#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xx9 s VAL 17 N 0.00 3.44 0.00 1.39 0.11 -0.06 -3.77 120.40 121.51 1xx9 s VAL 17 Ca 0.00 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1xx9 s VAL 17 Cb 0.00 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.37 1xx9 s VAL 17 CO 0.00 0.50 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 1xx9 n GLY 18 N 3.62 0.58 0.00 6.54 0.00 -1.23 -1.72 105.19 112.98 1xx9 n GLY 18 Ca -0.18 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1xx9 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xx9 n GLY 19 N -2.78 2.83 3.26 -0.02 0.00 -1.26 -4.81 105.19 102.42 1xx9 n GLY 19 Ca 0.00 -2.08 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 1xx9 n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xx9 s THR 20 N 1.39 0.27 0.29 2.61 -4.23 0.11 -4.88 115.64 111.20 1xx9 s THR 20 Ca 0.00 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.22 1xx9 s THR 20 Cb 0.00 -2.56 -0.10 0.00 1.34 0.00 0.00 72.50 71.18 1xx9 s THR 20 CO 0.00 0.00 1.40 0.00 -0.54 0.00 0.00 174.62 175.48 1xx9 s ALA 21 N -3.93 3.58 0.67 3.99 0.00 -1.26 -1.16 121.76 123.65 1xx9 s ALA 21 Ca 0.38 1.34 -0.06 0.00 0.00 0.00 0.00 51.96 53.62 1xx9 s ALA 21 Cb 0.07 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.70 1xx9 s ALA 21 CO 0.13 -0.75 0.98 -1.12 0.00 0.00 0.00 175.76 175.01 1xx9 s SER 22 N 0.04 5.04 0.11 0.00 0.01 -0.19 -4.83 113.70 113.88 1xx9 s SER 22 Ca 0.55 0.53 0.07 0.00 1.31 0.00 0.00 55.95 58.41 1xx9 s SER 22 Cb -0.42 -1.28 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 1xx9 s SER 22 CO 0.49 -1.44 -0.11 -0.69 0.41 0.00 0.00 173.24 171.89 1xx9 s VAL 23 N -3.17 3.30 -0.01 3.43 1.01 -1.26 -4.88 120.40 118.82 1xx9 s VAL 23 Ca 0.58 -1.31 -0.38 0.00 0.00 0.00 0.00 61.98 60.88 1xx9 s VAL 23 Cb -0.11 -2.54 -0.17 0.00 0.00 0.00 0.00 36.38 33.56 1xx9 s VAL 23 CO 0.45 0.11 1.37 -1.14 0.00 0.00 0.00 175.10 175.89 1xx9 n ARG 24 N 0.70 0.93 -0.90 2.72 3.00 -1.26 -0.69 116.66 121.16 1xx9 n ARG 24 Ca -0.14 0.34 0.00 0.00 -0.00 0.00 0.00 57.85 58.05 1xx9 n ARG 24 Cb 0.52 -1.96 0.00 0.00 0.00 0.00 0.00 32.46 31.02 1xx9 n ARG 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xx9 n GLY 25 N 2.68 0.76 0.20 5.14 0.00 -1.26 -4.90 105.19 107.82 1xx9 n GLY 25 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1xx9 n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xx9 h GLU 26 N 2.27 0.64 -2.25 1.61 4.81 -1.23 -3.35 114.58 117.08 1xx9 h GLU 26 Ca 0.00 -0.23 -0.60 0.00 -0.13 0.00 0.00 59.36 58.40 1xx9 h GLU 26 Cb 0.01 -0.05 -0.42 0.00 0.63 0.00 0.00 28.75 28.93 1xx9 h GLU 26 CO 0.00 0.78 -0.56 0.91 -0.73 0.00 0.00 179.01 179.41 1xx9 n TRP 27 N -4.46 3.63 0.21 0.92 7.02 -1.26 -4.94 117.44 118.56 1xx9 n TRP 27 Ca -0.02 -4.14 0.12 0.00 -1.02 0.00 0.00 57.50 52.44 1xx9 n TRP 27 Cb 0.31 -0.58 0.64 0.00 -2.42 0.00 0.00 31.31 29.26 1xx9 n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1xx9 h PRO 28 N 4.26 0.00 0.00 -0.99 0.13 -1.81 -1.52 132.00 132.07 1xx9 h PRO 28 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1xx9 h PRO 28 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1xx9 h PRO 28 CO 0.84 0.00 -1.25 -2.67 -0.23 0.00 0.00 178.00 174.70 1xx9 n TRP 29 N -2.40 0.29 -2.13 1.56 2.14 -1.19 -2.04 117.44 113.65 1xx9 n TRP 29 Ca -0.02 0.08 -0.42 0.00 2.07 0.00 0.00 57.50 59.22 1xx9 n TRP 29 Cb 0.18 -0.49 -0.03 0.00 -0.81 0.00 0.00 31.31 30.15 1xx9 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1xx9 s GLN 30 N -3.28 4.29 0.33 -2.67 2.00 -0.57 -0.96 119.66 118.80 1xx9 s GLN 30 Ca 0.01 2.11 0.07 0.00 -2.00 0.00 0.00 55.36 55.55 1xx9 s GLN 30 Cb 0.14 -3.32 -0.07 0.00 0.80 0.00 0.00 33.01 30.56 1xx9 s GLN 30 CO 0.83 -0.50 -0.03 0.14 -0.50 0.00 0.00 175.29 175.23 1xx9 s VAL 31 N 1.44 1.80 -0.15 1.34 -7.23 -0.50 -4.40 120.40 112.70 1xx9 s VAL 31 Ca 0.66 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1xx9 s VAL 31 Cb -0.37 -2.69 0.03 0.00 0.56 0.00 0.00 36.38 33.91 1xx9 s VAL 31 CO 0.30 -0.15 -0.10 0.28 -0.31 0.00 0.00 175.10 175.11 1xx9 s THR 32 N -2.89 1.37 -0.06 5.32 -1.32 -0.88 -2.88 115.64 114.30 1xx9 s THR 32 Ca 0.33 -0.60 -0.22 0.00 -1.21 0.00 0.00 61.69 60.00 1xx9 s THR 32 Cb 0.06 -1.37 -0.04 0.00 -1.51 0.00 0.00 72.50 69.64 1xx9 s THR 32 CO 0.15 0.34 0.63 -0.76 -2.21 0.00 0.00 174.62 172.78 1xx9 s LEU 33 N 1.56 4.34 0.10 9.08 1.43 -0.11 -2.24 118.68 132.84 1xx9 s LEU 33 Ca 0.03 1.12 0.10 0.00 -1.03 0.00 0.00 54.13 54.36 1xx9 s LEU 33 Cb -0.14 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 1xx9 s LEU 33 CO -0.09 -0.03 -0.26 -1.00 0.23 0.00 0.00 176.35 175.19 1xx9 s HIS 34 N 0.47 2.33 -0.08 0.29 3.76 0.15 -0.20 115.29 122.01 1xx9 s HIS 34 Ca 0.34 -0.38 0.04 0.00 -0.15 0.00 0.00 55.06 54.91 1xx9 s HIS 34 Cb -0.17 -1.30 -0.00 0.00 1.11 0.00 0.00 32.58 32.22 1xx9 s HIS 34 CO 0.17 0.28 -0.23 0.95 -0.85 0.00 0.00 174.74 175.06 1xx9 s THR 35 N -0.99 1.93 -0.40 1.30 -4.23 -0.85 -1.19 115.64 111.20 1xx9 s THR 35 Ca 0.14 -0.96 0.08 0.00 -1.18 0.00 0.00 61.69 59.76 1xx9 s THR 35 Cb -0.10 -1.67 0.56 0.00 1.34 0.00 0.00 72.50 72.63 1xx9 s THR 35 CO 0.05 0.53 1.51 0.35 -0.54 0.00 0.00 174.62 176.52 1xx9 n THR 36 N 3.41 2.23 -3.72 3.99 -2.24 -0.93 -1.44 114.28 115.57 1xx9 n THR 36 Ca -0.19 -1.16 -0.14 0.00 -2.27 0.00 0.00 64.05 60.29 1xx9 n THR 36 Cb 0.53 -0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 68.17 1xx9 n THR 36 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xx9 s SER 37 N -0.60 0.09 -0.00 3.42 1.04 -1.26 -4.15 113.70 112.23 1xx9 s SER 37 Ca 0.40 0.37 -0.23 0.00 0.48 0.00 0.00 55.95 56.97 1xx9 s SER 37 Cb 0.32 0.28 -0.14 0.00 0.10 0.00 0.00 66.02 66.59 1xx9 s SER 37 CO 0.10 -0.18 1.00 1.55 0.98 0.00 0.00 173.24 176.69 1xx9 h PRO 37 N 7.57 -0.66 -6.25 4.02 0.13 -2.03 -3.48 132.00 131.31 1xx9 h PRO 37 Ca -0.34 0.04 -0.56 0.00 -0.87 0.00 0.00 66.00 64.28 1xx9 h PRO 37 Cb 1.14 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1xx9 h PRO 37 CO 0.33 -0.37 -0.27 0.95 -0.23 0.00 0.00 178.00 178.41 1xx9 s THR 37 N -4.25 5.13 0.14 1.56 -4.23 -1.26 -5.05 115.64 107.67 1xx9 s THR 37 Ca -0.12 0.03 -0.31 0.00 -1.18 0.00 0.00 61.69 60.11 1xx9 s THR 37 Cb 0.01 -3.65 -0.08 0.00 1.34 0.00 0.00 72.50 70.12 1xx9 s THR 37 CO 0.41 -0.05 1.42 -1.58 -0.54 0.00 0.00 174.62 174.28 1xx9 s GLN 37 N -2.88 4.30 0.23 3.99 0.74 -1.24 -4.51 119.66 120.29 1xx9 s GLN 37 Ca 0.42 2.14 -0.14 0.00 0.05 0.00 0.00 55.36 57.82 1xx9 s GLN 37 Cb -0.12 -3.22 0.01 0.00 1.10 0.00 0.00 33.01 30.78 1xx9 s GLN 37 CO 0.25 -0.45 0.50 -0.98 -0.55 0.00 0.00 175.29 174.06 1xx9 s ARG 37 N 0.93 1.49 -0.23 1.67 1.70 -0.52 -4.97 118.95 119.01 1xx9 s ARG 37 Ca 0.65 -1.12 -0.29 0.00 -0.47 0.00 0.00 55.73 54.50 1xx9 s ARG 37 Cb -0.38 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.49 1xx9 s ARG 37 CO 0.32 -0.63 1.15 -1.58 -1.08 0.00 0.00 175.30 173.48 1xx9 s HIS 38 N -3.97 3.09 -0.17 5.89 5.65 -1.26 -2.01 115.29 122.51 1xx9 s HIS 38 Ca 0.17 1.22 -0.14 0.00 0.25 0.00 0.00 55.06 56.57 1xx9 s HIS 38 Cb -0.01 -3.46 -0.08 0.00 -1.18 0.00 0.00 32.58 27.85 1xx9 s HIS 38 CO 0.05 -1.05 -0.14 -0.11 -0.65 0.00 0.00 174.74 172.84 1xx9 n LEU 39 N 6.61 1.85 -4.05 8.88 7.94 0.72 -4.95 117.00 134.00 1xx9 n LEU 39 Ca 0.13 0.52 -0.13 0.00 -1.11 0.00 0.00 56.01 55.42 1xx9 n LEU 39 Cb 0.46 -0.87 -0.04 0.00 0.53 0.00 0.00 43.42 43.50 1xx9 n LEU 39 CO 0.55 -0.20 0.17 0.00 -1.11 0.00 0.00 177.39 176.80 1xx9 s GLY 41 N -3.18 1.98 0.12 0.00 0.00 0.23 -0.93 107.32 105.53 1xx9 s GLY 41 Ca 0.28 -1.77 -0.26 0.00 0.00 0.00 0.00 44.72 42.97 1xx9 s GLY 41 CO 0.17 -1.58 0.98 -0.32 0.00 0.00 0.00 173.10 172.35 1xx9 s GLY 42 N -4.34 -0.27 -0.05 0.20 0.00 -1.14 -3.52 107.32 98.20 1xx9 s GLY 42 Ca 0.54 0.27 0.03 0.00 0.00 0.00 0.00 44.72 45.56 1xx9 s GLY 42 CO 0.32 0.05 -0.11 -0.56 0.00 0.00 0.00 173.10 172.80 1xx9 s SER 43 N -2.89 1.61 0.01 1.64 0.01 -0.18 -1.40 113.70 112.49 1xx9 s SER 43 Ca 0.12 -0.26 -0.30 0.00 1.31 0.00 0.00 55.95 56.81 1xx9 s SER 43 Cb -0.01 -0.63 -0.05 0.00 0.21 0.00 0.00 66.02 65.54 1xx9 s SER 43 CO 0.01 0.05 1.35 -0.63 0.41 0.00 0.00 173.24 174.43 1xx9 s ILE 44 N 0.47 3.77 0.00 1.44 1.01 -0.13 -0.71 121.20 127.05 1xx9 s ILE 44 Ca -0.10 1.18 0.00 0.00 0.00 0.00 0.00 60.65 61.73 1xx9 s ILE 44 Cb -0.13 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.58 1xx9 s ILE 44 CO 0.02 0.02 0.22 2.30 0.00 0.00 0.00 174.94 177.51 1xx9 n ILE 45 N 4.49 0.00 -3.73 2.92 -5.35 -0.56 -1.66 119.36 115.47 1xx9 n ILE 45 Ca 0.12 -0.32 -0.04 0.00 -0.27 0.00 0.00 62.75 62.24 1xx9 n ILE 45 Cb 0.44 1.25 -0.01 0.00 -1.74 0.00 0.00 39.64 39.57 1xx9 n ILE 45 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1xx9 s GLY 46 N -0.20 -0.26 0.34 3.28 0.00 -1.15 -4.84 107.32 104.50 1xx9 s GLY 46 Ca 0.00 0.20 0.14 0.00 0.00 0.00 0.00 44.72 45.07 1xx9 s GLY 46 CO 0.00 0.04 1.69 3.45 0.00 0.00 0.00 173.10 178.28 1xx9 h ASN 47 N 2.00 0.54 -0.33 1.64 -1.07 -1.99 -2.56 115.58 113.82 1xx9 h ASN 47 Ca -0.24 0.16 -0.24 0.00 0.07 0.00 0.00 56.30 56.05 1xx9 h ASN 47 Cb 1.23 0.10 -0.38 0.00 -2.07 0.00 0.00 38.32 37.20 1xx9 h ASN 47 CO 0.26 -0.05 -1.04 0.00 0.07 0.00 0.00 177.43 176.67 1xx9 n GLN 48 N -4.95 1.43 -4.12 4.14 10.64 -1.26 0.17 117.38 123.44 1xx9 n GLN 48 Ca 0.30 -3.15 -0.21 0.00 -1.83 0.00 0.00 57.00 52.11 1xx9 n GLN 48 Cb 0.93 -1.24 -0.17 0.00 -0.86 0.00 0.00 30.24 28.91 1xx9 n GLN 48 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1xx9 s TRP 51 N -2.73 0.82 -0.07 2.61 0.52 -0.97 -0.29 118.94 118.84 1xx9 s TRP 51 Ca 0.32 -0.25 0.04 0.00 0.02 0.00 0.00 56.10 56.23 1xx9 s TRP 51 Cb 0.35 -0.74 -0.02 0.00 -1.15 0.00 0.00 33.47 31.91 1xx9 s TRP 51 CO -0.07 -0.24 -0.19 0.42 0.02 0.00 0.00 176.95 176.90 1xx9 s ILE 52 N 1.10 2.60 -0.08 2.03 -1.09 -0.87 -1.50 121.20 123.40 1xx9 s ILE 52 Ca -0.08 -0.87 -0.02 0.00 -2.23 0.00 0.00 60.65 57.45 1xx9 s ILE 52 Cb -0.14 -2.00 -0.03 0.00 -1.58 0.00 0.00 42.46 38.70 1xx9 s ILE 52 CO -0.01 0.57 0.02 -0.22 -1.23 0.00 0.00 174.94 174.07 1xx9 s LEU 53 N -0.26 3.67 0.00 2.97 2.96 0.11 -0.96 118.68 127.17 1xx9 s LEU 53 Ca 0.00 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 1xx9 s LEU 53 Cb -0.13 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.67 1xx9 s LEU 53 CO 0.03 0.37 0.00 1.07 -1.32 0.00 0.00 176.35 176.49 1xx9 n THR 54 N 2.00 0.00 -3.68 3.68 5.66 -0.65 -1.02 114.28 120.27 1xx9 n THR 54 Ca -0.18 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.46 1xx9 n THR 54 Cb 0.54 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.25 1xx9 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xx9 s ALA 55 N -1.00 3.71 0.18 1.79 0.00 -1.26 -1.00 121.76 124.18 1xx9 s ALA 55 Ca 0.00 -0.54 -0.13 0.00 0.00 0.00 0.00 51.96 51.28 1xx9 s ALA 55 Cb 0.00 -2.21 0.14 0.00 0.00 0.00 0.00 23.12 21.04 1xx9 s ALA 55 CO 0.00 0.30 1.77 0.00 0.00 0.00 0.00 175.76 177.83 1xx9 h ALA 56 N 5.99 0.61 0.00 0.00 0.00 -1.76 -2.29 119.26 121.81 1xx9 h ALA 56 Ca -0.46 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1xx9 h ALA 56 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1xx9 h ALA 56 CO 0.69 -0.14 0.00 1.12 0.00 0.00 0.00 179.25 180.93 1xx9 h HIS 57 N 0.44 0.00 0.00 0.00 2.07 -1.95 -2.27 115.15 113.44 1xx9 h HIS 57 Ca 0.22 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.72 1xx9 h HIS 57 Cb 0.16 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.14 1xx9 h HIS 57 CO -0.12 0.00 -0.11 0.00 -3.07 0.00 0.00 177.93 174.63 1xx9 n PHE 59 N -4.18 2.67 0.01 0.00 3.01 -0.86 -4.71 117.46 113.40 1xx9 n PHE 59 Ca -0.03 -2.11 -0.13 0.00 1.01 0.00 0.00 57.45 56.19 1xx9 n PHE 59 Cb 0.19 -0.94 -0.07 0.00 -0.01 0.00 0.00 39.48 38.65 1xx9 n PHE 59 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 1xx9 h TYR 59 N 1.31 -1.26 -1.28 1.38 -0.00 -1.69 -2.57 116.97 112.86 1xx9 h TYR 59 Ca 0.53 0.05 -0.70 0.00 -0.00 0.00 0.00 58.73 58.61 1xx9 h TYR 59 Cb 2.04 0.57 -0.29 0.00 -0.00 0.00 0.00 36.73 39.04 1xx9 h TYR 59 CO 1.40 -0.49 0.84 0.41 -0.00 0.00 0.00 178.16 180.32 1xx9 n GLY 59 N -1.44 5.80 2.90 1.82 0.00 -1.26 -4.86 105.19 108.15 1xx9 n GLY 59 Ca -0.05 -2.38 -0.30 0.00 0.00 0.00 0.00 46.02 43.29 1xx9 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xx9 s VAL 59 N -4.90 1.74 -0.37 1.61 1.01 -0.97 -4.95 120.40 113.57 1xx9 s VAL 59 Ca 0.61 -2.06 0.08 0.00 0.00 0.00 0.00 61.98 60.60 1xx9 s VAL 59 Cb 0.48 -2.29 0.73 0.00 0.00 0.00 0.00 36.38 35.30 1xx9 s VAL 59 CO -0.13 -0.65 1.85 -0.62 0.00 0.00 0.00 175.10 175.55 1xx9 n GLU 60 N 4.38 3.29 -3.29 2.72 1.02 -1.26 -4.81 120.64 122.69 1xx9 n GLU 60 Ca 0.02 -3.06 0.03 0.00 -0.02 0.00 0.00 57.16 54.13 1xx9 n GLU 60 Cb 0.41 -2.21 -0.03 0.00 -0.02 0.00 0.00 31.44 29.59 1xx9 n GLU 60 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xx9 s SER 61 N -1.09 -0.50 0.00 1.62 0.15 -1.26 -5.01 113.70 107.61 1xx9 s SER 61 Ca 0.56 0.56 0.10 0.00 0.70 0.00 0.00 55.95 57.87 1xx9 s SER 61 Cb 0.45 1.52 0.61 0.00 -1.71 0.00 0.00 66.02 66.89 1xx9 s SER 61 CO 0.13 -0.10 1.04 -0.81 1.20 0.00 0.00 173.24 174.70 1xx9 n PRO 62 N 5.07 0.36 0.19 5.44 -0.04 -1.26 -2.94 135.00 141.81 1xx9 n PRO 62 Ca -0.08 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.44 1xx9 n PRO 62 Cb 0.53 -1.45 0.36 0.00 -0.04 0.00 0.00 33.50 32.90 1xx9 n PRO 62 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xx9 h LYS 63 N 0.00 0.00 -0.05 0.54 1.63 -1.94 -2.96 116.57 113.78 1xx9 h LYS 63 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xx9 h LYS 63 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1xx9 h LYS 63 CO 0.00 0.37 0.00 0.44 -3.45 0.00 0.00 179.45 176.81 1xx9 n ILE 64 N -3.59 0.06 -3.70 2.00 -5.35 -1.15 -4.88 119.36 102.75 1xx9 n ILE 64 Ca -0.00 -0.17 -0.34 0.00 -0.27 0.00 0.00 62.75 61.97 1xx9 n ILE 64 Cb 0.49 0.07 -0.05 0.00 -1.74 0.00 0.00 39.64 38.41 1xx9 n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1xx9 s LEU 65 N -1.79 4.34 -0.05 7.28 1.43 -1.12 -2.20 118.68 126.58 1xx9 s LEU 65 Ca 0.36 0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 54.05 1xx9 s LEU 65 Cb 0.18 -2.93 0.03 0.00 0.03 0.00 0.00 46.19 43.51 1xx9 s LEU 65 CO 0.30 0.18 0.08 -0.13 0.23 0.00 0.00 176.35 177.00 1xx9 s ARG 66 N -2.06 -0.05 -0.22 1.70 1.81 -0.33 -4.32 118.95 115.47 1xx9 s ARG 66 Ca 0.33 0.38 -0.08 0.00 -1.72 0.00 0.00 55.73 54.63 1xx9 s ARG 66 Cb -0.13 -0.41 -0.04 0.00 -0.45 0.00 0.00 34.95 33.92 1xx9 s ARG 66 CO 0.19 -0.29 0.10 0.08 -0.68 0.00 0.00 175.30 174.70 1xx9 s VAL 67 N 1.98 4.82 -0.15 3.52 1.01 -0.59 -0.67 120.40 130.31 1xx9 s VAL 67 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1xx9 s VAL 67 Cb -0.12 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1xx9 s VAL 67 CO -0.04 0.38 -0.09 -0.31 0.00 0.00 0.00 175.10 175.05 1xx9 s TYR 68 N 1.00 2.91 0.40 5.22 1.51 -0.95 -0.16 117.35 127.28 1xx9 s TYR 68 Ca 0.05 -0.58 0.08 0.00 -1.01 0.00 0.00 57.07 55.61 1xx9 s TYR 68 Cb -0.14 -1.93 -0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1xx9 s TYR 68 CO 0.03 -0.21 0.31 -1.54 -1.11 0.00 0.00 175.55 173.03 1xx9 s SER 69 N 0.54 4.93 -1.27 2.29 1.04 -1.26 -2.06 113.70 117.91 1xx9 s SER 69 Ca -0.06 -0.78 -0.09 0.00 0.48 0.00 0.00 55.95 55.50 1xx9 s SER 69 Cb -0.15 -0.62 0.07 0.00 0.10 0.00 0.00 66.02 65.42 1xx9 s SER 69 CO 0.03 -0.56 0.47 0.61 0.98 0.00 0.00 173.24 174.77 1xx9 n GLY 70 N -1.43 -0.48 3.69 7.32 0.00 -1.14 -4.95 105.19 108.20 1xx9 n GLY 70 