#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 3.50 -1.30 -0.89 2.96 -1.26 -4.17 118.68 117.52 1ia4 s LEU 2 Ca 0.00 -0.12 -0.22 0.00 -0.22 0.00 0.00 54.13 53.57 1ia4 s LEU 2 Cb 0.00 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.81 1ia4 s LEU 2 CO 0.00 0.06 0.42 0.29 -1.32 0.00 0.00 176.35 175.80 1ia4 n LYS 3 N 4.30 -0.47 -1.38 1.98 4.76 -1.26 -4.93 118.16 121.16 1ia4 n LYS 3 Ca -0.16 0.05 -0.32 0.00 -2.87 0.00 0.00 58.31 55.01 1ia4 n LYS 3 Cb 0.52 -2.75 0.08 0.00 -1.84 0.00 0.00 35.03 31.04 1ia4 n LYS 3 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1ia4 s PRO 4 N -7.40 2.34 0.21 1.97 0.04 -1.26 -5.00 135.00 125.90 1ia4 s PRO 4 Ca 0.31 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 1ia4 s PRO 4 Cb -0.17 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1ia4 s PRO 4 CO 0.96 -1.59 0.95 -0.80 0.04 0.00 0.00 177.00 176.56 1ia4 s ASN 5 N -3.06 7.60 0.05 6.66 0.01 -1.26 -4.86 114.94 120.08 1ia4 s ASN 5 Ca 0.64 1.92 0.08 0.00 -0.71 0.00 0.00 52.86 54.78 1ia4 s ASN 5 Cb -0.19 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 38.84 1ia4 s ASN 5 CO 0.51 0.09 -0.23 -0.69 -1.51 0.00 0.00 177.10 175.28 1ia4 s VAL 6 N -0.87 1.83 0.04 1.60 1.01 -0.46 -4.38 120.40 119.16 1ia4 s VAL 6 Ca 0.43 -1.31 0.06 0.00 0.00 0.00 0.00 61.98 61.16 1ia4 s VAL 6 Cb -0.25 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1ia4 s VAL 6 CO 0.32 0.22 -0.15 0.00 0.00 0.00 0.00 175.10 175.49 1ia4 s ALA 7 N -0.84 2.71 -0.10 5.51 0.00 -0.53 -0.94 121.76 127.57 1ia4 s ALA 7 Ca 0.09 -1.16 -0.08 0.00 0.00 0.00 0.00 51.96 50.81 1ia4 s ALA 7 Cb -0.09 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1ia4 s ALA 7 CO 0.02 0.59 0.19 0.42 0.00 0.00 0.00 175.76 176.97 1ia4 s ILE 8 N -0.96 5.43 -0.10 0.00 1.01 -0.41 -0.68 121.20 125.49 1ia4 s ILE 8 Ca 0.16 0.32 0.01 0.00 0.00 0.00 0.00 60.65 61.13 1ia4 s ILE 8 Cb -0.11 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 38.93 1ia4 s ILE 8 CO 0.06 0.61 -0.10 -0.51 0.00 0.00 0.00 174.94 175.00 1ia4 s ILE 9 N -1.03 1.14 0.12 2.92 2.07 -0.76 -0.50 121.20 125.15 1ia4 s ILE 9 Ca 0.16 -0.41 -0.08 0.00 -1.41 0.00 0.00 60.65 58.91 1ia4 s ILE 9 Cb -0.13 -1.10 -0.01 0.00 0.13 0.00 0.00 42.46 41.35 1ia4 s ILE 9 CO 0.06 0.38 0.21 0.54 -1.91 0.00 0.00 174.94 174.22 1ia4 s VAL 10 N 1.30 0.12 -0.14 4.00 0.11 -0.44 -4.59 120.40 120.75 1ia4 s VAL 10 Ca -0.02 -1.28 0.02 0.00 -2.93 0.00 0.00 61.98 57.77 1ia4 s VAL 10 Cb -0.14 -1.54 0.01 0.00 -1.53 0.00 0.00 36.38 33.19 1ia4 s VAL 10 CO -0.04 -0.53 -0.21 0.00 -3.33 0.00 0.00 175.10 170.99 1ia4 s ALA 11 N -3.90 2.17 0.01 1.54 0.00 -1.26 -0.86 121.76 119.45 1ia4 s ALA 11 Ca 0.10 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1ia4 s ALA 11 Cb 0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1ia4 s ALA 11 CO -0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 175.76 175.59 1ia4 s ALA 12 N 0.88 0.27 -0.24 0.00 0.00 -0.38 -4.70 121.76 117.59 1ia4 s ALA 12 Ca -0.06 -0.36 -0.23 0.00 0.00 0.00 0.00 51.96 51.32 1ia4 s ALA 12 Cb -0.15 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 1ia4 s ALA 12 CO -0.03 -0.01 0.73 -1.17 0.00 0.00 0.00 175.76 175.29 1ia4 s LEU 13 N -0.69 4.08 0.54 0.00 2.96 -0.51 -1.33 118.68 123.72 1ia4 s LEU 13 Ca -0.05 0.89 -0.16 0.00 -0.22 0.00 0.00 54.13 54.59 1ia4 s LEU 13 Cb -0.05 -3.03 -0.06 0.00 0.50 0.00 0.00 46.19 43.54 1ia4 s LEU 13 CO -0.00 -0.44 1.01 -0.54 -1.32 0.00 0.00 176.35 175.06 1ia4 s LYS 14 N 2.63 3.76 0.01 1.98 1.02 0.44 -0.74 119.74 128.84 1ia4 s LYS 14 Ca 0.31 1.01 0.23 0.00 0.02 0.00 0.00 55.97 57.55 1ia4 s LYS 14 Cb -0.15 -2.10 0.16 0.00 -0.52 0.00 0.00 37.83 35.21 1ia4 s LYS 14 CO 0.08 -0.44 1.16 -0.35 -0.92 0.00 0.00 175.35 174.88 1ia4 n PRO 15 N -1.76 0.07 0.00 -1.68 -0.04 -1.26 -4.75 135.00 125.58 1ia4 n PRO 15 Ca 0.07 -0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.67 1ia4 n PRO 15 Cb 0.54 -1.52 0.64 0.00 -0.04 0.00 0.00 33.50 33.11 1ia4 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ia4 n ALA 16 N -1.58 2.34 -3.15 0.55 0.00 -1.22 -4.92 120.51 112.53 1ia4 n ALA 16 Ca 0.04 -0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 1ia4 n ALA 16 Cb 0.36 -1.47 0.07 0.00 0.00 0.00 0.00 19.45 18.41 1ia4 n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ia4 n LEU 17 N -1.46 -3.47 -4.77 0.00 4.77 0.08 -4.58 117.00 107.58 1ia4 n LEU 17 Ca 0.08 -0.46 -0.39 0.00 -0.03 0.00 0.00 56.01 55.21 1ia4 n LEU 17 Cb 0.32 -2.50 -0.04 0.00 -2.33 0.00 0.00 43.42 38.87 1ia4 n LEU 17 CO 0.26 0.34 0.80 -0.83 -1.33 0.00 0.00 177.39 176.63 1ia4 s GLY 18 N -3.88 2.97 0.00 -0.72 0.00 -1.02 -1.48 107.32 103.19 1ia4 s GLY 18 Ca 0.09 0.90 0.00 0.00 0.00 0.00 0.00 44.72 45.71 1ia4 s GLY 18 CO 0.56 1.46 0.00 0.29 0.00 0.00 0.00 173.10 175.41 1ia4 n ILE 19 N 0.74 0.00 -3.76 0.90 -5.35 -0.66 -1.43 119.36 109.81 1ia4 n ILE 19 Ca 0.01 -0.19 -0.01 0.00 -0.27 0.00 0.00 62.75 62.29 1ia4 n ILE 19 Cb 0.46 0.83 -0.00 0.00 -1.74 0.00 0.00 39.64 39.19 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 -0.60 -0.22 -0.22 3.28 0.00 -1.23 -4.51 107.32 103.81 1ia4 s GLY 20 Ca 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 44.72 44.91 1ia4 s GLY 20 CO 0.00 1.13 0.30 -0.47 0.00 0.00 0.00 173.10 174.06 1ia4 s TYR 21 N -2.62 -0.54 -1.48 1.90 6.14 0.72 -1.40 117.35 120.08 1ia4 s TYR 21 Ca 0.17 0.52 -0.09 0.00 0.64 0.00 0.00 57.07 58.30 1ia4 s TYR 21 Cb 0.01 -0.18 0.06 0.00 0.42 0.00 0.00 41.96 42.27 1ia4 s TYR 21 CO 0.00 -0.66 0.82 0.36 0.64 0.00 0.00 175.55 176.71 1ia4 n LYS 22 N 5.34 -4.83 -0.54 4.97 2.85 -1.26 -2.27 118.16 122.42 1ia4 n LYS 22 Ca -0.05 0.55 0.00 0.00 -1.05 0.00 0.00 58.31 57.77 1ia4 n LYS 22 Cb 0.50 -5.24 0.00 0.00 -0.65 0.00 0.00 35.03 29.63 1ia4 n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ia4 n GLY 23 N -1.67 0.76 3.15 2.58 0.00 -1.26 -5.05 105.19 103.71 1ia4 n GLY 23 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 1ia4 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ia4 s LYS 24 N -0.46 0.76 0.16 1.61 0.00 -0.96 -5.11 119.74 115.74 1ia4 s LYS 24 Ca 0.00 -0.99 -0.30 0.00 0.00 0.00 0.00 55.97 54.68 1ia4 s LYS 24 Cb 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 37.83 37.17 1ia4 s LYS 24 CO 0.00 0.11 1.21 -1.64 0.00 0.00 0.00 175.35 175.03 1ia4 s MET 25 N -2.11 4.47 0.00 1.78 -1.94 -1.26 -0.20 119.30 120.05 1ia4 s MET 25 Ca -0.01 1.87 0.05 0.00 -1.71 0.00 0.00 55.69 55.89 1ia4 s MET 25 Cb -0.07 -3.26 0.30 0.00 2.01 0.00 0.00 34.83 33.80 1ia4 s MET 25 CO 0.01 -0.14 0.81 -0.35 -0.01 0.00 0.00 175.02 175.35 1ia4 n PRO 26 N 2.84 0.56 -4.06 2.03 -0.05 -1.26 -4.80 135.00 130.26 1ia4 n PRO 26 Ca 0.06 0.00 -0.09 0.00 -0.05 0.00 0.00 