#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ia3 s LEU 2 N 0.00 4.58 0.03 -0.89 1.43 -1.26 -5.05 118.68 117.53 1ia3 s LEU 2 Ca 0.00 1.99 0.02 0.00 -1.03 0.00 0.00 54.13 55.11 1ia3 s LEU 2 Cb 0.00 -3.68 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1ia3 s LEU 2 CO 0.00 0.07 -0.07 -0.54 0.23 0.00 0.00 176.35 176.04 1ia3 s LYS 3 N -1.36 0.51 0.84 1.70 1.02 -1.26 -5.15 119.74 116.04 1ia3 s LYS 3 Ca 0.43 -0.58 -0.11 0.00 0.02 0.00 0.00 55.97 55.72 1ia3 s LYS 3 Cb -0.26 -0.35 0.10 0.00 -0.52 0.00 0.00 37.83 36.80 1ia3 s LYS 3 CO 0.32 0.07 1.09 -1.25 -0.92 0.00 0.00 175.35 174.67 1ia3 s PRO 4 N -1.13 1.70 -0.33 -1.68 0.04 -1.26 -5.02 135.00 127.32 1ia3 s PRO 4 Ca -0.06 0.75 -0.08 0.00 0.04 0.00 0.00 61.00 61.65 1ia3 s PRO 4 Cb -0.08 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.62 1ia3 s PRO 4 CO 0.00 -1.91 0.12 1.21 0.04 0.00 0.00 177.00 176.46 1ia3 s ASN 5 N -3.65 5.36 0.00 6.66 2.47 -1.26 -4.99 114.94 119.53 1ia3 s ASN 5 Ca 0.62 -0.91 0.07 0.00 0.42 0.00 0.00 52.86 53.06 1ia3 s ASN 5 Cb -0.16 -1.92 -0.02 0.00 -1.45 0.00 0.00 41.25 37.70 1ia3 s ASN 5 CO 0.56 -0.28 -0.23 -0.69 -3.72 0.00 0.00 177.10 172.74 1ia3 s VAL 6 N 1.49 1.80 0.02 -5.21 1.01 -1.25 -0.45 120.40 117.80 1ia3 s VAL 6 Ca 0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 1ia3 s VAL 6 Cb -0.18 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1ia3 s VAL 6 CO 0.04 0.43 0.05 0.00 0.00 0.00 0.00 175.10 175.62 1ia3 s ALA 7 N -0.61 -0.08 -0.09 5.51 0.00 -0.48 -1.68 121.76 124.34 1ia3 s ALA 7 Ca 0.09 -0.42 -0.12 0.00 0.00 0.00 0.00 51.96 51.52 1ia3 s ALA 7 Cb -0.09 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 1ia3 s ALA 7 CO -0.00 -0.21 0.27 0.42 0.00 0.00 0.00 175.76 176.25 1ia3 s ILE 8 N -1.64 5.28 -0.10 0.00 1.01 -0.76 -0.61 121.20 124.38 1ia3 s ILE 8 Ca -0.14 0.52 0.02 0.00 0.00 0.00 0.00 60.65 61.06 1ia3 s ILE 8 Cb -0.07 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.84 1ia3 s ILE 8 CO -0.01 0.55 -0.16 -0.51 0.00 0.00 0.00 174.94 174.81 1ia3 s ILE 9 N -0.66 1.52 0.07 2.92 2.07 -0.76 -0.42 121.20 125.94 1ia3 s ILE 9 Ca 0.18 -0.68 -0.08 0.00 -1.41 0.00 0.00 60.65 58.67 1ia3 s ILE 9 Cb -0.14 -1.37 -0.00 0.00 0.13 0.00 0.00 42.46 41.07 1ia3 s ILE 9 CO 0.07 0.44 0.17 0.54 -1.91 0.00 0.00 174.94 174.26 1ia3 s VAL 10 N 0.81 0.14 -0.12 4.00 0.11 -0.37 -4.61 120.40 120.36 1ia3 s VAL 10 Ca -0.10 -1.14 0.01 0.00 -2.93 0.00 0.00 61.98 57.82 1ia3 s VAL 10 Cb -0.16 -1.22 0.02 0.00 -1.53 0.00 0.00 36.38 33.49 1ia3 s VAL 10 CO 0.01 -0.63 -0.14 0.00 -3.33 0.00 0.00 175.10 171.01 1ia3 s ALA 11 N -3.47 1.67 0.02 1.54 0.00 -1.26 -0.69 121.76 119.57 1ia3 s ALA 11 Ca 0.02 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1ia3 s ALA 11 Cb 0.03 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1ia3 s ALA 11 CO -0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 175.76 175.46 1ia3 s ALA 12 N 1.15 0.30 -0.14 0.00 0.00 -0.33 -4.64 121.76 118.10 1ia3 s ALA 12 Ca -0.03 -0.53 -0.15 0.00 0.00 0.00 0.00 51.96 51.24 1ia3 s ALA 12 Cb -0.14 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1ia3 s ALA 12 CO -0.04 -0.06 0.35 -1.17 0.00 0.00 0.00 175.76 174.85 1ia3 s LEU 13 N -1.15 4.26 0.44 0.00 2.96 -0.31 -0.23 118.68 124.65 1ia3 s LEU 13 Ca -0.10 0.62 -0.19 0.00 -0.22 0.00 0.00 54.13 54.24 1ia3 s LEU 13 Cb -0.08 -2.48 -0.10 0.00 0.50 0.00 0.00 46.19 44.03 1ia3 s LEU 13 CO -0.00 0.07 0.93 -0.54 -1.32 0.00 0.00 176.35 175.49 1ia3 s LYS 14 N 0.48 4.13 0.10 1.98 1.02 0.35 0.06 119.74 127.86 1ia3 s LYS 14 Ca 0.20 1.01 0.23 0.00 0.02 0.00 0.00 55.97 57.43 1ia3 s LYS 14 Cb -0.14 -2.20 0.18 0.00 -0.52 0.00 0.00 37.83 35.14 1ia3 s LYS 14 CO 0.06 -0.06 1.16 -0.35 -0.92 0.00 0.00 175.35 175.23 1ia3 n PRO 15 N -0.85 0.33 0.03 -1.68 -0.04 -1.26 -4.69 135.00 126.84 1ia3 n PRO 15 Ca 0.06 0.05 0.14 0.00 -0.04 0.00 0.00 63.50 63.71 1ia3 n PRO 15 Cb 0.54 -1.66 0.55 0.00 -0.04 0.00 0.00 33.50 32.89 1ia3 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ia3 n ALA 16 N -1.87 2.30 -2.97 0.55 0.00 -1.23 -4.94 120.51 112.35 1ia3 n ALA 16 Ca 0.02 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 1ia3 n ALA 16 Cb 0.45 -1.47 0.06 0.00 0.00 0.00 0.00 19.45 18.50 1ia3 n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ia3 n LEU 17 N -1.75 -3.38 -4.78 0.00 4.77 0.11 -4.55 117.00 107.42 1ia3 n LEU 17 Ca 0.06 -0.42 -0.37 0.00 -0.03 0.00 0.00 56.01 55.25 1ia3 n LEU 17 Cb 0.37 -2.28 -0.05 0.00 -2.33 0.00 0.00 43.42 39.13 1ia3 n LEU 17 CO 0.28 0.26 0.72 -0.83 -1.33 0.00 0.00 177.39 176.48 1ia3 s GLY 18 N -3.92 2.82 0.00 -0.72 0.00 -0.91 -1.05 107.32 103.55 1ia3 s GLY 18 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.41 1ia3 s GLY 18 CO 0.49 1.15 0.00 0.29 0.00 0.00 0.00 173.10 175.04 1ia3 n ILE 19 N 0.37 0.00 -3.72 0.90 -5.35 0.19 -1.16 119.36 110.58 1ia3 n ILE 19 Ca 0.03 -0.11 -0.01 0.00 -0.27 0.00 0.00 62.75 62.38 1ia3 n ILE 19 Cb 0.49 0.57 -0.01 0.00 -1.74 0.00 0.00 39.64 38.95 1ia3 n ILE 19 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ia3 s GLY 20 N -1.42 -0.26 -0.16 3.28 0.00 -1.13 -4.55 107.32 103.08 1ia3 s GLY 20 Ca 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 44.72 44.96 1ia3 s GLY 20 CO 0.00 0.38 0.19 -0.47 0.00 0.00 0.00 173.10 173.20 1ia3 s TYR 21 N -2.86 -0.18 -1.46 1.90 5.04 0.72 -2.09 117.35 118.42 1ia3 s TYR 21 Ca 0.14 0.29 -0.08 0.00 -2.44 0.00 0.00 57.07 54.98 1ia3 s TYR 21 Cb 0.01 -0.37 0.03 0.00 0.35 0.00 0.00 41.96 41.98 1ia3 s TYR 21 CO 0.00 -0.48 0.90 1.63 -1.34 0.00 0.00 175.55 176.26 1ia3 n LYS 22 N 5.32 -6.17 -0.99 4.97 4.01 -1.26 -2.43 118.16 121.60 1ia3 n LYS 22 Ca -0.05 0.80 0.00 0.00 -0.51 0.00 0.00 58.31 58.54 1ia3 n LYS 22 Cb 0.50 -5.74 0.00 0.00 -0.51 0.00 0.00 35.03 29.28 1ia3 n LYS 22 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ia3 n GLY 23 N -1.73 0.61 3.27 0.72 0.00 -1.26 -5.03 105.19 101.78 1ia3 n GLY 23 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 1ia3 n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ia3 s LYS 24 N -0.01 1.12 0.07 1.61 1.02 -1.02 -5.02 119.74 117.51 1ia3 s LYS 24 Ca 0.00 -1.41 -0.28 0.00 0.02 0.00 0.00 55.97 54.30 1ia3 s LYS 24 Cb 0.00 -0.86 -0.05 0.00 -0.52 0.00 0.00 37.83 36.40 1ia3 s LYS 24 CO 0.00 0.14 0.90 -1.64 -0.92 0.00 0.00 175.35 173.83 1ia3 s MET 25 N -3.31 4.61 0.00 1.68 -1.94 -1.26 -0.20 119.30 118.88 1ia3 s MET 25 Ca 0.15 1.32 0.08 0.00 -1.71 0.00 0.00 55.69 55.53 1ia3 s MET 25 Cb -0.01 -3.39 0.48 0.00 2.01 0.00 0.00 34.83 33.92 1ia3 s MET 25 CO 0.03 0.19 1.01 -0.35 -0.01 0.00 0.00 175.02 175.89 1ia3 n PRO 26 N 2.99 0.63 -4.13 2.03 -0.05 -1.26 -4.78 135.00 130.43 1ia3 n PRO 26 Ca 0.01 0.00 -0.12 0.00 -0.05 0.00 0.00 63.50 63.35 1ia3 n PRO 26 Cb 0.50 -1.20 -0.11 0.00 -0.05 0.00 0.00 33.50 32.64 1ia3 n PRO 26 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 175.50 177.12 1ia3 s TRP 27 N -2.00 0.84 -0.34 0.54 -2.14 -1.26 -5.00 118.94 109.58 1ia3 s TRP 27 Ca 0.12 -0.75 0.01 0.00 2.66 0.00 0.00 56.10 58.14 1ia3 s TRP 27 Cb 0.06 -0.49 0.11 0.00 -3.10 0.00 0.00 33.47 30.05 1ia3 s TRP 27 CO 0.09 -0.11 0.11 0.50 -2.66 0.00 0.00 176.95 174.88 1ia3 s ARG 28 N -2.97 0.96 -0.34 3.25 3.52 -1.26 -5.08 118.95 117.03 1ia3 s ARG 28 Ca 0.04 -1.39 -0.03 0.00 -0.13 0.00 0.00 55.73 54.23 1ia3 s ARG 28 Cb -0.01 -2.28 0.07 0.00 -1.56 0.00 0.00 34.95 31.17 1ia3 s ARG 28 CO -0.03 -1.01 0.08 -0.51 -0.81 0.00 0.00 175.30 173.02 1ia3 s LEU 29 N 1.26 4.39 0.15 -0.88 1.43 -1.26 -5.00 118.68 118.77 1ia3 s LEU 29 Ca 0.11 -1.51 -0.14 0.00 -1.03 0.00 0.00 54.13 51.56 1ia3 s LEU 29 Cb -0.19 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.29 1ia3 s LEU 29 CO -0.18 -0.36 1.70 0.03 0.23 0.00 0.00 176.35 177.77 1ia3 h ARG 30 N 8.03 0.70 -0.35 1.70 3.08 -2.00 -2.23 114.38 123.32 1ia3 h ARG 30 Ca -0.18 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 59.60 1ia3 h ARG 30 Cb 1.06 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 1ia3 h ARG 30 CO 0.59 0.63 -0.34 0.87 -1.07 0.00 0.00 179.97 180.66 1ia3 h LYS 31 N 0.61 0.78 -0.54 0.04 1.57 -1.99 -2.87 116.57 114.18 1ia3 h LYS 31 Ca 0.16 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1ia3 h LYS 31 Cb 0.20 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1ia3 h LYS 31 CO -0.01 1.00 0.34 1.49 -0.57 0.00 0.00 179.45 181.70 1ia3 h GLU 32 N 0.65 0.72 -0.51 3.15 4.22 -1.96 -0.04 114.58 120.82 1ia3 h GLU 32 Ca 0.07 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.41 1ia3 h GLU 32 Cb 0.88 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1ia3 h GLU 32 CO 0.08 0.50 0.16 0.82 -2.18 0.00 0.00 179.01 178.38 1ia3 h ILE 33 N 0.73 1.21 -0.32 2.32 2.04 -1.39 -0.44 117.51 121.65 1ia3 h ILE 33 Ca 0.19 -0.70 -0.16 0.00 1.00 0.00 0.00 64.86 65.19 1ia3 h ILE 33 Cb -0.05 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1ia3 h ILE 33 CO -0.04 0.27 -0.44 -0.09 0.00 0.00 0.00 178.15 177.84 1ia3 h ARG 34 N 0.74 0.81 -0.25 2.37 9.65 -1.10 -1.93 114.38 124.67 1ia3 h ARG 34 Ca 0.17 -0.45 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 1ia3 h ARG 34 Cb 0.23 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 1ia3 h ARG 34 CO -0.01 1.09 0.16 -0.92 2.80 0.00 0.00 179.97 183.09 1ia3 h TYR 35 N 0.65 0.31 -0.16 2.20 5.03 -0.53 -0.58 116.97 123.89 1ia3 h TYR 35 Ca 0.04 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.41 1ia3 h TYR 35 Cb 1.02 -0.11 -0.06 0.00 1.55 0.00 0.00 36.73 39.14 1ia3 h TYR 35 CO 0.06 0.20 -0.21 0.35 -1.32 0.00 0.00 178.16 177.24 1ia3 h PHE 36 N 0.34 -0.54 0.23 -3.82 3.04 -0.94 0.28 116.94 115.53 1ia3 h PHE 36 Ca 0.09 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.07 1ia3 h PHE 36 Cb -0.03 0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 1ia3 h PHE 36 CO -0.06 -0.28 -0.15 -0.22 -2.02 0.00 0.00 178.31 175.57 1ia3 h LYS 37 N -0.25 -0.36 -0.07 1.11 3.64 -1.18 -1.48 116.57 117.97 1ia3 h LYS 37 Ca 0.11 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1ia3 h LYS 37 Cb 0.41 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1ia3 h LYS 37 CO -0.30 -0.24 -0.13 -0.44 -2.27 0.00 0.00 179.45 176.06 1ia3 h ASP 38 N -0.38 -0.40 -0.35 4.20 3.45 -0.92 -1.63 116.42 120.39 1ia3 h ASP 38 Ca -0.02 0.07 -0.08 0.00 0.43 0.00 0.00 57.03 57.44 1ia3 h ASP 38 Cb 0.33 0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.27 1ia3 h ASP 38 CO 0.01 -0.18 -0.08 0.58 -1.57 0.00 0.00 179.24 178.00 1ia3 h VAL 39 N -0.18 1.28 0.00 -1.35 2.07 -0.90 -0.96 116.25 116.20 1ia3 h VAL 39 Ca 0.07 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1ia3 h VAL 39 Cb 0.28 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1ia3 h VAL 39 CO -0.18 0.38 0.00 0.71 0.02 0.00 0.00 177.57 178.49 1ia3 h THR 40 N 0.47 0.00 0.04 2.57 1.35 -1.24 -3.29 112.91 112.81 1ia3 h THR 40 Ca 0.09 -0.60 -0.34 0.00 -0.55 0.00 0.00 66.41 65.01 1ia3 h THR 40 Cb 0.59 1.57 -0.05 0.00 -1.73 0.00 0.00 68.15 68.53 1ia3 h THR 40 CO 0.03 0.00 -2.04 0.41 -0.25 0.00 0.00 175.52 173.67 1ia3 n THR 41 N -2.96 1.61 -1.90 6.82 -1.04 -0.62 -4.60 114.28 111.59 1ia3 n THR 41 Ca 0.02 -0.73 -0.41 0.00 -2.04 0.00 0.00 64.05 60.89 1ia3 n THR 41 Cb 0.36 -1.21 -0.02 0.00 -1.82 0.00 0.00 70.33 67.64 1ia3 n THR 41 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1ia3 s ARG 42 N -2.55 4.20 0.33 -2.82 3.52 -0.38 -4.63 118.95 116.61 1ia3 s ARG 42 Ca -0.16 2.44 0.04 0.00 -0.13 0.00 0.00 55.73 57.91 1ia3 s ARG 42 Cb 0.07 -3.06 -0.06 0.00 -1.56 0.00 0.00 34.95 30.35 1ia3 s ARG 42 CO 0.77 -0.51 0.07 0.95 -0.81 0.00 0.00 175.30 175.77 1ia3 s THR 43 N -0.14 1.08 -0.39 4.11 -4.23 -1.26 -4.88 115.64 109.93 1ia3 s THR 43 Ca 0.60 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.34 1ia3 s THR 43 Cb -0.45 -2.73 0.26 0.00 1.34 0.00 0.00 72.50 70.92 1ia3 s THR 43 CO 0.47 0.00 1.49 0.71 -0.54 0.00 0.00 174.62 176.75 1ia3 h THR 44 N 2.10 0.03 -3.82 3.99 1.35 -1.96 -3.46 112.91 111.13 1ia3 h THR 44 Ca -0.40 -1.04 -0.15 0.00 -0.55 0.00 0.00 66.41 64.27 1ia3 h THR 44 Cb 1.25 1.91 -0.20 0.00 -1.73 0.00 0.00 68.15 69.38 1ia3 h THR 44 CO 0.68 0.01 -0.61 -1.59 -0.25 0.00 0.00 175.52 173.76 1ia3 s LYS 45 N -3.23 0.41 0.79 4.72 -2.85 -1.26 -5.15 119.74 113.17 1ia3 s LYS 45 Ca 0.05 -0.59 -0.13 0.00 -1.00 0.00 0.00 55.97 54.30 1ia3 s LYS 45 Cb 0.06 0.16 0.07 0.00 -2.06 0.00 0.00 37.83 36.06 1ia3 s LYS 45 CO 0.70 -0.08 1.18 -2.14 0.10 0.00 0.00 175.35 175.10 1ia3 s PRO 46 N -1.68 1.83 -1.34 1.78 0.02 -1.26 -3.58 135.00 130.77 1ia3 s PRO 46 Ca -0.13 1.63 -0.03 0.00 0.02 0.00 0.00 61.00 62.49 1ia3 s PRO 46 Cb -0.07 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.64 1ia3 s PRO 46 CO -0.01 -2.05 0.37 0.09 -0.33 0.00 0.00 177.00 175.08 1ia3 n ASN 47 N -3.25 -5.28 -4.28 2.53 3.02 -1.26 -5.00 115.26 101.74 1ia3 n ASN 47 Ca 0.12 -0.18 -0.15 0.00 -0.03 0.00 0.00 54.58 54.35 1ia3 n ASN 47 Cb 0.51 -4.18 -0.10 0.00 -0.61 0.00 0.00 39.78 35.40 1ia3 n ASN 47 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ia3 s THR 48 N -3.01 0.66 0.26 3.41 -4.23 -1.23 -5.18 115.64 106.31 1ia3 s THR 48 Ca 0.18 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 58.58 1ia3 s THR 48 Cb -0.08 -2.34 -0.00 0.00 1.34 0.00 0.00 72.50 71.42 1ia3 s THR 48 CO 0.23 -0.28 0.49 0.00 -0.54 0.00 0.00 174.62 174.52 1ia3 s ARG 49 N -3.96 1.59 0.45 3.99 1.70 -1.26 -4.88 118.95 116.58 1ia3 s ARG 49 Ca 0.30 -1.29 0.07 0.00 -0.47 0.00 0.00 55.73 54.34 1ia3 s ARG 49 Cb 0.07 0.47 -0.01 0.00 -0.57 0.00 0.00 34.95 34.91 1ia3 s ARG 49 CO 0.08 -0.67 0.34 -0.80 -1.08 0.00 0.00 175.30 173.17 1ia3 