#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3irv n SER 37 N 0.00 0.91 -4.22 6.12 3.41 -1.26 -5.01 113.62 113.57 3irv n SER 37 Ca 0.00 -0.50 -0.19 0.00 -0.26 0.00 0.00 58.87 57.92 3irv n SER 37 Cb 0.00 1.04 -0.12 0.00 -0.26 0.00 0.00 64.21 64.88 3irv n SER 37 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3irv s LYS 38 N -1.63 0.95 0.61 4.33 -2.85 -1.26 -5.14 119.74 114.74 3irv s LYS 38 Ca 0.01 -1.11 -0.14 0.00 -1.00 0.00 0.00 55.97 53.73 3irv s LYS 38 Cb 0.04 -0.93 -0.03 0.00 -2.06 0.00 0.00 37.83 34.85 3irv s LYS 38 CO 0.20 0.19 1.05 -1.25 0.10 0.00 0.00 175.35 175.65 3irv s PRO 39 N -2.20 3.32 0.49 1.78 0.04 -1.26 -5.01 135.00 132.17 3irv s PRO 39 Ca 0.04 1.09 -0.23 0.00 0.04 0.00 0.00 61.00 61.94 3irv s PRO 39 Cb -0.08 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 3irv s PRO 39 CO 0.03 -0.80 1.29 -0.51 0.04 0.00 0.00 177.00 177.06 3irv s LEU 40 N -4.73 3.97 -0.02 -3.56 1.43 -1.26 -5.02 118.68 109.49 3irv s LEU 40 Ca 0.61 2.62 -0.15 0.00 -1.03 0.00 0.00 54.13 56.18 3irv s LEU 40 Cb -0.14 -4.19 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 3irv s LEU 40 CO 0.41 -1.24 0.41 -0.69 0.23 0.00 0.00 176.35 175.47 3irv s VAL 41 N -1.37 5.07 -0.05 -1.59 1.01 -1.26 -5.08 120.40 117.12 3irv s VAL 41 Ca 0.66 0.83 0.03 0.00 0.00 0.00 0.00 61.98 63.50 3irv s VAL 41 Cb -0.37 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.31 3irv s VAL 41 CO 0.44 0.54 -0.12 -0.13 0.00 0.00 0.00 175.10 175.83 3irv s ARG 42 N -0.80 1.50 -0.20 2.72 1.81 -1.26 -4.41 118.95 118.31 3irv s ARG 42 Ca 0.23 -0.41 -0.08 0.00 -1.72 0.00 0.00 55.73 53.76 3irv s ARG 42 Cb -0.16 -1.29 -0.04 0.00 -0.45 0.00 0.00 34.95 33.01 3irv s ARG 42 CO 0.12 0.09 0.07 -1.58 -0.68 0.00 0.00 175.30 173.32 3irv s TRP 43 N 0.44 3.22 0.13 -0.53 0.52 -1.26 -5.07 118.94 116.39 3irv s TRP 43 Ca -0.10 0.00 -0.30 0.00 0.02 0.00 0.00 56.10 55.72 3irv s TRP 43 Cb -0.13 -2.12 -0.07 0.00 -1.15 0.00 0.00 33.47 30.00 3irv s TRP 43 CO 0.02 0.06 1.24 -1.25 0.02 0.00 0.00 176.95 177.04 3irv s PRO 44 N 0.64 4.43 -0.30 4.98 0.04 -1.26 -4.97 135.00 138.55 3irv s PRO 44 Ca 0.04 1.88 -0.21 0.00 0.04 0.00 0.00 61.00 62.75 3irv s PRO 44 Cb -0.13 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 3irv s PRO 44 CO 0.01 -0.23 0.68 0.42 0.04 0.00 0.00 177.00 177.93 3irv s ILE 45 N 0.59 4.90 -0.38 0.56 -1.09 -1.26 -5.02 121.20 119.49 3irv s ILE 45 Ca 0.57 0.97 -0.10 0.00 -2.23 0.00 0.00 60.65 59.87 3irv s ILE 45 Cb -0.32 -4.04 0.03 0.00 -1.58 0.00 0.00 42.46 36.55 3irv s ILE 45 CO 0.33 -0.16 0.20 0.21 -1.23 0.00 0.00 174.94 174.28 3irv s ASN 46 N 1.62 5.68 0.40 3.58 3.84 -1.26 -4.80 114.94 124.00 3irv s ASN 46 Ca 0.27 -1.06 0.12 0.00 0.21 0.00 0.00 52.86 52.40 3irv s ASN 46 Cb -0.15 -2.00 0.94 0.00 -0.55 0.00 0.00 41.25 39.50 3irv s ASN 46 CO 0.12 -0.40 1.91 -0.65 -2.79 0.00 0.00 177.10 175.30 3irv h PRO 47 N 8.41 0.52 0.00 0.43 0.11 -1.91 0.28 132.00 139.84 3irv h PRO 47 Ca -0.25 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 3irv h PRO 47 Cb 1.10 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3irv h PRO 47 CO 0.67 0.34 -0.07 -0.07 -0.21 0.00 0.00 178.00 178.67 3irv h LEU 48 N 0.54 0.00 -3.05 2.35 3.38 -1.89 -2.90 115.31 113.74 3irv h LEU 48 Ca 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 3irv h LEU 48 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3irv h LEU 48 CO -0.14 0.07 -0.23 0.54 0.09 0.00 0.00 178.44 178.77 3irv n ARG 49 N -3.58 1.57 -4.60 1.13 1.74 0.06 -4.68 116.66 108.29 3irv n ARG 49 Ca -0.02 -2.98 -0.25 0.00 -0.77 0.00 0.00 57.85 53.83 3irv n ARG 49 Cb 0.18 -1.60 -0.14 0.00 -1.02 0.00 0.00 32.46 29.88 3irv n ARG 49 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3irv s THR 50 N -3.07 1.65 0.06 0.55 2.01 -1.03 -1.33 115.64 114.48 3irv s THR 50 Ca 0.36 -1.22 0.02 0.00 0.31 0.00 0.00 61.69 61.17 3irv s THR 50 Cb 0.34 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 3irv s THR 50 CO -0.01 0.18 -0.08 0.00 -0.69 0.00 0.00 174.62 174.01 3irv s ALA 51 N -0.83 0.74 -0.18 7.40 0.00 -0.46 -3.60 121.76 124.83 3irv s ALA 51 Ca 0.07 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.99 3irv s ALA 51 Cb -0.09 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 3irv s ALA 51 CO 0.02 -0.06 0.14 0.08 0.00 0.00 0.00 175.76 175.94 3irv s VAL 52 N -1.97 5.43 -0.26 0.00 1.01 0.04 -1.06 120.40 123.59 3irv s VAL 52 Ca -0.03 0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.11 3irv s VAL 52 Cb -0.06 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.88 3irv s VAL 52 CO -0.01 0.49 -0.00 -0.63 0.00 0.00 0.00 175.10 174.94 3irv s ILE 53 N 0.00 3.34 -0.47 2.22 -1.09 0.55 -0.64 121.20 125.12 3irv s ILE 53 Ca 0.10 -0.85 -0.15 0.00 -2.23 0.00 0.00 60.65 57.52 3irv s ILE 53 Cb -0.11 -2.70 0.08 0.00 -1.58 0.00 0.00 42.46 38.15 3irv s ILE 53 CO -0.00 0.17 0.39 -0.69 -1.23 0.00 0.00 174.94 173.57 3irv s VAL 54 N 1.41 5.10 -0.39 2.92 1.01 0.46 -1.72 120.40 129.19 3irv s VAL 54 Ca 0.02 -1.15 -0.24 0.00 0.00 0.00 0.00 61.98 60.60 3irv s VAL 54 Cb -0.17 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.15 3irv s VAL 54 CO -0.02 -0.60 0.84 -0.69 0.00 0.00 0.00 175.10 174.64 3irv s VAL 55 N 1.61 4.65 -1.47 2.92 1.01 0.86 -0.74 120.40 129.23 3irv s VAL 55 Ca 0.04 0.89 -0.11 0.00 0.00 0.00 0.00 61.98 62.79 3irv s VAL 55 Cb -0.25 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 31.91 3irv s VAL 55 CO 0.06 -0.55 1.00 0.47 0.00 0.00 0.00 175.10 176.07 3irv n ASP 56 N 6.65 -4.71 -3.42 3.32 8.00 -0.61 -1.25 116.55 124.53 3irv n ASP 56 Ca 0.04 -0.73 -0.40 0.00 0.71 0.00 0.00 54.79 54.41 3irv n ASP 56 Cb 0.48 -4.15 -0.02 0.00 -0.02 0.00 0.00 41.12 37.41 3irv n ASP 56 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3irv n MET 57 N -4.70 3.65 -4.02 -1.24 2.81 -1.26 -4.64 117.12 107.72 3irv n MET 57 Ca -0.00 -2.45 -0.25 0.00 -1.81 0.00 0.00 57.70 53.19 3irv n MET 57 Cb 0.55 -2.87 -0.04 0.00 -0.71 0.00 0.00 33.22 30.15 3irv n MET 57 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3irv s GLN 58 N 1.95 3.19 0.42 0.03 -0.21 -1.26 -1.41 119.66 122.35 3irv s GLN 58 Ca 0.63 -0.77 0.10 0.00 0.02 0.00 0.00 55.36 55.35 3irv s GLN 58 Cb 0.17 -2.80 0.93 0.00 1.00 0.00 0.00 33.01 32.31 3irv s GLN 58 CO -0.07 0.48 2.01 0.87 -2.12 0.00 0.00 175.29 176.47 3irv h LYS 59 N 2.05 0.49 -0.04 2.91 1.57 -0.50 -1.02 116.57 122.02 3irv h LYS 59 Ca -0.49 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.28 3irv h LYS 59 Cb 1.21 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 3irv h LYS 59 CO 0.65 0.33 0.04 -0.24 -0.57 0.00 0.00 179.45 179.65 3irv h VAL 60 N 0.51 0.79 0.00 0.50 3.04 -0.99 0.20 116.25 120.29 3irv h VAL 60 Ca 0.23 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.73 3irv h VAL 60 Cb 0.27 0.97 -0.04 0.00 -2.01 0.00 0.00 31.29 30.49 3irv h VAL 60 CO -0.06 0.00 -2.07 0.49 -1.01 0.00 0.00 177.57 174.91 3irv n PHE 61 N -4.25 0.16 -0.04 3.17 3.72 -0.59 -1.19 117.46 118.44 3irv n PHE 61 Ca -0.02 0.05 0.03 0.00 -0.05 0.00 0.00 57.45 57.46 3irv n PHE 61 Cb 0.13 -0.82 -0.14 0.00 -0.94 0.00 0.00 39.48 37.71 3irv n PHE 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3irv s GLU 63 N -2.95 4.12 0.53 0.00 2.02 0.02 -4.86 118.70 117.58 3irv s GLU 63 Ca -0.07 0.64 0.25 0.00 0.02 0.00 0.00 54.97 55.80 3irv s GLU 63 Cb 0.09 -3.24 1.39 0.00 0.10 0.00 0.00 34.13 32.48 3irv s GLU 63 CO 0.74 0.65 