.00 0.51 0.00 0.00 43.02 40.66 3fiv s PHE 19 CO -0.00 -0.36 0.25 0.08 0.70 0.00 0.00 175.22 175.88 3fiv s VAL 20 N 2.58 4.40 -1.46 -0.44 1.01 0.12 -1.06 120.40 125.53 3fiv s VAL 20 Ca 0.27 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 3fiv s VAL 20 Cb -0.15 -3.60 0.06 0.00 0.00 0.00 0.00 36.38 32.68 3fiv s VAL 20 CO 0.09 -0.41 1.02 0.59 0.00 0.00 0.00 175.10 176.39 3fiv n ASN 21 N 4.96 -4.93 0.00 3.32 3.02 -0.42 -2.43 115.26 118.79 3fiv n ASN 21 Ca -0.11 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 3fiv n ASN 21 Cb 0.44 -4.25 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 3fiv n ASN 21 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fiv n GLY 22 N -1.76 0.80 3.17 7.41 0.00 -1.26 -4.90 105.19 108.65 3fiv n GLY 22 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3fiv n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fiv s TYR 23 N -3.15 2.00 0.06 1.61 1.51 -1.02 -5.05 117.35 113.31 3fiv s TYR 23 Ca 0.00 -0.64 -0.31 0.00 -1.01 0.00 0.00 57.07 55.12 3fiv s TYR 23 Cb 0.00 -1.34 -0.07 0.00 -0.11 0.00 0.00 41.96 40.44 3fiv s TYR 23 CO 0.00 -0.23 1.35 -1.25 -1.11 0.00 0.00 175.55 174.32 3fiv s PRO 24 N 0.09 4.33 -0.03 -1.71 0.04 -1.26 0.10 135.00 136.56 3fiv s PRO 24 Ca -0.07 1.97 0.01 0.00 0.04 0.00 0.00 61.00 62.95 3fiv s PRO 24 Cb -0.13 -3.38 0.02 0.00 0.04 0.00 0.00 34.50 31.04 3fiv s PRO 24 CO 0.04 -0.45 -0.03 0.42 0.04 0.00 0.00 177.00 177.02 3fiv s ILE 25 N 1.55 0.40 -0.38 0.56 -1.09 0.05 -4.95 121.20 117.34 3fiv s ILE 25 Ca 0.63 -0.08 -0.17 0.00 -2.23 0.00 0.00 60.65 58.80 3fiv s ILE 25 Cb -0.33 -0.43 0.01 0.00 -1.58 0.00 0.00 42.46 40.13 3fiv s ILE 25 CO 0.29 0.18 0.45 -0.75 -1.23 0.00 0.00 174.94 173.87 3fiv s LYS 26 N 0.74 3.37 0.22 2.79 2.20 -1.26 -1.09 119.74 126.71 3fiv s LYS 26 Ca -0.09 -0.49 -0.03 0.00 -0.36 0.00 0.00 55.97 55.00 3fiv s LYS 26 Cb -0.12 -3.88 -0.05 0.00 -1.51 0.00 0.00 37.83 32.27 3fiv s LYS 26 CO -0.00 -0.72 0.45 -0.06 -0.36 0.00 0.00 175.35 174.65 3fiv s PHE 27 N 2.21 3.48 -0.27 4.03 0.08 0.33 -4.40 117.98 123.44 3fiv s PHE 27 Ca 0.14 0.48 -0.14 0.00 0.12 0.00 0.00 56.93 57.53 3fiv s PHE 27 Cb -0.16 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.28 3fiv s PHE 27 CO 0.13 0.32 0.34 -1.17 -0.10 0.00 0.00 175.22 174.74 3fiv s LEU 28 N -3.29 4.04 -0.26 -0.37 2.96 0.56 -1.07 118.68 121.25 3fiv s LEU 28 Ca 0.41 0.23 -0.29 0.00 -0.22 0.00 0.00 54.13 54.26 3fiv s LEU 28 Cb -0.11 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.19 3fiv s LEU 28 CO 0.28 -0.16 1.74 -0.76 -1.32 0.00 0.00 176.35 176.14 3fiv s LEU 29 N 2.00 3.72 -0.32 -0.68 1.43 0.23 -0.55 118.68 124.51 3fiv s LEU 29 Ca 0.13 1.55 0.01 0.00 -1.03 0.00 0.00 54.13 54.79 3fiv s LEU 29 Cb -0.16 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.63 3fiv s LEU 29 CO 0.10 -1.48 0.07 0.21 0.23 0.00 0.00 176.35 175.48 3fiv s ASN 30 N 5.26 4.38 0.10 2.29 3.04 -0.05 -4.77 114.94 125.19 3fiv s ASN 30 Ca 0.77 -1.88 0.17 0.00 0.04 0.00 0.00 52.86 51.96 3fiv s ASN 30 Cb -0.25 -1.22 0.72 0.00 -1.54 0.00 0.00 41.25 38.95 3fiv s ASN 30 CO 0.32 -0.40 1.52 0.35 -3.04 0.00 0.00 177.10 175.85 3fiv n THR 31 N 4.57 1.03 0.39 -5.21 -2.24 -1.26 -1.83 114.28 109.72 3fiv n THR 31 Ca 0.01 0.29 0.08 0.00 -2.27 