#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxf s VAL 17 N 0.00 3.33 -0.02 1.39 0.11 0.12 -3.69 120.40 121.64 1xxf s VAL 17 Ca 0.00 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.47 1xxf s VAL 17 Cb 0.00 -2.40 0.00 0.00 -1.53 0.00 0.00 36.38 32.45 1xxf s VAL 17 CO 0.00 0.54 0.00 0.61 -3.33 0.00 0.00 175.10 172.92 1xxf n GLY 18 N 3.18 0.43 1.67 6.54 0.00 -1.16 -1.02 105.19 114.84 1xxf n GLY 18 Ca -0.18 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 1xxf n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxf n GLY 19 N -2.96 1.57 3.09 -0.02 0.00 -1.26 -4.78 105.19 100.84 1xxf n GLY 19 Ca -0.00 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.81 1xxf n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xxf s THR 20 N -0.74 0.40 0.31 2.61 -4.23 -0.23 -4.88 115.64 108.89 1xxf s THR 20 Ca 0.27 -1.57 -0.28 0.00 -1.18 0.00 0.00 61.69 58.93 1xxf s THR 20 Cb -0.02 -1.20 -0.13 0.00 1.34 0.00 0.00 72.50 72.49 1xxf s THR 20 CO 0.17 -0.77 1.11 0.00 -0.54 0.00 0.00 174.62 174.60 1xxf n ALA 21 N 0.55 0.35 -1.99 3.99 0.00 -1.26 -1.18 120.51 120.97 1xxf n ALA 21 Ca -0.17 0.38 -0.23 0.00 0.00 0.00 0.00 53.44 53.42 1xxf n ALA 21 Cb 0.59 -2.11 0.10 0.00 0.00 0.00 0.00 19.45 18.03 1xxf n ALA 21 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xxf s SER 22 N -0.47 4.46 0.07 0.00 0.01 -0.07 -4.78 113.70 112.93 1xxf s SER 22 Ca 0.57 -0.30 0.10 0.00 1.31 0.00 0.00 55.95 57.63 1xxf s SER 22 Cb -0.65 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 65.41 1xxf s SER 22 CO 0.61 -1.78 -0.26 -0.69 0.41 0.00 0.00 173.24 171.53 1xxf s VAL 23 N -3.11 2.25 -0.12 3.43 1.01 -1.26 -4.92 120.40 117.68 1xxf s VAL 23 Ca 0.65 -1.50 -0.33 0.00 0.00 0.00 0.00 61.98 60.81 1xxf s VAL 23 Cb -0.06 -1.93 -0.10 0.00 0.00 0.00 0.00 36.38 34.29 1xxf s VAL 23 CO 0.44 0.27 1.98 -1.14 0.00 0.00 0.00 175.10 176.65 1xxf n ARG 24 N 1.45 2.11 -0.27 2.72 0.63 -1.26 -0.53 116.66 121.50 1xxf n ARG 24 Ca -0.17 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 1xxf n ARG 24 Cb 0.52 -2.75 0.00 0.00 0.45 0.00 0.00 32.46 30.68 1xxf n ARG 24 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xxf n GLY 25 N 4.88 0.70 0.23 5.14 0.00 -1.26 -4.97 105.19 109.92 1xxf n GLY 25 Ca 0.26 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 1xxf n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xxf h GLU 26 N 4.08 0.83 -2.42 1.61 4.81 -1.14 -3.36 114.58 118.99 1xxf h GLU 26 Ca 0.00 -0.61 -0.60 0.00 -0.13 0.00 0.00 59.36 58.02 1xxf h GLU 26 Cb 0.00 0.11 -0.41 0.00 0.63 0.00 0.00 28.75 29.08 1xxf h GLU 26 CO 0.00 1.23 -0.76 0.91 -0.73 0.00 0.00 179.01 179.66 1xxf n TRP 27 N -3.96 1.93 0.09 0.92 7.02 -1.26 -4.96 117.44 117.22 1xxf n TRP 27 Ca -0.06 -3.93 0.09 0.00 -1.02 0.00 0.00 57.50 52.58 1xxf n TRP 27 Cb 0.70 -0.40 0.57 0.00 -2.42 0.00 0.00 31.31 29.76 1xxf n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1xxf h PRO 28 N 4.70 0.21 0.00 -0.99 0.13 -1.81 -1.52 132.00 132.73 1xxf h PRO 28 Ca 0.17 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 1xxf h PRO 28 Cb 0.77 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1xxf h PRO 28 CO 0.65 0.14 -0.07 0.11 -0.23 0.00 0.00 178.00 178.60 1xxf h TRP 29 N 0.22 0.00 -3.32 1.56 0.09 -1.80 -3.26 115.95 109.44 1xxf h TRP 29 Ca 0.13 0.00 -0.53 0.00 0.09 0.00 0.00 58.89 58.58 1xxf h TRP 29 Cb 0.24 0.00 0.06 0.00 0.08 0.00 0.00 29.16 29.54 1xxf h TRP 29 CO -0.00 0.07 0.81 -1.14 0.09 0.00 0.00 178.44 178.27 1xxf s GLN 30 N -3.32 4.22 0.12 0.12 2.00 -0.57 -0.69 119.66 121.54 1xxf s GLN 30 Ca 0.05 2.40 0.02 0.00 -2.00 0.00 0.00 55.36 55.82 1xxf s GLN 30 Cb 0.07 -3.08 -0.04 0.00 0.80 0.00 0.00 33.01 30.75 1xxf s GLN 30 CO 0.65 -0.50 -0.05 0.14 -0.50 0.00 0.00 175.29 175.03 1xxf s VAL 31 N 0.07 0.69 -0.23 1.34 -7.23 -0.16 -4.47 120.40 110.41 1xxf s VAL 31 Ca 0.61 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.82 1xxf s VAL 31 Cb -0.44 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 34.71 1xxf s VAL 31 CO 0.44 -0.76 -0.08 0.28 -0.31 0.00 0.00 175.10 174.67 1xxf s THR 32 N -3.64 2.87 -0.05 5.32 -1.32 -0.99 -2.32 115.64 115.51 1xxf s THR 32 Ca 0.15 -0.87 -0.23 0.00 -1.21 0.00 0.00 61.69 59.53 1xxf s THR 32 Cb 0.05 -2.38 -0.04 0.00 -1.51 0.00 0.00 72.50 68.63 1xxf s THR 32 CO -0.02 0.31 0.70 -0.22 -2.21 0.00 0.00 174.62 173.19 1xxf s LEU 33 N 1.36 4.34 0.37 9.08 2.96 0.27 -2.24 118.68 134.82 1xxf s LEU 33 Ca 0.02 1.22 0.08 0.00 -0.22 0.00 0.00 54.13 55.24 1xxf s LEU 33 Cb -0.15 -3.09 -0.07 0.00 0.50 0.00 0.00 46.19 43.38 1xxf s LEU 33 CO -0.06 -0.09 -0.01 -1.00 -1.32 0.00 0.00 176.35 173.88 1xxf s HIS 34 N 0.64 2.49 0.07 5.38 3.76 0.44 0.03 115.29 128.09 1xxf s HIS 34 Ca 0.37 -0.55 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 1xxf s HIS 34 Cb -0.18 -1.59 -0.03 0.00 1.11 0.00 0.00 32.58 31.89 1xxf s HIS 34 CO 0.19 0.48 -0.08 0.95 -0.85 0.00 0.00 174.74 175.43 1xxf s THR 35 N -2.62 0.66 -0.43 1.30 -4.23 -0.97 -1.89 115.64 107.45 1xxf s THR 35 Ca 0.35 -1.46 0.05 0.00 -1.18 0.00 0.00 61.69 59.45 1xxf s THR 35 Cb 0.04 -1.10 0.43 0.00 1.34 0.00 0.00 72.50 73.21 1xxf s THR 35 CO 0.18 -0.58 1.18 0.35 -0.54 0.00 0.00 174.62 175.22 1xxf n THR 36 N 0.81 2.48 -3.46 3.99 -2.24 -0.58 -2.04 114.28 113.23 1xxf n THR 36 Ca -0.18 -4.72 0.01 0.00 -2.27 0.00 0.00 64.05 56.88 1xxf n THR 36 Cb 0.57 -1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 67.52 1xxf n THR 36 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1xxf s SER 37 N -3.42 -0.68 0.14 3.42 0.01 -1.26 -4.54 113.70 107.37 1xxf s SER 37 Ca 0.49 0.94 -0.14 0.00 1.31 0.00 0.00 55.95 58.55 1xxf s SER 37 Cb 0.41 1.74 0.01 0.00 0.21 0.00 0.00 66.02 68.39 1xxf s SER 37 CO -0.15 -0.13 1.64 -0.65 0.41 0.00 0.00 173.24 174.36 1xxf h PRO 37 N 7.49 0.74 -5.67 12.44 0.11 -2.00 -3.48 132.00 141.64 1xxf h PRO 37 Ca -0.17 -0.19 -0.62 0.00 0.11 0.00 0.00 66.00 65.13 1xxf h PRO 37 Cb 1.12 -0.09 -0.12 0.00 0.11 0.00 0.00 31.00 32.01 1xxf h PRO 37 CO 0.09 0.74 -0.58 -0.08 -0.21 0.00 0.00 178.00 177.97 1xxf s THR 37 N -5.27 2.00 0.10 -1.15 -1.32 -1.26 -5.11 115.64 103.63 1xxf s THR 37 Ca -0.13 -1.96 -0.30 0.00 -1.21 0.00 0.00 61.69 58.09 1xxf s THR 37 Cb 0.11 -2.96 -0.06 0.00 -1.51 0.00 0.00 72.50 68.08 1xxf s THR 37 CO 0.79 0.00 1.08 -1.58 -2.21 0.00 0.00 174.62 172.70 1xxf s GLN 37 N -3.75 4.56 -0.11 7.08 0.74 -1.21 -4.10 119.66 122.87 1xxf s GLN 37 Ca 0.34 1.63 -0.30 0.00 0.05 0.00 0.00 55.36 57.09 1xxf s GLN 37 Cb 0.09 -3.35 0.11 0.00 1.10 0.00 0.00 33.01 30.96 1xxf s GLN 37 CO 0.18 -0.03 0.91 -0.98 -0.55 0.00 0.00 175.29 174.82 1xxf s ARG 37 N 0.37 0.74 0.11 1.67 1.70 -0.87 -4.96 118.95 117.71 1xxf s ARG 37 Ca 0.52 0.09 -0.31 0.00 -0.47 0.00 0.00 55.73 55.56 1xxf s ARG 37 Cb -0.27 0.35 -0.10 0.00 -0.57 0.00 0.00 34.95 34.36 1xxf s ARG 37 CO 0.31 -0.25 1.77 -1.58 -1.08 0.00 0.00 175.30 174.47 1xxf s HIS 38 N -1.49 2.28 -0.19 5.89 5.65 -1.26 -2.30 115.29 123.86 1xxf s HIS 38 Ca -0.02 0.10 -0.13 0.00 0.25 0.00 0.00 55.06 55.26 1xxf s HIS 38 Cb -0.00 -4.11 -0.08 0.00 -1.18 0.00 0.00 32.58 27.20 1xxf s HIS 38 CO 0.01 -4.53 -0.30 -0.11 -0.65 0.00 0.00 174.74 169.16 1xxf n LEU 39 N 5.53 1.72 -3.99 8.88 7.94 0.10 -4.94 117.00 132.24 1xxf n LEU 39 Ca 0.17 0.29 -0.10 0.00 -1.11 0.00 0.00 56.01 55.27 1xxf n LEU 39 Cb 0.39 -0.68 -0.05 0.00 0.53 0.00 0.00 43.42 43.61 1xxf n LEU 39 CO 0.65 0.12 0.21 0.00 -1.11 0.00 0.00 177.39 177.25 1xxf s GLY 41 N -3.05 1.80 0.12 0.00 0.00 0.12 0.97 107.32 107.29 1xxf s GLY 41 Ca 0.23 -1.45 -0.25 0.00 0.00 0.00 0.00 44.72 43.25 1xxf s GLY 41 CO 0.11 -1.26 0.73 -0.32 0.00 0.00 0.00 173.10 172.36 1xxf s GLY 42 N -4.32 -0.48 -0.05 0.20 0.00 -0.98 -3.79 107.32 97.89 1xxf s GLY 42 Ca 0.53 0.53 0.04 0.00 0.00 0.00 0.00 44.72 45.82 1xxf s GLY 42 CO 0.35 0.17 -0.17 -0.56 0.00 0.00 0.00 