63.50 63.42 1ia4 n PRO 26 Cb 0.45 -1.14 -0.09 0.00 -0.05 0.00 0.00 33.50 32.67 1ia4 n PRO 26 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 175.50 177.12 1ia4 s TRP 27 N -2.00 0.59 -0.33 0.54 -2.14 -1.26 -5.02 118.94 109.32 1ia4 s TRP 27 Ca 0.07 -1.01 0.01 0.00 2.66 0.00 0.00 56.10 57.83 1ia4 s TRP 27 Cb 0.03 -0.31 0.10 0.00 -3.10 0.00 0.00 33.47 30.19 1ia4 s TRP 27 CO 0.06 -0.53 0.10 0.50 -2.66 0.00 0.00 176.95 174.42 1ia4 s ARG 28 N -3.98 0.96 -0.59 3.25 3.52 -1.26 -5.06 118.95 115.80 1ia4 s ARG 28 Ca 0.16 -1.37 -0.07 0.00 -0.13 0.00 0.00 55.73 54.32 1ia4 s ARG 28 Cb 0.06 -2.32 0.15 0.00 -1.56 0.00 0.00 34.95 31.28 1ia4 s ARG 28 CO -0.03 -0.99 0.44 -0.51 -0.81 0.00 0.00 175.30 173.40 1ia4 s LEU 29 N 1.31 5.70 0.25 -0.88 1.43 -1.26 -4.98 118.68 120.26 1ia4 s LEU 29 Ca 0.11 -2.39 -0.04 0.00 -1.03 0.00 0.00 54.13 50.78 1ia4 s LEU 29 Cb -0.18 -1.98 0.36 0.00 0.03 0.00 0.00 46.19 44.42 1ia4 s LEU 29 CO -0.19 -0.55 1.86 0.03 0.23 0.00 0.00 176.35 177.74 1ia4 h ARG 30 N 7.81 1.03 -0.21 1.70 3.08 -2.00 -1.76 114.38 124.02 1ia4 h ARG 30 Ca -0.08 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 59.72 1ia4 h ARG 30 Cb 1.02 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1ia4 h ARG 30 CO 0.78 0.68 -0.62 0.87 -1.07 0.00 0.00 179.97 180.61 1ia4 h LYS 31 N 1.06 0.72 -0.83 0.04 1.57 -2.00 -3.01 116.57 114.13 1ia4 h LYS 31 Ca 0.40 -0.50 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1ia4 h LYS 31 Cb 0.17 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1ia4 h LYS 31 CO -0.17 1.12 0.47 1.49 -0.57 0.00 0.00 179.45 181.79 1ia4 h GLU 32 N 0.54 1.14 -0.48 3.15 4.22 -1.89 -1.68 114.58 119.59 1ia4 h GLU 32 Ca -0.01 -0.12 -0.05 0.00 0.08 0.00 0.00 59.36 59.26 1ia4 h GLU 32 Cb 1.21 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1ia4 h GLU 32 CO 0.13 0.83 0.08 0.82 -2.18 0.00 0.00 179.01 178.68 1ia4 h ILE 33 N 1.14 1.22 -0.24 2.32 2.04 -1.34 -1.09 117.51 121.57 1ia4 h ILE 33 Ca 0.29 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1ia4 h ILE 33 Cb 0.00 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1ia4 h ILE 33 CO -0.05 0.30 0.10 -0.09 0.00 0.00 0.00 178.15 178.41 1ia4 h ARG 34 N 0.71 0.35 -0.22 2.37 2.43 -1.23 -1.70 114.38 117.09 1ia4 h ARG 34 Ca 0.15 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1ia4 h ARG 34 Cb 0.32 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1ia4 h ARG 34 CO 0.00 0.38 0.04 -0.92 -1.51 0.00 0.00 179.97 177.97 1ia4 h TYR 35 N 0.24 0.07 -0.55 2.20 5.03 -1.01 0.15 116.97 123.10 1ia4 h TYR 35 Ca 0.08 0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.51 1ia4 h TYR 35 Cb 0.16 0.00 -0.09 0.00 1.55 0.00 0.00 36.73 38.35 1ia4 h TYR 35 CO -0.01 0.02 0.03 0.35 -1.32 0.00 0.00 178.16 177.23 1ia4 h PHE 36 N 0.13 0.02 0.23 -3.82 3.04 -1.02 0.10 116.94 115.62 1ia4 h PHE 36 Ca 0.10 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 1ia4 h PHE 36 Cb 0.10 0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.68 1ia4 h PHE 36 CO -0.15 -0.10 -0.11 -0.22 -2.02 0.00 0.00 178.31 175.70 1ia4 h LYS 37 N 0.15 -0.30 -0.55 1.11 3.64 -0.71 -1.78 116.57 118.14 1ia4 h LYS 37 Ca 0.28 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.70 1ia4 h LYS 37 Cb 0.43 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1ia4 h LYS 37 CO -0.44 -0.11 0.34 -0.44 -2.27 0.00 0.00 179.45 176.53 1ia4 h ASP 38 N -0.43 0.57 -0.36 4.20 3.45 -0.53 -1.57 116.42 121.76 1ia4 h ASP 38 Ca -0.03 -0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.36 1ia4 h ASP 38 Cb 0.32 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 1ia4 h ASP 38 CO 0.05 0.40 -0.02 0.58 -1.57 0.00 0.00 179.24 178.68 1ia4 h VAL 39 N 0.69 1.26 0.00 -1.35 2.07 -0.98 -0.70 116.25 117.24 1ia4 h VAL 39 Ca 0.22 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1ia4 h VAL 39 Cb -0.01 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1ia4 h VAL 39 CO -0.08 0.34 0.00 0.35 0.02 0.00 0.00 177.57 178.20 1ia4 n THR 40 N -4.47 0.68 -0.13 2.57 -2.24 -0.67 -3.95 114.28 106.07 1ia4 n THR 40 Ca -0.02 -0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.48 1ia4 n THR 40 Cb 0.29 -0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 67.59 1ia4 n THR 40 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ia4 n THR 41 N -2.22 1.52 -1.88 4.28 -2.24 -0.60 -4.57 114.28 108.57 1ia4 n THR 41 Ca 0.04 -0.49 -0.40 0.00 -2.27 0.00 0.00 64.05 60.93 1ia4 n THR 41 Cb 0.34 -1.62 0.01 0.00 -2.10 0.00 0.00 70.33 66.96 1ia4 n THR 41 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ia4 s ARG 42 N -2.51 3.85 0.10 -0.78 1.81 -0.28 -4.60 118.95 116.54 1ia4 s ARG 42 Ca -0.36 2.36 0.02 0.00 -1.72 0.00 0.00 55.73 56.04 1ia4 s ARG 42 Cb 0.11 -2.74 -0.04 0.00 -0.45 0.00 0.00 34.95 31.82 1ia4 s ARG 42 CO 0.57 -0.67 -0.07 0.95 -0.68 0.00 0.00 175.30 175.40 1ia4 s THR 43 N -1.20 0.79 -0.14 0.02 -4.23 -1.26 -4.88 115.64 104.73 1ia4 s THR 43 Ca 0.58 -1.91 0.08 0.00 -1.18 0.00 0.00 61.69 59.26 1ia4 s THR 43 Cb -0.42 -1.66 -0.14 0.00 1.34 0.00 0.00 72.50 71.61 1ia4 s THR 43 CO 0.55 -0.82 -0.02 0.35 -0.54 0.00 0.00 174.62 174.15 1ia4 n THR 44 N 0.01 0.92 -2.01 3.99 -2.24 -1.26 -5.00 114.28 108.69 1ia4 n THR 44 Ca -0.12 -0.49 -0.31 0.00 -2.27 0.00 0.00 64.05 60.85 1ia4 n THR 44 Cb 0.60 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1ia4 n THR 44 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ia4 s LYS 45 N -2.32 3.62 0.00 -0.78 3.01 -1.26 -5.04 119.74 116.97 1ia4 s LYS 45 Ca -0.12 0.86 0.00 0.00 -1.01 0.00 0.00 55.97 55.70 1ia4 s LYS 45 Cb 0.04 -2.08 0.00 0.00 -1.01 0.00 0.00 37.83 34.78 1ia4 s LYS 45 CO 0.49 -0.55 0.95 -0.35 0.51 0.00 0.00 175.35 176.40 1ia4 n PRO 46 N -2.40 0.00 -1.22 -1.68 -0.04 -1.26 -3.93 135.00 124.47 1ia4 n PRO 46 Ca 0.06 0.49 -0.30 0.00 -0.04 0.00 0.00 63.50 63.72 1ia4 n PRO 46 Cb 0.54 -1.47 0.09 0.00 -0.04 0.00 0.00 33.50 32.62 1ia4 n PRO 46 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ia4 n ASN 47 N -1.96 6.72 -4.69 3.54 3.02 -1.26 -4.96 115.26 115.67 1ia4 n ASN 47 Ca 0.00 -3.62 -0.27 0.00 -0.03 0.00 0.00 54.58 50.66 1ia4 n ASN 47 Cb 0.00 -0.96 -0.09 0.00 -0.61 0.00 0.00 39.78 38.13 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 -4.09 2.00 0.20 3.41 -4.23 -1.25 -4.89 115.64 106.78 1ia4 s THR 48 Ca 0.57 -1.87 -0.08 0.00 -1.18 0.00 0.00 61.69 59.13 1ia4 s THR 48 Cb 0.46 -2.87 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 1ia4 s THR 48 CO 0.01 0.00 0.31 0.00 -0.54 0.00 0.00 174.62 174.41 1ia4 s ARG 49 N -3.83 1.30 0.35 3.99 1.70 -1.12 -4.93 118.95 116.41 1ia4 s ARG 49 Ca 0.34 -1.31 0.07 0.00 -0.47 0.00 0.00 55.73 54.36 1ia4 s ARG 49 Cb 0.06 0.38 -0.01 0.00 -0.57 0.00 