#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fre s LEU 2 N 0.00 2.56 0.05 -4.42 2.96 -1.26 -1.99 118.68 116.58 3fre s LEU 2 Ca 0.00 -0.47 0.06 0.00 -0.22 0.00 0.00 54.13 53.50 3fre s LEU 2 Cb 0.00 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3fre s LEU 2 CO 0.00 0.05 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.46 3fre s SER 3 N 1.06 2.07 0.11 3.68 0.01 -0.09 -0.62 113.70 119.93 3fre s SER 3 Ca -0.00 -0.52 -0.19 0.00 1.31 0.00 0.00 55.95 56.55 3fre s SER 3 Cb -0.15 -0.14 -0.07 0.00 0.21 0.00 0.00 66.02 65.87 3fre s SER 3 CO -0.03 0.08 0.60 -0.63 0.41 0.00 0.00 173.24 173.66 3fre s ILE 4 N -0.90 4.72 -0.12 1.44 1.01 -0.60 0.80 121.20 127.55 3fre s ILE 4 Ca 0.04 1.17 -0.01 0.00 0.00 0.00 0.00 60.65 61.85 3fre s ILE 4 Cb -0.09 -3.87 0.03 0.00 0.01 0.00 0.00 42.46 38.54 3fre s ILE 4 CO 0.02 0.44 -0.05 -0.22 0.00 0.00 0.00 174.94 175.13 3fre s LEU 5 N -1.41 1.12 -0.13 2.97 2.96 -0.51 -0.03 118.68 123.64 3fre s LEU 5 Ca 0.33 -0.35 -0.26 0.00 -0.22 0.00 0.00 54.13 53.63 3fre s LEU 5 Cb -0.18 -0.74 0.06 0.00 0.50 0.00 0.00 46.19 45.83 3fre s LEU 5 CO 0.20 -0.16 0.64 0.54 -1.32 0.00 0.00 176.35 176.25 3fre s VAL 6 N 1.77 0.00 -0.17 1.68 0.11 -0.66 -4.51 120.40 118.62 3fre s VAL 6 Ca 0.04 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3fre s VAL 6 Cb -0.13 -0.93 0.01 0.00 -1.53 0.00 0.00 36.38 33.79 3fre s VAL 6 CO -0.07 -0.02 -0.16 0.00 -3.33 0.00 0.00 175.10 171.51 3fre s ALA 7 N -0.52 2.44 0.08 1.54 0.00 -1.26 -0.13 121.76 123.91 3fre s ALA 7 Ca -0.06 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.80 3fre s ALA 7 Cb -0.02 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 3fre s ALA 7 CO 0.06 -0.21 -0.11 -3.38 0.00 0.00 0.00 175.76 172.11 3fre s HIS 8 N 1.09 1.07 0.02 0.00 -3.43 0.14 -4.54 115.29 109.64 3fre s HIS 8 Ca -0.00 -0.58 0.00 0.00 -0.80 0.00 0.00 55.06 53.68 3fre s HIS 8 Cb -0.14 -0.59 0.00 0.00 -1.43 0.00 0.00 32.58 30.42 3fre s HIS 8 CO -0.06 0.01 0.03 -0.40 -2.00 0.00 0.00 174.74 172.33 3fre n ASP 9 N 0.86 0.05 0.27 7.38 5.75 -0.78 -0.03 116.55 130.06 3fre n ASP 9 Ca -0.18 -1.04 0.18 0.00 -0.01 0.00 0.00 54.79 53.74 3fre n ASP 9 Cb 0.56 -0.02 0.91 0.00 -1.03 0.00 0.00 41.12 41.55 3fre n ASP 9 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3fre h LEU 10 N 0.00 0.00 -2.96 -2.12 3.38 -0.97 0.12 115.31 112.76 3fre h LEU 10 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fre h LEU 10 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fre h LEU 10 CO 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.53 3fre n GLN 11 N -2.81 1.56 -1.15 1.13 6.02 -1.26 -4.98 117.38 115.89 3fre n GLN 11 Ca -0.02 -2.31 -0.05 0.00 -0.01 0.00 0.00 57.00 54.61 3fre n GLN 11 Cb 0.12 -1.37 -0.02 0.00 1.02 0.00 0.00 30.24 29.99 3fre n GLN 11 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3fre n ARG 12 N -1.21 -0.59 -1.73 -1.09 1.74 0.43 -4.94 116.66 109.28 3fre n ARG 12 Ca 0.12 0.58 -0.42 0.00 -0.77 0.00 0.00 57.85 57.36 3fre n ARG 12 Cb 0.57 -4.31 -0.02 0.00 -1.02 0.00 0.00 32.46 27.67 3fre n ARG 12 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3fre n VAL 13 N -2.73 0.47 0.08 1.55 0.31 -1.26 -0.36 118.33 116.39 3fre n VAL 13 Ca -0.05 -0.12 0.02 0.00 -0.01 0.00 0.00 64.34 64.18 3fre n VAL 13 Cb 0.23 -1.93 -0.02 0.00 -0.91 0.00 0.00 33.84 31.20 3fre n VAL 13 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3fre n ILE 14 N 3.09 0.00 -3.59 2.52 -5.35 0.09 -1.86 119.36 114.26 3fre n ILE 14 Ca 0.13 -0.28 -0.15 0.00 -0.27 0.00 0.00 62.75 62.18 3fre n ILE 14 Cb 0.35 0.75 -0.07 0.00 -1.74 0.00 0.00 39.64 38.94 3fre n ILE 14 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fre s GLY 15 N -1.75 -0.54 -0.03 3.28 0.00 -1.14 -4.56 107.32 102.59 3fre s GLY 15 Ca 0.00 1.81 0.00 0.00 0.00 0.00 0.00 44.72 46.54 3fre s GLY 15 CO 0.13 1.49 0.02 -0.12 0.00 0.00 0.00 173.10 174.62 3fre s PHE 16 N -0.14 0.17 -1.53 1.90 5.99 -0.39 -0.45 117.98 123.54 3fre s PHE 16 Ca -0.03 0.07 -0.05 0.00 0.00 0.00 0.00 56.93 56.91 3fre s PHE 16 Cb -0.03 -0.33 0.05 0.00 0.00 0.00 0.00 43.02 42.70 3fre s PHE 16 CO 0.04 -0.11 0.41 0.39 -0.00 0.00 0.00 175.22 175.95 3fre n GLU 17 N 4.21 -2.63 -1.65 10.12 1.02 -1.26 -0.43 120.64 130.03 3fre n GLU 17 Ca -0.26 0.32 -0.19 0.00 -0.02 0.00 0.00 57.16 57.01 3fre n GLU 17 Cb 0.50 -4.45 -0.07 0.00 -0.02 0.00 0.00 31.44 27.40 3fre n GLU 17 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fre n ASN 18 N -2.87 -5.27 -4.41 1.62 3.02 -1.26 -4.98 115.26 101.12 3fre n ASN 18 Ca -0.21 0.40 -0.20 0.00 -0.03 0.00 0.00 54.58 54.53 3fre n ASN 18 Cb 0.64 -4.40 -0.10 0.00 -0.61 0.00 0.00 39.78 35.31 3fre n ASN 18 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3fre s GLN 19 N -3.76 1.52 0.21 3.52 -0.21 0.43 -4.70 119.66 116.66 3fre s GLN 19 Ca 0.00 -1.78 -0.30 0.00 0.02 0.00 0.00 55.36 53.30 3fre s GLN 19 Cb 0.00 -1.01 -0.09 0.00 1.00 0.00 0.00 33.01 32.90 3fre s GLN 19 CO 0.00 -0.02 1.42 -0.51 -2.12 0.00 0.00 175.29 174.06 3fre s LEU 20 N -3.42 4.39 0.39 2.90 1.43 -1.26 -1.26 118.68 121.85 3fre s LEU 20 Ca 0.30 2.54 0.28 0.00 -1.03 0.00 0.00 54.13 56.23 3fre s LEU 20 Cb 0.05 -3.61 1.20 0.00 0.03 0.00 0.00 46.19 43.86 3fre s LEU 20 CO 0.12 -0.66 1.84 -0.65 0.23 0.00 0.00 176.35 177.22 3fre h PRO 21 N 5.60 0.00 -6.13 1.29 0.11 -1.87 -3.45 132.00 127.55 3fre h PRO 21 Ca -0.45 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.11 3fre h PRO 21 Cb 1.21 