173.10 172.89 1xxf s SER 43 N -2.70 2.21 0.07 1.64 0.01 -0.51 -0.98 113.70 113.43 1xxf s SER 43 Ca 0.04 -0.36 -0.30 0.00 1.31 0.00 0.00 55.95 56.64 1xxf s SER 43 Cb -0.02 -0.64 -0.06 0.00 0.21 0.00 0.00 66.02 65.52 1xxf s SER 43 CO -0.08 0.15 1.17 -0.63 0.41 0.00 0.00 173.24 174.26 1xxf s ILE 44 N 0.06 4.08 0.00 1.44 1.01 0.13 -2.05 121.20 125.87 1xxf s ILE 44 Ca -0.05 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.12 1xxf s ILE 44 Cb -0.12 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1xxf s ILE 44 CO 0.02 0.13 0.10 2.30 0.00 0.00 0.00 174.94 177.50 1xxf n ILE 45 N 3.78 0.00 -3.57 2.92 -5.35 -1.10 0.27 119.36 116.30 1xxf n ILE 45 Ca 0.08 -0.14 -0.09 0.00 -0.27 0.00 0.00 62.75 62.33 1xxf n ILE 45 Cb 0.47 1.51 -0.02 0.00 -1.74 0.00 0.00 39.64 39.86 1xxf n ILE 45 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1xxf s GLY 46 N -0.08 -0.42 0.62 3.28 0.00 -1.21 -4.86 107.32 104.64 1xxf s GLY 46 Ca 0.00 0.44 0.29 0.00 0.00 0.00 0.00 44.72 45.45 1xxf s GLY 46 CO 0.00 0.14 1.91 3.45 0.00 0.00 0.00 173.10 178.60 1xxf h ASN 47 N 2.00 0.00 -0.23 1.64 -1.07 -1.98 -2.56 115.58 113.37 1xxf h ASN 47 Ca -0.26 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 55.90 1xxf h ASN 47 Cb 1.27 0.00 -0.30 0.00 -2.07 0.00 0.00 38.32 37.22 1xxf h ASN 47 CO 0.31 0.00 -0.77 0.00 0.07 0.00 0.00 177.43 177.04 1xxf n GLN 48 N -3.42 1.45 -4.01 4.14 10.64 -1.26 0.75 117.38 125.67 1xxf n GLN 48 Ca 0.04 -2.50 -0.15 0.00 -1.83 0.00 0.00 57.00 52.56 1xxf n GLN 48 Cb 0.54 -0.70 -0.15 0.00 -0.86 0.00 0.00 30.24 29.07 1xxf n GLN 48 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1xxf s TRP 51 N -2.03 0.28 -0.11 2.61 0.52 -0.97 -1.37 118.94 117.88 1xxf s TRP 51 Ca 0.20 -0.04 -0.01 0.00 0.02 0.00 0.00 56.10 56.27 1xxf s TRP 51 Cb 0.36 -0.23 0.03 0.00 -1.15 0.00 0.00 33.47 32.48 1xxf s TRP 51 CO -0.08 -0.03 -0.02 0.42 0.02 0.00 0.00 176.95 177.26 1xxf s ILE 52 N 0.18 0.64 0.15 2.03 -1.09 -0.44 -2.73 121.20 119.94 1xxf s ILE 52 Ca -0.01 -0.14 -0.26 0.00 -2.23 0.00 0.00 60.65 58.01 1xxf s ILE 52 Cb -0.04 -0.80 -0.08 0.00 -1.58 0.00 0.00 42.46 39.96 1xxf s ILE 52 CO -0.00 0.23 0.79 -0.22 -1.23 0.00 0.00 174.94 174.50 1xxf s LEU 53 N 1.85 4.57 0.00 2.97 2.96 -0.87 -1.02 118.68 129.15 1xxf s LEU 53 Ca 0.04 1.63 -0.04 0.00 -0.22 0.00 0.00 54.13 55.55 1xxf s LEU 53 Cb -0.13 -3.31 0.01 0.00 0.50 0.00 0.00 46.19 43.27 1xxf s LEU 53 CO -0.07 0.17 0.20 1.07 -1.32 0.00 0.00 176.35 176.41 1xxf n THR 54 N 1.80 0.00 -3.13 3.68 5.66 0.39 -1.42 114.28 121.26 1xxf n THR 54 Ca -0.05 -0.26 -0.38 0.00 -3.05 0.00 0.00 64.05 60.32 1xxf n THR 54 Cb 0.49 0.26 -0.06 0.00 -1.55 0.00 0.00 70.33 69.46 1xxf n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xxf s ALA 55 N -1.30 3.48 0.21 1.79 0.00 -1.26 -0.61 121.76 124.07 1xxf s ALA 55 Ca 0.04 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1xxf s ALA 55 Cb -0.01 -2.78 0.18 0.00 0.00 0.00 0.00 23.12 20.50 1xxf s ALA 55 CO 0.03 0.35 1.53 0.00 0.00 0.00 0.00 175.76 177.67 1xxf h ALA 56 N 3.95 0.76 0.00 0.00 0.00 -1.74 -2.99 119.26 119.24 1xxf h ALA 56 Ca -0.48 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1xxf h ALA 56 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1xxf h ALA 56 CO 0.65 0.71 0.00 -2.39 0.00 0.00 0.00 179.25 178.22 1xxf n HIS 57 N -3.92 0.00 0.12 0.00 1.44 -1.26 -2.52 115.22 109.08 1xxf n HIS 57 Ca -0.03 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.66 1xxf n HIS 57 Cb 0.61 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.81 1xxf n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xxf n PHE 59 N -3.56 2.88 0.00 0.00 3.01 -1.05 -4.73 117.46 114.01 1xxf n PHE 59 Ca -0.00 -2.65 0.00 0.00 1.01 0.00 0.00 57.45 55.81 1xxf n PHE 59 Cb 0.72 -1.32 0.00 0.00 -0.01 0.00 0.00 39.48 38.87 1xxf n PHE 59 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1xxf n TYR 59 N -0.56 0.00 -0.99 1.38 -0.00 -1.25 -3.53 117.16 112.22 1xxf n TYR 59 Ca 0.56 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 58.31 1xxf n TYR 59 Cb 0.52 -0.34 -0.04 0.00 -0.00 0.00 0.00 39.34 39.48 1xxf n TYR 59 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1xxf n GLY 59 N -0.34 3.58 2.82 2.98 0.00 -1.26 -4.76 105.19 108.21 1xxf n GLY 59 Ca 0.00 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 1xxf n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xxf s VAL 59 N -1.05 1.12 -0.87 1.61 1.01 -1.23 -4.97 120.40 116.02 1xxf s VAL 59 Ca 0.40 -1.23 0.16 0.00 0.00 0.00 0.00 61.98 61.31 1xxf s VAL 59 Cb 0.25 -1.65 0.58 0.00 0.00 0.00 0.00 36.38 35.56 1xxf s VAL 59 CO -0.06 -0.38 1.50 -0.62 0.00 0.00 0.00 175.10 175.54 1xxf n GLU 60 N 4.79 3.37 -3.65 2.72 4.71 -1.26 -4.90 120.64 126.41 1xxf n GLU 60 Ca -0.06 -2.69 -0.04 0.00 -0.01 0.00 0.00 57.16 54.36 1xxf n GLU 60 Cb 0.44 -1.74 -0.06 0.00 -1.01 0.00 0.00 31.44 29.07 1xxf n GLU 60 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1xxf s SER 61 N -1.16 -0.87 0.00 1.62 0.15 -1.26 -5.00 113.70 107.18 1xxf s SER 61 Ca 0.43 1.39 0.09 0.00 0.70 0.00 0.00 55.95 58.56 1xxf s SER 61 Cb 0.28 1.84 0.57 0.00 -1.71 0.00 0.00 66.02 67.00 1xxf s SER 61 CO 0.19 -0.22 0.99 -0.81 1.20 0.00 0.00 173.24 174.59 1xxf n PRO 62 N 5.18 0.43 0.19 5.44 -0.04 -1.26 -2.65 135.00 142.29 1xxf n PRO 62 Ca -0.13 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.40 1xxf n PRO 62 Cb 0.51 -1.35 0.25 0.00 -0.04 0.00 0.00 33.50 32.88 1xxf n PRO 62 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xxf h LYS 63 N 0.00 0.00 -0.67 0.54 1.63 -1.95 -3.13 116.57 112.99 1xxf h LYS 63 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xxf h LYS 63 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1xxf h LYS 63 CO 0.00 0.33 0.00 0.44 -3.45 0.00 0.00 179.45 176.77 1xxf n ILE 64 N -3.31 1.74 -4.53 2.00 -6.64 -1.08 -4.90 119.36 102.64 1xxf n ILE 64 Ca 0.01 -0.94 -0.34 0.00 -1.77 0.00 0.00 62.75 59.71 1xxf n ILE 64 Cb 0.57 -0.22 -0.11 0.00 -1.44 0.00 0.00 39.64 38.43 1xxf n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 1xxf s LEU 65 N -1.79 3.25 -0.07 7.28 1.43 -1.18 -1.53 118.68 126.08 1xxf s LEU 65 Ca 0.38 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1xxf s LEU 65 Cb 0.28 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1xxf s LEU 65 CO 0.13 0.31 -0.06 -0.13 0.23 0.00 0.00 176.35 176.84 1xxf s ARG 66 N -0.51 1.09 -0.32 1.70 1.81 -0.79 -4.11 118.95 117.82 1xxf s ARG 66 Ca 0.08 -0.15 -0.10 0.00 -1.72 0.00 0.00 55.73 53.84 1xxf s ARG 66 Cb -0.12 -1.12 -0.00 0.00 -0.45 0.00 0.00 34.95 33.26 1xxf s ARG 66 CO 0.02 -0.14 0.15 0.08 -0.68 0.00 0.00 175.30 174.74 1xxf s VAL 67 N 1.22 4.57 -0.29 3.52 1.01 -0.79 -0.42 120.40 129.22 1xxf s VAL 67 Ca -0.06 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1xxf s VAL 67 Cb -0.14 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1xxf s VAL 67 CO -0.02 0.04 0.18 -0.31 0.00 0.00 0.00 175.10 174.99 1xxf s TYR 68 N 1.60 3.20 0.48 5.22 1.51 -0.95 -1.20 117.35 127.21 1xxf s TYR 68 Ca 0.04 -0.04 0.08 0.00 -1.01 0.00 0.00 57.07 56.15 1xxf s TYR 68 Cb -0.17 -2.38 0.03 0.00 -0.11 0.00 0.00 41.96 39.33 1xxf s TYR 68 CO 0.06 -0.23 0.58 -1.54 -1.11 0.00 0.00 175.55 173.31 1xxf s SER 69 N 1.73 5.26 -0.71 2.29 1.04 -1.26 -2.34 113.70 119.71 1xxf s SER 69 Ca 0.07 -0.70 -0.01 0.00 0.48 0.00 0.00 55.95 55.78 1xxf s SER 69 Cb -0.16 -0.25 0.01 0.00 0.10 0.00 0.00 66.02 65.72 1xxf s SER 69 CO 0.10 -0.94 0.06 0.61 0.98 0.00 0.00 173.24 174.05 1xxf n GLY 70 N -1.89 -0.50 3.66 7.32 0.00 -1.17 -4.92 105.19 107.69 1xxf n GLY 70 Ca 0.08 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1xxf n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xxf s ILE 71 N -2.44 5.03 -0.20 -0.61 -1.09 -1.26 -4.98 121.20 115.65 1xxf s ILE 71 Ca 0.06 0.05 -0.11 0.00 -2.23 0.00 0.00 60.65 58.42 1xxf s ILE 71 Cb -0.03 -3.29 -0.09 0.00 -1.58 0.00 0.00 42.46 37.48 1xxf s ILE 71 CO 0.07 0.44 -0.28 -0.11 -1.23 0.00 0.00 174.94 173.83 1xxf n LEU 72 N 3.66 1.56 -4.78 2.97 7.94 -1.26 -4.91 117.00 122.19 1xxf n LEU 72 Ca -0.16 0.27 -0.35 0.00 -1.11 0.00 0.00 56.01 54.65 1xxf n LEU 72 Cb 0.52 -0.64 -0.08 0.00 0.53 0.00 0.00 43.42 43.75 1xxf n LEU 72 CO 0.36 0.31 -0.24 0.20 -1.11 0.00 0.00 177.39 176.90 1xxf s ASN 73 N -6.78 5.75 0.46 1.96 0.01 -1.26 -1.59 114.94 113.49 1xxf s ASN 73 Ca -0.29 0.26 0.30 0.00 -0.71 0.00 0.00 52.86 52.42 1xxf s ASN 73 Cb 0.10 -1.72 1.09 0.00 0.41 0.00 0.00 41.25 41.13 1xxf s ASN 73 CO 0.37 0.36 1.86 -0.61 -1.51 0.00 0.00 177.10 177.58 1xxf h GLN 74 N 4.83 0.00 0.00 -0.60 5.75 0.75 -3.07 115.11 122.77 1xxf h GLN 74 Ca -0.52 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 57.92 1xxf h GLN 74 Cb 1.20 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 1xxf h GLN 74 CO 0.58 0.00 -0.37 0.00 -2.65 0.00 0.00 178.83 176.38 1xxf h ALA 75 N 2.08 0.80 0.00 3.38 0.00 -1.94 -3.18 119.26 120.41 1xxf h ALA 75 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1xxf h ALA 75 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xxf h ALA 75 CO 0.00 0.34 0.00 -0.85 0.00 0.00 0.00 179.25 178.74 1xxf n GLU 76 N -3.12 0.08 -2.61 0.00 0.28 -1.16 -4.47 120.64 109.64 1xxf n GLU 76 Ca 0.02 0.33 -0.41 0.00 -0.16 0.00 0.00 57.16 56.93 1xxf n GLU 76 Cb 0.64 -1.66 -0.03 0.00 1.43 0.00 0.00 31.44 31.83 1xxf n GLU 76 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xxf s ILE 77 N -3.14 3.98 0.00 3.84 1.01 -1.20 -4.96 121.20 120.73 1xxf s ILE 77 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1xxf s ILE 77 Cb 0.09 -4.98 0.00 0.00 0.01 0.00 0.00 42.46 37.58 1xxf s ILE 77 CO 0.32 -1.85 0.00 0.29 0.00 0.00 0.00 174.94 173.69 1xxf n LYS 78 N 8.69 1.14 0.23 2.79 4.01 -1.26 -5.00 118.16 128.75 1xxf n LYS 78 Ca 0.24 0.00 0.09 0.00 -0.51 0.00 0.00 58.31 58.13 1xxf n LYS 78 Cb 0.50 0.00 0.53 0.00 -0.51 0.00 0.00 35.03 35.55 1xxf n LYS 78 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 1xxf h GLU 79 N 0.00 0.00 -2.05 1.97 4.11 -1.99 -3.12 114.58 113.49 1xxf h GLU 79 Ca 0.00 0.00 -0.72 0.00 0.07 0.00 0.00 59.36 58.71 1xxf h GLU 79 Cb 0.00 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 28.92 1xxf h GLU 79 CO 0.00 0.23 0.40 -0.25 0.07 0.00 0.00 179.01 179.46 1xxf n ASP 80 N -3.64 6.38 -4.48 3.06 8.00 -1.26 -5.00 116.55 119.61 1xxf n ASP 80 Ca -0.01 -3.74 -0.31 0.00 0.71 0.00 0.00 54.79 51.44 1xxf n ASP 80 Cb 0.36 -0.89 -0.12 0.00 -0.02 0.00 0.00 41.12 40.44 1xxf n ASP 80 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1xxf s THR 81 N -4.80 2.93 0.17 -3.53 2.01 -1.18 -5.09 115.64 106.15 1xxf s THR 81 Ca 0.46 -1.12 -0.31 0.00 0.31 0.00 0.00 61.69 61.03 1xxf s THR 81 Cb 0.32 -2.24 -0.10 0.00 0.01 0.00 0.00 72.50 70.49 1xxf s THR 81 CO -0.23 0.34 1.49 -0.44 -0.69 0.00 0.00 174.62 175.09 1xxf s SER 81 N -1.44 6.66 0.06 3.53 0.01 -1.26 -5.01 113.70 116.24 1xxf s SER 81 Ca 0.15 2.56 -0.22 0.00 1.31 0.00 0.00 55.95 59.75 1xxf s SER 81 Cb -0.11 -2.60 0.05 0.00 0.21 0.00 0.00 66.02 63.58 1xxf s SER 81 CO 0.06 -0.75 0.52 0.72 0.41 0.00 0.00 173.24 174.20 1xxf s PHE 82 N 0.83 -0.42 -0.07 2.43 -0.12 -1.26 -4.63 117.98 114.73 1xxf s PHE 82 Ca 0.66 0.45 -0.08 0.00 -0.05 0.00 0.00 56.93 57.91 1xxf s PHE 82 Cb -0.42 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.28 1xxf s PHE 82 CO 0.34 -0.66 0.21 -0.06 -0.05 0.00 0.00 175.22 175.00 1xxf s PHE 83 N -2.57 3.61 0.41 3.49 0.40 -0.34 -4.92 117.98 118.06 1xxf s PHE 83 Ca -0.05 0.58 -0.05 0.00 -0.60 0.00 0.00 56.93 56.82 1xxf s PHE 83 Cb -0.01 -1.99 -0.04 0.00 0.51 0.00 0.00 43.02 41.49 1xxf s PHE 83 CO -0.03 0.69 0.70 0.20 0.70 0.00 0.00 175.22 177.49 1xxf s GLY 84 N -1.26 1.62 -0.22 4.36 0.00 -1.26 -1.89 107.32 108.67 1xxf s GLY 84 Ca 0.20 -0.53 -0.07 0.00 0.00 0.00 0.00 44.72 44.32 1xxf s GLY 84 CO 0.09 -0.39 0.07 0.14 0.00 0.00 0.00 173.10 173.01 1xxf s VAL 85 N -2.48 4.55 0.03 1.40 1.01 -1.26 0.58 120.40 124.23 1xxf s VAL 85 Ca 0.46 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 1xxf s VAL 85 Cb -0.10 -3.09 -0.30 0.00 0.00 0.00 0.00 36.38 32.89 1xxf s VAL 85 CO 0.38 0.39 0.97 -0.61 0.00 0.00 0.00 175.10 176.23 1xxf h GLN 86 N 7.54 0.34 -1.52 2.72 4.15 -0.85 -3.41 115.11 124.08 1xxf h GLN 86 Ca -0.37 -0.57 0.09 0.00 0.77 0.00 0.00 58.65 58.57 1xxf h GLN 86 Cb 1.18 0.21 -0.25 0.00 0.21 0.00 0.00 27.48 28.83 1xxf h GLN 86 CO 0.63 1.24 0.55 -1.83 -1.93 0.00 0.00 178.83 177.49 1xxf s GLU 87 N -2.62 0.49 -0.29 1.69 -1.05 -1.20 -4.95 118.70 110.76 1xxf s GLU 87 Ca -0.08 0.33 -0.12 0.00 -0.15 0.00 0.00 54.97 54.95 1xxf s GLU 87 Cb 0.06 0.23 -0.04 0.00 -0.44 0.00 0.00 34.13 33.94 1xxf s GLU 87 CO 0.88 -0.11 0.24 0.42 0.95 0.00 0.00 175.26 177.65 1xxf s ILE 88 N -0.44 5.27 -0.31 1.83 1.01 -1.26 -2.48 121.20 124.82 1xxf s ILE 88 Ca 0.02 0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.77 1xxf s ILE 88 Cb -0.03 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.84 1xxf s ILE 88 CO -0.04 0.18 0.13 -0.63 0.00 0.00 0.00 174.94 174.59 1xxf s ILE 89 N 1.83 4.44 -0.13 2.92 1.01 -0.12 -5.00 121.20 126.15 1xxf s ILE 89 Ca 0.09 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.25 1xxf s ILE 89 Cb -0.16 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 1xxf s ILE 89 CO 0.11 0.07 -0.13 -0.63 0.00 0.00 0.00 174.94 174.36 1xxf s ILE 90 N 1.58 3.05 -0.33 2.92 1.01 -1.26 -0.46 121.20 127.71 1xxf s ILE 90 Ca 0.04 -0.66 -0.42 0.00 0.00 0.00 0.00 60.65 59.61 1xxf s ILE 90 Cb -0.17 -2.28 -0.17 0.00 0.01 0.00 0.00 42.46 39.86 1xxf s ILE 90 CO 0.05 0.53 1.71 1.57 0.00 0.00 0.00 174.94 178.80 1xxf n HIS 91 N 3.51 1.99 0.34 3.97 -0.00 -1.18 -4.81 115.22 119.04 1xxf n HIS 91 Ca -0.18 0.68 0.18 0.00 -0.00 0.00 0.00 57.72 58.39 1xxf n HIS 91 Cb 0.53 -2.41 0.96 0.00 -0.00 0.00 0.00 29.99 29.07 1xxf n HIS 91 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1xxf h ASP 92 N 6.72 0.00 -0.59 0.26 3.32 -1.94 0.29 116.42 124.49 1xxf h ASP 92 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1xxf h ASP 92 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1xxf h ASP 92 CO 0.97 0.00 0.00 1.67 -1.72 0.00 0.00 179.24 180.16 1xxf n GLN 93 N -2.95 2.64 -2.78 3.56 7.27 -1.26 -4.92 117.38 118.94 1xxf n GLN 93 Ca -0.02 -2.22 -0.41 0.00 0.07 0.00 0.00 57.00 54.42 1xxf n GLN 93 Cb 0.27 -1.56 -0.05 0.00 2.41 0.00 0.00 30.24 31.32 1xxf n GLN 93 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1xxf s TYR 94 N -1.36 3.82 0.12 3.69 5.04 0.10 -4.85 117.35 123.91 1xxf s TYR 94 Ca 0.41 1.75 0.00 0.00 -2.44 0.00 0.00 57.07 56.79 1xxf s TYR 94 Cb 0.23 -3.00 0.00 0.00 0.35 0.00 0.00 41.96 39.54 1xxf s TYR 94 CO 0.25 0.25 0.00 1.17 -1.34 0.00 0.00 175.55 175.88 1xxf n LYS 95 N 2.63 0.00 -3.69 4.97 4.81 -1.26 -5.02 118.16 120.60 1xxf n LYS 95 Ca 0.01 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.31 1xxf n LYS 95 Cb 0.49 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.40 1xxf n LYS 95 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1xxf s MET 96 N -2.00 0.14 0.25 1.64 -1.94 -1.26 -5.06 119.30 111.07 1xxf s MET 96 Ca 0.00 0.61 -0.09 0.00 -1.71 0.00 0.00 55.69 54.51 1xxf s MET 96 Cb 0.00 -0.12 0.38 0.00 2.01 0.00 0.00 34.83 37.11 1xxf s MET 96 CO 0.00 -0.24 1.41 0.00 -0.01 0.00 0.00 175.02 176.18 1xxf n ALA 97 N 4.88 0.16 0.33 3.03 0.00 -1.26 0.22 120.51 127.87 1xxf n ALA 97 Ca -0.14 0.98 0.22 0.00 0.00 0.00 0.00 53.44 54.49 1xxf n ALA 97 Cb 0.51 -0.57 1.15 0.00 0.00 0.00 0.00 19.45 20.55 1xxf n ALA 97 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xxf h GLU 98 N 0.00 0.00 -0.00 0.00 3.07 -1.97 0.39 114.58 116.07 1xxf h GLU 98 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1xxf h GLU 98 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1xxf