#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ia4 s LEU 2 N 0.00 4.58 0.02 -0.89 1.43 -1.26 -5.05 118.68 117.51 1ia4 s LEU 2 Ca 0.00 1.66 0.03 0.00 -1.03 0.00 0.00 54.13 54.79 1ia4 s LEU 2 Cb 0.00 -3.34 -0.02 0.00 0.03 0.00 0.00 46.19 42.87 1ia4 s LEU 2 CO 0.00 0.16 -0.09 -0.54 0.23 0.00 0.00 176.35 176.11 1ia4 s LYS 3 N -0.93 0.64 0.75 1.70 1.02 -1.26 -5.15 119.74 116.51 1ia4 s LYS 3 Ca 0.37 -0.56 -0.11 0.00 0.02 0.00 0.00 55.97 55.70 1ia4 s LYS 3 Cb -0.23 -0.57 0.04 0.00 -0.52 0.00 0.00 37.83 36.55 1ia4 s LYS 3 CO 0.27 0.14 1.08 -1.25 -0.92 0.00 0.00 175.35 174.66 1ia4 s PRO 4 N -0.91 2.49 -0.43 -1.68 0.04 -1.26 -5.02 135.00 128.23 1ia4 s PRO 4 Ca -0.02 0.80 -0.16 0.00 0.04 0.00 0.00 61.00 61.67 1ia4 s PRO 4 Cb -0.06 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.56 1ia4 s PRO 4 CO 0.00 -1.38 0.35 1.21 0.04 0.00 0.00 177.00 177.23 1ia4 s ASN 5 N -3.84 6.13 -0.04 6.66 2.47 -1.26 -4.99 114.94 120.07 1ia4 s ASN 5 Ca 0.59 -0.98 0.05 0.00 0.42 0.00 0.00 52.86 52.94 1ia4 s ASN 5 Cb -0.14 -2.18 -0.02 0.00 -1.45 0.00 0.00 41.25 37.45 1ia4 s ASN 5 CO 0.55 -0.53 -0.17 -0.69 -3.72 0.00 0.00 177.10 172.54 1ia4 s VAL 6 N 1.76 2.84 0.02 -5.21 1.01 -1.25 0.09 120.40 119.66 1ia4 s VAL 6 Ca 0.06 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1ia4 s VAL 6 Cb -0.20 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1ia4 s VAL 6 CO 0.10 0.59 0.01 0.00 0.00 0.00 0.00 175.10 175.80 1ia4 s ALA 7 N -0.69 0.03 -0.13 5.51 0.00 -0.54 -1.86 121.76 124.08 1ia4 s ALA 7 Ca 0.11 -0.52 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 1ia4 s ALA 7 Cb -0.11 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1ia4 s ALA 7 CO 0.00 -0.19 0.10 0.42 0.00 0.00 0.00 175.76 176.09 1ia4 s ILE 8 N -1.63 5.16 -0.09 0.00 1.01 -0.79 0.05 121.20 124.91 1ia4 s ILE 8 Ca -0.14 0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.63 1ia4 s ILE 8 Cb -0.08 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1ia4 s ILE 8 CO -0.01 0.58 -0.20 -0.51 0.00 0.00 0.00 174.94 174.80 1ia4 s ILE 9 N -0.67 1.76 0.05 2.92 2.07 -0.78 -0.11 121.20 126.45 1ia4 s ILE 9 Ca 0.12 -0.84 -0.18 0.00 -1.41 0.00 0.00 60.65 58.34 1ia4 s ILE 9 Cb -0.12 -1.54 0.04 0.00 0.13 0.00 0.00 42.46 40.97 1ia4 s ILE 9 CO 0.02 0.49 0.42 0.54 -1.91 0.00 0.00 174.94 174.51 1ia4 s VAL 10 N 0.46 0.06 -0.13 4.00 0.11 -0.21 -4.62 120.40 120.06 1ia4 s VAL 10 Ca -0.17 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.43 1ia4 s VAL 10 Cb -0.17 -0.97 0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1ia4 s VAL 10 CO 0.07 -0.25 -0.15 0.00 -3.33 0.00 0.00 175.10 171.44 1ia4 s ALA 11 N -2.59 1.82 0.10 1.54 0.00 -1.26 -0.49 121.76 120.88 1ia4 s ALA 11 Ca -0.05 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1ia4 s ALA 11 Cb -0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 1ia4 s ALA 11 CO -0.03 -0.22 -0.07 0.00 0.00 0.00 0.00 175.76 175.43 1ia4 s ALA 12 N 1.22 1.01 -0.21 0.00 0.00 -0.38 -4.67 121.76 118.72 1ia4 s ALA 12 Ca -0.01 -1.32 -0.11 0.00 0.00 0.00 0.00 51.96 50.52 1ia4 s ALA 12 Cb -0.14 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 1ia4 s ALA 12 CO -0.06 -0.20 0.16 -1.17 0.00 0.00 0.00 175.76 174.49 1ia4 s LEU 13 N -2.95 4.17 0.37 0.00 2.96 -0.18 -1.18 118.68 121.87 1ia4 s LEU 13 Ca 0.11 0.20 -0.24 0.00 -0.22 0.00 0.00 54.13 53.98 1ia4 s LEU 13 Cb 0.04 -2.12 -0.10 0.00 0.50 0.00 0.00 46.19 44.51 1ia4 s LEU 13 CO -0.04 0.12 1.00 -0.54 -1.32 0.00 0.00 176.35 175.57 1ia4 s LYS 14 N 0.68 4.34 0.12 1.98 1.02 -0.04 1.00 119.74 128.84 1ia4 s LYS 14 Ca 0.09 1.40 0.23 0.00 0.02 0.00 0.00 55.97 57.70 1ia4 s LYS 14 Cb -0.12 -2.60 -0.01 0.00 -0.52 0.00 0.00 37.83 34.57 1ia4 s LYS 14 CO 0.01 0.03 0.97 -0.35 -0.92 0.00 0.00 175.35 175.10 1ia4 n PRO 15 N 0.11 0.51 0.21 -1.68 -0.04 -1.26 -4.70 135.00 128.16 1ia4 n PRO 15 Ca 0.04 0.04 0.09 0.00 -0.04 0.00 0.00 63.50 63.63 1ia4 n PRO 15 Cb 0.50 -1.71 0.38 0.00 -0.04 0.00 0.00 33.50 32.63 1ia4 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ia4 h ALA 16 N 2.17 0.97 -2.40 0.55 0.00 -1.98 -3.47 119.26 115.09 1ia4 h ALA 16 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1ia4 h ALA 16 Cb 0.92 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.70 1ia4 h ALA 16 CO 0.00 0.31 -0.14 1.28 0.00 0.00 0.00 179.25 180.69 1ia4 n LEU 17 N -3.34 -2.35 -4.74 0.00 4.77 0.28 -4.65 117.00 106.98 1ia4 n LEU 17 Ca 0.01 -0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.46 1ia4 n LEU 17 Cb 0.48 -1.01 -0.04 0.00 -2.33 0.00 0.00 43.42 40.52 1ia4 n LEU 17 CO 0.34 0.10 0.76 -0.83 -1.33 0.00 0.00 177.39 176.43 1ia4 s GLY 18 N -3.18 2.89 -0.00 -0.72 0.00 -1.09 -1.40 107.32 103.83 1ia4 s GLY 18 Ca 0.05 0.75 0.02 0.00 0.00 0.00 0.00 44.72 45.54 1ia4 s GLY 18 CO 0.14 1.59 0.06 0.29 0.00 0.00 0.00 173.10 175.18 1ia4 n ILE 19 N 2.43 0.00 -3.79 0.90 -5.35 0.01 -1.01 119.36 112.55 1ia4 n ILE 19 Ca 0.02 -0.28 0.01 0.00 -0.27 0.00 0.00 62.75 62.24 1ia4 n ILE 19 Cb 0.47 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 1ia4 n ILE 19 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ia4 s GLY 20 N -1.62 -0.24 -0.21 3.28 0.00 -1.17 -4.53 107.32 102.84 1ia4 s GLY 20 Ca 0.00 0.30 -0.07 0.00 0.00 0.00 0.00 44.72 44.95 1ia4 s GLY 20 CO 0.07 2.28 0.45 -0.47 0.00 0.00 0.00 173.10 175.43 1ia4 s TYR 21 N -2.31 -0.87 -1.57 1.90 5.04 0.21 -2.32 117.35 117.42 1ia4 s TYR 21 Ca 0.20 1.60 -0.04 0.00 -2.44 0.00 0.00 57.07 56.39 1ia4 s TYR 21 Cb 0.02 0.36 0.01 0.00 0.35 0.00 0.00 41.96 42.69 1ia4 s TYR 21 CO -0.01 -0.52 0.50 1.63 -1.34 0.00 0.00 175.55 175.81 1ia4 n LYS 22 N 5.40 -4.29 -1.00 4.97 4.01 -1.26 -2.38 118.16 123.61 1ia4 n LYS 22 Ca -0.09 0.90 0.00 0.00 -0.51 0.00 0.00 58.31 58.61 1ia4 n LYS 22 Cb 0.49 -5.72 0.00 0.00 -0.51 0.00 0.00 35.03 29.29 1ia4 n LYS 22 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ia4 n GLY 23 N -1.42 0.48 3.21 0.72 0.00 -1.26 -5.04 105.19 101.88 1ia4 n GLY 23 Ca -0.13 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 1ia4 n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ia4 s LYS 24 N -0.36 0.95 0.11 1.61 2.20 -1.00 -5.07 119.74 118.18 1ia4 s LYS 24 Ca 0.00 -1.29 -0.30 0.00 -0.36 0.00 0.00 55.97 54.03 1ia4 s LYS 24 Cb 0.00 -0.61 -0.06 0.00 -1.51 0.00 0.00 37.83 35.65 1ia4 s LYS 24 CO 0.00 0.09 0.95 -1.64 -0.36 0.00 0.00 175.35 174.39 1ia4 s MET 25 N -3.16 4.70 0.00 4.03 -1.94 -1.26 -0.62 119.30 121.05 1ia4 s MET 25 Ca 0.10 1.44 0.06 0.00 -1.71 0.00 0.00 55.69 55.59 1ia4 s MET 25 Cb -0.01 -3.37 0.38 0.00 2.01 0.00 0.00 34.83 33.84 1ia4 s MET 25 CO 0.01 0.23 0.85 -0.35 -0.01 0.00 0.00 175.02 175.75 1ia4 n PRO 26 N 2.72 0.52 -4.19 2.03 -0.04 -1.26 -4.78 135.00 130.00 1ia4 n PRO 26 Ca 0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.37 