0.00 0.00 64.05 62.16 3fiv n THR 31 Cb 0.42 -1.13 0.23 0.00 -2.10 0.00 0.00 70.33 67.75 3fiv n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fiv n GLY 32 N -0.18 1.39 3.20 3.38 0.00 -1.26 -4.79 105.19 106.92 3fiv n GLY 32 Ca 0.03 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 3fiv n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fiv s ALA 33 N -1.33 2.31 0.29 4.61 0.00 -0.76 -5.01 121.76 121.88 3fiv s ALA 33 Ca 0.35 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 51.31 3fiv s ALA 33 Cb 0.18 -1.05 0.43 0.00 0.00 0.00 0.00 23.12 22.68 3fiv s ALA 33 CO 0.24 -0.03 1.67 -0.44 0.00 0.00 0.00 175.76 177.20 3fiv h ASP 34 N 7.31 0.14 -4.23 0.00 3.32 -1.86 0.95 116.42 122.05 3fiv h ASP 34 Ca -0.32 -0.07 -0.29 0.00 0.02 0.00 0.00 57.03 56.37 3fiv h ASP 34 Cb 1.19 -0.04 -0.15 0.00 0.22 0.00 0.00 39.33 40.55 3fiv h ASP 34 CO 0.56 0.62 -0.70 0.27 -1.72 0.00 0.00 179.24 178.27 3fiv s ILE 35 N -3.93 0.96 -0.05 0.35 -4.36 -1.26 -2.14 121.20 110.76 3fiv s ILE 35 Ca -0.03 -2.01 -0.26 0.00 -0.26 0.00 0.00 60.65 58.08 3fiv s ILE 35 Cb 0.13 -1.84 -0.03 0.00 1.25 0.00 0.00 42.46 41.97 3fiv s ILE 35 CO 0.77 -0.75 0.84 -0.89 0.24 0.00 0.00 174.94 175.15 3fiv s THR 36 N -3.46 4.95 0.04 8.37 2.01 -1.26 -3.87 115.64 122.41 3fiv s THR 36 Ca 0.16 1.73 0.04 0.00 0.31 0.00 0.00 61.69 63.93 3fiv s THR 36 Cb 0.04 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 3fiv s THR 36 CO -0.01 0.18 -0.11 0.27 -0.69 0.00 0.00 174.62 174.27 3fiv s ILE 37 N 1.08 0.82 0.11 1.82 -4.36 -0.81 -0.59 121.20 119.27 3fiv s ILE 37 Ca 0.44 -1.00 -0.15 0.00 -0.26 0.00 0.00 60.65 59.68 3fiv s ILE 37 Cb -0.19 -0.80 0.03 0.00 1.25 0.00 0.00 42.46 42.75 3fiv s ILE 37 CO 0.21 -0.17 0.36 -1.48 0.24 0.00 0.00 174.94 174.11 3fiv s LEU 38 N -1.30 0.58 0.56 0.37 2.34 -0.61 -1.82 118.68 118.79 3fiv s LEU 38 Ca -0.03 -0.33 -0.19 0.00 0.06 0.00 0.00 54.13 53.64 3fiv s LEU 38 Cb -0.08 1.68 -0.05 0.00 -0.56 0.00 0.00 46.19 47.18 3fiv s LEU 38 CO 0.01 -0.80 1.11 0.20 -1.06 0.00 0.00 176.35 175.80 3fiv s ASN 39 N -2.69 5.72 0.45 1.48 0.01 -1.26 -1.47 114.94 117.17 3fiv s ASN 39 Ca 0.02 2.08 0.14 0.00 -0.71 0.00 0.00 52.86 54.39 3fiv s ASN 39 Cb 0.02 -2.57 1.06 0.00 0.41 0.00 0.00 41.25 40.17 3fiv s ASN 39 CO -0.10 -1.21 2.02 -0.09 -1.51 0.00 0.00 177.10 176.20 3fiv h ARG 40 N 1.01 0.34 0.00 -0.60 9.65 -1.42 -1.44 114.38 121.91 3fiv h ARG 40 Ca -0.49 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.35 3fiv h ARG 40 Cb 1.25 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.75 3fiv h ARG 40 CO 0.57 0.22 -0.07 0.07 2.80 0.00 0.00 179.97 183.56 3fiv h ARG 41 N 0.35 0.00 -0.02 0.20 0.11 -1.91 -1.94 114.38 111.17 3fiv h ARG 41 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 3fiv h ARG 41 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 3fiv h ARG 41 CO -0.05 0.07 -0.15 -0.25 0.10 0.00 0.00 179.97 179.69 3fiv n ASP 42 N -3.55 2.06 -4.58 0.08 8.00 -0.55 -4.93 116.55 113.10 3fiv n ASP 42 Ca -0.02 -1.58 -0.36 0.00 0.71 0.00 0.00 54.79 53.55 3fiv n ASP 42 Cb 0.19 0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.31 3fiv n ASP 42 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3fiv s PHE 43 N -2.19 3.20 -0.37 1.24 5.36 -0.73 -5.02 