h GLU 98 CO -0.92 0.00 -0.55 0.43 -1.40 0.00 0.00 179.01 176.56 1xxf n SER 99 N -3.01 0.85 0.00 1.42 7.64 0.58 -4.72 113.62 116.38 1xxf n SER 99 Ca -0.03 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1xxf n SER 99 Cb 0.10 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1xxf n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xxf n GLY 100 N 1.46 -1.84 2.40 0.23 0.00 0.14 -4.96 105.19 102.62 1xxf n GLY 100 Ca 0.07 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.01 1xxf n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xxf n TYR 101 N 0.00 -1.08 -1.90 1.61 4.02 -1.26 -4.39 117.16 114.15 1xxf n TYR 101 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 1xxf n TYR 101 Cb 0.00 -3.29 -0.00 0.00 -0.02 0.00 0.00 39.34 36.03 1xxf n TYR 101 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1xxf n ASP 102 N -1.76 5.72 -3.99 7.72 4.64 -1.26 -4.50 116.55 123.13 1xxf n ASP 102 Ca -0.19 -2.93 -0.15 0.00 -1.38 0.00 0.00 54.79 50.13 1xxf n ASP 102 Cb 0.63 -1.54 -0.14 0.00 -1.04 0.00 0.00 41.12 39.04 1xxf n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1xxf s ILE 103 N 1.42 0.47 -0.13 5.18 2.07 -1.26 -3.89 121.20 125.06 1xxf s ILE 103 Ca 0.49 -0.41 -0.20 0.00 -1.41 0.00 0.00 60.65 59.12 1xxf s ILE 103 Cb 0.14 -0.43 0.05 0.00 0.13 0.00 0.00 42.46 42.35 1xxf s ILE 103 CO -0.05 0.02 0.50 0.00 -1.91 0.00 0.00 174.94 173.50 1xxf s ALA 104 N -0.39 -1.26 0.04 1.50 0.00 0.22 -3.11 121.76 118.76 1xxf s ALA 104 Ca -0.00 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.16 1xxf s ALA 104 Cb -0.04 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1xxf s ALA 104 CO -0.00 -0.27 0.02 -0.51 0.00 0.00 0.00 175.76 175.00 1xxf s LEU 105 N -0.35 3.58 -0.22 0.00 1.43 0.40 -0.46 118.68 123.05 1xxf s LEU 105 Ca -0.05 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1xxf s LEU 105 Cb -0.03 -2.17 0.05 0.00 0.03 0.00 0.00 46.19 44.07 1xxf s LEU 105 CO 0.03 0.23 -0.08 -0.76 0.23 0.00 0.00 176.35 176.01 1xxf s LEU 106 N -1.92 2.49 -0.25 1.79 1.43 -0.19 -0.94 118.68 121.08 1xxf s LEU 106 Ca 0.23 -1.06 -0.23 0.00 -1.03 0.00 0.00 54.13 52.04 1xxf s LEU 106 Cb -0.12 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 1xxf s LEU 106 CO 0.15 -0.20 0.74 -0.75 0.23 0.00 0.00 176.35 176.52 1xxf s LYS 107 N 1.38 4.15 0.65 1.70 2.20 -1.04 -1.33 119.74 127.45 1xxf s LYS 107 Ca -0.04 0.76 -0.11 0.00 -0.36 0.00 0.00 55.97 56.22 1xxf s LYS 107 Cb -0.18 -3.65 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 1xxf s LYS 107 CO -0.07 -0.47 1.05 -0.51 -0.36 0.00 0.00 175.35 174.99 1xxf s LEU 108 N 2.69 3.14 0.19 5.43 1.43 -0.47 -0.26 118.68 130.84 1xxf s LEU 108 Ca 0.31 1.37 0.04 0.00 -1.03 0.00 0.00 54.13 54.82 1xxf s LEU 108 Cb -0.15 -4.35 0.08 0.00 0.03 0.00 0.00 46.19 41.80 1xxf s LEU 108 CO 0.08 -1.03 1.44 -0.08 0.23 0.00 0.00 176.35 176.99 1xxf h GLU 109 N -0.43 0.17 -5.08 1.70 4.57 -0.18 -3.40 114.58 111.92 1xxf h GLU 109 Ca -0.44 -0.16 -0.40 0.00 -1.18 0.00 0.00 59.36 57.18 1xxf h GLU 109 Cb 1.21 0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 29.70 1xxf h GLU 109 CO 0.62 0.87 -0.63 0.95 -1.18 0.00 0.00 179.01 179.64 1xxf s THR 110 N -3.35 0.96 0.50 0.32 -4.23 -1.26 -5.01 115.64 103.57 1xxf s THR 110 Ca -0.03 -2.02 -0.17 0.00 -1.18 0.00 0.00 61.69 58.30 1xxf s THR 110 Cb 0.11 -2.57 -0.08 0.00 1.34 0.00 0.00 72.50 71.30 1xxf s THR 110 CO 0.81 -0.14 0.97 -0.89 -0.54 0.00 0.00 174.62 174.84 1xxf s THR 111 N -3.46 4.51 -0.25 3.99 2.01 -1.26 -4.65 115.64 116.52 1xxf s THR 111 Ca 0.34 1.25 -0.11 0.00 0.31 0.00 0.00 61.69 63.47 1xxf s THR 111 Cb 0.07 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1xxf s THR 111 CO 0.12 -0.62 0.20 -0.69 -0.69 0.00 0.00 174.62 172.95 1xxf s VAL 112 N -2.54 5.32 -0.29 3.82 1.01 0.23 -4.99 120.40 122.95 1xxf s VAL 112 Ca 0.59 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.52 1xxf s VAL 112 Cb -0.10 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 1xxf s VAL 112 CO 0.28 0.29 1.51 0.21 0.00 0.00 0.00 175.10 177.39 1xxf s ASN 113 N 1.37 6.39 0.02 3.32 2.47 -1.26 -4.86 114.94 122.39 1xxf s ASN 113 Ca 0.09 1.31 -0.30 0.00 0.42 0.00 0.00 52.86 54.38 1xxf s ASN 113 Cb -0.15 -2.53 -0.06 0.00 -1.45 0.00 0.00 41.25 37.05 1xxf s ASN 113 CO 0.08 -1.30 1.50 -0.31 -3.72 0.00 0.00 177.10 173.35 1xxf s TYR 114 N 5.22 2.64 0.00 0.43 2.02 -1.26 -4.71 117.35 121.69 1xxf s TYR 114 Ca 0.66 0.60 0.00 0.00 -0.37 0.00 0.00 57.07 57.97 1xxf s TYR 114 Cb -0.20 -3.78 0.00 0.00 -0.40 0.00 0.00 41.96 37.58 1xxf s TYR 114 CO 0.29 -3.03 0.00 0.00 -1.57 0.00 0.00 175.55 171.24 1xxf n ALA 115 N 5.59 0.00 0.63 3.71 0.00 -0.03 -4.98 120.51 125.42 1xxf n ALA 115 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1xxf n ALA 115 Cb 0.42 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.16 1xxf n ALA 115 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xxf n ASP 116 N 0.00 0.72 -0.12 0.00 9.92 -1.26 -3.65 116.55 122.16 1xxf n ASP 116 Ca 0.00 0.31 0.05 0.00 -0.53 0.00 0.00 54.79 54.62 1xxf n ASP 116 Cb 0.00 -0.25 -0.03 0.00 -0.64 0.00 0.00 41.12 40.20 1xxf n ASP 116 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1xxf n SER 117 N -2.13 0.86 -3.34 -2.24 3.41 -1.26 -4.69 113.62 104.22 1xxf n SER 117 Ca 0.04 -0.93 -0.11 0.00 -0.26 0.00 0.00 58.87 57.61 1xxf n SER 117 Cb 0.43 0.75 -0.08 0.00 -0.26 0.00 0.00 64.21 65.05 1xxf n SER 117 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xxf s GLN 118 N -1.72 0.37 -0.02 4.33 -0.21 -1.24 -3.03 119.66 118.14 1xxf s GLN 118 Ca 0.06 0.14 -0.09 0.00 0.02 0.00 0.00 55.36 55.49 1xxf s GLN 118 Cb 0.08 -0.46 0.01 0.00 1.00 0.00 0.00 33.01 33.64 1xxf s GLN 118 CO 0.35 -0.94 0.20 -0.98 -2.12 0.00 0.00 175.29 171.80 1xxf s ARG 119 N 2.49 0.48 0.29 2.91 1.70 -1.23 -0.85 118.95 124.74 1xxf s ARG 119 Ca 0.10 -0.19 -0.29 0.00 -0.47 0.00 0.00 55.73 54.88 1xxf s ARG 119 Cb -0.13 0.21 -0.10 0.00 -0.57 0.00 0.00 34.95 34.35 1xxf s ARG 119 CO -0.27 -0.11 1.13 -1.25 -1.08 0.00 0.00 175.30 173.71 1xxf s PRO 121 N -1.03 4.60 0.24 3.89 0.04 -1.26 -2.65 135.00 138.82 1xxf s PRO 121 Ca -0.11 1.86 -0.18 0.00 0.04 0.00 0.00 61.00 62.60 1xxf s PRO 121 Cb -0.06 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.24 1xxf s PRO 121 CO 0.02 0.15 0.71 -1.50 0.04 0.00 0.00 177.00 176.42 1xxf s ILE 122 N -1.17 4.61 0.32 0.56 2.07 0.14 -4.90 121.20 122.84 1xxf s ILE 122 Ca 0.45 1.18 -0.28 0.00 -1.41 0.00 0.00 60.65 60.59 1xxf s ILE 122 Cb -0.33 -3.80 -0.09 0.00 0.13 0.00 0.00 42.46 38.37 1xxf s ILE 122 CO 0.43 0.13 1.11 0.00 -1.91 0.00 0.00 174.94 174.70 1xxf s LEU 124 N -1.78 3.62 0.44 0.00 1.43 -1.26 -1.75 118.68 119.38 1xxf s LEU 124 Ca 0.48 1.18 -0.25 0.00 -1.03 0.00 0.00 54.13 54.51 1xxf s LEU 124 Cb -0.30 -4.12 -0.09 0.00 0.03 0.00 0.00 46.19 41.70 1xxf s LEU 124 CO 0.39 -0.57 1.29 -2.65 0.23 0.00 0.00 176.35 175.03 1xxf n PRO 125 N -1.94 1.92 -3.19 1.29 -0.02 -1.26 -4.82 135.00 126.97 1xxf n PRO 125 Ca 0.03 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 1xxf n PRO 125 Cb 0.54 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 1xxf n PRO 125 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1xxf s SER 126 N -0.58 6.30 0.04 2.55 0.15 -1.26 -4.93 113.70 115.96 1xxf s SER 126 Ca 0.62 -0.30 -0.07 0.00 0.70 0.00 0.00 55.95 56.90 1xxf s SER 126 Cb -0.49 -2.28 -0.02 0.00 -1.71 0.00 0.00 66.02 61.52 1xxf s SER 126 CO 0.57 -0.64 0.55 1.17 1.20 0.00 0.00 173.24 176.09 1xxf n LYS 127 N 5.96 -0.10 -0.01 5.44 4.81 -1.26 0.33 118.16 133.33 1xxf n LYS 127 Ca -0.04 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1xxf n LYS 127 Cb 0.48 -0.80 0.00 0.00 0.02 0.00 0.00 35.03 34.73 1xxf n LYS 127 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xxf n GLY 128 N -1.06 0.39 2.69 3.14 0.00 -1.26 -2.14 105.19 106.96 1xxf