#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iab h VAL 15 N 0.00 0.26 -2.85 5.15 3.04 -1.54 -3.40 116.25 116.91 3iab h VAL 15 Ca 0.00 -0.07 -0.09 0.00 -1.01 0.00 0.00 66.70 65.53 3iab h VAL 15 Cb 0.00 0.05 -0.19 0.00 -2.01 0.00 0.00 31.29 29.14 3iab h VAL 15 CO 0.00 0.04 -0.14 0.28 -1.01 0.00 0.00 177.57 176.74 3iab s THR 16 N -5.86 0.05 -0.17 3.17 -1.32 -1.16 -5.04 115.64 105.30 3iab s THR 16 Ca -0.12 -0.39 0.01 0.00 -1.21 0.00 0.00 61.69 59.98 3iab s THR 16 Cb 0.28 -0.80 0.02 0.00 -1.51 0.00 0.00 72.50 70.49 3iab s THR 16 CO 0.78 -0.22 -0.19 -1.59 -2.21 0.00 0.00 174.62 171.19 3iab s LYS 17 N -1.69 2.82 0.42 7.08 -2.85 -1.26 -1.66 119.74 122.60 3iab s LYS 17 Ca -0.10 -0.76 -0.23 0.00 -1.00 0.00 0.00 55.97 53.88 3iab s LYS 17 Cb -0.03 -2.45 -0.10 0.00 -2.06 0.00 0.00 37.83 33.20 3iab s LYS 17 CO 0.03 -0.21 1.00 -1.01 0.10 0.00 0.00 175.35 175.26 3iab s HIS 18 N 1.32 3.27 1.05 1.78 3.76 -0.21 -5.02 115.29 121.24 3iab s HIS 18 Ca 0.05 1.64 -0.17 0.00 -0.15 0.00 0.00 55.06 56.43 3iab s HIS 18 Cb -0.13 -3.00 0.22 0.00 1.11 0.00 0.00 32.58 30.78 3iab s HIS 18 CO -0.12 -0.41 1.21 -1.25 -0.85 0.00 0.00 174.74 173.32 3iab s PRO 19 N -2.81 0.00 0.39 8.40 0.04 -1.26 -4.16 135.00 135.61 3iab s PRO 19 Ca 0.60 -0.16 -0.24 0.00 0.04 0.00 0.00 61.00 61.25 3iab s PRO 19 Cb -0.16 -1.75 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 3iab s PRO 19 CO 0.21 -2.88 1.01 -1.54 0.04 0.00 0.00 177.00 173.84 3iab s SER 20 N -4.36 6.88 0.12 6.66 1.04 -1.26 -4.66 113.70 118.13 3iab s SER 20 Ca 0.71 1.93 -0.30 0.00 0.48 0.00 0.00 55.95 58.77 3iab s SER 20 Cb -0.08 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.39 3iab s SER 20 CO 0.54 -0.40 1.23 -0.76 0.98 0.00 0.00 173.24 174.83 3iab s LEU 21 N -2.66 4.40 -0.39 2.42 1.43 -1.26 -5.02 118.68 117.61 3iab s LEU 21 Ca 0.57 2.16 0.02 0.00 -1.03 0.00 0.00 54.13 55.86 3iab s LEU 21 Cb -0.19 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.56 3iab s LEU 21 CO 0.24 -0.46 0.16 -0.54 0.23 0.00 0.00 176.35 175.98 3iab s LYS 22 N 0.51 1.21 -1.28 1.70 1.02 -1.26 -5.04 119.74 116.60 3iab s LYS 22 Ca 0.57 -1.75 -0.19 0.00 0.02 0.00 0.00 55.97 54.63 3iab s LYS 22 Cb -0.32 -2.50 0.03 0.00 -0.52 0.00 0.00 37.83 34.52 3iab s LYS 22 CO 0.33 -1.06 1.84 2.41 -0.92 0.00 0.00 175.35 177.95 3iab n THR 23 N 4.05 3.41 -4.41 2.17 -1.04 -1.26 -4.92 114.28 112.27 3iab n THR 23 Ca 0.04 -3.47 -0.31 0.00 -2.04 0.00 0.00 64.05 58.27 3iab n THR 23 Cb 0.38 -2.34 -0.10 0.00 -1.82 0.00 0.00 70.33 66.44 3iab n THR 23 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3iab s LEU 24 N 5.26 3.05 0.60 -4.42 1.43 -1.26 -5.13 118.68 118.21 3iab s LEU 24 Ca 0.56 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.38 3iab s LEU 24 Cb 0.05 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.51 3iab s LEU 24 CO 0.07 0.24 0.86 0.42 0.23 0.00 0.00 176.35 178.18 3iab s THR 25 N -1.06 2.71 0.33 5.49 -4.23 -1.26 -4.92 115.64 112.70 3iab s THR 25 Ca 0.18 -0.46 0.04 0.00 -1.18 0.00 0.00 61.69 60.27 3iab s THR 25 Cb -0.11 -3.07 0.29 0.00 1.34 0.00 0.00 72.50 70.95 3iab s THR 25 CO 0.09 -0.06 1.91 -0.74 -0.54 0.00 0.00 174.62 175.28 3iab h HIS 26 N -0.16 0.92 0.00 3.99 2.76 -2.00 -1.27 115.15 119.39 3iab h HIS 26 Ca -0.43 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 57.62 3iab h HIS 26 Cb 1.30 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.94 3iab h HIS 26 CO 0.37 0.44 -0.66 0.87 -1.30 0.00 0.00 177.93 177.65 3iab h LYS 27 N 0.87 0.00 -0.23 5.26 1.57 -1.98 -3.06 116.57 119.00 3iab h LYS 27 Ca 0.39 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 59.01 3iab h LYS 27 