s ASN 50 N -3.03 4.77 0.14 -2.89 0.01 -1.26 -1.19 114.94 111.48 1ia3 s ASN 50 Ca 0.23 -0.97 0.08 0.00 -0.71 0.00 0.00 52.86 51.49 1ia3 s ASN 50 Cb -0.01 -0.28 -0.04 0.00 0.41 0.00 0.00 41.25 41.33 1ia3 s ASN 50 CO 0.10 -0.75 -0.10 0.00 -1.51 0.00 0.00 177.10 174.84 1ia3 s ALA 51 N -2.59 2.94 -0.10 0.60 0.00 -0.73 -1.04 121.76 120.85 1ia3 s ALA 51 Ca 0.43 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 51.06 1ia3 s ALA 51 Cb -0.01 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1ia3 s ALA 51 CO 0.25 0.56 -0.19 0.14 0.00 0.00 0.00 175.76 176.51 1ia3 s VAL 52 N -1.44 1.75 -0.13 0.00 -7.23 0.67 -1.25 120.40 112.77 1ia3 s VAL 52 Ca 0.23 -0.83 -0.03 0.00 -1.81 0.00 0.00 61.98 59.54 1ia3 s VAL 52 Cb -0.10 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 1ia3 s VAL 52 CO 0.14 0.49 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.77 1ia3 s ILE 53 N 0.61 4.07 0.08 -0.62 1.01 0.34 -0.60 121.20 126.09 1ia3 s ILE 53 Ca -0.14 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.13 1ia3 s ILE 53 Cb -0.17 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 1ia3 s ILE 53 CO 0.04 0.53 0.15 0.00 0.00 0.00 0.00 174.94 175.66 1ia3 s MET 54 N -0.10 0.79 0.55 2.79 0.23 -0.68 -0.81 119.30 122.07 1ia3 s MET 54 Ca 0.03 -0.99 -0.08 0.00 -1.03 0.00 0.00 55.69 53.62 1ia3 s MET 54 Cb -0.13 0.31 -0.03 0.00 -1.53 0.00 0.00 34.83 33.45 1ia3 s MET 54 CO 0.02 -0.23 0.90 0.20 -2.03 0.00 0.00 175.02 173.88 1ia3 s GLY 55 N -2.84 1.57 0.30 3.16 0.00 -0.19 -1.32 107.32 108.00 1ia3 s GLY 55 Ca 0.05 -0.37 0.02 0.00 0.00 0.00 0.00 44.72 44.42 1ia3 s GLY 55 CO -0.11 -0.14 1.87 -0.09 0.00 0.00 0.00 173.10 174.63 1ia3 h ARG 56 N -0.04 0.96 -0.63 2.90 2.43 -1.47 -2.00 114.38 116.52 1ia3 h ARG 56 Ca -0.46 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 1ia3 h ARG 56 Cb 1.21 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 1ia3 h ARG 56 CO 0.62 0.63 0.32 0.87 -1.51 0.00 0.00 179.97 180.90 1ia3 h LYS 57 N 0.99 0.89 -0.45 0.20 1.57 -1.93 -1.41 116.57 116.42 1ia3 h LYS 57 Ca 0.46 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1ia3 h LYS 57 Cb 0.41 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1ia3 h LYS 57 CO -0.22 0.70 0.19 1.15 -0.57 0.00 0.00 179.45 180.71 1ia3 h THR 58 N 0.86 1.20 0.06 -0.16 2.02 -1.74 -2.51 112.91 112.63 1ia3 h THR 58 Ca 0.22 -0.60 0.02 0.00 0.77 0.00 0.00 66.41 66.82 1ia3 h THR 58 Cb 0.09 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1ia3 h THR 58 CO -0.03 0.22 -0.19 -0.25 0.37 0.00 0.00 175.52 175.65 1ia3 h TRP 59 N 0.59 -0.49 0.00 3.16 2.91 -1.01 -2.07 115.95 119.03 1ia3 h TRP 59 Ca 0.15 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.18 1ia3 h TRP 59 Cb 0.17 0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 29.03 1ia3 h TRP 59 CO -0.00 -0.27 -0.03 0.93 -1.03 0.00 0.00 178.44 178.04 1ia3 h GLU 60 N -0.34 0.00 0.00 2.65 5.08 -1.20 -1.11 114.58 119.66 1ia3 h GLU 60 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ia3 h GLU 60 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ia3 h GLU 60 CO -0.13 0.03 0.00 -1.13 -1.00 0.00 0.00 179.01 176.77 1ia3 n SER 61 N -3.42 0.00 -4.70 1.42 3.41 -0.79 -4.69 113.62 104.85 1ia3 n SER 61 Ca -0.02 -0.13 -0.38 0.00 -0.26 0.00 0.00 58.87 58.08 1ia3 n SER 61 Cb 0.13 -0.28 -0.07 0.00 -0.26 0.00 0.00 64.21 63.73 1ia3 n SER 61 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ia3 s ILE 62 N -2.56 5.19 0.29 -1.33 1.01 -0.42 -5.03 121.20 118.35 1ia3 s ILE 62 Ca 0.27 0.82 -0.29 0.00 0.00 0.00 0.00 60.65 61.45 1ia3 s ILE 62 Cb 0.19 -3.77 -0.13 0.00 0.01 0.00 0.00 42.46 38.76 1ia3 s ILE 62 CO 0.43 0.29 1.33 -2.65 0.00 0.00 0.00 174.94 174.34 1ia3 n PRO 63 N 4.10 2.06 0.02 2.79 -0.02 -1.26 -4.80 135.00 137.88 1ia3 n PRO 63 Ca -0.08 0.73 0.22 0.00 -2.02 0.00 0.00 63.50 62.35 1ia3 n PRO 63 Cb 0.51 -2.34 0.73 0.00 -0.02 0.00 0.00 33.50 32.39 1ia3 n PRO 63 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1ia3 h GLN 64 N 3.32 0.00 0.00 -0.52 3.07 -1.93 0.39 115.11 119.44 1ia3 h GLN 64 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1ia3 h GLN 64 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 1ia3 h GLN 64 CO 0.69 0.00 0.00 1.57 0.09 0.00 0.00 178.83 181.18 1ia3 h LYS 65 N 0.00 0.00 -0.43 0.06 -0.00 -2.02 -3.20 116.57 110.98 1ia3 h LYS 65 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.90 1ia3 h LYS 65 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 1ia3 h LYS 65 CO -0.00 0.00 0.00 1.19 -0.00 0.00 0.00 179.45 180.64 1ia3 n PHE 66 N -2.36 0.56 -4.45 0.07 3.72 0.14 -4.93 117.46 110.20 1ia3 n PHE 66 Ca 0.05 -0.28 -0.28 0.00 -0.05 0.00 0.00 57.45 56.89 1ia3 n PHE 66 Cb 0.42 -0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.83 1ia3 n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1ia3 s ARG 67 N -1.43 1.41 0.76 -1.08 1.70 -1.17 -4.08 118.95 115.05 1ia3 s ARG 67 Ca 0.40 -1.27 -0.11 0.00 -0.47 0.00 0.00 55.73 54.27 1ia3 s ARG 67 Cb 0.23 -1.81 0.04 0.00 -0.57 0.00 0.00 34.95 32.85 1ia3 s ARG 67 CO 0.32 0.43 1.09 -1.25 -1.08 0.00 0.00 175.30 174.81 1ia3 s PRO 68 N -1.90 2.43 0.17 3.89 0.04 -1.26 -4.97 135.00 133.40 1ia3 s PRO 68 Ca 0.12 0.70 -0.32 0.00 0.04 0.00 0.00 61.00 61.55 1ia3 s PRO 68 Cb -0.10 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 1ia3 s PRO 68 CO 0.05 -1.40 1.77 -0.51 0.04 0.00 0.00 177.00 176.95 1ia3 s LEU 69 N -5.66 4.38 0.51 -3.56 1.43 -1.26 -4.88 118.68 109.65 1ia3 s LEU 69 Ca 0.60 2.82 -0.21 0.00 -1.03 0.00 0.00 54.13 56.30 1ia3 s LEU 69 Cb -0.14 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.44 1ia3 s LEU 69 CO 0.54 -0.99 1.20 -2.84 0.23 0.00 0.00 176.35 174.50 1ia3 s PRO 70 N 1.85 3.44 0.00 1.29 0.02 -1.26 -3.62 135.00 136.73 1ia3 s PRO 70 Ca 0.77 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1ia3 s PRO 70 Cb -0.48 -2.23 0.00 0.00 0.02 0.00 0.00 34.50 31.81 1ia3 s PRO 70 CO 0.34 -0.83 0.00 -0.25 -0.33 0.00 0.00 177.00 175.93 1ia3 n ASP 71 N -0.91 -3.59 -4.07 2.53 10.43 -1.26 -4.98 116.55 114.70 1ia3 n ASP 71 Ca 0.10 0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.35 1ia3 n ASP 71 Cb 0.48 -1.34 -0.11 0.00 1.84 0.00 0.00 41.12 42.00 1ia3 n ASP 71 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1ia3 s ARG 72 N -0.57 0.56 -0.09 -1.24 0.52 -1.24 -4.51 118.95 112.38 1ia3 s ARG 72 Ca 0.00 -0.93 -0.30 0.00 -0.52 0.00 0.00 55.73 53.99 1ia3 s ARG 72 Cb 0.00 -0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.35 1ia3 s ARG 72 CO 0.00 -0.01 1.10 -1.17 0.02 0.00 0.00 175.30 175.24 1ia3 s LEU 73 N -2.09 4.25 -0.23 2.53 2.96 -0.20 -4.82 118.68 121.08 1ia3 s LEU 73 Ca -0.04 1.66 -0.09 0.00 -0.22 0.00 0.00 54.13 55.44 1ia3 s LEU 73 Cb -0.04 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1ia3 s LEU 