2.00 -1.35 0.02 0.00 0.00 175.26 177.32 3irv h PRO 64 N 4.63 0.00 -0.01 0.39 0.11 -1.92 0.19 132.00 135.40 3irv h PRO 64 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3irv h PRO 64 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3irv h PRO 64 CO 0.63 0.00 -0.10 0.25 -0.21 0.00 0.00 178.00 178.57 3irv n THR 65 N -4.37 0.00 -2.25 -1.15 -2.24 -1.26 -4.87 114.28 98.14 3irv n THR 65 Ca 0.09 -0.10 -0.38 0.00 -2.27 0.00 0.00 64.05 61.39 3irv n THR 65 Cb 0.58 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 3irv n THR 65 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3irv s GLY 66 N -2.32 2.87 0.64 3.38 0.00 0.67 -4.91 107.32 107.64 3irv s GLY 66 Ca 0.32 1.01 0.42 0.00 0.00 0.00 0.00 44.72 46.47 3irv s GLY 66 CO 0.44 1.53 2.28 0.00 0.00 0.00 0.00 173.10 177.35 3irv h ALA 67 N 2.56 1.01 -0.23 3.20 0.00 -1.87 -2.61 119.26 121.32 3irv h ALA 67 Ca -0.49 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 3irv h ALA 67 Cb 1.24 -0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.79 3irv h ALA 67 CO 0.62 0.00 -0.77 1.28 0.00 0.00 0.00 179.25 180.38 3irv n LEU 68 N -3.10 2.73 -4.65 0.00 4.77 -0.33 -5.07 117.00 111.34 3irv n LEU 68 Ca -0.02 -3.59 -0.48 0.00 -0.03 0.00 0.00 56.01 51.90 3irv n LEU 68 Cb 0.13 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 3irv n LEU 68 CO 0.22 1.33 1.16 0.00 -1.33 0.00 0.00 177.39 178.77 3irv n TYR 69 N -0.60 2.11 -4.00 -1.77 9.36 -0.97 -4.36 117.16 116.93 3irv n TYR 69 Ca 0.21 0.33 -0.32 0.00 3.32 0.00 0.00 57.90 61.43 3irv n TYR 69 Cb 0.87 -2.51 -0.15 0.00 -0.63 0.00 0.00 39.34 36.93 3irv n TYR 69 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3irv s VAL 70 N 1.19 2.42 0.52 2.97 1.01 0.13 -5.02 120.40 123.62 3irv s VAL 70 Ca 0.82 -2.03 0.16 0.00 0.00 0.00 0.00 61.98 60.93 3irv s VAL 70 Cb -0.75 -2.63 0.27 0.00 0.00 0.00 0.00 36.38 33.27 3irv s VAL 70 CO 0.42 -0.40 2.15 0.07 0.00 0.00 0.00 175.10 177.34 3irv h LYS 71 N 7.74 0.00 0.00 2.72 2.10 -1.87 -1.79 116.57 125.46 3irv h LYS 71 Ca -0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 3irv h LYS 71 Cb 1.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 3irv h LYS 71 CO 0.52 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.84 3irv n SER 72 N -4.52 0.28 0.17 7.07 3.41 -1.26 -2.22 113.62 116.55 3irv n SER 72 Ca -0.03 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 3irv n SER 72 Cb 0.09 -0.63 0.68 0.00 -0.26 0.00 0.00 64.21 64.09 3irv n SER 72 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3irv h THR 73 N 0.00 0.85 -0.81 6.66 1.35 -1.65 -2.25 112.91 117.05 3irv h THR 73 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.97 3irv h THR 73 Cb 0.25 0.90 -0.06 0.00 -1.73 0.00 0.00 68.15 67.51 3irv h THR 73 CO 0.00 0.00 0.53 0.00 -0.25 0.00 0.00 175.52 175.80 3irv h ALA 74 N 1.89 1.78 0.00 6.62 0.00 -1.67 -1.79 119.26 126.10 3irv h ALA 74 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3irv h ALA 74 Cb 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3irv h ALA 74 CO -0.00 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.04 3irv n ASP 75 N -4.51 0.08 -0.32 0.00 8.00 -0.85 -3.60 116.55 115.34 3irv n ASP 75 Ca 0.14 0.51 0.08 0.00 0.71 0.00 0.00 54.79 56.23 3irv n ASP 75 Cb 0.36 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 3irv n ASP 75 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3irv n ILE 76 N -1.58 0.00 -0.07 0.53 -5.35 -0.68 -4.62 119.36 107.60 3irv n ILE 76 Ca 0.07 -0.32 -0.11 0.00 -0.27 0.00 0.00 62.75 62.12 3irv n ILE 76 Cb 0.35 1.17 -0.04 0.00 -1.74 0.00 0.00 39.64 39.37 3irv n ILE 76 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3irv h VAL 77 N 1.59 1.18 0.14 7.28 2.07 -1.60 -2.25 116.25 124.67 3irv h VAL 77 Ca 0.00 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3irv h VAL 77 Cb 0.52 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3irv h VAL 77 CO 0.00 0.18 -0.07 -0.61 0.02 0.00 0.00 177.57 177.09 3irv h GLN 78 N 0.20 -0.18 -0.98 1.57 4.15 -1.82 0.02 115.11 118.07 3irv h GLN 78 Ca 0.07 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.55 3irv h GLN 78 Cb 0.21 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.88 3irv h GLN 78 CO -0.00 -0.10 0.64 -1.00 -1.93 0.00 0.00 178.83 176.43 3irv h PRO 79 N -0.21 1.17 -0.75 -2.39 0.13 -1.82 -1.62 132.00 126.51 3irv h PRO 79 Ca -0.02 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3irv h PRO 79 Cb 0.16 -0.26 -0.04 0.00 0.13 0.00 0.00 31.00 30.99 3irv h PRO 79 CO 0.03 0.78 0.42 0.82 -0.23 0.00 0.00 178.00 179.81 3irv h ILE 80 N 1.21 1.23 -0.54 -3.56 2.04 -1.12 -0.65 117.51 116.11 3irv h ILE 80 Ca 0.41 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.75 3irv h ILE 80 Cb 0.07 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 3irv h ILE 80 CO -0.14 0.25 0.30 1.56 0.00 0.00 0.00 178.15 180.11 3irv h GLN 81 N 1.04 0.56 -0.58 2.37 4.20 -0.26 0.11 115.11 122.56 3irv h GLN 81 Ca 0.26 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 3irv h GLN 81 Cb 0.03 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 3irv h GLN 81 CO -0.04 0.37 0.32 0.87 -0.67 0.00 0.00 178.83 179.68 3irv h LYS 82 N 0.58 0.80 -0.29 1.46 1.57 -1.09 -1.66 116.57 117.94 3irv h LYS 82 Ca 0.23 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3irv h LYS 82 Cb 0.10 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3irv h LYS 82 CO -0.14 0.61 0.15 1.25 -0.57 0.00 0.00 179.45 180.75 3irv h LEU 83 N 0.78 0.22 -0.61 2.94 5.85 -0.39 -1.60 115.31 122.50 3irv h LEU 83 Ca 0.20 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 3irv h LEU 83 Cb 0.04 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3irv h LEU 83 CO -0.03 0.16 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.94 3irv h LEU 84 N 0.31 0.88 -0.55 2.25 3.38 -0.60 0.21 115.31 121.19 3irv h LEU 84 Ca 0.12 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3irv h LEU 84 Cb 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3irv h LEU 84 CO -0.08 1.07 0.34 -0.61 0.09 0.00 0.00 178.44 179.25 3irv h GLN 85 N 0.75 0.74 -0.53 1.13 4.15 -1.15 -0.63 115.11 119.57 3irv h GLN 85 Ca 0.10 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.34 3irv h GLN 85 Cb 0.76 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 3irv h GLN 85 CO 0.06 0.52 -0.15 0.00 -1.93 0.00 0.00 178.83 177.34 3irv h ALA 86 N 1.17 0.73 -0.02 3.38 0.00 -0.95 -2.51 119.26 121.07 3irv h ALA 86 Ca 0.20 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3irv h ALA 86 Cb -0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3irv h ALA 86 CO -0.04 0.68 0.01 0.00 0.00 0.00 0.00 179.25 179.90 3irv h ALA 87 N 0.91 0.03 -0.53 0.00 0.00 -0.66 -1.88 119.26 117.13 3irv h ALA 87 Ca 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3irv h ALA 87 Cb 0.73 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3irv h ALA 87 CO 0.06 -0.39 0.17 0.00 0.00 0.00 0.00 179.25 179.08 3irv h ARG 88 N -0.11 0.79 -0.08 0.00 3.08 -1.13 0.14 114.38 117.06 3irv h ARG 88 Ca 0.01 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 3irv h ARG 88 Cb 0.15 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3irv h ARG 88 CO -0.00 0.68 -0.17 0.00 -1.07 0.00 0.00 179.97 179.42 3irv h ALA 89 N 1.42 1.58 -0.66 0.04 0.00 -1.17 -2.45 119.26 118.01 3irv h ALA 89 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3irv h ALA 89 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3irv