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3iab h LYS 27 CO -0.16 0.66 -0.52 1.96 -0.57 0.00 0.00 179.45 180.82 3iab h GLN 28 N 0.00 0.65 -0.08 3.15 4.20 -1.65 -3.17 115.11 118.21 3iab h GLN 28 Ca -0.01 -0.40 0.02 0.00 0.06 0.00 0.00 58.65 58.33 3iab h GLN 28 Cb 1.17 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 3iab h GLN 28 CO 0.09 1.01 0.06 0.82 -0.67 0.00 0.00 178.83 180.14 3iab h ILE 29 N 0.51 0.80 -0.39 2.54 2.04 -1.18 -0.98 117.51 120.84 3iab h ILE 29 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3iab h ILE 29 Cb 1.08 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3iab h ILE 29 CO 0.10 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.66 3iab n HIS 30 N -4.27 0.51 -0.01 1.37 8.25 -1.20 -4.21 115.22 115.66 3iab n HIS 30 Ca -0.01 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 3iab n HIS 30 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 3iab n HIS 30 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3iab n THR 31 N 1.35 0.00 -4.63 1.59 -2.24 -0.49 -4.84 114.28 105.03 3iab n THR 31 Ca 0.19 -0.43 -0.33 0.00 -2.27 0.00 0.00 64.05 61.20 3iab n THR 31 Cb 0.57 1.01 -0.13 0.00 -2.10 0.00 0.00 70.33 69.68 3iab n THR 31 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3iab s THR 32 N -0.81 3.52 -0.02 4.28 2.01 -0.54 -1.72 115.64 122.37 3iab s THR 32 Ca 0.00 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.52 3iab s THR 32 Cb 0.00 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 3iab s THR 32 CO 0.00 0.55 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.74 3iab s ILE 33 N -0.14 3.34 -0.18 1.82 1.01 0.82 -4.93 121.20 122.94 3iab s ILE 33 Ca 0.01 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 3iab s ILE 33 Cb -0.13 -2.39 -0.00 0.00 0.01 0.00 0.00 42.46 39.95 3iab s ILE 33 CO 0.03 0.48 -0.12 -0.36 0.00 0.00 0.00 174.94 174.97 3iab s PHE 34 N -0.87 2.85 -0.20 3.97 0.08 -1.26 -0.65 117.98 121.90 3iab s PHE 34 Ca 0.14 -1.10 -0.16 0.00 0.12 0.00 0.00 56.93 55.93 3iab s PHE 34 Cb -0.11 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.33 3iab s PHE 34 CO 0.04 -0.55 0.39 0.08 -0.10 0.00 0.00 175.22 175.08 3iab s VAL 35 N 1.13 5.20 0.32 -0.44 1.01 0.37 -4.97 120.40 123.02 3iab s VAL 35 Ca 0.01 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 3iab s VAL 35 Cb -0.14 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3iab s VAL 35 CO -0.04 0.25 0.57 -0.54 0.00 0.00 0.00 175.10 175.34 3iab s LYS 36 N 1.32 3.57 0.38 2.72 1.02 -1.26 -4.68 119.74 122.80 3iab s LYS 36 Ca 0.19 -0.11 0.08 0.00 0.02 0.00 0.00 55.97 56.15 3iab s LYS 36 Cb -0.15 -2.63 0.82 0.00 -0.52 0.00 0.00 37.83 35.35 3iab s LYS 36 CO 0.08 0.16 1.96 0.77 -0.92 0.00 0.00 175.35 177.39 3iab h SER 37 N 1.23 0.59 0.86 2.83 0.02 -1.94 -2.54 113.55 114.60 3iab h SER 37 Ca -0.48 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.38 3iab h SER 37 Cb 1.20 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 3iab h SER 37 CO 0.64 0.37 -0.43 0.71 -1.14 0.00 0.00 176.83 176.98 3iab h THR 38 N 0.66 0.98 -1.97 -2.27 1.35 -2.00 -3.46 112.91 106.21 3iab h THR 38 Ca 0.31 -1.69 -0.64 0.00 -0.55 0.00 0.00 66.41 63.84 3iab h THR 38 Cb 0.35 2.01 0.03 0.00 -1.73 0.00 0.00 68.15 68.81 3iab h THR 38 CO -0.10 0.42 0.92 0.41 -0.25 0.00 0.00 175.52 176.92 3iab n THR 39 N -3.55 0.33 -1.72 6.82 -1.04 -0.96 -4.97 114.28 109.19 3iab n THR 39 Ca -0.00 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.05 61.63 3iab n THR 39 Cb 0.55 -1.57 0.04 0.00 -1.82 0.00 0.00 70.33 67.53 3iab n THR 39 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3iab s PRO 40 N 2.83 3.06 0.07 -2.82 0.02 -1.26 -4.93 135.00 