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.13 3fre h PRO 21 CO 0.81 0.00 -0.81 1.67 -0.21 0.00 0.00 178.00 179.46 3fre s TRP 22 N -3.50 1.89 -0.40 0.65 -2.14 -1.26 -5.03 118.94 109.14 3fre s TRP 22 Ca 0.02 -0.44 -0.13 0.00 2.66 0.00 0.00 56.10 58.21 3fre s TRP 22 Cb 0.09 -0.97 0.03 0.00 -3.10 0.00 0.00 33.47 29.52 3fre s TRP 22 CO 0.45 0.31 0.27 -1.58 -2.66 0.00 0.00 176.95 173.74 3fre s HIS 23 N -1.67 3.25 -0.42 1.66 2.46 -1.26 -5.02 115.29 114.29 3fre s HIS 23 Ca 0.13 -0.78 0.04 0.00 0.47 0.00 0.00 55.06 54.92 3fre s HIS 23 Cb -0.08 -2.58 0.17 0.00 -0.13 0.00 0.00 32.58 29.96 3fre s HIS 23 CO 0.06 -0.63 0.39 -1.17 -2.47 0.00 0.00 174.74 170.91 3fre s LEU 24 N 1.62 0.78 0.50 8.88 2.96 -1.26 -4.79 118.68 127.38 3fre s LEU 24 Ca 0.04 -2.63 0.20 0.00 -0.22 0.00 0.00 54.13 51.52 3fre s LEU 24 Cb -0.20 0.01 1.27 0.00 0.50 0.00 0.00 46.19 47.78 3fre s LEU 24 CO 0.08 -0.18 2.03 -0.65 -1.32 0.00 0.00 176.35 176.32 3fre h PRO 25 N 5.84 0.10 -0.92 0.98 0.11 -1.96 0.18 132.00 136.34 3fre h PRO 25 Ca 0.19 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.31 3fre h PRO 25 Cb 0.96 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.00 3fre h PRO 25 CO 0.29 0.07 0.61 -0.97 -0.21 0.00 0.00 178.00 177.78 3fre h ASN 26 N 0.11 1.04 0.34 -2.05 -0.73 -1.94 -1.97 115.58 110.38 3fre h ASN 26 Ca 0.19 -0.02 -0.11 0.00 1.87 0.00 0.00 56.30 58.23 3fre h ASN 26 Cb 0.64 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.95 3fre h ASN 26 CO -0.02 0.75 -0.48 -0.78 -0.37 0.00 0.00 177.43 176.53 3fre h ASP 27 N 1.23 0.17 0.82 1.15 1.82 -1.38 0.29 116.42 120.52 3fre h ASP 27 Ca 0.34 -0.08 -0.22 0.00 -0.39 0.00 0.00 57.03 56.68 3fre h ASP 27 Cb -0.12 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 39.82 3fre h ASP 27 CO -0.08 0.63 -1.01 -0.07 -1.61 0.00 0.00 179.24 177.10 3fre h LEU 28 N 0.13 0.14 -0.38 2.28 3.38 -1.48 0.34 115.31 119.72 3fre h LEU 28 Ca 0.01 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3fre h LEU 28 Cb 0.90 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 3fre h LEU 28 CO 0.07 1.06 0.08 0.50 0.09 0.00 0.00 178.44 180.23 3fre h LYS 29 N 0.04 0.20 -0.90 1.13 3.11 -1.15 0.26 116.57 119.25 3fre h LYS 29 Ca -0.04 -0.01 0.11 0.00 -2.81 0.00 0.00 60.65 57.90 3fre h LYS 29 Cb 1.72 -0.04 -0.08 0.00 -1.00 0.00 0.00 32.23 32.83 3fre h LYS 29 CO 0.14 0.13 0.53 1.25 -2.81 0.00 0.00 179.45 178.70 3fre h HIS 30 N 0.20 0.96 -0.19 1.91 2.76 -0.26 0.10 115.15 120.63 3fre h HIS 30 Ca 0.18 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.32 3fre h HIS 30 Cb 0.21 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 28.87 3fre h HIS 30 CO -0.19 0.36 -0.12 0.28 -1.30 0.00 0.00 177.93 176.96 3fre h VAL 31 N 0.85 1.32 -0.35 5.26 2.07 -0.51 -2.59 116.25 122.30 3fre h VAL 31 Ca 0.45 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 66.77 3fre h VAL 31 Cb 0.46 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3fre h VAL 31 CO -0.27 0.37 0.17 0.50 0.02 0.00 0.00 177.57 178.35 3fre h LYS 32 N 0.09 0.34 -0.58 1.57 3.64 0.14 -2.26 116.57 119.51 3fre h LYS 32 Ca 0.04 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3fre h LYS 32 Cb 0.63 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 3fre h LYS 32 CO 0.03 0.23 0.32 -0.22 -2.27 0.00 0.00 179.45 177.54 3fre h LYS 33 N 0.35 0.81 -0.32 1.90 3.64 -0.98 -1.80 116.57 120.18 3fre h LYS 33 Ca 0.15 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 3fre h LYS 33 Cb 0.06 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3fre h LYS 33 CO -0.11 0.62 -0.43 -0.07 -2.27 0.00 0.00 179.45 177.19 3fre h LEU 34 N 0.79 0.93 0.00 5.20 3.38 -1.29 -3.36 115.31 120.95 3fre h LEU 34 Ca 0.21 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3fre h LEU 34 Cb 0.05 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3fre h LEU 34 CO -0.03 1.25 -1.69 -1.54 0.09 0.00 0.00 178.44 176.51 3fre n SER 35 N -4.09 0.49 -4.67 -0.43 3.41 -0.86 -4.91 113.62 102.55 3fre n SER 35 Ca -0.04 -0.23 -0.54 0.00 -0.26 0.00 0.00 58.87 57.81 3fre n SER 35 Cb 0.57 1.71 -0.06 0.00 -0.26 0.00 0.00 64.21 66.16 3fre n SER 35 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3fre n THR 36 N -2.03 0.25 -0.43 6.66 -1.04 -0.69 -1.57 114.28 115.42 3fre n THR 36 Ca -0.02 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3fre n THR 36 Cb 0.48 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 3fre n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fre n GLY 37 N 3.73 0.77 0.00 3.41 0.00 0.05 -5.01 105.19 108.15 3fre n GLY 37 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3fre n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fre n HIS 38 N -2.35 0.00 -4.56 1.61 -0.00 -0.61 -4.95 115.22 104.36 3fre n HIS 38 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.48 3fre n HIS 38 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.83 3fre n HIS 38 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3fre s THR 39 N 2.04 1.08 -0.12 1.59 2.01 -0.68 -1.10 115.64 120.46 3fre s THR 39 Ca 0.00 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 3fre s THR 39 Cb 0.00 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 3fre s THR 39 CO 0.00 0.34 0.11 -0.76 -0.69 0.00 0.00 174.62 173.61 3fre s LEU 40 N 0.48 4.19 -0.16 4.42 1.43 -0.23 0.62 118.68 129.44 3fre s LEU 40 Ca -0.10 0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 53.37 3fre s LEU 40 Cb -0.14 