h ALA 89 CO -0.01 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.55 3irv n ALA 90 N -2.49 2.39 -2.67 0.00 0.00 -0.67 -4.94 120.51 112.13 3irv n ALA 90 Ca -0.01 -1.19 -0.19 0.00 0.00 0.00 0.00 53.44 52.04 3irv n ALA 90 Cb 0.27 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.79 3irv n ALA 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3irv n GLN 91 N 1.53 -3.05 -3.11 0.00 3.00 -0.68 -4.85 117.38 110.21 3irv n GLN 91 Ca 0.23 0.85 -0.40 0.00 -0.01 0.00 0.00 57.00 57.67 3irv n GLN 91 Cb 0.59 -5.45 -0.06 0.00 0.00 0.00 0.00 30.24 25.32 3irv n GLN 91 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3irv s VAL 92 N -3.03 5.00 0.30 5.09 1.01 0.39 -4.78 120.40 124.37 3irv s VAL 92 Ca 0.15 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.98 3irv s VAL 92 Cb -0.06 -3.94 -0.11 0.00 0.00 0.00 0.00 36.38 32.27 3irv s VAL 92 CO 0.18 0.06 1.59 -0.32 0.00 0.00 0.00 175.10 176.61 3irv s MET 93 N 2.28 4.12 -0.19 2.72 1.75 -1.24 -4.14 119.30 124.62 3irv s MET 93 Ca 0.27 2.58 -0.05 0.00 -1.25 0.00 0.00 55.69 57.24 3irv s MET 93 Cb -0.16 -3.02 -0.02 0.00 2.84 0.00 0.00 34.83 34.47 3irv s MET 93 CO 0.09 -0.63 -0.01 0.08 -0.65 0.00 0.00 175.02 173.90 3irv s VAL 94 N -0.06 3.93 -0.11 10.11 1.01 -1.26 -0.78 120.40 133.23 3irv s VAL 94 Ca 0.63 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.30 3irv s VAL 94 Cb -0.48 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.16 3irv s VAL 94 CO 0.49 0.45 -0.19 -0.63 0.00 0.00 0.00 175.10 175.22 3irv s ILE 95 N 0.79 1.74 -0.16 2.22 1.01 0.19 -1.43 121.20 125.55 3irv s ILE 95 Ca -0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 3irv s ILE 95 Cb -0.14 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3irv s ILE 95 CO 0.02 0.49 0.12 -0.31 0.00 0.00 0.00 174.94 175.26 3irv s TYR 96 N 0.75 3.47 -0.07 3.97 2.02 0.68 -0.40 117.35 127.77 3irv s TYR 96 Ca -0.11 0.39 -0.07 0.00 -0.37 0.00 0.00 57.07 56.91 3irv s TYR 96 Cb -0.16 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 3irv s TYR 96 CO 0.01 0.48 0.20 -0.51 -1.57 0.00 0.00 175.55 174.17 3irv s LEU 97 N -0.29 4.39 -0.04 -1.29 1.43 0.08 -0.58 118.68 122.38 3irv s LEU 97 Ca 0.11 0.53 0.03 0.00 -1.03 0.00 0.00 54.13 53.76 3irv s LEU 97 Cb -0.12 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.79 3irv s LEU 97 CO 0.01 0.35 -0.12 -0.13 0.23 0.00 0.00 176.35 176.69 3irv s ARG 98 N -1.31 1.41 -0.45 1.70 0.52 -0.61 -1.57 118.95 118.65 3irv s ARG 98 Ca 0.20 -0.41 -0.23 0.00 -0.52 0.00 0.00 55.73 54.77 3irv s ARG 98 Cb -0.13 -1.23 0.03 0.00 0.52 0.00 0.00 34.95 34.13 3irv s ARG 98 CO 0.10 0.11 0.78 -1.58 0.02 0.00 0.00 175.30 174.72 3irv s HIS 99 N 0.35 3.00 -0.07 -0.53 5.65 -1.26 -0.99 115.29 121.44 3irv s HIS 99 Ca -0.08 0.16 -0.04 0.00 0.25 0.00 0.00 55.06 55.36 3irv s HIS 99 Cb -0.12 -3.64 0.03 0.00 -1.18 0.00 0.00 32.58 27.67 3irv s HIS 99 CO 0.02 -0.97 0.16 0.42 -0.65 0.00 0.00 174.74 173.72 3irv s ILE 100 N 3.26 -0.03 0.36 0.89 1.01 -0.64 -4.91 121.20 121.14 3irv s ILE 100 Ca 0.29 0.11 0.07 0.00 0.00 0.00 0.00 60.65 61.13 3irv s ILE 100 Cb -0.12 -0.25 -0.07 0.00 0.01 0.00 0.00 42.46 42.02 3irv s ILE 100 CO 0.22 0.04 -0.02 0.68 0.00 0.00 0.00 174.94 175.87 3irv s VAL 101 N 0.79 1.90 0.25 2.92 -7.23 -0.11 -4.24 120.40 114.67 3irv s VAL 101 Ca -0.06 -2.07 -0.01 0.00 -1.81 0.00 0.00 61.98 58.02 3irv s VAL 101 Cb -0.08 -2.80 0.06 0.00 0.56 0.00 0.00 36.38 34.13 3irv s VAL 101 CO -0.04 -0.10 1.68 0.03 -0.31 0.00 0.00 175.10 176.37 3irv h ARG 102 N 1.96 0.66 0.00 4.82 3.08 -1.94 0.81 114.38 123.78 3irv h ARG 102 Ca -0.42 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.38 3irv h ARG 102 Cb 1.24 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3irv h ARG 102 CO 0.74 0.82 0.00 0.41 -1.07 0.00 0.00 179.97 180.87 3irv n GLY 103 N -0.35 2.17 0.87 0.04 0.00 -1.26 -3.97 105.19 102.69 3irv n GLY 103 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3irv n GLY 103 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3irv n ASP 104 N 0.00 2.68 0.00 1.61 5.68 -1.26 -4.78 116.55 120.48 3irv n ASP 104 Ca 0.00 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 3irv n ASP 104 Cb 0.00 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 3irv n ASP 104 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3irv n GLY 105 N 1.33 1.39 0.21 6.12 0.00 -1.26 -4.90 105.19 108.08 3irv n GLY 105 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 3irv n GLY 105 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3irv h SER 106 N 0.00 0.00 0.00 1.61 4.64 -1.99 -3.12 113.55 114.69 3irv h SER 106 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3irv h SER 106 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3irv h SER 106 CO 0.00 0.00 -0.11 -0.90 -0.87 0.00 0.00 176.83 174.95 3irv n ASP 107 N -2.62 1.59 -3.91 4.97 5.68 -1.26 -4.97 116.55 116.03 3irv n ASP 107 Ca 0.01 -2.51 -0.25 0.00 -0.50 0.00 0.00 54.79 51.54 3irv n ASP 107 Cb 0.22 -0.27 -0.17 0.00 -1.14 0.00 0.00 41.12 39.76 3irv n ASP 107 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3irv s THR 108 N -1.70 0.88 0.00 2.12 -4.23 -1.18 -4.98 115.64 106.55 3irv s THR 108 Ca 0.17 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 3irv s THR 108 Cb 0.15 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 73.09 3irv s THR 108 CO 0.02 0.33 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 3irv n GLY 109 N 4.63 0.66 0.36 3.99 0.00 -1.26 -4.67 105.19 108.89 3irv n GLY 109 Ca -0.15 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.94 3irv n GLY 109 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3irv h ARG 110 N 0.00 0.79 -0.97 1.61 2.47 -1.99 -1.52 114.38 114.77 3irv h ARG 110 Ca 0.00 -0.05 0.05 0.00 -1.26 0.00 0.00 59.98 58.73 3irv h ARG 110 Cb 0.00 -0.18 -0.06 0.00 -1.65 0.00 0.00 29.97 28.08 3irv h ARG 110 CO 0.00 0.52 0.62 1.98 0.56 0.00 0.00 179.97 183.65 3irv h MET 111 N 0.81 1.12 0.00 0.04 4.05 -1.94 -1.30 114.93 117.72 3irv h MET 111 Ca 0.38 -0.07 -0.15 0.00 -0.28 0.00 0.00 59.70 59.58 3irv h MET 111 Cb 0.39 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 3irv h MET 111 CO -0.15 0.74 -0.72 -0.09 0.23 0.00 0.00 176.91 176.93 3irv h ARG 112 N 1.16 0.00 -0.61 0.39 2.43 -1.50 0.16 114.38 116.41 3irv h ARG 112 Ca 0.41 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.50 3irv h ARG 112 Cb 0.11 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3irv h ARG 112 CO -0.16 0.72 0.09 -0.44 -1.51 0.00 0.00 179.97 178.68 3irv h ASP 113 N 0.00 0.94 0.41 -3.80 3.32 -0.54 -2.73 116.42 114.02 3irv h ASP 113 Ca -0.01 -0.21 -0.31 0.00 0.02 0.00 0.00 57.03 56.52 3irv h ASP 113 Cb 1.27 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 40.58 3irv h ASP 113 CO 0.09 0.95 -1.52 -0.07 -1.72 0.00 0.00 179.24 176.97 3irv h LEU 114 N 0.93 0.51 -7.15 1.55 -0.00 -1.13 -3.40 115.31 106.63 3irv h LEU 114 Ca 0.19 -0.66 -0.62 0.00 -0.00 0.00 0.00 57.88 56.79 3irv h LEU 114 Cb 0.41 -0.17 -0.41 0.00 -0.00 0.00 0.00 40.66 40.50 3irv h LEU 114 CO 0.01 1.54 -0.68 -0.31 -0.00 0.00 0.00 178.44 179.00 3irv s TYR 115 N -2.61 2.67 0.58 1.13 2.02 0.54 -5.00 117.35 116.67 3irv s TYR 115 Ca -0.09 -2.86 0.28 0.00 -0.37 0.00 0.00 57.07 54.03 3irv s TYR 115 Cb 0.06 -2.36 1.52 0.00 -0.40 0.00 0.00 41.96 40.78 3irv s TYR 115 CO 0.87 -0.74 1.97 -1.35 -1.57 0.00 0.00 175.55 174.74 3irv h PRO 116 N 