73 CO -0.03 -0.52 0.12 0.20 -1.32 0.00 0.00 176.35 174.80 1ia3 s ASN 74 N 1.29 5.84 -0.12 3.68 0.02 0.67 -0.24 114.94 126.08 1ia3 s ASN 74 Ca 0.52 0.05 0.02 0.00 -1.02 0.00 0.00 52.86 52.42 1ia3 s ASN 74 Cb -0.21 -2.04 -0.01 0.00 0.02 0.00 0.00 41.25 39.01 1ia3 s ASN 74 CO 0.19 0.07 -0.18 -0.63 0.02 0.00 0.00 177.10 176.57 1ia3 s ILE 75 N 1.03 2.53 -0.08 0.60 1.01 0.24 -1.15 121.20 125.38 1ia3 s ILE 75 Ca 0.06 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.91 1ia3 s ILE 75 Cb -0.14 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 1ia3 s ILE 75 CO 0.04 0.54 -0.23 -0.63 0.00 0.00 0.00 174.94 174.66 1ia3 s ILE 76 N 0.42 2.17 -0.13 2.92 1.09 -0.07 -1.69 121.20 125.91 1ia3 s ILE 76 Ca -0.14 -1.00 -0.11 0.00 -1.10 0.00 0.00 60.65 58.30 1ia3 s ILE 76 Cb -0.17 -1.82 -0.05 0.00 -1.06 0.00 0.00 42.46 39.37 1ia3 s ILE 76 CO 0.06 0.56 0.24 -0.76 -0.10 0.00 0.00 174.94 174.95 1ia3 s LEU 77 N 0.10 4.32 -0.13 2.97 1.43 -0.44 -1.51 118.68 125.42 1ia3 s LEU 77 Ca -0.11 0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 53.38 1ia3 s LEU 77 Cb -0.16 -2.28 0.04 0.00 0.03 0.00 0.00 46.19 43.82 1ia3 s LEU 77 CO 0.06 0.24 0.38 -0.55 0.23 0.00 0.00 176.35 176.71 1ia3 s SER 78 N -0.24 -0.38 0.00 2.29 0.15 -0.98 -1.10 113.70 113.44 1ia3 s SER 78 Ca 0.16 0.70 0.18 0.00 0.70 0.00 0.00 55.95 57.69 1ia3 s SER 78 Cb -0.13 0.73 0.80 0.00 -1.71 0.00 0.00 66.02 65.71 1ia3 s SER 78 CO 0.05 -0.17 1.58 0.54 1.20 0.00 0.00 173.24 176.43 1ia3 n ARG 79 N 2.67 0.03 0.00 5.44 1.74 -1.26 -2.24 116.66 123.04 1ia3 n ARG 79 Ca -0.14 0.18 0.12 0.00 -0.77 0.00 0.00 57.85 57.23 1ia3 n ARG 79 Cb 0.57 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.68 1ia3 n ARG 79 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ia3 n SER 80 N -1.47 1.34 -4.93 0.55 7.64 -1.26 -4.96 113.62 110.53 1ia3 n SER 80 Ca 0.05 -1.07 -0.25 0.00 1.01 0.00 0.00 58.87 58.61 1ia3 n SER 80 Cb 0.21 0.37 0.02 0.00 -1.01 0.00 0.00 64.21 63.80 1ia3 n SER 80 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ia3 s TYR 81 N -2.60 3.27 0.11 1.43 2.02 -0.95 -5.09 117.35 115.54 1ia3 s TYR 81 Ca 0.19 0.52 0.03 0.00 -0.37 0.00 0.00 57.07 57.44 1ia3 s TYR 81 Cb 0.18 -2.57 -0.04 0.00 -0.40 0.00 0.00 41.96 39.14 1ia3 s TYR 81 CO 0.60 -0.63 0.17 -1.21 -1.57 0.00 0.00 175.55 172.91 1ia3 s GLU 82 N -4.83 3.15 0.07 -0.62 0.41 -1.26 -4.43 118.70 111.19 1ia3 s GLU 82 Ca 0.52 -0.66 -0.31 0.00 -0.41 0.00 0.00 54.97 54.11 1ia3 s GLU 82 Cb -0.10 -2.84 -0.08 0.00 -1.78 0.00 0.00 34.13 29.33 1ia3 s GLU 82 CO 0.43 0.54 1.70 -0.80 -0.49 0.00 0.00 175.26 176.64 1ia3 s ASN 83 N -2.81 6.57 -0.21 -0.19 0.02 -1.26 -4.49 114.94 112.57 1ia3 s ASN 83 Ca 0.32 2.52 -0.16 0.00 -1.02 0.00 0.00 52.86 54.52 1ia3 s ASN 83 Cb -0.12 -2.56 0.06 0.00 0.02 0.00 0.00 41.25 38.66 1ia3 s ASN 83 CO 0.25 -0.92 0.54 -0.70 0.02 0.00 0.00 177.10 176.30 1ia3 s GLU 84 N 2.87 0.59 -0.33 -0.60 2.12 -0.39 -5.00 118.70 117.96 1ia3 s GLU 84 Ca 0.76 0.86 -0.20 0.00 0.36 0.00 0.00 54.97 56.74 1ia3 s GLU 84 Cb -0.40 0.20 -0.00 0.00 0.26 0.00 0.00 34.13 34.18 1ia3 s GLU 84 CO 0.33 -0.11 0.62 0.42 -0.54 0.00 0.00 175.26 175.98 1ia3 s ILE 85 N 0.82 4.92 -0.08 -3.70 1.01 -1.26 -0.65 121.20 122.25 1ia3 s ILE 85 Ca -0.04 0.68 -0.23 0.00 0.00 0.00 0.00 60.65 61.06 1ia3 s ILE 85 Cb -0.05 -4.03 -0.19 0.00 0.01 0.00 0.00 42.46 38.20 1ia3 s ILE 85 CO -0.07 -0.23 0.82 0.40 0.00 0.00 0.00 174.94 175.87 1ia3 h ILE 86 N 5.61 1.23 -1.67 2.92 2.04 -1.34 -3.49 117.51 122.81 1ia3 h ILE 86 Ca -0.27 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.01 1ia3 h ILE 86 Cb 1.12 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1ia3 h ILE 86 CO 0.81 0.36 0.00 -0.90 0.00 0.00 0.00 178.15 178.43 1ia3 n ASP 87 N -4.78 0.00 0.28 1.72 3.85 -1.08 -5.00 116.55 111.54 1ia3 n ASP 87 Ca -0.08 -0.67 0.15 0.00 -0.71 0.00 0.00 54.79 53.48 1ia3 n ASP 87 Cb 0.32 0.00 0.79 0.00 -1.35 0.00 0.00 41.12 40.88 1ia3 n ASP 87 CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.20 175.41 1ia3 h ASP 88 N 0.00 0.00 0.00 -1.12 -0.00 -2.03 -3.05 116.42 110.22 1ia3 h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ia3 h ASP 88 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1ia3 h ASP 88 CO 0.00 0.08 -0.81 0.59 -0.00 0.00 0.00 179.24 179.10 1ia3 n ASN 89 N -3.47 0.85 -3.99 2.28 5.03 -1.26 -4.89 115.26 109.80 1ia3 n ASN 89 Ca -0.02 -0.67 -0.22 0.00 0.87 0.00 0.00 54.58 54.54 1ia3 n ASN 89 Cb 0.22 1.11 -0.16 0.00 -1.02 0.00 0.00 39.78 39.94 1ia3 n ASN 89 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ia3 s ILE 90 N -2.39 0.88 0.02 2.41 1.01 -1.15 -0.24 121.20 121.73 1ia3 s ILE 90 Ca 0.03 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1ia3 s ILE 90 Cb 0.10 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 1ia3 s ILE 90 CO 0.55 0.29 -0.13 -0.63 0.00 0.00 0.00 174.94 175.02 1ia3 s ILE 91 N 0.51 0.99 -0.10 2.92 1.01 -0.30 -0.79 121.20 125.43 1ia3 s ILE 91 Ca -0.09 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 1ia3 s ILE 91 Cb -0.13 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 1ia3 s ILE 91 CO 0.02 0.10 -0.00 -1.00 0.00 0.00 0.00 174.94 174.05 1ia3 s HIS 92 N -0.61 3.14 -0.01 3.97 3.76 0.17 -0.89 115.29 124.81 1ia3 s HIS 92 Ca 0.02 0.10 0.03 0.00 -0.15 0.00 0.00 55.06 55.07 1ia3 s HIS 92 Cb -0.06 -1.83 -0.01 0.00 1.11 0.00 0.00 32.58 31.79 1ia3 s HIS 92 CO 0.00 0.36 -0.10 0.00 -0.85 0.00 0.00 174.74 174.16 1ia3 s ALA 93 N -0.60 0.83 -1.68 -1.40 0.00 -0.57 -1.27 121.76 117.08 1ia3 s ALA 93 Ca 0.10 -0.44 0.24 0.00 0.00 0.00 0.00 51.96 51.86 1ia3 s ALA 93 Cb -0.12 -0.21 0.36 0.00 0.00 0.00 0.00 23.12 23.16 1ia3 s ALA 93 CO 0.02 0.20 1.32 -1.13 0.00 0.00 0.00 175.76 176.17 1ia3 n SER 94 N 2.81 1.29 -3.67 0.00 3.41 -1.26 -2.31 113.62 113.89 1ia3 n SER 94 Ca -0.14 -1.03 -0.10 0.00 -0.26 0.00 0.00 58.87 57.34 1ia3 n SER 94 Cb 0.57 0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 64.83 1ia3 n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ia3 s SER 95 N -2.61 -0.22 0.20 4.04 1.04 -1.26 -4.57 113.70 110.33 1ia3 s SER 95 Ca 0.19 -0.37 -0.10 0.00 0.48 0.00 0.00 55.95 56.15 1ia3 s SER 95 Cb 0.18 0.48 0.14 0.00 0.10 0.00 0.00 66.02 66.93 1ia3 s SER 95 CO 0.60 -0.88 1.83 0.40 0.98 0.00 0.00 173.24 176.17 1ia3 h ILE 96 N 2.36 1.22 -0.69 -1.02 2.04 -1.99 -1.50 117.51 117.92 1ia3 h ILE 96 Ca -0.33 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.03 1ia3 h ILE 96 Cb 1.25 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1ia3 h ILE 96 CO 0.46 0.24 0.44 -0.33 0.00 0.00 0.00 178.15 178.96 1ia3 h GLU 97 N 1.02 0.85 -0.59 2.37 3.07 -1.99 -2.10 114.58 117.22 1ia3 h GLU 97 Ca 0.26 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.99 1ia3 h GLU 97 Cb 0.01 