#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9v n ARG 2 N 0.00 0.09 0.07 0.03 1.74 -1.26 -1.99 116.66 115.34 3i9v n ARG 2 Ca 0.00 0.58 -0.17 0.00 -0.77 0.00 0.00 57.85 57.48 3i9v n ARG 2 Cb 0.00 -1.79 -0.14 0.00 -1.02 0.00 0.00 32.46 29.51 3i9v n ARG 2 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3i9v h LEU 3 N 0.00 0.42 -1.54 0.55 5.85 -1.96 -3.30 115.31 115.32 3i9v h LEU 3 Ca 0.00 -0.57 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 3i9v h LEU 3 Cb 0.02 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3i9v h LEU 3 CO 0.00 1.47 -0.03 -0.33 -0.34 0.00 0.00 178.44 179.21 3i9v h GLU 4 N 0.07 0.25 0.00 1.25 5.08 -1.83 -0.47 114.58 118.93 3i9v h GLU 4 Ca -0.24 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3i9v h GLU 4 Cb 2.02 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.23 3i9v h GLU 4 CO 0.17 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 178.48 3i9v h ARG 5 N 0.25 0.00 0.11 2.33 3.08 -1.64 0.41 114.38 118.92 3i9v h ARG 5 Ca 0.06 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.93 3i9v h ARG 5 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.29 3i9v h ARG 5 CO 0.01 0.00 -0.82 0.28 -1.07 0.00 0.00 179.97 178.37 3i9v h VAL 6 N 0.00 1.45 -0.12 2.04 2.07 -1.21 -3.29 116.25 117.18 3i9v h VAL 6 Ca 0.00 -2.47 -0.05 0.00 0.82 0.00 0.00 66.70 65.00 3i9v h VAL 6 Cb 0.54 3.11 -0.00 0.00 -1.52 0.00 0.00 31.29 33.41 3i9v h VAL 6 CO 0.00 0.68 -0.12 -0.07 0.02 0.00 0.00 177.57 178.08 3i9v h LEU 7 N -0.48 0.32 -2.36 2.57 3.38 -0.67 -0.59 115.31 117.48 3i9v h LEU 7 Ca -0.16 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.36 3i9v h LEU 7 Cb 1.56 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 3i9v h LEU 7 CO 0.10 0.74 0.19 -0.33 0.09 0.00 0.00 178.44 179.22 3i9v h GLU 8 N -0.09 0.00 0.10 1.13 5.08 -0.39 -1.84 114.58 118.56 3i9v h GLU 8 Ca 0.02 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.03 3i9v h GLU 8 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3i9v h GLU 8 CO 0.03 0.00 -1.94 -1.91 -1.00 0.00 0.00 179.01 174.19 3i9v n GLU 9 N -3.40 0.74 0.17 2.33 2.13 -0.91 -3.85 120.64 117.85 3i9v n GLU 9 Ca -0.00 0.27 0.04 0.00 0.66 0.00 0.00 57.16 58.12 3i9v n GLU 9 Cb 0.28 -1.73 0.26 0.00 0.27 0.00 0.00 31.44 30.52 3i9v n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i9v h ALA 10 N 0.26 0.93 -0.42 4.31 0.00 -0.76 -2.74 119.26 120.83 3i9v h ALA 10 Ca -0.40 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.07 3i9v h ALA 10 Cb 2.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 3i9v h ALA 10 CO 0.09 0.56 0.10 0.00 0.00 0.00 0.00 179.25 180.00 3i9v h ARG 11 N 0.00 0.67 0.00 0.00 3.08 -1.49 -1.03 114.38 115.60 3i9v h ARG 11 Ca -0.00 -0.16 -0.12 0.00 0.07 0.00 0.00 59.98 59.77 3i9v h ARG 11 Cb 1.02 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 3i9v h ARG 11 CO 0.06 0.68 -0.58 0.00 -1.07 0.00 0.00 179.97 179.06 3i9v h ALA 12 N 0.96 0.97 -0.79 0.04 0.00 -1.65 -3.29 119.26 115.50 3i9v h ALA 12 Ca 0.13 -0.53 -0.27 0.00 0.00 0.00 0.00 54.91 54.24 3i9v h ALA 12 Cb 0.31 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 17.85 3i9v h ALA 12 CO 0.00 0.72 0.34 1.17 0.00 0.00 0.00 179.25 181.49 3i9v n LYS 13 N -3.74 3.52 -2.29 0.00 4.81 -1.04 -4.93 118.16 114.48 3i9v n LYS 13 Ca -0.01 -3.09 -0.20 0.00 -0.87 0.00 0.00 58.31 54.14 3i9v n LYS 13 Cb 0.60 -2.22 -0.02 0.00 0.02 0.00 0.00 35.03 33.41 3i9v n LYS 13 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i9v n GLY 14 N -0.31 -0.17 3.71 3.14 0.00 -1.11 -4.99 105.19 105.46 3i9v n GLY 14 Ca 0.45 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.08 3i9v n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i9v s TYR 15 N -2.99 3.48 0.46 1.61 2.02 -0.41 -5.05 117.35 116.47 3i9v s TYR 15 Ca 0.00 0.88 -0.23 0.00 -0.37 0.00 0.00 57.07 57.34 3i9v s TYR 15 Cb 0.00 -2.59 -0.07 0.00 -0.40 0.00 0.00 41.96 38.89 3i9v s TYR 15 CO 0.00 0.10 1.23 -2.14 -1.57 0.00 0.00 175.55 173.17 3i9v s PRO 16 N 0.89 3.69 -0.23 -1.71 0.02 -1.26 -4.60 135.00 131.80 3i9v s PRO 16 Ca 0.26 1.95 0.02 0.00 0.02 0.00 0.00 61.00 63.25 3i9v s PRO 16 Cb -0.15 -2.46 0.04 0.00 0.02 0.00 0.00 34.50 31.95 3i9v s PRO 16 CO 0.10 -0.66 -0.13 0.42 -0.33 0.00 0.00 177.00 176.40 3i9v s ILE 17 N -1.43 2.22 -0.06 2.83 -1.09 -1.26 -2.38 121.20 120.02 3i9v s ILE 17 Ca 0.63 -1.33 -0.15 0.00 -2.23 0.00 0.00 60.65 57.57 3i9v s ILE 17 Cb -0.33 -2.16 -0.05 0.00 -1.58 0.00 0.00 42.46 38.34 3i9v s ILE 17 CO 0.41 0.19 0.38 -1.61 -1.23 0.00 0.00 174.94 173.08 3i9v s GLU 18 N 1.19 4.04 -0.11 2.79 2.02 -1.11 -4.94 118.70 122.58 3i9v s GLU 18 Ca -0.03 0.32 -0.04 0.00 0.02 0.00 0.00 54.97 55.24 3i9v s GLU 18 Cb -0.17 -3.30 0.06 0.00 0.10 0.00 0.00 34.13 30.81 3i9v s GLU 18 CO -0.08 0.50 0.23 0.34 0.02 0.00 0.00 175.26 176.28 3i9v s ASP 19 N -0.43 0.31 0.03 -0.19 2.15 -1.26 -0.24 116.67 117.04 3i9v s ASP 19 Ca 0.22 0.51 -0.00 0.00 0.43 0.00 0.00 52.55 53.71 3i9v s ASP 19 Cb -0.15 0.53 -0.04 0.00 -0.30 0.00 0.00 42.92 42.96 3i9v s ASP 19 CO 0.10 -0.22 0.16 0.54 -0.17 0.00 0.00 175.17 175.58 3i9v s ASN 20 N 2.13 6.10 0.00 -0.34 2.20 -1.18 -5.00 114.94 118.85 3i9v s ASN 20 Ca -0.01 0.22 0.00 0.00 -0.94 0.00 0.00 52.86 52.14 3i9v s ASN 20 Cb -0.12 -1.83 0.00 0.00 -2.00 0.00 0.00 41.25 37.30 3i9v s ASN 20 CO -0.08 0.22 0.35 0.61 -2.94 0.00 0.00 177.10 175.26 3i9v n GLY 21 N 0.67 -0.27 0.01 0.45 0.00 -1.26 -3.47 105.19 101.32 3i9v n GLY 21 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.01 3i9v n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i9v n LEU 22 N -0.41 0.04 0.00 0.99 4.77 -1.26 -4.98 117.00 116.14 3i9v n LEU 22 Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3i9v n LEU 22 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3i9v n LEU 22 CO 0.00 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 3i9v n GLY 23 N 1.56 -0.15 3.28 -0.72 0.00 -1.23 -5.14 105.19 102.78 3i9v n GLY 23 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 3i9v n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i9v s ASN 24 N -0.62 2.62 0.00 1.61 0.02 -1.26 -5.10 114.94 112.22 3i9v s ASN 24 Ca 0.00 -0.57 -0.04 0.00 -1.02 0.00 0.00 52.86 51.23 3i9v s ASN 24 Cb 0.00 -0.21 -0.00 0.00 0.02 0.00 0.00 41.25 41.06 3i9v s ASN 24 CO 0.00 0.16 0.08 -1.48 0.02 0.00 0.00 177.10 175.87 3i9v s LEU 25 N -1.35 1.79 0.50 0.60 2.34 -1.26 -3.13 118.68 118.17 3i9v s LEU 25 Ca 0.08 -0.22 0.04 0.00 0.06 0.00 0.00 54.13 54.09 3i9v s LEU 25 Cb -0.09 0.43 -0.00 0.00 -0.56 0.00 0.00 46.19 45.96 3i9v s LEU 25 CO 0.02 -0.28 0.17 0.26 -1.06 0.00 0.00 176.35 175.46 3i9v s TRP 26 N -1.13 1.91 -0.29 3.48 0.51 0.66 -2.04 118.94 122.05 3i9v s TRP 26 Ca -0.12 -0.85 -0.02 0.00 -2.12 0.00 0.00 56.10 52.98 3i9v s TRP 