6.42 0.00 -0.52 -1.71 0.11 -1.71 -1.15 132.00 133.44 3irv h PRO 116 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3irv h PRO 116 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3irv h PRO 116 CO 0.60 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.66 3irv n ASN 117 N -3.85 3.03 -0.33 -2.05 6.94 -1.26 -4.62 115.26 113.12 3irv n ASN 117 Ca 0.07 -1.97 0.11 0.00 -0.02 0.00 0.00 54.58 52.76 3irv n ASN 117 Cb 0.57 -0.34 0.32 0.00 -2.36 0.00 0.00 39.78 37.96 3irv n ASN 117 CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 3irv h VAL 118 N 3.43 0.83 0.00 3.53 3.04 -1.54 0.07 116.25 125.62 3irv h VAL 118 Ca 0.00 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 3irv h VAL 118 Cb 0.78 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.00 3irv h VAL 118 CO 0.00 0.15 0.00 0.44 -1.01 0.00 0.00 177.57 177.15 3irv h ASP 119 N 0.82 0.00 -0.01 3.17 3.32 -1.84 -1.21 116.42 120.67 3irv h ASP 119 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 3irv h ASP 119 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3irv h ASP 119 CO -0.27 0.00 -0.56 0.00 -1.72 0.00 0.00 179.24 176.69 3irv n GLN 120 N -2.62 1.30 -0.00 3.56 3.00 -0.02 -4.04 117.38 118.56 3irv n GLN 120 Ca 0.01 -0.59 0.00 0.00 -0.01 0.00 0.00 57.00 56.42 3irv n GLN 120 Cb 0.26 -1.37 -0.00 0.00 0.00 0.00 0.00 30.24 29.13 3irv n GLN 120 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 3irv n ILE 121 N -0.55 0.01 -0.62 5.09 -5.35 -0.99 -4.75 119.36 112.20 3irv n ILE 121 Ca 0.06 -0.01 0.07 0.00 -0.27 0.00 0.00 62.75 62.60 3irv n ILE 121 Cb 0.36 -0.16 0.16 0.00 -1.74 0.00 0.00 39.64 38.26 3irv n ILE 121 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3irv n LEU 122 N -1.73 2.92 -4.76 7.28 4.77 -0.49 -4.70 117.00 120.29 3irv n LEU 122 Ca -0.00 -2.59 -0.38 0.00 -0.03 0.00 0.00 56.01 53.00 3irv n LEU 122 Cb 0.23 -0.34 0.02 0.00 -2.33 0.00 0.00 43.42 41.00 3irv n LEU 122 CO 0.01 0.66 0.96 0.00 -1.33 0.00 0.00 177.39 177.69 3irv s ALA 123 N -2.04 2.98 0.30 -1.18 0.00 -1.26 -0.93 121.76 119.62 3irv s ALA 123 Ca 0.27 1.25 0.04 0.00 0.00 0.00 0.00 51.96 53.52 3irv s ALA 123 Cb 0.21 -3.52 0.76 0.00 0.00 0.00 0.00 23.12 20.57 3irv s ALA 123 CO 0.07 -1.11 1.67 0.00 0.00 0.00 0.00 175.76 176.39 3irv h ARG 124 N 1.90 0.28 0.00 0.00 3.08 -0.96 0.10 114.38 118.79 3irv h ARG 124 Ca -0.50 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.53 3irv h ARG 124 Cb 1.28 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3irv h ARG 124 CO 0.59 0.19 0.00 1.58 -1.07 0.00 0.00 179.97 181.26 3irv n HIS 125 N -5.14 0.08 -2.45 3.04 -0.00 -1.26 -4.80 115.22 104.69 3irv n HIS 125 Ca 0.23 0.02 -0.42 0.00 0.46 0.00 0.00 57.72 58.01 3irv n HIS 125 Cb 0.71 -0.54 -0.03 0.00 -0.12 0.00 0.00 29.99 30.01 3irv n HIS 125 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3irv s ASP 126 N -3.12 7.03 0.50 0.26 1.01 0.02 -4.91 116.67 117.46 3irv s ASP 126 Ca 0.11 1.81 0.24 0.00 0.71 0.00 0.00 52.55 55.41 3irv s ASP 126 Cb 0.15 -2.56 1.31 0.00 1.01 0.00 0.00 42.92 42.84 3irv s ASP 126 CO 0.43 -0.61 1.96 -0.65 0.21 0.00 0.00 175.17 176.51 3irv h PRO 127 N 7.55 0.12 0.00 8.23 0.11 -1.88 -2.23 132.00 143.89 3irv h PRO 127 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3irv h PRO 127 Cb 1.15 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3irv h PRO 127 CO 0.89 0.08 0.00 -0.25 -0.21 0.00 0.00 178.00 178.51 3irv n ASP 128 N -4.39 0.00 0.00 -2.05 8.00 -1.26 -2.73 116.55 114.12 3irv n ASP 128 Ca 0.13 -0.58 0.14 0.00 0.71 0.00 0.00 54.79 55.19 3irv n ASP 128 Cb 0.64 -0.10 0.65 0.00 -0.02 0.00 0.00 41.12 42.30 3irv n ASP 128 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3irv n VAL 129 N -1.10 0.01 -2.48 2.53 0.24 -0.84 -0.37 118.33 116.33 3irv n VAL 129 Ca 0.17 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 62.11 3irv n VAL 129 Cb 0.13 -0.51 -0.03 0.00 -1.47 0.00 0.00 33.84 31.96 3irv n VAL 129 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3irv s GLU 130 N -2.88 4.05 0.36 7.34 0.41 -1.11 -4.71 118.70 122.16 3irv s GLU 130 Ca 0.18 1.57 -0.28 0.00 -0.41 0.00 0.00 54.97 56.02 3irv s GLU 130 Cb 0.19 -2.48 -0.11 0.00 -1.78 0.00 0.00 34.13 29.95 3irv s GLU 130 CO 0.51 -0.26 1.48 0.08 -0.49 0.00 0.00 175.26 176.58 3irv s VAL 131 N -1.65 2.14 0.50 2.63 1.01 -1.26 -0.86 120.40 122.90 3irv s VAL 131 Ca 0.60 0.13 -0.23 0.00 0.00 0.00 0.00 61.98 62.48 3irv s VAL 131 Cb -0.23 -3.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 3irv s VAL 131 CO 0.29 0.03 1.28 2.30 0.00 0.00 0.00 175.10 179.00 3irv n ILE 132 N 0.73 3.23 0.11 2.22 -5.35 -0.50 -4.78 119.36 115.02 3irv n ILE 132 Ca 0.02 -0.50 0.05 0.00 -0.27 0.00 0.00 62.75 62.04 3irv n ILE 132 Cb 0.39 -1.58 0.48 0.00 -1.74 0.00 0.00 39.64 37.20 3irv n ILE 132 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3irv h GLU 133 N 1.64 0.29 0.00 6.28 4.57 -1.92 -0.64 114.58 124.79 3irv h GLU 133 Ca -0.49 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3irv h GLU 133 Cb 1.31 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.84 3irv h GLU 133 CO 0.58 0.25 -0.00 0.00 -1.18 0.00 0.00 179.01 178.66 3irv h ALA 134 N 1.79 1.06 0.00 2.92 0.00 -1.99 -1.84 119.26 121.20 3irv h ALA 134 Ca 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3irv h ALA 134 Cb 0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3irv h ALA 134 CO -0.01 0.00 -0.42 1.28 0.00 0.00 0.00 179.25 180.10 3irv n LEU 135 N -3.16 2.27 -4.67 0.00 4.77 -0.28 -4.91 117.00 111.01 3irv n LEU 135 Ca -0.03 -3.31 -0.54 0.00 -0.03 0.00 0.00 56.01 52.11 3irv n LEU 135 Cb 0.08 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.70 3irv n LEU 135 CO 0.21 1.05 1.22 0.00 -1.33 0.00 0.00 177.39 178.54 3irv n ALA 136 N -0.96 -0.13 -1.71 -1.18 0.00 -0.69 -4.86 120.51 110.98 3irv n ALA 136 Ca 0.16 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.60 3irv n ALA 136 Cb 0.73 -2.23 0.01 0.00 0.00 0.00 0.00 19.45 17.96 3irv n ALA 136 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3irv n PRO 137 N 4.60 1.95 -3.18 0.00 -0.02 -1.26 -5.01 135.00 132.08 3irv n PRO 137 Ca 0.23 0.70 -0.20 0.00 -2.02 0.00 0.00 63.50 62.21 3irv n PRO 137 Cb 0.18 -2.41 0.01 0.00 -0.02 0.00 0.00 33.50 31.26 3irv n PRO 137 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3irv s GLN 138 N -2.25 2.99 0.41 -0.52 -0.21 -1.26 -5.00 119.66 113.82 3irv s GLN 138 Ca 0.61 -0.90 0.12 0.00 0.02 0.00 0.00 55.36 55.22 3irv s GLN 138 Cb -0.50 -2.71 0.96 0.00 1.00 0.00 0.00 33.01 31.76 3irv s GLN 138 CO 0.58 -0.16 1.95 0.66 -2.12 0.00 0.00 175.29 176.20 3irv h SER 139 N 0.64 0.46 0.36 5.90 4.64 -2.04 -1.14 113.55 122.37 3irv h SER 139 Ca -0.44 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3irv h SER 139 Cb 1.26 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3irv h SER 139 CO 0.52 0.27 -0.25 0.47 -0.87 0.00 0.00 176.83 176.98 3irv n ASP 140 N -4.48 0.71 -4.81 4.97 8.00 -1.26 -4.92 116.55 114.76 3irv n ASP 140 Ca 0.12 -0.61 -0.31 0.00 0.71 0.00 0.00 54.79 54.70 3irv n ASP 140 Cb 0.39 0.06 0.06 0.00 -0.02 0.00 0.00 41.12 41.61 3irv n ASP 140 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3irv s ASP 141 N -2.61 5.16 -0.09 -2.24 1.01 -0.43 -4.87 116.67 112.60 3irv s ASP 141 Ca 0.23 1.64 -0.00 0.00 0.71 0.00 0.00 52.55 55.12 3irv s ASP 141 Cb 0.19 -2.48 -0.03 0.00 1.01 0.00 0.00 42.92 41.62 3irv s ASP 141 CO 0.54 -1.59 -0.06 -0.69 