131.96 3iab s PRO 40 Ca 0.89 1.03 -0.27 0.00 0.02 0.00 0.00 61.00 62.68 3iab s PRO 40 Cb -0.78 -2.00 -0.17 0.00 0.02 0.00 0.00 34.50 31.56 3iab s PRO 40 CO 0.50 -1.01 1.61 -0.92 -0.33 0.00 0.00 177.00 176.86 3iab h TYR 41 N -0.35 -0.37 -0.28 6.54 3.20 -2.00 -2.67 116.97 121.05 3iab h TYR 41 Ca -0.45 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.28 3iab h TYR 41 Cb 1.21 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 3iab h TYR 41 CO 0.61 -0.18 -0.36 0.28 -1.64 0.00 0.00 178.16 176.86 3iab h VAL 42 N -0.46 1.29 -0.92 1.81 2.07 -1.99 -1.57 116.25 116.48 3iab h VAL 42 Ca -0.04 -1.51 0.13 0.00 0.82 0.00 0.00 66.70 66.10 3iab h VAL 42 Cb 0.35 1.47 -0.09 0.00 -1.52 0.00 0.00 31.29 31.50 3iab h VAL 42 CO 0.07 0.48 0.55 -1.28 0.02 0.00 0.00 177.57 177.40 3iab h SER 43 N 0.52 0.75 -0.10 0.57 0.87 -1.95 0.85 113.55 115.06 3iab h SER 43 Ca 0.05 0.07 -0.19 0.00 -1.23 0.00 0.00 61.79 60.49 3iab h SER 43 Cb 0.87 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 3iab h SER 43 CO 0.07 0.37 -0.64 0.00 -0.53 0.00 0.00 176.83 176.11 3iab h ALA 44 N 1.54 0.49 0.53 6.23 0.00 -1.07 -2.41 119.26 124.57 3iab h ALA 44 Ca 0.48 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3iab h ALA 44 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3iab h ALA 44 CO -0.30 0.69 -0.33 -0.07 0.00 0.00 0.00 179.25 179.24 3iab h LEU 45 N 0.53 -0.84 -0.71 0.00 3.38 -0.51 -1.58 115.31 115.59 3iab h LEU 45 Ca -0.01 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.13 3iab h LEU 45 Cb 1.23 0.25 -0.09 0.00 0.09 0.00 0.00 40.66 42.15 3iab h LEU 45 CO 0.13 -0.52 0.27 0.11 0.09 0.00 0.00 178.44 178.52 3iab h LYS 46 N -0.82 0.42 -0.59 1.13 1.57 -0.90 -0.57 116.57 116.81 3iab h LYS 46 Ca -0.06 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 3iab h LYS 46 Cb 0.67 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3iab h LYS 46 CO 0.06 0.28 0.06 -0.09 -0.57 0.00 0.00 179.45 179.19 3iab h ARG 47 N 0.43 1.00 -0.18 3.15 2.43 -1.31 -2.07 114.38 117.82 3iab h ARG 47 Ca 0.38 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3iab h ARG 47 Cb 0.54 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3iab h ARG 47 CO -0.37 0.96 0.00 0.82 -1.51 0.00 0.00 179.97 179.87 3iab h ILE 48 N 0.90 1.25 -0.51 1.20 2.04 -0.58 -2.35 117.51 119.46 3iab h ILE 48 Ca 0.18 -0.84 0.10 0.00 1.00 0.00 0.00 64.86 65.29 3iab h ILE 48 Cb 0.47 1.44 -0.10 0.00 -0.74 0.00 0.00 36.82 37.89 3iab h ILE 48 CO 0.02 0.25 -0.26 0.78 0.00 0.00 0.00 178.15 178.94 3iab h ASN 49 N 0.08 -0.89 -0.89 1.72 2.35 -1.02 0.69 115.58 117.62 3iab h ASN 49 Ca 0.05 0.19 0.05 0.00 -0.55 0.00 0.00 56.30 56.04 3iab h ASN 49 Cb 0.38 0.47 -0.05 0.00 0.05 0.00 0.00 38.32 39.16 3iab h ASN 49 CO 0.01 -0.27 0.58 0.11 -1.65 0.00 0.00 177.43 176.21 3iab h LYS 50 N -0.14 1.04 -0.15 0.81 1.79 -1.27 -1.39 116.57 117.25 3iab h LYS 50 Ca 0.23 -0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.52 3iab h LYS 50 Cb 0.50 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 3iab h LYS 50 CO -0.59 0.69 -0.40 0.74 -1.08 0.00 0.00 179.45 178.80 3iab h PHE 51 N 1.07 0.41 -0.66 -1.35 -1.00 -0.70 -1.98 116.94 112.72 3iab h PHE 51 Ca 0.37 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.99 3iab h PHE 51 Cb 0.10 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.54 3iab h PHE 51 CO -0.00 0.70 0.24 -0.07 -1.61 0.00 0.00 178.31 177.57 3iab h LEU 52 N 0.29 0.93 -0.46 1.54 3.38 0.19 -0.86 115.31 120.32 3iab h LEU 52 Ca 0.03 -0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.64 3iab h LEU 52 Cb 0.84 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3iab h LEU 52 CO 0.07 0.87 -0.68 