26 Cb -0.07 -1.77 0.18 0.00 -0.81 0.00 0.00 33.47 30.99 3i9v s TRP 26 CO 0.00 -0.01 0.58 0.54 -0.51 0.00 0.00 176.95 177.55 3i9v s VAL 27 N -2.80 -0.95 -0.39 4.03 0.11 -0.89 -2.74 120.40 116.77 3i9v s VAL 27 Ca 0.22 -0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.07 3i9v s VAL 27 Cb 0.01 -0.97 0.01 0.00 -1.53 0.00 0.00 36.38 33.89 3i9v s VAL 27 CO 0.13 -0.01 0.57 0.54 -3.33 0.00 0.00 175.10 172.99 3i9v s VAL 28 N 2.83 4.94 0.10 2.04 0.11 -1.00 -2.33 120.40 127.09 3i9v s VAL 28 Ca 0.17 0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 59.29 3i9v s VAL 28 Cb -0.15 -4.07 -0.06 0.00 -1.53 0.00 0.00 36.38 30.57 3i9v s VAL 28 CO -0.20 -0.38 0.51 -0.76 -3.33 0.00 0.00 175.10 170.93 3i9v s LEU 29 N 2.55 4.40 1.32 2.54 1.43 -0.59 -4.00 118.68 126.34 3i9v s LEU 29 Ca 0.20 1.05 -0.20 0.00 -1.03 0.00 0.00 54.13 54.16 3i9v s LEU 29 Cb -0.15 -3.03 0.33 0.00 0.03 0.00 0.00 46.19 43.37 3i9v s LEU 29 CO 0.15 0.19 0.98 -2.16 0.23 0.00 0.00 176.35 175.74 3i9v s PRO 30 N -1.62 -2.15 0.01 1.29 0.04 -1.26 -4.55 135.00 126.76 3i9v s PRO 30 Ca 0.33 0.27 -0.25 0.00 0.04 0.00 0.00 61.00 61.39 3i9v s PRO 30 Cb -0.16 -1.46 -0.18 0.00 0.04 0.00 0.00 34.50 32.75 3i9v s PRO 30 CO 0.18 -4.39 1.31 -0.09 0.04 0.00 0.00 177.00 174.05 3i9v h ARG 31 N -3.08 -0.21 0.65 4.56 9.65 -1.98 -3.14 114.38 120.83 3i9v h ARG 31 Ca -0.48 0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.38 3i9v h ARG 31 Cb 1.33 0.05 0.01 0.00 -1.39 0.00 0.00 29.97 29.97 3i9v h ARG 31 CO 0.35 0.12 -0.31 0.93 2.80 0.00 0.00 179.97 183.86 3i9v h GLU 32 N -0.57 -0.85 0.00 0.20 4.39 -2.00 -3.14 114.58 112.62 3i9v h GLU 32 Ca -0.02 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3i9v h GLU 32 Cb 0.43 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3i9v h GLU 32 CO 0.04 -0.56 0.06 0.00 -1.16 0.00 0.00 179.01 177.38 3i9v h ARG 33 N -1.04 0.00 0.24 2.33 2.47 -1.97 -3.16 114.38 113.26 3i9v h ARG 33 Ca -0.09 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 3i9v h ARG 33 Cb 0.67 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.99 3i9v h ARG 33 CO 0.15 0.00 -0.14 0.35 0.56 0.00 0.00 179.97 180.88 3i9v h PHE 34 N 0.00 -0.37 0.00 3.04 3.57 -1.49 -1.09 116.94 120.60 3i9v h PHE 34 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3i9v h PHE 34 Cb 0.12 0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3i9v h PHE 34 CO 0.00 -0.23 0.00 1.17 -2.23 0.00 0.00 178.31 177.02 3i9v n LYS 35 N -5.26 0.00 -0.04 1.11 3.00 -1.19 -1.56 118.16 114.21 3i9v n LYS 35 Ca -0.09 0.68 -0.11 0.00 -0.00 0.00 0.00 58.31 58.78 3i9v n LYS 35 Cb 0.18 -1.32 -0.05 0.00 0.00 0.00 0.00 35.03 33.84 3i9v n LYS 35 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 3i9v h GLU 36 N 0.00 0.25 -0.96 1.64 4.11 -1.80 -2.91 114.58 114.92 3i9v h GLU 36 Ca 0.00 -0.05 0.22 0.00 0.07 0.00 0.00 59.36 59.60 3i9v h GLU 36 Cb 0.00 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.13 3i9v h GLU 36 CO 0.00 0.35 0.62 0.93 0.07 0.00 0.00 179.01 180.98 3i9v h GLU 37 N 0.10 0.46 -0.15 1.06 4.39 -1.14 0.96 114.58 120.26 3i9v h GLU 37 Ca 0.05 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.56 3i9v h GLU 37 Cb 0.20 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3i9v h GLU 37 CO -0.00 0.31 -0.59 1.98 -1.16 0.00 0.00 179.01 179.55 3i9v h MET 38 N 0.48 0.49 -0.83 2.33 4.05 -1.08 -2.77 114.93 117.58 3i9v h MET 38 Ca 0.52 -0.32 0.01 0.00 -0.28 0.00 0.00 59.70 59.62 3i9v h MET 38 Cb 1.20 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 32.00 3i9v h MET 38 CO -0.24 0.93 0.54 0.00 0.23 0.00 0.00 176.91 178.37 3i9v h ALA 39 N 1.00 1.06 -0.37 0.39 0.00 -0.76 -0.44 119.26 120.13 3i9v h ALA 39 Ca -0.00 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.92 3i9v h ALA 39 Cb 1.13 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3i9v h ALA 39 CO 0.11 0.48 0.25 1.25 0.00 0.00 0.00 179.25 181.34 3i9v h HIS 40 N 1.13 0.14 -0.33 0.00 6.17 -1.18 -2.69 115.15 118.40 3i9v h HIS 40 Ca 0.30 0.00 -0.06 0.00 0.71 0.00 0.00 60.37 61.33 3i9v h HIS 40 Cb -0.11 -0.05 -0.01 0.00 2.52 0.00 0.00 27.41 29.76 3i9v h HIS 40 CO -0.01 0.07 -0.04 1.88 0.71 0.00 0.00 177.93 180.55 3i9v h TYR 41 N 0.14 0.67 -0.32 5.26 -1.99 -0.80 -2.32 116.97 117.61 3i9v h TYR 41 Ca 0.17 -0.13 -0.03 0.00 2.00 0.00 0.00 58.73 60.74 3i9v h TYR 41 Cb 0.49 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.04 3i9v h TYR 41 CO -0.00 0.75 0.09 -0.22 -0.00 0.00 0.00 178.16 178.78 3i9v h LYS 42 N 0.40 0.51 -0.30 4.88 3.64 -1.33 -2.14 116.57 122.22 3i9v h LYS 42 Ca 0.09 -0.12 0.09 0.00 -1.27 0.00 0.00 60.65 59.44 3i9v h LYS 42 Cb 0.51 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3i9v h LYS 42 CO 0.02 0.56 0.28 0.00 -2.27 0.00 0.00 179.45 178.05 3i9v h ALA 43 N 0.92 2.04 0.00 5.00 0.00 -1.43 -0.25 119.26 125.54 3i9v h ALA 43 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i9v h ALA 43 Cb 0.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3i9v h ALA 43 CO -0.00 -0.44 0.00 -0.12 0.00 0.00 0.00 179.25 178.69 3i9v n MET 44 N -3.96 0.20 0.00 0.00 0.00 -0.81 -4.82 117.12 107.73 3i9v n MET 44 Ca 0.04 0.07 0.00 0.00 -0.00 0.00 0.00 57.70 57.82 3i9v n MET 44 Cb 0.44 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.16 3i9v n MET 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i9v n GLY 45 N 0.83 0.81 3.57 -5.12 0.00 -0.14 -5.04 105.19 100.11 3i9v n GLY 45 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3i9v n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i9v s PHE 46 N -1.73 2.56 0.00 1.61 2.99 -1.00 -4.67 117.98 117.74 3i9v s PHE 46 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 56.93 55.91 3i9v s PHE 46 Cb 0.00 -4.64 0.00 0.00 0.00 0.00 0.00 43.02 38.38 3i9v s PHE 46 CO 0.00 -1.82 0.63 0.09 -0.00 0.00 0.00 175.22 174.12 3i9v n ASN 47 N 9.37 0.00 -4.83 1.36 3.02 -0.63 -4.56 115.26 118.99 3i9v n ASN 47 Ca 0.42 0.63 -0.37 0.00 -0.03 0.00 0.00 54.58 55.23 3i9v n ASN 47 Cb 0.48 -0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.46 3i9v n ASN 47 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3i9v s PHE 48 N -1.52 3.59 -0.45 3.10 5.36 -1.13 -4.95 117.98 121.98 3i9v s PHE 48 Ca 0.00 0.64 -0.08 0.00 -0.96 0.00 0.00 56.93 56.53 3i9v s PHE 48 Cb 0.00 -2.11 0.12 0.00 -0.34 0.00 0.00 43.02 40.69 3i9v s PHE 48 CO 0.00 0.60 0.31 -1.17 -1.46 0.00 0.00 175.22 173.49 3i9v s LEU 49 N -0.68 5.57 0.00 6.12 2.96 -1.26 -1.03 118.68 130.36 3i9v s LEU 49 Ca 0.17 -1.93 0.00 0.00 -0.22 0.00 0.00 54.13 52.14 3i9v s LEU 49 Cb -0.13 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.59 3i9v s LEU 49 CO 0.06 -0.65 0.76 0.00 -1.32 0.00 0.00 176.35 175.20 3i9v n ALA 50 N 4.83 -0.24 -2.46 5.97 0.00 0.66 -4.86 120.51 124.41 3i9v n ALA 50 