1ia4 n PRO 26 Cb 0.49 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.66 1ia4 n PRO 26 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1ia4 s TRP 27 N -2.00 0.96 -0.35 0.54 -2.14 -1.26 -5.02 118.94 109.68 1ia4 s TRP 27 Ca 0.10 -0.93 0.00 0.00 2.66 0.00 0.00 56.10 57.93 1ia4 s TRP 27 Cb 0.04 -0.55 0.11 0.00 -3.10 0.00 0.00 33.47 29.97 1ia4 s TRP 27 CO 0.07 -0.15 0.13 0.50 -2.66 0.00 0.00 176.95 174.85 1ia4 s ARG 28 N -3.84 0.91 -0.34 3.25 3.52 -1.26 -5.09 118.95 116.10 1ia4 s ARG 28 Ca 0.14 -1.38 -0.07 0.00 -0.13 0.00 0.00 55.73 54.30 1ia4 s ARG 28 Cb 0.05 -2.14 0.04 0.00 -1.56 0.00 0.00 34.95 31.34 1ia4 s ARG 28 CO -0.03 -1.04 0.11 -0.51 -0.81 0.00 0.00 175.30 173.02 1ia4 s LEU 29 N 1.22 4.34 0.07 -0.88 1.43 -1.26 -5.00 118.68 118.61 1ia4 s LEU 29 Ca 0.12 -1.15 -0.24 0.00 -1.03 0.00 0.00 54.13 51.84 1ia4 s LEU 29 Cb -0.19 -1.87 -0.16 0.00 0.03 0.00 0.00 46.19 43.99 1ia4 s LEU 29 CO -0.16 -0.33 1.67 0.03 0.23 0.00 0.00 176.35 177.78 1ia4 h ARG 30 N 8.23 -0.04 -0.13 1.70 3.08 -2.00 -1.30 114.38 123.92 1ia4 h ARG 30 Ca -0.23 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.72 1ia4 h ARG 30 Cb 1.08 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1ia4 h ARG 30 CO 0.61 0.04 -0.37 0.87 -1.07 0.00 0.00 179.97 180.04 1ia4 h LYS 31 N -0.11 0.26 -0.36 0.04 1.57 -1.99 -2.71 116.57 113.27 1ia4 h LYS 31 Ca -0.00 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 1ia4 h LYS 31 Cb 0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1ia4 h LYS 31 CO 0.01 0.60 -0.27 1.49 -0.57 0.00 0.00 179.45 180.71 1ia4 h GLU 32 N 0.23 0.73 -0.01 3.15 4.22 -1.89 0.96 114.58 121.97 1ia4 h GLU 32 Ca 0.02 -0.31 -0.08 0.00 0.08 0.00 0.00 59.36 59.07 1ia4 h GLU 32 Cb 0.76 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1ia4 h GLU 32 CO 0.06 0.92 -0.39 0.82 -2.18 0.00 0.00 179.01 178.24 1ia4 h ILE 33 N 0.63 1.28 -0.13 2.32 2.04 -1.08 -1.19 117.51 121.38 1ia4 h ILE 33 Ca 0.08 -1.36 -0.19 0.00 1.00 0.00 0.00 64.86 64.40 1ia4 h ILE 33 Cb 0.78 1.72 0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1ia4 h ILE 33 CO 0.06 0.39 -0.65 -0.09 0.00 0.00 0.00 178.15 177.86 1ia4 h ARG 34 N 0.01 0.68 -0.54 2.37 9.65 -1.08 -2.16 114.38 123.32 1ia4 h ARG 34 Ca -0.00 -0.55 0.03 0.00 -1.10 0.00 0.00 59.98 58.35 1ia4 h ARG 34 Cb 0.70 0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.36 1ia4 h ARG 34 CO 0.05 1.17 0.32 -0.92 2.80 0.00 0.00 179.97 183.38 1ia4 h TYR 35 N 0.36 0.59 -0.15 2.20 5.03 -0.35 -1.09 116.97 123.56 1ia4 h TYR 35 Ca -0.04 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.33 1ia4 h TYR 35 Cb 1.29 -0.19 -0.06 0.00 1.55 0.00 0.00 36.73 39.32 1ia4 h TYR 35 CO 0.10 0.33 -0.25 0.35 -1.32 0.00 0.00 178.16 177.37 1ia4 h PHE 36 N 0.63 -0.66 0.12 -3.82 3.04 -1.13 0.74 116.94 115.85 1ia4 h PHE 36 Ca 0.22 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.21 1ia4 h PHE 36 Cb 0.04 0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 1ia4 h PHE 36 CO -0.07 -0.33 -0.13 -0.22 -2.02 0.00 0.00 178.31 175.54 1ia4 h LYS 37 N -0.30 -0.27 -0.13 1.11 3.64 -1.16 -0.80 116.57 118.66 1ia4 h LYS 37 Ca 0.11 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1ia4 h LYS 37 Cb 0.46 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1ia4 h LYS 37 CO -0.32 -0.18 0.04 -0.44 -2.27 0.00 0.00 179.45 176.27 1ia4 h ASP 38 N -0.28 0.04 -0.40 4.20 3.45 -1.03 -2.06 116.42 120.33 1ia4 h ASP 38 Ca 0.01 0.01 -0.12 0.00 0.43 0.00 0.00 57.03 57.37 1ia4 h ASP 38 Cb 0.28 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 1ia4 h ASP 38 CO -0.05 0.04 -0.21 0.58 -1.57 0.00 0.00 179.24 178.04 1ia4 h VAL 39 N 0.10 1.28 0.00 -1.35 2.07 -0.82 -0.63 116.25 116.90 1ia4 h VAL 39 Ca 0.05 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1ia4 h VAL 39 Cb 0.04 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1ia4 h VAL 39 CO -0.06 0.45 0.00 0.71 0.02 0.00 0.00 177.57 178.69 1ia4 h THR 40 N 0.66 0.00 0.05 2.57 1.35 -1.13 -3.31 112.91 113.09 1ia4 h THR 40 Ca 0.09 -0.54 -0.36 0.00 -0.55 0.00 0.00 66.41 65.05 1ia4 h THR 40 Cb 0.77 1.49 -0.05 0.00 -1.73 0.00 0.00 68.15 68.63 1ia4 h THR 40 CO 0.06 0.00 -2.13 0.41 -0.25 0.00 0.00 175.52 173.62 1ia4 n THR 41 N -2.85 1.62 -1.77 6.82 -1.04 -0.78 -4.58 114.28 111.69 1ia4 n THR 41 Ca 0.02 -0.69 -0.41 0.00 -2.04 0.00 0.00 64.05 60.93 1ia4 n THR 41 Cb 0.34 -1.34 -0.01 0.00 -1.82 0.00 0.00 70.33 67.51 1ia4 n THR 41 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1ia4 s ARG 42 N -2.55 4.11 0.19 -2.82 3.52 -0.26 -4.64 118.95 116.50 1ia4 s ARG 42 Ca -0.21 2.59 0.03 0.00 -0.13 0.00 0.00 55.73 58.01 1ia4 s ARG 42 Cb 0.07 -3.00 -0.05 0.00 -1.56 0.00 0.00 34.95 30.42 1ia4 s ARG 42 CO 0.74 -0.61 -0.01 0.95 -0.81 0.00 0.00 175.30 175.56 1ia4 s THR 43 N -0.43 0.84 0.08 4.11 -4.23 -1.26 -4.87 115.64 109.88 1ia4 s THR 43 Ca 0.59 -2.01 0.17 0.00 -1.18 0.00 0.00 61.69 59.27 1ia4 s THR 43 Cb -0.48 -2.17 0.10 0.00 1.34 0.00 0.00 72.50 71.29 1ia4 s THR 43 CO 0.54 -0.45 1.63 0.71 -0.54 0.00 0.00 174.62 176.52 1ia4 h THR 44 N 2.63 0.93 -4.01 3.99 1.35 -1.96 -3.45 112.91 112.38 1ia4 h THR 44 Ca -0.37 -1.81 -0.19 0.00 -0.55 0.00 0.00 66.41 63.49 1ia4 h THR 44 Cb 1.21 2.11 -0.20 0.00 -1.73 0.00 0.00 68.15 69.54 1ia4 h THR 44 CO 0.63 0.44 -0.70 -1.59 -0.25 0.00 0.00 175.52 174.04 1ia4 s LYS 45 N -3.39 0.44 0.76 4.72 -2.85 -1.26 -5.15 119.74 113.02 1ia4 s LYS 45 Ca 0.01 -0.78 -0.14 0.00 -1.00 0.00 0.00 55.97 54.06 1ia4 s LYS 45 Cb 0.10 0.01 0.06 0.00 -2.06 0.00 0.00 37.83 35.94 1ia4 s LYS 45 CO 0.71 -0.03 1.18 -2.14 0.10 0.00 0.00 175.35 175.16 1ia4 s PRO 46 N -2.01 1.99 -1.24 1.78 0.02 -1.26 -3.44 135.00 130.84 1ia4 s PRO 46 Ca -0.09 1.63 -0.02 0.00 0.02 0.00 0.00 61.00 62.54 1ia4 s PRO 46 Cb -0.06 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.63 1ia4 s PRO 46 CO -0.02 -1.92 0.21 0.09 -0.33 0.00 0.00 177.00 175.02 1ia4 n ASN 47 N -3.06 -4.77 -4.25 2.53 3.02 -1.26 -5.01 115.26 102.46 1ia4 n ASN 47 Ca 0.12 -0.10 -0.14 0.00 -0.03 0.00 0.00 54.58 54.43 1ia4 n ASN 47 Cb 0.51 -3.78 -0.10 0.00 -0.61 0.00 0.00 39.78 35.80 1ia4 n ASN 47 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ia4 s THR 48 N -2.88 0.65 0.23 3.41 -4.23 -1.22 -5.18 115.64 106.41 1ia4 s THR 48 Ca 0.10 -1.98 -0.13 0.00 -1.18 0.00 0.00 61.69 58.50 1ia4 s THR 48 Cb -0.05 -2.20 -0.00 0.00 1.34 0.00 0.00 72.50 71.60 1ia4 s THR 48 CO 0.13 -0.40 0.46 0.00 -0.54 0.00 0.00 174.62 174.26 1ia4 s ARG 49 N -3.94 1.47 0.46 3.99 1.70 -1.26 -4.91 118.95 116.46 1ia4 s ARG 49 Ca 0.26 -1.19 0.07 0.00 -0.47 0.00 0.00 55.73 54.41 1ia4 s ARG 49 Cb 0.06 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.91 1ia4 s ARG 49 CO 0.05 -0.60 0.44 -0.80 -1.08 0.00 0.00 175.30 173.31 1ia4 s ASN 50 N -2.99 5.02 