#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tub n ARG 2 N 0.00 2.11 -1.22 0.03 1.74 -1.09 -2.47 116.66 115.76 1tub n ARG 2 Ca 0.00 -1.63 -0.33 0.00 -0.77 0.00 0.00 57.85 55.11 1tub n ARG 2 Cb 0.00 -1.97 0.11 0.00 -1.02 0.00 0.00 32.46 29.58 1tub n ARG 2 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1tub s GLU 3 N -0.60 1.83 0.26 5.56 2.02 0.18 -4.39 118.70 123.56 1tub s GLU 3 Ca 0.56 1.71 0.06 0.00 0.02 0.00 0.00 54.97 57.32 1tub s GLU 3 Cb 0.32 -1.80 -0.03 0.00 0.10 0.00 0.00 34.13 32.72 1tub s GLU 3 CO -0.11 -2.06 0.33 0.00 0.02 0.00 0.00 175.26 173.44 1tub s ILE 5 N -2.07 1.85 -0.29 0.00 1.01 0.18 -4.64 121.20 117.23 1tub s ILE 5 Ca 0.36 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 1tub s ILE 5 Cb -0.09 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 1tub s ILE 5 CO 0.28 0.51 0.10 -0.94 0.00 0.00 0.00 174.94 174.89 1tub s SER 6 N 0.73 5.24 -0.07 3.58 1.04 -1.25 0.75 113.70 123.72 1tub s SER 6 Ca -0.10 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 55.85 1tub s SER 6 Cb -0.16 -1.93 -0.02 0.00 0.10 0.00 0.00 66.02 64.01 1tub s SER 6 CO 0.01 -0.15 -0.18 -0.63 0.98 0.00 0.00 173.24 173.28 1tub s ILE 7 N 1.57 2.72 0.42 -1.02 1.01 0.64 0.22 121.20 126.75 1tub s ILE 7 Ca 0.04 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 59.94 1tub s ILE 7 Cb -0.16 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.25 1tub s ILE 7 CO 0.04 0.57 0.54 -1.00 0.00 0.00 0.00 174.94 175.09 1tub s HIS 8 N -0.34 2.81 0.00 3.97 3.76 -0.07 -2.09 115.29 123.32 1tub s HIS 8 Ca 0.03 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1tub s HIS 8 Cb -0.13 -2.34 0.00 0.00 1.11 0.00 0.00 32.58 31.22 1tub s HIS 8 CO 0.02 -0.37 0.00 0.28 -0.85 0.00 0.00 174.74 173.82 1tub n VAL 9 N -1.81 0.00 -3.89 -0.90 0.31 -1.15 -3.97 118.33 106.92 1tub n VAL 9 Ca 0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.32 1tub n VAL 9 Cb 0.59 -0.34 -0.02 0.00 -0.91 0.00 0.00 33.84 33.17 1tub n VAL 9 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1tub s GLY 10 N -4.13 0.28 0.12 2.92 0.00 -1.26 -4.44 107.32 100.81 1tub s GLY 10 Ca 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 44.72 44.05 1tub s GLY 10 CO 0.00 -0.33 0.69 -0.18 0.00 0.00 0.00 173.10 173.28 1tub n GLN 11 N -0.47 -0.05 -0.28 2.90 -0.06 -1.26 1.26 117.38 119.42 1tub n GLN 11 Ca -0.04 0.69 0.03 0.00 -2.00 0.00 0.00 57.00 55.68 1tub n GLN 11 Cb 0.60 -1.03 0.17 0.00 -4.06 0.00 0.00 30.24 25.93 1tub n GLN 11 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1tub h ALA 12 N 0.85 1.16 0.06 1.69 0.00 -1.95 -3.01 119.26 118.06 1tub h ALA 12 Ca 0.20 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1tub h ALA 12 Cb 0.32 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1tub h ALA 12 CO -0.45 0.03 -0.39 0.78 0.00 0.00 0.00 179.25 179.21 1tub h GLY 13 N 0.72 0.18 2.00 0.00 0.00 8.91 -2.42 103.07 112.46 1tub h GLY 13 Ca 0.40 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1tub h GLY 13 CO -0.28 0.38 -0.20 -2.08 0.00 0.00 0.00 176.54 174.36 1tub h VAL 14 N -0.64 1.11 0.01 4.60 2.07 -0.81 -2.13 116.25 120.45 1tub h VAL 14 Ca -0.07 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1tub h VAL 14 Cb 1.28 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1tub h VAL 14 CO 0.07 0.20 -0.00 -0.61 0.02 0.00 0.00 177.57 177.25 1tub h GLN 15 N 0.00 -0.01 -1.27 1.57 5.75 -1.65 -3.10 115.11 116.41 1tub h GLN 15 Ca -0.00 0.00 0.38 0.00 -0.15 0.00 0.00 58.65 58.88 1tub h GLN 15 Cb 0.36 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 28.81 1tub h GLN 15 CO 0.03 0.79 0.84 0.97 -2.65 0.00 0.00 178.83 178.81 1tub h ILE 16 N -0.97 0.28 -0.07 2.39 2.10 -0.93 8.83 117.51 129.15 1tub h ILE 16 Ca -0.00 -0.05 -0.07 0.00 1.08 0.00 0.00 64.86 65.81 1tub h ILE 16 Cb 0.81 0.10 -0.01 0.00 -1.09 0.00 0.00 36.82 36.63 1tub h ILE 16 CO 0.00 0.03 -0.29 1.23 -1.08 0.00 0.00 178.15 178.05 1tub h GLY 17 N 0.16 0.13 2.00 8.18 0.00 -1.43 0.49 103.07 112.60 1tub h GLY 17 Ca 0.72 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.91 1tub h GLY 17 CO -0.29 0.09 -0.24 3.43 0.00 0.00 0.00 176.54 179.54 1tub h ASN 18 N 0.11 0.00 -0.06 0.19 2.35 1.91 10.34 115.58 130.42 1tub h ASN 18 Ca 0.02 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.57 1tub h ASN 18 Cb 0.57 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.95 1tub h ASN 18 CO 0.04 0.24 -0.75 0.00 -1.65 0.00 0.00 177.43 175.31 1tub h ALA 19 N 1.76 0.17 0.49 -0.83 0.00 0.57 -0.24 119.26 121.18 1tub h ALA 19 Ca -0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1tub h ALA 19 Cb 0.43 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1tub h ALA 19 CO 0.03 0.53 -0.24 0.00 0.00 0.00 0.00 179.25 179.57 1tub h TRP 21 N -0.75 0.24 -0.21 0.00 4.06 2.24 -2.12 115.95 119.41 1tub h TRP 21 Ca -0.07 -0.07 -0.10 0.00 2.06 0.00 0.00 58.89 60.72 1tub h TRP 21 Cb 0.55 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 28.66 1tub h TRP 21 CO -0.02 0.60 -0.27 0.93 -3.56 0.00 0.00 178.44 176.12 1tub h GLU 22 N 0.17 0.55 0.00 0.49 5.08 -1.12 -3.27 114.58 116.47 1tub h GLU 22 Ca 0.01 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1tub h GLU 22 Cb 0.83 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1tub h GLU 22 CO 0.06 0.91 -0.06 1.25 -1.00 0.00 0.00 179.01 180.17 1tub h LEU 23 N 0.23 0.00 0.39 1.33 5.85 -1.11 -2.96 115.31 119.03 1tub h LEU 23 Ca 0.03 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1tub h LEU 23 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1tub h LEU 23 CO 0.06 0.06 -0.19 1.88 -0.34 0.00 0.00 178.44 179.92 1tub h TYR 24 N 0.00 -0.48 -4.06 1.25 0.05 -1.44 -3.40 116.97 108.90 1tub h TYR 24 Ca -0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 1tub h TYR 24 Cb 0.22 0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.12 1tub h TYR 24 CO 0.00 -0.30 -0.00 0.00 -1.05 0.00 0.00 178.16 176.81 1tub n LEU 26 N -1.91 0.00 0.00 0.00 4.77 -1.26 -4.95 117.00 113.65 1tub n LEU 26 Ca 0.00 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1tub n LEU 26 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1tub n LEU 26 CO 0.00 0.25 0.00 -0.62 -1.33 0.00 0.00 177.39 175.69 1tub n GLU 27 N 0.00 0.00 -3.13 3.23 1.02 -1.21 -5.04 120.64 115.51 1tub n GLU 27 Ca 0.00 0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 56.97 1tub n GLU 27 Cb 0.69 -2.18 0.05 0.00 -0.02 0.00 0.00 31.44 29.97 1tub n GLU 27 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1tub s HIS 28 N -2.00 1.62 0.15 -0.32 2.46 -1.24 -4.42 115.29 111.54 1tub s HIS 28 Ca 0.00 -0.69 -0.24 0.00 0.47 0.00 0.00 55.06 54.60 1tub s HIS 28 Cb 0.00 -2.20 0.07 0.00 -0.13 0.00 0.00 32.58 30.32 1tub s HIS 28 CO 0.00 -0.98 0.65 0.20 -2.47 0.00 0.00 174.74 172.14 1tub s GLY 29 N -4.58 -0.56 0.17 1.59 0.00 -1.26 -4.68 107.32 98.00 1tub s GLY 29 Ca 0.58 0.51 -0.32 0.00 0.00 0.00 0.00 44.72 45.48 1tub s GLY 29 CO 0.36 0.17 1.75 1.39 0.00 0.00 0.00 173.10 176.77 1tub n ILE 30 N -0.37 0.12 0.00 0.90 5.41 -1.26 -4.22 119.36 119.95 1tub n ILE 30 Ca -0.15 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1tub n ILE 30 Cb 0.64 -1.98 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 1tub n ILE 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1tub n GLN 31 N 4.47 0.00 -0.32 0.38 1.13 -1.26 -4.51 117.38 117.27 1tub n GLN 31 Ca 0.17 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.30 1tub n GLN 31 Cb 0.35 0.00 0.23 0.00 0.11 0.00 0.00 30.24 30.93 1tub n GLN 31 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1tub n PRO 32 N 0.00 3.00 0.00 -1.09 -0.05 -1.26 -4.41 135.00 131.19 1tub n PRO 32 Ca 0.00 -2.40 0.00 0.00 -0.05 0.00 0.00 63.50 61.05 1tub n PRO 32 Cb 0.00 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 31.95 1tub n PRO 32 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 1tub n ASP 33 N 0.63 0.00 -0.08 3.54 5.68 -1.26 -3.82 116.55 121.24 1tub n ASP 33 Ca 0.17 -0.97 0.00 0.00 -0.50 0.00 0.00 54.79 53.50 1tub n ASP 33 Cb 0.60 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1tub n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tub n GLY 34 N 2.12 -0.41 0.00 6.12 0.00 -1.26 -4.85 105.19 106.91 1tub n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1tub n GLY 34 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tub n GLN 35 N -0.39 0.00 -3.59 1.61 6.02 -1.25 -5.13 117.38 114.65 1tub n GLN 35 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.83 1tub n GLN 35 Cb 0.03 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.22 1tub n GLN 35 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1tub s MET 36 N -2.66 0.93 0.01 -1.09 -1.94 -1.26 -4.86 119.30 108.43 1tub s MET 36 Ca 0.00 0.36 0.24 0.00 -1.71 0.00 0.00 55.69 54.59 1tub s MET 36 Cb 0.00 0.44 0.32 0.00 2.01 0.00 0.00 34.83 37.60 1tub s MET 36 CO 0.00 -0.25 1.28 -0.35 -0.01 0.00 0.00 175.02 175.69 1tub n PRO 37 N 1.42 0.04 -2.24 2.03 -0.04 -1.26 -4.87 135.00 130.09 1tub n PRO 37 Ca -0.18 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.02 1tub n PRO 37 Cb 0.56 -1.52 0.10 0.00 -0.04 0.00 0.00 33.50 32.60 1tub n PRO 37 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1tub s SER 38 N -3.15 4.44 0.00 3.54 1.04 -1.26 -4.84 113.70 113.47 1tub s SER 38 Ca 0.10 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1tub s SER 38 Cb 0.17 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 65.53 1tub s SER 38 CO 0.74 -1.83 0.00 0.47 0.98 0.00 0.00 173.24 173.60 1tub n ASP 39 N -3.04 0.00 0.00 7.02 8.00 -1.26 -4.72 116.55 122.55 1tub n ASP 39 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1tub n ASP 39 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1tub n ASP 39 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1tub n LYS 40 N -1.57 0.00 0.00 -1.24 5.02 -1.26 -0.23 118.16 118.87 1tub n LYS 40 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1tub n LYS 40 Cb 0.00 0.00 0.42 0.00 -0.02 0.00 0.00 35.03 35.43 1tub n LYS 40 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1tub n THR 41 N 0.00 0.63 -0.60 -0.18 -1.04 -1.26 -4.84 114.28 107.00 1tub n THR 41 Ca 0.00 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1tub n THR 41 Cb 0.00 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 1tub n THR 41 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1tub n ILE 42 N -1.45 0.00 -0.03 12.58 5.41 0.68 -4.59 119.36 131.96 1tub n ILE 42 Ca 0.06 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.66 1tub n ILE 42 Cb 0.21 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.05 1tub n ILE 42 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1tub h GLY 43 N 0.00 0.40 2.00 7.39 0.00 -1.88 -3.27 103.07 107.71 1tub h GLY 43 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1tub h GLY 43 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 176.54 177.63 1tub n GLY 44 N 0.65 -1.25 0.06 4.60 0.00 -1.26 -3.07 105.19 104.92 1tub n GLY 44 Ca -0.08 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1tub n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tub n GLY 45 N -0.08 -1.17 0.00 -0.02 0.00 -1.23 -4.94 105.19 97.75 1tub n GLY 45 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1tub n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tub n ASP 46 N -1.82 0.00 -3.94 1.61 8.00 -1.17 -4.88 116.55 114.34 1tub n ASP 46 Ca 0.03 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.23 1tub n ASP 46 Cb 0.22 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.16 1tub n ASP 46 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1tub s ASP 47 N 0.00 3.40 -0.68 -2.24 1.01 -1.26 -4.83 116.67 112.08 1tub s ASP 47 Ca 0.00 -0.93 -0.11 0.00 0.71 0.00 0.00 52.55 52.22 1tub s ASP 47 Cb 0.00 -1.12 0.17 0.00 1.01 0.00 0.00 42.92 42.99 1tub s ASP 47 CO 0.00 -0.19 0.58 -0.94 0.21 0.00 0.00 175.17 174.83 1tub s SER 48 N 1.47 6.18 0.79 0.27 1.04 -1.26 -4.97 113.70 117.21 1tub s SER 48 Ca -0.02 -2.43 0.00 0.00 0.48 0.00 0.00 55.95 53.97 1tub s SER 48 Cb -0.17 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1tub s SER 48 CO -0.07 -0.60 0.00 0.49 0.98 0.00 0.00 173.24 174.03 1tub n PHE 49 N 4.26 0.00 0.00 5.02 3.72 -1.26 -4.53 117.46 124.67 1tub n PHE 49 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1tub n PHE 49 Cb 0.43 0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1tub n PHE 49 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1tub n ASN 50 N -0.17 0.00 0.00 4.37 3.02 -1.26 -5.07 115.26 116.15 1tub n ASN 50 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1tub n ASN 50 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1tub n ASN 50 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1tub n THR 51 N 0.00 0.00 -1.66 3.41 -1.04 -1.26 -5.10 114.28 108.64 1tub n THR 51 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1tub n THR 51 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1tub n THR 51 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1tub n PHE 52 N 1.60 1.90 -1.03 -1.42 3.01 -1.26 -4.35 117.46 115.90 1tub n PHE 52 Ca 0.00 0.61 0.05 0.00 1.01 0.00 0.00 57.45 59.12 1tub n PHE 52 Cb 0.00 -2.35 -0.03 0.00 -0.01 0.00 0.00 39.48 37.09 1tub n PHE 52 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1tub n PHE 53 N 0.27 -2.81 -3.86 