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 3i9v n ALA 50 Cb 0.41 0.03 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 3i9v n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i9v s ASP 51 N -2.09 2.39 -0.07 0.00 1.11 -1.26 -5.00 116.67 111.76 3i9v s ASP 51 Ca 0.00 -1.49 -0.03 0.00 0.18 0.00 0.00 52.55 51.21 3i9v s ASP 51 Cb 0.00 0.17 0.04 0.00 1.07 0.00 0.00 42.92 44.20 3i9v s ASP 51 CO 0.00 -0.75 0.06 -0.51 1.18 0.00 0.00 175.17 175.16 3i9v s ILE 52 N -3.32 -0.07 -0.19 0.77 2.07 -1.26 -2.43 121.20 116.77 3i9v s ILE 52 Ca 0.32 0.26 -0.04 0.00 -1.41 0.00 0.00 60.65 59.78 3i9v s ILE 52 Cb 0.06 -0.28 -0.02 0.00 0.13 0.00 0.00 42.46 42.36 3i9v s ILE 52 CO 0.15 0.07 -0.04 0.54 -1.91 0.00 0.00 174.94 173.74 3i9v s VAL 53 N 2.15 3.60 0.18 4.00 0.11 0.03 -4.87 120.40 125.60 3i9v s VAL 53 Ca 0.04 -0.44 -0.20 0.00 -2.93 0.00 0.00 61.98 58.46 3i9v s VAL 53 Cb -0.13 -2.61 -0.08 0.00 -1.53 0.00 0.00 36.38 32.04 3i9v s VAL 53 CO -0.05 0.45 0.69 -0.83 -3.33 0.00 0.00 175.10 172.04 3i9v s GLY 54 N 0.94 2.66 -0.09 6.54 0.00 -1.26 -0.95 107.32 115.17 3i9v s GLY 54 Ca -0.00 0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.87 3i9v s GLY 54 CO 0.01 0.53 -0.09 1.08 0.00 0.00 0.00 173.10 174.63 3i9v s LEU 55 N -1.69 1.37 -0.23 0.66 1.02 0.73 -4.98 118.68 115.55 3i9v s LEU 55 Ca 0.39 -0.29 -0.09 0.00 0.02 0.00 0.00 54.13 54.16 3i9v s LEU 55 Cb -0.18 -0.81 -0.04 0.00 0.02 0.00 0.00 46.19 45.18 3i9v s LEU 55 CO 0.21 -0.06 0.10 -0.62 0.02 0.00 0.00 176.35 176.01 3i9v s ASP 56 N 1.26 5.61 -0.11 2.29 2.15 -1.26 -1.75 116.67 124.85 3i9v s ASP 56 Ca -0.03 -0.03 0.15 0.00 0.43 0.00 0.00 52.55 53.06 3i9v s ASP 56 Cb -0.14 -2.00 0.48 0.00 -0.30 0.00 0.00 42.92 40.96 3i9v s ASP 56 CO -0.03 0.04 1.39 -1.22 -0.17 0.00 0.00 175.17 175.19 3i9v n TYR 57 N 4.42 0.87 -0.12 -5.34 4.01 -0.50 -4.73 117.16 115.77 3i9v n TYR 57 Ca -0.16 -0.72 -0.06 0.00 -0.16 0.00 0.00 57.90 56.80 3i9v n TYR 57 Cb 0.52 -0.22 0.02 0.00 -0.31 0.00 0.00 39.34 39.35 3i9v n TYR 57 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3i9v h LEU 58 N 2.14 0.28 -3.93 7.72 5.85 -1.95 -2.63 115.31 122.79 3i9v h LEU 58 Ca 0.00 0.02 -0.52 0.00 0.84 0.00 0.00 57.88 58.22 3i9v h LEU 58 Cb 1.22 -0.03 -0.29 0.00 0.37 0.00 0.00 40.66 41.93 3i9v h LEU 58 CO 0.16 0.21 0.60 0.41 -0.34 0.00 0.00 178.44 179.48 3i9v n THR 59 N -4.93 3.22 -3.32 1.05 -1.04 -1.26 -4.94 114.28 103.07 3i9v n THR 59 Ca 0.02 -2.25 -0.38 0.00 -2.04 0.00 0.00 64.05 59.40 3i9v n THR 59 Cb 0.10 -0.60 -0.06 0.00 -1.82 0.00 0.00 70.33 67.94 3i9v n THR 59 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3i9v s TYR 60 N -3.41 3.45 0.21 -1.42 5.04 -1.00 -4.68 117.35 115.55 3i9v s TYR 60 Ca 0.57 0.81 -0.09 0.00 -2.44 0.00 0.00 57.07 55.92 3i9v s TYR 60 Cb 0.48 -2.57 0.29 0.00 0.35 0.00 0.00 41.96 40.50 3i9v s TYR 60 CO 0.07 0.08 1.73 -1.00 -1.34 0.00 0.00 175.55 175.09 3i9v h PRO 61 N 7.00 0.36 -6.38 4.97 0.13 -1.90 -3.39 132.00 132.78 3i9v h PRO 61 Ca -0.38 -0.02 -0.55 0.00 -0.87 0.00 0.00 66.00 64.18 3i9v h PRO 61 Cb 1.17 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 3i9v h PRO 61 CO 0.75 0.24 -0.03 -0.51 -0.23 0.00 0.00 178.00 178.21 3i9v s ASP 62 N -5.36 6.89 0.35 1.44 1.01 -1.26 -5.07 116.67 114.67 3i9v s ASP 62 Ca -0.13 1.17 -0.27 0.00 0.71 0.00 0.00 52.55 54.03 3i9v s ASP 62 Cb 0.17 -2.32 -0.09 0.00 1.01 0.00 0.00 42.92 41.69 3i9v s ASP 62 CO 0.74 0.09 1.13 -2.16 0.21 0.00 0.00 175.17 175.18 3i9v s PRO 63 N -1.95 4.29 0.20 8.23 0.04 -1.26 -5.08 135.00 139.47 3i9v s PRO 63 Ca 0.39 1.79 0.08 0.00 0.04 0.00 0.00 61.00 63.30 3i9v s PRO 63 Cb -0.15 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.49 3i9v s PRO 63 CO 0.20 -0.10 -0.15 1.03 0.04 0.00 0.00 177.00 178.02 3i9v s ARG 64 N -2.01 1.33 0.19 4.56 1.81 -1.26 -5.09 118.95 118.47 3i9v s ARG 64 Ca 0.52 -1.57 -0.24 0.00 -1.72 0.00 0.00 55.73 52.72 3i9v s ARG 64 Cb -0.30 -1.15 0.08 0.00 -0.45 0.00 0.00 34.95 33.12 3i9v s ARG 64 CO 0.38 0.20 1.55 -1.35 -0.68 0.00 0.00 175.30 175.40 3i9v h PRO 65 N 2.64 -0.08 -4.69 3.54 0.11 -1.99 -3.43 132.00 128.10 3i9v h PRO 65 Ca -0.39 0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.44 3i9v h PRO 65 Cb 1.22 0.02 -0.15 0.00 0.11 0.00 0.00 31.00 32.20 3i9v h PRO 65 CO 0.61 -0.05 -0.60 -2.00 -0.21 0.00 0.00 178.00 175.74 3i9v s GLU 66 N -5.77 1.32 0.05 1.05 2.56 -1.26 -5.08 118.70 111.57 3i9v s GLU 66 Ca -0.13 -1.71 -0.27 0.00 0.00 0.00 0.00 54.97 52.85 3i9v s GLU 66 Cb 0.15 0.17 -0.17 0.00 2.00 0.00 0.00 34.13 36.28 3i9v s GLU 66 CO 0.67 -0.41 1.53 -0.09 -0.56 0.00 0.00 175.26 176.40 3i9v h ARG 67 N 2.51 -0.42 -6.20 4.30 2.43 -1.84 -3.45 114.38 111.70 3i9v h ARG 67 Ca -0.35 0.03 -0.56 0.00 -0.81 0.00 0.00 59.98 58.29 3i9v h ARG 67 Cb 1.25 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 3i9v h ARG 67 CO 0.52 -0.20 -0.32 -0.06 -1.51 0.00 0.00 179.97 178.40 3i9v s PHE 68 N -5.61 3.48 -0.07 2.20 0.40 -1.14 -1.40 117.98 115.84 3i9v s PHE 68 Ca -0.15 0.44 -0.27 0.00 -0.60 0.00 0.00 56.93 56.35 3i9v s PHE 68 Cb 0.04 -1.92 0.06 0.00 0.51 0.00 0.00 43.02 41.71 3i9v s PHE 68 CO 0.61 0.39 0.61 0.00 0.70 0.00 0.00 175.22 177.54 3i9v s ALA 69 N -1.79 -1.56 -0.04 5.36 0.00 -0.72 0.68 121.76 123.70 3i9v s ALA 69 Ca 0.40 1.20 0.06 0.00 0.00 0.00 0.00 51.96 53.62 3i9v s ALA 69 Cb -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3i9v s ALA 69 CO 0.27 -0.34 -0.21 0.08 0.00 0.00 0.00 175.76 175.56 3i9v s VAL 70 N -1.01 2.48 -0.05 0.00 1.01 -0.56 -0.19 120.40 122.08 3i9v s VAL 70 Ca -0.10 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 60.99 3i9v s VAL 70 Cb -0.02 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 3i9v s VAL 70 CO 0.08 0.58 -0.21 -0.69 0.00 0.00 0.00 175.10 174.87 3i9v s VAL 71 N -0.63 2.49 0.16 2.92 1.01 -0.12 -0.87 120.40 125.36 3i9v s VAL 71 Ca 0.10 -0.92 0.10 0.00 0.00 0.00 0.00 61.98 61.26 3i9v s VAL 71 Cb -0.10 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3i9v s VAL 71 CO -0.00 0.58 -0.21 -0.31 0.00 0.00 0.00 175.10 175.16 3i9v s TYR 72 N -0.42 2.42 -0.35 5.22 1.51 -0.11 -0.79 117.35 124.84 3i9v s TYR 72 Ca 0.04 -0.31 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 3i9v s TYR 72 Cb -0.12 -1.25 0.10 0.00 -0.11 0.00 0.00 41.96 40.59 3i9v s TYR 72 CO 0.02 0.43 0.06 -2.00 -1.11 0.00 0.00 175.55 172.95 3i9v s GLU 73 N -2.41 1.44 -0.10 -0.62 2.12 -1.02 -1.45 118.70 116.66 3i9v s GLU 73 Ca 0.19 -1.85 -0.10 0.00 0.36 0.00 0.00 54.97 53.57 3i9v s GLU 73 Cb -0.09 -3.12 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 3i9v s GLU 73 CO 0.10 -0.95 0.23 -0.51 -0.54 0.00 0.00 175.26 173.59 3i9v s LEU 74 N 0.90 4.38 0.23 2.70 1.43 -0.72 -0.24 118.68 127.36 3i9v s LEU 74 Ca 0.11 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 