0.21 0.00 0.00 175.17 173.58 3irv s VAL 142 N -3.02 3.75 -0.18 -1.27 1.01 -0.52 -4.91 120.40 115.25 3irv s VAL 142 Ca 0.59 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 3irv s VAL 142 Cb -0.15 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 3irv s VAL 142 CO 0.55 0.57 -0.11 -0.63 0.00 0.00 0.00 175.10 175.48 3irv s ILE 143 N -0.50 2.95 -0.16 2.22 1.01 -1.26 -0.23 121.20 125.23 3irv s ILE 143 Ca 0.08 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.08 3irv s ILE 143 Cb -0.12 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.07 3irv s ILE 143 CO 0.02 0.48 -0.18 -0.69 0.00 0.00 0.00 174.94 174.57 3irv s VAL 144 N 1.06 2.37 0.11 2.92 1.01 0.26 -4.96 120.40 123.17 3irv s VAL 144 Ca -0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3irv s VAL 144 Cb -0.15 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3irv s VAL 144 CO -0.02 0.53 0.32 -1.81 0.00 0.00 0.00 175.10 174.11 3irv s ASP 145 N 0.93 6.45 0.01 3.32 1.01 -1.26 -1.57 116.67 125.55 3irv s ASP 145 Ca -0.04 0.48 -0.06 0.00 0.71 0.00 0.00 52.55 53.65 3irv s ASP 145 Cb -0.15 -2.05 -0.01 0.00 1.01 0.00 0.00 42.92 41.73 3irv s ASP 145 CO -0.03 0.09 0.10 -1.59 0.21 0.00 0.00 175.17 173.95 3irv s LYS 146 N -2.59 0.48 0.11 8.23 -2.85 -0.16 -4.69 119.74 118.27 3irv s LYS 146 Ca 0.39 -0.52 0.23 0.00 -1.00 0.00 0.00 55.97 55.07 3irv s LYS 146 Cb -0.12 0.19 0.16 0.00 -2.06 0.00 0.00 37.83 36.00 3irv s LYS 146 CO 0.26 -0.11 1.14 1.28 0.10 0.00 0.00 175.35 178.02 3irv n LEU 147 N 1.31 0.68 0.00 2.77 4.77 -1.26 -1.62 117.00 123.66 3irv n LEU 147 Ca -0.22 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3irv n LEU 147 Cb 0.56 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3irv n LEU 147 CO 0.21 -0.05 0.00 0.33 -1.33 0.00 0.00 177.39 176.55 3irv n PHE 148 N -2.18 0.00 -0.04 -1.77 -0.00 -1.26 -4.88 117.46 107.32 3irv n PHE 148 Ca 0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.25 3irv n PHE 148 Cb 0.46 0.00 -0.13 0.00 -0.00 0.00 0.00 39.48 39.82 3irv n PHE 148 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 3irv h TYR 149 N 0.00 0.29 -2.94 -5.13 0.05 -1.95 -3.47 116.97 103.82 3irv h TYR 149 Ca 0.00 -0.21 -0.52 0.00 0.05 0.00 0.00 58.73 58.05 3irv h TYR 149 Cb 0.00 -0.01 0.06 0.00 1.01 0.00 0.00 36.73 37.79 3irv h TYR 149 CO 0.00 1.65 0.91 0.45 -1.05 0.00 0.00 178.16 180.12 3irv s SER 150 N -6.98 6.49 0.22 3.88 0.15 -1.26 -4.50 113.70 111.71 3irv s SER 150 Ca -0.25 2.76 0.25 0.00 0.70 0.00 0.00 55.95 59.41 3irv s SER 150 Cb 0.06 -2.61 0.91 0.00 -1.71 0.00 0.00 66.02 62.67 3irv s SER 150 CO 0.70 -0.87 1.74 0.61 1.20 0.00 0.00 173.24 176.62 3irv n GLY 151 N 3.34 -1.47 0.12 9.45 0.00 -1.26 -4.06 105.19 111.31 3irv n GLY 151 Ca 0.13 0.03 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 3irv n GLY 151 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3irv n PHE 152 N -2.20 0.00 -2.01 1.61 3.72 -1.26 -4.43 117.46 112.89 3irv n PHE 152 Ca 0.04 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.01 3irv n PHE 152 Cb 0.32 -0.87 -0.03 0.00 -0.94 0.00 0.00 39.48 37.96 3irv n PHE 152 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3irv s HIS 153 N -2.45 1.91 -1.37 1.38 2.46 -1.26 -2.56 115.29 113.41 3irv s HIS 153 Ca -0.31 0.46 0.00 0.00 0.47 0.00 0.00 55.06 55.68 3irv s HIS 153 Cb 0.08 -4.01 0.00 0.00 -0.13 0.00 0.00 32.58 28.52 3irv s HIS 153 CO 0.52 -3.29 0.00 0.09 -2.47 0.00 0.00 174.74 169.58 3irv n ASN 154 N 8.83 -4.72 -4.63 9.88 3.02 -1.26 -4.90 115.26 121.48 3irv n ASN 154 Ca 0.20 0.01 -0.28 0.00 -0.03 0.00 0.00 54.58 54.48 3irv n ASN 154 Cb 0.45 -3.83 -0.11 0.00 -0.61 0.00 0.00 39.78 35.68 3irv n ASN 154 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3irv s THR 155 N -2.77 1.90 -1.09 3.41 -4.23 -1.06 -4.95 115.64 106.84 3irv s THR 155 Ca 0.00 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.63 3irv s THR 155 Cb 0.00 -2.92 0.13 0.00 1.34 0.00 0.00 72.50 71.04 3irv s THR 155 CO 0.00 0.00 1.37 0.47 -0.54 0.00 0.00 174.62 175.92 3irv n ASP 156 N -0.99 0.00 -0.22 3.99 8.00 -1.26 -4.25 116.55 121.82 3irv n ASP 156 Ca -0.06 0.41 -0.06 0.00 0.71 0.00 0.00 54.79 55.79 3irv n ASP 156 Cb 0.67 -0.45 0.04 0.00 -0.02 0.00 0.00 41.12 41.35 3irv n ASP 156 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3irv h LEU 157 N 0.00 0.74 -1.09 0.64 5.85 -1.86 -2.10 115.31 117.48 3irv h LEU 157 Ca 0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3irv h LEU 157 Cb 0.19 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3irv h LEU 157 CO 0.00 0.58 0.47 0.44 -0.34 0.00 0.00 178.44 179.59 3irv h ASP 158 N 0.83 0.97 -0.16 1.25 3.32 -1.86 -0.91 116.42 119.86 3irv h ASP 158 Ca 0.22 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3irv h ASP 158 Cb -0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3irv h ASP 158 CO -0.04 0.76 0.03 0.74 -1.72 0.00 0.00 179.24 179.01 3irv h THR 159 N 1.11 1.21 -0.61 0.35 2.02 -1.69 0.04 112.91 115.34 3irv h THR 159 Ca 0.29 -0.69 0.04 0.00 0.77 0.00 0.00 66.41 66.81 3irv h THR 159 Cb -0.03 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 3irv h THR 159 CO -0.05 0.21 0.36 0.58 0.37 0.00 0.00 175.52 176.99 3irv h VAL 160 N 0.05 1.04 -0.01 3.16 2.07 -0.89 0.62 116.25 122.30 3irv h VAL 160 Ca 0.05 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3irv h VAL 160 Cb 0.29 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3irv h VAL 160 CO 0.00 0.13 -0.04 -0.07 0.02 0.00 0.00 177.57 177.61 3irv h LEU 161 N 0.71 0.05 -0.86 2.57 3.38 -1.10 -3.18 115.31 116.88 3irv h LEU 161 Ca 0.26 -0.63 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 3irv h LEU 161 Cb 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3irv h LEU 161 CO -0.12 0.67 -0.51 0.03 0.09 0.00 0.00 178.44 178.61 3irv h ARG 162 N -0.57 0.16 -0.44 1.13 2.47 -0.88 -0.39 114.38 115.88 3irv h ARG 162 Ca -0.00 -0.09 0.06 0.00 -1.26 0.00 0.00 59.98 58.69 3irv h ARG 162 Cb 0.67 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.97 3irv h ARG 162 CO 0.01 0.63 0.29 0.00 0.56 0.00 0.00 179.97 181.47 3irv h ALA 163 N 1.35 1.99 -0.12 0.04 0.00 -0.94 -0.56 119.26 121.03 3irv h ALA 163 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3irv h ALA 163 Cb 0.94 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3irv h ALA 163 CO 0.07 -0.07 0.00 -2.13 0.00 0.00 0.00 179.25 177.12 3irv n ARG 164 N -4.47 1.92 -2.56 0.00 0.63 -0.92 -4.94 116.66 106.32 3irv n ARG 164 Ca 0.06 -1.35 -0.19 0.00 -0.92 0.00 0.00 57.85 55.45 3irv n ARG 164 Cb 0.27 -1.45 0.01 0.00 0.45 0.00 0.00 32.46 31.73 3irv n ARG 164 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3irv n ASP 165 N 0.60 -5.41 -4.74 6.15 2.03 -0.22 -4.82 116.55 110.14 3irv n ASP 165 Ca 0.17 -0.10 -0.41 0.00 0.52 0.00 0.00 54.79 54.97 3irv n ASP 165 Cb 0.42 -4.39 -0.04 0.00 -0.72 0.00 0.00 41.12 36.38 3irv n ASP 165 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3irv s VAL 166 N -2.98 4.14 0.00 5.18 1.01 -0.20 -4.66 120.40 122.89 3irv s VAL 166 Ca 0.10 1.87 0.00 0.00 0.00 0.00 0.00 61.98 63.95 3irv s VAL 166 Cb -0.04 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3irv s VAL 166 CO 0.12 0.33 0.49 -0.90 0.00 0.00 0.00 175.10 175.14 3irv n ASP 167 N 2.35 0.80 -3.93 3.32 5.75 -0.44 -4.53 116.55 119.87 3irv n ASP 167 Ca 0.02 -1.23 -0.23 0.00 -0.01 0.00 0.00 54.79 53.34 3irv n ASP 167 Cb 0.47 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.40 