0.44 0.09 0.00 0.00 178.44 179.22 3iab h ASP 53 N 0.94 0.46 1.41 -0.43 3.32 -1.35 -3.24 116.42 117.52 3iab h ASP 53 Ca 0.22 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3iab h ASP 53 Cb 0.25 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3iab h ASP 53 CO -0.01 1.01 -0.20 -1.28 -1.72 0.00 0.00 179.24 177.04 3iab h SER 54 N 0.28 0.00 1.19 6.45 0.87 -1.22 -3.29 113.55 117.82 3iab h SER 54 Ca -0.02 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 3iab h SER 54 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 3iab h SER 54 CO 0.12 0.02 0.00 1.62 -0.53 0.00 0.00 176.83 178.06 3iab h VAL 55 N 0.00 0.00 -0.45 2.23 3.04 -1.18 -2.66 116.25 117.23 3iab h VAL 55 Ca 0.00 -0.52 -0.02 0.00 -1.01 0.00 0.00 66.70 65.14 3iab h VAL 55 Cb 0.80 1.45 -0.02 0.00 -2.01 0.00 0.00 31.29 31.52 3iab h VAL 55 CO 0.00 0.00 0.20 0.45 -1.01 0.00 0.00 177.57 177.21 3iab h HIS 56 N 0.00 0.67 -0.25 3.17 3.86 -1.73 -1.33 115.15 119.55 3iab h HIS 56 Ca 0.00 -0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.03 3iab h HIS 56 Cb 0.59 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 3iab h HIS 56 CO 0.00 0.57 -0.39 0.87 0.86 0.00 0.00 177.93 179.83 3iab h LYS 57 N 0.59 0.58 0.00 2.45 1.57 -1.71 -3.16 116.57 116.88 3iab h LYS 57 Ca 0.15 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 3iab h LYS 57 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3iab h LYS 57 CO -0.02 0.88 -0.39 1.96 -0.57 0.00 0.00 179.45 181.31 3iab h GLN 58 N 0.48 0.00 -1.57 3.15 1.08 -1.34 -3.48 115.11 113.43 3iab h GLN 58 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3iab h GLN 58 Cb 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 3iab h GLN 58 CO 0.08 0.39 0.00 0.41 -0.95 0.00 0.00 178.83 178.76 3iab n GLY 59 N 0.51 0.55 3.04 3.46 0.00 -0.52 -5.09 105.19 107.14 3iab n GLY 59 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 3iab n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iab s SER 60 N -2.76 0.71 0.22 1.61 0.15 -1.10 -5.06 113.70 107.46 3iab s SER 60 Ca 0.00 -0.54 0.11 0.00 0.70 0.00 0.00 55.95 56.22 3iab s SER 60 Cb 0.00 0.05 0.05 0.00 -1.71 0.00 0.00 66.02 64.41 3iab s SER 60 CO 0.00 -0.23 1.42 0.28 1.20 0.00 0.00 173.24 175.91 3iab h SER 61 N 4.51 0.00 -3.97 5.45 0.02 -1.97 -3.42 113.55 114.17 3iab h SER 61 Ca -0.35 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.24 3iab h SER 61 Cb 1.20 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.58 3iab h SER 61 CO 0.41 0.73 -0.73 -0.72 -1.14 0.00 0.00 176.83 175.39 3iab s TYR 62 N -3.00 1.32 -0.34 3.45 1.13 -1.26 -1.39 117.35 117.26 3iab s TYR 62 Ca 0.01 -0.67 -0.08 0.00 -1.41 0.00 0.00 57.07 54.93 3iab s TYR 62 Cb 0.10 -0.67 0.02 0.00 -1.10 0.00 0.00 41.96 40.31 3iab s TYR 62 CO 0.78 0.12 0.13 0.08 -2.51 0.00 0.00 175.55 174.14 3iab s VAL 63 N -2.83 4.14 -0.04 -3.49 1.01 0.58 -4.91 120.40 114.86 3iab s VAL 63 Ca 0.13 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 3iab s VAL 63 Cb -0.01 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3iab s VAL 63 CO 0.02 -0.11 1.18 0.00 0.00 0.00 0.00 175.10 176.20 3iab s ALA 64 N 1.49 3.46 -0.22 5.51 0.00 -0.70 -1.51 121.76 129.79 3iab s ALA 64 Ca 0.01 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.62 3iab s ALA 64 Cb -0.19 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.47 3iab s ALA 64 CO 0.04 -0.69 -0.13 0.08 0.00 0.00 0.00 175.76 175.06 3iab s VAL 65 N 1.99 2.37 -0.07 0.00 1.01 0.98 -0.13 120.40 126.55 3iab s VAL 65 Ca 0.56 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3iab s VAL 65 Cb -0.25 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 3iab s VAL 65 CO 