1.38 -0.00 -1.25 -4.77 117.46 106.43 1tub n PHE 53 Ca 0.07 1.54 -0.27 0.00 -0.00 0.00 0.00 57.45 58.78 1tub n PHE 53 Cb 0.35 -2.53 -0.17 0.00 -0.00 0.00 0.00 39.48 37.13 1tub n PHE 53 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1tub s SER 54 N -5.32 2.58 0.14 -2.13 1.04 -1.26 -4.81 113.70 103.95 1tub s SER 54 Ca 0.00 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 55.89 1tub s SER 54 Cb 0.00 -0.81 -0.08 0.00 0.10 0.00 0.00 66.02 65.23 1tub s SER 54 CO 0.00 -0.19 1.32 -0.33 0.98 0.00 0.00 173.24 175.03 1tub h GLU 55 N 8.17 0.21 -0.19 4.02 5.08 -1.89 -3.03 114.58 126.95 1tub h GLU 55 Ca -0.24 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 57.89 1tub h GLU 55 Cb 1.12 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1tub h GLU 55 CO 0.38 1.02 0.13 1.79 -1.00 0.00 0.00 179.01 181.32 1tub h THR 56 N 0.10 1.00 -2.38 1.13 1.35 -1.87 -3.42 112.91 108.82 1tub h THR 56 Ca -0.06 -0.06 -0.55 0.00 -0.55 0.00 0.00 66.41 65.19 1tub h THR 56 Cb 1.61 0.81 -0.14 0.00 -1.73 0.00 0.00 68.15 68.71 1tub h THR 56 CO 0.15 0.03 -0.72 -0.83 -0.25 0.00 0.00 175.52 173.90 1tub s GLY 57 N -3.95 1.85 0.75 5.82 0.00 -1.15 -5.01 107.32 105.64 1tub s GLY 57 Ca -0.06 -1.88 -0.06 0.00 0.00 0.00 0.00 44.72 42.72 1tub s GLY 57 CO 0.70 -1.91 1.05 0.00 0.00 0.00 0.00 173.10 172.94 1tub s ALA 58 N -2.73 3.23 0.50 3.20 0.00 -1.26 -4.76 121.76 119.93 1tub s ALA 58 Ca 0.29 -1.32 0.29 0.00 0.00 0.00 0.00 51.96 51.22 1tub s ALA 58 Cb -0.01 -2.37 1.39 0.00 0.00 0.00 0.00 23.12 22.13 1tub s ALA 58 CO 0.13 -1.56 1.82 0.78 0.00 0.00 0.00 175.76 176.93 1tub h GLY 59 N -0.74 0.38 0.16 0.00 0.00 -1.52 0.19 103.07 101.55 1tub h GLY 59 Ca -0.41 -0.07 0.05 0.00 0.00 0.00 0.00 47.33 46.90 1tub h GLY 59 CO 0.47 -0.04 -0.29 0.50 0.00 0.00 0.00 176.54 177.18 1tub h LYS 60 N 0.13 -0.33 -0.10 4.80 1.57 -1.84 0.28 116.57 121.07 1tub h LYS 60 Ca 0.53 0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 59.20 1tub h LYS 60 Cb 1.87 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.24 1tub h LYS 60 CO -0.10 -0.22 -0.55 1.25 -0.57 0.00 0.00 179.45 179.26 1tub h HIS 61 N -0.34 0.37 -3.22 -1.35 6.17 -1.02 -3.43 115.15 112.32 1tub h HIS 61 Ca 0.11 -0.13 -0.10 0.00 0.71 0.00 0.00 60.37 60.96 1tub h HIS 61 Cb 0.51 -0.07 -0.18 0.00 2.52 0.00 0.00 27.41 30.19 1tub h HIS 61 CO -0.40 0.78 -0.26 0.08 0.71 0.00 0.00 177.93 178.84 1tub s VAL 62 N -3.89 0.08 1.07 5.26 1.01 -0.41 -4.95 120.40 118.56 1tub s VAL 62 Ca -0.05 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 1tub s VAL 62 Cb 0.12 -0.83 0.27 0.00 0.00 0.00 0.00 36.38 35.95 1tub s VAL 62 CO 0.80 -0.34 0.71 -0.81 0.00 0.00 0.00 175.10 175.46 1tub n PRO 63 N 0.82 -3.73 -0.05 2.72 -0.04 0.89 -1.66 135.00 133.93 1tub n PRO 63 Ca -0.20 -1.18 -0.22 0.00 -0.04 0.00 0.00 63.50 61.86 1tub n PRO 63 Cb 0.58 -1.38 -0.13 0.00 -0.04 0.00 0.00 33.50 32.53 1tub n PRO 63 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1tub n ARG 64 N -4.65 0.67 -2.45 0.54 3.00 -1.26 -4.37 116.66 108.14 1tub n ARG 64 Ca 0.11 0.39 -0.04 0.00 -0.00 0.00 0.00 57.85 58.31 1tub n ARG 64 Cb 0.45 -1.71 -0.03 0.00 0.00 0.00 0.00 32.46 31.18 1tub n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1tub n ALA 65 N -3.25 -3.22 -3.15 5.13 0.00 -1.26 -3.90 120.51 110.86 1tub n ALA 65 Ca -0.34 1.80 0.05 0.00 0.00 0.00 0.00 53.44 54.95 1tub n ALA 65 Cb 0.89 -3.65 -0.01 0.00 0.00 0.00 0.00 19.45 16.67 1tub n ALA 65 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1tub s VAL 66 N -0.61 -0.69 -0.18 0.00 1.01 0.59 -4.72 120.40 115.80 1tub s VAL 66 Ca -0.20 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1tub s VAL 66 Cb 0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1tub s VAL 66 CO 0.53 0.00 0.40 -0.36 0.00 0.00 0.00 175.10 175.67 1tub s PHE 67 N 2.90 3.42 -0.22 5.22 0.08 -0.29 -0.90 117.98 128.18 1tub s PHE 67 Ca 0.13 0.67 -0.04 0.00 0.12 0.00 0.00 56.93 57.81 1tub s PHE 67 Cb -0.11 -2.50 -0.01 0.00 -0.57 0.00 0.00 43.02 39.83 1tub s PHE 67 CO -0.19 0.07 -0.03 0.08 -0.10 0.00 0.00 175.22 175.05 1tub s VAL 68 N 1.03 3.49 -0.14 -0.44 1.01 -1.25 -0.64 120.40 123.46 1tub s VAL 68 Ca 0.20 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1tub s VAL 68 Cb -0.14 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1tub s VAL 68 CO 0.08 0.41 -0.21 -1.81 0.00 0.00 0.00 175.10 173.57 1tub s ASP 69 N 1.47 3.03 -0.06 3.32 1.11 -0.76 -4.05 116.67 120.74 1tub s ASP 69 Ca 0.06 -0.59 0.20 0.00 0.18 0.00 0.00 52.55 52.40 1tub s ASP 69 Cb -0.14 -1.40 0.68 0.00 1.07 0.00 0.00 42.92 43.12 1tub s ASP 69 CO -0.02 0.07 1.58 0.18 1.18 0.00 0.00 175.17 178.15 1tub n LEU 70 N 4.13 4.30 -3.64 1.23 4.77 -1.26 -2.51 117.00 124.02 1tub n LEU 70 Ca -0.20 -2.16 -0.15 0.00 -0.03 0.00 0.00 56.01 53.47 1tub n LEU 70 Cb 0.51 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 1tub n LEU 70 CO 0.26 0.88 0.26 -1.61 -1.33 0.00 0.00 177.39 175.85 1tub s GLU 71 N -1.45 0.83 0.37 3.23 2.02 -0.98 -2.70 118.70 120.01 1tub s GLU 71 Ca 0.49 0.24 0.19 0.00 0.02 0.00 0.00 54.97 55.92 1tub s GLU 71 Cb 0.29 0.39 0.61 0.00 0.10 0.00 0.00 34.13 35.52 1tub s GLU 71 CO 0.29 -0.22 1.70 -1.00 0.02 0.00 0.00 175.26 176.04 1tub h PRO 72 N 3.85 0.00 0.00 0.39 0.13 -1.90 -3.39 132.00 131.08 1tub h PRO 72 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1tub h PRO 72 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1tub h PRO 72 CO 0.33 0.38 0.00 0.25 -0.23 0.00 0.00 178.00 178.74 1tub n THR 73 N -3.47 0.00 -0.15 1.56 -2.24 -1.26 0.95 114.28 109.67 1tub n THR 73 Ca 0.00 0.15 0.01 0.00 -2.27 0.00 0.00 64.05 61.94 1tub n THR 73 Cb 0.54 -0.31 0.29 0.00 -2.10 0.00 0.00 70.33 68.75 1tub n THR 73 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1tub h VAL 74 N 0.00 1.17 -0.25 2.28 3.04 -1.97 -1.23 116.25 119.29 1tub h VAL 74 Ca 0.00 -0.34 -0.10 0.00 -1.01 0.00 0.00 66.70 65.25 1tub h VAL 74 Cb 0.00 0.23 -0.01 0.00 -2.01 0.00 0.00 31.29 29.50 1tub h VAL 74 CO 0.00 0.17 -0.28 -0.29 -1.01 0.00 0.00 177.57 176.17 1tub h ILE 75 N 0.89 1.27 0.00 3.17 2.10 -1.21 0.33 117.51 124.06 1tub h ILE 75 Ca 0.24 -1.32 -0.03 0.00 1.08 0.00 0.00 64.86 64.82 1tub h ILE 75 Cb -0.08 1.38 -0.00 0.00 -1.09 0.00 0.00 36.82 37.03 1tub h ILE 75 CO -0.05 0.42 -0.15 -0.78 -1.08 0.00 0.00 178.15 176.51 1tub h ASP 76 N 0.44 0.00 0.07 2.19 1.82 4.73 0.22 116.42 125.89 1tub h ASP 76 Ca 0.06 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1tub h ASP 76 Cb 0.71 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.72 1tub h ASP 76 CO 0.05 0.15 -0.03 -0.33 -1.61 0.00 0.00 179.24 177.47 1tub h GLU 77 N 0.00 -0.09 -1.28 0.28 5.08 -0.07 19.41 114.58 137.90 1tub h GLU 77 Ca -0.00 0.01 0.37 0.00 -1.00 0.00 0.00 59.36 58.74 1tub h GLU 77 Cb 0.34 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 1tub h GLU 77 CO 0.02 -0.06 0.89 0.28 -1.00 0.00 0.00 179.01 179.14 1tub h VAL 78 N -0.11 0.34 0.00 3.13 2.07 -1.10 0.21 116.25 120.79 1tub h VAL 78 Ca -0.01 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1tub h VAL 78 Cb 0.07 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1tub h VAL 78 CO 0.02 0.02 -0.48 -0.09 0.02 0.00 0.00 177.57 177.05 1tub h ARG 79 N 0.10 0.00 -6.35 1.57 9.65 -0.70 -3.43 114.38 115.21 1tub h ARG 79 Ca 0.66 0.00 -0.64 0.00 -1.10 0.00 0.00 59.98 58.90 1tub h ARG 79 Cb 2.35 0.00 0.08 0.00 -1.39 0.00 0.00 29.97 31.01 1tub h ARG 79 CO -0.13 0.00 0.31 2.41 2.80 0.00 0.00 179.97 185.36 1tub n THR 80 N -2.19 0.85 -2.29 0.20 -1.04 5.94 -2.86 114.28 112.90 1tub n THR 80 Ca 0.04 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1tub n THR 80 Cb 0.44 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 1tub n THR 80 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1tub n GLY 81 N 2.06 0.00 2.70 3.41 0.00 -1.26 0.55 105.19 112.64 1tub n GLY 81 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1tub n GLY 81 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1tub n THR 82 N -0.52 0.00 0.00 2.61 -1.04 -1.13 -3.88 114.28 110.31 1tub n THR 82 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1tub n THR 82 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1tub n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1tub n TYR 83 N -0.60 0.00 -0.55 -1.42 9.36 2.17 -4.16 117.16 121.97 1tub n TYR 83 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1tub n TYR 83 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1tub n TYR 83 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1tub n ARG 84 N 0.00 0.00 -2.95 2.98 1.74 -1.25 -4.91 116.66 112.27 1tub n ARG 84 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 1tub n ARG 84 Cb 0.00 -1.44 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 1tub n ARG 84 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1tub n GLN 85 N -2.00 1.28 -1.83 5.56 6.02 -1.26 -4.79 117.38 120.35 1tub n GLN 85 Ca 0.00 -3.47 -0.39 0.00 -0.01 0.00 0.00 57.00 53.13 1tub n GLN 85 Cb 0.00 -1.59 -0.03 0.00 1.02 0.00 0.00 30.24 29.64 1tub n GLN 85 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1tub s LEU 86 N -2.80 3.40 0.00 1.08 2.96 -1.26 -4.71 118.68 117.35 1tub s LEU 86 Ca 0.36 0.99 0.23 0.00 -0.22 0.00 0.00 54.13 55.49 1tub s LEU 86 Cb 0.39 -2.89 0.07 0.00 0.50 0.00 0.00 46.19 44.26 1tub s LEU 86 CO -0.04 -2.31 1.11 2.22 -1.32 0.00 0.00 176.35 176.00 1tub n PHE 87 N 12.96 0.00 0.00 5.38 -1.74 -1.26 -4.91 117.46 127.89 1tub n PHE 87 Ca 0.27 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.16 1tub n PHE 87 Cb 0.51 -0.07 0.00 0.00 1.52 0.00 0.00 39.48 41.44 1tub n PHE 87 CO 0.00 0.00 0.00 1.58 -0.56 0.00 0.00 176.76 177.78 1tub n HIS 88 N -1.13 0.00 -3.19 2.97 -0.00 -1.26 -4.41 115.22 108.20 1tub n HIS 88 Ca 0.06 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.46 1tub n HIS 88 Cb 0.36 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.29 1tub n HIS 88 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1tub s PRO 89 N -2.00 3.96 -0.66 1.57 0.04 -1.26 -4.32 135.00 132.33 1tub s PRO 89 Ca 0.00 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1tub s PRO 89 Cb 0.00 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1tub s PRO 89 CO 0.00 0.18 0.00 0.39 0.04 0.00 0.00 177.00 177.61 1tub n GLU 90 N -0.34 -0.47 -0.00 4.56 1.02 -1.26 -3.77 120.64 120.38 1tub n GLU 90 Ca 0.03 0.63 0.09 0.00 -0.02 0.00 0.00 57.16 57.89 1tub n GLU 90 Cb 0.53 -4.43 -0.11 0.00 -0.02 0.00 0.00 31.44 27.42 1tub n GLU 90 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1tub n GLN 91 N -2.53 1.00 -3.06 3.49 6.02 -1.26 -4.96 117.38 116.07 1tub n GLN 91 Ca -0.07 -0.02 -0.38 0.00 -0.01 0.00 0.00 57.00 56.52 1tub n GLN 91 Cb 0.30 -1.36 -0.06 0.00 1.02 0.00 0.00 30.24 30.13 1tub n GLN 91 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1tub s LEU 92 N -3.02 4.52 -0.16 1.08 1.43 -1.26 -1.14 118.68 120.13 1tub s LEU 92 Ca 0.05 1.52 -0.06 0.00 -1.03 0.00 0.00 54.13 54.62 1tub s LEU 92 Cb 0.13 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 1tub s LEU 92 CO 0.74 0.18 0.03 -0.63 0.23 0.00 0.00 176.35 176.90 1tub s ILE 93 N -1.24 4.52 -0.27 -0.59 1.01 0.19 -4.94 121.20 119.88 1tub s ILE 93 Ca 0.36 -0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.86 1tub s ILE 93 Cb -0.21 -3.01 0.09 0.00 0.01 0.00 0.00 42.46 39.34 1tub s ILE 93 CO 0.24 0.49 0.08 -0.89 0.00 0.00 0.00 174.94 174.86 1tub s THR 94 N 0.18 0.67 -0.32 2.92 2.01 -1.26 -1.83 115.64 118.01 1tub s THR 94 Ca 0.02 -1.07 -0.12 0.00 0.31 0.00 0.00 61.69 60.84 1tub s THR 94 Cb -0.13 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.96 1tub s THR 94 CO 0.01 -0.54 0.20 -0.83 -0.69 0.00 0.00 174.62 172.78 1tub s GLY 95 N 1.75 1.93 -1.24 4.40 0.00 -1.04 -4.95 107.32 108.15 1tub s GLY 95 Ca 0.06 -1.30 -0.04 0.00 0.00 0.00 0.00 44.72 43.43 1tub s GLY 95 CO -0.22 0.72 2.27 0.28 0.00 0.00 0.00 173.10 176.15 1tub n LYS 96 N 5.06 4.76 -0.08 2.90 5.02 -1.26 -2.32 118.16 132.24 1tub n LYS 96 Ca -0.13 -3.71 0.12 0.00 -2.02 0.00 0.00 58.31 52.56 1tub n LYS 96 Cb 0.50 -2.59 0.21 0.00 -0.02 0.00 0.00 35.03 33.13 1tub n LYS 96 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1tub n GLU 97 N 1.31 2.29 -0.73 1.97 -0.58 -1.26 -4.98 120.64 118.66 1tub n GLU 97 Ca 0.59 -1.90 0.00 0.00 -0.42 0.00 0.00 57.16 55.43 1tub n GLU 97 Cb 0.25 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1tub n GLU 97 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1tub n ASP 98 N 1.21 -4.71 -4.75 1.62 -0.08 -1.26 -4.92 116.55 103.65 1tub n ASP 98 Ca 0.17 0.49 -0.34 0.00 -1.51 0.00 0.00 54.79 53.60 1tub n ASP 98 Cb 0.56 -1.36 0.05 0.00 2.34 0.00 0.00 41.12 42.71 1tub n ASP 98 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1tub s ALA 99 N -1.23 2.40 -0.04 -1.67 0.00 -1.10 -4.92 121.76 115.20 1tub s ALA 99 Ca 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 51.96 52.75 1tub s ALA 99 Cb 0.00 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1tub s ALA 99 CO 0.00 -1.38 0.07 0.00 0.00 0.00 0.00 175.76 174.45 1tub s ALA 100 N -1.96 0.08 -0.37 0.00 0.00 -1.26 -5.07 121.76 113.18 1tub s ALA 100 Ca 0.73 0.32 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 1tub s ALA 100 Cb -0.26 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1tub s ALA 100 CO 0.39 -0.31 0.48 -0.80 0.00 0.00 0.00 175.76 175.52 1tub s ASN 101 N 1.63 6.27 0.00 0.00 0.02 -1.26 -2.43 114.94 119.16 1tub s ASN 101 Ca -0.02 -0.21 0.00 0.00 -1.02 0.00 0.00 52.86 51.61 1tub s ASN 101 Cb -0.12 -2.25 0.00 0.00 0.02 0.00 0.00 41.25 38.90 1tub s ASN 101 CO -0.04 -0.49 0.00 0.59 0.02 0.00 0.00 177.10 177.18 1tub n ASN 102 N 5.69 0.00 0.14 -1.22 3.02 -1.26 -4.79 115.26 116.83 1tub n ASN 102 Ca -0.06 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.51 1tub n ASN 102 Cb 0.49 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.70 1tub n ASN 102 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1tub h TYR 103 N 0.00 0.00 -0.12 3.10 5.03 -1.87 -3.12 116.97 119.99 1tub h TYR 103 Ca 0.00 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.25 1tub h TYR 103 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 1tub h TYR 103 CO 0.00 0.54 -0.17 0.00 -1.32 0.00 0.00 178.16 177.20 1tub h ALA 104 N 1.46 0.18 -2.67 1.82 0.00 -1.91 -2.55 119.26 115.60 1tub h ALA 104 Ca -0.01 -0.35 -0.51 0.00 0.00 0.00 0.00 54.91 54.05 1tub h ALA 104 Cb 1.37 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1tub h ALA 104 CO 0.07 0.09 0.24 0.50 0.00 0.00 0.00 179.25 180.16 1tub s ARG 105 N -4.14 4.62 0.00 0.00 3.52 -1.18 0.76 118.95 122.54 1tub s ARG 105 Ca -0.14 1.25 0.00 0.00 -0.13 0.00 0.00 55.73 56.70 1tub s ARG 105 Cb 0.05 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 1tub s ARG 105 CO 0.75 0.50 0.00 0.41 -0.81 0.00 0.00 175.30 176.15 1tub n GLY 106 N 1.33 1.66 0.36 8.12 0.00 -1.26 -4.34 105.19 111.05 1tub n GLY 106 Ca -0.03 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 1tub n GLY 106 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1tub h HIS 107 N 0.00 -0.83 0.12 1.61 -0.00 -1.68 3.57 115.15 117.94 1tub h HIS 107 Ca 0.00 -0.02 -0.18 0.00 -0.00 0.00 0.00 60.37 60.17 1tub h HIS 107 Cb 0.00 0.27 0.02 0.00 -0.00 0.00 0.00 27.41 27.70 1tub h HIS 107 CO 0.00 -0.51 -0.80 1.88 -0.00 0.00 0.00 177.93 178.49 1tub h TYR 108 N -1.15 0.47 0.00 5.26 0.05 0.16 -3.34 116.97 118.42 1tub h TYR 108 Ca -0.09 -0.35 0.00 0.00 0.05 0.00 0.00 58.73 58.34 1tub h TYR 108 Cb 0.68 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.40 1tub h TYR 108 CO 0.01 1.31 0.00 0.25 -1.05 0.00 0.00 178.16 178.68 1tub n THR 109 N -4.16 0.00 -0.17 -2.88 -2.24 -1.13 -4.14 114.28 99.57 1tub n THR 109 Ca -0.15 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.58 1tub n THR 109 Cb 0.80 -0.01 0.14 0.00 -2.10 0.00 0.00 70.33 69.15 1tub n THR 109 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1tub h ILE 110 N 0.00 1.24 -0.63 2.28 2.04 -1.90 -2.78 117.51 117.76 1tub h ILE 110 Ca 0.00 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 1tub h ILE 110 Cb 0.00 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1tub h ILE 110 CO 0.00 0.34 0.32 1.23 0.00 0.00 0.00 178.15 180.04 1tub h GLY 111 N 1.01 0.96 -0.19 5.37 0.00 0.64 -2.58 103.07 108.29 1tub h GLY 111 Ca 0.18 -0.46 0.16 0.00 0.00 0.00 0.00 47.33 47.22 1tub h GLY 111 CO 0.00 0.44 0.10 0.50 0.00 0.00 0.00 176.54 177.59 1tub h LYS 112 N 0.86 0.18 0.00 4.80 1.57 -1.17 0.12 116.57 122.94 1tub h LYS 112 Ca 0.22 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1tub h LYS 112 Cb 0.09 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1tub h LYS 112 CO -0.03 0.12 -0.15 0.93 -0.57 0.00 0.00 179.45 179.75 1tub h GLU 113 N 0.19 0.00 -0.47 3.15 5.08 -1.54 -3.31 114.58 117.67 1tub h GLU 113 Ca 0.41 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.44 1tub h GLU 113 Cb 0.72 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.58 1tub h GLU 113 CO -0.57 0.15 -0.97 -0.89 -1.00 0.00 0.00 179.01 175.73 1tub n ILE 114 N -4.02 1.65 0.01 3.13 5.41 -0.32 -4.41 119.36 120.81 1tub n ILE 114 Ca -0.02 -3.22 0.06 0.00 1.00 0.00 0.00 62.75 60.57 1tub n ILE 114 Cb 0.23 0.34 -0.12 0.00 -0.71 0.00 0.00 39.64 39.38 1tub n ILE 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1tub n ILE 115 N -0.57 0.56 0.00 1.39 3.06 0.28 -4.47 119.36 119.62 1tub n ILE 115 Ca 0.20 -0.60 0.00 0.00 -2.50 0.00 0.00 62.75 59.85 1tub n ILE 115 Cb 0.88 -0.27 0.00 0.00 0.54 0.00 0.00 39.64 40.79 1tub n ILE 115 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1tub n ASP 116 N -2.54 0.00 -0.59 9.51 8.00 -1.26 -0.48 116.55 129.19 1tub n ASP 116 Ca -0.09 0.65 0.47 0.00 0.71 0.00 0.00 54.79 56.53 1tub n ASP 116 Cb 0.71 -0.43 0.75 0.00 -0.02 0.00 0.00 41.12 42.13 1tub n ASP 116 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1tub n LEU 117 N -1.78 0.10 -0.03 0.64 7.94 -1.26 0.61 117.00 123.22 1tub n LEU 117 Ca 0.00 1.18 -0.14 0.00 -1.11 0.00 0.00 56.01 55.94 1tub n LEU 117 Cb 0.00 -0.58 -0.09 0.00 0.53 0.00 0.00 43.42 43.27 1tub n LEU 117 CO 0.00 -1.24 0.49 0.58 -1.11 0.00 0.00 177.39 176.11 1tub h VAL 118 N 0.00 1.43 -0.96 1.96 2.07 -1.78 -1.93 116.25 117.04 1tub h VAL 118 Ca 0.91 -1.62 0.17 0.00 0.82 0.00 0.00 66.70 66.98 1tub h VAL 118 Cb 3.29 2.29 -0.10 0.00 -1.52 0.00 0.00 31.29 35.25 1tub h VAL 118 CO -0.24 0.46 0.56 -0.07 0.02 0.00 0.00 177.57 178.31 1tub h LEU 119 N -0.22 0.72 -0.64 2.57 3.38 2.05 0.20 115.31 123.37 1tub h LEU 119 Ca -0.01 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1tub h LEU 119 Cb 0.86 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1tub h LEU 119 CO 0.05 0.28 0.26 0.44 0.09 0.00 0.00 178.44 179.55 1tub h ASP 120 N 0.74 0.89 -0.34 -0.43 5.19 -0.15 0.97 116.42 123.29 1tub h ASP 120 Ca 0.54 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.77 1tub h ASP 120 Cb 0.80 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 1tub h ASP 120 CO -0.37 0.81 0.16 0.03 -3.12 0.00 0.00 179.24 176.75 1tub h ARG 121 N 0.90 0.50 -0.28 3.56 3.08 -0.00 -1.84 114.38 120.29 1tub h ARG 121 Ca 0.21 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1tub h ARG 121 Cb 0.20 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1tub h ARG 121 CO -0.02 0.46 0.18 0.97 -1.07 0.00 0.00 179.97 180.50 1tub h ILE 122 N 0.41 1.08 0.01 2.04 2.10 -0.31 0.13 117.51 122.97 1tub h ILE 122 Ca 0.12 -0.16 0.02 0.00 1.08 0.00 0.00 64.86 65.91 1tub h ILE 122 Cb 0.14 0.68 -0.02 0.00 -1.09 0.00 0.00 36.82 36.52 1tub h ILE 122 CO -0.01 0.08 -0.11 -0.09 -1.08 0.00 0.00 178.15 176.93 1tub h ARG 123 N 0.38 -0.19 -0.67 2.19 2.43 -0.66 3.13 114.38 120.99 1tub h ARG 123 Ca 0.10 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1tub h ARG 123 Cb -0.03 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1tub h ARG 123 CO -0.02 -0.12 0.42 0.87 -1.51 0.00 0.00 179.97 179.61 1tub h LYS 124 N -0.19 0.89 -0.63 0.20 1.57 -1.12 -0.61 116.57 116.68 1tub h LYS 124 Ca 0.04 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1tub h LYS 124 Cb 0.24 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1tub h LYS 124 CO -0.10 0.61 0.16 -0.07 -0.57 0.00 0.00 179.45 179.48 1tub h LEU 125 N 0.90 0.92 0.00 2.94 3.38 -0.17 -1.22 115.31 122.07 1tub h LEU 125 Ca 0.24 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1tub h LEU 125 Cb -0.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.44 1tub h LEU 125 CO -0.05 0.88 0.00 0.00 0.09 0.00 0.00 178.44 179.37 1tub n ALA 126 N -2.46 1.97 -0.07 1.53 0.00 1.04 -3.63 120.51 118.89 1tub n ALA 126 Ca 0.05 -0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 1tub n ALA 126 Cb 0.24 -1.29 -0.08 0.00 0.00 0.00 0.00 19.45 18.32 1tub n ALA 126 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1tub n ASP 127 N -1.27 2.40 -4.56 0.00 9.92 -0.49 -4.87 116.55 117.68 1tub n ASP 127 Ca 0.09 -0.04 -0.40 0.00 -0.53 0.00 0.00 54.79 53.91 1tub n ASP 127 Cb 0.14 0.28 -0.03 0.00 -0.64 0.00 0.00 41.12 40.86 1tub n ASP 127 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1tub s GLN 128 N -2.30 2.89 0.00 -1.24 -1.52 -1.03 -4.61 119.66 111.85 1tub s GLN 128 Ca -0.13 0.44 0.00 0.00 -1.95 0.00 0.00 55.36 53.71 1tub s GLN 128 Cb 0.04 -4.29 0.00 0.00 -0.22 0.00 0.00 33.01 28.54 1tub s GLN 128 CO 0.43 -2.44 0.00 0.00 -0.25 0.00 0.00 175.29 173.02 1tub s THR 130 N -1.03 0.06 0.04 0.00 -4.23 -1.26 -5.04 115.64 104.19 1tub s THR 130 Ca 0.00 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 1tub s THR 130 Cb 0.00 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.54 1tub s THR 130 CO 0.00 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1tub n GLY 131 N 1.99 -4.36 0.01 3.99 0.00 -1.03 -3.97 105.19 101.81 1tub n GLY 131 Ca -0.20 0.03 0.03 0.00 0.00 0.00 0.00 46.02 45.89 1tub n GLY 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tub n LEU 132 N 1.89 0.37 0.00 0.99 4.77 -1.25 0.48 117.00 124.26 1tub n LEU 132 Ca 0.00 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1tub n LEU 132 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1tub n LEU 132 CO 0.00 0.09 0.00 0.00 -1.33 0.00 0.00 177.39 176.15 1tub n GLN 133 N -1.14 0.00 0.00 3.23 6.02 -0.09 -2.88 117.38 122.52 1tub n GLN 133 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1tub n GLN 133 Cb 0.12 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.38 1tub n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1tub n GLY 134 N 0.00 4.23 2.71 1.08 0.00 -1.02 -4.49 105.19 107.69 1tub n GLY 134 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 1tub n GLY 134 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tub s PHE 135 N -1.49 0.30 -0.12 1.61 0.08 -1.25 0.47 117.98 117.59 1tub s PHE 135 Ca 0.00 0.06 -0.05 0.00 0.12 0.00 0.00 56.93 57.07 1tub s PHE 135 Cb 0.00 -0.61 -0.04 0.00 -0.57 0.00 0.00 43.02 41.80 1tub s PHE 135 CO 0.00 -0.26 0.06 -1.54 -0.10 0.00 0.00 175.22 173.37 1tub s SER 136 N 2.09 5.66 -0.13 1.36 1.04 0.23 0.24 113.70 124.19 1tub s SER 136 Ca 0.05 0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.70 1tub s SER 136 Cb -0.12 -1.76 0.04 0.00 0.10 0.00 0.00 66.02 64.28 1tub s SER 136 CO -0.04 0.35 -0.03 -0.69 0.98 0.00 0.00 173.24 173.81 1tub s VAL 137 N -0.68 0.78 -0.05 5.02 1.01 0.06 -0.26 120.40 126.28 1tub s VAL 137 Ca 0.12 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.47 1tub s VAL 137 Cb -0.12 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1tub s VAL 137 CO 0.02 0.15 0.91 -0.36 0.00 0.00 0.00 175.10 175.82 1tub s PHE 138 N 1.78 3.59 0.03 5.22 0.08 -0.89 0.25 117.98 128.05 1tub s PHE 138 Ca 0.02 1.54 -0.02 0.00 0.12 0.00 0.00 56.93 58.59 1tub s PHE 138 Cb -0.14 -3.05 -0.02 0.00 -0.57 0.00 0.00 43.02 39.23 1tub s PHE 138 CO -0.07 -0.05 0.01 -1.58 -0.10 0.00 0.00 175.22 173.43 1tub s HIS 139 N 1.24 0.30 0.46 0.36 5.04 -0.64 -2.92 115.29 119.13 1tub s HIS 139 Ca 0.47 -0.64 0.04 0.00 -1.54 0.00 0.00 55.06 53.39 1tub s HIS 139 Cb -0.19 -0.22 -0.04 0.00 0.04 0.00 0.00 32.58 32.16 1tub s HIS 139 CO 0.23 -0.28 0.02 -1.54 -2.34 0.00 0.00 174.74 170.82 1tub s SER 140 N -1.97 3.84 -0.47 9.88 1.04 -1.26 -2.09 113.70 122.67 1tub s SER 140 Ca -0.08 -1.54 0.06 0.00 0.48 0.00 0.00 55.95 54.87 1tub s SER 140 Cb -0.03 0.15 0.40 0.00 0.10 0.00 0.00 66.02 66.64 1tub s SER 140 CO -0.04 -0.70 1.05 0.49 0.98 0.00 0.00 173.24 175.03 1tub n PHE 141 N -1.10 3.47 0.00 5.02 3.01 -1.01 -4.55 117.46 122.30 1tub n PHE 141 Ca -0.12 -3.36 0.00 0.00 1.01 0.00 0.00 57.45 54.98 1tub n PHE 141 Cb 0.67 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1tub n PHE 141 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1tub n GLY 142 N -0.39 0.05 3.59 1.37 0.00 -1.26 -4.37 105.19 104.18 1tub n GLY 142 Ca 0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 1tub n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tub s GLY 143 N 0.00 1.78 0.28 -0.02 0.00 -1.26 -4.49 107.32 103.61 1tub s GLY 143 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 44.72 43.96 1tub s GLY 143 CO 0.00 1.42 1.60 -1.33 0.00 0.00 0.00 173.10 174.78 1tub h GLY 144 N 9.15 1.02 2.00 0.20 0.00 -1.64 21.31 103.07 135.10 1tub h GLY 144 Ca -0.27 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1tub h GLY 144 CO 0.79 -0.40 0.00 -1.30 0.00 0.00 0.00 176.54 175.63 1tub n THR 145 N -5.44 1.17 0.66 4.70 -2.24 -1.23 -2.29 114.28 109.61 1tub n THR 145 Ca 0.18 0.67 0.10 0.00 -2.27 0.00 0.00 64.05 62.73 1tub n THR 145 Cb 0.61 -1.66 -0.14 0.00 -2.10 0.00 0.00 70.33 67.04 1tub n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tub n GLY 146 N -1.24 -1.00 0.00 3.38 0.00 6.49 -3.11 105.19 109.72 1tub n GLY 146 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1tub n GLY 146 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tub n SER 147 N -1.76 0.00 -0.12 1.61 3.41 -0.97 -4.21 113.62 111.58 1tub n SER 147 Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1tub n SER 147 Cb 0.41 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.61 1tub n SER 147 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1tub h GLY 148 N 0.00 0.84 1.38 5.00 0.00 -1.45 1.37 103.07 110.21 1tub h GLY 148 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 1tub h GLY 148 CO 0.00 0.40 -0.13 -2.75 0.00 0.00 0.00 176.54 174.06 1tub h PHE 149 N 0.78 0.81 0.17 5.60 3.04 -1.67 2.43 116.94 128.11 1tub h PHE 149 Ca 0.19 -0.15 -0.31 0.00 3.98 0.00 0.00 57.97 61.68 1tub h PHE 149 Cb 0.15 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 38.46 1tub h PHE 149 CO 0.01 0.82 -1.50 1.79 -2.02 0.00 0.00 178.31 177.41 1tub h THR 150 N 0.67 1.09 0.00 4.41 1.35 -1.32 -0.05 112.91 119.06 1tub h THR 150 Ca 0.11 -2.52 -0.00 0.00 -0.55 0.00 0.00 66.41 63.45 1tub h THR 150 Cb 0.60 2.85 -0.00 0.00 -1.73 0.00 0.00 68.15 69.87 1tub h THR 150 CO 0.04 0.79 -0.01 0.77 -0.25 0.00 0.00 175.52 176.86 1tub h SER 151 N -0.06 0.00 0.00 5.36 4.64 0.22 2.75 113.55 126.46 1tub h SER 151 Ca -0.29 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.00 1tub h SER 151 Cb 1.96 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.05 1tub h SER 151 CO 0.16 0.01 -0.15 0.25 -0.87 0.00 0.00 176.83 176.23 1tub h LEU 152 N 0.00 0.00 0.00 5.97 5.85 0.41 -3.28 115.31 124.26 1tub h LEU 152 Ca -0.00 -0.87 -0.20 0.00 0.84 0.00 0.00 57.88 57.65 1tub h LEU 152 Cb 0.11 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1tub h LEU 152 CO 0.00 1.02 -1.05 0.25 -0.34 0.00 0.00 178.44 178.32 1tub h LEU 153 N -1.00 0.00 -0.06 2.25 5.85 0.42 -2.33 115.31 120.44 1tub h LEU 153 Ca -0.04 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.50 1tub h LEU 153 Cb 0.96 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1tub h LEU 153 CO -0.02 0.86 -0.88 0.24 -0.34 0.00 0.00 178.44 178.30 1tub h MET 154 N 0.00 0.00 0.03 1.25 2.86 0.46 -3.28 114.93 116.24 1tub h MET 154 Ca -0.07 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1tub h MET 154 Cb 1.