n GLY 128 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1xxf n GLY 128 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xxf n ASP 129 N 1.06 -1.26 -0.00 1.61 -0.08 1.02 -4.92 116.55 113.98 1xxf n ASP 129 Ca 0.00 -2.44 0.06 0.00 -1.51 0.00 0.00 54.79 50.90 1xxf n ASP 129 Cb 0.08 0.70 -0.07 0.00 2.34 0.00 0.00 41.12 44.17 1xxf n ASP 129 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1xxf n ARG 130 N -0.70 2.81 -2.13 -0.67 1.85 -0.91 -4.51 116.66 112.41 1xxf n ARG 130 Ca -0.04 -0.01 -0.34 0.00 -1.00 0.00 0.00 57.85 56.46 1xxf n ARG 130 Cb 0.85 -1.09 0.02 0.00 -1.05 0.00 0.00 32.46 31.20 1xxf n ARG 130 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1xxf n ASN 131 N -1.33 6.32 -4.02 2.89 3.02 -1.26 -4.96 115.26 115.91 1xxf n ASN 131 Ca 0.02 -3.79 -0.21 0.00 -0.03 0.00 0.00 54.58 50.57 1xxf n ASN 131 Cb 0.20 -0.80 -0.16 0.00 -0.61 0.00 0.00 39.78 38.42 1xxf n ASN 131 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xxf s VAL 132 N -5.24 0.88 0.38 2.41 0.11 -1.26 -5.13 120.40 112.55 1xxf s VAL 132 Ca 0.51 -0.41 -0.25 0.00 -2.93 0.00 0.00 61.98 58.90 1xxf s VAL 132 Cb 0.43 -0.77 -0.09 0.00 -1.53 0.00 0.00 36.38 34.41 1xxf s VAL 132 CO -0.30 0.27 1.04 0.27 -3.33 0.00 0.00 175.10 173.06 1xxf s ILE 132 N 0.17 3.75 -0.15 7.04 -0.00 -1.26 -5.02 121.20 125.73 1xxf s ILE 132 Ca -0.03 1.38 -0.03 0.00 -0.00 0.00 0.00 60.65 61.96 1xxf s ILE 132 Cb -0.09 -3.73 -0.03 0.00 -0.00 0.00 0.00 42.46 38.61 1xxf s ILE 132 CO 0.01 0.04 -0.05 -0.31 -0.00 0.00 0.00 174.94 174.63 1xxf s TYR 133 N -1.62 2.99 -0.09 1.37 2.02 -1.26 -4.98 117.35 115.78 1xxf s TYR 133 Ca 0.56 -0.35 0.20 0.00 -0.37 0.00 0.00 57.07 57.11 1xxf s TYR 133 Cb -0.22 -1.93 -0.30 0.00 -0.40 0.00 0.00 41.96 39.10 1xxf s TYR 133 CO 0.28 -0.06 0.31 0.25 -1.57 0.00 0.00 175.55 174.77 1xxf n THR 134 N 3.50 0.52 -3.39 -0.71 -2.24 -1.26 -4.36 114.28 106.34 1xxf n THR 134 Ca -0.17 -0.62 -0.33 0.00 -2.27 0.00 0.00 64.05 60.65 1xxf n THR 134 Cb 0.53 -0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 68.53 1xxf n THR 134 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xxf n ASP 135 N -2.43 4.55 -4.53 3.42 2.03 -1.26 -4.96 116.55 113.38 1xxf n ASP 135 Ca -0.15 -3.35 -0.34 0.00 0.52 0.00 0.00 54.79 51.47 1xxf n ASP 135 Cb 0.78 -0.93 -0.12 0.00 -0.72 0.00 0.00 41.12 40.13 1xxf n ASP 135 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xxf s TRP 137 N -0.42 1.41 -0.15 0.00 0.52 0.12 -1.87 118.94 118.55 1xxf s TRP 137 Ca 0.06 -0.31 0.02 0.00 0.02 0.00 0.00 56.10 55.89 1xxf s TRP 137 Cb -0.12 -0.87 0.01 0.00 -1.15 0.00 0.00 33.47 31.33 1xxf s TRP 137 CO 0.02 0.02 -0.21 0.54 0.02 0.00 0.00 176.95 177.34 1xxf s VAL 138 N -0.60 2.14 0.27 4.03 0.11 0.14 -2.24 120.40 124.26 1xxf s VAL 138 Ca 0.05 -0.94 0.12 0.00 -2.93 0.00 0.00 61.98 58.27 1xxf s VAL 138 Cb -0.07 -1.87 -0.05 0.00 -1.53 0.00 0.00 36.38 32.86 1xxf s VAL 138 CO 0.00 0.54 -0.18 0.42 -3.33 0.00 0.00 175.10 172.55 1xxf s THR 139 N 0.91 2.57 0.00 5.04 -4.23 -1.25 -2.16 115.64 116.52 1xxf s THR 139 Ca -0.04 -2.33 0.00 0.00 -1.18 0.00 0.00 61.69 58.13 1xxf s THR 139 Cb -0.15 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1xxf s THR 139 CO -0.04 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 1xxf n GLY 140 N -0.58 1.50 1.52 3.99 0.00 -0.98 -4.53 105.19 106.10 1xxf n GLY 140 Ca -0.06 -1.11 0.05 0.00 0.00 0.00 0.00 46.02 44.91 1xxf n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xxf n TRP 141 N -0.91 1.69 -0.52 1.61 8.01 -1.26 -1.72 117.44 124.33 1xxf n TRP 141 Ca 0.00 -0.88 -0.06 0.00 -1.31 0.00 0.00 57.50 55.25 1xxf n TRP 141 Cb 0.00 -0.47 0.05 0.00 -2.01 0.00 0.00 31.31 28.88 1xxf n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xxf n GLY 142 N 0.03 -2.69 3.77 6.99 0.00 -1.25 -0.43 105.19 111.60 1xxf n GLY 142 Ca 0.28 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 1xxf n GLY 142 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xxf s TYR 143 N -1.36 2.57 -2.84 1.61 1.51 0.14 -3.17 117.35 115.81 1xxf s TYR 143 Ca 0.14 1.55 0.23 0.00 -1.01 0.00 0.00 57.07 57.97 1xxf s TYR 143 Cb -0.01 -3.29 0.19 0.00 -0.11 0.00 0.00 41.96 38.74 1xxf s TYR 143 CO 0.11 -1.77 1.23 0.54 -1.11 0.00 0.00 175.55 174.55 1xxf n ARG 144 N -1.82 2.19 0.00 -0.62 1.74 -1.24 -0.54 116.66 116.37 1xxf n ARG 144 Ca 0.12 -1.89 0.00 0.00 -0.77 0.00 0.00 57.85 55.31 1xxf n ARG 144 Cb 0.51 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 1xxf n ARG 144 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1xxf n LYS 145 N 1.30 0.00 -1.61 5.56 2.85 -1.26 -4.58 118.16 120.42 1xxf n LYS 145 Ca 0.14 0.00 -0.50 0.00 -1.05 0.00 0.00 58.31 56.89 1xxf n LYS 145 Cb 0.57 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.90 1xxf n LYS 145 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1xxf n LEU 146 N 0.00 2.04 -0.12 -5.58 7.94 -1.26 -2.26 117.00 117.76 1xxf n LEU 146 Ca 0.00 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 1xxf n LEU 146 Cb 0.00 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 42.69 1xxf n LEU 146 CO 0.00 -0.85 0.00 0.54 -1.11 0.00 0.00 177.39 175.97 1xxf n ARG 148 N 2.70 0.00 -2.32 1.96 5.12 -1.26 -5.10 116.66 117.76 1xxf n ARG 148 Ca 0.18 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 56.07 1xxf n ARG 148 Cb 0.22 -0.76 -0.01 0.00 -1.16 0.00 0.00 32.46 30.75 1xxf n ARG 148 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1xxf n ASP 149 N 0.45 0.54 -4.42 0.55 2.03 -0.96 -5.10 116.55 109.64 1xxf n ASP 149 Ca 0.00 -1.30 -0.21 0.00 0.52 0.00 0.00 54.79 53.80 1xxf n ASP 149 Cb 0.14 0.18 -0.10 0.00 -0.72 0.00 0.00 41.12 40.61 1xxf n ASP 149 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1xxf s LYS 150 N -2.20 1.53 0.28 -0.67 -2.85 -1.26 -4.99 119.74 109.58 1xxf s LYS 150 Ca 0.04 -1.76 -0.30 0.00 -1.00 0.00 0.00 55.97 52.95 1xxf s LYS 150 Cb 0.00 -1.15 -0.12 0.00 -2.06 0.00 0.00 37.83 34.50 1xxf s LYS 150 CO 0.03 0.06 1.49 1.51 0.10 0.00 0.00 175.35 178.53 1xxf n ILE 151 N -0.56 1.17 -2.70 3.79 3.06 -1.26 -4.53 119.36 118.33 1xxf n ILE 151 Ca -0.06 -0.29 -0.37 0.00 -2.50 0.00 0.00 62.75 59.53 1xxf n ILE 151 Cb 0.63 -1.74 -0.06 0.00 0.54 0.00 0.00 39.64 39.01 1xxf n ILE 151 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 1xxf s GLN 152 N -0.73 4.45 -0.03 9.51 -1.52 0.43 -4.99 119.66 126.78 1xxf s GLN 152 Ca 0.64 1.39 -0.23 0.00 -1.95 0.00 0.00 55.36 55.21 1xxf s GLN 152 Cb -0.56 -2.71 -0.22 0.00 -0.22 0.00 0.00 33.01 29.30 1xxf s GLN 152 CO 0.51 0.14 1.10 -0.97 -0.25 0.00 0.00 175.29 175.83 1xxf h ASN 153 N 2.94 0.29 -3.32 5.90 -1.24 -1.93 -3.43 115.58 114.79 1xxf h ASN 153 Ca -0.47 -0.71 -0.59 0.00 0.71 0.00 0.00 56.30 55.23 1xxf h ASN 153 Cb 1.20 -0.09 -0.10 0.00 0.73 0.00 0.00 38.32 40.06 1xxf h ASN 153 CO 0.64 0.96 -0.32 -0.89 -1.29 0.00 0.00 177.43 176.53 1xxf s THR 154 N -3.38 5.30 -0.21 -3.57 2.01 -1.26 0.13 115.64 114.66 1xxf s THR 154 Ca -0.15 0.55 -0.35 0.00 0.31 0.00 0.00 61.69 62.05 1xxf s THR 154 Cb 0.02 -3.64 -0.12 0.00 0.01 0.00 0.00 72.50 68.77 1xxf s THR 154 CO 0.75 0.37 1.98 -0.11 -0.69 0.00 0.00 174.62 176.92 1xxf n LEU 155 N 3.68 2.89 -4.92 4.42 7.94 -0.62 -4.82 117.00 125.57 1xxf n LEU 155 Ca -0.12 0.77 -0.27 0.00 -1.11 0.00 0.00 56.01 55.29 1xxf n LEU 155 Cb 0.52 -1.32 -0.01 0.00 0.53 0.00 0.00 43.42 43.14 1xxf n LEU 155 CO 0.40 -0.36 0.33 -1.58 -1.11 0.00 0.00 177.39 175.07 1xxf s GLN 156 N 4.79 3.55 0.08 1.96 2.00 -0.70 -0.90 119.66 130.45 1xxf s GLN 156 Ca 0.99 0.03 0.01 0.00 -2.00 0.00 0.00 55.36 54.39 1xxf s GLN 156 Cb -0.77 -2.49 -0.04 0.00 0.80 0.00 0.00 33.01 30.50 1xxf s GLN 156 CO 0.52 -0.04 -0.05 -1.59 -0.50 0.00 0.00 175.29 173.63 1xxf s LYS 157 N -4.42 0.75 -0.29 1.67 -2.85 -0.32 -2.31 119.74 111.96 1xxf s LYS 157 Ca 0.45 -1.29 -0.16 0.00 -1.00 0.00 0.00 55.97 53.97 1xxf s