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.70 1ia3 h GLU 97 CO -0.04 0.57 0.03 0.77 -1.40 0.00 0.00 179.01 178.93 1ia3 h SER 98 N 0.88 0.99 -0.89 1.42 0.02 -1.91 -2.95 113.55 111.11 1ia3 h SER 98 Ca 0.27 -0.29 0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1ia3 h SER 98 Cb -0.03 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.19 1ia3 h SER 98 CO -0.09 1.04 0.58 0.77 -1.14 0.00 0.00 176.83 177.99 1ia3 h SER 99 N 0.91 0.86 0.50 3.07 4.64 -0.67 0.36 113.55 123.22 1ia3 h SER 99 Ca 0.17 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1ia3 h SER 99 Cb 0.51 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1ia3 h SER 99 CO 0.02 0.54 0.00 0.18 -0.87 0.00 0.00 176.83 176.71 1ia3 n LEU 100 N -4.50 0.00 -0.72 5.97 4.77 -0.85 -2.45 117.00 119.22 1ia3 n LEU 100 Ca 0.14 0.26 0.12 0.00 -0.03 0.00 0.00 56.01 56.49 1ia3 n LEU 100 Cb 0.23 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1ia3 n LEU 100 CO 0.32 -0.00 0.48 0.59 -1.33 0.00 0.00 177.39 177.45 1ia3 n ASN 101 N -1.26 2.49 -1.19 -1.43 5.03 0.08 -4.42 115.26 114.56 1ia3 n ASN 101 Ca 0.15 -1.75 -0.05 0.00 0.87 0.00 0.00 54.58 53.80 1ia3 n ASN 101 Cb 0.22 0.23 0.18 0.00 -1.02 0.00 0.00 39.78 39.39 1ia3 n ASN 101 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1ia3 n LEU 102 N 0.66 4.10 -1.87 3.41 4.77 -0.97 -4.64 117.00 122.46 1ia3 n LEU 102 Ca 0.12 -3.91 -0.12 0.00 -0.03 0.00 0.00 56.01 52.07 1ia3 n LEU 102 Cb 0.53 -0.61 0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1ia3 n LEU 102 CO 0.21 1.37 0.17 1.33 -1.33 0.00 0.00 177.39 179.15 1ia3 n VAL 103 N -1.09 2.08 0.23 4.08 0.24 -1.26 -4.84 118.33 117.77 1ia3 n VAL 103 Ca 0.33 -3.60 0.12 0.00 -2.04 0.00 0.00 64.34 59.15 1ia3 n VAL 103 Cb 0.97 -0.38 0.47 0.00 -1.47 0.00 0.00 33.84 33.43 1ia3 n VAL 103 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1ia3 h SER 104 N 1.96 0.00 -0.61 -1.34 4.64 -1.91 -3.18 113.55 113.12 1ia3 h SER 104 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1ia3 h SER 104 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1ia3 h SER 104 CO 0.47 0.16 0.00 0.47 -0.87 0.00 0.00 176.83 177.05 1ia3 n ASP 105 N -3.27 3.77 -4.61 4.97 9.92 -1.26 -5.00 116.55 121.07 1ia3 n ASP 105 Ca 0.01 -2.00 -0.24 0.00 -0.53 0.00 0.00 54.79 52.03 1ia3 n ASP 105 Cb 0.42 -0.40 -0.09 0.00 -0.64 0.00 0.00 41.12 40.41 1ia3 n ASP 105 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1ia3 s VAL 106 N -1.17 2.69 -0.12 2.53 -7.23 -1.20 -4.71 120.40 111.19 1ia3 s VAL 106 Ca 0.45 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.56 1ia3 s VAL 106 Cb 0.24 -2.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 1ia3 s VAL 106 CO 0.32 -0.24 -0.01 -0.08 -0.31 0.00 0.00 175.10 174.79 1ia3 h GLU 107 N 1.87 0.00 -5.86 4.82 4.81 -1.49 -3.48 114.58 115.26 1ia3 h GLU 107 Ca -0.43 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.29 1ia3 h GLU 107 Cb 1.25 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.47 1ia3 h GLU 107 CO 0.66 0.07 -0.76 1.03 -0.73 0.00 0.00 179.01 179.28 1ia3 s ARG 108 N -1.79 1.38 -0.10 1.92 0.52 -1.26 -4.53 118.95 115.09 1ia3 s ARG 108 Ca -0.06 -1.56 0.03 0.00 -0.52 0.00 0.00 55.73 53.63 1ia3 s ARG 108 Cb 0.01 -1.34 -0.01 0.00 0.52 0.00 0.00 34.95 34.12 1ia3 s ARG 108 CO 0.11 0.25 -0.20 0.08 0.02 0.00 0.00 175.30 175.56 1ia3 s VAL 109 N -2.51 2.46 -0.16 3.52 1.01 0.40 -1.77 120.40 123.36 1ia3 s VAL 109 Ca 0.21 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1ia3 s VAL 109 Cb -0.04 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1ia3 s VAL 109 CO 0.08 0.55 -0.13 -0.36 0.00 0.00 0.00 175.10 175.25 1ia3 s PHE 110 N 0.23 2.82 -0.34 5.22 0.08 -0.38 -1.38 117.98 124.23 1ia3 s PHE 110 Ca -0.13 -0.90 -0.22 0.00 0.12 0.00 0.00 56.93 55.80 1ia3 s PHE 110 Cb -0.16 -1.91 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 1ia3 s PHE 110 CO 0.07 -0.40 0.73 0.42 -0.10 0.00 0.00 175.22 175.93 1ia3 s ILE 111 N 0.78 4.81 -0.87 0.64 1.01 0.22 -0.50 121.20 127.28 1ia3 s ILE 111 Ca -0.05 0.87 0.17 0.00 0.00 0.00 0.00 60.65 61.64 1ia3 s ILE 111 Cb -0.15 -4.14 -0.18 0.00 0.01 0.00 0.00 42.46 38.00 1ia3 s ILE 111 CO 0.01 -0.33 0.75 2.30 0.00 0.00 0.00 174.94 177.67 1ia3 n ILE 112 N 5.64 0.00 0.00 2.92 -5.35 0.01 -1.83 119.36 120.75 1ia3 n ILE 112 Ca 0.02 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1ia3 n ILE 112 Cb 0.48 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 1ia3 n ILE 112 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ia3 n GLY 113 N 1.40 0.96 0.00 3.28 0.00 -1.25 -4.89 105.19 104.68 1ia3 n GLY 113 Ca 0.04 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1ia3 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ia3 n GLY 114 N -1.95 1.44 0.17 -0.02 0.00 -1.26 -1.02 105.19 102.55 1ia3 n GLY 114 Ca 0.00 -1.68 -0.05 0.00 0.00 0.00 0.00 46.02 44.30 1ia3 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ia3 h ALA 115 N -1.47 0.45 -0.68 4.61 0.00 -1.96 -0.04 119.26 120.17 1ia3 h ALA 115 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ia3 h ALA 115 Cb 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1ia3 h ALA 115 CO 0.00 -0.30 0.25 1.49 0.00 0.00 0.00 179.25 180.68 1ia3 h GLU 116 N 0.23 1.03 -0.24 0.00 4.81 -1.98 -1.81 114.58 116.63 1ia3 h GLU 116 Ca 0.19 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1ia3 h GLU 116 Cb 0.22 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1ia3 h GLU 116 CO -0.24 0.87 0.07 0.82 -0.73 0.00 0.00 179.01 179.80 1ia3 h ILE 117 N 0.97 1.20 -0.51 2.32 1.08 -1.73 -1.57 117.51 119.28 1ia3 h ILE 117 Ca 0.22 -0.66 0.09 0.00 -0.39 0.00 0.00 64.86 64.12 1ia3 h ILE 117 Cb 0.25 1.18 -0.07 0.00 -3.07 0.00 0.00 36.82 35.11 1ia3 h ILE 117 CO -0.01 0.21 0.09 1.88 -0.69 0.00 0.00 178.15 179.63 1ia3 h TYR 118 N 0.22 0.14 0.00 1.37 0.05 -0.76 -0.87 116.97 117.12 1ia3 h TYR 118 Ca 0.08 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 1ia3 h TYR 118 Cb 0.26 0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 1ia3 h TYR 118 CO 0.01 -0.02 -0.19 -0.91 -1.05 0.00 0.00 178.16 176.00 1ia3 h ASN 119 N 0.22 0.00 1.14 3.88 2.35 -0.99 -1.96 115.58 120.23 1ia3 h ASN 119 Ca 0.26 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.88 1ia3 h ASN 119 Cb 0.35 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1ia3 h ASN 119 CO -0.34 0.19 -0.91 -0.33 -1.65 0.00 0.00 177.43 174.39 1ia3 h GLU 120 N 0.00 0.00 0.00 0.81 5.08 -0.62 -3.37 114.58 116.48 1ia3 h GLU 120 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ia3 h GLU 120 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ia3 h GLU 120 CO 0.02 0.37 -1.49 1.28 -1.00 0.00 0.00 179.01 178.19 1ia3 n LEU 121 N -3.05 0.41 0.01 1.33 7.99 -0.39 -4.43 117.00 118.87 1ia3 n LEU 121 Ca -0.03 -0.05 0.10 