3i9v s LEU 74 Cb -0.19 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 3i9v s LEU 74 CO -0.09 0.32 0.13 -0.69 0.23 0.00 0.00 176.35 176.25 3i9v s VAL 75 N -0.71 0.21 -0.34 -1.59 1.01 -0.20 -1.42 120.40 117.35 3i9v s VAL 75 Ca 0.17 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.15 3i9v s VAL 75 Cb -0.13 -2.55 0.11 0.00 0.00 0.00 0.00 36.38 33.81 3i9v s VAL 75 CO 0.06 0.00 0.14 -0.44 0.00 0.00 0.00 175.10 174.86 3i9v s SER 76 N -3.23 3.90 -0.09 3.32 0.01 -0.96 -1.60 113.70 115.04 3i9v s SER 76 Ca 0.38 -1.91 -0.39 0.00 1.31 0.00 0.00 55.95 55.34 3i9v s SER 76 Cb 0.07 -0.89 -0.17 0.00 0.21 0.00 0.00 66.02 65.24 3i9v s SER 76 CO 0.13 -0.37 1.46 0.18 0.41 0.00 0.00 173.24 175.05 3i9v n LEU 77 N 4.49 1.62 0.00 2.44 4.77 -1.26 -2.26 117.00 126.80 3i9v n LEU 77 Ca 0.01 1.12 0.07 0.00 -0.03 0.00 0.00 56.01 57.18 3i9v n LEU 77 Cb 0.40 -1.11 0.29 0.00 -2.33 0.00 0.00 43.42 40.67 3i9v n LEU 77 CO 0.15 -0.95 0.71 -2.65 -1.33 0.00 0.00 177.39 173.32 3i9v n PRO 78 N 3.44 0.02 -0.50 3.23 -0.02 -1.26 -3.16 135.00 136.74 3i9v n PRO 78 Ca 0.22 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 62.05 3i9v n PRO 78 Cb 0.13 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.43 3i9v n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9v n GLY 79 N -0.11 2.37 0.00 -1.23 0.00 -1.26 -4.82 105.19 100.14 3i9v n GLY 79 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3i9v n GLY 79 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3i9v n TRP 80 N 1.14 0.00 0.00 1.61 -0.00 -1.19 -5.09 117.44 113.91 3i9v n TRP 80 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.73 3i9v n TRP 80 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.06 3i9v n TRP 80 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 3i9v n LYS 81 N 0.00 0.00 -2.62 5.87 5.02 -1.26 -4.58 118.16 120.60 3i9v n LYS 81 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 3i9v n LYS 81 Cb 0.00 -0.35 -0.01 0.00 -0.02 0.00 0.00 35.03 34.66 3i9v n LYS 81 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3i9v n ASP 82 N -0.20 5.61 -4.74 4.39 5.75 -1.26 -5.04 116.55 121.06 3i9v n ASP 82 Ca 0.00 -3.72 -0.40 0.00 -0.01 0.00 0.00 54.79 50.66 3i9v n ASP 82 Cb 0.00 -0.74 -0.05 0.00 -1.03 0.00 0.00 41.12 39.30 3i9v n ASP 82 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3i9v s GLY 83 N -2.69 2.87 -0.17 6.12 0.00 -1.25 -4.97 107.32 107.22 3i9v s GLY 83 Ca 0.47 0.39 -0.20 0.00 0.00 0.00 0.00 44.72 45.38 3i9v s GLY 83 CO -0.19 1.23 0.31 -0.55 0.00 0.00 0.00 173.10 173.90 3i9v h ASP 84 N 5.64 0.00 0.00 1.64 5.19 -1.79 -3.42 116.42 123.68 3i9v h ASP 84 Ca -0.43 -0.54 0.00 0.00 -0.62 0.00 0.00 57.03 55.44 3i9v h ASP 84 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 3i9v h ASP 84 CO 0.71 1.15 0.00 0.61 -3.12 0.00 0.00 179.24 178.59 3i9v n GLY 85 N 1.54 1.44 3.65 2.75 0.00 -0.96 -4.75 105.19 108.88 3i9v n GLY 85 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3i9v n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i9v s SER 86 N -2.00 7.01 0.20 1.61 1.04 -1.26 -4.84 113.70 115.46 3i9v s SER 86 Ca 0.00 1.33 0.08 0.00 0.48 0.00 0.00 55.95 57.84 3i9v s SER 86 Cb 0.00 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 3i9v s SER 86 CO 0.00 -0.76 -0.15 -0.60 0.98 0.00 0.00 173.24 172.71 3i9v s ARG 87 N 3.42 1.33 -0.13 4.02 3.52 -1.26 -2.26 118.95 127.59 3i9v s ARG 87 Ca 0.47 -1.58 -0.34 0.00 -0.13 0.00 0.00 55.73 54.15 3i9v s ARG 87 Cb -0.15 -1.15 0.14 0.00 -1.56 0.00 0.00 34.95 32.23 3i9v s ARG 87 CO 0.11 0.19 1.33 -0.59 -0.81 0.00 0.00 175.30 175.53 3i9v s PHE 88 N -2.90 -0.04 -0.08 5.12 -0.71 -0.51 -4.96 117.98 113.89 3i9v s PHE 88 Ca 0.22 -0.00 -0.01 0.00 -1.04 0.00 0.00 56.93 56.10 3i9v s PHE 88 Cb -0.01 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.28 3i9v s PHE 88 CO 0.07 -0.14 -0.02 -0.06 -1.34 0.00 0.00 175.22 173.73 3i9v s PHE 89 N -2.24 3.09 -0.09 3.49 0.40 -0.87 -1.75 117.98 120.02 3i9v s PHE 89 Ca 0.13 0.12 0.04 0.00 -0.60 0.00 0.00 56.93 56.62 3i9v s PHE 89 Cb 0.03 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.78 3i9v s PHE 89 CO -0.04 0.40 -0.22 0.54 0.70 0.00 0.00 175.22 176.60 3i9v s VAL 90 N -0.79 1.91 0.06 -0.44 0.11 -0.53 -2.09 120.40 118.63 3i9v s VAL 90 Ca 0.12 -0.94 0.06 0.00 -2.93 0.00 0.00 61.98 58.29 3i9v s VAL 90 Cb -0.11 -1.65 -0.04 0.00 -1.53 0.00 0.00 36.38 33.05 3i9v s VAL 90 CO 0.02 0.53 -0.12 -0.60 -3.33 0.00 0.00 175.10 171.59 3i9v s ARG 91 N 0.31 2.18 -0.17 1.54 3.52 -0.98 -0.93 118.95 124.42 3i9v s ARG 91 Ca -0.16 -0.95 -0.05 0.00 -0.13 0.00 0.00 55.73 54.44 3i9v s ARG 91 Cb -0.17 -2.30 0.06 0.00 -1.56 0.00 0.00 34.95 30.98 3i9v s ARG 91 CO 0.07 0.54 0.08 0.14 -0.81 0.00 0.00 175.30 175.32 3i9v s VAL 92 N -1.07 0.04 0.62 7.11 -7.23 -0.05 -1.54 120.40 118.29 3i9v s VAL 92 Ca 0.18 -0.24 -0.18 0.00 -1.81 0.00 0.00 61.98 59.94 3i9v s VAL 92 Cb -0.11 -0.66 -0.02 0.00 0.56 0.00 0.00 36.38 36.15 3i9v s VAL 92 CO 0.09 -0.26 1.19 -0.31 -0.31 0.00 0.00 175.10 175.50 3i9v s TYR 93 N 2.08 2.38 -0.08 2.82 1.51 -1.26 -1.49 117.35 123.31 3i9v s TYR 93 Ca 0.01 1.54 -0.03 0.00 -1.01 0.00 0.00 57.07 57.58 3i9v s TYR 93 Cb -0.16 -3.42 0.04 0.00 -0.11 0.00 0.00 41.96 38.31 3i9v s TYR 93 CO -0.09 -2.16 0.17 0.08 -1.11 0.00 0.00 175.55 172.44 3i9v s VAL 94 N -1.79 -0.15 0.64 0.71 1.01 0.22 -4.81 120.40 116.23 3i9v s VAL 94 Ca 0.75 0.25 -0.17 0.00 0.00 0.00 0.00 61.98 62.80 3i9v s VAL 94 Cb -0.28 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 3i9v s VAL 94 CO 0.36 0.10 0.77 -2.65 0.00 0.00 0.00 175.10 173.68 3i9v n PRO 95 N 4.68 0.60 -0.01 2.72 -0.02 -1.26 -2.88 135.00 138.84 3i9v n PRO 95 Ca -0.17 0.25 -0.07 0.00 -2.02 0.00 0.00 63.50 61.48 3i9v n PRO 95 Cb 0.51 -2.00 0.11 0.00 -0.02 0.00 0.00 33.50 32.10 3i9v n PRO 95 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3i9v h GLU 96 N 0.10 0.57 -0.00 -0.52 4.81 -1.94 -3.15 114.58 114.45 3i9v h GLU 96 Ca -0.47 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.48 3i9v h GLU 96 Cb 1.