0.18 -2.89 0.01 -1.26 -1.19 114.94 111.82 1ia4 s ASN 50 Ca 0.20 -0.83 0.09 0.00 -0.71 0.00 0.00 52.86 51.61 1ia4 s ASN 50 Cb -0.00 -0.31 -0.04 0.00 0.41 0.00 0.00 41.25 41.31 1ia4 s ASN 50 CO 0.06 -0.82 -0.11 0.00 -1.51 0.00 0.00 177.10 174.73 1ia4 s ALA 51 N -2.54 2.91 -0.11 0.60 0.00 -0.50 -1.53 121.76 120.59 1ia4 s ALA 51 Ca 0.47 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1ia4 s ALA 51 Cb -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.38 1ia4 s ALA 51 CO 0.28 0.47 -0.16 0.14 0.00 0.00 0.00 175.76 176.49 1ia4 s VAL 52 N -1.66 1.55 -0.14 0.00 -7.23 -0.11 -1.25 120.40 111.55 1ia4 s VAL 52 Ca 0.24 -0.68 -0.03 0.00 -1.81 0.00 0.00 61.98 59.70 1ia4 s VAL 52 Cb -0.09 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 1ia4 s VAL 52 CO 0.15 0.45 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.73 1ia4 s ILE 53 N 0.89 3.99 0.08 -0.62 1.01 0.32 0.06 121.20 126.93 1ia4 s ILE 53 Ca -0.08 -0.33 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 1ia4 s ILE 53 Cb -0.15 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.59 1ia4 s ILE 53 CO -0.00 0.52 0.21 0.00 0.00 0.00 0.00 174.94 175.67 1ia4 s MET 54 N 0.06 0.84 0.54 2.79 0.23 -0.91 -1.13 119.30 121.72 1ia4 s MET 54 Ca 0.00 -0.87 -0.07 0.00 -1.03 0.00 0.00 55.69 53.73 1ia4 s MET 54 Cb -0.13 0.35 -0.03 0.00 -1.53 0.00 0.00 34.83 33.48 1ia4 s MET 54 CO 0.02 -0.27 0.87 0.20 -2.03 0.00 0.00 175.02 173.82 1ia4 s GLY 55 N -2.70 1.56 0.20 3.16 0.00 -0.78 -1.05 107.32 107.70 1ia4 s GLY 55 Ca 0.03 -0.40 -0.11 0.00 0.00 0.00 0.00 44.72 44.24 1ia4 s GLY 55 CO -0.10 -0.19 1.79 -0.09 0.00 0.00 0.00 173.10 174.52 1ia4 h ARG 56 N 0.01 0.56 -0.42 2.90 2.43 -1.59 -2.13 114.38 116.13 1ia4 h ARG 56 Ca -0.46 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.64 1ia4 h ARG 56 Cb 1.21 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1ia4 h ARG 56 CO 0.62 0.37 0.12 0.87 -1.51 0.00 0.00 179.97 180.44 1ia4 h LYS 57 N 0.58 0.62 -0.18 0.20 1.57 -1.94 -1.36 116.57 116.06 1ia4 h LYS 57 Ca 0.27 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1ia4 h LYS 57 Cb 0.19 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1ia4 h LYS 57 CO -0.19 0.55 -0.29 1.15 -0.57 0.00 0.00 179.45 180.10 1ia4 h THR 58 N 0.61 1.34 -0.16 -0.16 2.02 -1.79 -2.80 112.91 111.98 1ia4 h THR 58 Ca 0.14 -1.52 0.05 0.00 0.77 0.00 0.00 66.41 65.85 1ia4 h THR 58 Cb 0.20 1.89 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 1ia4 h THR 58 CO -0.01 0.46 -0.16 -0.25 0.37 0.00 0.00 175.52 175.93 1ia4 h TRP 59 N 0.16 -0.41 0.00 3.16 2.91 -1.10 -1.08 115.95 119.59 1ia4 h TRP 59 Ca 0.01 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1ia4 h TRP 59 Cb 0.87 0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.73 1ia4 h TRP 59 CO 0.09 -0.23 0.00 0.93 -1.03 0.00 0.00 178.44 178.20 1ia4 h GLU 60 N -0.19 0.00 -0.00 2.65 5.08 -1.28 -1.88 114.58 118.96 1ia4 h GLU 60 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1ia4 h GLU 60 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1ia4 h GLU 60 CO -0.27 0.00 -0.03 -1.13 -1.00 0.00 0.00 179.01 176.59 1ia4 n SER 61 N -2.97 0.39 -4.68 1.42 3.41 -0.41 -4.72 113.62 106.05 1ia4 n SER 61 Ca -0.02 -0.90 -0.36 0.00 -0.26 0.00 0.00 58.87 57.33 1ia4 n SER 61 Cb 0.13 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 63.94 1ia4 n SER 61 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ia4 s ILE 62 N -2.18 5.34 0.26 -1.33 1.01 -0.71 -5.05 121.20 118.55 1ia4 s ILE 62 Ca 0.39 0.30 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 1ia4 s ILE 62 Cb 0.21 -3.54 -0.13 0.00 0.01 0.00 0.00 42.46 39.01 1ia4 s ILE 62 CO 0.40 0.36 1.34 -2.65 0.00 0.00 0.00 174.94 174.38 1ia4 n PRO 63 N 4.08 1.94 0.10 2.79 -0.02 -1.26 -4.78 135.00 137.84 1ia4 n PRO 63 Ca -0.14 0.69 0.20 0.00 -2.02 0.00 0.00 63.50 62.23 1ia4 n PRO 63 Cb 0.52 -2.30 0.74 0.00 -0.02 0.00 0.00 33.50 32.44 1ia4 n PRO 63 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1ia4 h GLN 64 N 3.68 0.00 0.00 -0.52 3.07 -1.93 0.99 115.11 120.40 1ia4 h GLN 64 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1ia4 h GLN 64 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 1ia4 h GLN 64 CO 0.72 0.00 0.00 1.57 0.09 0.00 0.00 178.83 181.21 1ia4 h LYS 65 N 0.00 0.00 -0.16 0.06 -0.00 -2.02 -3.13 116.57 111.32 1ia4 h LYS 65 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.84 1ia4 h LYS 65 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.32 1ia4 h LYS 65 CO -0.00 0.00 0.00 1.19 -0.00 0.00 0.00 179.45 180.64 1ia4 n PHE 66 N -2.60 0.19 -4.55 0.07 3.72 0.34 -4.91 117.46 109.72 1ia4 n PHE 66 Ca 0.05 -0.09 -0.30 0.00 -0.05 0.00 0.00 57.45 57.05 1ia4 n PHE 66 Cb 0.45 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.87 1ia4 n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1ia4 s ARG 67 N -1.81 1.90 0.75 -1.08 1.70 -1.18 -4.13 118.95 115.10 1ia4 s ARG 67 Ca 0.34 -1.09 -0.11 0.00 -0.47 0.00 0.00 55.73 54.40 1ia4 s ARG 67 Cb 0.21 -2.12 0.04 0.00 -0.57 0.00 0.00 34.95 32.51 1ia4 s ARG 67 CO 0.30 0.51 1.10 -1.25 -1.08 0.00 0.00 175.30 174.88 1ia4 s PRO 68 N -1.70 2.46 0.15 3.89 0.04 -1.26 -4.98 135.00 133.61 1ia4 s PRO 68 Ca 0.15 0.57 -0.31 0.00 0.04 0.00 0.00 61.00 61.45 1ia4 s PRO 68 Cb -0.10 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 1ia4 s PRO 68 CO 0.07 -1.34 1.61 -0.51 0.04 0.00 0.00 177.00 176.86 1ia4 s LEU 69 N -5.58 4.37 0.58 -3.56 1.43 -1.26 -4.89 118.68 109.77 1ia4 s LEU 69 Ca 0.59 2.62 -0.20 0.00 -1.03 0.00 0.00 54.13 56.11 1ia4 s LEU 69 Cb -0.13 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1ia4 s LEU 69 CO 0.53 -0.86 1.31 -2.84 0.23 0.00 0.00 176.35 174.73 1ia4 s PRO 70 N 1.50 2.96 -0.16 1.29 0.02 -1.26 -3.80 135.00 135.55 1ia4 s PRO 70 Ca 0.72 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.86 1ia4 s PRO 70 Cb -0.44 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 31.99 1ia4 s PRO 70 CO 0.32 -1.30 0.00 -0.25 -0.33 0.00 0.00 177.00 175.44 1ia4 n ASP 71 N -1.35 -3.93 -3.99 2.53 10.43 -1.26 -4.98 116.55 114.01 1ia4 n ASP 71 Ca 0.12 0.04 -0.09 0.00 2.57 0.00 0.00 54.79 57.43 1ia4 n ASP 71 Cb 0.47 -1.56 -0.10 0.00 1.84 0.00 0.00 41.12 41.76 1ia4 n ASP 71 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1ia4 s ARG 72 N -1.07 0.46 -0.13 -1.24 0.52 -1.25 -4.47 118.95 111.78 1ia4 s ARG 72 Ca 0.00 -0.78 -0.27 0.00 -0.52 0.00 0.00 55.73 54.16 1ia4 s ARG 72 Cb 0.00 0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.63 1ia4 s ARG 72 CO 0.00 -0.09 0.90 -1.17 0.02 0.00 0.00 175.30 174.96 1ia4 s LEU 73 N -1.97 4.22 -0.27 2.53 2.96 -0.58 -4.80 118.68 120.78 1ia4 s LEU 73 Ca -0.08 1.35 -0.11 0.00 -0.22 0.00 0.00 54.13 55.07 1ia4 s LEU 73 Cb -0.03 -3.37 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 