0.00 -0.01 0.00 0.00 56.01 56.03 1ia3 n LEU 121 Cb 0.76 -0.03 0.53 0.00 -0.11 0.00 0.00 43.42 44.58 1ia3 n LEU 121 CO 0.41 0.03 1.16 -0.29 -1.51 0.00 0.00 177.39 177.19 1ia3 h ILE 122 N 0.00 0.95 -0.36 -0.08 6.09 -1.53 -1.17 117.51 121.42 1ia3 h ILE 122 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1ia3 h ILE 122 Cb 0.86 0.60 0.00 0.00 0.47 0.00 0.00 36.82 38.75 1ia3 h ILE 122 CO 0.00 0.06 0.00 0.59 -3.07 0.00 0.00 178.15 175.73 1ia3 n ASN 123 N -4.47 2.66 -4.69 2.19 5.03 -1.26 -4.91 115.26 109.81 1ia3 n ASN 123 Ca 0.06 -1.90 -0.42 0.00 0.87 0.00 0.00 54.58 53.18 1ia3 n ASN 123 Cb 0.27 -0.23 -0.03 0.00 -1.02 0.00 0.00 39.78 38.77 1ia3 n ASN 123 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1ia3 s ASN 124 N -1.37 7.15 0.65 6.41 3.04 -0.44 -4.91 114.94 125.48 1ia3 s ASN 124 Ca 0.35 1.64 0.43 0.00 0.04 0.00 0.00 52.86 55.33 1ia3 s ASN 124 Cb 0.20 -2.56 2.28 0.00 -1.54 0.00 0.00 41.25 39.63 1ia3 s ASN 124 CO 0.27 -0.52 2.32 0.77 -3.04 0.00 0.00 177.10 176.90 1ia3 h SER 125 N 7.29 0.00 0.25 -4.21 4.64 -1.91 -1.23 113.55 118.39 1ia3 h SER 125 Ca -0.31 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.95 1ia3 h SER 125 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1ia3 h SER 125 CO 0.88 0.00 -0.27 -0.07 -0.87 0.00 0.00 176.83 176.50 1ia3 h LEU 126 N 0.00 0.02 -8.97 5.97 3.38 -1.93 -3.41 115.31 110.37 1ia3 h LEU 126 Ca -0.00 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1ia3 h LEU 126 Cb 0.08 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1ia3 h LEU 126 CO 0.00 0.29 1.01 -0.69 0.09 0.00 0.00 178.44 179.14 1ia3 s VAL 127 N -4.44 4.04 -0.54 1.22 1.01 -0.47 -3.89 120.40 117.34 1ia3 s VAL 127 Ca -0.04 1.17 0.05 0.00 0.00 0.00 0.00 61.98 63.16 1ia3 s VAL 127 Cb 0.15 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.53 1ia3 s VAL 127 CO 0.71 -0.44 0.74 -1.54 0.00 0.00 0.00 175.10 174.58 1ia3 n SER 128 N 7.82 1.59 -3.85 3.32 3.41 -0.68 -4.92 113.62 120.31 1ia3 n SER 128 Ca 0.16 -1.36 -0.12 0.00 -0.26 0.00 0.00 58.87 57.29 1ia3 n SER 128 Cb 0.46 -0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 64.27 1ia3 n SER 128 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ia3 s HIS 129 N -0.51 -0.07 -0.15 7.33 3.76 -1.23 -4.33 115.29 120.09 1ia3 s HIS 129 Ca 0.06 0.18 -0.00 0.00 -0.15 0.00 0.00 55.06 55.15 1ia3 s HIS 129 Cb 0.04 0.01 -0.01 0.00 1.11 0.00 0.00 32.58 33.74 1ia3 s HIS 129 CO 0.06 -0.09 -0.14 -0.51 -0.85 0.00 0.00 174.74 173.21 1ia3 s LEU 130 N -0.22 2.60 -0.44 0.89 1.43 -0.80 -1.82 118.68 120.32 1ia3 s LEU 130 Ca -0.03 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.58 1ia3 s LEU 130 Cb -0.02 -1.60 0.10 0.00 0.03 0.00 0.00 46.19 44.70 1ia3 s LEU 130 CO 0.00 0.11 0.29 -0.76 0.23 0.00 0.00 176.35 176.22 1ia3 s LEU 131 N 0.68 5.40 -0.16 1.79 1.02 0.44 -0.81 118.68 127.03 1ia3 s LEU 131 Ca -0.07 -1.75 -0.02 0.00 0.02 0.00 0.00 54.13 52.31 1ia3 s LEU 131 Cb -0.15 -1.98 -0.02 0.00 0.02 0.00 0.00 46.19 44.06 1ia3 s LEU 131 CO 0.02 -0.61 -0.08 -0.63 0.02 0.00 0.00 176.35 175.08 1ia3 s ILE 132 N 1.36 3.39 -0.47 -0.59 1.01 -0.75 -1.24 121.20 123.92 1ia3 s ILE 132 Ca 0.05 -0.52 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 1ia3 s ILE 132 Cb -0.24 -2.48 0.03 0.00 0.01 0.00 0.00 42.46 39.77 1ia3 s ILE 132 CO -0.00 0.48 0.88 -0.89 0.00 0.00 0.00 174.94 175.41 1ia3 s THR 133 N 0.70 4.52 -0.31 2.92 2.01 0.13 -1.67 115.64 123.94 1ia3 s THR 133 Ca -0.04 0.58 -0.20 0.00 0.31 0.00 0.00 61.69 62.34 1ia3 s THR 133 Cb -0.15 -4.41 -0.01 0.00 0.01 0.00 0.00 72.50 67.94 1ia3 s THR 133 CO 0.02 -0.83 0.64 -1.61 -0.69 0.00 0.00 174.62 172.15 1ia3 s GLU 134 N 3.62 3.89 -0.04 4.92 2.02 -0.56 -1.18 118.70 131.37 1ia3 s GLU 134 Ca 0.34 0.29 -0.02 0.00 0.02 0.00 0.00 54.97 55.60 1ia3 s GLU 134 Cb -0.11 -3.73 -0.04 0.00 0.10 0.00 0.00 34.13 30.35 1ia3 s GLU 134 CO 0.24 -0.59 0.09 0.42 0.02 0.00 0.00 175.26 175.45 1ia3 s ILE 135 N 2.63 4.88 0.09 -1.63 1.01 0.68 -2.24 121.20 126.61 1ia3 s ILE 135 Ca 0.25 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.70 1ia3 s ILE 135 Cb -0.15 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 1ia3 s ILE 135 CO 0.12 0.43 -0.12 -1.61 0.00 0.00 0.00 174.94 173.76 1ia3 s GLU 136 N -1.50 0.83 -0.05 2.79 2.02 0.15 -0.49 118.70 122.45 1ia3 s GLU 136 Ca 0.21 -1.05 -0.12 0.00 0.02 0.00 0.00 54.97 54.02 1ia3 s GLU 136 Cb -0.12 -0.68 0.02 0.00 0.10 0.00 0.00 34.13 33.46 1ia3 s GLU 136 CO 0.11 0.13 0.28 -1.58 0.02 0.00 0.00 175.26 174.22 1ia3 s HIS 137 N -1.84 -0.20 0.50 1.61 2.46 -1.26 -1.51 115.29 115.03 1ia3 s HIS 137 Ca 0.02 0.40 0.15 0.00 0.47 0.00 0.00 55.06 56.09 1ia3 s HIS 137 Cb -0.07 0.08 1.19 0.00 -0.13 0.00 0.00 32.58 33.65 1ia3 s HIS 137 CO 0.01 -0.30 2.12 -1.00 -2.47 0.00 0.00 174.74 173.11 1ia3 h PRO 138 N 4.54 0.08 -2.06 2.88 0.13 -2.00 -3.30 132.00 132.26 1ia3 h PRO 138 Ca -0.29 -0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.29 1ia3 h PRO 138 Cb 1.18 -0.02 -0.37 0.00 0.13 0.00 0.00 31.00 31.93 1ia3 h PRO 138 CO 0.37 0.07 -1.00 -1.13 -0.23 0.00 0.00 178.00 176.08 1ia3 n SER 139 N -4.51 -0.41 -0.02 1.44 3.41 -1.26 -4.99 113.62 107.28 1ia3 n SER 139 Ca -0.02 -2.57 0.21 0.00 -0.26 0.00 0.00 58.87 56.23 1ia3 n SER 139 Cb 0.10 -0.41 0.69 0.00 -0.26 0.00 0.00 64.21 64.33 1ia3 n SER 139 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1ia3 h PRO 140 N 4.83 0.01 0.00 4.33 0.13 -1.90 -0.95 132.00 138.46 1ia3 h PRO 140 Ca 0.16 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1ia3 h PRO 140 Cb 0.91 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1ia3 h PRO 140 CO 0.39 0.01 0.00 1.05 -0.23 0.00 0.00 178.00 179.22 1ia3 h GLU 141 N 0.01 0.00 0.00 0.86 9.09 -1.94 -2.15 114.58 120.45 1ia3 h GLU 141 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.68 1ia3 h GLU 141 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.17 1ia3 h GLU 141 CO -0.01 0.00 0.00 0.43 0.05 0.00 0.00 179.01 179.48 1ia3 n SER 142 N -2.55 0.44 -4.64 3.06 7.64 -0.36 -4.73 113.62 112.49 1ia3 n SER 142 Ca 0.01 0.55 -0.38 0.00 1.01 0.00 0.00 58.87 60.06 1ia3 n SER 142 Cb 0.20 -0.67 -0.09 0.00 -1.01 0.00 0.00 64.21 62.64 1ia3 n SER 142 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ia3 s ILE 143 N -3.08 5.23 0.03 0.44 -1.09 -0.81 -5.04 121.20 116.88 1ia3 s ILE 143 Ca 0.11 0.50 -0.30 0.00 -2.23 0.00 0.00 60.65 58.73 1ia3 s ILE 143 Cb 0.14 -3.65 -0.06 0.00 -1.58 0.00 0.00 42.46 37.31 1ia3 s ILE 143 CO 0.52 0.23 1.39 -1.61 -1.23 0.00 0.00 174.94 174.25 1ia3 s GLU 144 N 1.58 4.30 -0.14 2.79 2.02 -1.26 -5.01 118.70 122.98 1ia3 s GLU 144 Ca 0.14 1.99 -0.13 0.00 0.02 0.00 0.00 54.97 56.99 1ia3 s GLU 144 Cb -0.15 -3.48 0.04 0.00 0.10 0.00 0.00 34.13 30.64 1ia3 s GLU 144 CO 0.08 -0.52 0.37 1.41 0.02 