117.98 119.47 3fiv s PHE 43 Ca 0.28 -0.05 -0.12 0.00 -0.96 0.00 0.00 56.93 56.08 3fiv s PHE 43 Cb 0.20 -2.17 0.02 0.00 -0.34 0.00 0.00 43.02 40.73 3fiv s PHE 43 CO 0.41 -0.03 0.22 -0.65 -1.46 0.00 0.00 175.22 173.70 3fiv s GLN 44 N 0.92 2.98 0.16 10.12 -1.52 -1.26 -4.99 119.66 126.07 3fiv s GLN 44 Ca 0.04 -0.98 -0.14 0.00 -1.95 0.00 0.00 55.36 52.33 3fiv s GLN 44 Cb -0.14 -3.75 0.05 0.00 -0.22 0.00 0.00 33.01 28.95 3fiv s GLN 44 CO 0.03 -0.65 1.77 0.28 -0.25 0.00 0.00 175.29 176.47 3fiv h VAL 45 N 5.77 1.18 0.00 1.09 2.07 -1.95 -3.45 116.25 120.96 3fiv h VAL 45 Ca -0.27 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3fiv h VAL 45 Cb 1.12 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3fiv h VAL 45 CO 0.67 0.19 0.00 0.29 0.02 0.00 0.00 177.57 178.74 3fiv n LYS 46 N -4.64 0.00 -0.20 1.57 5.02 -1.26 -0.79 118.16 117.85 3fiv n LYS 46 Ca 0.02 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.41 3fiv n LYS 46 Cb 0.08 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.36 3fiv n LYS 46 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fiv n ASN 47 N 3.80 2.67 -4.79 4.39 3.02 -1.26 -4.94 115.26 118.16 3fiv n ASN 47 Ca 0.00 -1.93 -0.35 0.00 -0.03 0.00 0.00 54.58 52.27 3fiv n ASN 47 Cb 0.00 -0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 38.88 3fiv n ASN 47 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3fiv s SER 48 N -1.25 6.28 -0.11 6.41 0.01 0.03 -4.99 113.70 120.08 3fiv s SER 48 Ca 0.35 2.06 -0.01 0.00 1.31 0.00 0.00 55.95 59.66 3fiv s SER 48 Cb 0.19 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 3fiv s SER 48 CO 0.26 -0.83 -0.05 -0.63 0.41 0.00 0.00 173.24 172.40 3fiv s ILE 49 N -1.80 3.81 0.44 1.44 1.01 -0.93 -4.95 121.20 120.21 3fiv s ILE 49 Ca 0.66 -0.42 -0.25 0.00 0.00 0.00 0.00 60.65 60.64 3fiv s ILE 49 Cb -0.21 -2.61 -0.08 0.00 0.01 0.00 0.00 42.46 39.57 3fiv s ILE 49 CO 0.25 0.55 1.37 -0.70 0.00 0.00 0.00 174.94 176.41 3fiv s GLU 50 N -0.28 3.78 -0.17 2.79 2.12 -1.26 -1.33 118.70 124.35 3fiv s GLU 50 Ca 0.04 2.29 0.23 0.00 0.36 0.00 0.00 54.97 57.90 3fiv s GLU 50 Cb -0.13 -2.67 0.48 0.00 0.26 0.00 0.00 34.13 32.07 3fiv s GLU 50 CO 0.02 -0.70 1.14 -1.71 -0.54 0.00 0.00 175.26 173.47 3fiv n ASN 51 N -0.11 1.51 0.00 -1.70 4.05 0.16 -4.83 115.26 114.34 3fiv n ASN 51 Ca 0.05 -2.13 0.00 0.00 0.45 0.00 0.00 54.58 52.95 3fiv n ASN 51 Cb 0.43 -0.41 0.00 0.00 1.23 0.00 0.00 39.78 41.03 3fiv n ASN 51 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3fiv n GLY 52 N -0.23 -3.59 3.96 8.20 0.00 -1.26 -4.72 105.19 107.56 3fiv n GLY 52 Ca 0.08 -2.00 -0.22 0.00 0.00 0.00 0.00 46.02 43.89 3fiv n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fiv s ARG 53 N -0.81 3.45 -0.02 1.61 1.81 -1.26 -0.04 118.95 123.69 3fiv s ARG 53 Ca 0.00 -0.68 -0.01 0.00 -1.72 0.00 0.00 55.73 53.32 3fiv s ARG 53 Cb 0.00 -2.85 0.02 0.00 -0.45 0.00 0.00 34.95 31.67 3fiv s ARG 53 CO 0.00 0.38 0.04 -1.14 -0.68 0.00 0.00 175.30 173.90 3fiv s GLN 54 N -4.03 0.01 -0.03 3.54 2.00 0.90 -4.82 119.66 117.22 3fiv s GLN 54 Ca 0.35 0.12 -0.05 0.00 -2.00 0.00 0.00 55.36 53.78 3fiv s GLN 54 Cb -0.09 -0.10 -0.04 0.00 0.80 0.00 0.00 33.01 33.58 3fiv s GLN 54 CO 0.30 -0.08 0.20 -0.80 -0.50 0.00 0.00 175.29 174.42 3fiv