1ia4 s LEU 73 CO -0.04 -0.40 0.18 0.20 -1.32 0.00 0.00 176.35 174.98 1ia4 s ASN 74 N 1.10 6.05 -0.11 3.68 0.02 -0.10 -0.93 114.94 124.66 1ia4 s ASN 74 Ca 0.43 0.03 -0.01 0.00 -1.02 0.00 0.00 52.86 52.29 1ia4 s ASN 74 Cb -0.17 -2.12 -0.03 0.00 0.02 0.00 0.00 41.25 38.95 1ia4 s ASN 74 CO 0.16 -0.01 -0.06 -0.63 0.02 0.00 0.00 177.10 176.57 1ia4 s ILE 75 N 1.54 3.76 -0.07 0.60 1.01 0.11 -1.30 121.20 126.86 1ia4 s ILE 75 Ca 0.07 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.33 1ia4 s ILE 75 Cb -0.15 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.73 1ia4 s ILE 75 CO 0.09 0.56 -0.20 -0.63 0.00 0.00 0.00 174.94 174.75 1ia4 s ILE 76 N -0.31 1.72 -0.16 2.92 1.09 -0.36 -2.14 121.20 123.95 1ia4 s ILE 76 Ca 0.05 -0.85 -0.09 0.00 -1.10 0.00 0.00 60.65 58.66 1ia4 s ILE 76 Cb -0.13 -1.49 -0.05 0.00 -1.06 0.00 0.00 42.46 39.74 1ia4 s ILE 76 CO 0.02 0.49 0.14 -0.76 -0.10 0.00 0.00 174.94 174.73 1ia4 s LEU 77 N 0.19 4.29 -0.13 2.97 1.43 -0.21 -0.73 118.68 126.48 1ia4 s LEU 77 Ca -0.10 0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 53.20 1ia4 s LEU 77 Cb -0.15 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.02 1ia4 s LEU 77 CO 0.05 0.28 0.39 -0.55 0.23 0.00 0.00 176.35 176.74 1ia4 s SER 78 N -0.23 -0.39 0.00 2.29 0.15 -1.02 -1.38 113.70 113.11 1ia4 s SER 78 Ca 0.11 0.72 0.24 0.00 0.70 0.00 0.00 55.95 57.72 1ia4 s SER 78 Cb -0.11 0.75 1.23 0.00 -1.71 0.00 0.00 66.02 66.17 1ia4 s SER 78 CO 0.01 -0.17 1.80 0.54 1.20 0.00 0.00 173.24 176.62 1ia4 n ARG 79 N 2.69 0.36 0.00 5.44 1.74 -1.26 -2.67 116.66 122.97 1ia4 n ARG 79 Ca -0.14 0.06 0.11 0.00 -0.77 0.00 0.00 57.85 57.10 1ia4 n ARG 79 Cb 0.57 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.49 1ia4 n ARG 79 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ia4 n SER 80 N -1.28 1.87 -4.91 0.55 7.64 -1.26 -4.97 113.62 111.26 1ia4 n SER 80 Ca 0.12 -1.43 -0.27 0.00 1.01 0.00 0.00 58.87 58.29 1ia4 n SER 80 Cb 0.19 0.55 0.03 0.00 -1.01 0.00 0.00 64.21 63.96 1ia4 n SER 80 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ia4 s TYR 81 N -2.51 3.34 0.17 1.43 2.02 -1.09 -5.09 117.35 115.62 1ia4 s TYR 81 Ca 0.17 0.74 0.05 0.00 -0.37 0.00 0.00 57.07 57.66 1ia4 s TYR 81 Cb 0.17 -2.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 1ia4 s TYR 81 CO 0.60 -0.75 0.17 -1.21 -1.57 0.00 0.00 175.55 172.80 1ia4 s GLU 82 N -4.99 3.01 0.08 -0.62 0.41 -1.26 -4.46 118.70 110.87 1ia4 s GLU 82 Ca 0.53 -0.84 -0.31 0.00 -0.41 0.00 0.00 54.97 53.95 1ia4 s GLU 82 Cb -0.11 -2.70 -0.08 0.00 -1.78 0.00 0.00 34.13 29.46 1ia4 s GLU 82 CO 0.46 0.48 1.61 -0.80 -0.49 0.00 0.00 175.26 176.52 1ia4 s ASN 83 N -3.21 6.63 -0.21 -0.19 0.02 -1.26 -4.52 114.94 112.20 1ia4 s ASN 83 Ca 0.32 2.47 -0.15 0.00 -1.02 0.00 0.00 52.86 54.48 1ia4 s ASN 83 Cb -0.10 -2.57 0.06 0.00 0.02 0.00 0.00 41.25 38.66 1ia4 s ASN 83 CO 0.25 -0.86 0.53 -0.70 0.02 0.00 0.00 177.10 176.34 1ia4 s GLU 84 N 2.33 0.56 -0.30 -0.60 2.12 -0.51 -5.00 118.70 117.30 1ia4 s GLU 84 Ca 0.72 0.86 -0.19 0.00 0.36 0.00 0.00 54.97 56.72 1ia4 s GLU 84 Cb -0.40 0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.14 1ia4 s GLU 84 CO 0.32 -0.12 0.58 0.42 -0.54 0.00 0.00 175.26 175.92 1ia4 s ILE 85 N 0.96 4.99 -0.14 -3.70 1.01 -1.26 -0.25 121.20 122.81 1ia4 s ILE 85 Ca -0.05 0.80 -0.27 0.00 0.00 0.00 0.00 60.65 61.12 1ia4 s ILE 85 Cb -0.06 -3.94 -0.26 0.00 0.01 0.00 0.00 42.46 38.21 1ia4 s ILE 85 CO -0.08 -0.08 0.73 0.40 0.00 0.00 0.00 174.94 175.90 1ia4 h ILE 86 N 5.51 1.68 -1.55 2.92 2.04 -1.43 -3.49 117.51 123.18 1ia4 h ILE 86 Ca -0.27 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.23 1ia4 h ILE 86 Cb 1.13 3.26 0.00 0.00 -0.74 0.00 0.00 36.82 40.47 1ia4 h ILE 86 CO 0.77 0.59 0.00 -0.90 0.00 0.00 0.00 178.15 178.61 1ia4 n ASP 87 N -4.54 0.00 0.28 1.72 3.85 -1.12 -5.01 116.55 111.73 1ia4 n ASP 87 Ca -0.13 -0.55 0.17 0.00 -0.71 0.00 0.00 54.79 53.57 1ia4 n ASP 87 Cb 0.54 0.00 0.74 0.00 -1.35 0.00 0.00 41.12 41.05 1ia4 n ASP 87 CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.20 175.41 1ia4 h ASP 88 N 0.00 0.00 0.00 -1.12 -0.00 -2.03 -3.17 116.42 110.10 1ia4 h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ia4 h ASP 88 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1ia4 h ASP 88 CO 0.00 0.02 -0.56 0.59 -0.00 0.00 0.00 179.24 179.29 1ia4 n ASN 89 N -3.12 0.59 -3.99 2.28 5.03 -1.26 -4.87 115.26 109.91 1ia4 n ASN 89 Ca 0.00 -0.74 -0.22 0.00 0.87 0.00 0.00 54.58 54.48 1ia4 n ASN 89 Cb 0.28 1.02 -0.16 0.00 -1.02 0.00 0.00 39.78 39.90 1ia4 n ASN 89 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ia4 s ILE 90 N -2.09 0.91 0.03 2.41 1.01 -1.20 -0.92 121.20 121.35 1ia4 s ILE 90 Ca 0.04 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.37 1ia4 s ILE 90 Cb 0.08 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 1ia4 s ILE 90 CO 0.46 0.30 -0.14 -0.63 0.00 0.00 0.00 174.94 174.93 1ia4 s ILE 91 N 0.60 1.08 -0.15 2.92 1.01 -0.42 -0.98 121.20 125.26 1ia4 s ILE 91 Ca -0.11 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.60 1ia4 s ILE 91 Cb -0.14 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 1ia4 s ILE 91 CO 0.02 0.08 0.05 -1.00 0.00 0.00 0.00 174.94 174.09 1ia4 s HIS 92 N -0.70 3.27 0.00 3.97 3.76 0.65 -1.22 115.29 125.01 1ia4 s HIS 92 Ca 0.02 0.14 0.05 0.00 -0.15 0.00 0.00 55.06 55.13 1ia4 s HIS 92 Cb -0.07 -1.98 -0.02 0.00 1.11 0.00 0.00 32.58 31.62 1ia4 s HIS 92 CO 0.01 0.30 -0.17 0.00 -0.85 0.00 0.00 174.74 174.03 1ia4 s ALA 93 N -0.13 1.43 -1.83 -1.40 0.00 0.09 -1.43 121.76 118.49 1ia4 s ALA 93 Ca 0.07 -0.80 0.24 0.00 0.00 0.00 0.00 51.96 51.47 1ia4 s ALA 93 Cb -0.12 -0.33 0.20 0.00 0.00 0.00 0.00 23.12 22.87 1ia4 s ALA 93 CO 0.01 0.33 1.21 -1.13 0.00 0.00 0.00 175.76 176.19 1ia4 n SER 94 N 2.42 1.61 -3.57 0.00 3.41 -1.26 -2.45 113.62 113.77 1ia4 n SER 94 Ca -0.16 -1.26 -0.11 0.00 -0.26 0.00 0.00 58.87 57.09 1ia4 n SER 94 Cb 0.54 0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 64.88 1ia4 n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ia4 s SER 95 N -2.55 -0.35 0.19 4.04 1.04 -1.26 -4.61 113.70 110.20 1ia4 s SER 95 Ca 0.19 -0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.27 1ia4 s SER 95 Cb 0.18 0.53 0.14 0.00 0.10 0.00 0.00 66.02 66.97 1ia4 s SER 95 CO 0.59 -0.92 1.84 0.40 0.98 0.00 0.00 173.24 176.14 1ia4 h ILE 96 N 2.22 1.10 -0.86 -1.02 2.04 -1.99 -1.40 117.51 117.60 1ia4 h ILE 96 Ca -0.33 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.26 1ia4 h ILE 96 Cb 1.27 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1ia4 h ILE 96 CO 0.43 0.15 0.57 -0.33 0.00 0.00 0.00 178.15 178.96 1ia4 h GLU 97 N 0.80 1.14 -0.17 2.37 3.07 -1.99 -2.03 114.58 117.76 1ia4 h GLU 97 Ca 0.25 