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.07 3fre s LEU 40 CO 0.03 0.39 -0.15 -0.69 0.23 0.00 0.00 176.35 176.15 3fre s VAL 41 N -0.89 2.69 0.06 -1.59 1.01 0.27 -1.14 120.40 120.80 3fre s VAL 41 Ca 0.14 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3fre s VAL 41 Cb -0.12 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3fre s VAL 41 CO 0.03 0.51 -0.06 0.00 0.00 0.00 0.00 175.10 175.58 3fre s MET 42 N 0.88 0.63 0.76 2.72 0.23 -0.28 -0.04 119.30 124.21 3fre s MET 42 Ca -0.04 -1.01 -0.11 0.00 -1.03 0.00 0.00 55.69 53.50 3fre s MET 42 Cb -0.15 -0.17 0.05 0.00 -1.53 0.00 0.00 34.83 33.03 3fre s MET 42 CO -0.01 -0.00 1.08 0.20 -2.03 0.00 0.00 175.02 174.26 3fre s GLY 43 N -2.26 1.64 0.21 3.16 0.00 -0.01 -0.42 107.32 109.63 3fre s GLY 43 Ca -0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 44.72 44.57 3fre s GLY 43 CO -0.03 0.32 1.78 -0.09 0.00 0.00 0.00 173.10 175.08 3fre h ARG 44 N -0.98 1.16 -0.60 2.90 1.12 -1.88 -2.28 114.38 113.82 3fre h ARG 44 Ca -0.46 -0.21 -0.04 0.00 -1.11 0.00 0.00 59.98 58.17 3fre h ARG 44 Cb 1.25 -0.19 -0.03 0.00 -0.01 0.00 0.00 29.97 30.99 3fre h ARG 44 CO 0.58 0.94 0.24 0.87 -3.11 0.00 0.00 179.97 179.48 3fre h LYS 45 N 1.13 0.90 -0.43 0.20 1.57 -1.93 -0.29 116.57 117.72 3fre h LYS 45 Ca 0.26 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3fre h LYS 45 Cb 0.20 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3fre h LYS 45 CO -0.02 0.77 0.27 1.15 -0.57 0.00 0.00 179.45 181.05 3fre h THR 46 N 0.84 1.13 -0.70 -0.16 2.02 -1.81 -0.12 112.91 114.11 3fre h THR 46 Ca 0.20 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 67.11 3fre h THR 46 Cb 0.21 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 3fre h THR 46 CO -0.02 0.13 0.45 0.15 0.37 0.00 0.00 175.52 176.61 3fre h PHE 47 N 0.58 0.85 -0.52 3.16 3.04 -1.09 -0.99 116.94 121.97 3fre h PHE 47 Ca 0.16 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 3fre h PHE 47 Cb -0.02 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.19 3fre h PHE 47 CO -0.04 0.51 0.29 0.93 -2.02 0.00 0.00 178.31 177.98 3fre h GLU 48 N 0.90 0.72 -0.62 1.11 4.39 -0.55 1.30 114.58 121.84 3fre h GLU 48 Ca 0.27 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.96 3fre h GLU 48 Cb -0.03 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 28.41 3fre h GLU 48 CO -0.09 0.56 0.29 1.03 -1.16 0.00 0.00 179.01 179.64 3fre h SER 49 N 0.69 0.38 0.30 1.42 0.87 -0.76 -2.41 113.55 114.04 3fre h SER 49 Ca 0.18 0.05 -0.20 0.00 -1.23 0.00 0.00 61.79 60.59 3fre h SER 49 Cb 0.04 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3fre h SER 49 CO -0.03 0.24 -0.83 0.40 -0.53 0.00 0.00 176.83 176.08 3fre h ILE 50 N 0.53 1.39 0.00 2.23 2.04 -0.52 -3.47 117.51 119.71 3fre h ILE 50 Ca 0.29 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.86 3fre h ILE 50 Cb 0.28 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 3fre h ILE 50 CO -0.24 0.69 0.00 0.61 0.00 0.00 0.00 178.15 179.21 3fre n GLY 51 N 0.74 2.68 3.43 5.37 0.00 0.44 -4.89 105.19 112.96 3fre n GLY 51 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 3fre n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fre s LYS 52 N -0.32 1.25 0.28 1.61 -2.85 -1.26 -5.00 119.74 113.46 3fre s LYS 52 Ca 0.00 -0.38 -0.29 0.00 -1.00 0.00 0.00 55.97 54.30 3fre s LYS 52 Cb 0.00 0.57 -0.10 0.00 -2.06 0.00 0.00 37.83 36.25 3fre s LYS 52 CO 0.00 -0.53 1.12 -1.25 0.10 0.00 0.00 175.35 174.79 3fre s PRO 53 N -3.41 4.62 0.10 1.78 0.04 -1.26 -4.95 135.00 131.92 3fre s PRO 53 Ca -0.01 1.84 -0.31 0.00 0.04 0.00 0.00 61.00 62.56 3fre s PRO 53 Cb -0.01 -3.18 -0.07 0.00 0.04 0.00 0.00 34.50 31.28 3fre s PRO 53 CO -0.10 0.18 1.35 -0.51 0.04 0.00 0.00 177.00 177.96 3fre s LEU 54 N -1.46 4.37 0.55 -3.56 1.43 -1.26 -4.96 118.68 113.79 3fre s LEU 54 Ca 0.45 2.26 -0.21 0.00 -1.03 0.00 0.00 54.13 55.60 3fre s LEU 54 Cb -0.33 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.26 3fre s LEU 54 CO 0.42 -0.61 1.17 -0.81 0.23 0.00 0.00 176.35 176.75 3fre n PRO 55 N 3.92 1.33 -2.10 1.29 -0.04 -1.26 -3.61 135.00 134.54 3fre n PRO 55 Ca 0.11 0.50 -0.11 0.00 -0.04 0.00 0.00 63.50 63.96 3fre n PRO 55 Cb 0.43 -2.36 -0.01 0.00 -0.04 0.00 0.00 33.50 31.52 3fre n PRO 55 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3fre n ASN 56 N -0.76 -3.68 -3.79 3.54 5.03 -1.26 -4.91 115.26 109.43 3fre n ASN 56 Ca 0.12 0.02 -0.08 0.00 0.87 0.00 0.00 54.58 55.52 3fre n ASN 56 Cb 0.45 -2.83 -0.02 0.00 -1.02 0.00 0.00 39.78 36.36 3fre n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fre s ARG 57 N -4.36 1.67 -0.21 3.52 1.70 -1.24 -0.77 118.95 119.27 3fre s ARG 57 Ca 0.00 -0.89 -0.28 0.00 -0.47 0.00 0.00 55.73 54.09 3fre s ARG 57 Cb 0.00 0.59 0.00 0.00 -0.57 0.00 0.00 34.95 34.98 3fre s ARG 57 CO 0.00 -0.76 1.00 0.50 -1.08 0.00 0.00 175.30 174.96 3fre s ARG 58 N -3.85 4.28 -0.26 3.89 3.52 -0.26 -4.84 118.95 121.44 3fre s ARG 58 Ca 0.10 1.31 -0.10 0.00 -0.13 0.00 0.00 55.73 56.90 3fre s ARG 58 Cb -0.05 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.67 3fre s ARG 58 CO 0.04 -0.55 0.16 -0.80 -0.81 0.00 0.00 175.30 173.34 3fre s ASN 59 N 1.20 5.93 -0.12 -2.12 0.02 -1.26 -1.07 114.94 117.52 3fre s ASN 59 Ca 0.43 0.01 0.02 0.00 -1.02 0.00 0.00 52.86 52.31 3fre s ASN 59 Cb -0.16 -2.09 0.01 0.00 0.02 0.00 0.00 41.25 39.04 3fre s ASN 59 CO 0.08 -0.00 -0.19 -0.69 0.02 0.00 0.00 177.10 176.32 3fre s VAL 60 N 1.48 1.77 -0.14 1.60 1.01 -0.29 -1.05 120.40 124.77 3fre s VAL 60 Ca 0.07 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 3fre s VAL 60 Cb -0.15 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 3fre s VAL 60 CO 0.08 0.49 -0.13 0.68 0.00 0.00 0.00 175.10 176.22 3fre s VAL 61 N 0.79 3.00 -0.18 2.92 -7.23 -0.15 -1.12 120.40 118.42 3fre s VAL 61 Ca -0.09 -0.67 -0.19 0.00 -1.81 0.00 0.00 61.98 59.22 3fre s VAL 61 Cb -0.16 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 3fre s VAL 61 CO 0.00 0.51 0.54 -0.22 -0.31 0.00 0.00 175.10 175.63 3fre s LEU 62 N 0.53 4.18 0.08 1.32 2.96 0.44 -1.78 118.68 126.41 3fre s LEU 62 Ca -0.08 0.75 -0.26 0.00 -0.22 0.00 0.00 54.13 54.31 3fre s LEU 62 Cb -0.16 -2.75 0.07 0.00 0.50 0.00 0.00 46.19 43.85 3fre s LEU 62 CO 0.04 -0.16 0.64 0.28 -1.32 0.00 0.00 176.35 175.83 3fre s THR 63 N 1.47 0.00 -0.86 3.68 -1.32 -0.67 -2.86 115.64 115.08 3fre s THR 63 Ca 0.26 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.00 3fre s THR 63 Cb -0.16 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 69.95 3fre s THR 63 CO 0.10 0.00 1.57 -1.54 -2.21 0.00 0.00 174.62 172.54 3fre n SER 64 N 0.06 0.48 -4.58 8.08 3.41 -1.26 -4.21 113.62 115.60 3fre n SER 64 Ca -0.17 0.16 -0.43 0.00 -0.26 0.00 0.00 58.87 58.17 3fre n SER 64 Cb 0.62 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 3fre n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fre s ASP 65 N -3.57 6.56 0.00 4.04 3.68 -1.26 -4.87 116.67 121.25 3fre s ASP 65 Ca 0.10 0.28 0.25 0.00 2.13 0.00 0.00 52.55 55.32 3fre s ASP 65 Cb 0.16 -2.52 1.24 0.00 -1.45 0.00 0.00 42.92 40.35 3fre s ASP 65 CO 0.65 -1.23 1.84 0.35 0.13 0.00 0.00 175.17 176.90 3fre n THR 66 N 6.69 0.21 0.31 1.71 -2.24 -1.26 -1.80 114.28 117.90 3fre n THR 66 Ca 0.10 0.05 0.11 0.00 -2.27 0.00 0.00 64.05 62.04 3fre n THR 66 Cb 0.49 -0.64 0.25 0.00 -2.10 0.00 0.00 70.33 68.34 3fre n THR 66 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3fre n SER 67 N -1.32 3.29 -4.64 3.42 7.64 -1.26 -4.87 113.62 115.89 3fre n SER 67 Ca 0.11 -1.97 -0.43 0.00 1.01 0.00 0.00 58.87 57.60 3fre n SER 67 Cb 0.22 -0.29 -0.02 0.00 -1.01 0.00 0.00 64.21 63.11 3fre n SER 67 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3fre s PHE 68 N -1.43 2.36 -0.48 1.43 5.36 -0.74 -4.92 117.98 119.55 3fre s PHE 68 Ca 0.40 0.67 0.06 0.00 -0.96 0.00 0.00 56.93 57.10 3fre s PHE 68 Cb 0.22 -3.90 0.20 0.00 -0.34 0.00 0.00 43.02 39.20 3fre s PHE 68 CO 0.31 -2.48 0.68 -1.71 -1.46 0.00 0.00 175.22 170.56 3fre n ASN 69 N 7.89 -2.52 -4.81 6.13 5.15 -1.26 -4.91 115.26 120.93 3fre n ASN 69 Ca 0.17 -2.89 -0.36 0.00 -0.60 0.00 0.00 54.58 50.89 3fre n ASN 69 Cb 0.45 1.17 -0.07 0.00 -0.53 0.00 0.00 39.78 40.81 3fre n ASN 69 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3fre s VAL 70 N 0.53 5.41 0.15 3.44 1.01 -1.26 -5.03 120.40 124.64 3fre s VAL 70 Ca 0.31 0.31 -0.31 0.00 0.00 0.00 0.00 61.98 62.29 3fre s VAL 70 Cb 0.07 -3.48 -0.10 0.00 0.00 0.00 0.00 36.38 32.87 3fre s VAL 70 CO -0.13 0.53 1.60 -0.70 0.00 0.00 0.00 175.10 176.40 3fre s GLU 71 N -0.39 4.20 0.00 2.72 -6.30 -1.26 -1.72 118.70 115.95 3fre s GLU 71 Ca 0.14 2.39 0.00 0.00 -2.50 0.00 0.00 54.97 54.99 3fre s GLU 71 Cb -0.12 -3.23 0.00 0.00 0.00 0.00 0.00 34.13 30.78 3fre s GLU 71 CO 0.03 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.07 3fre n GLY 72 N 3.83 0.14 3.17 -1.50 0.00 -1.26 -4.89 105.19 104.68 3fre n GLY 72 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3fre n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fre s VAL 73 N -2.04 1.54 -0.04 1.61 1.01 -0.70 -4.54 120.40 117.24 3fre s VAL 73 Ca 0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 3fre s VAL 73 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 3fre s VAL 73 CO 0.00 0.44 0.21 -1.81 0.00 0.00 0.00 175.10 173.94 3fre s ASP 74 N -0.13 6.45 -0.02 3.32 -0.00 -0.22 -4.48 116.67 121.59 3fre s ASP 74 Ca -0.00 0.50 0.01 0.00 -0.00 0.00 0.00 52.55 53.06 3fre s ASP 74 Cb -0.11 -2.07 -0.03 0.00 -0.00 0.00 0.00 42.92 40.71 3fre s ASP 74 CO 0.02 0.32 -0.03 0.54 -0.00 0.00 0.00 175.17 176.02 3fre s VAL 75 N -1.19 3.99 0.13 -1.27 0.11 -1.26 -0.98 120.40 119.92 3fre s VAL 75 Ca 0.23 -0.57 0.04 0.00 -2.93 0.00 0.00 61.98 58.75 3fre s VAL 75 Cb -0.13 -2.73 -0.04 0.00 -1.53 0.00 0.00 36.38 31.95 3fre s VAL 75 CO 0.12 0.45 -0.10 0.27 -3.33 0.00 0.00 175.10 172.51 3fre s ILE 76 N -0.99 1.06 0.00 7.04 -4.36 -0.73 -4.91 121.20 118.31 3fre s ILE 76 Ca 0.17 -1.92 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 3fre s ILE 76 Cb -0.11 -1.69 0.00 0.00 1.25 0.00 0.00 42.46 41.91 3fre s ILE 76 CO 0.07 -0.70 0.25 1.41 0.24 0.00 0.00 174.94 176.21 3fre n HIS 77 N 0.05 0.00 -4.07 1.37 8.25 -1.26 -1.67 115.22 117.89 3fre n HIS 77 Ca -0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.22 3fre n HIS 77 Cb 0.60 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.60 3fre n HIS 77 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3fre s SER 78 N -0.23 0.84 0.23 0.41 0.15 -1.26 -4.79 113.70 109.05 3fre s SER 78 Ca 0.00 -0.62 -0.06 0.00 0.70 0.00 0.00 55.95 55.97 3fre s SER 78 Cb 0.00 0.05 0.40 0.00 -1.71 0.00 0.00 66.02 64.76 3fre s SER 78 CO 0.00 -0.25 1.73 0.40 1.20 0.00 0.00 173.24 176.31 3fre h ILE 79 N 4.28 0.66 0.00 6.45 1.08 -2.00 -2.87 117.51 125.10 3fre h ILE 79 Ca -0.35 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 3fre h ILE 79 Cb 1.20 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 