Ca 0.01 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1xx9 n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xx9 s ILE 71 N -2.91 4.83 0.00 -0.61 -1.09 -1.26 -5.00 121.20 115.16 1xx9 s ILE 71 Ca 0.39 -0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 1xx9 s ILE 71 Cb -0.21 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1xx9 s ILE 71 CO 0.48 0.52 0.00 -0.11 -1.23 0.00 0.00 174.94 174.60 1xx9 n LEU 72 N 2.98 0.00 -4.79 2.97 7.94 -1.26 -4.92 117.00 119.92 1xx9 n LEU 72 Ca -0.18 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.34 1xx9 n LEU 72 Cb 0.53 -0.29 -0.06 0.00 0.53 0.00 0.00 43.42 44.13 1xx9 n LEU 72 CO 0.33 -0.40 0.33 0.20 -1.11 0.00 0.00 177.39 176.74 1xx9 s ASN 73 N -3.52 7.11 0.55 1.96 0.01 -1.26 -2.31 114.94 117.49 1xx9 s ASN 73 Ca 0.00 1.32 0.33 0.00 -0.71 0.00 0.00 52.86 53.80 1xx9 s ASN 73 Cb 0.00 -2.39 1.56 0.00 0.41 0.00 0.00 41.25 40.83 1xx9 s ASN 73 CO 0.00 0.21 2.07 -0.61 -1.51 0.00 0.00 177.10 177.26 1xx9 h GLN 74 N 4.82 0.00 0.00 -0.60 5.75 0.10 -2.60 115.11 122.58 1xx9 h GLN 74 Ca -0.48 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1xx9 h GLN 74 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 1xx9 h GLN 74 CO 0.66 0.07 0.00 -1.13 -2.65 0.00 0.00 178.83 175.77 1xx9 n SER 75 N -3.30 0.35 -0.32 -0.69 3.41 -1.26 -2.80 113.62 109.01 1xx9 n SER 75 Ca -0.01 0.57 0.04 0.00 -0.26 0.00 0.00 58.87 59.21 1xx9 n SER 75 Cb 0.25 -0.65 0.13 0.00 -0.26 0.00 0.00 64.21 63.68 1xx9 n SER 75 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1xx9 n GLU 76 N -1.87 1.40 -3.57 4.33 0.28 -0.98 -4.66 120.64 115.57 1xx9 n GLU 76 Ca 0.04 -0.62 -0.41 0.00 -0.16 0.00 0.00 57.16 56.01 1xx9 n GLU 76 Cb 0.25 -1.17 -0.10 0.00 1.43 0.00 0.00 31.44 31.85 1xx9 n GLU 76 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xx9 s ILE 77 N -1.79 4.48 0.36 3.84 1.01 -1.12 -4.95 121.20 123.03 1xx9 s ILE 77 Ca 0.14 -1.19 0.02 0.00 0.00 0.00 0.00 60.65 59.63 1xx9 s ILE 77 Cb 0.07 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.91 1xx9 s ILE 77 CO 0.10 -0.44 0.20 0.29 0.00 0.00 0.00 174.94 175.09 1xx9 n LYS 78 N 4.98 1.02 0.19 2.79 4.01 -1.26 -5.00 118.16 124.89 1xx9 n LYS 78 Ca -0.11 -2.34 0.03 0.00 -0.51 0.00 0.00 58.31 55.38 1xx9 n LYS 78 Cb 0.44 0.36 0.38 0.00 -0.51 0.00 0.00 35.03 35.70 1xx9 n LYS 78 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1xx9 h GLU 79 N 0.00 0.01 -0.24 1.97 4.57 -2.01 -2.55 114.58 116.33 1xx9 h GLU 79 Ca -0.25 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1xx9 h GLU 79 Cb 0.85 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1xx9 h GLU 79 CO 0.39 0.35 0.00 -0.40 -1.18 0.00 0.00 179.01 178.17 1xx9 n ASP 80 N -4.13 1.89 -4.74 1.04 5.75 -1.26 -4.89 116.55 110.20 1xx9 n ASP 80 Ca -0.02 -1.81 -0.41 0.00 -0.01 0.00 0.00 54.79 52.55 1xx9 n ASP 80 Cb 0.38 -0.16 -0.05 0.00 -1.03 0.00 0.00 41.12 40.26 1xx9 n ASP 80 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1xx9 s THR 81 N -1.69 4.36 0.49 2.12 2.01 -0.96 -5.03 115.64 116.95 1xx9 s THR 81 Ca 0.31 2.06 -0.19 0.00 0.31 0.00 0.00 61.69 64.18 1xx9 s THR 81 Cb 0.17 -4.32 -0.08 0.00 0.01 0.00 0.00 72.50 68.28 1xx9 s THR 81 CO 0.24 0.38 1.02 -0.94 -0.69 0.00 0.00 174.62 174.63 1xx9 s SER 81 N -0.40 6.39 0.29 3.53 1.04 -1.26 -4.90 113.70 118.39 1xx9 s SER 81 Ca 0.45 1.83 -0.13 0.00 0.48 0.00 0.00 55.95 58.58 1xx9 s SER 81 Cb -0.24 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.34 1xx9 s SER 81 CO 0.30 -0.74 0.57 0.72 0.98 0.00 0.00 173.24 175.07 1xx9 s PHE 82 N -2.15 0.34 -0.12 5.02 -0.12 -1.26 -4.83 117.98 114.87 1xx9 s PHE 82 Ca 0.65 -0.75 -0.06 0.00 -0.05 0.00 0.00 56.93 56.73 1xx9 s PHE 82 Cb -0.14 0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 1xx9 s PHE 82 CO 0.22 -1.16 0.09 -0.06 -0.05 0.00 0.00 175.22 174.27 1xx9 s PHE 83 N -3.57 3.44 0.47 3.49 0.40 0.78 -4.91 117.98 118.09 1xx9 s PHE 83 Ca 0.21 0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 56.85 1xx9 s PHE 83 Cb -0.02 -1.91 -0.05 0.00 0.51 0.00 0.00 43.02 41.55 1xx9 s PHE 83 CO 0.11 0.62 0.82 0.20 0.70 0.00 0.00 175.22 177.67 1xx9 s GLY 84 N -0.87 1.74 -0.24 4.36 0.00 -1.26 -1.54 107.32 109.51 1xx9 s GLY 84 Ca 0.14 -0.29 -0.10 0.00 0.00 0.00 0.00 44.72 44.47 1xx9 s GLY 84 CO 0.03 -0.09 0.14 0.14 0.00 0.00 0.00 173.10 173.32 1xx9 s VAL 85 N -2.64 5.14 -0.11 1.40 1.01 -1.26 0.26 120.40 124.20 1xx9 s VAL 85 Ca 0.51 0.11 -0.26 0.00 0.00 0.00 0.00 61.98 62.33 1xx9 s VAL 85 Cb -0.10 -3.40 -0.27 0.00 0.00 0.00 0.00 36.38 32.60 1xx9 s VAL 85 CO 0.40 0.34 0.77 -0.61 0.00 0.00 0.00 175.10 175.99 1xx9 h GLN 86 N 7.68 0.10 -2.41 2.72 4.15 -0.40 -3.42 115.11 123.52 1xx9 h GLN 86 Ca -0.37 -0.18 -0.08 0.00 0.77 0.00 0.00 58.65 58.79 1xx9 h GLN 86 Cb 1.17 0.07 -0.20 0.00 0.21 0.00 0.00 27.48 28.73 1xx9 h GLN 86 CO 0.63 1.08 -0.02 -1.83 -1.93 0.00 0.00 178.83 176.76 1xx9 s GLU 87 N -2.30 0.82 -0.36 1.69 -1.05 -1.12 -4.90 118.70 111.48 1xx9 s GLU 87 Ca -0.18 0.30 -0.15 0.00 -0.15 0.00 0.00 54.97 54.79 1xx9 s GLU 87 Cb -0.01 0.38 -0.01 0.00 -0.44 0.00 0.00 34.13 34.06 1xx9 s GLU 87 CO 0.73 -0.21 0.33 0.42 0.95 0.00 0.00 175.26 177.49 1xx9 s ILE 88 N -0.76 5.20 -0.34 1.83 1.01 -1.26 -1.78 121.20 125.10 1xx9 s ILE 88 Ca -0.08 -0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.33 1xx9 s ILE 88 Cb -0.03 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.63 1xx9 s ILE 88 CO 0.05 -0.13 0.15 -0.63 0.00 0.00 0.00 174.94 174.38 1xx9 s ILE 89 N 1.92 4.30 -0.12 2.92 1.01 0.33 -4.98 121.20 126.58 1xx9 s ILE 89 Ca 0.10 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 1xx9 s ILE 89 Cb -0.17 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1xx9 s ILE 89 CO 0.11 -0.12 -0.03 -0.63 0.00 0.00 0.00 174.94 174.27 1xx9 s ILE 90 N 1.52 4.01 -0.05 2.92 1.01 -1.26 0.19 121.20 129.54 1xx9 s ILE 90 Ca 0.02 -0.34 -0.37 0.00 0.00 0.00 0.00 60.65 59.96 1xx9 s ILE 90 Cb -0.19 -2.71 -0.15 0.00 0.01 0.00 0.00 42.46 39.42 1xx9 s ILE 90 CO 0.05 0.55 1.59 1.57 0.00 0.00 0.00 174.94 178.70 1xx9 n HIS 91 N 2.86 1.93 0.30 3.97 -0.00 -1.13 -4.80 115.22 118.35 1xx9 n HIS 91 Ca -0.18 0.45 0.17 0.00 -0.00 0.00 0.00 57.72 58.16 1xx9 n HIS 91 Cb 0.53 -2.46 0.88 0.00 -0.00 0.00 0.00 29.99 28.94 1xx9 n HIS 91 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1xx9 h ASP 92 N 6.35 0.00 -0.73 0.26 3.32 -1.94 -0.74 116.42 122.94 1xx9 h ASP 92 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1xx9 h ASP 92 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1xx9 h ASP 92 CO 0.88 0.00 0.00 1.67 -1.72 0.00 0.00 179.24 180.07 1xx9 n GLN 93 N -3.07 2.90 -2.79 3.56 7.27 -1.26 -4.97 117.38 119.02 1xx9 n GLN 93 Ca -0.01 -2.71 -0.35 0.00 0.07 0.00 0.00 57.00 54.00 1xx9 n GLN 93 Cb 0.35 -1.63 -0.07 0.00 2.41 0.00 0.00 30.24 31.30 1xx9 n GLN 93 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1xx9 s TYR 94 N -1.15 3.48 0.00 3.69 5.04 -0.29 -4.91 117.35 123.21 1xx9 s TYR 94 Ca 0.50 1.69 0.00 0.00 -2.44 0.00 0.00 57.07 56.82 1xx9 s TYR 94 Cb 0.27 -2.90 0.00 0.00 0.35 0.00 0.00 41.96 39.69 1xx9 s TYR 94 CO 0.32 0.01 0.00 1.17 -1.34 0.00 0.00 175.55 175.71 1xx9 n LYS 95 N -0.08 0.00 -3.67 4.97 4.81 -1.26 -5.05 118.16 117.87 1xx9 n LYS 95 Ca 0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.40 1xx9 n LYS 95 Cb 0.52 -0.14 -0.10 0.00 0.02 0.00 0.00 35.03 35.34 1xx9 n LYS 95 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1xx9 s MET 96 N -1.41 0.40 0.13 1.64 -1.94 -1.26 -5.07 119.30 111.79 1xx9 s MET 96 Ca 0.00 0.97 -0.26 0.00 -1.71 0.00 0.00 55.69 54.70 1xx9 s MET 96 Cb 0.00 0.20 -0.06 0.00 2.01 0.00 0.00 34.83 36.98 1xx9 s MET 96 CO 0.00 -0.20 1.28 0.00 -0.01 0.00 0.00 175.02 176.09 1xx9 