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.02 1ia4 h GLU 97 Cb -0.02 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.63 1ia4 h GLU 97 CO -0.09 0.76 0.04 0.77 -1.40 0.00 0.00 179.01 179.09 1ia4 h SER 98 N 1.17 0.26 -0.75 1.42 0.02 -1.90 -2.90 113.55 110.87 1ia4 h SER 98 Ca 0.31 -0.23 0.16 0.00 -0.84 0.00 0.00 61.79 61.19 1ia4 h SER 98 Cb -0.13 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.29 1ia4 h SER 98 CO -0.07 0.42 0.51 0.77 -1.14 0.00 0.00 176.83 177.32 1ia4 h SER 99 N 0.09 0.35 0.55 3.07 4.64 -0.86 0.16 113.55 121.55 1ia4 h SER 99 Ca 0.05 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1ia4 h SER 99 Cb 0.26 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1ia4 h SER 99 CO 0.00 0.18 -0.09 0.18 -0.87 0.00 0.00 176.83 176.23 1ia4 n LEU 100 N -4.47 0.24 -0.87 5.97 4.77 -0.80 -2.53 117.00 119.31 1ia4 n LEU 100 Ca 0.15 0.18 0.12 0.00 -0.03 0.00 0.00 56.01 56.43 1ia4 n LEU 100 Cb 0.56 -0.28 0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1ia4 n LEU 100 CO 0.33 0.05 0.57 0.59 -1.33 0.00 0.00 177.39 177.60 1ia4 n ASN 101 N -1.21 2.81 -1.18 -1.43 5.03 0.50 -4.47 115.26 115.32 1ia4 n ASN 101 Ca 0.12 -1.90 -0.03 0.00 0.87 0.00 0.00 54.58 53.64 1ia4 n ASN 101 Cb 0.28 0.08 0.21 0.00 -1.02 0.00 0.00 39.78 39.33 1ia4 n ASN 101 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1ia4 n LEU 102 N 1.11 4.28 -1.47 3.41 4.77 -0.92 -4.65 117.00 123.53 1ia4 n LEU 102 Ca 0.13 -3.58 -0.04 0.00 -0.03 0.00 0.00 56.01 52.49 1ia4 n LEU 102 Cb 0.57 -0.63 0.10 0.00 -2.33 0.00 0.00 43.42 41.13 1ia4 n LEU 102 CO 0.17 1.10 0.20 1.33 -1.33 0.00 0.00 177.39 178.86 1ia4 n VAL 103 N -0.98 1.78 0.27 4.08 0.24 -1.26 -4.83 118.33 117.63 1ia4 n VAL 103 Ca 0.32 -3.08 0.16 0.00 -2.04 0.00 0.00 64.34 59.70 1ia4 n VAL 103 Cb 1.05 -0.07 0.57 0.00 -1.47 0.00 0.00 33.84 33.92 1ia4 n VAL 103 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1ia4 h SER 104 N 1.55 0.00 -0.61 -1.34 4.64 -1.91 -3.21 113.55 112.67 1ia4 h SER 104 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1ia4 h SER 104 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1ia4 h SER 104 CO 0.26 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.69 1ia4 n ASP 105 N -3.09 4.15 -4.61 4.97 8.00 -1.26 -5.00 116.55 119.70 1ia4 n ASP 105 Ca 0.01 -2.25 -0.24 0.00 0.71 0.00 0.00 54.79 53.02 1ia4 n ASP 105 Cb 0.35 -0.49 -0.08 0.00 -0.02 0.00 0.00 41.12 40.88 1ia4 n ASP 105 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ia4 s VAL 106 N -1.47 2.85 -0.08 2.53 -7.23 -1.21 -4.68 120.40 111.10 1ia4 s VAL 106 Ca 0.46 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1ia4 s VAL 106 Cb 0.27 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 1ia4 s VAL 106 CO 0.25 -0.29 -0.04 -0.08 -0.31 0.00 0.00 175.10 174.63 1ia4 h GLU 107 N 1.91 0.00 -6.22 4.82 4.81 -1.49 -3.49 114.58 114.92 1ia4 h GLU 107 Ca -0.43 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.20 1ia4 h GLU 107 Cb 1.25 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.50 1ia4 h GLU 107 CO 0.64 0.00 -0.73 1.03 -0.73 0.00 0.00 179.01 179.21 1ia4 s ARG 108 N -1.57 1.82 -0.09 1.92 0.52 -1.26 -4.53 118.95 115.76 1ia4 s ARG 108 Ca -0.04 -1.67 0.04 0.00 -0.52 0.00 0.00 55.73 53.54 1ia4 s ARG 108 Cb 0.01 -1.87 -0.00 0.00 0.52 0.00 0.00 34.95 33.60 1ia4 s ARG 108 CO 0.06 0.34 -0.24 0.08 0.02 0.00 0.00 175.30 175.56 1ia4 s VAL 109 N -2.43 2.06 -0.18 3.52 1.01 0.11 -1.41 120.40 123.08 1ia4 s VAL 109 Ca 0.30 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 1ia4 s VAL 109 Cb -0.05 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1ia4 s VAL 109 CO 0.16 0.56 -0.10 -0.36 0.00 0.00 0.00 175.10 175.36 1ia4 s PHE 110 N 0.25 2.88 -0.35 5.22 0.08 -0.38 -1.46 117.98 124.21 1ia4 s PHE 110 Ca -0.16 -0.90 -0.21 0.00 0.12 0.00 0.00 56.93 55.78 1ia4 s PHE 110 Cb -0.17 -1.98 0.00 0.00 -0.57 0.00 0.00 43.02 40.30 1ia4 s PHE 110 CO 0.08 -0.44 0.65 0.42 -0.10 0.00 0.00 175.22 175.83 1ia4 s ILE 111 N 0.98 4.88 -0.24 0.64 1.01 0.11 -0.53 121.20 128.06 1ia4 s ILE 111 Ca -0.01 0.63 0.20 0.00 0.00 0.00 0.00 60.65 61.47 1ia4 s ILE 111 Cb -0.15 -4.08 -0.29 0.00 0.01 0.00 0.00 42.46 37.95 1ia4 s ILE 111 CO -0.01 -0.31 0.53 2.30 0.00 0.00 0.00 174.94 177.46 1ia4 n ILE 112 N 5.58 0.00 0.00 2.92 -5.35 -0.28 -1.86 119.36 120.37 1ia4 n ILE 112 Ca -0.01 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1ia4 n ILE 112 Cb 0.49 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.66 1ia4 n ILE 112 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ia4 n GLY 113 N 1.38 0.67 0.00 3.28 0.00 -1.25 -4.88 105.19 104.39 1ia4 n GLY 113 Ca -0.02 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1ia4 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ia4 n GLY 114 N -1.45 1.60 0.36 -0.02 0.00 -1.26 -1.87 105.19 102.55 1ia4 n GLY 114 Ca 0.00 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 1ia4 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ia4 h ALA 115 N -1.30 -0.39 -0.65 4.61 0.00 -1.96 0.13 119.26 119.70 1ia4 h ALA 115 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1ia4 h ALA 115 Cb 0.00 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1ia4 h ALA 115 CO 0.00 -0.83 0.37 1.49 0.00 0.00 0.00 179.25 180.28 1ia4 h GLU 116 N -0.37 0.67 -0.61 0.00 4.81 -1.97 -1.65 114.58 115.46 1ia4 h GLU 116 Ca 0.12 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1ia4 h GLU 116 Cb 0.57 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1ia4 h GLU 116 CO -0.46 0.44 0.08 0.82 -0.73 0.00 0.00 179.01 179.16 1ia4 h ILE 117 N 0.69 1.26 -0.13 2.32 1.08 -1.74 -1.78 117.51 119.21 1ia4 h ILE 117 Ca 0.29 -1.02 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 1ia4 h ILE 117 Cb 0.15 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 1ia4 h ILE 117 CO -0.17 0.38 0.08 1.88 -0.69 0.00 0.00 178.15 179.64 1ia4 h TYR 118 N 0.95 0.16 -0.16 1.37 0.05 -0.45 -1.23 116.97 117.67 1ia4 h TYR 118 Ca 0.19 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.94 1ia4 h TYR 118 Cb 0.44 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 1ia4 h TYR 118 CO 0.03 0.10 -0.03 -0.91 -1.05 0.00 0.00 178.16 176.30 1ia4 h ASN 119 N 0.18 0.21 1.66 3.88 2.35 -1.08 -1.64 115.58 121.13 1ia4 h ASN 119 Ca 0.05 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1ia4 h ASN 119 Cb -0.02 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1ia4 h ASN 119 CO -0.02 0.28 -0.35 -0.33 -1.65 0.00 0.00 177.43 175.37 1ia4 h GLU 120 N 0.23 0.00 0.00 0.81 5.08 -0.95 -3.38 114.58 116.36 1ia4 h GLU 120 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1ia4 h GLU 120 Cb 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ia4 h GLU 120 CO 0.01 0.18 -1.88 1.28 -1.00 0.00 0.00 179.01 177.60 1ia4 n LEU 121 N -3.09 