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.38 1tub h MET 154 CO 0.10 0.88 -0.01 0.93 1.06 0.00 0.00 176.91 179.87 1tub h GLU 155 N 0.00 -0.03 -0.62 1.72 5.08 -1.60 0.12 114.58 119.25 1tub h GLU 155 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1tub h GLU 155 Cb 1.65 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.88 1tub h GLU 155 CO 0.11 0.67 0.34 0.00 -1.00 0.00 0.00 179.01 179.14 1tub h ARG 156 N -0.83 0.85 -0.18 2.33 3.08 -1.63 -1.33 114.38 116.68 1tub h ARG 156 Ca -0.00 -0.08 -0.21 0.00 0.07 0.00 0.00 59.98 59.75 1tub h ARG 156 Cb 0.72 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.61 1tub h ARG 156 CO 0.01 0.62 -0.73 -0.07 -1.07 0.00 0.00 179.97 178.73 1tub h LEU 157 N 0.86 0.91 -0.31 3.04 3.38 -1.55 0.92 115.31 122.55 1tub h LEU 157 Ca 0.22 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1tub h LEU 157 Cb 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1tub h LEU 157 CO -0.04 1.37 0.07 0.77 0.09 0.00 0.00 178.44 180.70 1tub h SER 158 N 0.55 0.48 -0.22 -0.43 4.64 -0.75 0.20 113.55 118.01 1tub h SER 158 Ca -0.04 -0.24 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 1tub h SER 158 Cb 1.35 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1tub h SER 158 CO 0.15 0.59 0.01 0.58 -0.87 0.00 0.00 176.83 177.29 1tub h VAL 159 N 0.34 1.25 -0.02 0.95 2.07 -1.16 -2.86 116.25 116.81 1tub h VAL 159 Ca 0.10 -0.85 -0.19 0.00 0.82 0.00 0.00 66.70 66.58 1tub h VAL 159 Cb 0.30 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1tub h VAL 159 CO 0.00 0.26 -0.81 0.44 0.02 0.00 0.00 177.57 177.48 1tub h ASP 160 N 0.16 0.32 -2.14 0.57 3.32 -0.82 -3.38 116.42 114.45 1tub h ASP 160 Ca 0.06 -0.23 -0.54 0.00 0.02 0.00 0.00 57.03 56.34 1tub h ASP 160 Cb 0.38 -0.10 -0.41 0.00 0.22 0.00 0.00 39.33 39.42 1tub h ASP 160 CO 0.01 1.00 -0.91 -1.22 -1.72 0.00 0.00 179.24 176.40 1tub n TYR 161 N -3.73 2.10 0.23 4.55 4.01 0.71 -4.93 117.16 120.10 1tub n TYR 161 Ca -0.04 -3.91 0.12 0.00 -0.16 0.00 0.00 57.90 53.92 1tub n TYR 161 Cb 0.76 -0.46 0.73 0.00 -0.31 0.00 0.00 39.34 40.06 1tub n TYR 161 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1tub h GLY 162 N 3.13 0.00 1.89 2.72 0.00 -1.69 -1.25 103.07 107.87 1tub h GLY 162 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1tub h GLY 162 CO 0.66 0.00 -0.10 0.50 0.00 0.00 0.00 176.54 177.60 1tub h LYS 163 N 0.00 0.00 -4.42 4.80 1.57 -1.91 -3.42 116.57 113.19 1tub h LYS 163 Ca 0.04 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 58.11 1tub h LYS 163 Cb 0.20 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.20 1tub h LYS 163 CO -0.00 0.00 -0.48 0.15 -0.57 0.00 0.00 179.45 178.55 1tub s LYS 164 N -3.21 2.38 0.40 3.15 1.02 -0.47 -5.05 119.74 117.96 1tub s LYS 164 Ca 0.07 -1.66 -0.25 0.00 0.02 0.00 0.00 55.97 54.15 1tub s LYS 164 Cb 0.07 -3.74 -0.08 0.00 -0.52 0.00 0.00 37.83 33.55 1tub s LYS 164 CO 0.67 -1.06 1.18 -1.54 -0.92 0.00 0.00 175.35 173.69 1tub s SER 165 N 2.19 6.47 0.02 2.83 1.04 -1.26 -4.79 113.70 120.19 1tub s SER 165 Ca 0.05 2.38 -0.00 0.00 0.48 0.00 0.00 55.95 58.86 1tub s SER 165 Cb -0.24 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.23 1tub s SER 165 CO -0.01 -0.71 0.12 -0.54 0.98 0.00 0.00 173.24 173.08 1tub s LYS 166 N -2.32 3.17 0.00 4.02 1.02 -1.26 -3.76 119.74 120.62 1tub s LYS 166 Ca 0.57 -0.48 0.07 0.00 0.02 0.00 0.00 55.97 56.15 1tub s LYS 166 Cb -0.31 -2.91 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 1tub s LYS 166 CO 0.39 0.63 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.73 1tub s LEU 167 N -2.02 2.34 0.02 3.17 1.43 0.65 -1.57 118.68 122.69 1tub s LEU 167 Ca 0.27 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1tub s LEU 167 Cb -0.12 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 1tub s LEU 167 CO 0.19 0.30 0.02 -1.61 0.23 0.00 0.00 176.35 175.47 1tub s GLU 168 N -0.96 0.37 0.28 1.70 2.02 -1.20 -0.76 118.70 120.14 1tub s GLU 168 Ca 0.12 -0.57 0.06 0.00 0.02 0.00 0.00 54.97 54.60 1tub s GLU 168 Cb -0.10 0.14 -0.03 0.00 0.10 0.00 0.00 34.13 34.24 1tub s GLU 168 CO 0.01 -0.07 0.32 -0.06 0.02 0.00 0.00 175.26 175.49 1tub s PHE 169 N -1.51 3.20 0.02 1.61 0.08 0.69 -1.29 117.98 120.78 1tub s PHE 169 Ca -0.15 -0.13 -0.04 0.00 0.12 0.00 0.00 56.93 56.73 1tub s PHE 169 Cb -0.09 -1.64 -0.01 0.00 -0.57 0.00 0.00 43.02 40.71 1tub s PHE 169 CO -0.01 0.33 0.06 -1.54 -0.10 0.00 0.00 175.22 173.97 1tub s SER 170 N -3.98 0.17 -0.34 1.36 1.04 0.35 -1.63 113.70 110.67 1tub s SER 170 Ca 0.37 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 1tub s SER 170 Cb -0.08 0.18 0.13 0.00 0.10 0.00 0.00 66.02 66.35 1tub s SER 170 CO 0.28 -0.41 0.19 -0.63 0.98 0.00 0.00 173.24 173.64 1tub s ILE 171 N -2.00 0.29 0.20 -1.02 1.01 -0.89 -0.16 121.20 118.63 1tub s ILE 171 Ca -0.10 -1.55 -0.01 0.00 0.00 0.00 0.00 60.65 58.99 1tub s ILE 171 Cb -0.05 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 1tub s ILE 171 CO -0.02 -0.89 0.40 -0.47 0.00 0.00 0.00 174.94 173.95 1tub s TYR 172 N 1.29 3.48 0.79 3.97 6.14 -1.24 -2.41 117.35 129.36 1tub s TYR 172 Ca 0.15 0.39 -0.11 0.00 0.64 0.00 0.00 57.07 58.14 1tub s TYR 172 Cb -0.21 -1.89 0.06 0.00 0.42 0.00 0.00 41.96 40.35 1tub s TYR 172 CO -0.10 0.38 1.09 -1.25 0.64 0.00 0.00 175.55 176.30 1tub s PRO 173 N -3.24 2.15 0.00 4.97 0.04 -1.26 -4.11 135.00 133.55 1tub s PRO 173 Ca 0.39 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1tub s PRO 173 Cb -0.11 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1tub s PRO 173 CO 0.28 -1.67 0.00 0.00 0.04 0.00 0.00 177.00 175.65 1tub n ALA 174 N -3.52 0.00 -0.03 8.56 0.00 -1.26 -4.99 120.51 119.27 1tub n ALA 174 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 1tub n ALA 174 Cb 0.54 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.86 1tub n ALA 174 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1tub n PRO 175 N 0.00 0.70 -3.59 0.00 -0.02 -1.26 -4.92 135.00 125.91 1tub n PRO 175 Ca 0.00 0.34 -0.21 0.00 -2.02 0.00 0.00 63.50 61.61 1tub n PRO 175 Cb 0.00 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1tub n PRO 175 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1tub s GLN 176 N -2.50 2.48 0.00 -0.52 -0.21 -1.26 -5.09 119.66 112.56 1tub s GLN 176 Ca -0.25 -1.60 0.00 0.00 0.02 0.00 0.00 55.36 53.53 1tub s GLN 176 Cb 0.07 -2.35 0.00 0.00 1.00 0.00 0.00 33.01 31.73 1tub s GLN 176 CO 0.71 -0.27 0.00 0.28 -2.12 0.00 0.00 175.29 173.89 1tub n VAL 177 N -1.60 0.00 -4.36 1.09 0.31 -1.26 -4.84 118.33 107.66 1tub n VAL 177 Ca 0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.17 1tub n VAL 177 Cb 0.62 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.45 1tub n VAL 177 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1tub s SER 178 N -4.00 2.59 0.13 4.52 0.01 -1.26 -5.07 113.70 110.62 1tub s SER 178 Ca 0.00 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.20 1tub s SER 178 Cb 0.00 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1tub s SER 178 CO 0.00 -0.22 0.00 0.41 0.41 0.00 0.00 173.24 173.84 1tub n THR 179 N -0.43 0.00 0.65 1.44 -1.04 -1.26 -4.34 114.28 109.30 1tub n THR 179 Ca -0.07 0.01 0.10 0.00 -2.04 0.00 0.00 64.05 62.04 1tub n THR 179 Cb 0.61 -0.20 -0.13 0.00 -1.82 0.00 0.00 70.33 68.80 1tub n THR 179 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1tub n ALA 180 N -1.55 4.03 0.01 2.41 0.00 -1.26 -4.79 120.51 119.37 1tub n ALA 180 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 53.44 52.90 1tub n ALA 180 Cb 0.25 -0.71 0.29 0.00 0.00 0.00 0.00 19.45 19.27 1tub n ALA 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tub h VAL 181 N 0.00 1.21 0.00 0.00 2.07 -1.83 -3.22 116.25 114.48 1tub h VAL 181 Ca 0.00 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1tub h VAL 181 Cb 0.61 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1tub h VAL 181 CO 0.00 0.29 0.00 0.58 0.02 0.00 0.00 177.57 178.46 1tub h VAL 182 N 0.47 0.00 0.00 2.57 2.07 -1.87 -2.73 116.25 116.77 1tub h VAL 182 Ca 0.10 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1tub h VAL 182 Cb 0.39 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1tub h VAL 182 CO 0.02 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.99 1tub n GLU 183 N -2.96 0.00 -2.31 1.57 -0.58 -1.22 -3.42 120.64 111.72 1tub n GLU 183 Ca 0.02 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.38 1tub n GLU 183 Cb 0.36 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.21 1tub n GLU 183 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1tub s PRO 184 N 0.00 4.03 0.00 3.49 0.05 -1.26 -3.91 135.00 137.40 1tub s PRO 184 Ca 0.00 1.81 0.00 0.00 0.05 0.00 0.00 61.00 62.86 1tub s PRO 184 Cb 0.00 -2.63 0.00 0.00 0.05 0.00 0.00 34.50 31.92 1tub s PRO 184 CO 0.00 -0.33 0.00 0.98 0.05 0.00 0.00 177.00 177.70 1tub n TYR 185 N -0.00 0.00 0.31 0.56 4.19 -1.03 -4.68 117.16 116.51 1tub n TYR 185 Ca 0.05 0.00 0.16 0.00 3.31 0.00 0.00 57.90 61.42 1tub n TYR 185 Cb 0.47 0.00 0.72 0.00 0.49 0.00 0.00 39.34 41.02 1tub n TYR 185 CO 0.00 0.00 0.00 -0.91 0.91 0.00 0.00 176.86 176.86 1tub h ASN 186 N 0.00 0.00 -0.06 2.98 2.35 -1.67 0.41 115.58 119.59 1tub h ASN 186 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1tub h ASN 186 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1tub h ASN 186 CO 0.00 0.00 -0.09 0.77 -1.65 0.00 0.00 177.43 176.46 1tub h SER 187 N 0.00 -0.28 -0.13 5.81 4.64 -1.84 1.95 113.55 123.70 1tub h SER 187 Ca 0.00 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1tub h SER 187 Cb 0.32 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1tub h SER 187 CO 0.00 -0.13 0.05 0.40 -0.87 0.00 0.00 176.83 176.28 1tub h ILE 188 N -0.13 1.15 0.00 0.95 2.04 -0.49 -2.94 117.51 118.09 1tub h ILE 188 Ca 0.06 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1tub h ILE 188 Cb 0.21 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1tub h ILE 188 CO -0.14 0.14 -0.03 -0.07 0.00 0.00 0.00 178.15 178.05 1tub h LEU 189 N 0.06 0.00 -0.06 1.44 3.38 -0.35 -2.46 115.31 117.32 1tub h LEU 189 Ca 0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.78 1tub h LEU 189 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1tub h LEU 189 CO -0.00 0.03 -1.05 0.74 0.09 0.00 0.00 178.44 178.25 1tub h THR 190 N 0.00 1.52 0.10 0.22 2.02 0.30 -3.34 112.91 113.73 1tub h THR 190 Ca -0.00 -2.91 -0.00 0.00 0.77 0.00 0.00 66.41 64.27 1tub h THR 190 Cb 0.08 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1tub h THR 190 CO 0.00 0.85 -0.14 0.71 0.37 0.00 0.00 175.52 177.31 1tub h THR 191 N 0.09 0.00 -0.49 3.16 1.35 -1.24 -3.34 112.91 112.44 1tub h THR 191 Ca -0.08 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.83 1tub h THR 191 Cb 1.74 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 68.10 1tub h THR 191 CO 0.17 0.00 -0.30 -0.74 -0.25 0.00 0.00 175.52 174.40 1tub h HIS 192 N -0.25 -0.95 0.00 4.73 6.17 -1.74 -3.23 115.15 119.88 1tub h HIS 192 Ca -0.01 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.13 1tub h HIS 192 Cb 0.23 0.48 0.00 0.00 2.52 0.00 0.00 27.41 30.64 1tub h HIS 192 CO -0.19 -0.19 0.00 0.25 0.71 0.00 0.00 177.93 178.51 1tub n THR 193 N -4.12 0.00 0.00 6.26 -2.24 -1.25 -0.76 114.28 112.16 1tub n THR 193 Ca 0.01 0.32 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 1tub n THR 193 Cb 0.13 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 1tub n THR 193 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1tub n THR 194 N 0.00 0.00 0.41 4.28 -1.04 -1.14 -1.74 114.28 115.05 1tub n THR 194 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 1tub n THR 194 Cb 0.00 0.00 0.46 0.00 -1.82 0.00 0.00 70.33 68.97 1tub n THR 194 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1tub h LEU 195 N 0.00 0.00 -2.26 -4.42 3.38 -1.66 -0.42 115.31 109.93 1tub h LEU 195 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1tub h LEU 195 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1tub