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.75 3i9v h GLU 96 CO 0.47 0.86 -0.11 -1.91 -0.73 0.00 0.00 179.01 177.59 3i9v n GLU 97 N -4.04 0.02 -3.48 1.92 2.13 -1.26 -4.44 120.64 111.49 3i9v n GLU 97 Ca -0.01 -0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.53 3i9v n GLU 97 Cb 0.50 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.61 3i9v n GLU 97 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3i9v s ASP 98 N -2.98 2.07 0.00 4.31 2.15 -1.19 -4.99 116.67 116.04 3i9v s ASP 98 Ca 0.14 -3.14 0.00 0.00 0.43 0.00 0.00 52.55 49.98 3i9v s ASP 98 Cb 0.19 -0.63 0.00 0.00 -0.30 0.00 0.00 42.92 42.17 3i9v s ASP 98 CO 0.57 -0.17 0.66 -0.81 -0.17 0.00 0.00 175.17 175.25 3i9v n PRO 99 N 2.78 0.47 -3.73 4.34 -0.04 -1.26 -4.09 135.00 133.47 3i9v n PRO 99 Ca 0.27 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.37 3i9v n PRO 99 Cb 0.45 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.58 3i9v n PRO 99 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3i9v s ARG 100 N 0.74 3.92 -0.30 0.54 0.52 -1.26 0.72 118.95 123.83 3i9v s ARG 100 Ca 0.00 -0.09 -0.11 0.00 -0.52 0.00 0.00 55.73 55.01 3i9v s ARG 100 Cb 0.00 -3.32 0.14 0.00 0.52 0.00 0.00 34.95 32.28 3i9v s ARG 100 CO 0.00 0.49 0.73 -1.17 0.02 0.00 0.00 175.30 175.37 3i9v s LEU 101 N -0.22 -1.01 0.83 2.53 2.96 -0.58 -4.95 118.68 118.23 3i9v s LEU 101 Ca 0.13 1.39 -0.15 0.00 -0.22 0.00 0.00 54.13 55.29 3i9v s LEU 101 Cb -0.12 2.15 -0.01 0.00 0.50 0.00 0.00 46.19 48.71 3i9v s LEU 101 CO 0.02 -0.19 0.45 -0.81 -1.32 0.00 0.00 176.35 174.50 3i9v n PRO 102 N 5.33 0.05 -2.68 0.98 -0.04 -1.26 -2.67 135.00 134.71 3i9v n PRO 102 Ca -0.11 0.06 -0.29 0.00 -0.04 0.00 0.00 63.50 63.11 3i9v n PRO 102 Cb 0.50 -1.83 -0.02 0.00 -0.04 0.00 0.00 33.50 32.11 3i9v n PRO 102 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3i9v s THR 103 N -2.12 4.81 -0.87 0.52 -4.23 -1.11 -4.67 115.64 107.98 3i9v s THR 103 Ca 0.61 0.53 0.15 0.00 -1.18 0.00 0.00 61.69 61.80 3i9v s THR 103 Cb -0.29 -3.79 0.50 0.00 1.34 0.00 0.00 72.50 70.27 3i9v s THR 103 CO 0.63 -0.69 1.42 0.52 -0.54 0.00 0.00 174.62 175.95 3i9v n VAL 104 N -1.76 1.56 -0.11 2.29 0.31 -1.26 -4.62 118.33 114.73 3i9v n VAL 104 Ca 0.02 -1.28 0.12 0.00 -0.01 0.00 0.00 64.34 63.20 3i9v n VAL 104 Cb 0.54 0.21 0.49 0.00 -0.91 0.00 0.00 33.84 34.17 3i9v n VAL 104 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3i9v h THR 105 N 2.71 0.88 -0.57 2.52 2.02 -1.89 -0.02 112.91 118.56 3i9v h THR 105 Ca 0.00 -0.15 0.07 0.00 0.77 0.00 0.00 66.41 67.09 3i9v h THR 105 Cb 1.13 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 3i9v h THR 105 CO 0.12 0.08 0.38 0.44 0.37 0.00 0.00 175.52 176.91 3i9v h ASP 106 N 0.44 0.45 0.00 4.18 3.32 -1.96 -3.35 116.42 119.50 3i9v h ASP 106 Ca 0.30 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.19 3i9v h ASP 106 Cb 0.59 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 3i9v h ASP 106 CO -0.09 0.29 -1.51 0.18 -1.72 0.00 0.00 179.24 176.39 3i9v n LEU 107 N -4.47 1.84 -4.42 1.55 4.32 -0.15 -4.98 117.00 110.68 3i9v n LEU 107 Ca 0.08 0.31 -0.32 0.00 -0.02 0.00 0.00 56.01 56.06 3i9v n LEU 107 Cb 0.26 -0.72 -0.14 0.00 -1.62 0.00 0.00 43.42 41.20 3i9v n LEU 107 CO 0.34 0.02 -0.49 0.26 -1.22 0.00 0.00 177.39 176.30 3i9v s TRP 108 N -2.69 2.59 -0.79 -1.77 0.51 -0.42 -5.02 118.94 111.36 3i9v s TRP 108 Ca -0.30 -0.27 0.25 0.00 -2.12 0.00 0.00 56.10 53.66 3i9v s TRP 108 Cb 0.08 -1.60 0.53 0.00 -0.81 0.00 0.00 33.47 31.67 3i9v s TRP 108 CO 0.42 0.10 1.46 0.41 -0.51 0.00 0.00 176.95 178.82 3i9v n GLY 109 N 2.41 -1.41 0.29 0.98 0.00 -1.26 -3.57 105.19 102.63 3i9v n GLY 109 Ca -0.17 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.55 3i9v n GLY 109 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i9v h SER 110 N 0.00 0.87 0.00 1.61 0.02 -1.95 -3.05 113.55 111.05 3i9v h SER 110 Ca 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3i9v h SER 110 Cb 0.65 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3i9v h SER 110 CO 0.00 0.93 0.02 0.00 -1.14 0.00 0.00 176.83 176.64 3i9v n ALA 111 N -2.48 1.14 -0.64 3.77 0.00 -1.23 -3.34 120.51 117.73 3i9v n ALA 111 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3i9v n ALA 111 Cb 0.32 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3i9v n ALA 111 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i9v n ASN 112 N -1.06 0.00 0.13 0.00 5.15 -1.15 -2.35 115.26 115.97 3i9v n ASN 112 Ca 0.00 0.51 0.03 0.00 -0.60 0.00 0.00 54.58 54.52 3i9v n ASN 112 Cb 0.02 -0.18 0.40 0.00 -0.53 0.00 0.00 39.78 39.49 3i9v n ASN 112 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 3i9v h PHE 113 N 0.00 0.23 -0.21 1.20 -1.00 -1.83 -3.11 116.94 112.22 3i9v h PHE 113 Ca 0.00 -0.02 -0.15 0.00 2.81 0.00 0.00 57.97 60.61 3i9v h PHE 113 Cb 0.00 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 3i9v h PHE 113 CO 0.06 0.35 -0.48 -0.07 -1.61 0.00 0.00 178.31 176.56 3i9v h LEU 114 N 0.21 0.60 -0.35 1.54 3.38 -1.68 -2.68 115.31 116.32 3i9v h LEU 114 Ca 0.04 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 3i9v h LEU 114 Cb 0.37 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3i9v h LEU 114 CO 0.02 0.98 -0.52 -0.33 0.09 0.00 0.00 178.44 178.68 3i9v h GLU 115 N 0.44 0.00 0.01 1.13 5.08 -1.40 -2.88 114.58 116.95 3i9v h GLU 115 Ca 0.02 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 3i9v h GLU 115 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 3i9v h GLU 115 CO 0.09 0.52 -0.90 0.00 -1.00 0.00 0.00 179.01 177.72 3i9v h ARG 116 N 0.00 0.16 -0.48 2.33 3.08 -1.47 -2.04 114.38 115.96 3i9v h ARG 116 Ca -0.01 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.76 3i9v h ARG 116 Cb 1.25 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 3i9v h ARG 116 CO 0.07 0.95 -0.09 1.49 -1.07 0.00 0.00 179.97 181.32 3i9v h GLU 117 N 0.09 0.90 0.00 0.04 4.81 -1.50 0.51 114.58 119.42 3i9v h GLU 117 Ca -0.04 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3i9v h GLU 117 Cb 1.54 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.87 3i9v h GLU 117 CO 0.13 0.98 0.00 0.28 -0.73 0.00 0.00 179.01 179.68 3i9v h VAL 118 N 0.75 0.00 0.10 0.32 2.07 -1.42 -1.41 116.25 116.66 3i9v h VAL 118 Ca 0.12 -0.35 -0.35 0.00 0.82 0.00 0.00 66.70 66.94 3i9v h VAL 118 Cb 0.63 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3i9v h VAL 118 CO 0.04 0.00 -1.94 0.00 0.02 0.00 0.00 177.57 175.69 3i9v n TYR 119 N -2.82 1.11 0.36 1.57 9.36 -0.78 -2.77 117.16 123.19 3i9v n TYR 119 Ca 0.00 0.27 -0.17 0.00 3.32 0.00 0.00 57.90 61.32 3i9v n TYR 119 Cb 0.24 -1.14 -0.09 0.00 -0.63 0.00 0.00 39.34 37.73 3i9v n TYR 119 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 3i9v h ASP 120 N -0.11 -0.75 0.17 2.98 1.82 0.19 -3.35 116.42 117.38 3i9v h ASP 120 Ca -0.43 0.01 -0.29 0.00 -0.39 0.00 0.00 57.03 55.93 3i9v h ASP 120 Cb 1.91 0.19 0.02 0.00 0.68 0.00 0.00 39.33 42.14 3i9v h ASP 120 CO 0.02 -0.50 -1.20 -0.07 -1.61 0.00 0.00 179.24 175.88 3i9v h LEU 121 N -0.93 0.82 -9.58 2.28 3.38 -1.47 -3.42 115.31 106.39 3i9v h LEU 121 Ca -0.09 -0.75 -0.62 0.00 0.09 0.00 0.00 57.88 56.51 3i9v h LEU 121 Cb 0.69 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.08 3i9v h LEU 121 CO 0.15 1.55 -0.63 -0.36 0.09 0.00 0.00 178.44 179.24 3i9v s PHE 122 N -3.02 3.03 -1.13 1.13 0.40 -1.12 -2.42 117.98 114.85 3i9v s PHE 122 Ca -0.09 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 3i9v s PHE 122 Cb 0.06 -1.51 0.00 0.00 0.51 0.00 0.00 43.02 42.08 3i9v s PHE 122 CO 0.92 0.50 0.43 0.41 0.70 0.00 0.00 175.22 178.18 3i9v n GLY 123 N 0.18 0.88 3.67 4.36 0.00 -1.26 -3.73 105.19 109.30 3i9v n GLY 123 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 3i9v n GLY 123 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i9v s ILE 124 N -1.13 4.70 -0.01 -0.61 1.01 -1.25 -4.88 121.20 119.03 3i9v s ILE 124 Ca 0.00 2.01 -0.16 0.00 0.00 0.00 0.00 60.65 62.50 3i9v s ILE 124 Cb 0.00 -4.29 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 3i9v s ILE 124 CO 0.00 -0.08 0.43 -0.69 0.00 0.00 0.00 174.94 174.60 3i9v s VAL 125 N 2.60 5.02 -0.27 2.92 1.01 0.22 -4.09 120.40 127.82 3i9v s VAL 125 Ca 0.47 0.89 -0.02 0.00 0.00 0.00 0.00 61.98 63.32 3i9v s VAL 125 Cb -0.17 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.50 3i9v s VAL 125 CO 0.13 0.54 -0.03 -0.36 0.00 0.00 0.00 175.10 175.38 3i9v s PHE 126 N -0.81 3.14 -0.32 5.22 0.40 -1.25 -1.53 117.98 122.82 3i9v s PHE 126 Ca 0.24 -1.62 -0.27 0.00 -0.60 0.00 0.00 56.93 54.68 3i9v s PHE 126 Cb -0.17 -2.09 -0.05 0.00 0.51 0.00 0.00 43.02 41.22 3i9v s PHE 126 CO 0.13 -0.74 2.22 -1.21 0.70 0.00 0.00 175.22 176.32 3i9v s GLU 127 N 1.31 2.82 0.00 0.44 0.41 -1.09 -2.98 118.70 119.62 3i9v s GLU 127 Ca -0.02 1.73 0.00 0.00 -0.41 0.00 0.00 54.97 56.27 3i9v s GLU 127 Cb -0.18 -4.42 0.00 0.00 -1.78 0.00 0.00 34.13 27.75 3i9v s GLU 127 CO -0.03 -2.45 0.00 0.41 -0.49 0.00 0.00 175.26 172.70 3i9v n GLY 128 N 5.80 0.90 3.74 -1.39 0.00 -1.26 -2.75 105.19 110.23 3i9v n GLY 128 Ca 0.31 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3i9v n GLY 128 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i9v s HIS 129 N -2.00 3.53 0.19 1.61 5.04 -1.16 -4.93 115.29 117.58 3i9v s HIS 129 Ca 0.00 1.53 -0.07 0.00 -1.54 0.00 0.00 55.06 54.98 3i9v s HIS 129 Cb 0.00 -3.33 0.30 0.00 0.04 0.00 0.00 32.58 29.59 3i9v s HIS 129 CO 0.00 -0.82 1.11 -2.30 -2.34 0.00 0.00 174.74 170.39 3i9v n PRO 130 N 2.56 -0.08 -3.15 2.88 -0.02 -1.26 -4.13 135.00 131.80 3i9v n PRO 130 Ca 0.04 1.11 0.04 0.00 -2.02 0.00 0.00 63.50 62.66 3i9v n PRO 130 Cb 0.46 -1.65 -0.01 0.00 -0.02 0.00 0.00 33.50 32.28 3i9v n PRO 130 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3i9v s ASP 131 N -5.20 -1.36 -1.10 2.55 -4.77 -1.26 -5.08 116.67 100.45 3i9v s ASP 131 Ca -0.11 0.64 -0.22 0.00 -3.30 0.00 0.00 52.55 49.57 3i9v s ASP 131 Cb 0.18 2.06 0.00 0.00 -1.09 0.00 0.00 42.92 44.08 3i9v s ASP 131 CO 0.55 -0.25 1.74 -0.76 0.70 0.00 0.00 175.17 177.14 3i9v s LEU 132 N 2.86 3.41 0.06 2.11 1.43 -1.26 -4.94 118.68 122.36 3i9v s LEU 132 Ca 0.17 -1.56 0.09 0.00 -1.03 0.00 0.00 54.13 51.80 3i9v s LEU 132 Cb -0.13 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 3i9v s LEU 132 CO -0.22 -2.05 -0.23 -0.13 0.23 0.00 0.00 176.35 173.96 3i9v s ARG 133 N 5.59 1.84 0.31 1.70 0.52 -1.26 -5.10 118.95 122.55 3i9v s ARG 133 Ca 0.58 -1.10 -0.25 0.00 -0.52 0.00 0.00 55.73 54.44 3i9v s ARG 133 Cb -0.01 -2.05 -0.15 0.00 0.52 0.00 0.00 34.95 33.26 3i9v s ARG 133 CO 0.01 0.51 0.59 1.17 0.02 0.00 0.00 175.30 177.61 3i9v n LYS 134 N 1.50 0.50 -0.04 3.54 4.81 -1.26 -4.87 118.16 122.35 3i9v n LYS 134 Ca -0.17 0.18 -0.06 0.00 -0.87 0.00 0.00 58.31 57.39 3i9v n LYS 134 Cb 0.52 -1.36 -0.02 0.00 0.02 0.00 0.00 35.03 34.19 3i9v n LYS 134 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3i9v n ILE 135 N -0.34 1.37 -0.09 3.15 5.41 -1.26 -4.94 119.36 122.66 3i9v n ILE 135 Ca 0.13 0.21 -0.11 0.00 1.00 0.00 0.00 62.75 63.99 3i9v n ILE 135 Cb 0.33 -2.04 -0.11 0.00 -0.71 0.00 0.00 39.64 37.11 3i9v n ILE 135 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3i9v n LEU 136 N -4.08 1.56 -4.71 1.39 4.77 -1.26 -4.95 117.00 109.72 3i9v n LEU 136 Ca -0.10 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.40 3i9v n LEU 136 Cb 0.35 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3i9v n LEU 136 CO 0.12 0.62 0.66 0.42 -1.33 0.00 0.00 177.39 177.88 3i9v s THR 137 N -2.38 4.88 0.48 -5.08 -4.23 -1.26 -4.99 115.64 103.05 3i9v s THR 137 Ca -0.17 2.02 -0.15 0.00 -1.18 0.00 0.00 61.69 62.21 3i9v s THR 137 Cb 0.06 -4.30 -0.12 0.00 1.34 0.00 0.00 72.50 69.48 3i9v s THR 137 CO 0.54 0.17 -0.19 -0.81 -0.54 0.00 0.00 174.62 173.78 3i9v n PRO 138 N 3.87 0.00 -0.13 3.99 -0.04 -1.26 -4.84 135.00 136.59 3i9v n PRO 138 Ca 0.05 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.45 3i9v n PRO 138 Cb 0.51 -0.81 0.02 0.00 -0.04 0.00 0.00 33.50 33.17 3i9v n PRO 138 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3i9v h GLU 139 N -0.14 0.44 -0.00 0.54 4.57 -1.99 -2.70 114.58 115.30 3i9v h GLU 139 Ca -0.34 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 3i9v h GLU 139 Cb 1.16 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 3i9v h GLU 139 CO 0.32 0.29 -0.03 -0.40 -1.18 0.00 0.00 179.01 178.00 3i9v n ASP 140 N -4.89 0.03 -4.67 1.04 5.75 -1.26 -4.88 116.55 107.68 3i9v n ASP 140 Ca 0.02 0.41 -0.46 0.00 -0.01 0.00 0.00 54.79 54.74 3i9v n ASP 140 Cb 0.08 -0.44 -0.04 0.00 -1.03 0.00 0.00 41.12 39.69 3i9v n ASP 140 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3i9v n LEU 141 N -1.48 3.17 -4.58 -2.12 7.94 -1.02 -4.95 117.00 113.95 3i9v n LEU 141 Ca 0.07 1.07 -0.34 0.00 -1.11 0.00 0.00 56.01 55.70 3i9v n LEU 141 Cb 0.33 -1.42 -0.11 0.00 0.53 0.00 0.00 43.42 42.75 3i9v n LEU 141 CO 0.27 -0.24 -0.29 -0.70 -1.11 0.00 0.00 177.39 175.32 3i9v s GLU 142 N 1.39 3.85 0.00 1.96 2.12 -1.26 -4.97 118.70 121.79 3i9v s GLU 142 Ca 0.81 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.73 3i9v s GLU 142 Cb -0.68 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 30.61 3i9v s GLU 142 CO 0.40 0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.77 3i9v n GLY 143 N 3.58 0.09 2.85 -1.50 0.00 -1.26 -4.95 105.19 104.00 3i9v n GLY 143 Ca -0.17 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 3i9v n GLY 143 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i9v s HIS 144 N 0.00 -0.81 0.14 1.61 3.76 -1.26 -4.95 115.29 113.79 3i9v s HIS 144 Ca 0.00 0.13 -0.20 0.00 -0.15 0.00 0.00 55.06 54.84 3i9v s HIS 144 Cb 0.00 -0.27 0.01 0.00 1.11 0.00 0.00 32.58 33.42 3i9v s HIS 144 CO 0.00 -0.96 1.69 -1.00 -0.85 0.00 0.00 174.74 173.61 3i9v h PRO 145 N 8.19 -0.05 0.00 8.40 0.13 -1.80 -3.06 132.00 143.81 3i9v h PRO 145 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3i9v h PRO 145 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3i9v h PRO 145 CO 0.29 -0.03 0.00 -0.11 -0.23 0.00 0.00 178.00 177.92 3i9v n LEU 146 N -5.25 0.00 -4.77 1.56 -0.00 -1.02 -4.58 117.00 102.94 3i9v n LEU 146 Ca -0.01 0.47 -0.39 0.00 -0.00 0.00 0.00 56.01 56.08 3i9v n LEU 146 Cb 0.17 -0.47 -0.06 0.00 -0.00 0.00 0.00 43.42 43.07 3i9v n LEU 