0.00 34.95 34.82 1ia4 s ARG 49 CO 0.18 -0.49 0.46 -0.80 -1.08 0.00 0.00 175.30 173.57 1ia4 s ASN 50 N -3.03 5.85 0.03 -2.89 0.01 -1.26 -0.29 114.94 113.35 1ia4 s ASN 50 Ca 0.24 -0.26 0.06 0.00 -0.71 0.00 0.00 52.86 52.20 1ia4 s ASN 50 Cb 0.03 -1.12 -0.03 0.00 0.41 0.00 0.00 41.25 40.54 1ia4 s ASN 50 CO 0.06 -0.47 -0.16 0.00 -1.51 0.00 0.00 177.10 175.02 1ia4 s ALA 51 N -2.21 2.66 -0.10 0.60 0.00 -0.09 -1.41 121.76 121.20 1ia4 s ALA 51 Ca 0.46 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1ia4 s ALA 51 Cb -0.09 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 1ia4 s ALA 51 CO 0.31 0.58 -0.15 0.14 0.00 0.00 0.00 175.76 176.64 1ia4 s VAL 52 N -0.91 2.92 -0.11 0.00 -7.23 0.20 -1.35 120.40 113.92 1ia4 s VAL 52 Ca 0.15 -0.73 -0.01 0.00 -1.81 0.00 0.00 61.98 59.58 1ia4 s VAL 52 Cb -0.11 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 1ia4 s VAL 52 CO 0.05 0.55 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.68 1ia4 s ILE 53 N 0.01 3.59 0.05 -0.62 1.01 0.85 -0.87 121.20 125.22 1ia4 s ILE 53 Ca -0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 1ia4 s ILE 53 Cb -0.14 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1ia4 s ILE 53 CO 0.04 0.54 -0.00 0.00 0.00 0.00 0.00 174.94 175.52 1ia4 s MET 54 N -0.10 0.57 0.69 2.79 0.23 -0.29 -0.70 119.30 122.49 1ia4 s MET 54 Ca 0.01 -1.06 -0.11 0.00 -1.03 0.00 0.00 55.69 53.50 1ia4 s MET 54 Cb -0.13 0.20 0.00 0.00 -1.53 0.00 0.00 34.83 33.37 1ia4 s MET 54 CO 0.03 -0.11 1.06 0.20 -2.03 0.00 0.00 175.02 174.16 1ia4 s GLY 55 N -2.60 1.66 0.26 3.16 0.00 -0.63 -1.78 107.32 107.39 1ia4 s GLY 55 Ca 0.02 -0.00 -0.04 0.00 0.00 0.00 0.00 44.72 44.69 1ia4 s GLY 55 CO -0.08 0.31 1.86 -0.09 0.00 0.00 0.00 173.10 175.10 1ia4 h ARG 56 N -0.66 1.09 -0.76 2.90 2.43 -1.69 -2.38 114.38 115.32 1ia4 h ARG 56 Ca -0.44 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 58.53 1ia4 h ARG 56 Cb 1.21 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 1ia4 h ARG 56 CO 0.58 0.84 0.28 0.87 -1.51 0.00 0.00 179.97 181.04 1ia4 h LYS 57 N 1.09 1.14 -0.32 0.20 1.57 -1.93 -1.86 116.57 116.46 1ia4 h LYS 57 Ca 0.27 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1ia4 h LYS 57 Cb 0.10 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1ia4 h LYS 57 CO -0.03 0.94 0.10 1.15 -0.57 0.00 0.00 179.45 181.04 1ia4 h THR 58 N 1.10 1.20 -0.39 -0.16 2.02 -1.84 -1.67 112.91 113.17 1ia4 h THR 58 Ca 0.25 -0.65 0.08 0.00 0.77 0.00 0.00 66.41 66.87 1ia4 h THR 58 Cb 0.24 1.03 -0.08 0.00 -1.74 0.00 0.00 68.15 67.60 1ia4 h THR 58 CO -0.02 0.22 -0.17 -0.25 0.37 0.00 0.00 175.52 175.67 1ia4 h TRP 59 N 0.36 -0.43 0.00 3.16 2.91 -1.16 -0.82 115.95 119.97 1ia4 h TRP 59 Ca 0.10 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.15 1ia4 h TRP 59 Cb 0.24 0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 29.13 1ia4 h TRP 59 CO 0.00 -0.25 -0.05 0.93 -1.03 0.00 0.00 178.44 178.04 1ia4 h GLU 60 N -0.10 0.00 0.00 2.65 5.08 -1.16 -2.00 114.58 119.05 1ia4 h GLU 60 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1ia4 h GLU 60 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1ia4 h GLU 60 CO -0.46 0.05 -0.08 0.66 -1.00 0.00 0.00 179.01 178.18 1ia4 h SER 61 N 0.00 0.00 -3.48 1.42 4.64 -0.17 -3.44 113.55 112.52 1ia4 h SER 61 Ca -0.00 -0.02 -0.53 0.00 -0.47 0.00 0.00 61.79 60.77 1ia4 h SER 61 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1ia4 h SER 61 CO 0.01 0.01 0.38 -0.63 -0.87 0.00 0.00 176.83 175.73 1ia4 s ILE 62 N -3.14 4.58 0.23 0.95 1.01 -0.75 -4.98 121.20 119.10 1ia4 s ILE 62 Ca 0.09 2.01 -0.31 0.00 0.00 0.00 0.00 60.65 62.44 1ia4 s ILE 62 Cb 0.10 -4.28 -0.14 0.00 0.01 0.00 0.00 42.46 38.15 1ia4 s ILE 62 CO 0.63 0.24 1.33 -2.65 0.00 0.00 0.00 174.94 174.50 1ia4 n PRO 63 N 3.27 1.83 -0.28 2.79 -0.02 -1.26 -4.82 135.00 136.51 1ia4 n PRO 63 Ca 0.04 0.65 0.24 0.00 -2.02 0.00 0.00 63.50 62.41 1ia4 n PRO 63 Cb 0.50 -2.26 0.58 0.00 -0.02 0.00 0.00 33.50 32.29 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 3.86 0.28 0.00 -0.52 3.07 -1.93 0.47 115.11 120.34 1ia4 h GLN 64 Ca -0.44 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.28 1ia4 h GLN 64 Cb 1.29 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.79 1ia4 h GLN 64 CO 0.73 0.18 0.00 0.87 0.09 0.00 0.00 178.83 180.71 1ia4 h LYS 65 N 0.28 0.00 -0.73 0.06 6.56 -2.02 -3.10 116.57 117.63 1ia4 h LYS 65 Ca 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.12 1ia4 h LYS 65 Cb 1.54 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.20 1ia4 h LYS 65 CO -0.18 0.00 0.00 1.19 -2.06 0.00 0.00 179.45 178.40 1ia4 n PHE 66 N -3.07 1.05 -4.87 -1.35 3.72 0.16 -4.90 117.46 108.20 1ia4 n PHE 66 Ca 0.01 -0.50 -0.28 0.00 -0.05 0.00 0.00 57.45 56.63 1ia4 n PHE 66 Cb 0.36 -0.03 -0.15 0.00 -0.94 0.00 0.00 39.48 38.72 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 -1.13 1.65 0.74 -1.08 1.70 -1.17 -4.17 118.95 115.48 1ia4 s ARG 67 Ca 0.49 -0.95 -0.11 0.00 -0.47 0.00 0.00 55.73 54.69 1ia4 s ARG 67 Cb 0.26 -1.73 0.03 0.00 -0.57 0.00 0.00 34.95 32.95 1ia4 s ARG 67 CO 0.32 0.45 1.07 -1.25 -1.08 0.00 0.00 175.30 174.82 1ia4 s PRO 68 N -1.00 2.59 0.10 3.89 0.04 -1.26 -4.97 135.00 134.39 1ia4 s PRO 68 Ca 0.09 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 61.67 1ia4 s PRO 68 Cb -0.09 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 1ia4 s PRO 68 CO 0.01 -1.32 1.80 -0.51 0.04 0.00 0.00 177.00 177.02 1ia4 s LEU 69 N -5.65 4.39 0.63 -3.56 1.43 -1.26 -4.91 118.68 109.75 1ia4 s LEU 69 Ca 0.59 2.69 -0.16 0.00 -1.03 0.00 0.00 54.13 56.22 1ia4 s LEU 69 Cb -0.14 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 1ia4 s LEU 69 CO 0.55 -0.98 1.13 -2.16 0.23 0.00 0.00 176.35 175.12 1ia4 s PRO 70 N 2.85 2.88 -0.22 1.29 0.04 -1.26 -3.61 135.00 136.96 1ia4 s PRO 70 Ca 0.80 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1ia4 s PRO 70 Cb -0.44 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1ia4 s PRO 70 CO 0.36 -1.21 0.00 -0.25 0.04 0.00 0.00 177.00 175.94 1ia4 n ASP 71 N -2.09 -4.56 -3.95 6.66 8.00 -1.26 -4.99 116.55 114.36 1ia4 n ASP 71 Ca 0.11 0.05 -0.10 0.00 0.71 0.00 0.00 54.79 55.57 1ia4 n ASP 71 Cb 0.51 -2.24 -0.11 0.00 -0.02 0.00 0.00 41.12 39.26 1ia4 n ASP 71 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ia4 s ARG 72 N -1.42 0.39 -0.07 -1.24 0.52 -1.24 -4.53 118.95 111.37 1ia4 s ARG 72 Ca 0.00 -0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 54.34 1ia4 s ARG 72 Cb 0.00 0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.58 1ia4 s ARG 72 CO 0.00 -0.08 1.32 -1.17 0.02 0.00 0.00 175.30 175.40 1ia4 s LEU 73 N -1.53 4.27 -0.14 2.53 2.96 -0.50 -4.81 118.68 121.46 1ia4 s