0.11 0.04 1.33 4.77 -0.50 -4.40 117.00 115.27 1ia4 n LEU 121 Ca 0.02 0.04 0.18 0.00 -0.03 0.00 0.00 56.01 56.22 1ia4 n LEU 121 Cb 0.62 0.01 0.67 0.00 -2.33 0.00 0.00 43.42 42.38 1ia4 n LEU 121 CO 0.37 -0.01 1.16 -0.29 -1.33 0.00 0.00 177.39 177.30 1ia4 h ILE 122 N 0.00 0.79 -0.16 -0.08 6.09 -1.50 -0.97 117.51 121.68 1ia4 h ILE 122 Ca -0.02 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.46 1ia4 h ILE 122 Cb 1.04 0.76 0.00 0.00 0.47 0.00 0.00 36.82 39.08 1ia4 h ILE 122 CO 0.00 0.01 0.00 0.59 -3.07 0.00 0.00 178.15 175.68 1ia4 n ASN 123 N -4.41 2.48 -4.71 2.19 4.13 -1.26 -4.91 115.26 108.76 1ia4 n ASN 123 Ca 0.08 -1.82 -0.42 0.00 1.68 0.00 0.00 54.58 54.09 1ia4 n ASN 123 Cb 0.50 -0.10 -0.03 0.00 -1.54 0.00 0.00 39.78 38.62 1ia4 n ASN 123 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1ia4 s ASN 124 N -1.74 7.16 0.31 6.41 3.04 -0.37 -4.91 114.94 124.83 1ia4 s ASN 124 Ca 0.34 1.91 0.24 0.00 0.04 0.00 0.00 52.86 55.40 1ia4 s ASN 124 Cb 0.20 -2.58 1.12 0.00 -1.54 0.00 0.00 41.25 38.46 1ia4 s ASN 124 CO 0.30 -0.42 1.73 0.77 -3.04 0.00 0.00 177.10 176.45 1ia4 h SER 125 N 6.83 0.00 1.01 -4.21 4.64 -1.90 -2.12 113.55 117.79 1ia4 h SER 125 Ca -0.41 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.87 1ia4 h SER 125 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1ia4 h SER 125 CO 0.80 0.00 -0.19 -0.07 -0.87 0.00 0.00 176.83 176.49 1ia4 h LEU 126 N 0.00 0.00 -8.99 5.97 3.38 -1.93 -3.42 115.31 110.32 1ia4 h LEU 126 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1ia4 h LEU 126 Cb 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1ia4 h LEU 126 CO 0.00 0.19 0.85 -0.69 0.09 0.00 0.00 178.44 178.89 1ia4 s VAL 127 N -3.60 4.50 -0.32 1.22 1.01 -0.80 -3.89 120.40 118.51 1ia4 s VAL 127 Ca 0.01 1.75 0.04 0.00 0.00 0.00 0.00 61.98 63.77 1ia4 s VAL 127 Cb 0.10 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1ia4 s VAL 127 CO 0.63 -0.40 0.37 -1.54 0.00 0.00 0.00 175.10 174.16 1ia4 n SER 128 N 6.81 0.71 -4.01 3.32 3.41 -0.78 -4.94 113.62 118.15 1ia4 n SER 128 Ca 0.12 -0.86 -0.11 0.00 -0.26 0.00 0.00 58.87 57.77 1ia4 n SER 128 Cb 0.47 0.53 -0.11 0.00 -0.26 0.00 0.00 64.21 64.83 1ia4 n SER 128 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ia4 s HIS 129 N -0.85 0.41 -0.11 7.33 3.76 -1.22 -4.34 115.29 120.26 1ia4 s HIS 129 Ca 0.03 -0.50 0.02 0.00 -0.15 0.00 0.00 55.06 54.45 1ia4 s HIS 129 Cb 0.03 -0.27 0.01 0.00 1.11 0.00 0.00 32.58 33.47 1ia4 s HIS 129 CO 0.10 -0.15 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.17 1ia4 s LEU 130 N -1.46 1.81 -0.39 0.89 1.43 -0.99 -1.89 118.68 118.07 1ia4 s LEU 130 Ca -0.13 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.42 1ia4 s LEU 130 Cb -0.10 -1.16 0.07 0.00 0.03 0.00 0.00 46.19 45.03 1ia4 s LEU 130 CO -0.00 0.03 0.21 -0.76 0.23 0.00 0.00 176.35 176.06 1ia4 s LEU 131 N 0.93 4.92 -0.15 1.79 1.02 0.85 -1.68 118.68 126.35 1ia4 s LEU 131 Ca -0.07 -1.43 0.01 0.00 0.02 0.00 0.00 54.13 52.65 1ia4 s LEU 131 Cb -0.15 -1.94 -0.00 0.00 0.02 0.00 0.00 46.19 44.12 1ia4 s LEU 131 CO -0.01 -0.47 -0.16 -0.63 0.02 0.00 0.00 176.35 175.09 1ia4 s ILE 132 N 1.40 2.59 -0.35 -0.59 1.01 -0.58 -1.05 121.20 123.63 1ia4 s ILE 132 Ca 0.02 -0.80 -0.22 0.00 0.00 0.00 0.00 60.65 59.65 1ia4 s ILE 132 Cb -0.22 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.18 1ia4 s ILE 132 CO 0.02 0.52 0.71 -0.89 0.00 0.00 0.00 174.94 175.31 1ia4 s THR 133 N 0.74 4.82 -0.43 2.92 2.01 0.35 -1.42 115.64 124.64 1ia4 s THR 133 Ca -0.07 0.80 -0.20 0.00 0.31 0.00 0.00 61.69 62.54 1ia4 s THR 133 Cb -0.16 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.24 1ia4 s THR 133 CO 0.01 -0.34 0.58 -1.61 -0.69 0.00 0.00 174.62 172.57 1ia4 s GLU 134 N 2.89 3.26 -0.11 4.92 2.02 -0.41 -1.25 118.70 130.02 1ia4 s GLU 134 Ca 0.28 -0.46 -0.06 0.00 0.02 0.00 0.00 54.97 54.75 1ia4 s GLU 134 Cb -0.14 -3.94 -0.04 0.00 0.10 0.00 0.00 34.13 30.11 1ia4 s GLU 134 CO 0.15 -0.93 0.14 0.42 0.02 0.00 0.00 175.26 175.06 1ia4 s ILE 135 N 2.60 5.47 0.13 -1.63 1.01 -0.32 -2.39 121.20 126.07 1ia4 s ILE 135 Ca 0.19 0.16 0.06 0.00 0.00 0.00 0.00 60.65 61.07 1ia4 s ILE 135 Cb -0.15 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1ia4 s ILE 135 CO 0.17 0.59 -0.14 -1.61 0.00 0.00 0.00 174.94 173.95 1ia4 s GLU 136 N -1.11 1.07 -0.08 2.79 2.02 0.23 -0.86 118.70 122.76 1ia4 s GLU 136 Ca 0.16 -1.30 -0.12 0.00 0.02 0.00 0.00 54.97 53.73 1ia4 s GLU 136 Cb -0.12 -0.92 0.03 0.00 0.10 0.00 0.00 34.13 33.22 1ia4 s GLU 136 CO 0.05 0.17 0.30 -1.58 0.02 0.00 0.00 175.26 174.22 1ia4 s HIS 137 N -2.33 -0.27 0.41 1.61 2.46 -1.26 -1.27 115.29 114.63 1ia4 s HIS 137 Ca 0.11 0.62 0.15 0.00 0.47 0.00 0.00 55.06 56.41 1ia4 s HIS 137 Cb -0.04 0.10 1.02 0.00 -0.13 0.00 0.00 32.58 33.53 1ia4 s HIS 137 CO 0.03 -0.23 1.88 -1.00 -2.47 0.00 0.00 174.74 172.95 1ia4 h PRO 138 N 5.10 0.46 -2.19 2.88 0.13 -2.00 -3.31 132.00 133.06 1ia4 h PRO 138 Ca -0.27 -0.03 -0.51 0.00 -0.87 0.00 0.00 66.00 64.31 1ia4 h PRO 138 Cb 1.19 -0.10 -0.35 0.00 0.13 0.00 0.00 31.00 31.86 1ia4 h PRO 138 CO 0.34 0.30 -0.87 -1.54 -0.23 0.00 0.00 178.00 176.00 1ia4 s SER 139 N -5.76 1.29 0.52 1.44 1.04 -1.26 -5.01 113.70 105.97 1ia4 s SER 139 Ca -0.08 -2.62 0.20 0.00 0.48 0.00 0.00 55.95 53.93 1ia4 s SER 139 Cb 0.22 -0.05 1.31 0.00 0.10 0.00 0.00 66.02 67.60 1ia4 s SER 139 CO 0.78 -0.19 2.07 1.55 0.98 0.00 0.00 173.24 178.43 1ia4 h PRO 140 N 5.93 0.03 0.00 4.02 0.13 -1.89 -1.61 132.00 138.61 1ia4 h PRO 140 Ca 0.19 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1ia4 h PRO 140 Cb 0.96 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1ia4 h PRO 140 CO 0.29 0.02 0.00 1.05 -0.23 0.00 0.00 178.00 179.13 1ia4 h GLU 141 N 0.03 0.00 0.00 0.86 9.09 -1.94 0.27 114.58 122.89 1ia4 h GLU 141 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 1ia4 h GLU 141 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 1ia4 h GLU 141 CO -0.01 0.00 0.00 0.43 0.05 0.00 0.00 179.01 179.48 1ia4 n SER 142 N -2.84 0.00 -4.66 3.06 7.64 -0.60 -4.68 113.62 111.54 1ia4 n SER 142 Ca -0.00 0.32 -0.37 0.00 1.01 0.00 0.00 58.87 59.83 1ia4 n SER 142 Cb 0.20 -0.43 -0.09 0.00 -1.01 0.00 0.00 64.21 62.88 1ia4 n SER 142 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ia4 s ILE 143 N -2.87 5.31 0.00 0.44 -1.09 0.08 -5.05 121.20 118.02 1ia4 s ILE 143 Ca 0.16 0.34 -0.30 0.00 -2.23 0.00 0.00 60.65 58.61 1ia4 s ILE 143 Cb 0.16 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 1ia4 s ILE 143 CO 0.43 0.31 1.26 -1.61 -1.23 0.00 0.00 174.94 174.09 1ia4 s GLU 144 N 1.21 4.36 -0.12 2.79 2.02 -1.26 -5.03 118.70 122.65 1ia4 s GLU 144 Ca 0.11 1.79 -0.29 0.00 0.02 0.00 0.00 54.97 56.60 1ia4 s GLU 144 Cb -0.14 -3.48 0.08 0.00 0.10 0.00 0.00 34.13 