3irv n ASP 167 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3irv s THR 168 N -0.23 0.81 -0.02 2.12 2.01 -0.89 -0.62 115.64 118.82 3irv s THR 168 Ca 0.00 -0.25 0.05 0.00 0.31 0.00 0.00 61.69 61.80 3irv s THR 168 Cb 0.00 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 3irv s THR 168 CO 0.00 0.29 -0.18 0.27 -0.69 0.00 0.00 174.62 174.32 3irv s ILE 169 N 1.01 1.42 -0.22 1.82 -4.36 -0.27 -1.35 121.20 119.25 3irv s ILE 169 Ca -0.09 -0.76 -0.05 0.00 -0.26 0.00 0.00 60.65 59.49 3irv s ILE 169 Cb -0.14 -1.19 -0.02 0.00 1.25 0.00 0.00 42.46 42.35 3irv s ILE 169 CO -0.00 0.40 0.01 -0.63 0.24 0.00 0.00 174.94 174.97 3irv s ILE 170 N -0.33 3.93 -0.16 8.37 1.01 -0.22 -0.78 121.20 133.02 3irv s ILE 170 Ca 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 3irv s ILE 170 Cb -0.08 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 3irv s ILE 170 CO -0.00 0.40 -0.06 -0.69 0.00 0.00 0.00 174.94 174.59 3irv s VAL 171 N 1.30 3.66 0.18 2.92 1.01 0.39 -0.33 120.40 129.54 3irv s VAL 171 Ca 0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3irv s VAL 171 Cb -0.15 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3irv s VAL 171 CO 0.01 0.49 0.12 0.00 0.00 0.00 0.00 175.10 175.72 3irv n GLY 173 N -0.22 0.19 3.27 0.00 0.00 0.07 -0.10 105.19 108.40 3irv n GLY 173 Ca -0.00 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 3irv n GLY 173 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3irv s THR 174 N -0.46 0.06 -0.04 2.61 -1.32 -0.38 -1.10 115.64 115.01 3irv s THR 174 Ca 0.00 -0.52 -0.14 0.00 -1.21 0.00 0.00 61.69 59.82 3irv s THR 174 Cb 0.00 -0.80 -0.05 0.00 -1.51 0.00 0.00 72.50 70.14 3irv s THR 174 CO 0.00 -0.29 0.38 -0.69 -2.21 0.00 0.00 174.62 171.81 3irv s VAL 175 N -1.93 5.13 0.21 5.08 1.01 -1.26 -4.36 120.40 124.28 3irv s VAL 175 Ca -0.09 0.76 -0.18 0.00 0.00 0.00 0.00 61.98 62.46 3irv s VAL 175 Cb -0.03 -3.68 0.20 0.00 0.00 0.00 0.00 36.38 32.87 3irv s VAL 175 CO 0.01 0.53 1.57 0.74 0.00 0.00 0.00 175.10 177.95 3irv h THR 176 N 3.97 0.11 -0.01 3.92 2.02 -1.47 -0.35 112.91 121.11 3irv h THR 176 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3irv h THR 176 Cb 1.21 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3irv h THR 176 CO 0.64 0.00 -0.28 -0.46 0.37 0.00 0.00 175.52 175.79 3irv n ASN 177 N -5.46 0.93 0.00 4.18 6.94 -1.26 -0.62 115.26 119.97 3irv n ASN 177 Ca 0.07 -0.79 0.00 0.00 -0.02 0.00 0.00 54.58 53.84 3irv n ASN 177 Cb 0.38 0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 3irv n ASN 177 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3irv n VAL 178 N -0.78 0.00 -0.17 3.53 0.31 -0.21 -4.50 118.33 116.51 3irv n VAL 178 Ca 0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.36 3irv n VAL 178 Cb 0.34 -0.17 0.06 0.00 -0.91 0.00 0.00 33.84 33.17 3irv n VAL 178 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3irv h GLU 181 N -0.55 0.95 -0.59 0.00 5.08 -0.83 -0.10 114.58 118.53 3irv h GLU 181 Ca -0.03 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 3irv h GLU 181 Cb 0.41 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3irv h GLU 181 CO 0.05 0.79 0.13 1.15 -1.00 0.00 0.00 179.01 180.13 3irv h THR 182 N 0.92 1.25 -0.50 1.13 2.02 -0.93 0.20 112.91 117.02 3irv h THR 182 Ca 0.21 -0.93 0.03 0.00 0.77 0.00 0.00 66.41 66.49 3irv h THR 182 Cb 0.22 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 3irv h THR 182 CO -0.01 0.35 0.28 0.74 0.37 0.00 0.00 175.52 177.24 3irv h THR 183 N 0.87 1.02 0.14 3.16 2.02 -0.88 0.57 112.91 119.81 3irv h THR 183 Ca 0.18 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3irv h THR 183 Cb 0.37 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3irv h THR 183 CO 0.01 0.10 -0.12 0.40 0.37 0.00 0.00 175.52 176.28 3irv h ILE 184 N 0.56 0.74 -0.51 3.11 2.04 -0.63 0.87 117.51 123.68 3irv h ILE 184 Ca 0.21 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.09 3irv h ILE 184 Cb 0.05 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3irv h ILE 184 CO -0.11 0.00 0.31 0.03 0.00 0.00 0.00 178.15 178.38 3irv h ARG 185 N -0.27 0.61 -0.07 2.37 3.08 -0.48 -0.60 114.38 119.01 3irv h ARG 185 Ca -0.00 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3irv h ARG 185 Cb 0.25 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3irv h ARG 185 CO -0.01 0.40 -0.34 -0.44 -1.07 0.00 0.00 179.97 178.51 3irv h ASP 186 N 0.62 0.14 0.04 7.04 3.32 -0.82 -2.15 116.42 124.61 3irv h ASP 186 Ca 0.20 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3irv h ASP 186 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3irv h ASP 186 CO -0.08 0.47 -0.02 1.23 -1.72 0.00 0.00 179.24 179.12 3irv h GLY 187 N 1.08 -0.05 1.65 2.75 0.00 -0.34 -2.88 103.07 105.28 3irv h GLY 187 Ca 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 3irv h GLY 187 CO 0.05 -0.02 0.08 -0.24 0.00 0.00 0.00 176.54 176.41 3irv h VAL 188 N -0.48 1.15 0.00 4.60 3.04 -0.99 -1.06 116.25 122.51 3irv h VAL 188 Ca -0.01 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 3irv h VAL 188 Cb 0.44 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 3irv h VAL 188 CO 0.01 0.19 0.00 0.45 -1.01 0.00 0.00 177.57 177.20 3irv h HIS 189 N 0.44 0.00 -0.45 3.17 -0.00 -1.37 0.74 115.15 117.68 3irv h HIS 189 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 3irv h HIS 189 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 3irv h HIS 189 CO 0.01 0.00 0.00 0.54 -0.00 0.00 0.00 177.93 178.48 3irv n ARG 190 N -3.05 2.22 -1.01 2.45 1.74 -0.49 -4.94 116.66 113.58 3irv n ARG 190 Ca -0.00 -1.88 -0.01 0.00 -0.77 0.00 0.00 57.85 55.19 3irv n ARG 190 Cb 0.25 -1.44 -0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3irv n ARG 190 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3irv n GLU 191 N 1.05 -0.11 -2.34 5.56 -0.58 0.25 -5.03 120.64 119.44 3irv n GLU 191 Ca 0.18 0.24 -0.37 0.00 -0.42 0.00 0.00 57.16 56.79 3irv n GLU 191 Cb 0.47 -3.51 -0.02 0.00 -0.57 0.00 0.00 31.44 27.81 3irv n GLU 191 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3irv s TYR 192 N -1.98 3.01 -0.44 -0.32 2.02 -0.65 -4.98 117.35 114.00 3irv s TYR 192 Ca 0.00 1.57 -0.25 0.00 -0.37 0.00 0.00 57.07 58.02 3irv s TYR 192 Cb 0.00 -3.31 0.02 0.00 -0.40 0.00 0.00 41.96 38.27 3irv s TYR 192 CO 0.00 -1.24 0.89 0.15 -1.57 0.00 0.00 175.55 173.78 3irv s LYS 193 N -2.58 3.57 -0.14 -0.62 1.02 0.21 -4.21 119.74 116.99 3irv s LYS 193 Ca 0.61 0.18 -0.04 0.00 0.02 0.00 0.00 55.97 56.74 3irv s LYS 193 Cb -0.27 -3.90 -0.03 0.00 -0.52 0.00 0.00 37.83 33.10 3irv s LYS 193 CO 0.33 -1.14 0.01 0.08 -0.92 0.00 0.00 175.35 173.71 3irv s VAL 194 N 3.60 4.32 -0.20 3.17 1.01 -1.26 -1.11 120.40 129.92 3irv s VAL 194 Ca 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 3irv s VAL 194 Cb -0.11 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.40 3irv s VAL 194 CO 0.24 0.52 -0.14 -0.63 0.00 0.00 0.00 175.10 175.09 3irv s ILE 195 N -0.02 2.51 -0.16 2.22 1.01 0.04 -0.77 121.20 126.04 3irv s ILE 195 Ca 0.03 -0.85 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 3irv s ILE 195 Cb -0.13 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 3irv s ILE 195 CO 0.02 0.45 0.13 0.00 0.00 0.00 0.00 174.94 175.54 3irv s ALA 196 N 1.34 3.77 -0.36 9.38 0.00 0.69 -0.46 121.76 136.12 3irv s ALA 196 Ca 0.04 -0.67 -0.20 0.00 0.00 0.00 0.00 51.96 51.13 3irv s ALA 196 Cb -0.14 