LYS 157 Cb -0.10 -0.04 0.14 0.00 -2.06 0.00 0.00 37.83 35.77 1xxf s LYS 157 CO 0.40 -0.06 0.93 0.00 0.10 0.00 0.00 175.35 176.72 1xxf s ALA 158 N -3.75 -2.27 -0.06 0.59 0.00 -0.92 -1.07 121.76 114.30 1xxf s ALA 158 Ca 0.10 2.22 -0.25 0.00 0.00 0.00 0.00 51.96 54.03 1xxf s ALA 158 Cb 0.06 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 1xxf s ALA 158 CO -0.07 -0.43 0.79 0.21 0.00 0.00 0.00 175.76 176.26 1xxf s LYS 159 N 1.53 4.46 -0.03 0.00 2.20 -1.26 -0.69 119.74 125.95 1xxf s LYS 159 Ca -0.08 1.04 0.02 0.00 -0.36 0.00 0.00 55.97 56.59 1xxf s LYS 159 Cb -0.04 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1xxf s LYS 159 CO -0.16 -0.01 -0.09 0.42 -0.36 0.00 0.00 175.35 175.15 1xxf s ILE 160 N 1.00 0.81 0.18 5.43 -1.09 -0.78 -4.98 121.20 121.77 1xxf s ILE 160 Ca 0.41 -0.37 -0.30 0.00 -2.23 0.00 0.00 60.65 58.17 1xxf s ILE 160 Cb -0.18 -0.72 -0.08 0.00 -1.58 0.00 0.00 42.46 39.90 1xxf s ILE 160 CO 0.20 0.25 1.07 -2.84 -1.23 0.00 0.00 174.94 172.40 1xxf s PRO 161 N 0.22 4.63 0.78 2.79 0.02 -1.26 -4.38 135.00 137.80 1xxf s PRO 161 Ca -0.04 1.68 -0.10 0.00 0.02 0.00 0.00 61.00 62.56 1xxf s PRO 161 Cb -0.09 -3.28 0.06 0.00 0.02 0.00 0.00 34.50 31.21 1xxf s PRO 161 CO 0.01 0.14 1.09 -0.51 -0.33 0.00 0.00 177.00 177.40 1xxf s LEU 162 N -0.50 3.01 -0.05 -5.54 1.43 -1.26 -1.19 118.68 114.58 1xxf s LEU 162 Ca 0.48 1.83 0.02 0.00 -1.03 0.00 0.00 54.13 55.43 1xxf s LEU 162 Cb -0.29 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.44 1xxf s LEU 162 CO 0.35 -2.08 -0.09 -0.69 0.23 0.00 0.00 176.35 174.06 1xxf s VAL 163 N -2.90 0.87 0.71 -1.59 1.01 -0.48 -4.75 120.40 113.27 1xxf s VAL 163 Ca 0.61 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 1xxf s VAL 163 Cb -0.17 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.41 1xxf s VAL 163 CO 0.56 0.29 1.14 0.35 0.00 0.00 0.00 175.10 177.44 1xxf n THR 164 N 3.74 3.47 -0.19 3.92 -2.24 -1.26 -4.22 114.28 117.50 1xxf n THR 164 Ca -0.23 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1xxf n THR 164 Cb 0.52 -1.27 0.25 0.00 -2.10 0.00 0.00 70.33 67.73 1xxf n THR 164 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1xxf h ASN 165 N -0.09 0.82 0.50 3.42 -1.24 -1.96 0.18 115.58 117.22 1xxf h ASN 165 Ca -0.48 -0.04 -0.02 0.00 0.71 0.00 0.00 56.30 56.46 1xxf h ASN 165 Cb 1.33 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 40.17 1xxf h ASN 165 CO 0.49 0.63 -0.30 -0.08 -1.29 0.00 0.00 177.43 176.88 1xxf h GLU 166 N 0.95 -0.73 -0.76 6.67 4.57 -1.96 0.22 114.58 123.54 1xxf h GLU 166 Ca 0.25 0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.43 1xxf h GLU 166 Cb -0.04 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 1xxf h GLU 166 CO -0.05 -0.49 0.28 0.93 -1.18 0.00 0.00 179.01 178.51 1xxf h GLU 167 N -0.76 1.14 0.06 1.92 4.39 -1.83 -2.52 114.58 116.97 1xxf h GLU 167 Ca -0.06 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.44 1xxf h GLU 167 Cb 0.62 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1xxf h GLU 167 CO 0.07 0.94 -0.16 0.00 -1.16 0.00 0.00 179.01 178.70 1xxf h GLN 169 N -0.29 0.42 0.00 0.00 5.75 -0.83 -1.06 115.11 119.09 1xxf h GLN 169 Ca 0.03 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 1xxf h GLN 169 Cb 0.33 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 1xxf h GLN 169 CO -0.11 0.28 -0.24 0.87 -2.65 0.00 0.00 178.83 176.98 1xxf h LYS 170 N 0.43 0.00 -0.10 1.69 1.57 -0.94 -2.02 116.57 117.20 1xxf h LYS 170 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1xxf h LYS 170 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1xxf h LYS 170 CO -0.08 0.24 0.00 0.54 -0.57 0.00 0.00 179.45 179.58 1xxf n ARG 171 N -3.71 2.08 -2.79 3.15 1.74 -0.44 -4.26 116.66 112.43 1xxf n ARG 171 Ca -0.01 -1.59 -0.12 0.00 -0.77 0.00 0.00 57.85 55.36 1xxf n ARG 171 Cb 0.35 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.34 1xxf n ARG 171 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1xxf n TYR 172 N 0.89 1.01 -0.15 -1.55 4.02 -0.79 -4.93 117.16 115.67 1xxf n TYR 172 Ca 0.17 -3.06 0.06 0.00 -0.01 0.00 0.00 57.90 55.06 1xxf n TYR 172 Cb 0.49 -0.38 0.37 0.00 -0.02 0.00 0.00 39.34 39.80 1xxf n TYR 172 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xxf h ARG 173 N 2.99 0.69 0.00 -0.72 -0.00 -1.66 -0.61 114.38 115.06 1xxf h ARG 173 Ca -0.04 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.40 1xxf h ARG 173 Cb 1.12 -0.15 0.00 0.00 0.00 0.00 0.00 29.97 30.93 1xxf h ARG 173 CO 0.51 0.45 0.00 0.41 0.00 0.00 0.00 179.97 181.35 1xxf n GLY 173 N -1.46 -0.75 3.25 0.04 0.00 -1.26 -4.80 105.19 100.21 1xxf n GLY 173 Ca 0.09 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1xxf n GLY 173 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xxf s HIS 174 N -2.00 1.26 -0.42 1.61 3.76 -0.24 -5.12 115.29 114.14 1xxf s HIS 174 Ca 0.28 -1.01 -0.09 0.00 -0.15 0.00 0.00 55.06 54.09 1xxf s HIS 174 Cb 0.13 -0.72 0.09 0.00 1.11 0.00 0.00 32.58 33.19 1xxf s HIS 174 CO 0.21 -0.19 0.26 0.21 -0.85 0.00 0.00 174.74 174.39 1xxf s LYS 175 N -3.91 2.54 -0.67 1.40 2.47 -1.26 -4.93 119.74 115.39 1xxf s LYS 175 Ca 0.25 -1.53 -0.21 0.00 -1.56 0.00 0.00 55.97 52.92 1xxf s LYS 175 Cb 0.06 -3.78 0.09 0.00 -1.46 0.00 0.00 37.83 32.74 1xxf s LYS 175 CO 0.05 -0.99 0.91 0.42 0.16 0.00 0.00 175.35 175.89 1xxf s ILE 176 N 1.39 4.51 0.88 5.43 -1.09 -1.26 -4.92 121.20 126.15 1xxf s ILE 176 Ca 0.04 -0.68 -0.13 0.00 -2.23 0.00 0.00 60.65 57.64 1xxf s ILE 176 Cb -0.23 -4.64 0.12 0.00 -1.58 0.00 0.00 42.46 36.13 1xxf s ILE 176 CO 0.01 -1.37 1.18 0.42 -1.23 0.00 0.00 174.94 173.95 1xxf s THR 177 N 3.50 1.99 -0.59 2.92 -4.23 -1.26 -4.92 115.64 113.05 1xxf s THR 177 Ca 0.20 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.93 1xxf s THR 177 Cb -0.18 -2.89 0.22 0.00 1.34 0.00 0.00 72.50 70.99 1xxf s THR 177 CO 0.07 0.00 1.66 1.57 -0.54 0.00 0.00 174.62 177.37 1xxf n HIS 178 N -3.59 0.64 1.32 3.99 -0.00 -1.26 -2.01 115.22 114.31 1xxf n HIS 178 Ca 0.09 0.25 0.14 0.00 0.46 0.00 0.00 57.72 58.65 1xxf n HIS 178 Cb 0.60 -0.90 0.70 0.00 -0.12 0.00 0.00 29.99 30.27 1xxf n HIS 178 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1xxf n LYS 179 N -2.08 0.41 -4.36 1.57 4.76 -1.26 -4.83 118.16 112.37 1xxf n LYS 179 Ca 0.02 0.02 -0.24 0.00 -2.87 0.00 0.00 58.31 55.25 1xxf n LYS 179 Cb 0.22 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.82 1xxf n LYS 179 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1xxf s MET 180 N -2.55 2.04 -0.09 1.97 -1.94 -0.85 -1.08 119.30 116.80 1xxf s MET 180 Ca 0.27 -1.61 -0.04 0.00 -1.71 0.00 0.00 55.69 52.60 1xxf s MET 180 Cb 0.19 -1.98 0.04 0.00 2.01 0.00 0.00 34.83 35.09 1xxf s MET 180 CO 0.42 0.30 0.20 -1.50 -0.01 0.00 0.00 175.02 174.43 1xxf s ILE 181 N -2.43 -0.04 0.24 2.53 2.07 0.18 -4.65 121.20 119.10 1xxf s ILE 181 Ca 0.32 0.15 0.07 0.00 -1.41 0.00 0.00 60.65 59.78 1xxf s ILE 181 Cb -0.05 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 42.19 1xxf s ILE 181 CO 0.18 0.06 0.15 0.00 -1.91 0.00 0.00 174.94 173.42 1xxf s ALA 183 N -2.09 -1.51 -0.08 0.00 0.00 -0.76 -1.38 121.76 115.94 1xxf s ALA 183 Ca 0.32 1.83 -0.31 0.00 0.00 0.00 0.00 51.96 53.80 1xxf s ALA 183 Cb -0.08 -1.07 0.12 0.00 0.00 0.00 0.00 23.12 22.08 1xxf s ALA 183 CO 0.24 -0.30 1.38 0.20 0.00 0.00 0.00 175.76 177.28 1xxf s GLY 184 N 0.75 -0.31 -0.09 0.00 0.00 -0.34 -0.92 107.32 106.42 1xxf s GLY 184 Ca -0.03 0.44 -0.01 0.00 0.00 0.00 0.00 44.72 45.12 1xxf s GLY 184 CO -0.06 4.21 -0.04 -0.19 0.00 0.00 0.00 173.10 177.02 1xxf s TYR 184 N -2.03 3.02 0.57 1.90 2.02 -1.26 -4.19 117.35 117.38 1xxf s TYR 184 Ca 0.25 0.03 0.28 0.00 -0.37 0.00 0.00 57.07 57.26 1xxf s TYR 184 Cb 0.03 -1.77 1.50 0.00 -0.40 0.00 0.00 41.96 41.32 1xxf s TYR 184 CO -0.04 0.32 1.98 -0.09 -1.57 0.00 0.00 175.55 176.15 1xxf h ARG 185 N 5.43 0.00 -0.14 -0.62 2.43 -1.98 0.34 114.38 119.83 1xxf h ARG 185 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1xxf h ARG 185 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1xxf h ARG 185 CO 0.54 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 179.39 1xxf n GLU 186 N -3.95 1.89 0.00 0.20 -0.58 -1.26 -3.11 120.64 113.84 1xxf n GLU 186 Ca 0.07 -1.81 0.00 0.00 -0.42 0.00 0.00 57.16 55.00 1xxf n GLU 186 Cb 0.56 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 1xxf n GLU 186 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xxf n GLY 187 N 1.12 -0.28 0.93 0.62 0.00 0.12 -4.57 105.19 103.12 1xxf n GLY 187 Ca 0.13 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1xxf n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxf n GLY 188 N 0.00 2.64 3.19 -0.02 0.00 -0.97 -4.57 105.19 105.46 1xxf n GLY 188 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1xxf n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxf s LYS 188 N 0.00 2.82 -0.00 1.61 1.02 -1.25 -2.96 119.74 120.98 1xxf s LYS 188 Ca 0.00 -0.80 -0.28 0.00 0.02 0.00 0.00 55.97 54.90 1xxf s LYS 188 Cb 0.00 -2.15 0.10 0.00 -0.52 0.00 0.00 37.83 35.26 1xxf s LYS 188 CO 0.00 0.16 1.27 0.34 -0.92 0.00 0.00 175.35 176.19 1xxf s ASP 189 N 0.39 -0.01 0.33 2.83 2.15 -0.19 -4.57 116.67 117.61 1xxf s ASP 189 Ca -0.18 -0.22 -0.00 0.00 0.43 0.00 0.00 52.55 52.57 1xxf s ASP 189 Cb -0.18 0.18 -0.04 0.00 -0.30 0.00 0.00 42.92 42.59 1xxf s ASP 189 CO 0.08 -0.35 0.54 0.00 -0.17 0.00 0.00 175.17 175.28 1xxf s ALA 190 N -2.14 3.69 0.07 3.66 0.00 -1.26 0.11 121.76 125.88 1xxf s ALA 190 Ca 0.25 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.35 1xxf s ALA 190 Cb 0.01 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1xxf s ALA 190 CO -0.01 0.03 0.09 0.00 0.00 0.00 0.00 175.76 175.88 1xxf n LYS 192 N -0.12 1.02 0.00 0.00 5.02 -1.26 -1.25 118.16 121.57 1xxf n LYS 192 Ca 0.00 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1xxf n LYS 192 Cb 0.12 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 1xxf n LYS 192 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xxf n GLY 193 N 4.76 0.84 0.46 0.72 0.00 -1.26 0.28 105.19 110.99 1xxf n GLY 193 Ca 0.31 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.44 1xxf n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xxf n ASP 194 N 0.00 1.89 -4.58 1.61 8.00 -0.38 -3.84 116.55 119.26 1xxf n ASP 194 Ca 0.00 -1.43 -0.38 0.00 0.71 0.00 0.00 54.79 53.69 1xxf n ASP 194 Cb 0.00 0.43 0.04 0.00 -0.02 0.00 0.00 41.12 41.57 1xxf n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1xxf n SER 195 N -0.11 0.41 0.00 -2.24 7.64 -1.26 -0.00 113.62 118.06 1xxf n SER 195 Ca 0.10 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1xxf n SER 195 Cb 0.45 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1xxf n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xxf n GLY 196 N 1.39 2.87 3.56 0.23 0.00 -0.85 0.16 105.19 112.55 1xxf n GLY 196 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1xxf n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxf n GLY 197 N -1.28 -0.83 3.88 -0.02 0.00 1.00 -3.52 105.19 104.42 1xxf n GLY 197 Ca 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1xxf n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xxf s PRO 198 N -2.89 3.75 -0.67 1.61 0.04 -1.26 -1.17 135.00 134.40 1xxf s PRO 198 Ca 0.72 0.31 0.05 0.00 0.04 0.00 0.00 61.00 62.12 1xxf s PRO 198 Cb -0.37 -2.51 0.21 0.00 0.04 0.00 0.00 34.50 31.86 1xxf s PRO 198 CO 0.52 0.10 0.61 -0.11 0.04 0.00 0.00 177.00 178.17 1xxf n LEU 198 N -0.95 3.35 -4.77 -3.56 7.94 0.58 -3.86 117.00 115.72 1xxf n LEU 198 Ca 0.01 -5.32 -0.38 0.00 -1.11 0.00 0.00 56.01 49.21 1xxf n LEU 198 Cb 0.54 -0.70 -0.03 0.00 0.53 0.00 0.00 43.42 43.75 1xxf n LEU 198 CO 0.47 1.90 0.78 -0.44 -1.11 0.00 0.00 177.39 178.99 1xxf s SER 198 N -1.94 6.78 -0.07 1.96 0.01 -0.95 -2.39 113.70 117.11 1xxf s SER 198 Ca 0.32 2.20 -0.01 0.00 1.31 0.00 0.00 55.95 59.76 1xxf s SER 198 Cb 0.05 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.70 1xxf s SER 198 CO -0.10 -0.48 0.01 0.00 0.41 0.00 0.00 173.24 173.08 1xxf s LYS 202 N 1.94 3.60 -0.22 0.00 2.20 0.19 -2.61 119.74 124.84 1xxf s LYS 202 Ca 0.04 1.03 -0.02 0.00 -0.36 0.00 0.00 55.97 56.67 1xxf s LYS 202 Cb -0.12 -4.02 0.07 0.00 -1.51 0.00 0.00 37.83 32.24 1xxf s LYS 202 CO -0.05 -1.53 0.04 -1.58 -0.36 0.00 0.00 175.35 171.87 1xxf s HIS 202 N 5.40 1.34 -0.57 4.03 2.46 0.02 -4.31 115.29 123.66 1xxf s HIS 202 Ca 0.62 -1.15 -0.03 0.00 0.47 0.00 0.00 55.06 54.97 1xxf s HIS 202 Cb -0.15 -1.23 0.00 0.00 -0.13 0.00 0.00 32.58 31.07 1xxf s HIS 202 CO 0.31 -0.69 0.36 0.09 -2.47 0.00 0.00 174.74 172.34 1xxf n ASN 202 N 4.96 -3.55 -0.15 9.88 5.03 -1.26 -3.06 115.26 127.11 1xxf n ASN 202 Ca -0.08 -0.16 -0.02 0.00 0.87 0.00 0.00 54.58 55.18 1xxf n ASN 202 Cb 0.46 -2.27 -0.01 0.00 -1.02 0.00 0.00 39.78 36.94 1xxf n ASN 202 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1xxf n GLU 202 N -2.16 -0.78 -4.60 3.52 -0.58 -1.26 -5.01 120.64 109.77 1xxf n GLU 202 Ca -0.02 0.34 -0.23 0.00 -0.42 0.00 0.00 57.16 56.83 1xxf n GLU 202 Cb 0.54 -4.02 -0.14 0.00 -0.57 0.00 0.00 31.44 27.24 1xxf n GLU 202 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1xxf s VAL 202 N -1.75 1.37 0.04 2.62 1.01 -1.17 -5.11 120.40 117.40 1xxf s VAL 202 Ca 0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 1xxf s VAL 202 Cb 0.00 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 1xxf s VAL 202 CO 0.00 0.20 0.52 0.26 0.00 0.00 0.00 175.10 176.07 1xxf s TRP 203 N -0.67 3.77 -0.00 5.22 0.52 -1.26 -0.80 118.94 125.72 1xxf s TRP 203 Ca 0.05 1.18 0.05 0.00 0.02 0.00 0.00 56.10 57.39 1xxf s TRP 203 Cb -0.08 -2.43 -0.01 0.00 -1.15 0.00 0.00 33.47 29.80 1xxf s TRP 203 CO 0.01 0.59 -0.15 -1.01 0.02 0.00 0.00 176.95 176.42 1xxf s HIS 204 N -1.04 1.30 -1.07 -1.98 3.76 -1.07 -3.00 115.29 112.18 1xxf s HIS 204 Ca 0.27 -0.26 -0.19 0.00 -0.15 0.00 0.00 55.06 54.74 1xxf s HIS 204 Cb -0.18 -0.83 0.11 0.00 1.11 0.00 0.00 32.58 32.78 1xxf s HIS 204 CO 0.17 -0.01 1.38 -1.17 -0.85 0.00 0.00 174.74 174.26 1xxf s LEU 209 N -0.44 4.40 0.01 0.89 2.96 -0.72 -1.59 118.68 124.20 1xxf s LEU 209 Ca 0.05 -2.13 -0.20 0.00 -0.22 0.00 0.00 54.13 51.63 1xxf s LEU 209 Cb -0.06 -2.48 -0.22 0.00 0.50 0.00 0.00 46.19 43.94 1xxf s LEU 209 CO -0.00 -1.15 1.13 0.58 -1.32 0.00 0.00 176.35 175.59 1xxf h VAL 210 N 5.84 1.43 -4.38 1.68 2.07 -1.82 -3.40 116.25 117.67 1xxf h VAL 210 Ca 0.25 -1.95 -0.23 0.00 0.82 0.00 0.00 66.70 65.59 1xxf h VAL 210 Cb 0.96 2.49 -0.15 0.00 -1.52 0.00 0.00 31.29 33.08 1xxf h VAL 210 CO 1.29 0.57 -0.64 -0.83 0.02 0.00 0.00 177.57 177.97 1xxf s GLY 211 N -3.97 1.23 -0.11 2.17 0.00 -1.16 -1.49 107.32 104.00 1xxf s GLY 211 Ca -0.14 -1.60 0.01 0.00 0.00 0.00 0.00 44.72 42.99 1xxf s GLY 211 CO 0.80 -1.41 -0.11 -0.42 0.00 0.00 0.00 173.10 171.96 1xxf s ILE 212 N -4.03 1.25 -0.04 0.90 1.01 -0.84 -0.30 121.20 119.14 1xxf s ILE 212 Ca 0.31 -0.47 -0.38 0.00 0.00 0.00 0.00 60.65 60.11 1xxf s ILE 212 Cb 0.07 -1.19 -0.16 0.00 0.01 0.00 0.00 42.46 41.19 1xxf s ILE 212 CO 0.07 0.40 1.47 0.41 0.00 0.00 0.00 174.94 177.29 1xxf n THR 213 N 4.51 0.10 0.10 2.92 -1.04 -0.32 -1.21 114.28 119.35 1xxf n THR 213 Ca -0.17 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1xxf n THR 213 Cb 0.51 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 1xxf n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1xxf n SER 214 N 3.47 0.25 -1.29 8.00 2.88 -1.14 -2.01 113.62 123.78 1xxf n SER 214 Ca 0.21 0.34 -0.01 0.00 -1.33 0.00 0.00 58.87 58.08 1xxf n SER 214 Cb 0.17 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1xxf n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1xxf n TRP 215 N -3.40 -1.10 0.00 0.66 4.27 -1.04 -4.91 117.44 111.91 