n ALA 97 N 4.83 -0.53 0.10 3.03 0.00 -1.26 0.12 120.51 126.80 1xx9 n ALA 97 Ca -0.16 0.70 0.20 0.00 0.00 0.00 0.00 53.44 54.18 1xx9 n ALA 97 Cb 0.53 -0.11 0.67 0.00 0.00 0.00 0.00 19.45 20.53 1xx9 n ALA 97 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xx9 h GLU 98 N 0.00 0.00 -0.01 0.00 3.07 -1.97 0.84 114.58 116.51 1xx9 h GLU 98 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1xx9 h GLU 98 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1xx9 h GLU 98 CO -0.78 0.00 -0.28 0.43 -1.40 0.00 0.00 179.01 176.98 1xx9 n SER 99 N -3.40 0.82 0.00 1.42 7.64 0.12 -4.84 113.62 115.38 1xx9 n SER 99 Ca 0.08 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.27 1xx9 n SER 99 Cb 0.76 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 1xx9 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xx9 n GLY 100 N 1.37 -1.71 2.53 0.23 0.00 0.29 -4.98 105.19 102.92 1xx9 n GLY 100 Ca 0.11 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 1xx9 n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xx9 n TYR 101 N 0.00 0.00 -1.78 1.61 4.02 -1.26 -4.55 117.16 115.20 1xx9 n TYR 101 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1xx9 n TYR 101 Cb 0.00 -2.64 -0.00 0.00 -0.02 0.00 0.00 39.34 36.68 1xx9 n TYR 101 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1xx9 n ASP 102 N -0.68 4.07 -3.91 7.72 4.64 -1.26 -4.54 116.55 122.58 1xx9 n ASP 102 Ca -0.14 -2.86 -0.12 0.00 -1.38 0.00 0.00 54.79 50.29 1xx9 n ASP 102 Cb 0.52 -1.64 -0.14 0.00 -1.04 0.00 0.00 41.12 38.82 1xx9 n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1xx9 s ILE 103 N 2.92 0.13 0.08 5.18 2.07 -1.26 -4.13 121.20 126.19 1xx9 s ILE 103 Ca 0.47 -0.23 -0.09 0.00 -1.41 0.00 0.00 60.65 59.39 1xx9 s ILE 103 Cb 0.14 -0.15 -0.00 0.00 0.13 0.00 0.00 42.46 42.58 1xx9 s ILE 103 CO -0.08 -0.06 0.19 0.00 -1.91 0.00 0.00 174.94 173.08 1xx9 s ALA 104 N -0.29 -0.25 0.00 1.50 0.00 -0.17 -2.86 121.76 119.69 1xx9 s ALA 104 Ca -0.02 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 51.46 1xx9 s ALA 104 Cb -0.02 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 1xx9 s ALA 104 CO -0.00 -0.47 -0.22 -0.51 0.00 0.00 0.00 175.76 174.55 1xx9 s LEU 105 N -2.68 2.08 -0.24 0.00 1.43 0.13 -1.64 118.68 117.76 1xx9 s LEU 105 Ca 0.03 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1xx9 s LEU 105 Cb 0.04 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 45.15 1xx9 s LEU 105 CO -0.09 0.25 -0.09 -0.76 0.23 0.00 0.00 176.35 175.89 1xx9 s LEU 106 N -0.72 3.00 -0.39 1.79 1.43 -0.13 -0.51 118.68 123.14 1xx9 s LEU 106 Ca 0.09 -0.87 -0.23 0.00 -1.03 0.00 0.00 54.13 52.09 1xx9 s LEU 106 Cb -0.09 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1xx9 s LEU 106 CO -0.00 -0.10 0.76 -0.75 0.23 0.00 0.00 176.35 176.48 1xx9 s LYS 107 N 1.30 3.61 0.24 1.70 2.20 -0.73 -2.04 119.74 126.02 1xx9 s LYS 107 Ca 0.00 0.10 -0.30 0.00 -0.36 0.00 0.00 55.97 55.42 1xx9 s LYS 107 Cb -0.16 -3.86 -0.09 0.00 -1.51 0.00 0.00 37.83 32.21 1xx9 s LYS 107 CO -0.06 -0.93 1.17 -0.51 -0.36 0.00 0.00 175.35 174.66 1xx9 s LEU 108 N 3.10 4.49 0.22 5.43 1.43 0.61 0.31 118.68 134.27 1xx9 s LEU 108 Ca 0.29 2.30 -0.08 0.00 -1.03 0.00 0.00 54.13 55.62 1xx9 s LEU 108 Cb -0.13 -3.62 0.33 0.00 0.03 0.00 0.00 46.19 42.80 1xx9 s LEU 108 CO 0.19 -0.30 1.75 -0.08 0.23 0.00 0.00 176.35 178.14 1xx9 h GLU 109 N 4.44 0.46 -5.34 1.70 4.57 -0.48 -3.43 114.58 116.50 1xx9 h GLU 109 Ca -0.46 -0.03 -0.62 0.00 -1.18 0.00 0.00 59.36 57.07 1xx9 h GLU 109 Cb 1.21 -0.10 -0.13 0.00 -0.16 0.00 0.00 28.75 29.57 1xx9 h GLU 109 CO 0.70 0.31 -0.56 0.95 -1.18 0.00 0.00 179.01 179.23 1xx9 s THR 110 N -6.07 1.38 0.13 0.32 -4.23 -1.26 -4.97 115.64 100.94 1xx9 s THR 110 Ca -0.13 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.30 1xx9 s THR 110 Cb 0.18 -2.54 -0.06 0.00 1.34 0.00 0.00 72.50 71.42 1xx9 s THR 110 CO 0.75 0.00 0.44 -0.89 -0.54 0.00 0.00 174.62 174.38 1xx9 s THR 111 N -2.91 5.06 -0.10 3.99 2.01 -1.26 -4.71 115.64 117.72 1xx9 s THR 111 Ca 0.21 0.36 -0.23 0.00 0.31 0.00 0.00 61.69 62.34 1xx9 s THR 111 Cb 0.05 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1xx9 s THR 111 CO 0.11 0.14 0.71 -0.69 -0.69 0.00 0.00 174.62 174.20 1xx9 s VAL 112 N -1.56 5.02 -0.44 3.82 1.01 0.13 -5.01 120.40 123.36 1xx9 s VAL 112 Ca 0.39 1.44 -0.23 0.00 0.00 0.00 0.00 61.98 63.57 1xx9 s VAL 112 Cb -0.13 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.23 1xx9 s VAL 112 CO 0.21 0.20 0.79 0.20 0.00 0.00 0.00 175.10 176.50 1xx9 s ASN 113 N 0.91 6.44 0.28 3.32 0.01 -1.26 -4.86 114.94 119.78 1xx9 s ASN 113 Ca 0.36 -0.03 -0.30 0.00 -0.71 0.00 0.00 52.86 52.19 1xx9 s ASN 113 Cb -0.17 -2.39 -0.10 0.00 0.41 0.00 0.00 41.25 38.99 1xx9 s ASN 113 CO 0.16 -0.90 1.46 -0.31 -1.51 0.00 0.00 177.10 176.00 1xx9 s TYR 114 N 3.30 2.92 0.31 2.20 2.02 -1.25 -4.76 117.35 122.08 1xx9 s TYR 114 Ca 0.31 1.03 -0.08 0.00 -0.37 0.00 0.00 57.07 57.96 1xx9 s TYR 114 Cb -0.12 -3.88 0.03 0.00 -0.40 0.00 0.00 41.96 37.59 1xx9 s TYR 114 CO 0.22 -2.80 0.54 0.25 -1.57 0.00 0.00 175.55 172.19 1xx9 n THR 115 N 1.95 0.00 0.24 -0.71 -2.24 -0.32 -4.95 114.28 108.25 1xx9 n THR 115 Ca 0.06 -1.08 0.12 0.00 -2.27 0.00 0.00 64.05 60.88 1xx9 n THR 115 Cb 0.40 0.84 0.59 0.00 -2.10 0.00 0.00 70.33 70.06 1xx9 n THR 115 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1xx9 h ASP 116 N 1.61 0.00 -0.01 3.42 3.32 -1.98 -1.92 116.42 120.87 1xx9 h ASP 116 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1xx9 h ASP 116 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1xx9 h ASP 116 CO 0.33 0.00 -0.47 -1.20 -1.72 0.00 0.00 179.24 176.17 1xx9 n SER 117 N -2.31 1.17 -3.46 6.45 7.64 -1.26 -4.65 113.62 117.19 1xx9 n SER 117 Ca -0.00 -1.08 -0.27 0.00 1.01 0.00 0.00 58.87 58.53 1xx9 n SER 117 Cb 0.10 0.70 -0.12 0.00 -1.01 0.00 0.00 64.21 63.88 1xx9 n SER 117 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1xx9 s GLN 118 N -2.05 0.46 0.04 1.43 -0.21 -0.72 -2.90 119.66 115.72 1xx9 s GLN 118 Ca 0.09 -0.99 -0.01 0.00 0.02 0.00 0.00 55.36 54.47 1xx9 s GLN 118 Cb 0.12 -1.14 -0.04 0.00 1.00 0.00 0.00 33.01 32.95 1xx9 s GLN 118 CO 0.47 -1.15 -0.03 1.03 -2.12 0.00 0.00 175.29 173.49 1xx9 s ARG 119 N 1.46 0.55 0.27 2.91 0.52 -0.87 -1.18 118.95 122.61 1xx9 s ARG 119 Ca 0.15 -1.09 -0.16 0.00 -0.52 0.00 0.00 55.73 54.11 1xx9 s ARG 119 Cb -0.20 0.19 -0.08 0.00 0.52 0.00 0.00 34.95 35.38 1xx9 s ARG 119 CO -0.11 -0.10 0.71 -1.25 0.02 0.00 0.00 175.30 174.57 1xx9 s PRO 121 N -3.40 4.08 0.12 3.54 0.04 -1.26 -3.20 135.00 134.93 1xx9 s PRO 121 Ca 0.02 0.71 -0.09 0.00 0.04 0.00 0.00 61.00 61.69 1xx9 s PRO 121 Cb 0.04 -2.64 -0.06 0.00 0.04 0.00 0.00 34.50 31.89 1xx9 s PRO 121 CO -0.08 0.27 0.42 -1.50 0.04 0.00 0.00 177.00 176.15 1xx9 s ILE 122 N -1.78 5.08 0.39 0.56 2.07 -0.66 -4.94 121.20 121.92 1xx9 s ILE 122 Ca 0.49 0.38 -0.24 0.00 -1.41 0.00 0.00 60.65 59.87 1xx9 s ILE 122 Cb -0.13 -3.64 -0.10 0.00 0.13 0.00 0.00 42.46 38.72 1xx9 s ILE 122 CO 0.19 0.18 1.00 0.00 -1.91 0.00 0.00 174.94 174.40 1xx9 s LEU 124 N -2.64 3.19 0.57 0.00 1.43 -1.26 -0.40 118.68 119.56 1xx9 s LEU 124 Ca 0.57 1.27 -0.20 0.00 -1.03 0.00 0.00 54.13 54.74 1xx9 s LEU 124 Cb -0.18 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 1xx9 s LEU 124 CO 0.23 -0.96 1.23 -2.84 0.23 0.00 0.00 176.35 174.24 1xx9 s PRO 125 N -5.17 3.11 -0.29 1.29 0.02 -1.26 -4.72 135.00 127.98 1xx9 s PRO 125 Ca 0.55 1.90 -0.28 0.00 0.02 0.00 0.00 61.00 63.19 1xx9 s PRO 125 Cb -0.11 -2.06 0.01 0.00 0.02 0.00 0.00 34.50 32.36 1xx9 s PRO 125 CO 0.52 -1.11 1.02 0.45 -0.33 0.00 0.00 177.00 177.55 1xx9 s SER 126 N -1.43 6.94 0.00 2.53 0.15 -1.26 -4.86 113.70 115.77 1xx9 s SER 126 