LEU 73 Ca -0.14 1.92 -0.15 0.00 -0.22 0.00 0.00 54.13 55.54 1ia4 s LEU 73 Cb -0.08 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1ia4 s LEU 73 CO -0.01 -0.71 0.34 0.20 -1.32 0.00 0.00 176.35 174.85 1ia4 s ASN 74 N 1.91 6.51 -0.11 3.68 0.02 0.42 -0.63 114.94 126.74 1ia4 s ASN 74 Ca 0.60 0.59 0.03 0.00 -1.02 0.00 0.00 52.86 53.07 1ia4 s ASN 74 Cb -0.27 -2.21 0.00 0.00 0.02 0.00 0.00 41.25 38.80 1ia4 s ASN 74 CO 0.22 0.10 -0.23 -0.63 0.02 0.00 0.00 177.10 176.58 1ia4 s ILE 75 N 0.39 2.12 -0.17 0.60 1.01 -0.05 -1.48 121.20 123.63 1ia4 s ILE 75 Ca 0.19 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 1ia4 s ILE 75 Cb -0.14 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 1ia4 s ILE 75 CO 0.06 0.55 -0.11 -0.63 0.00 0.00 0.00 174.94 174.81 1ia4 s ILE 76 N 0.49 3.00 -0.12 2.92 1.09 -0.34 -1.14 121.20 127.10 1ia4 s ILE 76 Ca -0.15 -0.65 -0.12 0.00 -1.10 0.00 0.00 60.65 58.63 1ia4 s ILE 76 Cb -0.17 -2.30 -0.05 0.00 -1.06 0.00 0.00 42.46 38.88 1ia4 s ILE 76 CO 0.05 0.49 0.26 -0.76 -0.10 0.00 0.00 174.94 174.88 1ia4 s LEU 77 N 0.88 4.32 -0.10 2.97 1.43 -0.73 -1.60 118.68 125.85 1ia4 s LEU 77 Ca -0.03 0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 53.50 1ia4 s LEU 77 Cb -0.15 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 43.80 1ia4 s LEU 77 CO -0.00 0.24 0.32 -0.55 0.23 0.00 0.00 176.35 176.59 1ia4 s SER 78 N -0.25 -0.30 0.56 2.29 0.15 -0.67 -1.68 113.70 113.79 1ia4 s SER 78 Ca 0.17 0.52 0.34 0.00 0.70 0.00 0.00 55.95 57.67 1ia4 s SER 78 Cb -0.13 0.59 1.49 0.00 -1.71 0.00 0.00 66.02 66.25 1ia4 s SER 78 CO 0.05 -0.20 2.03 0.03 1.20 0.00 0.00 173.24 176.36 1ia4 h ARG 79 N 5.20 0.00 -0.01 5.44 3.08 -1.85 -2.84 114.38 123.40 1ia4 h ARG 79 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1ia4 h ARG 79 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1ia4 h ARG 79 CO 0.32 0.03 -0.24 -1.13 -1.07 0.00 0.00 179.97 177.88 1ia4 n SER 80 N -3.16 0.91 -4.85 7.04 3.41 -1.26 -4.96 113.62 110.76 1ia4 n SER 80 Ca -0.00 -0.81 -0.33 0.00 -0.26 0.00 0.00 58.87 57.47 1ia4 n SER 80 Cb 0.28 0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.28 1ia4 n SER 80 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1ia4 s TYR 81 N -2.52 3.45 0.35 7.33 2.02 -1.07 -5.08 117.35 121.82 1ia4 s TYR 81 Ca 0.24 1.09 -0.08 0.00 -0.37 0.00 0.00 57.07 57.96 1ia4 s TYR 81 Cb 0.19 -2.42 -0.06 0.00 -0.40 0.00 0.00 41.96 39.27 1ia4 s TYR 81 CO 0.52 0.23 0.66 -1.21 -1.57 0.00 0.00 175.55 174.18 1ia4 s GLU 82 N -2.68 3.71 -0.32 -0.62 0.41 -1.26 -3.95 118.70 113.98 1ia4 s GLU 82 Ca 0.48 0.24 -0.29 0.00 -0.41 0.00 0.00 54.97 55.00 1ia4 s GLU 82 Cb -0.12 -2.52 0.01 0.00 -1.78 0.00 0.00 34.13 29.73 1ia4 s GLU 82 CO 0.19 0.09 1.12 -0.80 -0.49 0.00 0.00 175.26 175.37 1ia4 s ASN 83 N -3.15 6.87 -0.22 -0.19 0.01 -1.26 -4.05 114.94 112.96 1ia4 s ASN 83 Ca 0.48 1.05 -0.24 0.00 -0.71 0.00 0.00 52.86 53.44 1ia4 s ASN 83 Cb -0.10 -2.54 0.06 0.00 0.41 0.00 0.00 41.25 39.08 1ia4 s ASN 83 CO 0.30 -0.93 0.65 -0.70 -1.51 0.00 0.00 177.10 174.91 1ia4 s GLU 84 N 3.79 0.80 -0.40 -0.60 2.12 -0.50 -5.02 118.70 118.89 1ia4 s GLU 84 Ca 0.48 0.80 -0.23 0.00 0.36 0.00 0.00 54.97 56.38 1ia4 s GLU 84 Cb -0.13 0.39 0.02 0.00 0.26 0.00 0.00 34.13 34.67 1ia4 s GLU 84 CO 0.18 -0.12 0.77 0.42 -0.54 0.00 0.00 175.26 175.96 1ia4 s ILE 85 N 0.11 4.71 -0.07 -3.70 1.01 -1.26 -0.47 121.20 121.52 1ia4 s ILE 85 Ca -0.02 0.64 -0.14 0.00 0.00 0.00 0.00 60.65 61.13 1ia4 s ILE 85 Cb -0.04 -4.25 -0.10 0.00 0.01 0.00 0.00 42.46 38.08 1ia4 s ILE 85 CO 0.02 -0.55 0.54 0.40 0.00 0.00 0.00 174.94 175.35 1ia4 h ILE 86 N 5.85 0.47 -2.17 2.92 1.08 -1.54 -3.49 117.51 120.63 1ia4 h ILE 86 Ca -0.25 -1.08 -0.03 0.00 -0.39 0.00 0.00 64.86 63.12 1ia4 h ILE 86 Cb 1.09 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 35.67 1ia4 h ILE 86 CO 0.93 0.14 -0.02 -0.90 -0.69 0.00 0.00 178.15 177.61 1ia4 n ASP 87 N -4.91 -0.09 0.01 1.72 3.85 -1.11 -4.98 116.55 111.04 1ia4 n ASP 87 Ca -0.05 -1.15 0.06 0.00 -0.71 0.00 0.00 54.79 52.93 1ia4 n ASP 87 Cb 0.20 0.18 0.25 0.00 -1.35 0.00 0.00 41.12 40.40 1ia4 n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1ia4 n ASP 88 N -2.30 0.06 -0.04 -1.12 4.64 -1.26 -2.84 116.55 113.69 1ia4 n ASP 88 Ca 0.00 0.52 0.02 0.00 -1.38 0.00 0.00 54.79 53.95 1ia4 n ASP 88 Cb 0.05 -0.53 -0.02 0.00 -1.04 0.00 0.00 41.12 39.58 1ia4 n ASP 88 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 1ia4 n ASN 89 N -1.57 0.45 -4.05 1.67 3.02 -1.26 -4.90 115.26 108.62 1ia4 n ASN 89 Ca 0.02 -0.73 -0.23 0.00 -0.03 0.00 0.00 54.58 53.61 1ia4 n ASN 89 Cb 0.13 0.82 -0.16 0.00 -0.61 0.00 0.00 39.78 39.96 1ia4 n ASN 89 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ia4 s ILE 90 N -1.29 1.09 -0.00 2.41 1.01 -1.13 -0.43 121.20 122.86 1ia4 s ILE 90 Ca 0.03 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.21 1ia4 s ILE 90 Cb 0.04 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 1ia4 s ILE 90 CO 0.18 0.33 -0.17 -0.63 0.00 0.00 0.00 174.94 174.65 1ia4 s ILE 91 N 0.24 1.31 -0.07 2.92 1.01 -0.55 -1.24 121.20 124.82 1ia4 s ILE 91 Ca -0.06 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1ia4 s ILE 91 Cb -0.11 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1ia4 s ILE 91 CO 0.02 0.32 -0.10 -1.00 0.00 0.00 0.00 174.94 174.18 1ia4 s HIS 92 N -0.46 2.85 0.20 3.97 3.76 0.38 -1.19 115.29 124.79 1ia4 s HIS 92 Ca 0.06 -0.11 -0.16 0.00 -0.15 0.00 0.00 55.06 54.71 1ia4 s HIS 92 Cb -0.07 -1.71 0.02 0.00 1.11 0.00 0.00 32.58 31.93 1ia4 s HIS 92 CO -0.00 0.22 0.48 0.00 -0.85 0.00 0.00 174.74 174.59 1ia4 s ALA 93 N -0.63 -0.70 -1.46 -1.40 0.00 -0.63 -1.40 121.76 115.53 1ia4 s ALA 93 Ca 0.09 -0.42 0.12 0.00 0.00 0.00 0.00 51.96 51.75 1ia4 s ALA 93 Cb -0.11 0.88 0.10 0.00 0.00 0.00 0.00 23.12 23.98 1ia4 s ALA 93 CO 0.01 -0.79 0.88 -1.13 0.00 0.00 0.00 175.76 174.74 1ia4 n SER 94 N -0.33 2.01 -3.61 0.00 3.41 -1.25 -1.68 113.62 112.17 1ia4 n SER 94 Ca -0.08 -1.51 -0.13 0.00 -0.26 0.00 0.00 58.87 56.89 1ia4 n SER 94 Cb 0.62 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.51 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 -0.98 -0.37 0.10 4.04 1.04 -1.26 -4.73 113.70 111.54 1ia4 s SER 95 Ca 0.14 0.11 -0.20 0.00 0.48 0.00 0.00 55.95 56.49 1ia4 s SER 95 Cb 0.10 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 66.61 1ia4 s SER 95 CO 0.15 -0.69 1.68 -0.29 0.98 0.00 0.00 173.24 175.07 1ia4 h ILE 96 N 2.90 1.13 -0.55 -1.02 2.10 -2.00 -1.36 117.51 118.72 1ia4 h ILE 96 Ca -0.31 -0.38 -0.05 0.00 1.08 0.00 0.00 64.86 65.19 1ia4 h ILE 96 Cb 1.21 0.99 -0.03 0.00 -1.09 0.00 0.00 36.82 37.91 1ia4 h ILE 96 CO 0.42 0.13 0.13 -0.08 -1.08 0.00 