1xxf n TRP 215 Ca 0.00 -0.26 0.00 0.00 -3.89 0.00 0.00 57.50 53.35 1xxf n TRP 215 Cb 0.00 0.13 0.00 0.00 -1.36 0.00 0.00 31.31 30.08 1xxf n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1xxf n GLY 216 N -0.09 2.64 3.56 -1.67 0.00 -1.26 -0.88 105.19 107.49 1xxf n GLY 216 Ca -0.01 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 1xxf n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xxf s GLU 217 N -2.00 3.21 3.16 1.61 2.12 -1.26 -4.80 118.70 120.75 1xxf s GLU 217 Ca 0.00 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.77 1xxf s GLU 217 Cb 0.00 -4.88 0.00 0.00 0.26 0.00 0.00 34.13 29.51 1xxf s GLU 217 CO 0.00 -2.43 0.00 0.41 -0.54 0.00 0.00 175.26 172.70 1xxf n GLY 218 N 6.33 -0.29 2.93 -1.50 0.00 -1.26 -4.67 105.19 106.73 1xxf n GLY 218 Ca 0.24 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 1xxf n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxf n ALA 220 N 5.34 -1.03 -2.01 0.00 0.00 -1.26 -4.91 120.51 116.64 1xxf n ALA 220 Ca -0.06 0.32 -0.28 0.00 0.00 0.00 0.00 53.44 53.42 1xxf n ALA 220 Cb 0.50 -4.31 0.04 0.00 0.00 0.00 0.00 19.45 15.67 1xxf n ALA 220 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xxf s GLN 221 N -5.88 2.86 -0.13 0.00 -0.21 -1.26 -2.29 119.66 112.74 1xxf s GLN 221 Ca 0.40 0.15 -0.30 0.00 0.02 0.00 0.00 55.36 55.63 1xxf s GLN 221 Cb -0.18 -2.18 -0.07 0.00 1.00 0.00 0.00 33.01 31.58 1xxf s GLN 221 CO 0.49 -0.85 2.11 0.54 -2.12 0.00 0.00 175.29 175.47 1xxf n ARG 222 N -2.75 2.22 -3.45 2.91 1.74 -1.26 -2.43 116.66 113.64 1xxf n ARG 222 Ca 0.05 0.71 -0.24 0.00 -0.77 0.00 0.00 57.85 57.60 1xxf n ARG 222 Cb 0.58 -3.05 0.05 0.00 -1.02 0.00 0.00 32.46 29.01 1xxf n ARG 222 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1xxf n GLU 223 N 8.13 -6.29 -3.46 5.56 -0.58 -1.18 -4.94 120.64 117.88 1xxf n GLU 223 Ca 0.27 0.80 -0.26 0.00 -0.42 0.00 0.00 57.16 57.54 1xxf n GLU 223 Cb 0.40 -5.74 -0.09 0.00 -0.57 0.00 0.00 31.44 25.44 1xxf n GLU 223 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1xxf n ARG 224 N -4.56 1.14 -1.79 3.49 5.12 -1.02 -4.85 116.66 114.19 1xxf n ARG 224 Ca -0.03 -3.77 -0.40 0.00 -1.93 0.00 0.00 57.85 51.73 1xxf n ARG 224 Cb 0.57 -1.80 0.02 0.00 -1.16 0.00 0.00 32.46 30.10 1xxf n ARG 224 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1xxf s PRO 225 N -1.10 3.58 0.41 5.56 0.04 -1.26 -4.30 135.00 137.93 1xxf s PRO 225 Ca 0.33 2.40 -0.24 0.00 0.04 0.00 0.00 61.00 63.52 1xxf s PRO 225 Cb 0.08 -2.59 -0.08 0.00 0.04 0.00 0.00 34.50 31.95 1xxf s PRO 225 CO -0.13 -0.89 1.14 0.20 0.04 0.00 0.00 177.00 177.35 1xxf s GLY 226 N -0.57 2.82 -0.25 0.56 0.00 -0.09 -4.72 107.32 105.06 1xxf s GLY 226 Ca 0.63 0.90 -0.10 0.00 0.00 0.00 0.00 44.72 46.15 1xxf s GLY 226 CO 0.55 1.38 0.14 0.14 0.00 0.00 0.00 173.10 175.31 1xxf s VAL 227 N -1.50 4.99 0.26 1.40 1.01 -0.06 -1.83 120.40 124.68 1xxf s VAL 227 Ca 0.59 0.06 0.11 0.00 0.00 0.00 0.00 61.98 62.73 1xxf s VAL 227 Cb -0.28 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1xxf s VAL 227 CO 0.35 0.31 -0.13 -0.31 0.00 0.00 0.00 175.10 175.32 1xxf s TYR 228 N 1.45 2.45 -0.14 5.22 1.51 0.37 -2.49 117.35 125.70 1xxf s TYR 228 Ca 0.06 -0.29 -0.29 0.00 -1.01 0.00 0.00 57.07 55.55 1xxf s TYR 228 Cb -0.15 -1.09 -0.01 0.00 -0.11 0.00 0.00 41.96 40.61 1xxf s TYR 228 CO 0.07 0.66 1.00 0.99 -1.11 0.00 0.00 175.55 177.15 1xxf s THR 229 N -2.34 4.77 -0.83 -0.71 2.01 -0.35 0.50 115.64 118.69 1xxf s THR 229 Ca 0.30 2.00 -0.25 0.00 0.31 0.00 0.00 61.69 64.04 1xxf s THR 229 Cb -0.06 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 1xxf s THR 229 CO 0.16 -0.04 1.84 0.21 -0.69 0.00 0.00 174.62 176.11 1xxf s ASN 230 N 1.13 5.37 0.18 3.53 3.84 -0.24 -2.00 114.94 126.75 1xxf s ASN 230 Ca 0.46 -0.48 -0.14 0.00 0.21 0.00 0.00 52.86 52.91 1xxf s ASN 230 Cb -0.17 -2.55 0.15 0.00 -0.55 0.00 0.00 41.25 38.12 1xxf s ASN 230 CO 0.14 -2.47 1.71 0.58 -2.79 0.00 0.00 177.10 174.27 1xxf h VAL 231 N 7.05 0.72 -1.12 -5.21 2.07 -1.51 -2.33 116.25 115.91 1xxf h VAL 231 Ca -0.01 -0.06 0.32 0.00 0.82 0.00 0.00 66.70 67.78 1xxf h VAL 231 Cb 1.05 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1xxf h VAL 231 CO 1.24 0.03 0.93 1.62 0.02 0.00 0.00 177.57 181.42 1xxf h VAL 232 N 0.18 0.25 0.00 2.57 3.04 -1.83 0.74 116.25 121.21 1xxf h VAL 232 Ca 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.91 1xxf h VAL 232 Cb 0.30 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 1xxf h VAL 232 CO -0.32 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 175.62 1xxf n GLU 233 N -3.85 0.95 -0.08 4.17 -0.58 -0.88 -3.23 120.64 117.14 1xxf n GLU 233 Ca 0.24 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.99 1xxf n GLU 233 Cb 1.30 -1.34 0.01 0.00 -0.57 0.00 0.00 31.44 30.84 1xxf n GLU 233 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1xxf n TYR 234 N -0.84 0.00 -0.12 -0.32 4.01 0.26 -4.88 117.16 115.27 1xxf n TYR 234 Ca 0.15 -0.18 -0.06 0.00 -0.16 0.00 0.00 57.90 57.66 1xxf n TYR 234 Cb 0.07 -0.03 0.01 0.00 -0.31 0.00 0.00 39.34 39.08 1xxf n TYR 234 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1xxf h VAL 235 N 2.76 0.37 -0.00 -0.72 3.04 -1.50 0.23 116.25 120.43 1xxf h VAL 235 Ca 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.60 1xxf h VAL 235 Cb 0.95 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 1xxf h VAL 235 CO 0.00 0.00 -0.42 0.44 -1.01 0.00 0.00 177.57 176.58 1xxf h ASP 236 N -0.15 0.00 0.05 3.17 3.32 -1.90 -0.83 116.42 120.09 1xxf h ASP 236 Ca 0.20 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1xxf h ASP 236 Cb 0.45 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1xxf h ASP 236 CO -0.50 0.42 -0.02 -0.25 -1.72 0.00 0.00 179.24 177.17 1xxf h TRP 237 N 0.00 -0.06 -0.09 4.55 7.01 -1.68 -2.34 115.95 123.35 1xxf h TRP 237 Ca -0.00 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.03 1xxf h TRP 237 Cb 0.74 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.77 1xxf h TRP 237 CO 0.00 0.32 -0.19 0.82 -2.79 0.00 0.00 178.44 176.60 1xxf h ILE 238 N -0.45 0.53 -0.98 2.65 2.04 -0.34 -1.64 117.51 119.31 1xxf h ILE 238 Ca -0.01 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.99 1xxf h ILE 238 Cb 0.41 0.53 -0.09 0.00 -0.74 0.00 0.00 36.82 36.93 1xxf h ILE 238 CO 0.01 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.71 1xxf h LEU 239 N -0.26 0.85 -0.09 1.44 3.38 -1.15 -0.91 115.31 118.56 1xxf h LEU 239 Ca 0.09 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1xxf h LEU 239 Cb 0.38 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xxf h LEU 239 CO -0.24 0.42 -0.08 -0.33 0.09 0.00 0.00 178.44 178.30 1xxf h GLU 240 N 0.89 0.21 -0.27 1.13 4.39 -0.85 -2.28 114.58 117.80 1xxf h GLU 240 Ca 0.50 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 60.03 1xxf h GLU 240 Cb 0.62 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1xxf h GLU 240 CO -0.27 0.63 -0.11 0.87 -1.16 0.00 0.00 179.01 178.96 1xxf h LYS 241 N -0.20 0.44 0.00 2.33 1.79 -0.88 -2.65 116.57 117.39 1xxf h LYS 241 Ca 0.02 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1xxf h LYS 241 Cb 0.58 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1xxf h LYS 241 CO 0.02 0.55 -0.26 0.25 -1.08 0.00 0.00 179.45 178.93 1xxf n THR 242 N -4.23 0.02 -1.27 -0.16 -2.24 -0.39 -3.76 114.28 102.25 1xxf n THR 242 Ca 0.00 -0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.80 1xxf n THR 242 Cb 0.30 -0.12 0.21 0.00 -2.10 0.00 0.00 70.33 68.62 1xxf n THR 242 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xxf n GLN 243 N -1.52 2.08 0.00 -0.78 6.02 -0.86 -5.07 117.38 117.25 1xxf n GLN 243 Ca 0.06 -3.01 0.00 0.00 -0.01 0.00 0.00 57.00 54.05 1xxf n GLN 243 Cb 0.34 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.83 1xxf n GLN 243 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05