Ca 0.74 1.09 0.00 0.00 0.70 0.00 0.00 55.95 58.49 1xx9 s SER 126 Cb -0.32 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 1xx9 s SER 126 CO 0.36 -0.78 0.71 1.17 1.20 0.00 0.00 173.24 175.90 1xx9 n LYS 127 N 6.61 0.00 0.30 5.44 4.81 -1.26 -5.09 118.16 128.97 1xx9 n LYS 127 Ca 0.11 0.25 -0.12 0.00 -0.87 0.00 0.00 58.31 57.68 1xx9 n LYS 127 Cb 0.47 -1.66 -0.06 0.00 0.02 0.00 0.00 35.03 33.81 1xx9 n LYS 127 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1xx9 h GLY 128 N 0.00 -0.82 -5.85 3.14 0.00 -1.99 -3.52 103.07 94.03 1xx9 h GLY 128 Ca 0.00 0.30 0.15 0.00 0.00 0.00 0.00 47.33 47.79 1xx9 h GLY 128 CO 0.00 -0.30 0.73 -0.19 0.00 0.00 0.00 176.54 176.78 1xx9 s TYR 133 N -4.23 -0.20 0.00 5.60 2.02 -1.26 -5.23 117.35 114.06 1xx9 s TYR 133 Ca -0.11 0.47 0.00 0.00 -0.37 0.00 0.00 57.07 57.05 1xx9 s TYR 133 Cb 0.01 0.41 0.00 0.00 -0.40 0.00 0.00 41.96 41.98 1xx9 s TYR 133 CO 0.34 -0.09 0.00 0.25 -1.57 0.00 0.00 175.55 174.48 1xx9 n THR 134 N 1.96 0.00 -3.75 -0.71 -2.24 -1.26 -4.63 114.28 103.65 1xx9 n THR 134 Ca -0.12 -0.32 -0.28 0.00 -2.27 0.00 0.00 64.05 61.06 1xx9 n THR 134 Cb 0.57 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.69 1xx9 n THR 134 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xx9 n ASP 135 N -0.64 3.31 -4.39 3.42 2.03 -1.26 -4.98 116.55 114.04 1xx9 n ASP 135 Ca 0.00 -3.28 -0.33 0.00 0.52 0.00 0.00 54.79 51.70 1xx9 n ASP 135 Cb 0.00 -0.75 -0.14 0.00 -0.72 0.00 0.00 41.12 39.51 1xx9 n ASP 135 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xx9 s TRP 137 N -0.01 1.30 -0.05 0.00 0.52 0.92 -1.48 118.94 120.14 1xx9 s TRP 137 Ca -0.04 -0.34 0.05 0.00 0.02 0.00 0.00 56.10 55.79 1xx9 s TRP 137 Cb -0.14 -0.78 -0.02 0.00 -1.15 0.00 0.00 33.47 31.38 1xx9 s TRP 137 CO 0.04 0.04 -0.19 0.54 0.02 0.00 0.00 176.95 177.39 1xx9 s VAL 138 N -0.79 2.60 0.09 4.03 0.11 -0.75 -1.71 120.40 123.98 1xx9 s VAL 138 Ca 0.03 -0.89 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 1xx9 s VAL 138 Cb -0.08 -1.98 -0.04 0.00 -1.53 0.00 0.00 36.38 32.75 1xx9 s VAL 138 CO 0.01 0.58 -0.07 0.42 -3.33 0.00 0.00 175.10 172.72 1xx9 s THR 139 N -0.55 0.65 0.00 5.04 -4.23 -1.24 -2.26 115.64 113.04 1xx9 s THR 139 Ca 0.08 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1xx9 s THR 139 Cb -0.11 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.23 1xx9 s THR 139 CO 0.01 -0.80 0.00 0.61 -0.54 0.00 0.00 174.62 173.90 1xx9 n GLY 140 N 0.21 -0.80 1.08 3.99 0.00 -0.67 -4.56 105.19 104.44 1xx9 n GLY 140 Ca -0.14 -1.29 0.08 0.00 0.00 0.00 0.00 46.02 44.68 1xx9 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xx9 n TRP 141 N -0.91 1.15 -0.35 1.61 8.01 -1.26 -0.85 117.44 124.83 1xx9 n TRP 141 Ca 0.00 -0.84 -0.12 0.00 -1.31 0.00 0.00 57.50 55.24 1xx9 n TRP 141 Cb 0.00 -0.34 0.11 0.00 -2.01 0.00 0.00 31.31 29.06 1xx9 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xx9 n GLY 142 N -0.25 -3.29 3.79 6.99 0.00 -1.26 -1.17 105.19 110.01 1xx9 n GLY 142 Ca 0.22 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 1xx9 n GLY 142 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xx9 s TYR 143 N -1.57 3.00 -2.11 1.61 1.51 0.68 -3.26 117.35 117.21 1xx9 s TYR 143 Ca 0.26 1.58 0.28 0.00 -1.01 0.00 0.00 57.07 58.19 1xx9 s TYR 143 Cb -0.04 -3.17 1.11 0.00 -0.11 0.00 0.00 41.96 39.76 1xx9 s TYR 143 CO 0.21 -0.99 1.78 0.54 -1.11 0.00 0.00 175.55 175.98 1xx9 n ARG 144 N -0.69 1.21 -3.03 -0.62 1.74 -1.25 -2.52 116.66 111.50 1xx9 n ARG 144 Ca 0.08 -0.60 0.00 0.00 -0.77 0.00 0.00 57.85 56.56 1xx9 n ARG 144 Cb 0.51 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1xx9 n ARG 144 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1xx9 n LYS 145 N -0.37 -1.49 -3.45 5.56 2.85 -1.26 -4.46 118.16 115.54 1xx9 n LYS 145 Ca 0.17 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 57.07 1xx9 n LYS 145 Cb 0.31 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.63 1xx9 n LYS 145 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1xx9 s LEU 146 N 0.00 4.42 -0.17 -5.58 2.96 -1.26 -3.80 118.68 115.25 1xx9 s LEU 146 Ca 0.00 0.99 0.00 0.00 -0.22 0.00 0.00 54.13 54.90 1xx9 s LEU 146 Cb 0.00 -2.90 0.00 0.00 0.50 0.00 0.00 46.19 43.79 1xx9 s LEU 146 CO 0.00 0.23 0.00 -1.14 -1.32 0.00 0.00 176.35 174.12 1xx9 n ARG 148 N 1.33 -0.13 0.00 1.98 0.63 -1.26 -5.03 116.66 114.17 1xx9 n ARG 148 Ca -0.10 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1xx9 n ARG 148 Cb 0.52 -3.93 0.00 0.00 0.45 0.00 0.00 32.46 29.50 1xx9 n ARG 148 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1xx9 n ASP 149 N 1.69 0.00 -3.78 6.15 2.03 -1.25 -5.16 116.55 116.23 1xx9 n ASP 149 Ca -0.02 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.18 1xx9 n ASP 149 Cb 0.27 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.60 1xx9 n ASP 149 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1xx9 s LYS 150 N 3.72 0.81 0.15 -0.67 -2.85 -1.26 -5.07 119.74 114.57 1xx9 s LYS 150 Ca 0.00 -0.63 -0.34 0.00 -1.00 0.00 0.00 55.97 54.00 1xx9 s LYS 150 Cb 0.00 0.35 -0.15 0.00 -2.06 0.00 0.00 37.83 35.97 1xx9 s LYS 150 CO 0.00 -0.26 1.42 1.51 0.10 0.00 0.00 175.35 178.12 1xx9 n ILE 151 N 0.42 0.24 -2.17 3.79 3.06 -1.26 -4.53 119.36 118.89 1xx9 n ILE 151 Ca -0.18 -0.06 -0.32 0.00 -2.50 0.00 0.00 62.75 59.69 1xx9 n ILE 151 Cb 0.60 -1.19 -0.01 0.00 0.54 0.00 0.00 39.64 39.58 1xx9 n ILE 151 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 1xx9 s GLN 152 N 0.43 3.67 -0.16 9.51 -1.52 -0.32 -5.00 119.66 126.27 1xx9 s GLN 152 Ca 0.79 0.99 -0.25 0.00 -1.95 0.00 0.00 55.36 54.93 1xx9 s GLN 152 Cb -0.79 -2.09 -0.22 0.00 -0.22 0.00 0.00 33.01 29.69 1xx9 s GLN 152 CO 0.44 -0.51 0.53 -0.97 -0.25 0.00 0.00 175.29 174.54 1xx9 h ASN 153 N 0.50 0.00 -3.35 5.90 -1.24 -1.92 -3.44 115.58 112.04 1xx9 h ASN 153 Ca -0.46 -0.77 -0.57 0.00 0.71 0.00 0.00 56.30 55.21 1xx9 h ASN 153 Cb 1.20 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.17 1xx9 h ASN 153 CO 0.60 1.14 -0.05 -0.89 -1.29 0.00 0.00 177.43 176.94 1xx9 s THR 154 N -2.24 5.13 0.20 -3.57 2.01 -1.26 0.80 115.64 116.71 1xx9 s THR 154 Ca -0.21 1.12 -0.32 0.00 0.31 0.00 0.00 61.69 62.59 1xx9 s THR 154 Cb 0.00 -3.90 -0.15 0.00 0.01 0.00 0.00 72.50 68.47 1xx9 s THR 154 CO 0.62 0.29 1.22 -0.11 -0.69 0.00 0.00 174.62 175.94 1xx9 n LEU 155 N 3.81 1.98 -4.69 4.42 7.94 -0.98 -4.82 117.00 124.66 1xx9 n LEU 155 Ca -0.05 1.14 -0.25 0.00 -1.11 0.00 0.00 56.01 55.75 1xx9 n LEU 155 Cb 0.51 -1.28 -0.07 0.00 0.53 0.00 0.00 43.42 43.11 1xx9 n LEU 155 CO 0.44 -1.09 -0.30 -1.58 -1.11 0.00 0.00 177.39 173.76 1xx9 s GLN 156 N -0.48 2.49 0.03 1.96 2.00 -0.03 -1.02 119.66 124.60 1xx9 s GLN 156 Ca 0.71 -1.15 -0.02 0.00 -2.00 0.00 0.00 55.36 52.89 1xx9 s GLN 156 Cb -0.78 -2.36 -0.02 0.00 0.80 0.00 0.00 33.01 30.64 1xx9 s GLN 156 CO 0.52 0.43 0.02 -1.59 -0.50 0.00 0.00 175.29 174.17 1xx9 s LYS 157 N -3.23 0.44 -0.24 1.67 -2.85 -0.31 -1.66 119.74 113.56 1xx9 s LYS 157 Ca 0.29 -0.72 -0.18 0.00 -1.00 0.00 0.00 55.97 54.37 1xx9 s LYS 157 Cb -0.09 0.16 0.07 0.00 -2.06 0.00 0.00 37.83 35.92 1xx9 s LYS 157 CO 0.20 -0.09 0.60 0.00 0.10 0.00 0.00 175.35 176.17 1xx9 s ALA 158 N -2.11 -1.55 -0.05 0.59 0.00 -0.96 0.08 121.76 117.75 1xx9 s ALA 158 Ca -0.10 1.92 -0.26 0.00 0.00 0.00 0.00 51.96 53.52 1xx9 s ALA 158 Cb -0.05 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1xx9 s ALA 158 CO -0.03 -0.31 0.79 0.21 0.00 0.00 0.00 175.76 176.42 1xx9 s LYS 159 N 0.90 4.47 -0.02 0.00 2.20 -1.26 -1.82 119.74 124.21 1xx9 s LYS 159 Ca -0.05 1.05 0.02 0.00 -0.36 0.00 0.00 55.97 56.64 1xx9 s LYS 159 Cb -0.05 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 1xx9 s LYS 159 CO -0.08 0.01 -0.09 