0.00 0.00 175.26 176.62 1ia3 s MET 145 N 1.98 0.43 0.00 1.61 1.75 -1.26 -4.59 119.30 119.22 1ia3 s MET 145 Ca 0.64 0.52 0.00 0.00 -1.25 0.00 0.00 55.69 55.60 1ia3 s MET 145 Cb -0.33 0.20 0.00 0.00 2.84 0.00 0.00 34.83 37.54 1ia3 s MET 145 CO 0.28 -0.06 0.51 -0.40 -0.65 0.00 0.00 175.02 174.70 1ia3 n ASP 146 N 2.93 0.83 -3.81 1.11 5.68 -0.89 -5.00 116.55 117.40 1ia3 n ASP 146 Ca -0.13 -1.25 -0.18 0.00 -0.50 0.00 0.00 54.79 52.72 1ia3 n ASP 146 Cb 0.57 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.39 1ia3 n ASP 146 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1ia3 s THR 147 N -0.25 0.22 0.19 2.12 2.01 -1.13 -5.00 115.64 113.80 1ia3 s THR 147 Ca 0.00 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.14 1ia3 s THR 147 Cb 0.00 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 72.13 1ia3 s THR 147 CO 0.00 0.17 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.68 1ia3 s PHE 148 N 1.25 1.45 0.06 4.92 0.40 -1.26 -0.64 117.98 124.16 1ia3 s PHE 148 Ca -0.07 -0.81 -0.21 0.00 -0.60 0.00 0.00 56.93 55.25 1ia3 s PHE 148 Cb -0.13 -0.78 -0.06 0.00 0.51 0.00 0.00 43.02 42.55 1ia3 s PHE 148 CO -0.02 0.06 0.62 -0.51 0.70 0.00 0.00 175.22 176.07 1ia3 s LEU 149 N -3.25 4.50 -0.67 -0.37 1.43 -0.22 -4.87 118.68 115.22 1ia3 s LEU 149 Ca 0.23 1.29 0.05 0.00 -1.03 0.00 0.00 54.13 54.66 1ia3 s LEU 149 Cb 0.04 -2.97 0.27 0.00 0.03 0.00 0.00 46.19 43.55 1ia3 s LEU 149 CO 0.05 0.20 0.87 0.29 0.23 0.00 0.00 176.35 177.99 1ia3 n LYS 150 N 2.09 2.89 -4.10 1.70 4.76 -1.26 -4.90 118.16 119.34 1ia3 n LYS 150 Ca -0.08 -4.70 -0.36 0.00 -2.87 0.00 0.00 58.31 50.29 1ia3 n LYS 150 Cb 0.51 -2.28 -0.08 0.00 -1.84 0.00 0.00 35.03 31.34 1ia3 n LYS 150 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ia3 s PHE 151 N -2.73 3.41 -1.34 2.13 0.08 -1.26 -4.98 117.98 113.28 1ia3 s PHE 151 Ca 0.41 0.38 -0.10 0.00 0.12 0.00 0.00 56.93 57.73 1ia3 s PHE 151 Cb 0.17 -1.87 0.12 0.00 -0.57 0.00 0.00 43.02 40.87 1ia3 s PHE 151 CO -0.03 0.62 2.02 -0.35 -0.10 0.00 0.00 175.22 177.38 1ia3 n PRO 152 N 2.04 3.44 0.29 0.24 -0.04 -1.26 -4.75 135.00 134.97 1ia3 n PRO 152 Ca -0.19 -3.23 0.18 0.00 -0.04 0.00 0.00 63.50 60.22 1ia3 n PRO 152 Cb 0.54 -3.01 0.93 0.00 -0.04 0.00 0.00 33.50 31.92 1ia3 n PRO 152 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ia3 h LEU 153 N 8.36 0.00 -1.91 1.53 4.07 -1.95 0.82 115.31 126.24 1ia3 h LEU 153 Ca 0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.43 1ia3 h LEU 153 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1ia3 h LEU 153 CO 1.70 0.00 0.00 1.05 -1.08 0.00 0.00 178.44 180.11 1ia3 h GLU 154 N 0.00 0.00 -0.46 1.13 9.09 -2.03 -2.12 114.58 120.19 1ia3 h GLU 154 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 1ia3 h GLU 154 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 1ia3 h GLU 154 CO -0.00 0.00 0.00 0.43 0.05 0.00 0.00 179.01 179.49 1ia3 n SER 155 N -3.07 2.81 -4.23 3.06 7.64 0.28 -4.91 113.62 115.20 1ia3 n SER 155 Ca -0.00 -1.95 -0.15 0.00 1.01 0.00 0.00 58.87 57.77 1ia3 n SER 155 Cb 0.23 -0.30 -0.10 0.00 -1.01 0.00 0.00 64.21 63.03 1ia3 n SER 155 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ia3 s TRP 156 N -1.40 1.24 -0.07 1.43 0.52 -0.80 -1.25 118.94 118.61 1ia3 s TRP 156 Ca 0.36 -0.68 0.03 0.00 0.02 0.00 0.00 56.10 55.83 1ia3 s TRP 156 Cb 0.19 -0.65 0.01 0.00 -1.15 0.00 0.00 33.47 31.88 1ia3 s TRP 156 CO 0.26 0.08 -0.16 0.99 0.02 0.00 0.00 176.95 178.14 1ia3 s THR 157 N -2.80 1.43 -0.12 2.01 2.01 0.76 -4.76 115.64 114.17 1ia3 s THR 157 Ca 0.12 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.17 1ia3 s THR 157 Cb -0.01 -1.27 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 1ia3 s THR 157 CO 0.01 0.42 0.97 -0.75 -0.69 0.00 0.00 174.62 174.58 1ia3 s LYS 158 N 0.51 4.39 0.54 4.92 2.20 -1.26 -1.25 119.74 129.79 1ia3 s LYS 158 Ca -0.15 1.30 -0.07 0.00 -0.36 0.00 0.00 55.97 56.69 1ia3 s LYS 158 Cb -0.16 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 1ia3 s LYS 158 CO 0.05 -0.32 0.88 -0.65 -0.36 0.00 0.00 175.35 174.96 1ia3 s GLN 159 N 2.04 3.53 0.79 4.03 -1.52 0.71 -4.99 119.66 124.25 1ia3 s GLN 159 Ca 0.46 0.40 -0.12 0.00 -1.95 0.00 0.00 55.36 54.14 1ia3 s GLN 159 Cb -0.18 -2.26 0.07 0.00 -0.22 0.00 0.00 33.01 30.42 1ia3 s GLN 159 CO 0.16 -0.37 1.14 -2.14 -0.25 0.00 0.00 175.29 173.83 1ia3 s PRO 160 N -4.92 1.94 0.33 2.91 0.02 -1.26 -4.59 135.00 129.43 1ia3 s PRO 160 Ca 0.51 1.46 0.07 0.00 0.02 0.00 0.00 61.00 63.06 1ia3 s PRO 160 Cb -0.11 -1.84 0.75 0.00 0.02 0.00 0.00 34.50 33.33 1ia3 s PRO 160 CO 0.48 -1.93 1.85 -0.22 -0.33 0.00 0.00 177.00 176.85 1ia3 h LYS 161 N -0.96 0.75 -0.19 5.54 3.64 -1.96 0.53 116.57 123.90 1ia3 h LYS 161 Ca -0.45 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 58.93 1ia3 h LYS 161 Cb 1.26 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1ia3 h LYS 161 CO 0.48 0.49 0.14 0.66 -2.27 0.00 0.00 179.45 178.95 1ia3 h SER 162 N 0.77 0.07 -0.16 4.20 4.64 -1.99 0.20 113.55 121.28 1ia3 h SER 162 Ca 0.48 -0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.58 1ia3 h SER 162 Cb 0.70 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1ia3 h SER 162 CO -0.24 0.05 -0.76 -0.33 -0.87 0.00 0.00 176.83 174.67 1ia3 h GLU 163 N 0.08 0.80 -0.40 4.77 4.39 -1.24 -1.97 114.58 121.02 1ia3 h GLU 163 Ca 0.09 -0.65 -0.03 0.00 0.34 0.00 0.00 59.36 59.11 1ia3 h GLU 163 Cb 0.25 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1ia3 h GLU 163 CO -0.01 1.25 0.12 1.25 -1.16 0.00 0.00 179.01 180.47 1ia3 h LEU 164 N 0.54 0.58 -1.11 1.33 5.85 -1.09 -2.03 115.31 119.38 1ia3 h LEU 164 Ca -0.05 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.55 1ia3 h LEU 164 Cb 1.39 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 1ia3 h LEU 164 CO 0.16 0.63 0.61 -0.61 -0.34 0.00 0.00 178.44 178.88 1ia3 h GLN 165 N 0.49 0.98 -0.49 1.25 5.75 -0.57 -1.74 115.11 120.79 1ia3 h GLN 165 Ca 0.13 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.49 1ia3 h GLN 165 Cb 0.26 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1ia3 h GLN 165 CO -0.00 0.65 -0.01 0.87 -2.65 0.00 0.00 178.83 177.69 1ia3 h LYS 166 N 1.01 0.87 -0.43 1.69 1.57 -1.05 -1.56 116.57 118.68 1ia3 h LYS 166 Ca 0.43 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1ia3 h LYS 166 Cb 0.31 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1ia3 h LYS 166 CO -0.18 0.91 0.22 0.35 -0.57 0.00 0.00 179.45 180.18 1ia3 h PHE 167 N 0.73 0.40 -0.01 -1.35 3.04 -0.64 -3.11 116.94 116.00 1ia3 h PHE 167 Ca 0.14 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1ia3 h PHE 167 Cb 0.52 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1ia3 h PHE 167 CO 0.04 0.21 -0.21 1.33 -2.02 0.00 0.00 178.31 177.66 1ia3 n VAL 168 N -4.90 0.00 