s ASN 55 N 0.50 6.42 0.05 6.67 -0.87 -1.26 -0.64 114.94 125.81 3fiv s ASN 55 Ca -0.04 0.46 -0.03 0.00 -1.57 0.00 0.00 52.86 51.68 3fiv s ASN 55 Cb -0.06 -2.05 -0.03 0.00 -0.02 0.00 0.00 41.25 39.09 3fiv s ASN 55 CO -0.02 0.30 0.03 0.00 -2.57 0.00 0.00 177.10 174.84 3fiv s MET 56 N -1.63 0.62 -0.04 -0.60 0.23 -0.17 -4.98 119.30 112.73 3fiv s MET 56 Ca 0.24 -1.06 0.03 0.00 -1.03 0.00 0.00 55.69 53.87 3fiv s MET 56 Cb -0.13 0.23 0.01 0.00 -1.53 0.00 0.00 34.83 33.41 3fiv s MET 56 CO 0.14 -0.14 -0.11 0.42 -2.03 0.00 0.00 175.02 173.30 3fiv s ILE 57 N -3.52 0.95 0.08 3.16 -1.09 -1.26 -1.55 121.20 117.97 3fiv s ILE 57 Ca 0.03 -0.42 0.01 0.00 -2.23 0.00 0.00 60.65 58.04 3fiv s ILE 57 Cb 0.05 -0.86 -0.00 0.00 -1.58 0.00 0.00 42.46 40.07 3fiv s ILE 57 CO -0.09 0.30 0.03 0.61 -1.23 0.00 0.00 174.94 174.56 3fiv n GLY 58 N 3.50 3.94 0.24 6.18 0.00 0.82 -4.99 105.19 114.87 3fiv n GLY 58 Ca -0.20 -1.97 0.11 0.00 0.00 0.00 0.00 46.02 43.96 3fiv n GLY 58 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3fiv h VAL 59 N 1.13 0.59 -0.02 1.61 2.07 -2.02 -3.17 116.25 116.45 3fiv h VAL 59 Ca -0.07 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3fiv h VAL 59 Cb 0.25 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3fiv h VAL 59 CO 0.10 0.17 -0.29 0.61 0.02 0.00 0.00 177.57 178.19 3fiv n GLY 60 N -0.34 0.26 0.00 2.17 0.00 -1.26 -5.06 105.19 100.96 3fiv n GLY 60 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3fiv n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fiv n GLY 61 N 1.38 0.51 3.56 -0.02 0.00 -1.20 -5.12 105.19 104.30 3fiv n GLY 61 Ca 0.11 -1.43 -0.26 0.00 0.00 0.00 0.00 46.02 44.44 3fiv n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fiv s GLY 62 N 0.00 2.23 0.11 -0.02 0.00 -1.26 -0.13 107.32 108.25 3fiv s GLY 62 Ca 0.00 -2.11 -0.07 0.00 0.00 0.00 0.00 44.72 42.53 3fiv s GLY 62 CO 0.00 -2.03 0.18 0.54 0.00 0.00 0.00 173.10 171.79 3fiv s LYS 63 N -3.63 0.90 0.02 2.90 -0.14 -0.59 -4.97 119.74 114.23 3fiv s LYS 63 Ca 0.33 -1.07 0.08 0.00 -1.36 0.00 0.00 55.97 53.95 3fiv s LYS 63 Cb 0.03 0.33 -0.02 0.00 -1.68 0.00 0.00 37.83 36.49 3fiv s LYS 63 CO 0.17 -0.29 -0.24 0.50 -0.76 0.00 0.00 175.35 174.73 3fiv s ARG 64 N -3.91 1.77 0.31 1.68 3.52 -1.26 -1.00 118.95 120.07 3fiv s ARG 64 Ca 0.09 -0.95 0.04 0.00 -0.13 0.00 0.00 55.73 54.78 3fiv s ARG 64 Cb 0.05 -1.83 -0.03 0.00 -1.56 0.00 0.00 34.95 31.58 3fiv s ARG 64 CO -0.07 0.49 0.20 0.20 -0.81 0.00 0.00 175.30 175.30 3fiv s GLY 65 N -0.91 2.14 -0.13 8.12 0.00 0.18 -4.58 107.32 112.14 3fiv s GLY 65 Ca 0.10 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 43.01 3fiv s GLY 65 CO 0.01 -1.55 -0.14 -1.59 0.00 0.00 0.00 173.10 169.83 3fiv s THR 66 N -3.58 2.92 0.24 0.90 2.01 -0.51 -0.07 115.64 117.55 3fiv s THR 66 Ca 0.37 -0.71 -0.13 0.00 0.31 0.00 0.00 61.69 61.54 3fiv s THR 66 Cb 0.04 -2.22 -0.08 0.00 0.01 0.00 0.00 72.50 70.25 3fiv s THR 66 CO 0.20 0.53 0.61 0.20 -0.69 0.00 0.00 174.62 175.47 3fiv s ASN 67 N 0.40 6.73 -0.01 3.53 0.01 0.94 -0.79 114.94 125.75 3fiv s ASN 67 Ca -0.11 1.08 0.02 0.00 -0.71 0.00 0.00 52.86 53.14 3fiv s ASN 67 Cb -0.16 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.21 3fiv s ASN 67 CO 0.05 -0.08 -0.06 -0.31 -1.51 