0.42 -0.36 0.00 0.00 175.35 175.25 1xx9 s ILE 160 N 0.94 0.74 0.32 5.43 -1.09 -0.55 -4.98 121.20 122.00 1xx9 s ILE 160 Ca 0.42 -0.34 -0.18 0.00 -2.23 0.00 0.00 60.65 58.31 1xx9 s ILE 160 Cb -0.19 -0.66 -0.09 0.00 -1.58 0.00 0.00 42.46 39.95 1xx9 s ILE 160 CO 0.21 0.23 0.79 -2.16 -1.23 0.00 0.00 174.94 172.78 1xx9 s PRO 161 N 0.15 4.17 0.57 2.79 0.04 -1.26 -4.34 135.00 137.12 1xx9 s PRO 161 Ca -0.02 0.87 -0.16 0.00 0.04 0.00 0.00 61.00 61.73 1xx9 s PRO 161 Cb -0.08 -2.54 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 1xx9 s PRO 161 CO 0.00 0.20 1.04 -0.51 0.04 0.00 0.00 177.00 177.76 1xx9 s LEU 162 N -2.67 3.52 -0.05 -3.56 1.43 -1.26 -1.67 118.68 114.43 1xx9 s LEU 162 Ca 0.52 1.73 0.05 0.00 -1.03 0.00 0.00 54.13 55.40 1xx9 s LEU 162 Cb -0.12 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.57 1xx9 s LEU 162 CO 0.18 -0.99 -0.21 -0.69 0.23 0.00 0.00 176.35 174.87 1xx9 s VAL 163 N -2.53 1.72 0.60 -1.59 1.01 0.48 -4.82 120.40 115.27 1xx9 s VAL 163 Ca 0.62 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1xx9 s VAL 163 Cb -0.14 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1xx9 s VAL 163 CO 0.36 0.48 1.13 0.42 0.00 0.00 0.00 175.10 177.50 1xx9 s THR 164 N -0.06 3.12 0.17 3.92 -4.23 -1.26 -4.05 115.64 113.24 1xx9 s THR 164 Ca -0.04 0.62 -0.16 0.00 -1.18 0.00 0.00 61.69 60.93 1xx9 s THR 164 Cb -0.12 -3.18 0.07 0.00 1.34 0.00 0.00 72.50 70.61 1xx9 s THR 164 CO 0.03 -0.23 1.70 0.78 -0.54 0.00 0.00 174.62 176.36 1xx9 h ASN 165 N 0.66 -0.18 -0.37 3.99 4.21 -1.95 0.22 115.58 122.15 1xx9 h ASN 165 Ca -0.49 0.09 0.08 0.00 1.21 0.00 0.00 56.30 57.20 1xx9 h ASN 165 Cb 1.26 0.17 -0.08 0.00 -1.12 0.00 0.00 38.32 38.55 1xx9 h ASN 165 CO 0.55 -0.05 -0.21 -0.33 -1.29 0.00 0.00 177.43 176.10 1xx9 h GLU 166 N 0.10 -0.15 -0.91 0.81 4.39 -1.96 0.14 114.58 117.00 1xx9 h GLU 166 Ca 0.20 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 1xx9 h GLU 166 Cb 0.28 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1xx9 h GLU 166 CO -0.33 -0.10 0.51 0.93 -1.16 0.00 0.00 179.01 178.86 1xx9 h GLU 167 N -0.15 1.26 -0.27 2.33 5.08 -1.64 -2.62 114.58 118.57 1xx9 h GLU 167 Ca 0.18 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1xx9 h GLU 167 Cb 0.44 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1xx9 h GLU 167 CO -0.47 0.91 -0.14 0.00 -1.00 0.00 0.00 179.01 178.32 1xx9 h GLN 169 N 0.29 0.00 -0.03 0.00 5.75 -0.71 -1.50 115.11 118.92 1xx9 h GLN 169 Ca 0.06 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.44 1xx9 h GLN 169 Cb 0.65 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 1xx9 h GLN 169 CO 0.04 0.05 -0.51 -0.22 -2.65 0.00 0.00 178.83 175.54 1xx9 h LYS 170 N 0.00 0.08 -0.12 1.69 3.64 -1.20 -2.57 116.57 118.08 1xx9 h LYS 170 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1xx9 h LYS 170 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1xx9 h LYS 170 CO 0.01 0.58 0.00 0.54 -2.27 0.00 0.00 179.45 178.30 1xx9 n ARG 171 N -3.93 2.00 -2.72 1.90 1.74 -0.60 -4.20 116.66 110.84 1xx9 n ARG 171 Ca -0.02 -1.47 -0.10 0.00 -0.77 0.00 0.00 57.85 55.50 1xx9 n ARG 171 Cb 0.54 -1.46 0.03 0.00 -1.02 0.00 0.00 32.46 30.55 1xx9 n ARG 171 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1xx9 n TYR 172 N 0.74 0.60 0.18 -1.55 4.02 -0.96 -4.85 117.16 115.34 1xx9 n TYR 172 Ca 0.17 -2.79 0.09 0.00 -0.01 0.00 0.00 57.90 55.36 1xx9 n TYR 172 Cb 0.45 -0.14 0.45 0.00 -0.02 0.00 0.00 39.34 40.09 1xx9 n TYR 172 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1xx9 n ARG 173 N -0.08 0.12 -0.01 -0.72 0.00 -0.99 -0.74 116.66 114.24 1xx9 n ARG 173 Ca 0.09 0.57 0.14 0.00 -0.00 0.00 0.00 57.85 58.65 1xx9 n ARG 173 Cb 0.81 -1.84 0.61 0.00 0.00 0.00 0.00 32.46 32.03 1xx9 n ARG 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xx9 n GLY 173 N -1.09 -0.23 3.32 5.14 0.00 -1.26 -4.89 105.19 106.19 1xx9 n GLY 173 Ca -0.00 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 1xx9 n GLY 173 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xx9 s HIS 174 N -1.98 1.54 -0.45 1.61 3.76 0.08 -5.12 115.29 114.73 1xx9 s HIS 174 Ca 0.39 -0.84 -0.16 0.00 -0.15 0.00 0.00 55.06 54.30 1xx9 s HIS 174 Cb 0.21 -0.86 0.05 0.00 1.11 0.00 0.00 32.58 33.08 1xx9 s HIS 174 CO 0.33 0.04 0.41 0.15 -0.85 0.00 0.00 174.74 174.83 1xx9 s LYS 175 N -3.81 3.02 -0.58 1.40 1.02 -1.26 -4.95 119.74 114.58 1xx9 s LYS 175 Ca 0.25 -1.08 -0.18 0.00 0.02 0.00 0.00 55.97 54.98 1xx9 s LYS 175 Cb 0.04 -4.06 0.11 0.00 -0.52 0.00 0.00 37.83 33.41 1xx9 s LYS 175 CO 0.07 -0.95 0.66 0.42 -0.92 0.00 0.00 175.35 174.63 1xx9 s ILE 176 N 1.89 4.90 0.87 2.17 -1.09 -1.26 -4.91 121.20 123.77 1xx9 s ILE 176 Ca 0.07 -1.09 -0.12 0.00 -2.23 0.00 0.00 60.65 57.29 1xx9 s ILE 176 Cb -0.21 -4.46 0.15 0.00 -1.58 0.00 0.00 42.46 36.37 1xx9 s ILE 176 CO 0.10 -1.07 1.22 0.42 -1.23 0.00 0.00 174.94 174.38 1xx9 s THR 177 N 2.47 2.05 -0.52 2.92 -4.23 -1.26 -4.90 115.64 112.17 1xx9 s THR 177 Ca 0.10 -0.11 0.24 0.00 -1.18 0.00 0.00 61.69 60.74 1xx9 s THR 177 Cb -0.25 -2.94 0.26 0.00 1.34 0.00 0.00 72.50 70.90 1xx9 s THR 177 CO 0.06 0.00 1.73 1.57 -0.54 0.00 0.00 174.62 177.43 1xx9 n HIS 178 N -3.47 0.84 1.58 3.99 -0.00 -1.26 -2.09 115.22 114.81 1xx9 n HIS 178 Ca 0.13 0.31 0.14 0.00 0.46 0.00 0.00 57.72 58.77 1xx9 n HIS 178 Cb 0.60 -1.01 0.64 0.00 -0.12 0.00 0.00 29.99 30.10 1xx9 n HIS 178 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1xx9 n LYS 179 N -2.25 1.18 -4.35 1.57 4.76 -1.26 -4.87 118.16 112.93 1xx9 n LYS 179 Ca 0.03 -0.49 -0.23 0.00 -2.87 0.00 0.00 58.31 54.74 1xx9 n LYS 179 Cb 0.26 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 31.88 1xx9 n LYS 179 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1xx9 s MET 180 N -2.16 2.07 -0.09 1.97 -1.94 -0.89 -0.63 119.30 117.63 1xx9 s MET 180 Ca 0.37 -1.56 -0.05 0.00 -1.71 0.00 0.00 55.69 52.73 1xx9 s MET 180 Cb 0.21 -2.01 0.04 0.00 2.01 0.00 0.00 34.83 35.08 1xx9 s MET 180 CO 0.40 0.33 0.22 -1.50 -0.01 0.00 0.00 175.02 174.46 1xx9 s ILE 181 N -2.40 -0.03 0.06 2.53 2.07 0.08 -4.65 121.20 118.85 1xx9 s ILE 181 Ca 0.31 0.13 0.04 0.00 -1.41 0.00 0.00 60.65 59.72 1xx9 s ILE 181 Cb -0.05 -0.34 -0.04 0.00 0.13 0.00 0.00 42.46 42.16 1xx9 s ILE 181 CO 0.18 0.05 -0.02 0.00 -1.91 0.00 0.00 174.94 173.25 1xx9 s ALA 183 N -1.21 -0.14 0.00 0.00 0.00 -0.03 -0.38 121.76 119.98 1xx9 s ALA 183 Ca 0.23 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1xx9 s ALA 183 Cb -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1xx9 s ALA 183 CO 0.15 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1xx9 n GLY 184 N 3.95 0.82 3.84 0.00 0.00 -0.67 -0.36 105.19 112.78 1xx9 n GLY 184 Ca -0.24 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 1xx9 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xx9 s TYR 184 N -2.00 3.56 0.54 1.61 2.02 -1.26 -4.40 117.35 117.43 1xx9 s TYR 184 Ca 0.00 0.52 0.34 0.00 -0.37 0.00 0.00 57.07 57.55 1xx9 s TYR 184 Cb 0.00 -2.02 1.51 0.00 -0.40 0.00 0.00 41.96 41.05 1xx9 s TYR 184 CO 0.00 0.62 1.86 -0.09 -1.57 0.00 0.00 175.55 176.37 1xx9 h ARG 185 N 5.37 0.00 -0.02 -0.62 2.43 -1.96 0.52 114.38 120.10 1xx9 h ARG 185 Ca -0.51 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1xx9 h ARG 185 Cb 1.21 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1xx9 h ARG 185 CO 0.63 0.00 -0.14 0.39 -1.51 0.00 0.00 179.97 179.34 1xx9 n GLU 186 N -4.23 1.86 0.00 0.20 4.71 -1.24 -3.77 120.64 118.16 1xx9 n GLU 186 Ca 0.21 -1.47 0.00 0.00 -0.01 0.00 0.00 57.16 55.90 1xx9 n GLU 186 Cb 1.07 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 30.03 1xx9 n GLU 186 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xx9 n GLY 187 N 1.34 -0.68 0.91 