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.92 3irv s ALA 196 CO -0.09 0.38 0.61 -0.51 0.00 0.00 0.00 175.76 176.14 3irv s LEU 197 N -0.29 4.28 0.48 0.00 1.43 -1.05 -1.75 118.68 121.77 3irv s LEU 197 Ca 0.11 0.10 0.15 0.00 -1.03 0.00 0.00 54.13 53.46 3irv s LEU 197 Cb -0.11 -2.74 1.14 0.00 0.03 0.00 0.00 46.19 44.51 3irv s LEU 197 CO 0.01 -0.57 2.06 0.77 0.23 0.00 0.00 176.35 178.84 3irv h SER 198 N 8.47 0.20 -0.52 2.29 4.64 -1.31 -2.46 113.55 124.86 3irv h SER 198 Ca -0.27 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3irv h SER 198 Cb 1.11 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3irv h SER 198 CO 0.82 0.13 0.00 -0.90 -0.87 0.00 0.00 176.83 176.01 3irv n ASP 199 N -4.48 3.92 -0.91 4.97 5.75 -1.26 -4.40 116.55 120.13 3irv n ASP 199 Ca 0.04 -2.30 0.03 0.00 -0.01 0.00 0.00 54.79 52.56 3irv n ASP 199 Cb 0.25 -0.45 0.04 0.00 -1.03 0.00 0.00 41.12 39.94 3irv n ASP 199 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3irv n ALA 200 N 0.82 2.37 -3.48 2.12 0.00 -0.93 -4.67 120.51 116.73 3irv n ALA 200 Ca 0.21 -2.00 -0.24 0.00 0.00 0.00 0.00 53.44 51.41 3irv n ALA 200 Cb 0.69 -0.58 -0.17 0.00 0.00 0.00 0.00 19.45 19.40 3irv n ALA 200 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3irv s ASN 201 N -1.86 1.76 -0.17 0.00 0.01 -1.18 -0.75 114.94 112.74 3irv s ASN 201 Ca 0.22 -0.29 -0.04 0.00 -0.71 0.00 0.00 52.86 52.04 3irv s ASN 201 Cb 0.24 -0.81 -0.02 0.00 0.41 0.00 0.00 41.25 41.06 3irv s ASN 201 CO -0.08 0.03 -0.04 0.00 -1.51 0.00 0.00 177.10 175.50 3irv s ALA 202 N 0.70 2.96 0.33 0.60 0.00 -0.26 -4.84 121.76 121.25 3irv s ALA 202 Ca -0.14 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 50.98 3irv s ALA 202 Cb -0.16 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 3irv s ALA 202 CO 0.03 0.05 0.35 0.00 0.00 0.00 0.00 175.76 176.19 3irv s ALA 203 N 0.66 3.98 0.12 0.00 0.00 -1.26 -1.36 121.76 123.90 3irv s ALA 203 Ca -0.02 -1.57 0.10 0.00 0.00 0.00 0.00 51.96 50.46 3irv s ALA 203 Cb -0.14 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 3irv s ALA 203 CO 0.02 0.00 -0.21 1.41 0.00 0.00 0.00 175.76 176.99 3irv s MET 204 N -4.05 1.67 0.60 0.00 1.75 -1.26 -4.51 119.30 113.51 3irv s MET 204 Ca 0.42 -1.24 -0.17 0.00 -1.25 0.00 0.00 55.69 53.46 3irv s MET 204 Cb -0.07 -2.05 -0.03 0.00 2.84 0.00 0.00 34.83 35.52 3irv s MET 204 CO 0.28 0.47 1.09 -0.51 -0.65 0.00 0.00 175.02 175.70 3irv s ASP 205 N -2.14 5.53 0.12 1.11 1.01 -1.26 -3.91 116.67 117.13 3irv s ASP 205 Ca 0.17 1.98 0.11 0.00 0.71 0.00 0.00 52.55 55.52 3irv s ASP 205 Cb -0.10 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 3irv s ASP 205 CO 0.09 -1.35 -0.26 -0.31 0.21 0.00 0.00 175.17 173.55 3irv s TYR 206 N -2.21 2.23 0.74 4.23 2.02 -0.12 -4.89 117.35 119.35 3irv s TYR 206 Ca 0.67 -0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.88 3irv s TYR 206 Cb -0.20 -1.21 0.03 0.00 -0.40 0.00 0.00 41.96 40.18 3irv s TYR 206 CO 0.35 0.31 1.07 -1.25 -1.57 0.00 0.00 175.55 174.47 3irv s PRO 207 N -2.02 2.57 -0.25 -1.71 0.04 -1.26 -3.50 135.00 128.87 3irv s PRO 207 Ca 0.13 0.87 -0.29 0.00 0.04 0.00 0.00 61.00 61.75 3irv s PRO 207 Cb -0.10 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 3irv s PRO 207 CO 0.06 -1.34 1.58 0.34 0.04 0.00 0.00 177.00 177.67 3irv s ASP 208 N -3.78 6.38 -0.00 6.66 -1.08 -1.26 -4.67 116.67 118.91 3irv s ASP 208 Ca 0.59 1.50 0.16 0.00 -0.52 0.00 0.00 52.55 54.28 3irv s ASP 208 Cb -0.15 -2.53 0.47 0.00 -1.46 0.00 0.00 42.92 39.25 3irv s ASP 208 CO 0.55 -1.28 1.39 1.33 0.52 0.00 0.00 175.17 177.68 3irv n VAL 209 N 6.50 1.02 0.00 1.11 0.24 -1.26 -4.88 118.33 121.05 3irv n VAL 209 Ca 0.18 -1.01 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 3irv n VAL 209 Cb 0.46 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 3irv n VAL 209 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3irv n GLY 210 N 1.03 0.68 0.00 7.63 0.00 -1.26 -5.00 105.19 108.27 3irv n GLY 210 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3irv n GLY 210 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3irv n PHE 211 N 0.00 0.00 0.00 1.61 3.72 -1.26 -5.10 117.46 116.43 3irv n PHE 211 Ca 0.00 -0.48 0.00 0.00 -0.05 0.00 0.00 57.45 56.92 3irv n PHE 211 Cb 0.00 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 3irv n PHE 211 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3irv n GLY 212 N -0.48 1.99 3.76 1.37 0.00 -1.26 -5.01 105.19 105.56 3irv n GLY 212 Ca 0.00 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 3irv n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3irv s ALA 213 N -2.33 2.74 -0.15 4.61 0.00 -1.26 -4.31 121.76 121.06 3irv s ALA 213 Ca 0.00 0.99 -0.02 0.00 0.00 0.00 0.00 51.96 52.93 3irv s ALA 213 Cb 0.00 -3.42 0.05 0.00 0.00 0.00 0.00 23.12 19.74 3irv s ALA 213 CO 0.00 -0.95 0.00 0.08 0.00 0.00 0.00 175.76 174.89 3irv s VAL 214 N -1.58 0.65 0.47 0.00 1.01 -1.23 -4.98 120.40 114.74 3irv s VAL 214 Ca 0.71 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 3irv s VAL 214 Cb -0.30 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3irv s VAL 214 CO 0.34 0.02 0.79 -0.94 0.00 0.00 0.00 175.10 175.30 3irv s SER 215 N 1.83 6.31 0.29 3.32 1.04 -1.26 -0.95 113.70 124.28 3irv s SER 215 Ca 0.01 0.98 0.02 0.00 0.48 0.00 0.00 55.95 57.44 3irv s SER 215 Cb -0.15 -2.27 0.57 0.00 0.10 0.00 0.00 66.02 64.27 3irv s SER 215 CO -0.07 -0.55 1.86 0.00 0.98 0.00 0.00 173.24 175.46 3irv h ALA 216 N 0.42 1.55 -0.88 5.32 0.00 -1.88 -1.13 119.26 122.65 3irv h ALA 216 Ca -0.47 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3irv h ALA 216 Cb 1.20 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3irv h ALA 216 CO 0.62 0.23 0.47 0.00 0.00 0.00 0.00 179.25 180.57 3irv h ALA 217 N 1.53 1.19 -0.27 0.00 0.00 -1.92 0.63 119.26 120.42 3irv h ALA 217 Ca 0.47 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 3irv h ALA 217 Cb 0.44 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3irv h ALA 217 CO -0.23 0.65 -0.27 -0.44 0.00 0.00 0.00 179.25 178.96 3irv h ASP 218 N 1.23 0.70 -0.26 0.00 3.32 -1.74 -1.06 116.42 118.61 3irv h ASP 218 Ca 0.31 -0.47 0.06 0.00 0.02 0.00 0.00 57.03 56.94 3irv h ASP 218 Cb 0.03 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.33 3irv h ASP 218 CO -0.05 1.03 -0.10 0.58 -1.72 0.00 0.00 179.24 178.98 3irv h VAL 219 N 0.38 0.66 -0.22 -1.35 2.07 -0.91 -1.24 116.25 115.64 3irv h VAL 219 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3irv h VAL 219 Cb 0.84 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3irv h VAL 219 CO 0.07 0.00 0.15 -0.61 0.02 0.00 0.00 177.57 177.19 3irv h GLN 220 N -0.05 0.30 -0.30 1.57 5.75 -0.76 0.45 115.11 122.06 3irv h GLN 220 Ca 0.13 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.63 3irv h GLN 220 Cb 0.26 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 3irv h GLN 220 CO -0.30 0.20 0.15 -0.09 -2.65 0.00 0.00 178.83 176.14 3irv h ARG 221 N 0.30 0.30 -0.44 1.69 2.43 -1.00 -0.50 114.38 117.16 3irv h ARG 221 Ca 0.08 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 3irv h ARG 221 Cb -0.03 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3irv h ARG 221 CO -0.02 0.20 -0.15 0.82 -1.51 0.00 0.00 179.97 179.32 3irv h ILE 222 N 0.31 1.27 -0.04 1.20 5.03 -1.05 -2.43 117.51 121.80 3irv h ILE 222 Ca 0.13 -1.28 -0.00 0.00 -0.12 0.00 0.00 64.86 63.59 3irv h ILE 222 Cb 0.04 1.18 -0.00 