0.00 0.00 177.10 175.20 3fiv s TYR 68 N -1.79 0.60 0.42 2.20 1.51 -0.07 -0.66 117.35 119.56 3fiv s TYR 68 Ca 0.47 -0.12 0.07 0.00 -1.01 0.00 0.00 57.07 56.48 3fiv s TYR 68 Cb -0.12 -0.42 -0.07 0.00 -0.11 0.00 0.00 41.96 41.24 3fiv s TYR 68 CO 0.20 -0.04 0.07 0.96 -1.11 0.00 0.00 175.55 175.63 3fiv s ILE 69 N 0.05 2.05 -1.00 2.71 -4.36 -0.44 -1.92 121.20 118.29 3fiv s ILE 69 Ca -0.00 -1.89 -0.04 0.00 -0.26 0.00 0.00 60.65 58.46 3fiv s ILE 69 Cb -0.05 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.73 3fiv s ILE 69 CO -0.00 0.00 0.86 -3.20 0.24 0.00 0.00 174.94 172.83 3fiv n ASN 70 N -1.09 -4.00 -4.78 4.36 5.15 -1.00 -2.20 115.26 111.71 3fiv n ASN 70 Ca -0.04 -0.44 -0.37 0.00 -0.60 0.00 0.00 54.58 53.13 3fiv n ASN 70 Cb 0.66 -4.03 -0.07 0.00 -0.53 0.00 0.00 39.78 35.82 3fiv n ASN 70 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3fiv s VAL 71 N -3.26 5.27 -0.20 3.44 1.01 -0.05 -4.18 120.40 122.43 3fiv s VAL 71 Ca 0.27 0.57 -0.28 0.00 0.00 0.00 0.00 61.98 62.54 3fiv s VAL 71 Cb -0.12 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3fiv s VAL 71 CO 0.56 0.47 0.98 -1.00 0.00 0.00 0.00 175.10 176.11 3fiv s HIS 72 N -0.14 3.38 -0.18 5.22 3.76 -1.26 0.11 115.29 126.17 3fiv s HIS 72 Ca 0.18 1.42 0.01 0.00 -0.15 0.00 0.00 55.06 56.52 3fiv s HIS 72 Cb -0.14 -3.19 0.03 0.00 1.11 0.00 0.00 32.58 30.40 3fiv s HIS 72 CO 0.06 -0.39 -0.12 -0.51 -0.85 0.00 0.00 174.74 172.93 3fiv s LEU 73 N 2.78 2.12 -0.13 0.89 1.43 0.48 -1.30 118.68 124.94 3fiv s LEU 73 Ca 0.43 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3fiv s LEU 73 Cb -0.16 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 44.83 3fiv s LEU 73 CO 0.09 -0.11 -0.16 -0.70 0.23 0.00 0.00 176.35 175.71 3fiv s GLU 74 N 1.41 2.38 -0.11 1.70 2.12 -0.23 -1.27 118.70 124.70 3fiv s GLU 74 Ca 0.01 -0.61 -0.29 0.00 0.36 0.00 0.00 54.97 54.44 3fiv s GLU 74 Cb -0.15 -2.07 -0.01 0.00 0.26 0.00 0.00 34.13 32.16 3fiv s GLU 74 CO -0.09 -0.13 1.00 0.42 -0.54 0.00 0.00 175.26 175.91 3fiv s ILE 75 N 1.19 4.79 -0.42 -3.70 1.01 -0.43 0.00 121.20 123.63 3fiv s ILE 75 Ca -0.01 2.03 0.07 0.00 0.00 0.00 0.00 60.65 62.74 3fiv s ILE 75 Cb -0.14 -4.31 0.23 0.00 0.01 0.00 0.00 42.46 38.25 3fiv s ILE 75 CO -0.06 0.01 0.51 0.54 0.00 0.00 0.00 174.94 175.93 3fiv n ARG 76 N 5.00 0.80 -4.86 2.79 5.12 -1.11 -3.68 116.66 120.72 3fiv n ARG 76 Ca 0.09 -3.37 -0.27 0.00 -1.93 0.00 0.00 57.85 52.36 3fiv n ARG 76 Cb 0.49 -1.42 -0.16 0.00 -1.16 0.00 0.00 32.46 30.20 3fiv n ARG 76 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3fiv s ASP 77 N -1.07 2.27 0.32 0.55 -1.08 -1.26 -4.76 116.67 111.64 3fiv s ASP 77 Ca 0.35 -0.38 0.06 0.00 -0.52 0.00 0.00 52.55 52.05 3fiv s ASP 77 Cb 0.14 -0.81 0.70 0.00 -1.46 0.00 0.00 42.92 41.49 3fiv s ASP 77 CO -0.12 0.13 1.84 1.05 0.52 0.00 0.00 175.17 178.59 3fiv h GLU 78 N 6.51 0.80 -0.00 4.34 -0.00 -1.98 -1.44 114.58 122.81 3fiv h GLU 78 Ca -0.30 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.02 3fiv h GLU 78 Cb 1.19 -0.18 0.00 0.00 -0.00 0.00 0.00 28.75 29.76 3fiv h GLU 78 CO 0.48 0.53 -0.03 0.09 -0.00 0.00 0.00 179.01 180.08 3fiv n ASN 79 N -4.61 0.21 -4.25 3.06 4.13 -1.26 -4.87 115.26 107.66 3fiv n ASN 79 Ca 0.19 -0.65 -0.14 0.00 1.68 0.00 