3fre h ILE 79 CO 0.44 0.07 0.00 -0.33 -0.69 0.00 0.00 178.15 177.65 3fre h GLU 80 N 0.40 0.00 0.00 2.37 4.39 -2.03 0.24 114.58 119.95 3fre h GLU 80 Ca 0.38 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.07 3fre h GLU 80 Cb 0.56 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3fre h GLU 80 CO -0.39 0.00 -0.07 -0.44 -1.16 0.00 0.00 179.01 176.95 3fre h ASP 81 N 0.00 0.00 -0.93 1.42 3.32 -1.93 -3.11 116.42 115.19 3fre h ASP 81 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3fre h ASP 81 Cb 0.18 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 3fre h ASP 81 CO 0.00 0.07 0.62 0.40 -1.72 0.00 0.00 179.24 178.60 3fre h ILE 82 N 0.00 1.24 0.00 0.35 2.04 -1.12 -2.27 117.51 117.75 3fre h ILE 82 Ca -0.00 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3fre h ILE 82 Cb 0.16 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 3fre h ILE 82 CO 0.01 0.23 0.00 -1.22 0.00 0.00 0.00 178.15 177.17 3fre n TYR 83 N -4.43 0.50 0.03 1.37 4.01 -1.18 -1.72 117.16 115.74 3fre n TYR 83 Ca 0.10 0.18 -0.19 0.00 -0.16 0.00 0.00 57.90 57.83 3fre n TYR 83 Cb 0.01 -0.79 -0.10 0.00 -0.31 0.00 0.00 39.34 38.15 3fre n TYR 83 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3fre h GLN 84 N 0.00 0.63 -6.50 -0.72 7.50 -1.56 -3.46 115.11 110.99 3fre h GLN 84 Ca 0.00 -0.66 -0.59 0.00 0.50 0.00 0.00 58.65 57.90 3fre h GLN 84 Cb 0.43 0.18 0.06 0.00 0.05 0.00 0.00 27.48 28.20 3fre h GLN 84 CO 0.00 1.26 0.71 1.28 -1.50 0.00 0.00 178.83 180.58 3fre n LEU 85 N -3.97 2.94 -4.90 1.46 4.77 -0.70 -4.96 117.00 111.65 3fre n LEU 85 Ca -0.11 1.10 -0.28 0.00 -0.03 0.00 0.00 56.01 56.69 3fre n LEU 85 Cb 0.81 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 3fre n LEU 85 CO 0.53 -0.42 0.50 -2.16 -1.33 0.00 0.00 177.39 174.51 3fre s PRO 86 N 0.52 3.56 0.70 3.23 0.04 -1.26 -4.95 135.00 136.83 3fre s PRO 86 Ca 0.76 0.32 0.00 0.00 0.04 0.00 0.00 61.00 62.12 3fre s PRO 86 Cb -0.70 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 31.53 3fre s PRO 86 CO 0.42 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.59 3fre n GLY 87 N -2.34 -1.77 3.58 0.56 0.00 -1.26 -4.73 105.19 99.22 3fre n GLY 87 Ca 0.02 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 3fre n GLY 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fre s HIS 88 N 0.00 3.11 -0.18 1.61 5.65 -1.26 -3.79 115.29 120.44 3fre s HIS 88 Ca 0.00 0.49 -0.05 0.00 0.25 0.00 0.00 55.06 55.75 3fre s HIS 88 Cb 0.00 -3.36 -0.03 0.00 -1.18 0.00 0.00 32.58 28.01 3fre s HIS 88 CO 0.00 -0.73 0.01 0.08 -0.65 0.00 0.00 174.74 173.45 3fre s VAL 89 N 3.03 4.19 -0.25 0.89 1.01 -0.84 -1.69 120.40 126.74 3fre s VAL 89 Ca 0.30 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 3fre s VAL 89 Cb -0.13 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3fre s VAL 89 CO 0.17 0.46 0.06 -0.36 0.00 0.00 0.00 175.10 175.43 3fre s PHE 90 N 0.58 3.08 -0.21 5.22 0.08 0.20 -0.91 117.98 126.03 3fre s PHE 90 Ca -0.00 -0.58 -0.29 0.00 0.12 0.00 0.00 56.93 56.18 3fre s PHE 90 Cb -0.14 -2.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.06 3fre s PHE 90 CO 0.02 -0.42 1.58 0.42 -0.10 0.00 0.00 175.22 176.72 3fre s ILE 91 N 1.58 3.75 -0.70 0.64 -1.09 0.24 -0.57 121.20 125.05 3fre s ILE 91 Ca 0.06 0.85 0.19 0.00 -2.23 0.00 0.00 60.65 59.52 3fre s ILE 91 Cb -0.15 -3.73 -0.22 0.00 -1.58 0.00 0.00 42.46 36.77 3fre s ILE 91 CO 0.03 -0.28 0.72 0.33 -1.23 0.00 0.00 174.94 174.51 3fre n PHE 92 N 8.17 0.00 0.00 3.97 -0.00 0.94 -1.42 117.46 129.12 3fre n PHE 92 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 3fre n PHE 92 Cb 0.45 -0.10 0.00 0.00 -0.00 0.00 0.00 39.48 39.83 3fre n PHE 92 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3fre n GLY 93 N 1.43 2.00 0.00 7.13 0.00 -1.26 -4.88 105.19 109.61 3fre n GLY 93 Ca 0.02 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3fre n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fre n GLY 94 N -1.37 1.61 0.26 -0.02 0.00 -1.26 -0.83 105.19 103.57 3fre n GLY 94 Ca 0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 46.02 44.75 3fre n GLY 94 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3fre h GLN 95 N 0.00 -0.12 -0.53 1.61 4.15 -1.97 -0.68 115.11 117.57 3fre h GLN 95 Ca 0.00 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.46 3fre h GLN 95 Cb 0.00 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 3fre h GLN 95 CO 0.00 -0.08 0.30 1.15 -1.93 0.00 0.00 178.83 178.26 3fre h THR 96 N -0.13 1.01 -0.49 2.39 2.02 -1.93 -0.57 112.91 115.21 3fre h THR 96 Ca 0.20 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 3fre h THR 96 Cb 0.45 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3fre h THR 96 CO -0.51 0.11 -0.01 -0.07 0.37 0.00 0.00 175.52 175.41 3fre h LEU 97 N 0.58 0.85 -0.51 2.58 3.38 -1.51 -1.85 115.31 118.84 3fre h LEU 97 Ca 0.22 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3fre h LEU 97 Cb 0.08 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3fre h LEU 97 CO -0.12 0.96 0.22 -0.26 0.09 0.00 0.00 178.44 179.33 3fre h PHE 98 N 0.73 0.76 -0.58 1.13 0.05 -0.71 -1.50 116.94 116.82 3fre h PHE 98 Ca 0.14 -0.05 0.10 0.00 3.82 0.00 0.00 57.97 61.98 3fre h PHE 98 Cb 0.52 -0.23 -0.07 0.00 2.00 0.00 0.00 35.95 38.17 3fre h PHE 98 CO 0.04 0.62 0.18 0.93 -0.18 0.00 0.00 178.31 179.90 3fre h GLU 99 N 0.68 0.33 0.00 1.51 5.08 -0.95 -0.90 114.58 120.34 3fre h GLU 99 Ca 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3fre