146 CO 0.21 -0.32 0.34 0.00 -0.00 0.00 0.00 177.39 177.63 3i9v s ARG 147 N -2.94 4.35 0.17 1.96 1.70 -1.16 -4.84 118.95 118.20 3i9v s ARG 147 Ca 0.05 0.86 -0.10 0.00 -0.47 0.00 0.00 55.73 56.07 3i9v s ARG 147 Cb 0.06 -3.30 0.23 0.00 -0.57 0.00 0.00 34.95 31.36 3i9v s ARG 147 CO 0.17 0.46 1.08 1.63 -1.08 0.00 0.00 175.30 177.55 3i9v n LYS 148 N 2.29 -0.12 -0.06 3.89 4.76 -1.26 -1.75 118.16 125.90 3i9v n LYS 148 Ca -0.07 1.07 0.00 0.00 -2.87 0.00 0.00 58.31 56.45 3i9v n LYS 148 Cb 0.50 -1.59 0.03 0.00 -1.84 0.00 0.00 35.03 32.13 3i9v n LYS 148 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3i9v n ASP 149 N -5.06 1.34 -4.31 4.39 5.75 -1.26 -4.70 116.55 112.69 3i9v n ASP 149 Ca 0.09 -2.06 -0.34 0.00 -0.01 0.00 0.00 54.79 52.46 3i9v n ASP 149 Cb 0.30 -0.51 -0.14 0.00 -1.03 0.00 0.00 41.12 39.74 3i9v n ASP 149 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3i9v s TYR 150 N -1.11 2.90 0.30 2.11 5.04 -0.72 -5.08 117.35 120.79 3i9v s TYR 150 Ca 0.04 -0.91 -0.30 0.00 -2.44 0.00 0.00 57.07 53.46 3i9v s TYR 150 Cb 0.03 -2.01 -0.12 0.00 0.35 0.00 0.00 41.96 40.21 3i9v s TYR 150 CO 0.01 -0.46 1.48 -2.30 -1.34 0.00 0.00 175.55 172.94 3i9v n PRO 151 N 4.37 2.43 0.19 4.97 -0.02 -1.26 -4.86 135.00 140.82 3i9v n PRO 151 Ca -0.18 0.86 0.16 0.00 -2.02 0.00 0.00 63.50 62.31 3i9v n PRO 151 Cb 0.51 -2.57 0.78 0.00 -0.02 0.00 0.00 33.50 32.20 3i9v n PRO 151 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i9v h LEU 152 N 4.01 0.00 -2.50 2.45 5.85 -1.93 -3.46 115.31 119.73 3i9v h LEU 152 Ca -0.47 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.18 3i9v h LEU 152 Cb 1.25 0.00 0.05 0.00 0.37 0.00 0.00 40.66 42.33 3i9v h LEU 152 CO 0.73 0.00 -0.21 0.61 -0.34 0.00 0.00 178.44 179.23 3i9v n GLY 153 N -1.47 0.33 3.94 3.75 0.00 -1.26 -5.05 105.19 105.43 3i9v n GLY 153 Ca 0.02 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 3i9v n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9v s GLU 154 N -3.73 2.94 0.02 1.61 2.02 -1.26 -5.10 118.70 115.20 3i9v s GLU 154 Ca 0.07 -0.28 0.06 0.00 0.02 0.00 0.00 54.97 54.84 3i9v s GLU 154 Cb -0.01 -2.41 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 3i9v s GLU 154 CO 0.19 -0.52 -0.17 0.99 0.02 0.00 0.00 175.26 175.77 3i9v s THR 155 N -2.78 1.33 0.34 3.63 2.01 -1.26 -5.09 115.64 113.81 3i9v s THR 155 Ca 0.52 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 61.30 3i9v s THR 155 Cb -0.10 -1.15 -0.11 0.00 0.01 0.00 0.00 72.50 71.15 3i9v s THR 155 CO 0.41 0.20 1.48 -2.84 -0.69 0.00 0.00 174.62 173.18 3i9v s PRO 156 N -0.85 4.16 0.35 4.92 0.02 -1.26 -4.72 135.00 137.62 3i9v s PRO 156 Ca 0.05 2.49 -0.16 0.00 0.02 0.00 0.00 61.00 63.41 3i9v s PRO 156 Cb -0.07 -3.01 -0.09 0.00 0.02 0.00 0.00 34.50 31.34 3i9v s PRO 156 CO 0.01 -0.49 0.77 0.95 -0.33 0.00 0.00 177.00 177.91 3i9v s THR 157 N -0.75 4.64 0.06 0.99 -4.23 -0.89 -4.88 115.64 110.57 3i9v s THR 157 Ca 0.55 1.01 0.09 0.00 -1.18 0.00 0.00 61.69 62.16 3i9v s THR 157 Cb -0.45 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 69.74 3i9v s THR 157 CO 0.56 -0.24 -0.26 -0.76 -0.54 0.00 0.00 174.62 173.38 3i9v s LEU 158 N -3.10 2.23 0.00 4.79 1.43 -1.26 -1.60 118.68 121.17 3i9v s LEU 158 Ca 0.55 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3i9v s LEU 158 Cb -0.10 -1.30 -0.00 0.00 0.03 0.00 0.00 46.19 44.82 3i9v s LEU 158 CO 0.18 0.25 0.04 0.49 0.23 0.00 0.00 176.35 177.53 3i9v n PHE 159 N 1.61 -0.06 0.36 0.29 3.01 -0.48 -5.02 117.46 117.17 3i9v n PHE 159 Ca -0.17 -0.49 -0.18 0.00 1.01 0.00 0.00 57.45 57.63 3i9v n PHE 159 Cb 0.52 0.03 -0.09 0.00 -0.01 0.00 0.00 39.48 39.93 3i9v n PHE 159 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i9v h ARG 160 N 0.00 -0.89 -2.15 -1.08 3.08 -2.01 -3.37 114.38 107.96 3i9v h ARG 160 Ca -0.05 0.06 -0.59 0.00 0.07 0.00 0.00 59.98 59.47 3i9v h ARG 160 Cb 0.22 0.20 -0.41 0.00 0.08 0.00 0.00 29.97 30.06 3i9v h ARG 160 CO 0.08 -0.59 -0.72 0.39 -1.07 0.00 0.00 179.97 178.05 3i9v n GLU 161 N -5.50 2.18 -0.93 0.04 1.02 -1.26 -4.73 120.64 111.47 3i9v n GLU 161 Ca -0.13 -4.36 0.00 0.00 -0.02 0.00 0.00 57.16 52.65 3i9v n GLU 161 Cb 0.38 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 3i9v n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i9v n GLY 162 N 0.83 0.60 3.57 0.62 0.00 -1.26 -4.98 105.19 104.56 3i9v n GLY 162 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 3i9v n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i9v s ARG 163 N -0.35 3.41 0.45 1.61 0.52 -1.26 -5.00 118.95 118.32 3i9v s ARG 163 Ca 0.00 0.06 0.06 0.00 -0.52 0.00 0.00 55.73 55.33 3i9v s ARG 163 Cb 0.00 -4.06 -0.05 0.00 0.52 0.00 0.00 34.95 31.36 3i9v s ARG 163 CO 0.00 -1.79 0.09 1.52 0.02 0.00 0.00 175.30 175.14 3i9v s TYR 164 N 5.07 2.32 -0.04 -0.53 -0.85 -1.26 -1.38 117.35 120.67 3i9v s TYR 164 Ca 0.40 -0.73 0.01 0.00 -0.52 0.00 0.00 57.07 56.23 3i9v s TYR 164 Cb -0.08 -1.81 0.02 0.00 0.38 0.00 0.00 41.96 40.47 3i9v s TYR 164 CO 0.22 0.24 -0.05 0.42 -1.52 0.00 0.00 175.55 174.86 3i9v s ILE 165 N -2.72 0.57 -0.31 -3.49 1.01 -0.63 -4.98 121.20 110.66 3i9v s ILE 165 Ca 0.30 -0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.68 3i9v s ILE 165 Cb 0.05 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 3i9v s ILE 165 CO 0.16 0.23 0.18 -0.63 0.00 0.00 0.00 174.94 174.88 3i9v s ILE 166 N 0.80 4.96 0.17 2.92 1.01 -1.26 -2.10 121.20 127.70 3i9v s ILE 166 Ca -0.11 -0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.22 3i9v s ILE 166 Cb -0.14 -3.47 0.07 0.00 0.01 0.00 0.00 42.46 38.93 3i9v s ILE 166 CO 0.01 0.12 1.83 -0.65 0.00 0.00 0.00 174.94 176.24 3i9v h PRO 167 N 8.39 0.72 0.00 2.79 0.11 -1.99 -1.28 132.00 140.74 3i9v h PRO 167 Ca -0.33 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3i9v h PRO 167 Cb 1.16 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3i9v h PRO 167 CO 0.60 0.49 0.05 0.00 -0.21 0.00 0.00 178.00 178.93 3i9v n ALA 168 N -2.26 0.99 -0.12 -0.75 0.00 -1.26 -0.72 120.51 116.39 3i9v n ALA 168 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3i9v n ALA 168 Cb 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3i9v n ALA 168 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i9v n GLU 169 N -1.31 1.91 -0.02 0.00 -0.58 -0.52 -4.75 120.64 115.37 3i9v n GLU 169 Ca 0.00 -1.19 -0.03 0.00 -0.42 0.00 0.00 57.16 55.52 3i9v n GLU 169 Cb 0.05 -0.94 -0.03 0.00 -0.57 0.00 0.00 31.44 29.95 3i9v n GLU 169 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3i9v n PHE 170 N -0.35 0.00 -1.56 -0.32 7.35 0.10 -4.98 117.46 117.70 3i9v n PHE 170 Ca 0.00 0.00 -0.52 0.00 -0.76 0.00 0.00 57.45 56.17 3i9v n PHE 170 Cb 0.23 -0.19 -0.07 0.00 0.35 0.00 0.00 39.48 39.80 3i9v n PHE 170 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3i9v