30.68 1ia4 s GLU 144 CO 0.06 -0.42 0.72 0.00 0.02 0.00 0.00 175.26 175.64 1ia4 s MET 145 N 1.85 0.95 -0.05 1.61 0.23 -1.26 -4.56 119.30 118.07 1ia4 s MET 145 Ca 0.59 0.46 0.07 0.00 -1.03 0.00 0.00 55.69 55.78 1ia4 s MET 145 Cb -0.28 0.45 0.10 0.00 -1.53 0.00 0.00 34.83 33.57 1ia4 s MET 145 CO 0.26 -0.25 0.97 -0.40 -2.03 0.00 0.00 175.02 173.57 1ia4 n ASP 146 N 1.42 1.26 -3.74 -1.18 5.68 -0.98 -4.98 116.55 114.02 1ia4 n ASP 146 Ca -0.17 -2.23 -0.15 0.00 -0.50 0.00 0.00 54.79 51.75 1ia4 n ASP 146 Cb 0.56 -0.21 -0.15 0.00 -1.14 0.00 0.00 41.12 40.19 1ia4 n ASP 146 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1ia4 s THR 147 N -1.23 -0.08 0.17 2.12 2.01 -1.10 -4.96 115.64 112.57 1ia4 s THR 147 Ca 0.11 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.35 1ia4 s THR 147 Cb 0.10 -0.21 -0.05 0.00 0.01 0.00 0.00 72.50 72.36 1ia4 s THR 147 CO 0.01 0.09 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.67 1ia4 s PHE 148 N 1.32 1.23 0.06 4.92 0.40 -1.26 -0.81 117.98 123.84 1ia4 s PHE 148 Ca -0.07 -1.00 -0.18 0.00 -0.60 0.00 0.00 56.93 55.08 1ia4 s PHE 148 Cb -0.12 -0.70 -0.06 0.00 0.51 0.00 0.00 43.02 42.65 1ia4 s PHE 148 CO -0.05 -0.18 0.53 -0.51 0.70 0.00 0.00 175.22 175.70 1ia4 s LEU 149 N -3.18 4.50 -0.72 -0.37 1.43 -0.49 -4.88 118.68 114.98 1ia4 s LEU 149 Ca 0.24 1.17 0.04 0.00 -1.03 0.00 0.00 54.13 54.55 1ia4 s LEU 149 Cb 0.06 -2.85 0.25 0.00 0.03 0.00 0.00 46.19 43.68 1ia4 s LEU 149 CO 0.04 0.28 0.82 0.29 0.23 0.00 0.00 176.35 178.01 1ia4 n LYS 150 N 1.67 2.73 -4.24 1.70 4.76 -1.26 -4.93 118.16 118.59 1ia4 n LYS 150 Ca -0.11 -4.64 -0.34 0.00 -2.87 0.00 0.00 58.31 50.36 1ia4 n LYS 150 Cb 0.51 -2.30 -0.08 0.00 -1.84 0.00 0.00 35.03 31.32 1ia4 n LYS 150 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1ia4 s PHE 151 N -2.38 3.19 -1.36 2.13 -0.71 -1.26 -4.96 117.98 112.63 1ia4 s PHE 151 Ca 0.37 0.18 -0.11 0.00 -1.04 0.00 0.00 56.93 56.33 1ia4 s PHE 151 Cb 0.11 -1.75 0.11 0.00 -1.21 0.00 0.00 43.02 40.28 1ia4 s PHE 151 CO -0.02 0.51 2.07 -0.35 -1.34 0.00 0.00 175.22 176.09 1ia4 n PRO 152 N 1.64 3.35 0.16 1.99 -0.04 -1.26 -4.77 135.00 136.07 1ia4 n PRO 152 Ca -0.16 -3.11 0.19 0.00 -0.04 0.00 0.00 63.50 60.38 1ia4 n PRO 152 Cb 0.53 -3.06 0.77 0.00 -0.04 0.00 0.00 33.50 31.71 1ia4 n PRO 152 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ia4 h LEU 153 N 8.61 0.00 -1.01 1.53 4.07 -1.95 0.20 115.31 126.76 1ia4 h LEU 153 Ca 0.49 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.45 1ia4 h LEU 153 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1ia4 h LEU 153 CO 1.74 0.00 0.00 1.05 -1.08 0.00 0.00 178.44 180.15 1ia4 h GLU 154 N 0.00 0.00 -0.54 1.13 9.09 -2.03 -1.65 114.58 120.58 1ia4 h GLU 154 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 1ia4 h GLU 154 Cb 0.91 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.01 1ia4 h GLU 154 CO -0.00 0.00 0.00 0.43 0.05 0.00 0.00 179.01 179.49 1ia4 n SER 155 N -2.41 4.67 -4.16 3.06 7.64 0.69 -4.93 113.62 118.18 1ia4 n SER 155 Ca 0.01 -2.61 -0.15 0.00 1.01 0.00 0.00 58.87 57.13 1ia4 n SER 155 Cb 0.21 -0.57 -0.11 0.00 -1.01 0.00 0.00 64.21 62.73 1ia4 n SER 155 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ia4 s TRP 156 N -2.13 1.04 -0.06 1.43 0.52 -0.62 -1.16 118.94 117.96 1ia4 s TRP 156 Ca 0.48 -0.59 0.05 0.00 0.02 0.00 0.00 56.10 56.06 1ia4 s TRP 156 Cb 0.33 -0.58 -0.01 0.00 -1.15 0.00 0.00 33.47 32.07 1ia4 s TRP 156 CO 0.19 0.00 -0.22 0.99 0.02 0.00 0.00 176.95 177.93 1ia4 s THR 157 N -2.05 1.84 -0.01 2.01 2.01 0.12 -4.79 115.64 114.78 1ia4 s THR 157 Ca 0.02 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 1ia4 s THR 157 Cb -0.05 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 1ia4 s THR 157 CO 0.01 0.52 0.98 -0.75 -0.69 0.00 0.00 174.62 174.68 1ia4 s LYS 158 N 0.00 4.55 0.53 4.92 2.20 -1.26 -1.19 119.74 129.48 1ia4 s LYS 158 Ca -0.06 1.42 -0.05 0.00 -0.36 0.00 0.00 55.97 56.92 1ia4 s LYS 158 Cb -0.14 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 1ia4 s LYS 158 CO 0.04 -0.07 0.82 -0.65 -0.36 0.00 0.00 175.35 175.13 1ia4 s GLN 159 N 1.10 3.17 0.80 4.03 -1.52 0.30 -4.96 119.66 122.58 1ia4 s GLN 159 Ca 0.52 -0.01 -0.12 0.00 -1.95 0.00 0.00 55.36 53.80 1ia4 s GLN 159 Cb -0.21 -2.36 0.08 0.00 -0.22 0.00 0.00 33.01 30.30 1ia4 s GLN 159 CO 0.27 -0.44 1.13 -1.25 -0.25 0.00 0.00 175.29 174.75 1ia4 s PRO 160 N -4.82 1.89 0.46 2.91 0.05 -1.26 -4.64 135.00 129.59 1ia4 s PRO 160 Ca 0.50 1.43 0.13 0.00 0.05 0.00 0.00 61.00 63.12 1ia4 s PRO 160 Cb -0.10 -1.84 1.06 0.00 0.05 0.00 0.00 34.50 33.67 1ia4 s PRO 160 CO 0.44 -1.96 2.05 -0.22 0.05 0.00 0.00 177.00 177.36 1ia4 h LYS 161 N -1.07 0.32 0.00 4.56 3.64 -1.96 -0.21 116.57 121.84 1ia4 h LYS 161 Ca -0.45 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1ia4 h LYS 161 Cb 1.26 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1ia4 h LYS 161 CO 0.48 0.21 -0.10 0.66 -2.27 0.00 0.00 179.45 178.43 1ia4 h SER 162 N 0.32 0.00 0.41 4.20 4.64 -1.99 0.25 113.55 121.38 1ia4 h SER 162 Ca 0.16 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.21 1ia4 h SER 162 Cb 0.23 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1ia4 h SER 162 CO -0.04 0.10 -1.19 -0.33 -0.87 0.00 0.00 176.83 174.51 1ia4 h GLU 163 N 0.00 0.41 -0.40 4.77 4.39 -1.37 -1.98 114.58 120.40 1ia4 h GLU 163 Ca -0.00 -0.59 -0.01 0.00 0.34 0.00 0.00 59.36 59.10 1ia4 h GLU 163 Cb 0.22 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1ia4 h GLU 163 CO 0.01 1.25 0.20 1.25 -1.16 0.00 0.00 179.01 180.56 1ia4 h LEU 164 N 0.17 0.52 -0.88 1.33 5.85 -1.10 -2.46 115.31 118.74 1ia4 h LEU 164 Ca -0.14 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.53 1ia4 h LEU 164 Cb 1.88 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.71 1ia4 h LEU 164 CO 0.21 0.49 0.55 -0.61 -0.34 0.00 0.00 178.44 178.74 1ia4 h GLN 165 N 0.51 0.95 -0.47 1.25 5.75 -0.51 -2.08 115.11 120.51 1ia4 h GLN 165 Ca 0.14 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1ia4 h GLN 165 Cb 0.11 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 1ia4 h GLN 165 CO -0.02 0.63 0.22 0.87 -2.65 0.00 0.00 178.83 177.88 1ia4 h LYS 166 N 0.98 0.67 -0.67 1.69 1.57 -1.02 -0.87 116.57 118.92 1ia4 h LYS 166 Ca 0.39 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1ia4 h LYS 166 Cb 0.21 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1ia4 h LYS 166 CO -0.19 0.57 0.43 0.35 -0.57 0.00 0.00 179.45 180.04 1ia4 h PHE 167 N 0.61 0.86 0.00 -1.35 3.04 -0.98 -3.13 116.94 115.99 1ia4 h PHE 167 Ca 0.16 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1ia4 h PHE 167 Cb 0.12 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.34 1ia4 h PHE 167 CO -0.01 0.56 -0.48 1.33 -2.02 0.00 0.00 178.31 177.69 1ia4 n