0.00 1.41 0.24 -0.72 -5.02 118.33 109.33 1ia3 n VAL 168 Ca 0.02 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1ia3 n VAL 168 Cb 0.10 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1ia3 n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ia3 n GLY 169 N 1.32 2.57 0.00 7.63 0.00 -0.60 -3.05 105.19 113.06 1ia3 n GLY 169 Ca 0.13 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1ia3 n GLY 169 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ia3 n ASP 170 N 7.98 0.00 -4.73 1.61 3.85 -1.26 -4.78 116.55 119.22 1ia3 n ASP 170 Ca 0.00 -0.18 -0.42 0.00 -0.71 0.00 0.00 54.79 53.48 1ia3 n ASP 170 Cb 0.00 -0.26 -0.02 0.00 -1.35 0.00 0.00 41.12 39.49 1ia3 n ASP 170 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 1ia3 n THR 171 N -1.26 0.90 -2.75 2.12 -1.04 -1.17 -4.93 114.28 106.15 1ia3 n THR 171 Ca 0.14 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.05 61.51 1ia3 n THR 171 Cb 0.21 -1.86 -0.04 0.00 -1.82 0.00 0.00 70.33 66.81 1ia3 n THR 171 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ia3 s VAL 172 N 0.10 4.66 -0.36 12.58 1.01 -1.26 -5.02 120.40 132.11 1ia3 s VAL 172 Ca 0.66 2.02 0.02 0.00 0.00 0.00 0.00 61.98 64.69 1ia3 s VAL 172 Cb -0.53 -4.30 0.10 0.00 0.00 0.00 0.00 36.38 31.65 1ia3 s VAL 172 CO 0.47 0.27 0.09 -0.76 0.00 0.00 0.00 175.10 175.17 1ia3 s LEU 173 N 0.36 4.86 0.38 3.92 1.43 -1.26 -5.10 118.68 123.27 1ia3 s LEU 173 Ca 0.48 -2.17 -0.13 0.00 -1.03 0.00 0.00 54.13 51.28 1ia3 s LEU 173 Cb -0.22 -1.68 -0.08 0.00 0.03 0.00 0.00 46.19 44.25 1ia3 s LEU 173 CO 0.28 -0.41 0.77 -1.61 0.23 0.00 0.00 176.35 175.61 1ia3 s GLU 174 N 0.90 3.88 0.11 1.70 2.02 -1.26 -5.07 118.70 120.99 1ia3 s GLU 174 Ca 0.11 0.59 -0.02 0.00 0.02 0.00 0.00 54.97 55.66 1ia3 s GLU 174 Cb -0.20 -2.39 -0.05 0.00 0.10 0.00 0.00 34.13 31.59 1ia3 s GLU 174 CO -0.07 0.03 0.30 -0.51 0.02 0.00 0.00 175.26 175.03 1ia3 s ASP 175 N -2.78 6.41 -1.23 -0.19 1.01 -1.26 -4.57 116.67 114.07 1ia3 s ASP 175 Ca 0.53 0.40 -0.18 0.00 0.71 0.00 0.00 52.55 54.01 1ia3 s ASP 175 Cb -0.10 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.82 1ia3 s ASP 175 CO 0.25 0.09 0.66 0.47 0.21 0.00 0.00 175.17 176.86 1ia3 n ASP 176 N 0.06 -3.72 -4.74 0.27 10.43 -1.18 -4.88 116.55 112.79 1ia3 n ASP 176 Ca -0.04 -1.08 -0.41 0.00 2.57 0.00 0.00 54.79 55.82 1ia3 n ASP 176 Cb 0.52 -2.90 -0.03 0.00 1.84 0.00 0.00 41.12 40.55 1ia3 n ASP 176 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1ia3 s ILE 177 N -3.62 3.35 -0.14 0.53 1.01 0.22 -4.72 121.20 117.83 1ia3 s ILE 177 Ca 0.36 1.11 -0.04 0.00 0.00 0.00 0.00 60.65 62.07 1ia3 s ILE 177 Cb -0.15 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 1ia3 s ILE 177 CO 0.89 0.17 0.00 -0.54 0.00 0.00 0.00 174.94 175.46 1ia3 s LYS 178 N -0.10 3.53 -0.24 2.79 1.02 -1.26 -0.37 119.74 125.12 1ia3 s LYS 178 Ca 0.56 -0.43 -0.03 0.00 0.02 0.00 0.00 55.97 56.08 1ia3 s LYS 178 Cb -0.35 -2.96 0.10 0.00 -0.52 0.00 0.00 37.83 34.10 1ia3 s LYS 178 CO 0.37 0.40 0.18 -1.21 -0.92 0.00 0.00 175.35 174.18 1ia3 s GLU 179 N -0.05 0.19 7.30 1.68 2.02 -0.32 -5.02 118.70 124.49 1ia3 s GLU 179 Ca 0.03 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 54.90 1ia3 s GLU 179 Cb -0.13 -1.22 0.00 0.00 0.10 0.00 0.00 34.13 32.88 1ia3 s GLU 179 CO 0.02 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 174.88 1ia3 n GLY 180 N 5.29 2.52 0.17 -1.39 0.00 -1.26 -1.37 105.19 109.15 1ia3 n GLY 180 Ca -0.05 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.80 1ia3 n GLY 180 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ia3 n ASP 181 N 5.55 0.79 -4.85 1.61 10.43 -1.26 -4.90 116.55 123.92 1ia3 n ASP 181 Ca 0.00 -0.67 -0.33 0.00 2.57 0.00 0.00 54.79 56.35 1ia3 n ASP 181 Cb 0.00 0.09 -0.06 0.00 1.84 0.00 0.00 41.12 42.99 1ia3 n ASP 181 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1ia3 s PHE 182 N -2.59 3.47 -0.03 1.24 0.08 -0.47 -4.29 117.98 115.39 1ia3 s PHE 182 Ca 0.23 1.11 0.01 0.00 0.12 0.00 0.00 56.93 58.40 1ia3 s PHE 182 Cb 0.19 -2.43 0.01 0.00 -0.57 0.00 0.00 43.02 40.22 1ia3 s PHE 182 CO 0.54 0.24 -0.05 0.99 -0.10 0.00 0.00 175.22 176.85 1ia3 s THR 183 N -1.77 0.50 0.18 0.64 2.01 -0.57 -1.18 115.64 115.44 1ia3 s THR 183 Ca 0.47 -0.16 -0.07 0.00 0.31 0.00 0.00 61.69 62.25 1ia3 s THR 183 Cb -0.12 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 1ia3 s THR 183 CO 0.19 0.19 0.25 -0.72 -0.69 0.00 0.00 174.62 173.84 1ia3 s TYR 184 N 0.54 0.60 0.00 4.92 1.13 0.50 0.33 117.35 125.38 1ia3 s TYR 184 Ca -0.07 -0.94 -0.04 0.00 -1.41 0.00 0.00 57.07 54.61 1ia3 s TYR 184 Cb -0.10 -0.17 -0.01 0.00 -1.10 0.00 0.00 41.96 40.58 1ia3 s TYR 184 CO -0.00 -0.71 0.07 -0.80 -2.51 0.00 0.00 175.55 171.59 1ia3 s ASN 185 N -3.02 0.09 0.02 -0.18 -0.87 -0.95 -0.61 114.94 109.42 1ia3 s ASN 185 Ca 0.23 -0.26 -0.11 0.00 -1.57 0.00 0.00 52.86 51.15 1ia3 s ASN 185 Cb 0.04 0.16 -0.05 0.00 -0.02 0.00 0.00 41.25 41.38 1ia3 s ASN 185 CO 0.04 -0.29 0.35 -0.31 -2.57 0.00 0.00 177.10 174.31 1ia3 s TYR 186 N -1.21 3.63 0.05 2.20 2.02 -1.26 -1.49 117.35 121.29 1ia3 s TYR 186 Ca -0.13 0.79 0.00 0.00 -0.37 0.00 0.00 57.07 57.36 1ia3 s TYR 186 Cb -0.08 -2.15 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 1ia3 s TYR 186 CO 0.00 0.60 -0.04 0.95 -1.57 0.00 0.00 175.55 175.49 1ia3 s THR 187 N -1.23 0.32 -0.04 -0.71 -4.23 -0.67 -4.97 115.64 104.11 1ia3 s THR 187 Ca 0.27 -1.43 0.05 0.00 -1.18 0.00 0.00 61.69 59.39 1ia3 s THR 187 Cb -0.14 -1.01 -0.01 0.00 1.34 0.00 0.00 72.50 72.68 1ia3 s THR 187 CO 0.15 -0.72 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.09 1ia3 s LEU 188 N -2.27 1.97 0.07 4.79 2.96 -1.26 -1.81 118.68 123.13 1ia3 s LEU 188 Ca -0.02 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.59 1ia3 s LEU 188 Cb -0.01 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.63 1ia3 s LEU 188 CO -0.05 0.19 -0.19 0.26 -1.32 0.00 0.00 176.35 175.24 1ia3 s TRP 189 N -0.14 1.64 0.18 5.38 0.52 0.01 -0.21 118.94 126.32 1ia3 s TRP 189 Ca -0.00 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.76 1ia3 s TRP 189 Cb -0.10 -0.94 -0.05 0.00 -1.15 0.00 0.00 33.47 31.23 1ia3 s TRP 189 CO 0.01 0.13 -0.06 0.95 0.02 0.00 0.00 176.95 178.00 1ia3 s THR 190 N -1.01 1.11 0.36 2.01 -4.23 -0.38 -1.90 115.64 111.60 1ia3 s THR 190 Ca 0.05 -2.05 -0.27 0.00 -1.18 0.00 0.00 61.69 58.24 1ia3 s THR 190 Cb -0.09 -2.05 -0.09 0.00 1.34 0.00 0.00 72.50 71.61 1ia3 s THR 190 CO 0.03 -0.58 1.21 -0.13 -0.54 0.00 0.00 174.62 174.61 1ia3 s ARG 191 N -3.80 4.23 0.00 3.99 0.52 -1.26 -0.17 118.95 122.47 1ia3 s ARG 191 Ca 0.21 1.97 0.30 0.00 -0.52 0.00 0.00 55.73 57.69 1ia3 s ARG 191 Cb 0.04 -2.88 1.47 0.00 0.52 0.00 0.00 34.95 34.09 1ia3 s ARG 191 CO 0.04 -0.21 1.98 1.63 0.02 0.00 0.00 175.30 178.76