0.23 0.28 -0.09 -0.76 0.00 0.00 0.00 175.10 174.76 3iab s LEU 66 N 1.25 3.02 0.31 3.92 1.02 0.18 -0.68 118.68 127.69 3iab s LEU 66 Ca -0.00 -0.09 -0.13 0.00 0.02 0.00 0.00 54.13 53.93 3iab s LEU 66 Cb -0.16 -1.65 0.02 0.00 0.02 0.00 0.00 46.19 44.42 3iab s LEU 66 CO -0.08 0.35 0.60 -0.83 0.02 0.00 0.00 176.35 176.41 3iab s GLY 67 N -0.71 0.55 0.00 -3.19 0.00 -0.95 -0.48 107.32 102.55 3iab s GLY 67 Ca 0.11 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.97 3iab s GLY 67 CO 0.01 -0.51 0.00 0.61 0.00 0.00 0.00 173.10 173.21 3iab n GLY 69 N -0.47 0.19 0.47 0.20 0.00 -0.94 -0.27 105.19 104.38 3iab n GLY 69 Ca -0.03 0.01 0.29 0.00 0.00 0.00 0.00 46.02 46.29 3iab n GLY 69 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3iab h LYS 70 N 0.00 0.14 -0.00 1.61 3.64 -2.01 -1.76 116.57 118.20 3iab h LYS 70 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3iab h LYS 70 Cb 0.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3iab h LYS 70 CO 0.00 0.10 -0.13 0.00 -2.27 0.00 0.00 179.45 177.15 3iab n ALA 71 N -2.65 2.66 -0.06 5.00 0.00 -1.26 -4.37 120.51 119.84 3iab n ALA 71 Ca 0.24 -0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 3iab n ALA 71 Cb 1.03 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 19.09 3iab n ALA 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iab h VAL 72 N 0.05 0.43 -0.24 0.00 2.07 -1.61 -0.86 116.25 116.09 3iab h VAL 72 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3iab h VAL 72 Cb 0.47 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3iab h VAL 72 CO 0.00 0.00 0.08 -0.08 0.02 0.00 0.00 177.57 177.59 3iab h GLU 73 N -0.21 0.19 -0.54 1.57 4.81 -1.83 -1.57 114.58 117.00 3iab h GLU 73 Ca 0.14 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 3iab h GLU 73 Cb 0.43 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3iab h GLU 73 CO -0.39 0.12 0.06 -0.22 -0.73 0.00 0.00 179.01 177.86 3iab h LYS 74 N 0.19 0.92 -0.42 1.92 3.64 -1.78 0.71 116.57 121.74 3iab h LYS 74 Ca 0.10 -0.26 0.06 0.00 -1.27 0.00 0.00 60.65 59.28 3iab h LYS 74 Cb 0.07 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 3iab h LYS 74 CO -0.11 0.90 0.12 1.15 -2.27 0.00 0.00 179.45 179.25 3iab h THR 75 N 0.80 0.83 -0.24 1.00 2.02 -0.90 -1.68 112.91 114.74 3iab h THR 75 Ca 0.16 -0.09 -0.14 0.00 0.77 0.00 0.00 66.41 67.11 3iab h THR 75 Cb 0.45 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3iab h THR 75 CO 0.02 0.05 -0.41 -0.07 0.37 0.00 0.00 175.52 175.48 3iab h LEU 76 N 0.27 0.62 -1.72 2.58 3.38 -1.03 -2.79 115.31 116.62 3iab h LEU 76 Ca 0.20 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.93 3iab h LEU 76 Cb 0.22 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3iab h LEU 76 CO -0.23 0.95 0.25 0.00 0.09 0.00 0.00 178.44 179.50 3iab h ALA 77 N 1.07 1.90 -0.20 1.53 0.00 -0.36 -0.69 119.26 122.51 3iab h ALA 77 Ca 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3iab h ALA 77 Cb 0.92 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3iab h ALA 77 CO 0.08 0.05 -0.21 -0.07 0.00 0.00 0.00 179.25 179.11 3iab h LEU 78 N 0.36 0.53 -2.02 0.00 3.38 -1.09 -2.69 115.31 113.79 3iab h LEU 78 Ca 0.15 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.70 3iab h LEU 78 Cb 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3iab h LEU 78 CO -0.03 0.90 0.13 1.23 0.09 0.00 0.00 178.44 180.76 3iab h GLY 79 N 0.17 0.00 1.65 0.83 0.00 -1.06 -1.17 103.07 103.50 3iab h GLY 79 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 3iab h GLY 79 CO 0.05 0.00 -0.66 0.00 0.00 0.00 0.00 176.54 175.93 3iab h HIS 81 N 0.25 0.13 -0.26 0.00 6.17 -0.89 -2.45 115.15 118.09 3iab h HIS 81 Ca -0.02 -0.02 -0.15 0.00 0.71 0.00 0.00 60.37 60.90 3iab h HIS 81 Cb 1.20 -0.03 -0.01 0.00 2.52 0.00 0.00 27.41 31.09 3iab h HIS 81 CO 0.03 0.39 -0.44 0.74 0.71 0.00 0.00 177.93 179.37 3iab h PHE 82 N -0.17 0.78 -0.50 5.26 -1.00 -1.53 -0.59 116.94 119.18 3iab h PHE 82 Ca 0.02 -0.24 -0.11 0.00 2.81 0.00 0.00 57.97 60.45 3iab h PHE 82 Cb 0.34 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 3iab h PHE 82 CO 0.03 0.97 -0.12 0.37 -1.61 0.00 0.00 178.31 177.95 3iab h GLN 83 N 0.52 0.97 0.00 1.51 4.15 -1.49 -0.21 115.11 120.56 3iab h GLN 83 Ca 0.04 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.08 3iab h GLN 83 Cb 0.97 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.60 3iab h GLN 83 CO 0.09 1.04 -0.47 -0.25 -1.93 0.00 0.00 178.83 177.31 3iab n ASP 84 N -4.19 1.09 0.12 -0.69 9.92 -0.92 -3.47 116.55 118.42 3iab n ASP 84 Ca 0.01 0.30 0.12 0.00 -0.53 0.00 0.00 54.79 54.69 3iab n ASP 84 Cb 0.40 -0.67 0.46 0.00 -0.64 0.00 0.00 41.12 40.68 3iab n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3iab n GLN 85 N -3.63 0.22 -0.20 -1.24 3.00 -0.24 -3.13 117.38 112.16 3iab n GLN 85 Ca -0.07 0.35 0.04 0.00 -0.01 0.00 0.00 57.00 57.31 3iab n GLN 85 Cb 0.24 -1.85 0.06 0.00 0.00 0.00 0.00 30.24 28.69 3iab n GLN 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3iab n LYS 86 N -2.26 0.91 -4.21 -1.09 5.02 -1.14 -5.01 118.16 110.39 3iab n LYS 86 Ca 0.03 -1.66 -0.33 0.00 -2.02 0.00 0.00 58.31 54.34 3iab n LYS 86 Cb 0.31 -0.98 -0.07 0.00 -0.02 0.00 0.00 35.03 34.27 3iab n LYS 86 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3iab n ASN 87 N -0.66 0.03 -4.92 4.39 4.13 -0.96 -4.86 115.26 112.41 3iab n ASN 87 Ca 0.07 -1.23 -0.31 0.00 1.68 0.00 0.00 54.58 54.79 3iab n ASN 87 Cb 0.60 -1.51 -0.04 0.00 -1.54 0.00 0.00 39.78 37.28 3iab n ASN 87 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3iab s LYS 88 N -7.22 3.44 -0.32 3.52 -0.14 -0.13 -4.99 119.74 113.89 3iab s LYS 88 Ca 0.09 -0.45 -0.19 0.00 -1.36 0.00 0.00 55.97 54.05 3iab s LYS 88 Cb -0.05 -3.03 -0.01 0.00 -1.68 0.00 0.00 37.83 33.06 3iab s LYS 88 CO 0.95 0.60 0.59 0.15 -0.76 0.00 0.00 175.35 176.88 3iab s LYS 89 N -2.57 3.80 -0.05 1.68 1.02 -1.26 -4.30 119.74 118.05 3iab s LYS 89 Ca 0.35 0.12 0.06 0.00 0.02 0.00 0.00 55.97 56.52 3iab s LYS 89 Cb -0.13 -3.76 -0.01 0.00 -0.52 0.00 0.00 37.83 33.41 3iab s LYS 89 CO 0.28 -0.60 -0.24 0.96 -0.92 0.00 0.00 175.35 174.82 3iab s ILE 90 N 2.55 1.98 0.06 2.17 -4.36 -1.26 -1.86 121.20 120.48 3iab s ILE 90 Ca 0.23 -1.03 -0.04 0.00 -0.26 0.00 0.00 60.65 59.54 3iab s ILE 90 Cb -0.15 -1.68 -0.05 0.00 1.25 0.00 0.00 42.46 41.84 3iab s ILE 90 CO 0.13 0.55 0.28 -1.61 0.24 0.00 0.00 174.94 174.53 3iab s GLU 91 N -0.19 3.55 -0.09 0.37 2.02 -0.65 -4.99 118.70 118.72 3iab s GLU 91 Ca -0.02 -0.18 -0.00 0.00 0.02 0.00 0.00 54.97 54.79 3iab s GLU 91 Cb -0.13 -3.00 0.02 0.00 0.10 0.00 0.00 34.13 31.12 3iab s GLU 91 CO 0.03 0.58 -0.07 0.08 0.02 0.00 0.00 175.26 175.91 3iab s VAL 92 N -1.46 0.91 0.06 2.63 1.01 -1.26 -1.81 120.40 120.47 3iab s VAL 92 Ca 0.34 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.16 3iab s VAL 92 Cb -0.13 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3iab s VAL 92 CO 0.22 0.34 -0.23 -0.31 0.00 0.00 0.00 175.10 175.11 3iab s TYR 93 N 1.53 2.41 -0.17 5.22 2.02 0.39 -5.02 117.35 123.74 3iab s TYR 93 Ca 0.01 -0.35 -0.08 0.00 -0.37 0.00 0.00 57.07 56.28 3iab s TYR 93 Cb -0.13 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 3iab s TYR 93 CO -0.05 0.21 0.10 0.95 -1.57 0.00 0.00 175.55 175.19 3iab s THR 94 N -0.89 5.15 0.09 -0.71 -4.23 -1.26 -1.50 115.64 112.28 3iab s THR 94 Ca 0.13 0.09 0.08 0.00 -1.18 0.00 0.00 61.69 60.81 3iab s THR 94 Cb -0.10 -3.