h LEU 195 CO 0.00 0.00 0.19 -0.33 0.09 0.00 0.00 178.44 178.39 1tub h GLU 196 N 0.00 0.00 0.00 1.13 4.39 -0.60 -3.48 114.58 116.02 1tub h GLU 196 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1tub h GLU 196 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1tub h GLU 196 CO 0.00 0.00 0.00 -2.39 -1.16 0.00 0.00 179.01 175.46 1tub n HIS 197 N -3.77 0.00 0.00 4.33 1.44 -0.17 -4.20 115.22 112.85 1tub n HIS 197 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 1tub n HIS 197 Cb 0.30 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.41 1tub n HIS 197 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1tub n SER 198 N 0.00 0.00 0.00 4.39 3.41 -1.26 -2.90 113.62 117.26 1tub n SER 198 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1tub n SER 198 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1tub n SER 198 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1tub n ASP 199 N 0.00 0.00 -4.77 4.04 9.92 -0.61 -4.57 116.55 120.57 1tub n ASP 199 Ca 0.00 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.88 1tub n ASP 199 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1tub n ASP 199 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1tub s ALA 201 N -1.42 2.48 0.05 0.00 0.00 -1.12 -3.27 121.76 118.48 1tub s ALA 201 Ca 0.63 -1.95 -0.02 0.00 0.00 0.00 0.00 51.96 50.62 1tub s ALA 201 Cb -0.33 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1tub s ALA 201 CO 0.41 -0.04 -0.01 -0.06 0.00 0.00 0.00 175.76 176.06 1tub s PHE 202 N -2.93 0.43 0.04 0.00 0.08 -0.41 -3.36 117.98 111.83 1tub s PHE 202 Ca 0.30 -0.91 -0.01 0.00 0.12 0.00 0.00 56.93 56.43 1tub s PHE 202 Cb 0.04 -0.32 -0.03 0.00 -0.57 0.00 0.00 43.02 42.14 1tub s PHE 202 CO 0.13 -0.36 -0.01 -1.64 -0.10 0.00 0.00 175.22 173.24 1tub s MET 203 N -3.41 0.49 -0.25 0.44 -1.94 -1.26 0.13 119.30 113.50 1tub s MET 203 Ca 0.02 -0.89 -0.04 0.00 -1.71 0.00 0.00 55.69 53.07 1tub s MET 203 Cb 0.04 0.17 0.01 0.00 2.01 0.00 0.00 34.83 37.06 1tub s MET 203 CO -0.08 -0.09 -0.02 0.08 -0.01 0.00 0.00 175.02 174.89 1tub s VAL 204 N -2.70 3.30 -0.34 -6.03 1.01 0.78 -4.28 120.40 112.14 1tub s VAL 204 Ca -0.04 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 1tub s VAL 204 Cb -0.01 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1tub s VAL 204 CO -0.05 0.25 1.14 -1.81 0.00 0.00 0.00 175.10 174.62 1tub s ASP 205 N 1.42 6.83 0.53 3.32 1.11 -1.22 -3.73 116.67 124.93 1tub s ASP 205 Ca 0.03 1.00 0.31 0.00 0.18 0.00 0.00 52.55 54.07 1tub s ASP 205 Cb -0.16 -2.54 1.37 0.00 1.07 0.00 0.00 42.92 42.66 1tub s ASP 205 CO -0.02 -0.98 2.00 0.78 1.18 0.00 0.00 175.17 178.12 1tub h ASN 206 N 8.53 0.00 0.50 0.27 -0.26 -1.81 -0.14 115.58 122.68 1tub h ASN 206 Ca -0.22 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 1tub h ASN 206 Cb 1.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.33 1tub h ASN 206 CO 1.05 0.08 -0.59 1.21 -1.06 0.00 0.00 177.43 178.12 1tub n GLU 207 N -3.27 0.05 -0.00 0.81 4.07 -1.26 -3.41 120.64 117.62 1tub n GLU 207 Ca -0.00 0.01 -0.22 0.00 -0.06 0.00 0.00 57.16 56.89 1tub n GLU 207 Cb 0.30 -1.53 -0.14 0.00 -0.06 0.00 0.00 31.44 30.02 1tub n GLU 207 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1tub h ALA 208 N 2.92 0.34 0.35 4.31 0.00 -0.95 -3.38 119.26 122.84 1tub h ALA 208 Ca 0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 54.91 53.60 1tub h ALA 208 Cb 0.54 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1tub h ALA 208 CO 0.00 1.12 -0.17 0.82 0.00 0.00 0.00 179.25 181.02 1tub h ILE 209 N -0.14 0.63 0.00 0.00 2.04 -0.95 0.19 117.51 119.28 1tub h ILE 209 Ca -0.39 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1tub h ILE 209 Cb 1.89 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1tub h ILE 209 CO 0.05 0.09 0.00 -1.22 0.00 0.00 0.00 178.15 177.07 1tub n TYR 210 N -5.17 0.00 -0.11 1.37 4.01 -1.22 -1.21 117.16 114.83 1tub n TYR 210 Ca -0.10 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.41 1tub n TYR 210 Cb 0.27 -0.37 -0.11 0.00 -0.31 0.00 0.00 39.34 38.82 1tub n TYR 210 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1tub n ASP 211 N -1.37 1.88 0.22 7.72 9.92 -0.87 -3.65 116.55 130.39 1tub n ASP 211 Ca 0.05 0.41 0.15 0.00 -0.53 0.00 0.00 54.79 54.86 1tub n ASP 211 Cb 0.11 -0.93 0.75 0.00 -0.64 0.00 0.00 41.12 40.41 1tub n ASP 211 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1tub h ILE 212 N -1.00 0.00 0.00 0.53 3.07 -0.11 0.12 117.51 120.12 1tub h ILE 212 Ca -0.43 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 65.86 1tub h ILE 212 Cb 1.37 0.86 0.00 0.00 -0.27 0.00 0.00 36.82 38.77 1tub h ILE 212 CO -0.26 0.00 -0.47 0.00 -1.05 0.00 0.00 178.15 176.37 1tub n ARG 214 N -2.19 0.45 -0.03 0.00 0.63 0.20 -2.89 116.66 112.83 1tub n ARG 214 Ca 0.04 -0.12 0.01 0.00 -0.92 0.00 0.00 57.85 56.85 1tub n ARG 214 Cb 0.44 -1.33 -0.10 0.00 0.45 0.00 0.00 32.46 31.93 1tub n ARG 214 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1tub n ARG 215 N -1.99 1.14 -0.01 -0.14 1.74 -0.00 -4.84 116.66 112.56 1tub n ARG 215 Ca -0.03 -0.07 -0.01 0.00 -0.77 0.00 0.00 57.85 56.97 1tub n ARG 215 Cb 0.37 -1.31 -0.01 0.00 -1.02 0.00 0.00 32.46 30.50 1tub n ARG 215 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1tub n ASN 216 N -2.17 2.01 -0.16 0.55 3.02 -0.09 -5.03 115.26 113.37 1tub n ASN 216 Ca -0.10 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1tub n ASN 216 Cb 0.59 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1tub n ASN 216 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1tub n LEU 217 N -2.81 0.00 -3.98 3.41 7.94 -1.03 -4.70 117.00 115.83 1tub n LEU 217 Ca -0.03 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.74 1tub n LEU 217 Cb 0.53 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.35 1tub n LEU 217 CO 0.01 0.00 -0.39 -1.81 -1.11 0.00 0.00 177.39 174.09 1tub s ASP 218 N -1.00 0.51 0.00 1.96 1.01 -1.14 -4.58 116.67 113.43 1tub s ASP 218 Ca 0.00 -0.30 0.00 0.00 0.71 0.00 0.00 52.55 52.96 1tub s ASP 218 Cb 0.00 0.01 0.00 0.00 1.01 0.00 0.00 42.92 43.94 1tub s ASP 218 CO 0.00 -0.10 0.00 -0.38 0.21 0.00 0.00 175.17 174.90 1tub n ILE 219 N 2.23 0.00 0.20 0.77 5.41 -1.19 -4.89 119.36 121.89 1tub n ILE 219 Ca -0.18 0.00 0.16 0.00 1.00 0.00 0.00 62.75 63.73 1tub n ILE 219 Cb 0.57 0.00 0.79 0.00 -0.71 0.00 0.00 39.64 40.29 1tub n ILE 219 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1tub h GLU 220 N 0.00 0.00 0.00 0.38 5.08 -1.95 -3.18 114.58 114.91 1tub h GLU 220 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1tub h GLU 220 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1tub h GLU 220 CO 0.00 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.55 1tub n ARG 221 N -4.01 0.12 -2.73 2.33 1.74 -1.26 -4.94 116.66 107.90 1tub n ARG 221 Ca 0.01 0.21 -0.28 0.00 -0.77 0.00 0.00 57.85 57.02 1tub n ARG 221 Cb 0.29 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 1tub n ARG 221 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1tub s PRO 222 N -2.62 3.62 0.17 5.56 0.04 -1.20 -5.02 135.00 135.56 1tub s PRO 222 Ca 0.08 0.28 0.07 0.00 0.04 0.00 0.00 61.00 61.47 1tub s PRO 222 Cb 0.06 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1tub s PRO 222 CO 0.14 -0.13 0.05 0.95 0.04 0.00 0.00 177.00 178.05 1tub s THR 223 N -2.60 4.01 0.47 1.26 -4.23 -1.26 -4.98 115.64 108.31 1tub s THR 223 Ca 0.48 -1.31 0.19 0.00 -1.18 0.00 0.00 61.69 59.87 1tub s THR 223 Cb -0.10 -3.04 0.36 0.00 1.34 0.00 0.00 72.50 71.06 1tub s THR 223 CO 0.40 -0.12 1.97 1.88 -0.54 0.00 0.00 174.62 178.21 1tub h TYR 224 N 2.54 0.29 0.00 3.99 0.05 -1.98 0.37 116.97 122.23 1tub h TYR 224 Ca -0.47 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.32 1tub h TYR 224 Cb 1.20 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.85 1tub h TYR 224 CO 0.61 0.12 0.11 0.25 -1.05 0.00 0.00 178.16 178.20 1tub n THR 225 N -4.44 1.31 -0.05 -2.88 -2.24 -1.26 0.09 114.28 104.81 1tub n THR 225 Ca 0.11 0.60 -0.04 0.00 -2.27 0.00 0.00 64.05 62.45 1tub n THR 225 Cb 0.50 -1.60 -0.09 0.00 -2.10 0.00 0.00 70.33 67.04 1tub n THR 225 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1tub n ASN 226 N -1.71 2.18 0.27 3.42 3.02 0.13 -4.38 115.26 118.17 1tub n ASN 226 Ca -0.00 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.70 1tub n ASN 226 Cb 0.12 0.91 0.61 0.00 -0.61 0.00 0.00 39.78 40.81 1tub n ASN 226 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1tub h LEU 227 N 0.00 0.00 -1.03 3.41 5.85 0.07 -1.55 115.31 122.05 1tub h LEU 227 Ca -0.26 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 1tub h LEU 227 Cb 1.53 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1tub h LEU 227 CO 0.01 0.03 -0.18 0.78 -0.34 0.00 0.00 178.44 178.75 1tub h ASN 228 N 0.00 0.00 0.89 1.25 -0.26 -1.36 -2.91 115.58 113.19 1tub h ASN 228 Ca -0.00 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.54 1tub h ASN 228 Cb 0.59 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.82 1tub h ASN 228 CO 0.00 0.18 -0.96 0.03 -1.06 0.00 0.00 177.43 175.63 1tub h ARG 229 N 0.00 0.04 -0.46 0.81 3.08 -1.51 2.50 114.38 118.83 1tub h ARG 229 Ca -0.00 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 1tub h ARG 229 Cb 0.76 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 1tub h ARG 229 CO 0.02 0.97 -0.15 1.25 -1.07 0.00 0.00 179.97 180.98 1tub h LEU 230 N 0.01 0.88 0.08 3.04 5.85 -1.54 0.12 115.31 123.75 1tub h LEU 230 Ca -0.02 -0.29 -0.30 0.00 0.84 0.00 0.00 57.88 58.11 1tub h LEU 230 Cb 1.68 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 1tub h LEU 230 CO 0.13 1.03 -1.56 0.40 -0.34 0.00 0.00 178.44 178.10 1tub h ILE 231 N 0.77 1.09 -0.91 4.05 1.08 -1.39 -3.29 117.51 118.92 1tub h ILE 231 Ca 0.12 -2.80 0.07 0.00 -0.39 0.00 0.00 64.86 61.86 1tub h ILE 231 Cb 0.68 2.66 -0.07 0.00 -3.07 0.00 0.00 36.82 37.03 1tub h ILE 231 CO 0.05 0.77 0.57 1.23 -0.69 0.00 0.00 178.15 180.07 1tub h GLY 232 N 2.20 1.40 2.00 5.37 0.00 0.45 -0.79 103.07 113.70 1tub h GLY 232 Ca -0.24 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.60 1tub h GLY 232 CO 0.13 0.25 -0.39 1.46 0.00 0.00 0.00 176.54 177.99 1tub h GLN 233 N 1.01 0.00 -0.90 4.80 4.20 -1.05 -2.92 115.11 120.24 1tub h GLN 233 Ca 0.41 0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.23 1tub h GLN 233 Cb 0.23 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.93 1tub h GLN 233 CO -0.19 0.39 0.53 0.82 -0.67 0.00 0.00 178.83 179.71 1tub h ILE 234 N 0.00 0.90 0.17 2.54 1.08 -1.20 -1.11 117.51 119.89 1tub h ILE 234 Ca -0.00 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 1tub h ILE 234 Cb 0.83 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 1tub h ILE 234 CO 0.05 0.16 -0.08 0.58 -0.69 0.00 0.00 178.15 178.16 1tub h VAL 235 N 0.86 0.93 -1.18 1.67 2.07 -1.53 -2.40 116.25 116.67 1tub h VAL 235 Ca 0.44 -0.53 0.38 0.00 0.82 0.00 0.00 66.70 67.81 1tub h VAL 235 Cb 0.44 1.25 -0.13 0.00 -1.52 0.00 0.00 31.29 31.33 1tub h VAL 235 CO -0.26 0.12 0.74 0.77 0.02 0.00 0.00 177.57 178.96 1tub h SER 236 N -0.49 0.34 -0.11 0.57 4.64 -1.22 1.22 113.55 118.50 1tub h SER 236 Ca -0.02 0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 61.33 1tub h SER 236 Cb 0.38 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1tub h SER 236 CO 0.04 -0.14 -0.36 0.77 -0.87 0.00 0.00 176.83 176.27 1tub h SER 237 N 0.19 0.51 0.19 4.97 4.64 -1.30 -0.85 113.55 121.89 1tub h SER 237 Ca 0.76 -0.61 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1tub h SER 237 Cb 2.16 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 1tub h SER 237 CO -0.45 1.03 -0.09 0.40 -0.87 0.00 0.00 176.83 176.85 1tub h ILE 238 N 0.01 0.92 0.00 0.95 2.04 0.17 -3.28 117.51 118.32 1tub h ILE 238 Ca -0.01 -0.76 -0.22 0.00 1.00 0.00 0.00 64.86 64.87 1tub h ILE 238 Cb 0.99 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1tub h ILE 238 CO 0.08 0.17 -1.60 0.41 0.00 0.00 0.00 178.15 177.21 1tub n THR 239 N -5.03 1.51 -0.19 -0.27 -1.04 0.17 -3.70 114.28 105.73 1tub n THR 239 Ca -0.09 -0.09 0.12 0.00 -2.04 0.00 0.00 64.05 61.96 1tub n THR 239 Cb 0.24 -2.12 0.44 0.00 -1.82 0.00 0.00 70.33 67.07 1tub n THR 239 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1tub h ALA 240 N -0.92 1.94 0.09 2.41 0.00 -1.39 0.44 119.26 121.82 1tub h ALA 240 Ca -0.34 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1tub h ALA 240 Cb 1.