0.00 178.15 177.67 1ia4 h GLU 97 N 0.22 0.84 -0.43 2.19 4.81 -2.00 -2.25 114.58 117.96 1ia4 h GLU 97 Ca 0.07 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 59.00 1ia4 h GLU 97 Cb 0.11 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1ia4 h GLU 97 CO -0.01 0.76 -0.24 0.77 -0.73 0.00 0.00 179.01 179.56 1ia4 h SER 98 N 0.81 0.92 -0.62 1.04 0.02 -1.95 -2.87 113.55 110.91 1ia4 h SER 98 Ca 0.18 -0.35 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 1ia4 h SER 98 Cb 0.30 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1ia4 h SER 98 CO -0.00 1.12 0.25 0.77 -1.14 0.00 0.00 176.83 177.82 1ia4 h SER 99 N 0.77 0.89 0.62 3.07 4.64 -0.75 -2.69 113.55 120.10 1ia4 h SER 99 Ca 0.10 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 1ia4 h SER 99 Cb 0.80 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1ia4 h SER 99 CO 0.07 0.80 -0.20 -0.07 -0.87 0.00 0.00 176.83 176.56 1ia4 h LEU 100 N 0.95 0.00 -2.14 5.97 3.38 -1.21 -0.66 115.31 121.60 1ia4 h LEU 100 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1ia4 h LEU 100 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ia4 h LEU 100 CO -0.02 0.20 0.00 0.78 0.09 0.00 0.00 178.44 179.50 1ia4 h ASN 101 N 0.00 0.00 0.03 -0.43 2.35 -1.31 -1.76 115.58 114.47 1ia4 h ASN 101 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ia4 h ASN 101 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1ia4 h ASN 101 CO 0.03 0.00 -0.06 0.18 -1.65 0.00 0.00 177.43 175.92 1ia4 n LEU 102 N -3.08 1.58 -4.59 1.61 7.99 -0.25 -4.35 117.00 115.91 1ia4 n LEU 102 Ca -0.01 -0.51 -0.27 0.00 -0.01 0.00 0.00 56.01 55.21 1ia4 n LEU 102 Cb 0.20 -0.02 -0.09 0.00 -0.11 0.00 0.00 43.42 43.39 1ia4 n LEU 102 CO 0.24 0.27 -0.40 0.68 -1.51 0.00 0.00 177.39 176.67 1ia4 s VAL 103 N -2.11 3.30 0.07 4.08 -7.23 -1.09 -5.00 120.40 112.43 1ia4 s VAL 103 Ca 0.34 -1.55 -0.12 0.00 -1.81 0.00 0.00 61.98 58.84 1ia4 s VAL 103 Cb 0.20 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.53 1ia4 s VAL 103 CO 0.37 -0.07 0.26 -0.94 -0.31 0.00 0.00 175.10 174.41 1ia4 s SER 104 N -2.74 -0.03 -0.98 4.85 1.04 -1.26 -1.03 113.70 113.54 1ia4 s SER 104 Ca 0.25 -0.37 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 1ia4 s SER 104 Cb -0.09 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.39 1ia4 s SER 104 CO 0.15 -0.66 0.86 -0.90 0.98 0.00 0.00 173.24 173.67 1ia4 n ASP 105 N 0.32 -4.89 -4.33 7.02 5.68 -1.26 -5.01 116.55 114.09 1ia4 n ASP 105 Ca -0.17 -0.40 -0.32 0.00 -0.50 0.00 0.00 54.79 53.39 1ia4 n ASP 105 Cb 0.61 -3.83 -0.15 0.00 -1.14 0.00 0.00 41.12 36.60 1ia4 n ASP 105 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ia4 s VAL 106 N -3.24 2.66 0.00 2.12 1.01 -1.26 -2.78 120.40 118.92 1ia4 s VAL 106 Ca 0.39 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1ia4 s VAL 106 Cb -0.17 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1ia4 s VAL 106 CO 0.53 0.55 0.00 1.21 0.00 0.00 0.00 175.10 177.39 1ia4 n GLU 107 N 3.34 0.00 -4.31 2.72 2.13 0.60 -4.91 120.64 120.22 1ia4 n GLU 107 Ca -0.18 0.26 -0.24 0.00 0.66 0.00 0.00 57.16 57.66 1ia4 n GLU 107 Cb 0.53 -0.75 -0.08 0.00 0.27 0.00 0.00 31.44 31.41 1ia4 n GLU 107 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1ia4 s ARG 108 N -0.94 2.15 -0.08 5.31 0.52 -1.26 -5.03 118.95 119.62 1ia4 s ARG 108 Ca 0.00 -1.59 0.04 0.00 -0.52 0.00 0.00 55.73 53.66 1ia4 s ARG 108 Cb 0.00 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1ia4 s ARG 108 CO 0.00 0.25 -0.20 0.54 0.02 0.00 0.00 175.30 175.91 1ia4 s VAL 109 N -2.43 1.76 -0.04 3.52 0.11 -1.26 -0.92 120.40 121.14 1ia4 s VAL 109 Ca 0.33 -0.86 0.05 0.00 -2.93 0.00 0.00 61.98 58.57 1ia4 s VAL 109 Cb -0.04 -1.53 -0.00 0.00 -1.53 0.00 0.00 36.38 33.28 1ia4 s VAL 109 CO 0.19 0.49 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.92 1ia4 s PHE 110 N 0.31 1.77 -0.10 1.54 0.08 -0.45 -1.45 117.98 119.68 1ia4 s PHE 110 Ca -0.14 -0.50 -0.19 0.00 0.12 0.00 0.00 56.93 56.22 1ia4 s PHE 110 Cb -0.16 -1.19 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 1ia4 s PHE 110 CO 0.06 -0.16 0.53 0.42 -0.10 0.00 0.00 175.22 175.97 1ia4 s ILE 111 N -0.01 5.14 -0.55 0.64 1.01 0.15 -0.10 121.20 127.47 1ia4 s ILE 111 Ca -0.03 1.06 0.12 0.00 0.00 0.00 0.00 60.65 61.80 1ia4 s ILE 111 Cb -0.11 -3.86 -0.13 0.00 0.01 0.00 0.00 42.46 38.36 1ia4 s ILE 111 CO 0.02 0.33 0.50 2.30 0.00 0.00 0.00 174.94 178.09 1ia4 n ILE 112 N 3.57 0.00 0.00 2.92 -5.35 0.12 -1.84 119.36 118.79 1ia4 n ILE 112 Ca -0.06 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1ia4 n ILE 112 Cb 0.52 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 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 1.30 1.26 0.00 3.28 0.00 -1.25 -4.88 105.19 104.89 1ia4 n GLY 113 Ca 0.02 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.97 1.47 0.13 -0.02 0.00 -1.26 -1.61 105.19 101.94 1ia4 n GLY 114 Ca 0.00 -1.72 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.44 0.18 -0.67 4.61 0.00 -1.98 -0.37 119.26 119.59 1ia4 h ALA 115 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ia4 h ALA 115 Cb 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1ia4 h ALA 115 CO 0.00 -0.47 0.16 1.49 0.00 0.00 0.00 179.25 180.43 1ia4 h GLU 116 N -0.00 1.08 -0.22 0.00 4.81 -1.97 -1.59 114.58 116.68 1ia4 h GLU 116 Ca 0.13 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1ia4 h GLU 116 Cb 0.20 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1ia4 h GLU 116 CO -0.28 0.96 0.07 0.82 -0.73 0.00 0.00 179.01 179.85 1ia4 h ILE 117 N 1.00 0.94 0.08 2.32 1.08 -1.70 -1.69 117.51 119.54 1ia4 h ILE 117 Ca 0.21 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.64 1ia4 h ILE 117 Cb 0.37 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 1ia4 h ILE 117 CO 0.00 0.03 -0.24 1.88 -0.69 0.00 0.00 178.15 179.13 1ia4 h TYR 118 N 0.17 -0.64 -0.08 1.37 0.05 -0.90 -1.17 116.97 115.77 1ia4 h TYR 118 Ca 0.10 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 1ia4 h TYR 118 Cb 0.07 0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1ia4 h TYR 118 CO -0.13 -0.34 -0.11 -0.91 -1.05 0.00 0.00 178.16 175.62 1ia4 h ASN 119 N -0.42 0.11 0.11 3.88 2.35 -1.13 -2.26 115.58 118.21 1ia4 h ASN 119 Ca 0.04 -0.02 -0.28 0.00 -0.55 0.00 0.00 56.30 55.49 1ia4 h ASN 119 Cb 0.46 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1ia4 h ASN 119 CO -0.16 0.24 -1.45 -0.08 -1.65 0.00 0.00 177.43 174.33 1ia4 h GLU 120 N 0.12 0.22 0.00 0.81 4.57 -1.19 -3.39 114.58 115.72 1ia4 h GLU 120 Ca 0.03 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 1ia4 h GLU 120 Cb 0.28 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1ia4 h GLU 120 CO 0.02 1.18 0.00 1.28 -1.18 0.00 0.00 179.01 180.31 1ia4 n LEU 121 N -3.92 0.68 0.26 1.64 4.32 -0.45 -3.08 117.00 116.45 1ia4 n LEU 121 Ca -0.26 0.57 0.11 0.00 -0.02 0.00 0.00 56.01 56.41 1ia4 n LEU 121 Cb 0.89 -0.36 0.72 0.00 -1.62 0.00 0.00 43.42 43.05 1ia4 n LEU 121 CO 0.39 -0.18 1.03 -0.29 -1.22 0.00 0.00 177.39 177.12 1ia4 h ILE 122 N 0.00 0.78 -0.23 -0.08 6.09 -1.59 -0.60 117.51 121.87 1ia4 h ILE 122 Ca 0.00 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 1ia4 h ILE 122 Cb 0.67 1.16 0.00 0.00 0.47 0.00 0.00 36.82 39.12 1ia4 h ILE 122 CO 0.00 0.07 0.00 0.59 -3.07 0.00 0.00 178.15 175.74 1ia4 n ASN 123 N -4.07 1.90 -4.68 2.19 3.02 -1.18 -4.83 115.26 107.61 1ia4 n ASN 123 Ca -0.03 -1.80 -0.39 0.00 -0.03 0.00 0.00 54.58 52.34 1ia4 n ASN 123 Cb 0.16 -0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1ia4 n ASN 123 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ia4 s ASN 124 N -1.44 6.65 0.00 6.41 3.84 -0.24 -4.96 114.94 125.20 1ia4 s ASN 124 Ca 0.31 0.78 0.10 0.00 0.21 0.00 0.00 52.86 54.26 1ia4 s ASN 124 Cb 0.17 -2.31 0.50 0.00 -0.55 0.00 0.00 41.25 39.06 1ia4 s ASN 124 CO 0.25 -0.15 1.20 -1.54 -2.79 0.00 0.00 177.10 174.08 1ia4 n SER 125 N 4.47 0.00 0.22 -4.21 3.41 -1.26 -1.24 113.62 115.01 1ia4 n SER 125 Ca -0.04 0.15 0.08 0.00 -0.26 0.00 0.00 58.87 58.80 1ia4 n SER 125 Cb 0.51 -0.29 0.49 0.00 -0.26 0.00 0.00 64.21 64.66 1ia4 n SER 125 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ia4 h LEU 126 N 0.00 0.00 -8.88 1.04 3.38 -1.92 -3.41 115.31 105.52 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 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1ia4 h LEU 126 CO 0.00 0.26 1.06 -0.69 0.09 0.00 0.00 178.44 179.16 1ia4 s VAL 127 N -3.87 3.93 -0.09 1.22 1.01 -0.38 -1.36 120.40 120.87 1ia4 s VAL 127 Ca -0.01 1.00 0.13 0.00 0.00 0.00 0.00 61.98 63.09 1ia4 s VAL 127 Cb 0.12 -4.10 -0.19 0.00 0.00 0.00 0.00 36.38 32.21 1ia4 s VAL 127 CO 0.65 -0.59 0.15 -1.54 0.00 0.00 0.00 175.10 173.76 1ia4 n SER 128 N 8.47 1.74 -4.10 3.32 3.41 -0.11 -4.91 113.62 121.45 1ia4 n SER 128 Ca 0.17 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.63 1ia4 n SER 128 Cb 0.47 1.14 -0.12 0.00 -0.26 0.00 0.00 64.21 65.45 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 -2.57 0.86 -0.10 7.33 3.76 -1.18 -4.09 115.29 119.29 1ia4 s HIS 129 Ca -0.06 -0.49 0.03 0.00 -0.15 0.00 0.00 55.06 54.39 1ia4 s HIS 129 Cb 0.06 -0.50 0.01 0.00 1.11 0.00 0.00 32.58 33.26 1ia4 s HIS 129 CO 0.56 -0.04 -0.20 -0.51 -0.85 0.00 0.00 174.74 173.71 1ia4 s LEU 130 N -1.65 1.94 -0.45 0.89 1.43 -0.49 -1.29 118.68 119.05 1ia4 s LEU 130 Ca -0.07 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 52.50 1ia4 s LEU 130 Cb -0.10 -1.24 0.12 0.00 0.03 0.00 0.00 46.19 45.01 1ia4 s LEU 130 CO 0.01 0.10 0.26 -0.76 0.23 0.00 0.00 176.35 176.19 1ia4 s LEU 131 N 0.58 5.32 -0.24 1.79 1.02 0.34 -0.96 118.68 126.52 1ia4 s LEU 131 Ca -0.14 -2.14 -0.07 0.00 0.02 0.00 0.00 54.13 51.80 1ia4 s LEU 131 Cb -0.17 -1.86 -0.03 0.00 0.02 0.00 0.00 46.19 44.16 1ia4 s LEU 131 CO 0.05 -0.54 0.06 -0.63 0.02 0.00 0.00 176.35 175.30 1ia4 s ILE 132 N 0.99 4.20 -0.34 -0.59 1.01 -1.06 -1.33 121.20 124.08 1ia4 s ILE 132 Ca 0.09 -0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.30 1ia4 s ILE 132 Cb -0.23 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.29 1ia4 s ILE 132 CO -0.04 0.35 0.78 -0.89 0.00 0.00 0.00 174.94 175.15 1ia4 s THR 133 N 1.56 4.76 -0.31 2.92 2.01 -0.04 -1.97 115.64 124.57 1ia4 s THR 133 Ca 0.06 0.98 -0.18 0.00 0.31 0.00 0.00 61.69 62.86 1ia4 s THR 133 Cb -0.15 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.16 1ia4 s THR 133 CO 0.03 -0.36 0.54 -1.61 -0.69 0.00 0.00 174.62 172.53 1ia4 s GLU 134 N 3.04 3.86 -0.01 4.92 2.02 0.40 -1.25 118.70 131.68 1ia4 s GLU 134 Ca 0.31 0.13 -0.01 0.00 0.02 0.00 0.00 54.97 55.42 1ia4 s GLU 134 Cb -0.14 -3.73 -0.04 0.00 0.10 0.00 0.00 34.13 30.33 1ia4 s GLU 134 CO 0.15 -0.51 0.12 0.42 0.02 0.00 0.00 175.26 175.46 1ia4 s ILE 135 N 2.42 5.00 0.03 -1.63 1.01 -0.44 -1.82 121.20 125.77 1ia4 s ILE 135 Ca 0.21 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1ia4 s ILE 135 Cb -0.15 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 1ia4 s ILE 135 CO 0.11 0.35 -0.07 -1.61 0.00 0.00 0.00 174.94 173.72 1ia4 s GLU 136 N -1.80 0.51 -0.03 2.79 2.02 0.17 -0.42 118.70 121.94 1ia4 s GLU 136 Ca 0.24 -0.63 -0.12 0.00 0.02 0.00 0.00 54.97 54.48 1ia4 s GLU 136 Cb -0.12 -0.33 0.02 0.00 0.10 0.00 0.00 34.13 33.80 1ia4 s GLU 136 CO 0.15 0.07 0.27 -1.58 0.02 0.00 0.00 175.26 174.19 1ia4 s HIS 137 N -1.09 -0.17 0.23 1.61 5.65 -1.26 -1.34 115.29 118.91 1ia4 s HIS 137 Ca -0.07 0.31 -0.07 0.00 0.25 0.00 0.00 55.06 55.48 1ia4 s HIS 137 Cb -0.08 0.07 0.31 0.00 -1.18 0.00 0.00 32.58 31.69 1ia4 s HIS 137 CO 0.00 -0.31 1.82 -1.00 -0.65 0.00 0.00 174.74 174.60 1ia4 h PRO 138 N 4.43 0.75 -2.59 2.88 0.13 -2.01 -3.31 132.00 132.27 1ia4 h PRO 138 Ca -0.29 -0.04 -0.60 0.00 -0.87 0.00 0.00 66.00 64.19 1ia4 h PRO 138 Cb 1.18 -0.17 -0.41 0.00 0.13 0.00 0.00 31.00 31.74 1ia4 h PRO 138 CO 0.38 0.49 -0.71 0.45 -0.23 0.00 0.00 178.00 178.38 1ia4 n SER 139 N -4.74 2.28 -0.11 1.44 2.88 -1.26 -4.95 113.62 109.16 1ia4 n SER 139 Ca 0.11 -3.07 0.18 0.00 -1.33 0.00 0.00 58.87 54.76 1ia4 n SER 139 Cb 0.21 -0.68 0.58 0.00 -0.75 0.00 0.00 64.21 63.56 1ia4 n SER 139 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ia4 h PRO 140 N 4.94 0.25 0.00 -1.46 0.13 -1.92 0.14 132.00 134.08 1ia4 h PRO 140 Ca 0.18 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1ia4 h PRO 140 Cb 0.77 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1ia4 h PRO 140 CO 0.66 0.16 0.00 1.05 -0.23 0.00 0.00 178.00 179.64 1ia4 h GLU 141 N 0.25 0.00 0.00 0.86 9.09 -1.93 -2.31 114.58 120.54 1ia4 h GLU 141 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.74 1ia4 h GLU 141 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.05 1ia4 h GLU 141 CO -0.07 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.65 1ia4 h SER 142 N 0.00 0.00 -3.42 3.06 4.64 -1.13 -3.43 113.55 113.27 1ia4 h SER 142 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 1ia4 h SER 142 Cb 0.48 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.47 1ia4 h SER 142 CO 0.00 0.00 0.32 -0.63 -0.87 0.00 0.00 176.83 175.65 1ia4 s ILE 143 N -3.36 4.87 0.02 0.95 1.01 -0.87 -5.02 121.20 118.80 1ia4 s ILE 143 Ca 0.05 1.23 -0.30 0.00 0.00 0.00 0.00 60.65 61.63 1ia4 s ILE 143 Cb 0.07 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 1ia4 s ILE 143 CO 0.61 -0.12 1.26 -1.61 0.00 0.00 0.00 174.94 175.08 1ia4 s GLU 144 N 2.76 4.37 -0.05 2.79 0.41 -1.26 -5.01 118.70 122.71 1ia4 s GLU 144 Ca 0.30 