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.40 3iab s THR 94 CO 0.04 0.50 -0.20 -0.54 -0.54 0.00 0.00 174.62 173.88 3iab s LYS 95 N -0.05 1.11 -0.13 3.99 -0.14 0.14 -4.91 119.74 119.75 3iab s LYS 95 Ca 0.08 -1.11 -0.01 0.00 -1.36 0.00 0.00 55.97 53.58 3iab s LYS 95 Cb -0.12 -1.32 -0.02 0.00 -1.68 0.00 0.00 37.83 34.69 3iab s LYS 95 CO 0.00 0.31 -0.12 0.99 -0.76 0.00 0.00 175.35 175.78 3iab s THR 96 N -1.13 3.17 -0.12 2.17 2.01 -1.26 -0.32 115.64 120.16 3iab s THR 96 Ca 0.05 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.46 3iab s THR 96 Cb -0.10 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.08 3iab s THR 96 CO 0.04 0.52 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.65 3iab s ILE 97 N 0.31 1.93 0.02 1.82 1.09 0.63 -4.97 121.20 122.03 3iab s ILE 97 Ca -0.09 -0.91 -0.27 0.00 -1.10 0.00 0.00 60.65 58.28 3iab s ILE 97 Cb -0.16 -1.70 -0.04 0.00 -1.06 0.00 0.00 42.46 39.50 3iab s ILE 97 CO 0.05 0.53 0.83 -1.61 -0.10 0.00 0.00 174.94 174.64 3iab s GLU 98 N 0.71 4.53 -0.03 2.79 2.02 -1.26 -0.93 118.70 126.53 3iab s GLU 98 Ca -0.11 1.17 0.02 0.00 0.02 0.00 0.00 54.97 56.07 3iab s GLU 98 Cb -0.16 -3.41 0.01 0.00 0.10 0.00 0.00 34.13 30.67 3iab s GLU 98 CO 0.01 0.14 -0.06 0.08 0.02 0.00 0.00 175.26 175.45 3iab s VAL 99 N 0.41 0.59 -0.05 2.63 1.01 0.14 -4.48 120.40 120.65 3iab s VAL 99 Ca 0.43 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 3iab s VAL 99 Cb -0.20 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 3iab s VAL 99 CO 0.24 0.21 0.40 -0.76 0.00 0.00 0.00 175.10 175.18 3iab s LEU 100 N 0.44 4.40 0.20 3.92 1.43 -1.26 -0.26 118.68 127.55 3iab s LEU 100 Ca -0.06 0.85 0.09 0.00 -1.03 0.00 0.00 54.13 53.98 3iab s LEU 100 Cb -0.10 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 3iab s LEU 100 CO 0.00 0.23 -0.18 -1.81 0.23 0.00 0.00 176.35 174.82 3iab s ASP 101 N -0.50 2.92 -0.02 2.29 -0.00 -0.25 -1.04 116.67 120.07 3iab s ASP 101 Ca 0.23 -0.94 0.05 0.00 -0.00 0.00 0.00 52.55 51.89 3iab s ASP 101 Cb -0.16 -0.19 -0.01 0.00 -0.00 0.00 0.00 42.92 42.56 3iab s ASP 101 CO 0.11 -0.04 -0.18 -1.83 -0.00 0.00 0.00 175.17 173.23 3iab s GLU 102 N -3.16 1.59 0.00 8.23 -1.05 -0.66 -0.82 118.70 122.83 3iab s GLU 102 Ca 0.21 -0.66 0.00 0.00 -0.15 0.00 0.00 54.97 54.38 3iab s GLU 102 Cb -0.04 -1.49 0.00 0.00 -0.44 0.00 0.00 34.13 32.16 3iab s GLU 102 CO 0.09 0.36 0.15 1.55 0.95 0.00 0.00 175.26 178.36 3iab n VAL 103 N 2.75 0.02 0.00 1.83 3.14 -1.26 -1.40 118.33 123.41 3iab n VAL 103 Ca -0.16 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 3iab n VAL 103 Cb 0.53 1.71 0.00 0.00 -1.06 0.00 0.00 33.84 35.02 3iab n VAL 103 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3iab n ILE 104 N -0.01 0.00 -0.19 1.55 3.06 -1.26 -4.65 119.36 117.86 3iab n ILE 104 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3iab n ILE 104 Cb 0.28 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.46 3iab n ILE 104 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3iab n GLN 125 N 0.00 0.00 -3.46 9.51 6.02 -1.26 -5.14 117.38 123.05 3iab n GLN 125 Ca 0.00 0.19 -0.39 0.00 -0.01 0.00 0.00 57.00 56.78 3iab n GLN 125 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 3iab n GLN 125 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3iab s LEU 126 N -0.22 4.21 -0.06 1.08 1.43 -1.26 -4.37 118.68 119.49 3iab s LEU 126 Ca 0.00 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 3iab s LEU 126 Cb 0.00 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 3iab s LEU 126 CO 0.00 -0.20 -0.06 -0.75 0.23 0.00 0.00 