VAL 168 N -4.59 0.07 0.00 1.41 0.24 -0.83 -5.02 118.33 109.61 1ia4 n VAL 168 Ca 0.06 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ia4 n VAL 168 Cb 0.04 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 1ia4 n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ia4 n GLY 169 N 1.47 2.08 0.08 7.63 0.00 -0.34 -3.33 105.19 112.77 1ia4 n GLY 169 Ca 0.05 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.84 1ia4 n GLY 169 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ia4 h ASP 170 N 0.00 0.00 -2.07 1.61 -0.00 -1.93 -3.45 116.42 110.58 1ia4 h ASP 170 Ca 0.00 -0.18 -0.64 0.00 -0.00 0.00 0.00 57.03 56.21 1ia4 h ASP 170 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 39.33 39.41 1ia4 h ASP 170 CO 0.00 0.09 0.38 0.41 -0.00 0.00 0.00 179.24 180.12 1ia4 n THR 171 N -2.21 0.75 -2.78 1.15 -1.04 -1.21 -4.90 114.28 104.05 1ia4 n THR 171 Ca 0.03 -0.19 -0.42 0.00 -2.04 0.00 0.00 64.05 61.43 1ia4 n THR 171 Cb 0.45 -1.00 -0.03 0.00 -1.82 0.00 0.00 70.33 67.93 1ia4 n THR 171 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ia4 s VAL 172 N -0.03 4.86 -0.55 12.58 1.01 -1.26 -5.01 120.40 131.99 1ia4 s VAL 172 Ca 0.74 1.89 -0.03 0.00 0.00 0.00 0.00 61.98 64.57 1ia4 s VAL 172 Cb -0.82 -4.24 0.14 0.00 0.00 0.00 0.00 36.38 31.46 1ia4 s VAL 172 CO 0.50 0.08 0.37 -0.76 0.00 0.00 0.00 175.10 175.30 1ia4 s LEU 173 N 1.62 5.30 0.30 3.92 1.43 -1.26 -5.09 118.68 124.90 1ia4 s LEU 173 Ca 0.46 -2.54 -0.22 0.00 -1.03 0.00 0.00 54.13 50.79 1ia4 s LEU 173 Cb -0.19 -1.86 -0.09 0.00 0.03 0.00 0.00 46.19 44.08 1ia4 s LEU 173 CO 0.19 -0.45 0.85 -1.61 0.23 0.00 0.00 176.35 175.57 1ia4 s GLU 174 N 0.39 4.37 0.25 1.70 2.02 -1.26 -5.06 118.70 121.11 1ia4 s GLU 174 Ca 0.14 1.08 -0.04 0.00 0.02 0.00 0.00 54.97 56.17 1ia4 s GLU 174 Cb -0.21 -2.72 -0.05 0.00 0.10 0.00 0.00 34.13 31.25 1ia4 s GLU 174 CO -0.04 0.27 0.49 -0.51 0.02 0.00 0.00 175.26 175.50 1ia4 s ASP 175 N -1.75 6.44 -1.26 -0.19 1.01 -1.26 -4.52 116.67 115.13 1ia4 s ASP 175 Ca 0.49 0.61 -0.12 0.00 0.71 0.00 0.00 52.55 54.25 1ia4 s ASP 175 Cb -0.16 -2.10 -0.00 0.00 1.01 0.00 0.00 42.92 41.67 1ia4 s ASP 175 CO 0.21 -0.12 0.63 0.47 0.21 0.00 0.00 175.17 176.56 1ia4 n ASP 176 N -0.74 -2.95 -4.76 0.27 10.43 -1.20 -4.89 116.55 112.71 1ia4 n ASP 176 Ca -0.03 -1.02 -0.41 0.00 2.57 0.00 0.00 54.79 55.91 1ia4 n ASP 176 Cb 0.54 -3.19 -0.02 0.00 1.84 0.00 0.00 41.12 40.28 1ia4 n ASP 176 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1ia4 s ILE 177 N -3.68 2.87 -0.11 0.53 1.01 0.17 -4.71 121.20 117.28 1ia4 s ILE 177 Ca 0.25 0.82 -0.00 0.00 0.00 0.00 0.00 60.65 61.73 1ia4 s ILE 177 Cb -0.10 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 1ia4 s ILE 177 CO 0.88 0.17 -0.10 -0.54 0.00 0.00 0.00 174.94 175.35 1ia4 s LYS 178 N -1.25 3.19 -0.20 2.79 1.02 -1.26 -0.56 119.74 123.47 1ia4 s LYS 178 Ca 0.51 -0.63 -0.04 0.00 0.02 0.00 0.00 55.97 55.83 1ia4 s LYS 178 Cb -0.39 -2.64 0.09 0.00 -0.52 0.00 0.00 37.83 34.37 1ia4 s LYS 178 CO 0.48 0.36 0.19 -1.21 -0.92 0.00 0.00 175.35 174.25 1ia4 s GLU 179 N -0.02 0.16 7.00 1.68 2.02 -0.67 -5.03 118.70 123.85 1ia4 s GLU 179 Ca -0.02 0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.06 1ia4 s GLU 179 Cb -0.14 -1.34 0.00 0.00 0.10 0.00 0.00 34.13 32.75 1ia4 s GLU 179 CO 0.04 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 175.04 1ia4 n GLY 180 N 5.31 2.58 0.04 -1.39 0.00 -1.26 -1.60 105.19 108.87 1ia4 n GLY 180 Ca -0.06 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.77 1ia4 n GLY 180 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ia4 n ASP 181 N 4.77 0.43 -4.82 1.61 10.43 -1.26 -4.90 116.55 122.81 1ia4 n ASP 181 Ca 0.00 -0.19 -0.36 0.00 2.57 0.00 0.00 54.79 56.81 1ia4 n ASP 181 Cb 0.00 0.01 -0.06 0.00 1.84 0.00 0.00 41.12 42.91 1ia4 n ASP 181 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1ia4 s PHE 182 N -2.87 3.63 -0.05 1.24 0.08 -0.63 -4.34 117.98 115.04 1ia4 s PHE 182 Ca 0.16 1.31 0.04 0.00 0.12 0.00 0.00 56.93 58.56 1ia4 s PHE 182 Cb 0.18 -2.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.07 1ia4 s PHE 182 CO 0.61 0.35 -0.16 0.99 -0.10 0.00 0.00 175.22 176.91 1ia4 s THR 183 N -1.52 1.37 0.08 0.64 2.01 -0.40 -1.66 115.64 116.16 1ia4 s THR 183 Ca 0.42 -0.66 -0.07 0.00 0.31 0.00 0.00 61.69 61.68 1ia4 s THR 183 Cb -0.16 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 1ia4 s THR 183 CO 0.20 0.40 0.16 -0.72 -0.69 0.00 0.00 174.62 173.97 1ia4 s TYR 184 N 0.20 0.22 -0.00 4.92 1.13 0.27 0.74 117.35 124.82 1ia4 s TYR 184 Ca -0.07 -0.67 -0.08 0.00 -1.41 0.00 0.00 57.07 54.84 1ia4 s TYR 184 Cb -0.13 -0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.62 1ia4 s TYR 184 CO 0.03 -0.52 0.15 -0.80 -2.51 0.00 0.00 175.55 171.90 1ia4 s ASN 185 N -2.87 -0.00 -0.00 -0.18 -0.87 -1.01 -0.66 114.94 109.34 1ia4 s ASN 185 Ca 0.06 -0.15 -0.12 0.00 -1.57 0.00 0.00 52.86 51.08 1ia4 s ASN 185 Cb 0.05 0.22 -0.05 0.00 -0.02 0.00 0.00 41.25 41.45 1ia4 s ASN 185 CO -0.10 -0.35 0.35 -0.31 -2.57 0.00 0.00 177.10 174.12 1ia4 s TYR 186 N -1.27 3.67 0.05 2.20 2.02 -1.26 -1.29 117.35 121.47 1ia4 s TYR 186 Ca -0.14 0.86 -0.00 0.00 -0.37 0.00 0.00 57.07 57.42 1ia4 s TYR 186 Cb -0.07 -2.19 -0.03 0.00 -0.40 0.00 0.00 41.96 39.27 1ia4 s TYR 186 CO 0.02 0.64 -0.04 0.95 -1.57 0.00 0.00 175.55 175.55 1ia4 s THR 187 N -1.14 0.27 -0.05 -0.71 -4.23 -0.51 -4.97 115.64 104.30 1ia4 s THR 187 Ca 0.24 -1.59 0.03 0.00 -1.18 0.00 0.00 61.69 59.19 1ia4 s THR 187 Cb -0.15 -1.21 0.01 0.00 1.34 0.00 0.00 72.50 72.48 1ia4 s THR 187 CO 0.13 -0.84 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.01 1ia4 s LEU 188 N -2.54 1.77 0.04 4.79 2.96 -1.26 -1.53 118.68 122.92 1ia4 s LEU 188 Ca 0.02 -0.31 0.08 0.00 -0.22 0.00 0.00 54.13 53.69 1ia4 s LEU 188 Cb 0.03 -0.86 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 1ia4 s LEU 188 CO -0.07 0.08 -0.21 0.26 -1.32 0.00 0.00 176.35 175.09 1ia4 s TRP 189 N 0.38 1.87 0.15 5.38 0.52 -0.68 0.11 118.94 126.66 1ia4 s TRP 189 Ca -0.10 -0.38 0.05 0.00 0.02 0.00 0.00 56.10 55.69 1ia4 s TRP 189 Cb -0.13 -1.11 -0.04 0.00 -1.15 0.00 0.00 33.47 31.03 1ia4 s TRP 189 CO 0.03 0.10 -0.11 0.95 0.02 0.00 0.00 176.95 177.94 1ia4 s THR 190 N -0.80 1.19 0.50 2.01 -4.23 -0.34 -2.35 115.64 111.63 1ia4 s THR 190 Ca 0.08 -2.02 -0.21 0.00 -1.18 0.00 0.00 61.69 58.35 1ia4 s THR 190 Cb -0.09 -1.81 -0.06 0.00 1.34 0.00 0.00 72.50 71.88 1ia4 s THR 190 CO 0.02 -0.71 1.18 -0.13 -0.54 0.00 0.00 174.62 174.44 1ia4 s ARG 191 N -3.62 3.51 0.00 3.99 0.52 -1.26 0.15 118.95 122.24 1ia4 s ARG 191 Ca 0.16 1.78 0.28 0.00 -0.52 0.00 0.00 55.73 57.43 1ia4 s ARG 191 Cb 0.02 -2.24 1.14 0.00 0.52 0.00 0.00 34.95 34.39 1ia4 s ARG 191 CO 0.01 -0.76 1.79 1.63 0.02 0.00 0.00 175.30 177.99