h GLU 99 Cb 0.16 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3fre h GLU 99 CO -0.02 0.22 0.00 0.93 -1.00 0.00 0.00 179.01 179.14 3fre h GLU 100 N 0.34 0.00 0.00 2.33 5.08 -0.78 -3.34 114.58 118.21 3fre h GLU 100 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3fre h GLU 100 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3fre h GLU 100 CO -0.33 0.00 -1.06 -1.33 -1.00 0.00 0.00 179.01 175.29 3fre n MET 101 N -3.07 1.16 0.11 2.33 2.81 -0.62 -4.69 117.12 115.15 3fre n MET 101 Ca 0.03 -0.04 0.04 0.00 -1.81 0.00 0.00 57.70 55.91 3fre n MET 101 Cb 0.43 -1.06 0.46 0.00 -0.71 0.00 0.00 33.22 32.33 3fre n MET 101 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3fre h ILE 102 N 0.00 1.11 -0.00 2.02 6.09 -1.30 0.47 117.51 125.91 3fre h ILE 102 Ca 0.00 -0.40 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 3fre h ILE 102 Cb 0.24 0.92 0.00 0.00 0.47 0.00 0.00 36.82 38.45 3fre h ILE 102 CO 0.00 0.14 -0.00 0.47 -3.07 0.00 0.00 178.15 175.69 3fre n ASP 103 N -4.40 0.01 -0.03 2.19 10.43 -1.26 -4.13 116.55 119.35 3fre n ASP 103 Ca 0.00 -0.83 -0.01 0.00 2.57 0.00 0.00 54.79 56.51 3fre n ASP 103 Cb 0.16 -0.06 -0.06 0.00 1.84 0.00 0.00 41.12 43.00 3fre n ASP 103 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3fre n LYS 104 N -1.05 2.13 -2.43 -1.24 4.76 0.16 -5.05 118.16 115.44 3fre n LYS 104 Ca 0.22 -0.02 -0.28 0.00 -2.87 0.00 0.00 58.31 55.36 3fre n LYS 104 Cb 0.14 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 3fre n LYS 104 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3fre s VAL 105 N -2.27 4.77 0.07 -0.18 -7.23 -0.90 -5.00 120.40 109.67 3fre s VAL 105 Ca -0.03 0.36 -0.15 0.00 -1.81 0.00 0.00 61.98 60.34 3fre s VAL 105 Cb 0.03 -3.84 -0.19 0.00 0.56 0.00 0.00 36.38 32.94 3fre s VAL 105 CO 0.29 -0.90 1.24 0.44 -0.31 0.00 0.00 175.10 175.86 3fre h ASP 106 N 0.06 0.83 -5.08 4.85 3.32 -1.25 -3.46 116.42 115.69 3fre h ASP 106 Ca -0.46 -0.67 0.01 0.00 0.02 0.00 0.00 57.03 55.93 3fre h ASP 106 Cb 1.20 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 40.43 3fre h ASP 106 CO 0.62 1.37 0.10 1.51 -1.72 0.00 0.00 179.24 181.12 3fre s ASP 107 N -7.02 -0.23 -0.03 6.45 3.84 -1.22 -2.49 116.67 115.97 3fre s ASP 107 Ca -0.11 -0.64 0.01 0.00 -0.00 0.00 0.00 52.55 51.81 3fre s ASP 107 Cb 0.07 0.65 0.02 0.00 -1.38 0.00 0.00 42.92 42.28 3fre s ASP 107 CO 0.88 -1.22 -0.03 -0.04 -0.00 0.00 0.00 175.17 174.76 3fre s MET 108 N -3.93 0.62 -0.48 2.11 -1.94 0.05 -1.56 119.30 114.17 3fre s MET 108 Ca 0.13 -0.07 -0.15 0.00 -1.71 0.00 0.00 55.69 53.89 3fre s MET 108 Cb -0.03 -0.66 0.08 0.00 2.01 0.00 0.00 34.83 36.23 3fre s MET 108 CO 0.05 -0.06 0.40 0.71 -0.01 0.00 0.00 175.02 176.11 3fre s TYR 109 N 0.74 3.25 -0.11 -0.03 1.51 0.95 -0.92 117.35 122.75 3fre s TYR 109 Ca -0.09 -1.03 -0.01 0.00 -1.01 0.00 0.00 57.07 54.93 3fre s TYR 109 Cb -0.12 -3.24 -0.03 0.00 -0.11 0.00 0.00 41.96 38.46 3fre s TYR 109 CO -0.00 -0.83 -0.08 0.42 -1.11 0.00 0.00 175.55 173.95 3fre s ILE 110 N 1.62 3.59 -0.37 2.71 1.01 0.66 -1.66 121.20 128.76 3fre s ILE 110 Ca 0.04 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 60.07 3fre s ILE 110 Cb -0.25 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.72 3fre s ILE 110 CO 0.06 0.55 0.24 -0.89 0.00 0.00 0.00 174.94 174.90 3fre s THR 111 N -0.18 5.08 -0.43 2.92 2.01 0.81 0.18 115.64 126.03 3fre s THR 111 Ca 0.02 -0.49 -0.28 0.00 0.31 0.00 0.00 61.69 61.25 3fre s THR 111 Cb -0.13 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.69 3fre s THR 111 CO 0.03 -0.14 1.05 -0.69 -0.69 0.00 0.00 174.62 174.17 3fre s VAL 112 N 1.67 4.38 -0.40 3.82 1.01 -0.25 -0.69 120.40 129.94 3fre s VAL 112 Ca 0.05 1.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.96 3fre s VAL 112 Cb -0.18 -4.49 0.02 0.00 0.00 0.00 0.00 36.38 31.73 3fre s VAL 112 CO 0.09 -0.79 1.19 -0.63 0.00 0.00 0.00 175.10 174.96 3fre s ILE 113 N 3.99 4.22 -1.46 2.22 -1.09 0.96 -1.20 121.20 128.84 3fre s ILE 113 Ca 0.43 1.31 -0.09 0.00 -2.23 0.00 0.00 60.65 60.07 3fre s ILE 113 Cb -0.09 -4.43 -0.09 0.00 -1.58 0.00 0.00 42.46 36.26 3fre s ILE 113 CO 0.25 -0.77 2.98 -0.62 -1.23 0.00 0.00 174.94 175.55 3fre n GLU 114 N 7.57 3.62 -3.86 2.79 -0.58 -0.09 -2.68 120.64 127.42 3fre n GLU 114 Ca 0.13 -2.20 -0.08 0.00 -0.42 0.00 0.00 57.16 54.60 3fre n GLU 114 Cb 0.48 -2.71 -0.01 0.00 -0.57 0.00 0.00 31.44 28.62 3fre n GLU 114 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3fre s GLY 115 N 2.00 0.10 -0.21 0.62 0.00 -1.26 -4.72 107.32 103.85 3fre s GLY 115 Ca 0.68 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 44.93 3fre s GLY 115 CO -0.06 -0.20 -0.09 0.54 0.00 0.00 0.00 173.10 173.29 3fre s LYS 116 N -3.52 1.92 0.13 2.90 1.02 -1.26 -1.30 119.74 119.63 3fre s LYS 116 Ca 0.13 -0.87 0.07 0.00 0.02 0.00 0.00 55.97 55.32 3fre s LYS 116 Cb -0.05 -2.44 -0.04 0.00 -0.52 0.00 0.00 37.83 34.77 3fre s LYS 116 CO 0.08 -0.47 -0.07 -0.06 -0.92 0.00 0.00 175.35 173.92 3fre s PHE 117 N 1.40 2.76 0.03 3.18 0.08 -1.26 -5.07 117.98 119.11 3fre s PHE 117 Ca -0.02 -0.15 -0.30 0.00 0.12 0.00 0.00 56.93 56.57 3fre s PHE 117 Cb -0.17 -1.40 -0.07 0.00 -0.57 0.00 0.00 43.02 40.81 3fre s PHE 117 CO -0.08 0.47 1.54 0.50 -0.10 0.00 0.00 175.22 177.55 3fre s ARG 118 N -2.49 4.24 0.09 0.44 3.52 -1.26 -4.93 118.95 118.56 3fre s ARG 118 Ca 0.24 2.16 -0.00 0.00 -0.13 0.00 0.00 55.73 57.99 3fre s ARG 118 Cb -0.10 