176.35 175.57 3iab s LYS 127 N 1.93 2.77 0.40 1.70 2.20 0.00 -4.93 119.74 123.82 3iab s LYS 127 Ca 0.11 -0.54 -0.24 0.00 -0.36 0.00 0.00 55.97 54.94 3iab s LYS 127 Cb -0.16 -2.62 -0.09 0.00 -1.51 0.00 0.00 37.83 33.45 3iab s LYS 127 CO 0.11 0.67 1.03 0.15 -0.36 0.00 0.00 175.35 176.94 3iab s LYS 128 N -0.88 4.19 -0.11 4.03 1.02 -1.26 -1.09 119.74 125.63 3iab s LYS 128 Ca 0.13 1.45 -0.09 0.00 0.02 0.00 0.00 55.97 57.47 3iab s LYS 128 Cb -0.11 -2.50 0.03 0.00 -0.52 0.00 0.00 37.83 34.73 3iab s LYS 128 CO 0.02 -0.11 0.29 0.50 -0.92 0.00 0.00 175.35 175.14 3iab s ARG 129 N -2.56 0.32 -0.16 1.68 3.52 0.64 -4.91 118.95 117.48 3iab s ARG 129 Ca 0.58 0.45 -0.07 0.00 -0.13 0.00 0.00 55.73 56.57 3iab s ARG 129 Cb -0.20 0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.25 3iab s ARG 129 CO 0.25 -0.07 0.08 0.00 -0.81 0.00 0.00 175.30 174.76 3iab s ALA 130 N 0.44 3.55 0.04 6.12 0.00 -1.26 0.23 121.76 130.87 3iab s ALA 130 Ca -0.02 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.28 3iab s ALA 130 Cb -0.04 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 3iab s ALA 130 CO -0.02 0.34 -0.17 0.08 0.00 0.00 0.00 175.76 175.99 3iab s VAL 131 N -0.14 1.34 -0.07 0.00 1.01 -0.10 -4.98 120.40 117.46 3iab s VAL 131 Ca 0.08 -1.07 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 3iab s VAL 131 Cb -0.12 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 3iab s VAL 131 CO 0.01 0.10 0.29 -0.44 0.00 0.00 0.00 175.10 175.05 3iab s SER 132 N -1.13 6.59 0.01 3.32 0.01 -1.26 -0.27 113.70 120.97 3iab s SER 132 Ca 0.04 0.70 0.00 0.00 1.31 0.00 0.00 55.95 58.00 3iab s SER 132 Cb -0.08 -2.17 -0.00 0.00 0.21 0.00 0.00 66.02 63.98 3iab s SER 132 CO 0.01 0.33 0.01 0.61 0.41 0.00 0.00 173.24 174.61 3iab n GLY 133 N 2.11 3.37 2.91 3.44 0.00 0.57 -2.21 105.19 115.38 3iab n GLY 133 Ca -0.16 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.21 3iab n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iab s VAL 134 N -2.33 0.50 -0.22 1.61 1.01 0.63 0.25 120.40 121.84 3iab s VAL 134 Ca 0.01 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 3iab s VAL 134 Cb -0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 3iab s VAL 134 CO 0.01 0.20 0.23 -0.70 0.00 0.00 0.00 175.10 174.84 3iab s GLU 135 N 0.61 4.12 -0.31 2.72 2.12 -0.56 -2.23 118.70 125.17 3iab s GLU 135 Ca -0.08 -0.11 0.02 0.00 0.36 0.00 0.00 54.97 55.17 3iab s GLU 135 Cb -0.11 -3.52 0.09 0.00 0.26 0.00 0.00 34.13 30.85 3iab s GLU 135 CO 0.00 0.07 0.03 -1.17 -0.54 0.00 0.00 175.26 173.65 3iab s LEU 136 N 1.03 3.54 -0.31 2.70 0.20 0.14 -0.46 118.68 125.51 3iab s LEU 136 Ca 0.11 -1.77 -0.21 0.00 0.69 0.00 0.00 54.13 52.95 3iab s LEU 136 Cb -0.14 -1.32 -0.01 0.00 -0.43 0.00 0.00 46.19 44.30 3iab s LEU 136 CO 0.05 -0.35 0.67 -0.13 -0.29 0.00 0.00 176.35 176.30 3iab s ARG 137 N 1.22 3.90 -0.32 1.98 0.52 -0.75 -0.02 118.95 125.48 3iab s ARG 137 Ca 0.06 0.36 -0.10 0.00 -0.52 0.00 0.00 55.73 55.53 3iab s ARG 137 Cb -0.19 -3.73 -0.00 0.00 0.52 0.00 0.00 34.95 31.55 3iab s ARG 137 CO -0.12 -0.61 0.17 0.42 0.02 0.00 0.00 175.30 175.17 3iab s ILE 138 N 2.71 4.66 0.25 1.52 1.01 -0.57 -1.63 121.20 129.16 3iab s ILE 138 Ca 0.27 -0.48 -0.22 0.00 0.00 0.00 0.00 60.65 60.22 3iab s ILE 138 Cb -0.15 -3.42 -0.09 0.00 0.01 0.00 0.00 42.46 38.82 3iab s ILE 138 CO 0.12 0.01 0.81 -0.31 0.00 0.00 0.00 174.94 175.56 3iab s TYR 139 N 1.61 3.69 -2.00 3.97 1.51 -0.78 -0.31 117.35 125.05 3iab s TYR 139 Ca 0.04 1.55 0.05 0.00 -1.01 0.00 0.00 57.07 57.71 3iab s TYR 139 Cb -0.17 -2.74 0.30 0.00 -0.11 0.00 0.00 41.96 39.23 3iab s TYR 139 CO 0.07 0.31 0.77 1.33 -1.11 0.00 0.00 175.55 176.92