0.62 0.00 0.18 -4.25 105.19 103.31 1xx9 n GLY 187 Ca 0.13 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1xx9 n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xx9 n GLY 188 N 0.00 2.64 3.15 -0.02 0.00 -0.68 -4.64 105.19 105.64 1xx9 n GLY 188 Ca 0.00 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 1xx9 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xx9 s LYS 188 N 0.00 2.15 0.00 1.61 1.02 -1.26 -3.51 119.74 119.75 1xx9 s LYS 188 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.32 1xx9 s LYS 188 Cb 0.00 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.54 1xx9 s LYS 188 CO 0.00 0.21 0.00 -3.47 -0.92 0.00 0.00 175.35 171.17 1xx9 n ASP 189 N 3.33 0.00 -4.88 2.83 2.03 -0.70 -4.55 116.55 114.62 1xx9 n ASP 189 Ca -0.19 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.82 1xx9 n ASP 189 Cb 0.53 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.91 1xx9 n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xx9 s ALA 190 N -2.00 3.28 0.03 -1.67 0.00 -1.26 -0.88 121.76 119.26 1xx9 s ALA 190 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1xx9 s ALA 190 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1xx9 s ALA 190 CO 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 175.76 175.53 1xx9 n LYS 192 N -0.05 1.42 0.00 0.00 4.81 -1.26 -1.47 118.16 121.61 1xx9 n LYS 192 Ca 0.00 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1xx9 n LYS 192 Cb 0.05 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 32.69 1xx9 n LYS 192 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xx9 n GLY 193 N 5.19 1.56 0.05 3.14 0.00 -1.26 -0.23 105.19 113.63 1xx9 n GLY 193 Ca 0.31 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.45 1xx9 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xx9 n ASP 194 N 0.00 0.64 -4.27 1.61 8.00 -0.54 -4.07 116.55 117.92 1xx9 n ASP 194 Ca 0.00 -0.06 -0.38 0.00 0.71 0.00 0.00 54.79 55.05 1xx9 n ASP 194 Cb 0.00 0.57 0.02 0.00 -0.02 0.00 0.00 41.12 41.69 1xx9 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1xx9 n SER 195 N -2.05 -3.34 0.00 -2.24 7.64 -1.26 0.31 113.62 112.67 1xx9 n SER 195 Ca 0.02 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1xx9 n SER 195 Cb 0.44 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1xx9 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xx9 n GLY 196 N 2.44 2.42 3.66 0.23 0.00 -0.93 0.76 105.19 113.76 1xx9 n GLY 196 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1xx9 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xx9 n GLY 197 N -1.42 -0.22 3.90 -0.02 0.00 0.15 -2.99 105.19 104.59 1xx9 n GLY 197 Ca 0.00 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 1xx9 n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xx9 s PRO 198 N -3.82 3.65 -0.74 1.61 0.04 -1.26 -0.99 135.00 133.49 1xx9 s PRO 198 Ca 0.73 0.05 0.04 0.00 0.04 0.00 0.00 61.00 61.86 1xx9 s PRO 198 Cb -0.31 -2.63 0.18 0.00 0.04 0.00 0.00 34.50 31.79 1xx9 s PRO 198 CO 0.51 0.20 0.56 -0.11 0.04 0.00 0.00 177.00 178.20 1xx9 n LEU 198 N -0.92 3.28 -4.75 -3.56 7.94 -0.43 -3.66 117.00 114.90 1xx9 n LEU 198 Ca -0.01 -5.21 -0.41 0.00 -1.11 0.00 0.00 56.01 49.27 1xx9 n LEU 198 Cb 0.54 -0.82 -0.04 0.00 0.53 0.00 0.00 43.42 43.63 1xx9 n LEU 198 CO 0.48 1.73 0.78 -0.94 -1.11 0.00 0.00 177.39 178.33 1xx9 s SER 198 N -1.28 7.31 -0.08 1.96 1.04 -0.69 -2.97 113.70 118.98 1xx9 s SER 198 Ca 0.26 2.15 0.02 0.00 0.48 0.00 0.00 55.95 58.86 1xx9 s SER 198 Cb -0.04 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.48 1xx9 s SER 198 CO -0.16 -0.14 -0.14 0.00 0.98 0.00 0.00 173.24 173.77 1xx9 s LYS 202 N 0.75 3.39 -0.31 0.00 2.20 0.15 -1.55 119.74 124.38 1xx9 s LYS 202 Ca -0.12 -0.06 0.03 0.00 -0.36 0.00 0.00 55.97 55.46 1xx9 s LYS 202 Cb -0.16 -4.05 0.08 0.00 -1.51 0.00 0.00 37.83 32.19 1xx9 s LYS 202 CO 0.03 -1.63 -0.02 -1.58 -0.36 0.00 0.00 175.35 171.79 1xx9 s HIS 202 N 4.52 3.54 -0.51 4.03 2.46 -0.09 -4.50 115.29 124.73 1xx9 s HIS 202 Ca 0.36 -2.68 -0.01 0.00 0.47 0.00 0.00 55.06 53.20 1xx9 s HIS 202 Cb -0.10 -2.49 0.00 0.00 -0.13 0.00 0.00 32.58 29.86 1xx9 s HIS 202 CO 0.21 -0.92 0.19 0.09 -2.47 0.00 0.00 174.74 171.84 1xx9 n ASN 202 N 4.34 -3.01 0.00 9.88 5.03 -1.26 -3.12 115.26 127.13 1xx9 n ASN 202 Ca -0.04 -0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.32 1xx9 n ASN 202 Cb 0.42 -1.96 0.00 0.00 -1.02 0.00 0.00 39.78 37.22 1xx9 n ASN 202 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1xx9 n GLU 202 N -1.81 0.00 -4.74 3.52 -0.58 -1.26 -5.01 120.64 110.76 1xx9 n GLU 202 Ca -0.04 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.39 1xx9 n GLU 202 Cb 0.54 -2.60 -0.17 0.00 -0.57 0.00 0.00 31.44 28.64 1xx9 n GLU 202 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1xx9 s VAL 202 N -3.35 1.82 0.03 2.62 1.01 -1.18 -5.11 120.40 116.24 1xx9 s VAL 202 Ca 0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 1xx9 s VAL 202 Cb 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1xx9 s VAL 202 CO 0.00 0.50 1.06 0.26 0.00 0.00 0.00 175.10 176.92 1xx9 s TRP 203 N 0.73 3.59 -0.01 5.22 0.52 -1.26 -0.92 118.94 126.82 1xx9 s TRP 203 Ca -0.11 1.57 0.08 0.00 0.02 0.00 0.00 56.10 57.66 1xx9 s TRP 203 Cb -0.16 -3.22 -0.02 0.00 -1.15 0.00 0.00 33.47 28.91 1xx9 s TRP 203 CO 0.01 -0.45 -0.26 -1.01 0.02 0.00 0.00 176.95 175.27 1xx9 s HIS 204 N 0.95 2.35 -0.99 -1.98 3.76 -0.60 -2.63 115.29 116.16 1xx9 s HIS 204 Ca 0.54 -0.42 -0.20 0.00 -0.15 0.00 0.00 55.06 54.83 1xx9 s HIS 204 Cb -0.24 -1.48 0.11 0.00 1.11 0.00 0.00 32.58 32.08 1xx9 s HIS 204 CO 0.29 0.01 1.26 -1.17 -0.85 0.00 0.00 174.74 174.28 1xx9 s LEU 209 N -0.77 4.56 -0.01 0.89 2.96 0.46 -1.76 118.68 125.02 1xx9 s LEU 209 Ca 0.11 -1.95 -0.20 0.00 -0.22 0.00 0.00 54.13 51.87 1xx9 s LEU 209 Cb -0.10 -2.45 -0.28 0.00 0.50 0.00 0.00 46.19 43.85 1xx9 s LEU 209 CO -0.00 -1.17 1.01 0.58 -1.32 0.00 0.00 176.35 175.44 1xx9 h VAL 210 N 6.03 1.43 -3.33 1.68 2.07 -1.86 -3.39 116.25 118.88 1xx9 h VAL 210 Ca 0.19 -2.36 -0.40 0.00 0.82 0.00 0.00 66.70 64.95 1xx9 h VAL 210 Cb 1.00 2.89 -0.14 0.00 -1.52 0.00 0.00 31.29 33.52 1xx9 h VAL 210 CO 1.22 0.68 -0.62 -0.83 0.02 0.00 0.00 177.57 178.04 1xx9 s GLY 211 N -4.31 1.80 -0.15 2.17 0.00 -1.20 -0.77 107.32 104.87 1xx9 s GLY 211 Ca -0.13 -1.91 -0.01 0.00 0.00 0.00 0.00 44.72 42.68 1xx9 s GLY 211 CO 0.85 -1.69 -0.03 -0.42 0.00 0.00 0.00 173.10 171.81 1xx9 s ILE 212 N -3.51 0.86 -0.33 0.90 1.01 -0.94 -1.31 121.20 117.87 1xx9 s ILE 212 Ca 0.35 -0.43 -0.41 0.00 0.00 0.00 0.00 60.65 60.16 1xx9 s ILE 212 Cb 0.08 -1.07 -0.16 0.00 0.01 0.00 0.00 42.46 41.32 1xx9 s ILE 212 CO 0.13 0.12 1.82 0.41 0.00 0.00 0.00 174.94 177.42 1xx9 n THR 213 N 4.96 0.24 0.02 2.92 -1.04 -0.16 -1.06 114.28 120.15 1xx9 n THR 213 Ca -0.11 -0.07 -0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1xx9 n THR 213 Cb 0.48 -1.14 -0.00 0.00 -1.82 0.00 0.00 70.33 67.85 1xx9 n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1xx9 n SER 214 N 5.97 0.38 -1.99 8.00 2.88 -1.05 -2.19 113.62 125.62 1xx9 n SER 214 Ca 0.31 0.05 -0.05 0.00 -1.33 0.00 0.00 58.87 57.85 1xx9 n SER 214 Cb 0.11 -0.12 0.01 0.00 -0.75 0.00 0.00 64.21 63.46 1xx9 n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1xx9 n TRP 215 N -2.84 -1.72 0.00 0.66 4.27 -0.93 -4.91 117.44 111.97 1xx9 n TRP 215 Ca -0.00 -1.05 0.00 0.00 -3.89 0.00 0.00 57.50 52.56 1xx9 n TRP 215 Cb 0.00 0.50 0.00 0.00 -1.36 0.00 0.00 31.31 30.46 1xx9 n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1xx9 n GLY 216 N -0.30 0.10 3.44 -1.67 0.00 -1.26 0.54 105.19 106.04 1xx9 n GLY 216 Ca -0.05 -0.88 -0.44 0.00 0.00 0.00 0.00 46.02 44.66 1xx9 n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xx9 