0.00 54.58 55.66 3fiv n ASN 79 Cb 0.44 -0.11 -0.10 0.00 -1.54 0.00 0.00 39.78 38.47 3fiv n ASN 79 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3fiv s TYR 80 N -2.30 1.27 0.24 3.10 2.02 -0.54 -4.97 117.35 116.17 3fiv s TYR 80 Ca 0.36 -0.76 -0.30 0.00 -0.37 0.00 0.00 57.07 56.01 3fiv s TYR 80 Cb 0.21 -0.65 -0.09 0.00 -0.40 0.00 0.00 41.96 41.03 3fiv s TYR 80 CO 0.42 0.08 1.20 0.21 -1.57 0.00 0.00 175.55 175.89 3fiv s LYS 81 N -3.75 4.50 0.12 -0.62 2.20 -1.26 -4.49 119.74 116.44 3fiv s LYS 81 Ca 0.17 1.94 -0.30 0.00 -0.36 0.00 0.00 55.97 57.41 3fiv s LYS 81 Cb 0.03 -3.19 -0.06 0.00 -1.51 0.00 0.00 37.83 33.10 3fiv s LYS 81 CO 0.01 -0.03 1.04 -0.08 -0.36 0.00 0.00 175.35 175.93 3fiv s THR 82 N -0.60 4.24 0.00 3.43 -1.32 -1.26 -4.84 115.64 115.29 3fiv s THR 82 Ca 0.50 1.84 0.00 0.00 -1.21 0.00 0.00 61.69 62.81 3fiv s THR 82 Cb -0.34 -4.17 0.00 0.00 -1.51 0.00 0.00 72.50 66.47 3fiv s THR 82 CO 0.41 0.27 0.00 0.00 -2.21 0.00 0.00 174.62 173.09 3fiv n GLN 83 N 2.81 0.00 0.00 7.08 6.02 -1.24 -4.97 117.38 127.08 3fiv n GLN 83 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3fiv n GLN 83 Cb 0.48 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 3fiv n GLN 83 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3fiv n ILE 85 N 0.00 0.00 -3.89 5.09 -5.35 -0.40 -1.31 119.36 113.50 3fiv n ILE 85 Ca 0.00 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.13 3fiv n ILE 85 Cb 0.00 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 37.81 3fiv n ILE 85 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3fiv s PHE 86 N -2.00 3.30 0.00 4.28 0.40 -1.26 -0.39 117.98 122.32 3fiv s PHE 86 Ca 0.00 0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.48 3fiv s PHE 86 Cb 0.00 -2.12 0.00 0.00 0.51 0.00 0.00 43.02 41.41 3fiv s PHE 86 CO 0.00 0.18 0.00 0.41 0.70 0.00 0.00 175.22 176.51 3fiv n GLY 87 N 3.62 4.69 3.56 4.36 0.00 0.12 -4.83 105.19 116.71 3fiv n GLY 87 Ca -0.16 -1.40 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 3fiv n GLY 87 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fiv s ASN 88 N 0.64 4.20 -0.00 1.61 0.01 -1.26 -0.87 114.94 119.26 3fiv s ASN 88 Ca 0.00 -0.58 -0.05 0.00 -0.71 0.00 0.00 52.86 51.52 3fiv s ASN 88 Cb 0.00 -0.69 -0.00 0.00 0.41 0.00 0.00 41.25 40.97 3fiv s ASN 88 CO 0.00 0.11 0.11 0.68 -1.51 0.00 0.00 177.10 176.49 3fiv s VAL 89 N -1.63 0.07 -0.14 1.60 -7.23 -0.81 -4.65 120.40 107.61 3fiv s VAL 89 Ca 0.24 -0.59 0.01 0.00 -1.81 0.00 0.00 61.98 59.83 3fiv s VAL 89 Cb -0.09 -0.35 0.00 0.00 0.56 0.00 0.00 36.38 36.50 3fiv s VAL 89 CO 0.14 -0.32 -0.17 0.00 -0.31 0.00 0.00 175.10 174.44 3fiv s VAL 91 N 0.74 5.01 -0.36 0.00 1.01 0.03 -1.58 120.40 125.25 3fiv s VAL 91 Ca -0.07 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 3fiv s VAL 91 Cb -0.16 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 3fiv s VAL 91 CO 0.01 0.54 0.41 -0.76 0.00 0.00 0.00 175.10 175.30 3fiv s LEU 92 N -0.36 4.50 0.55 3.92 1.43 -0.55 -1.42 118.68 126.75 3fiv s LEU 92 Ca 0.10 -0.27 0.36 0.00 -1.03 0.00 0.00 54.13 53.29 3fiv s LEU 92 Cb -0.12 -2.41 1.63 0.00 0.03 0.00 0.00 46.19 45.33 3fiv s LEU 92 CO 0.02 -0.42 2.06 -0.33 0.23 0.00 0.00 176.35 177.91 3fiv h GLU 93 N 8.52 0.00 -0.19 1.70 4.39 -1.90 -0.48 114.58 126.62 3fiv h GLU 93 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3fiv h GLU 93 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3fiv h GLU 93 CO 0.73 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.18 3fiv n ASP 94 N -2.99 2.13 -3.35 1.42 5.75 -1.26 -4.81 116.55 113.44 3fiv n ASP 94 Ca -0.00 -1.77 -0.23 0.00 -0.01 0.00 0.00 54.79 52.77 3fiv n ASP 94 Cb 0.22 -0.12 -0.00 0.00 -1.03 0.00 0.00 41.12 40.19 3fiv n ASP 94 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3fiv n ASN 95 N 0.63 -3.86 -0.34 -1.12 3.02 -0.81 -4.86 115.26 107.92 3fiv n ASN 95 Ca 0.17 -0.39 0.13 0.00 -0.03 0.00 0.00 54.58 54.46 3fiv n ASN 95 Cb 0.41 -3.19 0.35 0.00 -0.61 0.00 0.00 39.78 36.75 3fiv n ASN 95 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3fiv n SER 96 N -2.31 1.30 -4.70 6.41 3.41 -1.26 -4.92 113.62 111.55 3fiv n SER 96 Ca -0.02 -1.12 -0.42 0.00 -0.26 0.00 0.00 58.87 57.05 3fiv n SER 96 Cb 0.55 0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.61 3fiv n SER 96 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fiv s LEU 97 N -2.38 4.35 0.22 1.04 1.43 -1.26 -4.90 118.68 117.18 3fiv s LEU 97 Ca 0.26 2.25 -0.01 0.00 -1.03 0.00 0.00 54.13 55.61 3fiv s LEU 97 Cb 0.19 -3.57 0.21 0.00 0.03 0.00 0.00 46.19 43.05 3fiv s LEU 97 CO 0.48 -0.69 1.57 0.40 0.23 0.00 0.00 176.35 178.34 3fiv h ILE 98 N 4.55 1.31 -2.59 -0.59 1.08 -2.02 -3.45 117.51 115.80 3fiv h ILE 98 Ca -0.41 -1.67 -0.10 0.00 -0.39 0.00 0.00 64.86 62.30 3fiv h ILE 98 Cb 1.20 1.67 -0.22 0.00 -3.07 0.00 0.00 36.82 36.39 3fiv h ILE 98 CO 0.88 0.52 -0.13 -1.58 -0.69 0.00 0.00 178.15 177.15 3fiv s GLN 99 N -4.12 0.65 0.34 2.37 2.00 -1.26 -5.14 119.66 114.50 3fiv s GLN 99 Ca -0.07 0.44 -0.28 0.00 -2.00 0.00 0.00 55.36 53.45 3fiv s GLN 99 Cb 0.12 0.31 -0.10 0.00 0.80 0.00 0.00 33.01 34.14 3fiv s GLN 99 CO 0.82 -0.12 1.28 -2.14 -0.50 0.00 0.00 175.29 174.63 3fiv s PRO 100 N -0.25 4.30 -0.13 1.67 0.02 -1.26 -4.90 135.00 134.44 3fiv s PRO 100 Ca -0.04 2.15 0.01 0.00 0.02 0.00 0.00 61.00 63.14 3fiv s PRO 100 Cb -0.03 -3.01 -0.00 0.00 0.02 0.00 0.00 34.50 31.47 3fiv s PRO 100 CO 0.03 -0.21 -0.17 -0.51 -0.33 0.00 0.00 177.00 175.81 3fiv s LEU 101 N -1.90 2.44 -0.41 -5.54 1.43 -0.76 -0.33 118.68 113.61 3fiv s LEU 101 Ca 0.50 -0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 52.98 3fiv s LEU 101 Cb -0.38 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.32 3fiv s LEU 101 CO 0.51 0.13 0.44 -0.22 0.23 0.00 0.00 176.35 177.43 3fiv s LEU 102 N 0.56 4.81 0.00 1.79 2.96 0.29 -1.93 118.68 127.17 3fiv s LEU 102 Ca -0.10 -0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 53.18 3fiv s LEU 102 Cb -0.16 -2.40 0.11 0.00 0.50 0.00 0.00 46.19 44.24 3fiv s LEU 102 CO 0.04 -0.57 0.77 0.61 -1.32 0.00 0.00 176.35 175.88 3fiv n GLY 103 N 5.09 0.55 0.30 7.98 0.00 -1.25 -0.87 105.19 116.99 3fiv n GLY 103 Ca -0.07 -1.99 0.05 0.00 0.00 0.00 0.00 46.02 44.00 3fiv n GLY 103 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3fiv h ARG 104 N 0.00 0.45 -0.74 1.61 3.08 -0.82 -2.34 114.38 115.63 3fiv h ARG 104 Ca -0.25 -0.03 0.16 0.00 0.07 0.00 0.00 59.98 59.93 3fiv h ARG 104 Cb 0.92 -0.10 -0.12 0.00 0.08 0.00 0.00 29.97 30.75 3fiv h ARG 104 CO 0.27 