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 3fre s ARG 118 CO 0.15 -0.67 -0.02 0.20 -0.81 0.00 0.00 175.30 174.16 3fre s GLY 119 N 2.19 0.71 0.00 8.12 0.00 -1.26 -4.66 107.32 112.42 3fre s GLY 119 Ca 0.69 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 44.08 3fre s GLY 119 CO 0.29 -1.38 0.33 2.09 0.00 0.00 0.00 173.10 174.44 3fre n ASP 120 N 0.00 0.54 -3.92 1.64 3.85 0.40 -4.96 116.55 114.11 3fre n ASP 120 Ca -0.11 -1.10 -0.10 0.00 -0.71 0.00 0.00 54.79 52.77 3fre n ASP 120 Cb 0.62 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 40.27 3fre n ASP 120 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3fre s THR 121 N -0.10 0.06 0.03 2.12 -4.23 -1.02 -5.00 115.64 107.50 3fre s THR 121 Ca 0.00 -0.50 0.03 0.00 -1.18 0.00 0.00 61.69 60.03 3fre s THR 121 Cb 0.00 -0.17 -0.02 0.00 1.34 0.00 0.00 72.50 73.65 3fre s THR 121 CO 0.00 -0.28 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.36 3fre s PHE 122 N -0.82 0.71 0.24 3.99 0.08 -1.26 -0.73 117.98 120.19 3fre s PHE 122 Ca -0.09 -0.34 -0.30 0.00 0.12 0.00 0.00 56.93 56.32 3fre s PHE 122 Cb -0.06 -0.43 -0.09 0.00 -0.57 0.00 0.00 43.02 41.87 3fre s PHE 122 CO -0.00 -0.04 1.09 0.12 -0.10 0.00 0.00 175.22 176.29 3fre s PHE 123 N -0.89 3.61 0.45 0.36 5.36 0.52 -4.65 117.98 122.74 3fre s PHE 123 Ca -0.04 1.67 -0.24 0.00 -0.96 0.00 0.00 56.93 57.35 3fre s PHE 123 Cb -0.07 -3.27 -0.08 0.00 -0.34 0.00 0.00 43.02 39.27 3fre s PHE 123 CO 0.00 -0.53 1.29 -1.25 -1.46 0.00 0.00 175.22 173.27 3fre s PRO 124 N -0.98 3.75 0.48 10.12 0.04 -1.26 -4.87 135.00 142.28 3fre s PRO 124 Ca 0.46 2.09 -0.21 0.00 0.04 0.00 0.00 61.00 63.38 3fre s PRO 124 Cb -0.31 -2.58 -0.10 0.00 0.04 0.00 0.00 34.50 31.56 3fre s PRO 124 CO 0.38 -0.65 0.76 -0.35 0.04 0.00 0.00 177.00 177.18 3fre n PRO 125 N -0.25 0.87 -3.81 0.56 -0.04 -1.26 -5.03 135.00 126.04 3fre n PRO 125 Ca 0.06 0.32 -0.09 0.00 -0.04 0.00 0.00 63.50 63.75 3fre n PRO 125 Cb 0.45 -1.84 -0.07 0.00 -0.04 0.00 0.00 33.50 32.01 3fre n PRO 125 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3fre s TYR 126 N -1.47 0.08 0.10 0.54 -0.85 -1.26 -5.17 117.35 109.31 3fre s TYR 126 Ca 0.67 -0.48 0.08 0.00 -0.52 0.00 0.00 57.07 56.82 3fre s TYR 126 Cb -0.52 0.02 -0.04 0.00 0.38 0.00 0.00 41.96 41.80 3fre s TYR 126 CO 0.55 -0.59 -0.17 0.95 -1.52 0.00 0.00 175.55 174.77 3fre s THR 127 N -3.85 2.90 -1.16 -3.49 -4.23 -1.26 -5.00 115.64 99.55 3fre s THR 127 Ca 0.05 -1.40 0.28 0.00 -1.18 0.00 0.00 61.69 59.44 3fre s THR 127 Cb 0.04 -2.31 0.33 0.00 1.34 0.00 0.00 72.50 71.90 3fre s THR 127 CO -0.11 0.15 1.93 0.49 -0.54 0.00 0.00 174.62 176.54 3fre n PHE 128 N 0.95 0.00 0.03 3.99 3.72 -1.26 -1.84 117.46 123.05 3fre n PHE 128 Ca -0.15 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.45 3fre n PHE 128 Cb 0.52 -0.42 0.72 0.00 -0.94 0.00 0.00 39.48 39.37 3fre n PHE 128 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3fre h GLU 129 N 0.00 0.00 -0.00 -1.08 5.08 -2.03 -2.90 114.58 113.65 3fre h GLU 129 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fre h GLU 129 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3fre h GLU 129 CO 0.00 0.00 -0.55 -0.25 -1.00 0.00 0.00 179.01 177.21 3fre n ASP 130 N -4.13 0.98 -3.67 1.42 10.43 -0.77 -4.87 116.55 115.95 3fre n ASP 130 Ca 0.09 -0.99 -0.19 0.00 2.57 0.00 0.00 54.79 56.27 3fre n ASP 130 Cb 0.62 0.82 -0.18 0.00 1.84 0.00 0.00 41.12 44.22 3fre n ASP 130 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3fre s TRP 131 N -2.16 0.02 0.11 1.24 0.52 -1.09 -0.22 118.94 117.36 3fre s TRP 131 Ca 0.08 0.31 -0.18 0.00 0.02 0.00 0.00 56.10 56.34 3fre s TRP 131 Cb 0.11 -0.44 -0.07 0.00 -1.15 0.00 0.00 33.47 31.92 3fre s TRP 131 CO 0.51 -0.20 0.58 -2.00 0.02 0.00 0.00 176.95 175.86 3fre s GLU 132 N 2.16 4.13 -0.82 4.98 2.12 0.48 -4.57 118.70 127.18 3fre s GLU 132 Ca 0.04 0.66 -0.22 0.00 0.36 0.00 0.00 54.97 55.82 3fre s GLU 132 Cb -0.12 -3.10 0.08 0.00 0.26 0.00 0.00 34.13 31.25 3fre s GLU 132 CO -0.03 0.56 1.15 0.08 -0.54 0.00 0.00 175.26 176.47 3fre s VAL 133 N -1.27 4.30 0.31 3.70 1.01 -1.26 -0.62 120.40 126.57 3fre s VAL 133 Ca 0.33 -0.72 0.16 0.00 0.00 0.00 0.00 61.98 61.75 3fre s VAL 133 Cb -0.18 -4.81 0.12 0.00 0.00 0.00 0.00 36.38 31.51 3fre s VAL 133 CO 0.19 -1.61 1.81 0.00 0.00 0.00 0.00 175.10 175.49 3fre h ALA 134 N 9.44 1.21 -1.70 5.51 0.00 -1.32 -3.46 119.26 128.93 3fre h ALA 134 Ca -0.06 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.56 3fre h ALA 134 Cb 1.04 -0.06 -0.23 0.00 0.00 0.00 0.00 17.79 18.54 3fre h ALA 134 CO 1.22 0.45 0.41 -1.54 0.00 0.00 0.00 179.25 179.79 3fre s SER 135 N -6.66 -0.49 -0.12 0.00 1.04 -1.11 -4.97 113.70 101.39 3fre s SER 135 Ca -0.02 0.71 -0.04 0.00 0.48 0.00 0.00 55.95 57.09 3fre s SER 135 Cb 0.13 0.65 0.05 0.00 0.10 0.00 0.00 66.02 66.94 3fre s SER 135 CO 0.70 -0.32 0.07 -0.55 0.98 0.00 0.00 173.24 174.11 3fre s SER 136 N -0.56 1.97 -0.12 7.02 0.15 -1.26 -1.53 113.70 119.36 3fre s SER 136 Ca -0.02 -0.38 0.01 0.00 0.70 0.00 0.00 55.95 56.27 3fre s SER 136 Cb -0.02 -0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.05 3fre s SER 136 CO 0.01 -0.30 -0.14 -0.69 1.20 0.00 0.00 173.24 173.31 3fre s VAL 137 N 2.11 1.50 0.10 4.45 1.01 -0.35 -4.96 120.40 124.25 3fre s VAL 137 Ca 0.03 -0.62 -0.32 0.00 0.00 0.00 0.00 61.98 61.07 3fre s VAL 137 Cb -0.15 -1.39 -0.11 0.00 0.00 0.00 0.00 36.38 34.73 3fre s VAL 137 CO -0.07 0.44 1.82 -0.62 0.00 