1.80 -0.11 0.00 -0.41 0.00 0.00 54.97 56.56 1ia4 s GLU 144 Cb -0.15 -3.45 0.02 0.00 -1.78 0.00 0.00 34.13 28.77 1ia4 s GLU 144 CO 0.10 -0.39 0.26 1.41 -0.49 0.00 0.00 175.26 176.14 1ia4 s MET 145 N 1.69 0.49 0.00 1.61 1.75 -1.26 -4.64 119.30 118.94 1ia4 s MET 145 Ca 0.59 -0.01 0.00 0.00 -1.25 0.00 0.00 55.69 55.03 1ia4 s MET 145 Cb -0.29 0.22 0.00 0.00 2.84 0.00 0.00 34.83 37.60 1ia4 s MET 145 CO 0.26 -0.11 0.00 -0.40 -0.65 0.00 0.00 175.02 174.12 1ia4 n ASP 146 N 1.97 0.58 -4.24 1.11 3.85 -0.50 -4.99 116.55 114.34 1ia4 n ASP 146 Ca -0.18 -0.26 -0.30 0.00 -0.71 0.00 0.00 54.79 53.34 1ia4 n ASP 146 Cb 0.57 0.64 -0.16 0.00 -1.35 0.00 0.00 41.12 40.82 1ia4 n ASP 146 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1ia4 s THR 147 N -0.76 1.87 0.04 2.12 2.01 -1.03 -5.02 115.64 114.87 1ia4 s THR 147 Ca 0.00 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 61.01 1ia4 s THR 147 Cb 0.00 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 1ia4 s THR 147 CO 0.00 0.52 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.08 1ia4 s PHE 148 N -0.20 0.37 0.33 4.92 0.40 -1.26 -1.65 117.98 120.90 1ia4 s PHE 148 Ca -0.01 -0.77 -0.26 0.00 -0.60 0.00 0.00 56.93 55.29 1ia4 s PHE 148 Cb -0.12 -0.27 -0.09 0.00 0.51 0.00 0.00 43.02 43.04 1ia4 s PHE 148 CO 0.02 -0.30 1.02 -0.51 0.70 0.00 0.00 175.22 176.16 1ia4 s LEU 149 N -2.20 4.34 -0.59 -0.37 1.43 -0.55 -4.94 118.68 115.81 1ia4 s LEU 149 Ca -0.04 2.03 0.06 0.00 -1.03 0.00 0.00 54.13 55.14 1ia4 s LEU 149 Cb -0.01 -3.95 0.21 0.00 0.03 0.00 0.00 46.19 42.47 1ia4 s LEU 149 CO -0.05 -0.23 0.55 2.29 0.23 0.00 0.00 176.35 179.14 1ia4 n LYS 150 N 0.55 1.57 -4.37 1.70 2.85 -1.26 -4.91 118.16 114.29 1ia4 n LYS 150 Ca 0.02 -4.12 -0.34 0.00 -1.05 0.00 0.00 58.31 52.82 1ia4 n LYS 150 Cb 0.48 -2.01 -0.11 0.00 -0.65 0.00 0.00 35.03 32.75 1ia4 n LYS 150 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1ia4 s PHE 151 N -1.45 3.09 -1.36 5.58 0.08 -1.26 -4.87 117.98 117.79 1ia4 s PHE 151 Ca 0.32 -0.05 -0.15 0.00 0.12 0.00 0.00 56.93 57.17 1ia4 s PHE 151 Cb 0.06 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 1ia4 s PHE 151 CO -0.12 0.20 2.21 -0.35 -0.10 0.00 0.00 175.22 177.05 1ia4 n PRO 152 N 2.91 2.67 0.00 0.24 -0.04 -1.26 -4.77 135.00 134.75 1ia4 n PRO 152 Ca -0.18 -2.47 0.06 0.00 -0.04 0.00 0.00 63.50 60.87 1ia4 n PRO 152 Cb 0.53 -3.22 0.28 0.00 -0.04 0.00 0.00 33.50 31.05 1ia4 n PRO 152 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ia4 n LEU 153 N 6.22 0.00 0.27 1.53 4.77 -1.26 -1.78 117.00 126.75 1ia4 n LEU 153 Ca 0.52 0.44 0.16 0.00 -0.03 0.00 0.00 56.01 57.10 1ia4 n LEU 153 Cb 0.39 -0.44 0.71 0.00 -2.33 0.00 0.00 43.42 41.75 1ia4 n LEU 153 CO 0.92 -0.25 0.98 1.05 -1.33 0.00 0.00 177.39 178.75 1ia4 h GLU 154 N 0.00 0.00 -0.41 3.23 9.09 -2.03 -1.23 114.58 123.22 1ia4 h GLU 154 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ia4 h GLU 154 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 1ia4 h GLU 154 CO 0.00 0.06 0.00 0.43 0.05 0.00 0.00 179.01 179.55 1ia4 n SER 155 N -3.22 3.10 -4.39 3.06 7.64 -0.73 -4.96 113.62 114.12 1ia4 n SER 155 Ca -0.00 -1.95 -0.23 0.00 1.01 0.00 0.00 58.87 57.70 1ia4 n SER 155 Cb 0.29 -0.27 -0.11 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.46 2.01 -0.10 1.43 0.52 -0.47 -1.62 118.94 119.26 1ia4 s TRP 156 Ca 0.38 -0.43 0.04 0.00 0.02 0.00 0.00 56.10 56.11 1ia4 s TRP 156 Cb 0.21 -0.95 0.00 0.00 -1.15 0.00 0.00 33.47 31.58 1ia4 s TRP 156 CO 0.30 0.47 -0.23 0.99 0.02 0.00 0.00 176.95 178.50 1ia4 s THR 157 N -2.27 1.99 -0.11 2.01 2.01 0.15 -4.80 115.64 114.62 1ia4 s THR 157 Ca 0.22 -0.98 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 1ia4 s THR 157 Cb -0.05 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 1ia4 s THR 157 CO 0.09 0.54 1.18 -0.75 -0.69 0.00 0.00 174.62 175.00 1ia4 s LYS 158 N 0.34 4.31 0.57 4.92 2.20 -1.26 -1.78 119.74 129.04 1ia4 s LYS 158 Ca -0.18 1.61 -0.08 0.00 -0.36 0.00 0.00 55.97 56.96 1ia4 s LYS 158 Cb -0.18 -3.63 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 1ia4 s LYS 158 CO 0.08 -0.54 0.91 -0.65 -0.36 0.00 0.00 175.35 174.80 1ia4 s GLN 159 N 2.71 3.34 0.73 4.03 -1.52 0.11 -4.99 119.66 124.07 1ia4 s GLN 159 Ca 0.53 0.33 -0.13 0.00 -1.95 0.00 0.00 55.36 54.15 1ia4 s GLN 159 Cb -0.22 -2.23 0.04 0.00 -0.22 0.00 0.00 33.01 30.38 1ia4 s GLN 159 CO 0.17 -0.51 1.12 -2.14 -0.25 0.00 0.00 175.29 173.69 1ia4 s PRO 160 N -4.99 2.35 0.54 2.91 0.02 -1.26 -4.63 135.00 129.94 1ia4 s PRO 160 Ca 0.52 1.40 0.24 0.00 0.02 0.00 0.00 61.00 63.18 1ia4 s PRO 160 Cb -0.11 -1.89 1.43 0.00 0.02 0.00 0.00 34.50 33.95 1ia4 s PRO 160 CO 0.48 -1.60 2.06 -0.22 -0.33 0.00 0.00 177.00 177.39 1ia4 h LYS 161 N -0.56 0.00 -1.01 5.54 3.64 -1.97 -1.14 116.57 121.07 1ia4 h LYS 161 Ca -0.46 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.99 1ia4 h LYS 161 Cb 1.25 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.00 1ia4 h LYS 161 CO 0.51 0.00 0.65 0.66 -2.27 0.00 0.00 179.45 179.00 1ia4 h SER 162 N 0.00 1.04 -0.37 4.20 4.64 -1.99 0.30 113.55 121.37 1ia4 h SER 162 Ca 0.14 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.35 1ia4 h SER 162 Cb 0.61 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1ia4 h SER 162 CO -0.00 0.66 -0.24 -0.33 -0.87 0.00 0.00 176.83 176.05 1ia4 h GLU 163 N 1.18 0.81 -0.27 4.77 4.39 -1.56 -1.27 114.58 122.63 1ia4 h GLU 163 Ca 0.44 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1ia4 h GLU 163 Cb 0.17 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1ia4 h GLU 163 CO -0.17 1.01 0.18 1.25 -1.16 0.00 0.00 179.01 180.12 1ia4 h LEU 164 N 0.60 0.32 -0.86 1.33 5.85 -1.39 -0.83 115.31 120.33 1ia4 h LEU 164 Ca 0.07 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1ia4 h LEU 164 Cb 0.81 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 1ia4 h LEU 164 CO 0.07 0.24 0.55 -0.61 -0.34 0.00 0.00 178.44 178.35 1ia4 h GLN 165 N 0.37 1.04 -0.68 1.25 5.75 -0.79 0.12 115.11 122.16 1ia4 h GLN 165 Ca 0.10 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1ia4 h GLN 165 Cb -0.03 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.25 1ia4 h GLN 165 CO -0.02 0.69 0.36 0.87 -2.65 0.00 0.00 178.83 178.08 1ia4 h LYS 166 N 1.07 0.96 0.15 1.69 1.57 -0.89 -1.11 116.57 120.01 1ia4 h LYS 166 Ca 0.35 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1ia4 h LYS 166 Cb 0.03 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1ia4 h LYS 166 CO -0.12 0.73 -0.24 0.35 -0.57 0.00 0.00 179.45 179.60 1ia4 h PHE 167 N 0.94 -0.64 -0.01 -1.35 3.04 0.44 -2.98 116.94 116.38 1ia4 h PHE 167 Ca 0.24 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.20 1ia4 h PHE 167 