0.30 0.13 0.38 -1.07 0.00 0.00 179.97 179.97 3fiv h ASP 105 N 0.47 -0.09 0.42 7.04 2.03 -1.69 -2.05 116.42 122.54 3fiv h ASP 105 Ca 0.13 0.16 -0.27 0.00 -0.73 0.00 0.00 57.03 56.32 3fiv h ASP 105 Cb -0.05 0.24 -0.05 0.00 -0.83 0.00 0.00 39.33 38.64 3fiv h ASP 105 CO -0.03 -0.08 -1.79 0.59 -1.03 0.00 0.00 179.24 176.90 3fiv n ASN 106 N -5.21 0.65 -0.21 4.15 3.02 -1.10 -4.03 115.26 112.52 3fiv n ASN 106 Ca 0.14 0.30 -0.02 0.00 -0.03 0.00 0.00 54.58 54.97 3fiv n ASN 106 Cb 0.47 0.30 0.19 0.00 -0.61 0.00 0.00 39.78 40.13 3fiv n ASN 106 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3fiv h MET 107 N 0.00 0.99 -0.48 3.52 2.86 -1.11 -1.71 114.93 119.00 3fiv h MET 107 Ca -0.30 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.26 3fiv h MET 107 Cb 1.92 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 33.34 3fiv h MET 107 CO 0.06 0.75 0.23 0.82 1.06 0.00 0.00 176.91 179.82 3fiv h ILE 108 N 0.99 0.94 0.00 -1.22 2.04 -1.54 0.33 117.51 119.05 3fiv h ILE 108 Ca 0.25 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.90 3fiv h ILE 108 Cb 0.06 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3fiv h ILE 108 CO -0.04 0.08 -0.27 0.11 0.00 0.00 0.00 178.15 178.03 3fiv h LYS 109 N 0.45 0.00 -0.01 2.37 1.57 -1.52 -2.59 116.57 116.85 3fiv h LYS 109 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3fiv h LYS 109 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3fiv h LYS 109 CO -0.16 0.27 -0.19 1.19 -0.57 0.00 0.00 179.45 179.99 3fiv n PHE 110 N -3.86 0.00 -3.32 -1.35 3.72 -0.71 -4.96 117.46 106.98 3fiv n PHE 110 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.22 3fiv n PHE 110 Cb 0.36 -0.06 0.08 0.00 -0.94 0.00 0.00 39.48 38.91 3fiv n PHE 110 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3fiv n ASN 111 N -0.18 -3.01 -4.78 4.37 4.05 -0.04 -4.99 115.26 110.68 3fiv n ASN 111 Ca 0.14 -0.53 -0.38 0.00 0.45 0.00 0.00 54.58 54.26 3fiv n ASN 111 Cb 0.38 -4.59 -0.06 0.00 1.23 0.00 0.00 39.78 36.74 3fiv n ASN 111 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3fiv s ILE 112 N -3.31 5.07 0.11 -1.44 1.01 -0.33 -5.03 121.20 117.28 3fiv s ILE 112 Ca 0.13 0.94 0.04 0.00 0.00 0.00 0.00 60.65 61.76 3fiv s ILE 112 Cb -0.06 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3fiv s ILE 112 CO 0.65 0.45 -0.10 -0.13 0.00 0.00 0.00 174.94 175.81 3fiv s ARG 113 N -0.24 0.92 -0.04 2.79 0.52 -1.26 -4.62 118.95 117.03 3fiv s ARG 113 Ca 0.25 -1.28 -0.09 0.00 -0.52 0.00 0.00 55.73 54.09 3fiv s ARG 113 Cb -0.16 -0.54 -0.05 0.00 0.52 0.00 0.00 34.95 34.72 3fiv s ARG 113 CO 0.12 0.07 0.27 -0.51 0.02 0.00 0.00 175.30 175.27 3fiv s LEU 114 N -2.75 4.41 -0.03 2.53 1.43 -1.26 -5.08 118.68 117.92 3fiv s LEU 114 Ca 0.10 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 3fiv s LEU 114 Cb -0.00 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.79 3fiv s LEU 114 CO -0.00 0.32 -0.02 -0.69 0.23 0.00 0.00 176.35 176.20 3fiv s VAL 115 N -1.15 0.30 -0.37 -1.59 1.01 -1.26 -5.28 120.40 112.07 3fiv s VAL 115 Ca 0.22 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.24 3fiv s VAL 115 Cb -0.14 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 35.89 3fiv s VAL 115 CO 0.11 0.17 0.59 0.80 0.00 0.00 0.00 175.10 176.78