0.00 -3.03 0.00 0.00 36.82 35.01 3irv h ILE 222 CO -0.09 0.43 0.02 0.28 -0.68 0.00 0.00 178.15 178.11 3irv h SER 223 N 0.70 0.06 -0.54 1.72 0.02 -0.68 -0.94 113.55 113.88 3irv h SER 223 Ca 0.11 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 3irv h SER 223 Cb 0.70 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 3irv h SER 223 CO 0.05 0.22 0.07 -0.07 -1.14 0.00 0.00 176.83 175.96 3irv h LEU 224 N -0.10 0.92 -0.31 5.07 3.38 -1.12 0.10 115.31 123.25 3irv h LEU 224 Ca 0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3irv h LEU 224 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3irv h LEU 224 CO -0.00 0.94 0.10 0.74 0.09 0.00 0.00 178.44 180.31 3irv h THR 225 N 0.90 1.20 -0.34 0.22 2.02 -1.36 -0.43 112.91 115.11 3irv h THR 225 Ca 0.18 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3irv h THR 225 Cb 0.44 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3irv h THR 225 CO 0.01 0.21 0.21 0.74 0.37 0.00 0.00 175.52 177.07 3irv h THR 226 N 0.35 1.11 -0.48 3.16 2.02 -0.80 -0.93 112.91 117.34 3irv h THR 226 Ca 0.10 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.08 3irv h THR 226 Cb 0.23 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3irv h THR 226 CO -0.00 0.10 0.27 0.40 0.37 0.00 0.00 175.52 176.66 3irv h ILE 227 N 0.45 1.03 0.00 3.11 2.04 -0.64 0.18 117.51 123.68 3irv h ILE 227 Ca 0.12 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 3irv h ILE 227 Cb -0.02 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3irv h ILE 227 CO -0.02 0.10 -0.24 0.00 0.00 0.00 0.00 178.15 177.99 3irv h ALA 228 N 1.22 1.38 0.02 1.87 0.00 -0.69 -0.24 119.26 122.82 3irv h ALA 228 Ca 0.19 -0.22 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 3irv h ALA 228 Cb 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3irv h ALA 228 CO -0.10 0.30 -1.77 0.98 0.00 0.00 0.00 179.25 178.66 3irv n TYR 229 N -3.92 1.01 -0.02 0.00 9.36 -0.39 -4.65 117.16 118.56 3irv n TYR 229 Ca -0.02 0.34 -0.02 0.00 3.32 0.00 0.00 57.90 61.52 3irv n TYR 229 Cb 0.32 -1.18 -0.02 0.00 -0.63 0.00 0.00 39.34 37.83 3irv n TYR 229 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3irv n GLU 230 N -3.10 3.02 0.00 2.98 -0.58 0.61 -4.94 120.64 118.63 3irv n GLU 230 Ca -0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 3irv n GLU 230 Cb 1.05 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.84 3irv n GLU 230 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3irv n PHE 231 N -2.19 0.00 0.00 -0.32 3.72 -0.21 -5.04 117.46 113.42 3irv n PHE 231 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3irv n PHE 231 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 3irv n PHE 231 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3irv n GLY 232 N 2.70 -0.77 3.88 1.37 0.00 -0.55 -4.63 105.19 107.20 3irv n GLY 232 Ca 0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3irv n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3irv s GLU 233 N -0.91 3.42 -0.13 1.61 2.12 0.06 -4.33 118.70 120.53 3irv s GLU 233 Ca 0.00 -0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.11 3irv s GLU 233 Cb 0.00 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.25 3irv s GLU 233 CO 0.00 0.73 -0.16 0.08 -0.54 0.00 0.00 175.26 175.37 3irv s VAL 234 N -1.16 2.75 0.35 3.70 1.01 -1.26 -0.22 120.40 125.57 3irv s VAL 234 Ca 0.21 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 3irv s VAL 234 Cb -0.12 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.13 3irv s VAL 234 CO 0.11 0.53 0.51 0.28 0.00 0.00 0.00 175.10 176.53 3irv s THR 235 N 0.46 0.00 0.40 3.92 -1.32 -0.72 -4.96 115.64 113.43 3irv s THR 235 Ca -0.11 -1.54 -0.05 0.00 -1.21 0.00 0.00 61.69 58.78 3irv s THR 235 Cb -0.16 -2.68 -0.04 0.00 -1.51 0.00 0.00 72.50 68.10 3irv s THR 235 CO 0.05 0.00 0.68 0.42 -2.21 0.00 0.00 174.62 173.56 3irv s THR 236 N -2.92 4.96 0.20 5.08 -4.23 -1.26 -0.77 115.64 116.70 3irv s THR 236 Ca 0.29 0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.77 3irv s THR 236 Cb -0.01 -3.82 0.12 0.00 1.34 0.00 0.00 72.50 70.13 3irv s THR 236 CO 0.20 -0.63 1.75 0.74 -0.54 0.00 0.00 174.62 176.14 3irv h THR 237 N 0.69 0.81 -0.63 3.99 2.02 -1.93 -1.25 112.91 116.61 3irv h THR 237 Ca -0.48 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 66.58 3irv h THR 237 Cb 1.20 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 3irv h THR 237 CO 0.63 0.07 0.40 0.00 0.37 0.00 0.00 175.52 177.00 3irv h ALA 238 N 1.38 0.81 -0.47 6.16 0.00 -1.95 -0.71 119.26 124.48 3irv h ALA 238 Ca 0.28 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3irv h ALA 238 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3irv h ALA 238 CO -0.27 0.19 0.09 0.93 0.00 0.00 0.00 179.25 180.19 3irv h GLU 239 N 0.81 0.77 -0.37 0.00 5.08 -1.86 -1.78 114.58 117.24 3irv h GLU 239 Ca 0.24 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 3irv h GLU 239 Cb -0.05 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3irv h GLU 239 CO -0.07 0.77 -0.10 -0.24 -1.00 0.00 0.00 179.01 178.37 3irv h VAL 240 N 0.64 1.24 -0.48 3.13 3.04 -0.80 -1.38 116.25 121.64 3irv h VAL 240 Ca 0.14 -1.07 -0.01 0.00 -1.01 0.00 0.00 66.70 64.76 3irv h VAL 240 Cb 0.36 1.07 -0.02 0.00 -2.01 0.00 0.00 31.29 30.69 3irv h VAL 240 CO 0.01 0.36 0.28 0.40 -1.01 0.00 0.00 177.57 177.60 3irv h ILE 241 N 0.59 1.16 -0.87 3.17 2.04 -0.96 0.01 117.51 122.64 3irv h ILE 241 Ca 0.11 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3irv h ILE 241 Cb 0.52 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3irv h ILE 241 CO 0.03 0.17 0.52 0.03 0.00 0.00 0.00 178.15 178.90 3irv h ARG 242 N 0.64 1.19 -0.24 2.37 3.08 -1.03 0.20 114.38 120.59 3irv h ARG 242 Ca 0.17 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 3irv h ARG 242 Cb 0.03 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3irv h ARG 242 CO -0.03 0.84 -0.38 0.00 -1.07 0.00 0.00 179.97 179.33 3irv h ARG 243 N 1.20 0.53 -0.20 0.04 3.08 -0.94 -0.83 114.38 117.27 3irv h ARG 243 Ca 0.31 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3irv h ARG 243 Cb -0.04 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3irv h ARG 243 CO -0.06 0.83 -0.03 0.82 -1.07 0.00 0.00 179.97 180.46 3irv h ILE 244 N 0.44 1.28 -0.55 2.04 2.04 -0.52 -2.51 117.51 119.74 3irv h ILE 244 Ca 0.04 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 3irv h ILE 244 Cb 0.86 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 3irv h ILE 244 CO 0.07 0.30 0.20 -0.33 0.00 0.00 0.00 178.15 178.39 3irv h GLU 245 N 0.11 0.80 -0.00 2.37 5.08 -0.78 -2.34 114.58 119.82 3irv h GLU 245 Ca 0.05 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.09 3irv h GLU 245 Cb 0.47 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3irv h GLU 245 CO 0.02 0.68 -0.84 0.77 -1.00 0.00 0.00 179.01 178.64 3irv h SER 246 N 0.79 0.22 1.69 1.42 0.02 -1.15 -3.14 113.55 113.40 3irv h SER 246 Ca 0.19 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3irv h SER 246 Cb 0.19 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 3irv h SER 246 CO -0.01 0.96 -0.13 0.00 -1.14 0.00 0.00 176.83 176.50 3irv h ALA 247 N 1.03 0.93 -0.02 3.77 0.00 -1.28 -3.51 119.26 120.17 3irv h ALA 247 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3irv h ALA 247 Cb 1.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3irv h ALA 247 CO 0.13 0.17 0.00 0.98 0.00 0.00 0.00 179.25 180.52