Cb 0.06 0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.83 1ia4 h PHE 167 CO -0.00 -0.34 -0.08 1.33 -2.02 0.00 0.00 178.31 177.19 1ia4 n VAL 168 N -5.36 0.00 0.00 1.41 0.24 -0.39 -5.03 118.33 109.20 1ia4 n VAL 168 Ca -0.07 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1ia4 n VAL 168 Cb 0.27 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 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 1.21 4.34 0.15 7.63 0.00 -0.43 -2.99 105.19 115.10 1ia4 n GLY 169 Ca 0.17 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.46 1ia4 n GLY 169 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ia4 h ASP 170 N 0.00 0.00 -3.23 1.61 3.45 -1.93 -3.45 116.42 112.87 1ia4 h ASP 170 Ca 0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 1ia4 h ASP 170 Cb 0.00 0.00 0.08 0.00 -0.56 0.00 0.00 39.33 38.85 1ia4 h ASP 170 CO 0.00 0.00 0.89 0.41 -1.57 0.00 0.00 179.24 178.97 1ia4 n THR 171 N -2.33 0.95 -2.54 0.35 -1.04 -1.16 -4.94 114.28 103.58 1ia4 n THR 171 Ca 0.02 -0.24 -0.43 0.00 -2.04 0.00 0.00 64.05 61.36 1ia4 n THR 171 Cb 0.24 -1.96 -0.02 0.00 -1.82 0.00 0.00 70.33 66.77 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 0.07 4.47 -0.45 12.58 1.01 -1.26 -5.01 120.40 131.81 1ia4 s VAL 172 Ca 0.65 1.77 -0.09 0.00 0.00 0.00 0.00 61.98 64.31 1ia4 s VAL 172 Cb -0.50 -4.14 0.10 0.00 0.00 0.00 0.00 36.38 31.84 1ia4 s VAL 172 CO 0.47 -0.12 0.30 -0.76 0.00 0.00 0.00 175.10 174.99 1ia4 s LEU 173 N 3.11 5.43 0.44 3.92 1.43 -1.26 -5.08 118.68 126.66 1ia4 s LEU 173 Ca 0.50 -1.71 -0.15 0.00 -1.03 0.00 0.00 54.13 51.75 1ia4 s LEU 173 Cb -0.19 -2.00 -0.08 0.00 0.03 0.00 0.00 46.19 43.95 1ia4 s LEU 173 CO 0.13 -0.62 0.87 -1.61 0.23 0.00 0.00 176.35 175.35 1ia4 s GLU 174 N 1.40 3.94 0.09 1.70 2.02 -1.26 -5.08 118.70 121.51 1ia4 s GLU 174 Ca 0.04 0.78 0.02 0.00 0.02 0.00 0.00 54.97 55.83 1ia4 s GLU 174 Cb -0.25 -2.27 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 1ia4 s GLU 174 CO 0.01 -0.09 0.17 -0.51 0.02 0.00 0.00 175.26 174.85 1ia4 s ASP 175 N -2.84 5.98 -1.35 -0.19 1.01 -1.26 -4.69 116.67 113.33 1ia4 s ASP 175 Ca 0.56 0.12 -0.20 0.00 0.71 0.00 0.00 52.55 53.74 1ia4 s ASP 175 Cb -0.10 -1.74 0.03 0.00 1.01 0.00 0.00 42.92 42.12 1ia4 s ASP 175 CO 0.26 0.15 0.41 0.47 0.21 0.00 0.00 175.17 176.68 1ia4 n ASP 176 N 0.19 -2.07 -4.72 0.27 10.43 -1.23 -4.87 116.55 114.55 1ia4 n ASP 176 Ca -0.07 -1.28 -0.42 0.00 2.57 0.00 0.00 54.79 55.59 1ia4 n ASP 176 Cb 0.52 -1.72 -0.03 0.00 1.84 0.00 0.00 41.12 41.73 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 -3.87 2.57 -0.09 0.53 1.01 -0.58 -4.72 121.20 116.03 1ia4 s ILE 177 Ca 0.29 0.42 0.03 0.00 0.00 0.00 0.00 60.65 61.38 1ia4 s ILE 177 Cb -0.16 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 1ia4 s ILE 177 CO 0.98 0.04 -0.19 -0.54 0.00 0.00 0.00 174.94 175.23 1ia4 s LYS 178 N 0.91 2.97 -0.14 2.79 1.02 -1.26 -1.26 119.74 124.78 1ia4 s LYS 178 Ca 0.69 -0.79 -0.04 0.00 0.02 0.00 0.00 55.97 55.84 1ia4 s LYS 178 Cb -0.44 -2.39 0.05 0.00 -0.52 0.00 0.00 37.83 34.53 1ia4 s LYS 178 CO 0.33 0.30 0.09 -1.21 -0.92 0.00 0.00 175.35 173.94 1ia4 s GLU 179 N 0.08 0.03 7.05 1.68 2.02 -0.53 -5.01 118.70 124.01 1ia4 s GLU 179 Ca -0.08 0.03 0.00 0.00 0.02 0.00 0.00 54.97 54.93 1ia4 s GLU 179 Cb -0.15 -1.53 0.00 0.00 0.10 0.00 0.00 34.13 32.55 1ia4 s GLU 179 CO 0.05 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.15 1ia4 n GLY 180 N 5.29 3.23 0.71 -1.39 0.00 -1.26 -1.05 105.19 110.71 1ia4 n GLY 180 Ca -0.06 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 3.36 2.07 -4.84 1.61 10.43 -1.26 -4.90 116.55 123.01 1ia4 n ASP 181 Ca 0.00 -1.92 -0.36 0.00 2.57 0.00 0.00 54.79 55.08 1ia4 n ASP 181 Cb 0.00 -0.22 -0.06 0.00 1.84 0.00 0.00 41.12 42.67 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 -1.56 3.50 -0.07 1.24 0.08 -0.21 -4.29 117.98 116.67 1ia4 s PHE 182 Ca 0.29 0.43 0.04 0.00 0.12 0.00 0.00 56.93 57.81 1ia4 s PHE 182 Cb 0.15 -1.89 -0.00 0.00 -0.57 0.00 0.00 43.02 40.72 1ia4 s PHE 182 CO 0.21 0.67 -0.20 0.99 -0.10 0.00 0.00 175.22 176.79 1ia4 s THR 183 N -1.05 1.73 0.05 0.64 2.01 -0.45 -1.45 115.64 117.11 1ia4 s THR 183 Ca 0.17 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 1ia4 s THR 183 Cb -0.12 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1ia4 s THR 183 CO 0.06 0.49 -0.03 -0.72 -0.69 0.00 0.00 174.62 173.73 1ia4 s TYR 184 N 0.18 0.53 0.01 4.92 1.13 -0.38 0.42 117.35 124.17 1ia4 s TYR 184 Ca -0.10 -1.04 -0.02 0.00 -1.41 0.00 0.00 57.07 54.49 1ia4 s TYR 184 Cb -0.15 -0.39 -0.01 0.00 -1.10 0.00 0.00 41.96 40.31 1ia4 s TYR 184 CO 0.05 -0.36 0.03 -0.80 -2.51 0.00 0.00 175.55 171.96 1ia4 s ASN 185 N -2.87 0.13 0.07 -0.18 -0.87 -0.75 -1.53 114.94 108.93 1ia4 s ASN 185 Ca 0.06 -0.31 -0.17 0.00 -1.57 0.00 0.00 52.86 50.87 1ia4 s ASN 185 Cb 0.07 0.13 -0.06 0.00 -0.02 0.00 0.00 41.25 41.37 1ia4 s ASN 185 CO -0.09 -0.28 0.52 -0.31 -2.57 0.00 0.00 177.10 174.37 1ia4 s TYR 186 N -1.20 3.74 0.06 2.20 2.02 -1.26 -0.45 117.35 122.46 1ia4 s TYR 186 Ca -0.13 1.15 0.01 0.00 -0.37 0.00 0.00 57.07 57.72 1ia4 s TYR 186 Cb -0.08 -2.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.04 1ia4 s TYR 186 CO -0.00 0.57 -0.05 0.95 -1.57 0.00 0.00 175.55 175.45 1ia4 s THR 187 N -1.18 0.44 -0.02 -0.71 -4.23 -0.83 -4.96 115.64 104.15 1ia4 s THR 187 Ca 0.29 -1.64 0.05 0.00 -1.18 0.00 0.00 61.69 59.22 1ia4 s THR 187 Cb -0.18 -1.30 -0.01 0.00 1.34 0.00 0.00 72.50 72.36 1ia4 s THR 187 CO 0.18 -0.80 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.06 1ia4 s LEU 188 N -2.59 2.00 0.06 4.79 2.96 -1.26 -2.56 118.68 122.08 1ia4 s LEU 188 Ca 0.04 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1ia4 s LEU 188 Cb 0.02 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.71 1ia4 s LEU 188 CO -0.05 0.20 -0.13 0.26 -1.32 0.00 0.00 176.35 175.31 1ia4 s TRP 189 N -0.28 1.10 0.26 5.38 0.52 -0.14 0.05 118.94 125.84 1ia4 s TRP 189 Ca 0.03 -0.45 0.04 0.00 0.02 0.00 0.00 56.10 55.75 1ia4 s TRP 189 Cb -0.09 -0.63 -0.06 0.00 -1.15 0.00 0.00 33.47 31.55 1ia4 s TRP 189 CO 0.00 0.03 0.01 0.95 0.02 0.00 0.00 176.95 177.96 1ia4 s THR 190 N -1.22 1.11 0.25 2.01 -4.23 -0.73 -1.40 115.64 111.43 1ia4 s THR 190 Ca -0.03 -2.03 -0.29 0.00 -1.18 0.00 0.00 61.69 58.16 1ia4 s THR 190 Cb -0.10 -2.49 -0.09 0.00 1.34 0.00 0.00 72.50 71.16 1ia4 s THR 190 CO 0.02 -0.21 0.93 -0.13 -0.54 0.00 0.00 174.62 174.68 1ia4 s ARG 191 N -3.87 4.80 0.00 3.99 0.52 -1.26 0.32 118.95 123.45 1ia4 s ARG 191 Ca 0.31 1.44 0.18 0.00 -0.52 0.00 0.00 55.73 57.15 1ia4 s ARG 191 Cb 0.06 -3.20 1.09 0.00 0.52 0.00 0.00 34.95 33.42 1ia4 s ARG 191 CO 0.11 0.48 1.49 0.36 0.02 0.00 0.00 175.30 177.76