0.00 0.00 175.10 176.67 3fre n GLU 138 N 4.45 2.63 -2.00 2.72 1.02 -1.26 -0.39 120.64 127.81 3fre n GLU 138 Ca -0.18 0.96 -0.40 0.00 -0.02 0.00 0.00 57.16 57.52 3fre n GLU 138 Cb 0.51 -2.83 -0.00 0.00 -0.02 0.00 0.00 31.44 29.09 3fre n GLU 138 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3fre s GLY 139 N 2.76 2.94 0.06 0.62 0.00 0.77 -4.90 107.32 109.57 3fre s GLY 139 Ca 0.83 1.31 -0.15 0.00 0.00 0.00 0.00 44.72 46.71 3fre s GLY 139 CO 0.40 1.93 0.48 0.54 0.00 0.00 0.00 173.10 176.44 3fre s LYS 140 N -2.16 3.98 0.05 2.90 1.02 -1.26 -4.60 119.74 119.67 3fre s LYS 140 Ca 0.55 0.47 -0.03 0.00 0.02 0.00 0.00 55.97 56.98 3fre s LYS 140 Cb -0.40 -3.13 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 3fre s LYS 140 CO 0.52 0.62 0.26 -0.51 -0.92 0.00 0.00 175.35 175.32 3fre s LEU 141 N -1.39 4.34 0.00 3.17 1.43 -1.26 -4.92 118.68 120.06 3fre s LEU 141 Ca 0.29 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 3fre s LEU 141 Cb -0.17 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.16 3fre s LEU 141 CO 0.17 0.18 0.00 -0.90 0.23 0.00 0.00 176.35 176.03 3fre n ASP 142 N 0.59 0.00 -0.21 2.29 5.75 -0.60 -4.97 116.55 119.40 3fre n ASP 142 Ca -0.07 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.65 3fre n ASP 142 Cb 0.52 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.70 3fre n ASP 142 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3fre h GLU 143 N 0.00 1.04 0.00 0.11 4.57 -2.01 -2.78 114.58 115.51 3fre h GLU 143 Ca 0.00 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3fre h GLU 143 Cb 0.00 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 3fre h GLU 143 CO 0.00 0.93 -0.65 0.87 -1.18 0.00 0.00 179.01 178.99 3fre h LYS 144 N 0.99 0.00 -2.78 1.92 1.79 -2.00 -3.43 116.57 113.06 3fre h LYS 144 Ca 0.20 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 58.07 3fre h LYS 144 Cb 0.38 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.63 3fre h LYS 144 CO 0.00 0.00 -0.80 -0.80 -1.08 0.00 0.00 179.45 176.78 3fre s ASN 145 N -5.06 3.18 0.00 0.86 0.01 -1.05 -4.48 114.94 108.40 3fre s ASN 145 Ca 0.04 -2.69 0.05 0.00 -0.71 0.00 0.00 52.86 49.55 3fre s ASN 145 Cb 0.10 -0.81 -0.02 0.00 0.41 0.00 0.00 41.25 40.93 3fre s ASN 145 CO 0.74 -0.25 0.32 0.35 -1.51 0.00 0.00 177.10 176.75 3fre n THR 146 N 3.42 0.00 -3.46 1.60 -2.24 -1.25 -1.55 114.28 110.80 3fre n THR 146 Ca 0.14 -0.42 -0.38 0.00 -2.27 0.00 0.00 64.05 61.12 3fre n THR 146 Cb 0.38 1.03 -0.09 0.00 -2.10 0.00 0.00 70.33 69.55 3fre n THR 146 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3fre s ILE 147 N -1.14 5.23 0.41 2.28 1.10 -1.26 -5.00 121.20 122.82 3fre s ILE 147 Ca 0.03 0.52 -0.25 0.00 -0.51 0.00 0.00 60.65 60.43 3fre s ILE 147 Cb 0.04 -3.66 -0.10 0.00 0.15 0.00 0.00 42.46 38.88 3fre s ILE 147 CO 0.15 0.24 1.20 -0.81 -2.11 0.00 0.00 174.94 173.61 3fre n PRO 148 N 4.76 1.78 -3.58 3.50 -0.04 -1.26 -4.87 135.00 135.29 3fre n PRO 148 Ca -0.10 0.63 -0.16 0.00 -0.04 0.00 0.00 63.50 63.83 3fre n PRO 148 Cb 0.51 -2.28 -0.07 0.00 -0.04 0.00 0.00 33.50 31.63 3fre n PRO 148 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3fre s HIS 149 N -1.20 -0.71 -0.08 0.54 -3.43 -1.26 -0.91 115.29 108.24 3fre s HIS 149 Ca 0.61 1.49 0.03 0.00 -0.80 0.00 0.00 55.06 56.39 3fre s HIS 149 Cb -0.53 0.33 0.01 0.00 -1.43 0.00 0.00 32.58 30.96 3fre s HIS 149 CO 0.58 -0.49 -0.19 0.99 -2.00 0.00 0.00 174.74 173.64 3fre s THR 150 N -0.42 1.64 -0.41 -5.38 2.01 -0.34 -0.16 115.64 112.58 3fre s THR 150 Ca -0.06 -0.77 -0.23 0.00 0.31 0.00 0.00 61.69 60.94 3fre s THR 150 Cb -0.03 -1.44 0.02 0.00 0.01 0.00 0.00 72.50 71.06 3fre s THR 150 CO 0.05 0.47 0.79 -0.36 -0.69 0.00 0.00 174.62 174.88 3fre s PHE 151 N 0.49 3.05 -0.16 4.92 0.08 0.47 -1.09 117.98 125.74 3fre s PHE 151 Ca -0.17 0.36 -0.07 0.00 0.12 0.00 0.00 56.93 57.17 3fre s PHE 151 Cb -0.17 -3.55 -0.04 0.00 -0.57 0.00 0.00 43.02 38.69 3fre s PHE 151 CO 0.07 -0.87 0.06 -0.51 -0.10 0.00 0.00 175.22 173.87 3fre s LEU 152 N 3.22 3.86 -0.31 -0.37 1.43 0.13 -1.21 118.68 125.43 3fre s LEU 152 Ca 0.31 0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 53.47 3fre s LEU 152 Cb -0.12 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.15 3fre s LEU 152 CO 0.20 0.23 0.10 -2.28 0.23 0.00 0.00 176.35 174.83 3fre s HIS 153 N 0.05 3.17 -0.05 0.29 5.65 -0.58 -0.25 115.29 123.57 3fre s HIS 153 Ca 0.06 -0.97 0.02 0.00 0.25 0.00 0.00 55.06 54.41 3fre s HIS 153 Cb -0.12 -2.29 -0.03 0.00 -1.18 0.00 0.00 32.58 28.96 3fre s HIS 153 CO 0.01 -0.58 -0.09 -0.51 -0.65 0.00 0.00 174.74 172.92 3fre s LEU 154 N 1.51 3.07 -0.09 8.88 1.43 -0.09 -0.79 118.68 132.59 3fre s LEU 154 Ca 0.02 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3fre s LEU 154 Cb -0.18 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.37 3fre s LEU 154 CO 0.03 0.35 -0.19 -0.63 0.23 0.00 0.00 176.35 176.14 3fre s ILE 155 N -0.83 1.70 0.09 -0.59 1.01 0.21 -0.77 121.20 122.02 3fre s ILE 155 Ca 0.13 -0.80 -0.33 0.00 0.00 0.00 0.00 60.65 59.65 3fre s ILE 155 Cb -0.11 -1.50 -0.12 0.00 0.01 0.00 0.00 42.46 40.75 3fre s ILE 155 CO 0.02 0.48 1.77 -1.14 0.00 0.00 0.00 174.94 176.07 3fre n ARG 156 N 3.73 2.46 0.00 2.79 0.63 -1.04 -0.39 116.66 124.85 3fre n ARG 156 Ca -0.20 0.89 0.03 0.00 -0.92 0.00 0.00 57.85 57.65 3fre n ARG 156 Cb 0.52 -2.74 0.18 0.00 0.45 0.00 0.00 32.46 30.87 3fre n ARG 156 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75