n ARG 171 N -2.51 1.33 0.17 -4.13 1.74 -0.84 -4.85 116.66 107.56 3i9v n ARG 171 Ca -0.08 0.43 0.03 0.00 -0.77 0.00 0.00 57.85 57.46 3i9v n ARG 171 Cb 0.60 -2.41 0.27 0.00 -1.02 0.00 0.00 32.46 29.90 3i9v n ARG 171 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i9v h ALA 172 N 10.41 0.98 -2.62 7.54 0.00 -1.96 -3.45 119.26 130.17 3i9v h ALA 172 Ca -0.37 -0.43 -0.53 0.00 0.00 0.00 0.00 54.91 53.59 3i9v h ALA 172 Cb 1.31 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 19.07 3i9v h ALA 172 CO 0.99 0.59 0.83 0.00 0.00 0.00 0.00 179.25 181.66 3i9v s ALA 173 N -3.59 3.72 0.75 0.00 0.00 -1.26 -5.01 121.76 116.37 3i9v s ALA 173 Ca -0.00 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 3i9v s ALA 173 Cb 0.11 -3.60 0.05 0.00 0.00 0.00 0.00 23.12 19.69 3i9v s ALA 173 CO 0.72 -0.74 1.12 -0.51 0.00 0.00 0.00 175.76 176.34 3i9v s LEU 174 N 0.91 2.71 -0.39 0.00 1.43 -1.26 -5.06 118.68 117.01 3i9v s LEU 174 Ca 0.67 0.84 0.08 0.00 -1.03 0.00 0.00 54.13 54.69 3i9v s LEU 174 Cb -0.42 -3.46 0.25 0.00 0.03 0.00 0.00 46.19 42.59 3i9v s LEU 174 CO 0.33 -1.65 0.51 1.07 0.23 0.00 0.00 176.35 176.85 3i9v n THR 175 N -3.13 -0.71 0.00 5.49 5.66 -1.26 -5.03 114.28 115.30 3i9v n THR 175 Ca 0.07 -3.99 0.00 0.00 -3.05 0.00 0.00 64.05 57.08 3i9v n THR 175 Cb 0.60 -1.95 0.00 0.00 -1.55 0.00 0.00 70.33 67.43 3i9v n THR 175 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i9v n GLY 176 N 1.46 -0.16 0.17 1.09 0.00 -1.26 -2.62 105.19 103.87 3i9v n GLY 176 Ca 0.21 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.37 3i9v n GLY 176 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i9v n LYS 177 N 0.00 0.80 -3.28 1.61 4.81 -1.26 -4.86 118.16 115.98 3i9v n LYS 177 Ca 0.00 -0.35 -0.39 0.00 -0.87 0.00 0.00 58.31 56.71 3i9v n LYS 177 Cb 0.00 -1.49 -0.07 0.00 0.02 0.00 0.00 35.03 33.49 3i9v n LYS 177 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3i9v s ASP 178 N -2.44 6.57 0.59 3.14 -1.08 -1.08 -4.98 116.67 117.40 3i9v s ASP 178 Ca 0.29 0.68 0.37 0.00 -0.52 0.00 0.00 52.55 53.37 3i9v s ASP 178 Cb 0.20 -2.28 1.76 0.00 -1.46 0.00 0.00 42.92 41.14 3i9v s ASP 178 CO 0.47 -0.13 2.13 1.55 0.52 0.00 0.00 175.17 179.71 3i9v h PRO 179 N 7.32 0.00 0.00 4.34 0.13 -1.94 -3.43 132.00 138.42 3i9v h PRO 179 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3i9v h PRO 179 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3i9v h PRO 179 CO 0.74 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.93 3i9v n GLY 180 N -0.41 -2.83 0.11 1.56 0.00 -1.26 -3.59 105.19 98.77 3i9v n GLY 180 Ca -0.01 -2.08 0.12 0.00 0.00 0.00 0.00 46.02 44.05 3i9v n GLY 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i9v h LEU 181 N 0.00 0.00 0.00 0.99 5.85 -1.94 -3.45 115.31 116.76 3i9v h LEU 181 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3i9v h LEU 181 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3i9v h LEU 181 CO 0.00 0.02 0.00 0.35 -0.34 0.00 0.00 178.44 178.47 3i9v n THR 182 N -2.59 0.00 0.05 1.05 -2.24 -1.26 -5.02 114.28 104.27 3i9v n THR 182 Ca 0.01 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.70 3i9v n THR 182 Cb 0.53 -1.17 0.05 0.00 -2.10 0.00 0.00 70.33 67.64 3i9v n THR 182 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3i9v h PHE 183 N -0.05 0.52 -2.82 4.78 0.05 -1.87 -3.47 116.94 114.07 3i9v h PHE 183 Ca 0.00 -0.21 0.07 0.00 3.82 0.00 0.00 57.97 61.65 3i9v h PHE 183 Cb 0.00 -0.09 -0.08 0.00 2.00 0.00 0.00 35.95 37.78 3i9v h PHE 183 CO 0.00 0.95 0.29 1.52 -0.18 0.00 0.00 178.31 180.89 3i9v s TYR 184 N -3.71 -0.28 -0.03 -0.55 -0.85 -1.26 -4.92 117.35 105.76 3i9v s TYR 184 Ca -0.06 -0.06 0.05 0.00 -0.52 0.00 0.00 57.07 56.49 3i9v s TYR 184 Cb 0.11 0.65 -0.01 0.00 0.38 0.00 0.00 41.96 43.08 3i9v s TYR 184 CO 0.83 -1.01 -0.20 -1.59 -1.52 0.00 0.00 175.55 172.06 3i9v s LYS 185 N -3.70 1.80 0.09 -3.49 -2.85 -1.24 -4.94 119.74 105.41 3i9v s LYS 185 Ca 0.08 -0.70 0.01 0.00 -1.00 0.00 0.00 55.97 54.36 3i9v s LYS 185 Cb -0.03 -1.64 -0.00 0.00 -2.06 0.00 0.00 37.83 34.09 3i9v s LYS 185 CO -0.00 0.36 0.09 0.41 0.10 0.00 0.00 175.35 176.30 3i9v n GLY 186 N 2.83 3.52 7.00 0.59 0.00 -1.26 -4.88 105.19 112.99 3i9v n GLY 186 Ca -0.16 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.21 3i9v n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9v n GLY 187 N -0.16 0.86 0.00 -0.02 0.00 -1.26 -3.21 105.19 101.40 3i9v n GLY 187 Ca 0.02 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.31 3i9v n GLY 187 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i9v n SER 188 N 1.32 0.00 -1.74 1.61 7.64 -1.26 -1.68 113.62 119.50 3i9v n SER 188 Ca 0.00 0.41 -0.16 0.00 1.01 0.00 0.00 58.87 60.12 3i9v n SER 188 Cb 0.00 -0.45 0.17 0.00 -1.01 0.00 0.00 64.21 62.91 3i9v n SER 188 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3i9v n ARG 189 N -1.45 2.20 -0.01 1.43 1.85 -1.20 -3.64 116.66 115.83 3i9v n ARG 189 Ca 0.04 -3.21 0.01 0.00 -1.00 0.00 0.00 57.85 53.69 3i9v n ARG 189 Cb 0.16 -2.03 0.02 0.00 -1.05 0.00 0.00 32.46 29.55 3i9v n ARG 189 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3i9v n LYS 190 N -1.08 0.41 0.00 2.89 4.81 -0.68 -4.67 118.16 119.83 3i9v n LYS 190 Ca 0.47 -0.92 0.00 0.00 -0.87 0.00 0.00 58.31 56.99 3i9v n LYS 190 Cb 1.22 -1.05 0.00 0.00 0.02 0.00 0.00 35.03 35.22 3i9v n LYS 190 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i9v n GLY 191 N -0.00 3.48 3.13 3.14 0.00 -1.24 -5.03 105.19 108.66 3i9v n GLY 191 Ca 0.02 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 3i9v n GLY 191 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i9v s TYR 192 N 0.00 1.33 -0.08 1.61 5.04 -1.24 -4.72 117.35 119.29 3i9v s TYR 192 Ca 0.00 -0.27 -0.04 0.00 -2.44 0.00 0.00 57.07 54.32 3i9v s TYR 192 Cb 0.00 -0.84 0.04 0.00 0.35 0.00 0.00 41.96 41.51 3i9v s TYR 192 CO 0.00 -0.01 0.19 0.50 -1.34 0.00 0.00 175.55 174.89 3i9v s ARG 193 N -0.50 0.14 0.92 4.97 6.06 -1.26 -5.15 118.95 124.14 3i9v s ARG 193 Ca 0.05 0.43 -0.12 0.00 -2.50 0.00 0.00 55.73 53.59 3i9v s ARG 193 Cb -0.06 -0.14 0.15 0.00 0.06 0.00 0.00 34.95 34.95 3i9v s ARG 193 CO -0.00 -0.16 1.13 0.45 -2.50 0.00 0.00 175.30 174.22 3i9v s SER 194 N 1.14 3.36 -0.53 -2.12 0.15 -1.26 -5.01 113.70 109.44 3i9v s SER 194 Ca -0.09 1.01 0.05 0.00 0.70 0.00 0.00 55.95 57.62 3i9v s SER 194 Cb -0.10 -1.60 0.38 0.00 -1.71 0.00 0.00 66.02 62.98 3i9v s SER 194 CO -0.07 -2.65 1.09 0.18 1.20 0.00 0.00 173.24 172.99 3i9v n LEU 195 N -3.83 4.78 0.00 3.45 7.99 -1.26 -5.30 117.00 122.82 3i9v n LEU 195 Ca 0.06 -5.43 0.00 0.00 -0.01 0.00 0.00 56.01 50.64 3i9v n LEU 195 Cb 0.59 -0.54 0.00 0.00 -0.11 0.00 0.00 43.42 43.35 3i9v n LEU 195 CO 0.57 2.27 0.00 -2.67 -1.51 0.00 0.00 177.39 176.06