s GLU 217 N -2.00 3.13 3.70 1.61 2.12 -1.26 -4.89 118.70 121.11 1xx9 s GLU 217 Ca 0.00 -0.89 0.00 0.00 0.36 0.00 0.00 54.97 54.44 1xx9 s GLU 217 Cb 0.00 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 30.24 1xx9 s GLU 217 CO 0.00 -1.44 0.00 0.41 -0.54 0.00 0.00 175.26 173.69 1xx9 n GLY 218 N 5.21 0.56 2.83 -1.50 0.00 -1.26 -4.68 105.19 106.36 1xx9 n GLY 218 Ca -0.06 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 1xx9 n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xx9 n ALA 220 N 3.76 -0.83 -1.95 0.00 0.00 -1.26 -4.94 120.51 115.29 1xx9 n ALA 220 Ca -0.22 0.09 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 1xx9 n ALA 220 Cb 0.54 -1.53 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 1xx9 n ALA 220 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xx9 s GLN 221 N -5.12 3.97 0.00 0.00 -0.21 -1.26 -1.69 119.66 115.35 1xx9 s GLN 221 Ca 0.04 0.84 0.00 0.00 0.02 0.00 0.00 55.36 56.26 1xx9 s GLN 221 Cb -0.02 -2.24 0.00 0.00 1.00 0.00 0.00 33.01 31.75 1xx9 s GLN 221 CO 0.05 -0.11 0.02 0.54 -2.12 0.00 0.00 175.29 173.67 1xx9 n ARG 222 N -1.17 0.00 -2.99 2.91 1.74 -1.26 -2.59 116.66 113.29 1xx9 n ARG 222 Ca 0.05 0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.81 1xx9 n ARG 222 Cb 0.54 -0.07 -0.02 0.00 -1.02 0.00 0.00 32.46 31.88 1xx9 n ARG 222 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1xx9 n GLU 223 N -0.22 3.91 -3.22 5.56 -0.58 -1.25 -2.66 120.64 122.17 1xx9 n GLU 223 Ca 0.00 -4.71 -0.19 0.00 -0.42 0.00 0.00 57.16 51.84 1xx9 n GLU 223 Cb 0.00 -2.36 -0.07 0.00 -0.57 0.00 0.00 31.44 28.44 1xx9 n GLU 223 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1xx9 s ARG 224 N -3.31 0.89 0.76 3.49 1.81 -1.07 -4.83 118.95 116.68 1xx9 s ARG 224 Ca 0.40 -1.59 -0.13 0.00 -1.72 0.00 0.00 55.73 52.69 1xx9 s ARG 224 Cb 0.18 -0.93 0.05 0.00 -0.45 0.00 0.00 34.95 33.80 1xx9 s ARG 224 CO -0.05 -1.33 1.15 -1.25 -0.68 0.00 0.00 175.30 173.13 1xx9 s PRO 225 N 0.54 2.10 0.42 3.54 0.04 -1.26 -4.41 135.00 135.98 1xx9 s PRO 225 Ca 0.29 1.52 -0.22 0.00 0.04 0.00 0.00 61.00 62.63 1xx9 s PRO 225 Cb -0.01 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 1xx9 s PRO 225 CO -0.12 -1.81 1.00 0.20 0.04 0.00 0.00 177.00 176.31 1xx9 s GLY 226 N -2.54 2.58 -0.12 0.56 0.00 0.51 -4.68 107.32 103.63 1xx9 s GLY 226 Ca 0.69 0.56 -0.03 0.00 0.00 0.00 0.00 44.72 45.94 1xx9 s GLY 226 CO 0.49 0.92 -0.01 0.14 0.00 0.00 0.00 173.10 174.64 1xx9 s VAL 227 N -1.90 4.21 0.14 1.40 1.01 0.19 -0.85 120.40 124.60 1xx9 s VAL 227 Ca 0.61 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.38 1xx9 s VAL 227 Cb -0.16 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1xx9 s VAL 227 CO 0.21 0.55 -0.12 -0.31 0.00 0.00 0.00 175.10 175.42 1xx9 s TYR 228 N -0.28 1.33 0.08 5.22 1.51 0.17 -2.18 117.35 123.21 1xx9 s TYR 228 Ca 0.06 -0.65 -0.31 0.00 -1.01 0.00 0.00 57.07 55.16 1xx9 s TYR 228 Cb -0.12 -0.68 -0.07 0.00 -0.11 0.00 0.00 41.96 40.98 1xx9 s TYR 228 CO 0.02 0.12 1.29 0.99 -1.11 0.00 0.00 175.55 176.87 1xx9 s THR 229 N -2.74 3.69 -0.98 -0.71 2.01 -0.23 -0.74 115.64 115.94 1xx9 s THR 229 Ca 0.13 1.21 -0.23 0.00 0.31 0.00 0.00 61.69 63.10 1xx9 s THR 229 Cb -0.01 -3.77 0.05 0.00 0.01 0.00 0.00 72.50 68.77 1xx9 s THR 229 CO 0.02 0.09 1.42 0.21 -0.69 0.00 0.00 174.62 175.67 1xx9 s ASN 230 N 1.11 6.46 0.38 3.53 2.47 0.20 -2.22 114.94 126.88 1xx9 s ASN 230 Ca 0.62 -1.35 0.16 0.00 0.42 0.00 0.00 52.86 52.71 1xx9 s ASN 230 Cb -0.33 -2.56 1.05 0.00 -1.45 0.00 0.00 41.25 37.95 1xx9 s ASN 230 CO 0.29 -1.54 1.77 0.58 -3.72 0.00 0.00 177.10 174.49 1xx9 h VAL 231 N 6.67 0.54 -0.71 -5.21 2.07 -1.21 -2.20 116.25 116.20 1xx9 h VAL 231 Ca 0.14 -0.15 0.14 0.00 0.82 0.00 0.00 66.70 67.64 1xx9 h VAL 231 Cb 1.02 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1xx9 h VAL 231 CO 1.40 0.08 0.48 1.62 0.02 0.00 0.00 177.57 181.17 1xx9 h VAL 232 N 0.45 0.81 0.00 2.57 3.04 -1.84 -1.78 116.25 119.50 1xx9 h VAL 232 Ca 0.60 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 66.15 1xx9 h VAL 232 Cb 1.41 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1xx9 h VAL 232 CO -0.32 0.07 0.00 -0.62 -1.01 0.00 0.00 177.57 175.69 1xx9 n GLU 233 N -4.47 0.11 -0.00 4.17 -0.58 -0.83 -2.55 120.64 116.50 1xx9 n GLU 233 Ca 0.13 0.36 0.04 0.00 -0.42 0.00 0.00 57.16 57.27 1xx9 n GLU 233 Cb 0.50 -1.72 0.03 0.00 -0.57 0.00 0.00 31.44 29.68 1xx9 n GLU 233 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1xx9 n TYR 234 N -1.94 0.00 -0.33 -0.32 4.01 -0.68 -4.79 117.16 113.11 1xx9 n TYR 234 Ca 0.02 -0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.87 1xx9 n TYR 234 Cb 0.20 -0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.44 1xx9 n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1xx9 n VAL 235 N 0.41 -0.39 0.06 -0.72 0.31 -1.05 0.13 118.33 117.07 1xx9 n VAL 235 Ca 0.04 2.08 -0.08 0.00 -0.01 0.00 0.00 64.34 66.38 1xx9 n VAL 235 Cb 0.19 -2.98 0.06 0.00 -0.91 0.00 0.00 33.84 30.20 1xx9 n VAL 235 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1xx9 h ASP 236 N 0.00 0.42 -0.31 4.52 3.32 -1.86 -2.16 116.42 120.35 1xx9 h ASP 236 Ca 0.52 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 1xx9 h ASP 236 Cb 0.97 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1xx9 h ASP 236 CO -0.91 0.96 -0.00 -0.25 -1.72 0.00 0.00 179.24 177.32 1xx9 h TRP 237 N 0.26 0.69 -0.13 4.55 7.01 -0.66 -1.14 115.95 126.53 1xx9 h TRP 237 Ca -0.02 -0.08 -0.03 0.00 2.11 0.00 0.00 58.89 60.87 1xx9 h TRP 237 Cb 1.20 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 28.07 1xx9 h TRP 237 CO 0.04 0.66 -0.05 0.82 -2.79 0.00 0.00 178.44 177.11 1xx9 h ILE 238 N 0.62 1.31 -0.50 2.65 2.04 -0.91 -1.97 117.51 120.75 1xx9 h ILE 238 Ca 0.13 -1.06 0.05 0.00 1.00 0.00 0.00 64.86 64.97 1xx9 h ILE 238 Cb 0.39 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 1xx9 h ILE 238 CO 0.01 0.31 0.24 -0.07 0.00 0.00 0.00 178.15 178.65 1xx9 h LEU 239 N -0.07 0.34 0.07 1.44 3.38 -1.07 -0.87 115.31 118.53 1xx9 h LEU 239 Ca 0.03 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xx9 h LEU 239 Cb 0.50 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1xx9 h LEU 239 CO 0.02 0.24 -0.03 -0.08 0.09 0.00 0.00 178.44 178.67 1xx9 h GLU 240 N 0.48 -0.09 -0.84 1.13 4.22 -1.20 -2.15 114.58 116.13 1xx9 h GLU 240 Ca 0.22 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.69 1xx9 h GLU 240 Cb 0.15 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1xx9 h GLU 240 CO -0.17 0.16 0.55 0.87 -2.18 0.00 0.00 179.01 178.24 1xx9 h LYS 241 N -0.34 1.08 0.00 1.92 1.79 -1.13 -2.23 116.57 117.66 1xx9 h LYS 241 Ca -0.01 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1xx9 h LYS 241 Cb 0.29 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1xx9 h LYS 241 CO 0.02 0.71 -0.09 0.25 -1.08 0.00 0.00 179.45 179.25 1xx9 n THR 242 N -4.52 0.37 0.02 -0.16 -2.24 -0.35 -3.38 114.28 104.02 1xx9 n THR 242 Ca 0.09 -0.19 0.10 0.00 -2.27 0.00 0.00 64.05 61.78 1xx9 n THR 242 Cb 0.04 -0.47 0.21 0.00 -2.10 0.00 0.00 70.33 68.01 1xx9 n THR 242 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xx9 n GLN 243 N -1.99 2.45 -1.96 -0.78 6.02 -0.81 -5.01 117.38 115.30 1xx9 n GLN 243 Ca 0.06 -2.21 -0.32 0.00 -0.01 0.00 0.00 57.00 54.52 1xx9 n GLN 243 Cb 0.40 -1.43 0.01 0.00 1.02 0.00 0.00 30.24 30.24 1xx9 n GLN 243 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xx9 s ALA 244 N -1.17 2.83 -2.00 -1.58 0.00 -0.88 -5.04 121.76 113.93 1xx9 s ALA 244 Ca 0.35 0.20 0.20 0.00 0.00 0.00 0.00 51.96 52.70 1xx9 s ALA 244 Cb 0.19 -3.17 1.17 0.00 0.00 0.00 0.00 23.12 21.31 1xx9 s ALA 244 CO 0.26 -0.80 1.56 1.33 0.00 0.00 0.00 175.76 178.11