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1tub h ALA 240 CO -0.20 -0.13 -0.04 0.66 0.00 0.00 0.00 179.25 179.53 1tub h SER 241 N 0.56 -0.10 0.39 0.00 4.64 -1.25 -2.63 113.55 115.15 1tub h SER 241 Ca 0.37 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1tub h SER 241 Cb 0.66 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1tub h SER 241 CO -0.14 0.31 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.05 1tub h LEU 242 N -0.89 0.00 -1.32 5.97 3.38 -1.62 -1.63 115.31 119.20 1tub h LEU 242 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1tub h LEU 242 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1tub h LEU 242 CO 0.02 0.01 0.00 0.54 0.09 0.00 0.00 178.44 179.10 1tub n ARG 243 N -3.16 1.88 -4.31 1.13 5.12 0.15 -4.65 116.66 112.82 1tub n ARG 243 Ca -0.02 -1.30 -0.22 0.00 -1.93 0.00 0.00 57.85 54.38 1tub n ARG 243 Cb 0.17 -1.44 -0.11 0.00 -1.16 0.00 0.00 32.46 29.92 1tub n ARG 243 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1tub s PHE 244 N -1.82 1.75 0.05 -1.55 2.19 -0.62 -4.84 117.98 113.15 1tub s PHE 244 Ca 0.34 -0.47 -0.30 0.00 0.33 0.00 0.00 56.93 56.83 1tub s PHE 244 Cb 0.19 -0.90 -0.09 0.00 -1.31 0.00 0.00 43.02 40.92 1tub s PHE 244 CO 0.29 0.28 1.82 -0.51 1.83 0.00 0.00 175.22 178.93 1tub s ASP 245 N -2.47 6.50 0.00 6.13 1.01 -1.26 -4.79 116.67 121.79 1tub s ASP 245 Ca 0.13 2.59 0.00 0.00 0.71 0.00 0.00 52.55 55.98 1tub s ASP 245 Cb -0.06 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1tub s ASP 245 CO 0.06 -0.99 0.00 0.61 0.21 0.00 0.00 175.17 175.06 1tub n GLY 246 N 4.29 1.25 3.83 0.21 0.00 -1.26 -4.36 105.19 109.14 1tub n GLY 246 Ca 0.18 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 1tub n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tub s ALA 247 N -1.00 3.75 -0.02 4.61 0.00 -1.25 -4.69 121.76 123.16 1tub s ALA 247 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 1tub s ALA 247 Cb 0.00 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.89 1tub s ALA 247 CO 0.00 0.46 0.03 1.28 0.00 0.00 0.00 175.76 177.53 1tub n LEU 248 N 2.21 -3.64 -4.16 0.00 4.77 -1.26 -2.05 117.00 112.87 1tub n LEU 248 Ca -0.16 1.25 -0.30 0.00 -0.03 0.00 0.00 56.01 56.77 1tub n LEU 248 Cb 0.53 -1.84 -0.17 0.00 -2.33 0.00 0.00 43.42 39.62 1tub n LEU 248 CO 0.35 -2.60 -0.53 0.20 -1.33 0.00 0.00 177.39 173.48 1tub s ASN 249 N -0.11 2.69 -0.22 -1.43 0.01 -1.26 -2.62 114.94 112.00 1tub s ASN 249 Ca -0.03 -0.48 -0.07 0.00 -0.71 0.00 0.00 52.86 51.57 1tub s ASN 249 Cb 0.00 -1.23 -0.03 0.00 0.41 0.00 0.00 41.25 40.40 1tub s ASN 249 CO 0.09 0.12 0.05 -0.69 -1.51 0.00 0.00 177.10 175.16 1tub s VAL 250 N 0.46 4.34 0.54 1.60 1.01 -1.26 -5.05 120.40 122.05 1tub s VAL 250 Ca -0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1tub s VAL 250 Cb -0.17 -2.99 0.11 0.00 0.00 0.00 0.00 36.38 33.33 1tub s VAL 250 CO 0.07 0.40 0.74 0.47 0.00 0.00 0.00 175.10 176.78 1tub n ASP 251 N 4.33 0.91 0.18 3.32 8.00 -1.26 -4.53 116.55 127.50 1tub n ASP 251 Ca -0.16 -1.79 0.13 0.00 0.71 0.00 0.00 54.79 53.67 1tub n ASP 251 Cb 0.52 -0.49 0.63 0.00 -0.02 0.00 0.00 41.12 41.76 1tub n ASP 251 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1tub h LEU 252 N 0.00 0.00 -1.13 0.64 3.38 -1.92 0.92 115.31 117.20 1tub h LEU 252 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1tub h LEU 252 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1tub h LEU 252 CO 0.25 0.00 -0.27 0.41 0.09 0.00 0.00 178.44 178.92 1tub n THR 253 N -2.37 0.00 0.02 0.22 -1.04 -1.26 -3.25 114.28 106.59 1tub n THR 253 Ca -0.01 -0.29 -0.10 0.00 -2.04 0.00 0.00 64.05 61.61 1tub n THR 253 Cb 0.10 1.08 -0.13 0.00 -1.82 0.00 0.00 70.33 69.56 1tub n THR 253 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1tub h GLU 254 N 2.75 0.05 -0.61 -2.82 4.57 -1.16 -3.37 114.58 113.98 1tub h GLU 254 Ca 0.00 -0.09 -0.10 0.00 -1.18 0.00 0.00 59.36 57.99 1tub h GLU 254 Cb 0.74 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 1tub h GLU 254 CO 0.00 0.79 0.00 0.74 -1.18 0.00 0.00 179.01 179.36 1tub h PHE 255 N 0.01 1.16 -0.30 0.92 0.04 -1.38 -2.17 116.94 115.22 1tub h PHE 255 Ca -0.20 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.37 1tub h PHE 255 Cb 1.94 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 39.77 1tub h PHE 255 CO 0.01 1.02 0.14 1.96 -0.60 0.00 0.00 178.31 180.84 1tub h GLN 256 N 0.97 0.43 0.00 1.51 4.20 -1.72 -2.48 115.11 118.02 1tub h GLN 256 Ca 0.17 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.64 1tub h GLN 256 Cb 0.55 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1tub h GLN 256 CO 0.03 0.41 -1.05 1.79 -0.67 0.00 0.00 178.83 179.34 1tub h THR 257 N 0.35 1.02 0.00 -0.54 1.35 -1.72 -0.75 112.91 112.61 1tub h THR 257 Ca 0.10 -2.58 0.00 0.00 -0.55 0.00 0.00 66.41 63.38 1tub h THR 257 Cb 0.12 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1tub h THR 257 CO -0.01 0.58 -0.25 0.78 -0.25 0.00 0.00 175.52 176.37 1tub h ASN 258 N 0.00 0.00 0.09 5.36 -0.26 -1.42 -3.26 115.58 116.10 1tub h ASN 258 Ca -0.09 -0.01 -0.34 0.00 -0.56 0.00 0.00 56.30 55.31 1tub h ASN 258 Cb 1.64 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 38.84 1tub h ASN 258 CO 0.08 0.00 -2.24 0.18 -1.06 0.00 0.00 177.43 174.39 1tub n LEU 259 N -2.92 0.16 -4.63 1.61 4.77 -0.94 -4.45 117.00 110.60 1tub n LEU 259 Ca 0.03 0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 1tub n LEU 259 Cb 0.53 0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 42.00 1tub n LEU 259 CO 0.35 0.45 0.74 -0.69 -1.33 0.00 0.00 177.39 176.91 1tub s VAL 260 N -2.56 4.71 -0.05 4.08 1.01 -0.29 -4.74 120.40 122.56 1tub s VAL 260 Ca -0.09 1.51 0.13 0.00 0.00 0.00 0.00 61.98 63.53 1tub s VAL 260 Cb 0.07 -4.23 -0.19 0.00 0.00 0.00 0.00 36.38 32.02 1tub s VAL 260 CO 0.83 -0.27 0.23 -0.81 0.00 0.00 0.00 175.10 175.08 1tub n PRO 261 N 6.35 0.84 -3.41 2.72 -0.05 -1.26 -4.76 135.00 135.43 1tub n PRO 261 Ca 0.07 -0.09 -0.09 0.00 -0.05 0.00 0.00 63.50 63.35 1tub n PRO 261 Cb 0.47 -1.32 0.01 0.00 -0.05 0.00 0.00 33.50 32.62 1tub n PRO 261 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 1tub n TYR 262 N -2.11 -1.99 -0.40 0.54 4.02 -1.26 -5.11 117.16 110.85 1tub n TYR 262 Ca -0.07 -1.67 0.10 0.00 -0.01 0.00 0.00 57.90 56.25 1tub n TYR 262 Cb 0.51 0.73 0.30 0.00 -0.02 0.00 0.00 39.34 40.86 1tub n TYR 262 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1tub n PRO 263 N -0.46 2.94 -3.22 -0.72 -0.05 -1.26 -4.65 135.00 127.57 1tub n PRO 263 Ca -0.06 -2.62 -0.46 0.00 -0.05 0.00 0.00 63.50 60.31 1tub n PRO 263 Cb 0.50 -1.59 -0.03 0.00 -0.05 0.00 0.00 33.50 32.34 1tub n PRO 263 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 1tub s ARG 264 N -1.18 3.50 0.00 0.54 0.52 -1.26 -4.87 118.95 116.20 1tub s ARG 264 Ca 0.46 -2.14 0.00 0.00 -0.52 0.00 0.00 55.73 53.53 1tub s ARG 264 Cb 0.25 -4.51 0.00 0.00 0.52 0.00 0.00 34.95 31.21 1tub s ARG 264 CO 0.29 -1.42 0.00 0.41 0.02 0.00 0.00 175.30 174.59 1tub n GLY 265 N 4.54 0.00 3.16 -3.53 0.00 -1.26 -4.80 105.19 103.29 1tub n GLY 265 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1tub n GLY 265 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tub s HIS 266 N 0.00 1.30 0.42 1.61 3.76 -1.26 -4.99 115.29 116.13 1tub s HIS 266 Ca 0.00 -0.36 -0.06 0.00 -0.15 0.00 0.00 55.06 54.49 1tub s HIS 266 Cb 0.00 -0.77 -0.05 0.00 1.11 0.00 0.00 32.58 32.88 1tub s HIS 266 CO 0.00 0.05 0.73 -0.06 -0.85 0.00 0.00 174.74 174.61 1tub s PHE 267 N -0.88 3.52 0.14 1.40 0.08 -1.26 -2.78 117.98 118.20 1tub s PHE 267 Ca 0.02 0.81 -0.17 0.00 0.12 0.00 0.00 56.93 57.71 1tub s PHE 267 Cb -0.08 -2.27 0.04 0.00 -0.57 0.00 0.00 43.02 40.13 1tub s PHE 267 CO 0.01 -0.14 0.45 -1.25 -0.10 0.00 0.00 175.22 174.19 1tub s PRO 268 N -4.31 1.16 0.18 0.24 0.04 -1.21 -4.34 135.00 126.76 1tub s PRO 268 Ca 0.47 -0.71 0.11 0.00 0.04 0.00 0.00 61.00 60.90 1tub s PRO 268 Cb -0.10 0.49 -0.04 0.00 0.04 0.00 0.00 34.50 34.89 1tub s PRO 268 CO 0.39 -0.47 -0.22 -0.51 0.04 0.00 0.00 177.00 176.22 1tub s LEU 269 N -2.81 2.43 -0.12 -3.56 1.43 -0.12 -3.99 118.68 111.95 1tub s LEU 269 Ca 0.04 -0.86 0.02 0.00 -1.03 0.00 0.00 54.13 52.29 1tub s LEU 269 Cb 0.01 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 45.18 1tub s LEU 269 CO -0.10 0.08 -0.16 0.00 0.23 0.00 0.00 176.35 176.39 1tub s ALA 270 N -1.77 1.84 -0.08 4.21 0.00 -1.03 -1.77 121.76 123.17 1tub s ALA 270 Ca 0.19 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1tub s ALA 270 Cb -0.07 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1tub s ALA 270 CO 0.09 -0.14 -0.21 0.95 0.00 0.00 0.00 175.76 176.45 1tub s THR 271 N 1.07 1.79 -0.28 0.00 -4.23 -0.60 -3.27 115.64 110.11 1tub s THR 271 Ca -0.04 -0.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.62 1tub s THR 271 Cb -0.15 -1.55 0.07 0.00 1.34 0.00 0.00 72.50 72.22 1tub s THR 271 CO -0.04 0.50 -0.05 -0.47 -0.54 0.00 0.00 174.62 174.02 1tub s TYR 272 N 0.29 3.28 0.17 3.99 6.14 -1.23 -1.87 117.35 128.12 1tub s TYR 272 Ca -0.14 -2.45 0.07 0.00 0.64 0.00 0.00 57.07 55.19 1tub s TYR 272 Cb -0.16 -2.18 -0.02 0.00 0.42 0.00 0.00 41.96 40.03 1tub s TYR 272 CO 0.06 -0.89 1.39 0.00 0.64 0.00 0.00 175.55 176.75 1tub h ALA 273 N 7.75 0.55 -2.06 3.97 0.00 -1.65 -3.42 119.26 124.40 1tub h ALA 273 Ca -0.14 -0.78 -0.57 0.00 0.00 0.00 0.00 54.91 53.41 1tub h ALA 273 Cb 1.04 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1tub h ALA 273 CO 0.47 1.05 0.86 -1.25 0.00 0.00 0.00 179.25 180.39 1tub s PRO 274 N -3.05 4.18 0.00 0.00 0.04 -1.26 -4.67 135.00 130.24 1tub s PRO 274 Ca -0.00 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1tub s PRO 274 Cb 0.11 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1tub s PRO 274 CO 0.81 -0.76 0.03 0.28 0.04 0.00 0.00 177.00 177.40 1tub n VAL 275 N 5.54 0.00 -1.55 -0.36 0.31 -1.26 -4.95 118.33 116.05 1tub n VAL 275 Ca 0.13 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.11 1tub n VAL 275 Cb 0.46 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.47 1tub n VAL 275 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1tub s ILE 276 N 0.00 2.27 0.74 2.52 1.01 -1.26 -4.35 121.20 122.13 1tub s ILE 276 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.67 1tub s ILE 276 Cb 0.00 -2.82 0.04 0.00 0.01 0.00 0.00 42.46 39.69 1tub s ILE 276 CO 0.00 -0.06 1.11 -0.94 0.00 0.00 0.00 174.94 175.05 1tub s SER 277 N -1.85 4.59 0.46 3.58 1.04 -1.26 -2.25 113.70 118.00 1tub s SER 277 Ca 0.76 1.95 0.31 0.00 0.48 0.00 0.00 55.95 59.45 1tub s SER 277 Cb -0.31 -2.54 1.29 0.00 0.10 0.00 0.00 66.02 64.55 1tub s SER 277 CO 0.43 -1.98 1.91 0.00 0.98 0.00 0.00 173.24 174.57 1tub h ALA 278 N -0.71 1.00 -0.32 5.32 0.00 -1.85 -2.90 119.26 119.80 1tub h ALA 278 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1tub h ALA 278 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1tub h ALA 278 CO 0.51 0.00 0.00 0.39 0.00 0.00 0.00 179.25 180.15 1tub n GLU 279 N -2.80 3.33 0.00 0.00 1.02 -1.26 -4.92 120.64 116.01 1tub n GLU 279 Ca 0.01 -2.91 0.00 0.00 -0.02 0.00 0.00 57.16 54.24 1tub n GLU 279 Cb 0.27 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1tub n GLU 279 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1tub n LYS 280 N -0.28 3.76 0.00 3.49 4.76 -1.10 -5.03 118.16 123.76 1tub n LYS 280 Ca 0.23 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 1tub n LYS 280 Cb 0.96 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.15 1tub n LYS 280 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1tub n ALA 281 N -3.00 0.00 -1.69 7.82 0.00 -1.26 -4.95 120.51 117.43 1tub n ALA 281 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1tub n ALA 281 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1tub n ALA 281 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1tub n TYR 282 N 0.00 2.64 0.00 0.00 4.11 -1.26 -4.53 117.16 118.12 1tub n TYR 282 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 1tub n TYR 282 Cb 0.00 -2.74 0.00 0.00 -0.00 0.00 0.00 39.34 36.60 1tub n TYR 282 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 1tub n HIS 283 N 5.63 0.00 0.00 -3.48 8.25 -1.26 -1.53 115.22 122.84 1tub n HIS 283 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1tub n HIS 283 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 1tub n HIS 283 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1tub n GLU 284 N 0.00 0.00 -4.06 -0.41 2.13 -1.26 -4.92 120.64 112.12 1tub n GLU 284 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 1tub n GLU 284 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 1tub n GLU 284 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1tub s GLN 285 N 0.00 0.52 -0.05 5.31 -0.21 -0.58 -4.99 119.66 119.66 1tub s GLN 285 Ca 0.00 -1.03 -0.11 0.00 0.02 0.00 0.00 55.36 54.23 1tub s GLN 285 Cb 0.00 0.18 -0.05 0.00 1.00 0.00 0.00 33.01 34.14 1tub s GLN 285 CO 0.00 -0.09 0.29 -1.17 -2.12 0.00 0.00 175.29 172.20 1tub s LEU 286 N -2.48 4.44 0.31 2.90 2.96 -1.26 -4.88 118.68 120.67 1tub s LEU 286 Ca -0.00 0.75 -0.29 0.00 -0.22 0.00 0.00 54.13 54.37 1tub s LEU 286 Cb 0.03 -2.37 -0.10 0.00 0.50 0.00 0.00 46.19 44.24 1tub s LEU 286 CO -0.07 0.36 1.37 -0.94 -1.32 0.00 0.00 176.35 175.75 1tub s SER 287 N -1.07 6.68 0.07 3.68 1.04 -1.26 -4.88 113.70 117.96 1tub s SER 287 Ca 0.20 2.73 -0.36 0.00 0.48 0.00 0.00 55.95 59.00 1tub s SER 287 Cb -0.15 -2.64 -0.19 0.00 0.10 0.00 0.00 66.02 63.14 1tub s SER 287 CO 0.09 -0.63 1.58 0.58 0.98 0.00 0.00 173.24 175.84 1tub h VAL 288 N 3.18 0.06 0.00 5.02 2.07 -1.97 -2.28 116.25 122.33 1tub h VAL 288 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1tub h VAL 288 Cb 1.23 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1tub h VAL 288 CO 0.69 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.28 1tub h ALA 289 N -1.02 1.00 0.00 1.67 0.00 -1.89 0.12 119.26 119.13 1tub h ALA 289 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1tub h ALA 289 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1tub h ALA 289 CO 0.09 0.00 0.00 1.49 0.00 0.00 0.00 179.25 180.83 1tub h GLU 290 N 0.00 0.00 -0.67 0.00 4.81 -1.79 -0.74 114.58 116.19 1tub h GLU 290 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1tub h GLU 290 Cb 0.41 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1tub h GLU 290 CO 0.00 0.00 0.11 0.82 -0.73 0.00 0.00 179.01 179.21 1tub h ILE 291 N 0.00 1.26 -0.54 2.32 2.04 -0.56 0.92 117.51 122.95 1tub h ILE 291 Ca 0.00 -1.04 0.08 0.00 1.00 0.00 0.00 64.86 64.90 1tub h ILE 291 Cb 0.28 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 1tub h ILE 291 CO 0.00 0.39 0.17 0.71 0.00 0.00 0.00 178.15 179.43 1tub h THR 292 N 1.04 0.78 -0.87 -0.27 1.35 -1.25 -1.23 112.91 112.45 1tub h THR 292 Ca 0.20 -0.12 -0.03 0.00 -0.55 0.00 0.00 66.41 65.92 1tub h THR 292 Cb 0.44 0.41 -0.04 0.00 -1.73 0.00 0.00 68.15 67.23 1tub h THR 292 CO 0.01 0.06 0.44 -1.13 -0.25 0.00 0.00 175.52 174.65 1tub h ASN 293 N 0.34 1.12 -0.76 5.36 -0.00 -1.47 -1.32 115.58 118.84 1tub h ASN 293 Ca 0.27 -0.12 0.15 0.00 -0.00 0.00 0.00 56.30 56.60 1tub h ASN 293 Cb 0.32 -0.29 -0.15 0.00 -0.00 0.00 0.00 38.32 38.21 1tub h ASN 293 CO -0.29 0.93 -0.19 0.00 -0.00 0.00 0.00 177.43 177.87 1tub h ALA 294 N 1.24 0.50 -0.20 1.57 0.00 0.31 0.31 119.26 122.99 1tub h ALA 294 Ca 0.30 0.30 0.03 0.00 0.00 0.00 0.00 54.91 55.54 1tub h ALA 294 Cb 0.09 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1tub h ALA 294 CO -0.04 -0.41 -0.36 0.00 0.00 0.00 0.00 179.25 178.44 1tub h PHE 296 N -0.30 0.44 -1.04 0.00 -1.00 -0.63 -3.43 116.94 110.99 1tub h PHE 296 Ca 0.04 0.01 -0.80 0.00 2.81 0.00 0.00 57.97 60.03 1tub h PHE 296 Cb 0.40 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.81 1tub h PHE 296 CO -0.63 0.26 0.91 0.39 -1.61 0.00 0.00 178.31 177.62 1tub n GLU 297 N -4.48 0.46 -0.27 1.51 1.02 0.81 -4.52 120.64 115.17 1tub n GLU 297 Ca 0.04 0.16 0.32 0.00 -0.02 0.00 0.00 57.16 57.67 1tub n GLU 297 Cb 0.15 -1.77 0.59 0.00 -0.02 0.00 0.00 31.44 30.39 1tub n GLU 297 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1tub h PRO 298 N 6.84 0.00 -0.20 3.49 0.13 -1.86 -2.93 132.00 137.47 1tub h PRO 298 Ca -0.39 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.70 1tub h PRO 298 Cb 1.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1tub h PRO 298 CO 0.99 0.00 -0.04 0.00 -0.23 0.00 0.00 178.00 178.72 1tub h ALA 299 N 0.84 0.28 0.00 -0.56 0.00 -1.86 -2.76 119.26 115.19 1tub h ALA 299 Ca 0.54 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1tub h ALA 299 Cb 2.75 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 20.47 1tub h ALA 299 CO -0.01 0.05 -0.04 -0.91 0.00 0.00 0.00 179.25 178.34 1tub h ASN 300 N 0.11 0.00 -1.23 0.00 2.35 -1.70 -3.41 115.58 111.70 1tub h ASN 300 Ca 0.05 0.00 -0.78 0.00 -0.55 0.00 0.00 56.30 55.02 1tub h ASN 300 Cb 0.48 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.88 1tub h ASN 300 CO 0.02 0.04 0.44 1.67 -1.65 0.00 0.00 177.43 177.96 1tub n GLN 301 N -3.35 0.43 -0.09 0.81 7.27 -1.04 -4.50 117.38 116.91 1tub n GLN 301 Ca -0.02 0.16 -0.14 0.00 0.07 0.00 0.00 57.00 57.07 1tub n GLN 301 Cb 0.18 -1.72 -0.04 0.00 2.41 0.00 0.00 30.24 31.07 1tub n GLN 301 CO 0.00 0.00 0.00 0.52 0.07 0.00 0.00 177.06 177.65 1tub h MET 302 N 4.54 0.75 -6.29 3.69 2.86 -1.85 -3.43 114.93 115.21 1tub h MET 302 Ca -0.48 -0.42 -0.46 0.00 -2.06 0.00 0.00 59.70 56.28 1tub h MET 302 Cb 1.38 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.06 1tub h MET 302 CO 0.81 1.05 -0.33 0.08 1.06 0.00 0.00 176.91 179.58 1tub s VAL 303 N -4.28 2.95 -0.38 -2.22 1.01 -1.26 -2.85 120.40 113.37 1tub s VAL 303 Ca -0.12 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.65 1tub s VAL 303 Cb 0.09 -3.04 0.16 0.00 0.00 0.00 0.00 36.38 33.59 1tub s VAL 303 CO 0.85 -0.02 2.34 1.17 0.00 0.00 0.00 175.10 179.44 1tub n LYS 304 N -1.66 2.08 -3.21 2.72 4.81 -1.26 -4.77 118.16 116.86 1tub n LYS 304 Ca 0.05 -1.93 -0.46 0.00 -0.87 0.00 0.00 58.31 55.10 1tub n LYS 304 Cb 0.60 -1.85 -0.03 0.00 0.02 0.00 0.00 35.03 33.77 1tub n LYS 304 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1tub s ASP 306 N 2.95 4.61 0.61 0.00 -1.08 -1.26 -4.73 116.67 117.77 1tub s ASP 306 Ca 0.17 0.65 0.41 0.00 -0.52 0.00 0.00 52.55 53.26 1tub s ASP 306 Cb -0.15 -2.52 2.22 0.00 -1.46 0.00 0.00 42.92 41.01 1tub s ASP 306 CO -0.04 -2.89 2.25 1.55 0.52 0.00 0.00 175.17 176.57 1tub h PRO 307 N 17.05 0.00 -1.00 4.34 0.13 -1.95 0.29 132.00 150.87 1tub h PRO 307 Ca -0.19 0.00 0.42 0.00 -0.87 0.00 0.00 66.00 65.35 1tub h PRO 307 Cb 1.19 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 1tub h PRO 307 CO 1.16 0.00 0.53 0.54 -0.23 0.00 0.00 178.00 180.00 1tub n ARG 308 N -2.94 -0.06 -2.93 0.86 1.74 -1.26 -3.56 116.66 108.51 1tub n ARG 308 Ca -0.03 1.38 -0.41 0.00 -0.77 0.00 0.00 57.85 58.02 1tub n ARG 308 Cb 0.07 -2.48 -0.04 0.00 -1.02 0.00 0.00 32.46 28.99 1tub n ARG 308 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1tub s HIS 309 N -5.53 3.43 0.00 -1.55 3.76 0.09 -4.94 115.29 110.56 1tub s HIS 309 Ca -0.09 1.22 0.00 0.00 -0.15 0.00 0.00 55.06 56.04 1tub s HIS 309 Cb 0.34 -2.97 0.00 0.00 1.11 0.00 0.00 32.58 31.06 1tub s HIS 309 CO 0.78 -0.20 0.00 0.41 -0.85 0.00 0.00 174.74 174.88 1tub n GLY 310 N 3.46 -0.84 3.43 -2.22 0.00 -1.23 -3.78 105.19 104.01 1tub n GLY 310 Ca 0.03 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 1tub n GLY 310 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tub s LYS 311 N 0.00 3.58 0.75 1.61 1.02 -1.25 -4.82 119.74 120.63 1tub s LYS 311 Ca 0.00 -0.54 -0.07 0.00 0.02 0.00 0.00 55.97 55.38 1tub s LYS 311 Cb 0.00 -3.07 0.11 0.00 -0.52 0.00 0.00 37.83 34.36 1tub s LYS 311 CO 0.00 -0.01 0.25 0.66 -0.92 0.00 0.00 175.35 175.33 1tub n TYR 312 N 4.31 -1.96 0.00 3.18 4.02 -1.23 -3.11 117.16 122.37 1tub n TYR 312 Ca -0.17 0.19 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1tub n TYR 312 Cb 0.52 -1.23 0.00 0.00 -0.02 0.00 0.00 39.34 38.60 1tub n TYR 312 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1tub n MET 313 N 0.14 0.00 -2.77 -0.72 2.81 0.81 -2.58 117.12 114.81 1tub n MET 313 Ca 0.04 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.51 1tub n MET 313 Cb 0.18 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.65 1tub n MET 313 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tub s ALA 314 N -2.00 3.28 -0.24 3.04 0.00 -1.12 -4.80 121.76 119.92 1tub s ALA 314 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.36 1tub s ALA 314 Cb 0.00 -3.30 0.06 0.00 0.00 0.00 0.00 23.12 19.89 1tub s ALA 314 CO 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 175.76 175.37 1tub s LEU 317 N 1.23 2.76 -0.28 0.00 1.43 0.21 0.19 118.68 124.22 1tub s LEU 317 Ca -0.05 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1tub s LEU 317 Cb -0.19 -1.62 0.07 0.00 0.03 0.00 0.00 46.19 44.47 1tub s LEU 317 CO -0.03 0.18 -0.07 -0.76 0.23 0.00 0.00 176.35 175.90 1tub s LEU 318 N 0.27 3.73 -0.15 1.79 1.43 -0.78 -0.77 118.68 124.20 1tub s LEU 318 Ca -0.09 -1.52 -0.08 0.00 -1.03 0.00 0.00 54.13 51.41 1tub s LEU 318 Cb -0.15 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1tub s LEU 318 CO 0.05 -0.23 0.11 -0.31 0.23 0.00 0.00 176.35 176.20 1tub s TYR 319 N 1.08 3.45 -0.07 0.29 1.51 0.40 -2.24 117.35 121.78 1tub s TYR 319 Ca -0.05 0.37 -0.03 0.00 -1.01 0.00 0.00 57.07 56.35 1tub s TYR 319 Cb -0.20 -2.02 0.04 0.00 -0.11 0.00 0.00 41.96 39.67 1tub s TYR 319 CO -0.05 0.49 0.16 -0.98 -1.11 0.00 0.00 175.55 174.06 1tub s ARG 320 N -0.37 0.09 0.00 -0.62 1.70 -1.23 0.33 118.95 118.86 1tub s ARG 320 Ca 0.11 0.43 0.00 0.00 -0.47 0.00 0.00 55.73 55.80 1tub s ARG 320 Cb -0.12 -0.19 0.00 0.00 -0.57 0.00 0.00 34.95 34.08 1tub s ARG 320 CO 0.01 -0.19 0.00 0.41 -1.08 0.00 0.00 175.30 174.45 1tub n GLY 321 N 4.44 -0.31 2.24 3.88 0.00 -0.28 -2.70 105.19 112.46 1tub n GLY 321 Ca -0.22 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 1tub n GLY 321 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tub n ASP 322 N -0.00 -2.91 -4.84 1.61 8.00 -1.25 -3.74 116.55 113.41 1tub n ASP 322 Ca 0.00 0.26 -0.32 0.00 0.71 0.00 0.00 54.79 55.44 1tub n ASP 322 Cb 0.00 -2.60 -0.05 0.00 -0.02 0.00 0.00 41.12 38.45 1tub n ASP 322 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1tub s VAL 323 N -2.26 4.56 -0.01 2.53 1.01 -1.26 -4.94 120.40 120.03 1tub s VAL 323 Ca 0.00 1.14 0.05 0.00 0.00 0.00 0.00 61.98 63.17 1tub s VAL 323 Cb 0.00 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1tub s VAL 323 CO 0.00 -0.51 -0.16 -0.69 0.00 0.00 0.00 175.10 173.74 1tub s VAL 324 N -2.39 2.89 0.27 2.92 1.01 -1.26 -5.01 120.40 118.83 1tub s VAL 324 Ca 0.58 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1tub s VAL 324 Cb -0.10 -2.16 0.25 0.00 0.00 0.00 0.00 36.38 34.37 1tub s VAL 324 CO 0.25 0.49 1.93 1.55 0.00 0.00 0.00 175.10 179.32 1tub h PRO 325 N 5.03 1.17 0.00 2.72 0.13 -2.00 0.28 132.00 139.33 1tub h PRO 325 Ca -0.47 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1tub h PRO 325 Cb 1.15 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1tub h PRO 325 CO 0.49 0.80 0.00 1.17 -0.23 0.00 0.00 178.00 180.23 1tub n LYS 326 N -4.38 0.60 0.05 0.86 4.81 -1.26 -2.10 118.16 116.75 1tub n LYS 326 Ca 0.10 0.02 -0.19 0.00 -0.87 0.00 0.00 58.31 57.37 1tub n LYS 326 Cb 0.04 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.45 1tub n LYS 326 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1tub h ASP 327 N 0.00 0.44 0.08 3.14 5.19 -0.84 -3.19 116.42 121.23 1tub h ASP 327 Ca 0.00 -0.69 -0.00 0.00 -0.62 0.00 0.00 57.03 55.72 1tub h ASP 327 Cb 0.15 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.52 1tub h ASP 327 CO 0.00 1.58 -0.04 0.58 -3.12 0.00 0.00 179.24 178.25 1tub h VAL 328 N 0.08 0.13 -0.17 -1.35 2.07 -1.12 0.23 116.25 116.11 1tub h VAL 328 Ca -0.30 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.25 1tub h VAL 328 Cb 2.05 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1tub h VAL 328 CO 0.15 0.04 0.12 0.78 0.02 0.00 0.00 177.57 178.68 1tub h ASN 329 N -1.02 0.00 0.00 0.57 2.35 -1.63 0.61 115.58 116.46 1tub h ASN 329 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1tub h ASN 329 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1tub h ASN 329 CO 0.02 0.00 -1.35 0.00 -1.65 0.00 0.00 177.43 174.45 1tub n ALA 330 N -2.56 3.63 -0.06 -0.83 0.00 -1.20 -3.72 120.51 115.77 1tub n ALA 330 Ca 0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 53.44 52.93 1tub n ALA 330 Cb 0.25 -0.67 -0.14 0.00 0.00 0.00 0.00 19.45 18.89 1tub n ALA 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tub n ALA 331 N -1.78 1.92 0.20 0.00 0.00 0.79 -4.17 120.51 117.47 1tub n ALA 331 Ca 0.00 -0.94 0.07 0.00 0.00 0.00 0.00 53.44 52.57 1tub n ALA 331 Cb 0.39 -0.29 0.34 0.00 0.00 0.00 0.00 19.45 19.89 1tub n ALA 331 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1tub h ILE 332 N 0.00 0.70 -0.32 0.00 2.04 0.08 -2.87 117.51 117.13 1tub h ILE 332 Ca -0.33 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.06 1tub h ILE 332 Cb 1.71 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.70 1tub h ILE 332 CO 0.02 0.31 0.03 0.00 0.00 0.00 0.00 178.15 178.50 1tub h ALA 333 N 1.69 0.43 -0.91 1.87 0.00 -1.70 -3.19 119.26 117.46 1tub h ALA 333 Ca -0.00 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 54.85 1tub h ALA 333 Cb 0.90 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 1tub h ALA 333 CO 0.04 0.16 0.49 1.79 0.00 0.00 0.00 179.25 181.73 1tub h THR 334 N 0.37 0.70 -0.46 0.00 1.35 -1.67 -0.54 112.91 112.66 1tub h THR 334 Ca 0.10 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.72 1tub h THR 334 Cb 0.40 -0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 66.78 1tub h THR 334 CO 0.01 0.12 0.25 0.40 -0.25 0.00 0.00 175.52 176.05 1tub h ILE 335 N 0.65 1.17 0.00 6.82 2.04 -1.59 0.63 117.51 127.23 1tub h ILE 335 Ca 0.51 -0.43 -0.13 0.00 1.00 0.00 0.00 64.86 65.82 1tub h ILE 335 Cb 0.77 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 1tub h ILE 335 CO -0.39 0.17 -0.25 1.17 0.00 0.00 0.00 178.15 178.86 1tub n LYS 336 N -4.68 1.65 0.00 2.37 4.81 -0.22 -1.68 118.16 120.41 1tub n LYS 336 Ca 0.01 -0.66 0.00 0.00 -0.87 0.00 0.00 58.31 56.79 1tub n LYS 336 Cb 0.08 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.47 1tub n LYS 336 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1tub n THR 337 N 2.17 0.00 -2.06 3.15 -2.24 0.19 -4.96 114.28 110.52 1tub n THR 337 Ca 0.28 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.79 1tub n THR 337 Cb 0.77 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 69.10 1tub n THR 337 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tub s LYS 338 N -0.12 1.75 0.09 -0.78 1.02 -0.67 -4.91 119.74 116.12 1tub s LYS 338 Ca 0.00 -0.21 -0.12 0.00 0.02 0.00 0.00 55.97 55.66 1tub s LYS 338 Cb 0.00 -2.03 -0.18 0.00 -0.52 0.00 0.00 37.83 35.09 1tub s LYS 338 CO 0.00 -1.63 1.24 0.00 -0.92 0.00 0.00 175.35 174.04 1tub h ARG 339 N -0.98 0.68 -4.77 1.68 3.08 -1.95 -3.41 114.38 108.70 1tub h ARG 339 Ca -0.44 -0.68 -0.70 0.00 0.07 0.00 0.00 59.98 58.23 1tub h ARG 339 Cb 1.30 0.18 -0.19 0.00 0.08 0.00 0.00 29.97 31.34 1tub h ARG 339 CO 0.56 1.27 -0.21 0.99 -1.07 0.00 0.00 179.97 181.51 1tub s THR 340 N -3.42 5.10 0.00 2.04 2.01 -1.26 -2.86 115.64 117.24 1tub s THR 340 Ca -0.09 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.43 1tub s THR 340 Cb 0.08 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1tub s THR 340 CO 0.91 -0.48 0.00 -0.38 -0.69 0.00 0.00 174.62 173.98 1tub n ILE 341 N 5.40 0.00 -4.23 1.82 2.08 -1.26 -4.97 119.36 118.20 1tub n ILE 341 Ca -0.08 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 62.92 1tub n ILE 341 Cb 0.47 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 39.27 1tub n ILE 341 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1tub n GLN 342 N 0.00 -0.90 -1.46 0.38 6.02 -1.14 -3.49 117.38 116.79 1tub n GLN 342 Ca 0.00 0.09 -0.36 0.00 -0.01 0.00 0.00 57.00 56.72 1tub n GLN 342 Cb 0.00 -3.56 0.07 0.00 1.02 0.00 0.00 30.24 27.77 1tub n GLN 342 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1tub n PHE 343 N -4.25 0.71 -0.70 1.08 3.72 -1.26 -3.53 117.46 113.22 1tub n PHE 343 Ca -0.23 0.41 -0.23 0.00 -0.05 0.00 0.00 57.45 57.35 1tub n PHE 343 Cb 0.61 -2.10 0.11 0.00 -0.94 0.00 0.00 39.48 37.15 1tub n PHE 343 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1tub n VAL 344 N -2.24 0.00 0.24 -4.37 0.31 -1.07 -4.87 118.33 106.33 1tub n VAL 344 Ca 0.13 -0.09 0.13 0.00 -0.01 0.00 0.00 64.34 64.51 1tub n VAL 344 Cb 0.49 -0.33 0.31 0.00 -0.91 0.00 0.00 33.84 33.40 1tub n VAL 344 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1tub h ASP 345 N -2.06 0.00 -2.06 4.52 5.19 -1.90 -3.35 116.42 116.76 1tub h ASP 345 Ca -0.31 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.57 1tub h ASP 345 Cb 0.94 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 40.05 1tub h ASP 345 CO 0.20 0.01 -1.05 -2.67 -3.12 0.00 0.00 179.24 172.61 1tub n TRP 346 N -3.10 0.87 -4.45 4.55 4.27 -1.26 -5.00 117.44 113.32 1tub n TRP 346 Ca 0.03 -3.81 -0.32 0.00 -3.89 0.00 0.00 57.50 49.51 1tub n TRP 346 Cb 0.47 -0.42 -0.16 0.00 -1.36 0.00 0.00 31.31 29.83 1tub n TRP 346 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1tub s PRO 348 N 1.01 1.74 -1.47 0.00 0.04 -1.26 -3.99 135.00 131.08 1tub s PRO 348 Ca -0.03 -2.55 -0.02 0.00 0.04 0.00 0.00 61.00 58.44 1tub s PRO 348 Cb -0.15 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1tub s PRO 348 CO -0.05 -1.21 0.31 0.25 0.04 0.00 0.00 177.00 176.34 1tub n THR 349 N 2.91 -1.41 -1.53 1.26 -2.24 -1.26 -4.67 114.28 107.34 1tub n THR 349 Ca 0.13 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.62 1tub n THR 349 Cb 0.36 -3.01 -0.11 0.00 -2.10 0.00 0.00 70.33 65.47 1tub n THR 349 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tub n GLY 350 N -1.26 -0.20 3.54 3.38 0.00 -1.26 -4.66 105.19 104.72 1tub n GLY 350 Ca -0.15 0.59 -0.00 0.00 0.00 0.00 0.00 46.02 46.46 1tub n GLY 350 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tub s PHE 351 N 9.65 -0.51 -0.24 1.61 0.40 -1.26 -4.86 117.98 122.77 1tub s PHE 351 Ca 1.14 0.96 -0.07 0.00 -0.60 0.00 0.00 56.93 58.35 1tub s PHE 351 Cb -0.59 0.30 -0.03 0.00 0.51 0.00 0.00 43.02 43.22 1tub s PHE 351 CO 0.34 -0.25 0.07 0.21 0.70 0.00 0.00 175.22 176.29 1tub s LYS 352 N 1.71 3.67 -0.07 0.44 2.20 0.94 -5.00 119.74 123.62 1tub s LYS 352 Ca -0.06 -0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.11 1tub s LYS 352 Cb -0.04 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1tub s LYS 352 CO -0.15 -0.16 -0.17 0.08 -0.36 0.00 0.00 175.35 174.58 1tub s VAL 353 N 1.54 1.52 0.10 4.02 1.01 -1.24 0.65 120.40 128.00 1tub s VAL 353 Ca 0.06 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.41 1tub s VAL 353 Cb -0.15 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1tub s VAL 353 CO 0.04 0.44 -0.23 -0.83 0.00 0.00 0.00 175.10 174.51 1tub s GLY 354 N 0.40 1.33 -0.11 4.51 0.00 0.05 -4.87 107.32 108.63 1tub s GLY 354 Ca -0.13 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.31 1tub s GLY 354 CO 0.05 -1.26 -0.13 -0.42 0.00 0.00 0.00 173.10 171.34 1tub s ILE 355 N -1.05 3.08 0.10 0.90 1.01 -0.87 0.15 121.20 124.52 1tub s ILE 355 Ca 0.09 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1tub s ILE 355 Cb -0.10 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1tub s ILE 355 CO 0.04 0.54 -0.08 0.20 0.00 0.00 0.00 174.94 175.64 1tub s ASN 356 N 0.06 1.29 0.10 3.58 0.01 0.15 -3.80 114.94 116.33 1tub s ASN 356 Ca -0.05 -0.88 0.03 0.00 -0.71 0.00 0.00 52.86 51.25 1tub s ASN 356 Cb -0.14 0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.52 1tub s ASN 356 CO 0.04 -0.35 -0.09 -0.31 -1.51 0.00 0.00 177.10 174.88 1tub s TYR 357 N -2.90 1.03 0.62 2.20 2.02 -1.26 -1.13 117.35 117.93 1tub s TYR 357 Ca 0.08 -0.70 -0.11 0.00 -0.37 0.00 0.00 57.07 55.96 1tub s TYR 357 Cb 0.00 -0.57 -0.04 0.00 -0.40 0.00 0.00 41.96 40.96 1tub s TYR 357 CO -0.02 -0.02 1.03 -1.21 -1.57 0.00 0.00 175.55 173.76 1tub s GLU 358 N -3.00 3.58 0.00 -0.62 2.02 -1.26 -4.72 118.70 114.70 1tub s GLU 358 Ca 0.07 0.76 0.00 0.00 0.02 0.00 0.00 54.97 55.81 1tub s GLU 358 Cb -0.01 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.14 1tub s GLU 358 CO -0.01 -0.58 0.00 -0.35 0.02 0.00 0.00 175.26 174.34 1tub n PRO 359 N -2.76 0.00 -2.88 0.39 -0.04 -1.26 -4.52 135.00 123.93 1tub n PRO 359 Ca 0.06 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.09 1tub n PRO 359 Cb 0.54 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.95 1tub n PRO 359 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1tub s PRO 360 N -0.17 3.52 0.99 0.54 0.04 -1.25 -4.65 135.00 134.02 1tub s PRO 360 Ca 0.00 0.10 -0.12 0.00 0.04 0.00 0.00 61.00 61.02 1tub s PRO 360 Cb 0.00 -3.91 0.18 0.00 0.04 0.00 0.00 34.50 30.81 1tub s PRO 360 CO 0.00 -1.14 1.09 0.99 0.04 0.00 0.00 177.00 177.98 1tub s THR 361 N 3.51 2.18 -0.01 1.26 2.01 -1.26 -4.75 115.64 118.59 1tub s THR 361 Ca 0.34 0.06 -0.28 0.00 0.31 0.00 0.00 61.69 62.11 1tub s THR 361 Cb -0.11 -2.53 0.10 0.00 0.01 0.00 0.00 72.50 69.97 1tub s THR 361 CO 0.24 -0.08 0.87 -0.69 -0.69 0.00 0.00 174.62 174.27 1tub s VAL 362 N -2.93 0.00 -0.25 3.82 1.01 -1.26 -5.01 120.40 115.77 1tub s VAL 362 Ca 0.65 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.53 1tub s VAL 362 Cb -0.19 -1.00 0.10 0.00 0.00 0.00 0.00 36.38 35.30 1tub s VAL 362 CO 0.58 0.00 0.55 -0.69 0.00 0.00 0.00 175.10 175.54 1tub s VAL 363 N -2.97 -0.66 0.00 2.92 1.01 -1.26 -5.12 120.40 114.32 1tub s VAL 363 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1tub s VAL 363 Cb -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1tub s VAL 363 CO -0.08 0.03 0.00 -0.81 0.00 0.00 0.00 175.10 174.24 1tub n PRO 364 N 5.18 0.00 0.09 2.72 -0.04 -1.26 -3.02 135.00 138.67 1tub n PRO 364 Ca -0.13 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.27 1tub n PRO 364 Cb 0.51 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.03 1tub n PRO 364 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1tub h GLY 365 N 0.00 0.17 2.00 0.55 0.00 -2.01 -2.13 103.07 101.65 1tub h GLY 365 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1tub h GLY 365 CO 0.00 0.23 -0.02 -1.33 0.00 0.00 0.00 176.54 175.42 1tub h GLY 366 N 1.82 0.00 0.38 4.60 0.00 -2.03 -3.30 103.07 104.53 1tub h GLY 366 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1tub h GLY 366 CO 0.11 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.87 1tub n ASP 367 N -3.19 0.00 0.00 0.19 8.00 -0.80 -5.05 116.55 115.70 1tub n ASP 367 Ca -0.01 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.09 1tub n ASP 367 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1tub n ASP 367 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1tub n LEU 368 N -0.69 0.00 0.00 0.64 4.77 -1.25 -4.90 117.00 115.57 1tub n LEU 368 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1tub n LEU 368 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1tub n LEU 368 CO 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.12 1tub n ALA 369 N 0.00 0.00 -3.19 -1.18 0.00 -0.96 -4.69 120.51 110.49 1tub n ALA 369 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1tub n ALA 369 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1tub n ALA 369 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1tub n LYS 370 N 0.00 0.73 -3.23 0.00 5.02 -1.26 -5.01 118.16 114.40 1tub n LYS 370 Ca 0.00 -3.23 -0.39 0.00 -2.02 0.00 0.00 58.31 52.67 1tub n LYS 370 Cb 0.00 -1.25 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 1tub n LYS 370 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1tub s VAL 371 N -1.28 4.79 -0.23 -0.18 1.01 -1.26 -4.97 120.40 118.28 1tub s VAL 371 Ca 0.35 1.25 0.12 0.00 0.00 0.00 0.00 61.98 63.70 1tub s VAL 371 Cb 0.19 -3.92 0.44 0.00 0.00 0.00 0.00 36.38 33.09 1tub s VAL 371 CO -0.11 0.50 1.32 0.00 0.00 0.00 0.00 175.10 176.81 1tub n GLN 372 N 2.10 1.73 -3.61 2.72 6.02 -1.26 -3.82 117.38 121.26 1tub n GLN 372 Ca -0.09 -3.14 -0.03 0.00 -0.01 0.00 0.00 57.00 53.73 1tub n GLN 372 Cb 0.51 -1.69 -0.05 0.00 1.02 0.00 0.00 30.24 30.02 1tub n GLN 372 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1tub s ARG 373 N -3.17 0.56 0.10 -1.09 0.52 -1.25 -3.92 118.95 110.70 1tub s ARG 373 Ca 0.40 1.16 0.08 0.00 -0.52 0.00 0.00 55.73 56.85 1tub s ARG 373 Cb 0.37 0.44 -0.03 0.00 0.52 0.00 0.00 34.95 36.24 1tub s ARG 373 CO -0.02 -0.15 -0.20 0.00 0.02 0.00 0.00 175.30 174.95 1tub s ALA 374 N 2.15 1.73 -0.07 2.13 0.00 -1.10 -4.52 121.76 122.09 1tub s ALA 374 Ca -0.07 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.66 1tub s ALA 374 Cb -0.07 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1tub s ALA 374 CO -0.19 0.32 -0.07 0.08 0.00 0.00 0.00 175.76 175.91 1tub s VAL 375 N -1.26 0.80 -0.18 0.00 1.01 -1.26 -3.57 120.40 115.94 1tub s VAL 375 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1tub s VAL 375 Cb -0.10 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.49 1tub s VAL 375 CO 0.04 0.30 -0.17 0.00 0.00 0.00 0.00 175.10 175.27 1tub s MET 377 N 1.22 2.78 -0.37 0.00 1.75 -0.78 -1.86 119.30 122.04 1tub s MET 377 Ca 0.03 -1.09 -0.11 0.00 -1.25 0.00 0.00 55.69 53.26 1tub s MET 377 Cb -0.14 -3.60 0.02 0.00 2.84 0.00 0.00 34.83 33.95 1tub s MET 377 CO -0.09 -0.66 0.21 -0.51 -0.65 0.00 0.00 175.02 173.32 1tub s LEU 378 N 1.50 4.68 0.06 4.11 1.43 0.13 -1.55 118.68 129.04 1tub s LEU 378 Ca 0.01 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 1tub s LEU 378 Cb -0.19 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1tub s LEU 378 CO 0.05 -0.36 -0.06 -0.94 0.23 0.00 0.00 176.35 175.26 1tub s SER 379 N 1.58 0.85 -0.57 2.29 1.04 -0.73 0.08 113.70 118.25 1tub s SER 379 Ca 0.03 -0.77 -0.03 0.00 0.48 0.00 0.00 55.95 55.65 1tub s SER 379 Cb -0.19 0.09 0.15 0.00 0.10 0.00 0.00 66.02 66.17 1tub s SER 379 CO 0.07 -0.36 0.39 0.20 0.98 0.00 0.00 173.24 174.52 1tub s ASN 380 N -2.28 5.31 0.22 7.02 0.01 0.34 -0.94 114.94 124.62 1tub s ASN 380 Ca -0.00 -2.59 0.08 0.00 -0.71 0.00 0.00 52.86 49.64 1tub s ASN 380 Cb -0.02 -1.87 -0.04 0.00 0.41 0.00 0.00 41.25 39.73 1tub s ASN 380 CO -0.03 -0.44 -0.00 0.42 -1.51 0.00 0.00 177.10 175.54 1tub s THR 381 N 0.32 3.59 0.44 1.60 -4.23 -1.26 0.28 115.64 116.38 1tub s THR 381 Ca 0.14 -1.65 0.27 0.00 -1.18 0.00 0.00 61.69 59.27 1tub s THR 381 Cb -0.21 -2.86 0.47 0.00 1.34 0.00 0.00 72.50 71.24 1tub s THR 381 CO -0.04 -0.23 1.70 0.71 -0.54 0.00 0.00 174.62 176.22 1tub h THR 382 N 2.20 0.30 -0.58 3.99 1.35 -1.78 -1.57 112.91 116.82 1tub h THR 382 Ca -0.46 -0.07 0.06 0.00 -0.55 0.00 0.00 66.41 65.39 1tub h THR 382 Cb 1.22 0.09 -0.09 0.00 -1.73 0.00 0.00 68.15 67.65 1tub h THR 382 CO 0.59 0.03 -0.51 0.00 -0.25 0.00 0.00 175.52 175.38 1tub h ALA 383 N 1.56 -0.64 -1.10 6.62 0.00 -1.83 2.07 119.26 125.95 1tub h ALA 383 Ca 0.71 0.04 0.32 0.00 0.00 0.00 0.00 54.91 55.98 1tub h ALA 383 Cb 2.18 1.19 -0.04 0.00 0.00 0.00 0.00 17.79 21.12 1tub h ALA 383 CO -0.31 -0.93 0.87 -0.89 0.00 0.00 0.00 179.25 177.99 1tub n ILE 384 N -5.06 0.00 0.11 0.00 2.08 -0.59 0.56 119.36 116.46 1tub n ILE 384 Ca -0.01 0.91 0.07 0.00 0.56 0.00 0.00 62.75 64.28 1tub n ILE 384 Cb 0.28 -1.54 0.40 0.00 -0.75 0.00 0.00 39.64 38.03 1tub n ILE 384 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1tub n ALA 385 N -2.40 1.03 -0.05 -1.39 0.00 0.70 0.15 120.51 118.55 1tub n ALA 385 Ca 0.25 0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.77 1tub n ALA 385 Cb 1.20 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 19.36 1tub n ALA 385 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tub n GLU 386 N -2.01 2.04 0.19 0.00 1.02 2.27 -4.12 120.64 120.02 1tub n GLU 386 Ca -0.01 0.01 0.03 0.00 -0.02 0.00 0.00 57.16 57.16 1tub n GLU 386 Cb 0.02 -1.27 0.36 0.00 -0.02 0.00 0.00 31.44 30.54 1tub n GLU 386 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tub h ALA 387 N 0.45 1.35 0.00 0.62 0.00 -0.36 -0.40 119.26 120.93 1tub h ALA 387 Ca -0.29 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 1tub h ALA 387 Cb 1.63 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1tub h ALA 387 CO 0.01 0.46 -0.39 -1.49 0.00 0.00 0.00 179.25 177.84 1tub h TRP 388 N 0.00 0.00 -0.28 0.00 -0.00 -1.71 -2.71 115.95 111.25 1tub h TRP 388 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.88 1tub h TRP 388 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.82 1tub h TRP 388 CO 0.00 0.39 0.15 0.00 -0.00 0.00 0.00 178.44 178.98 1tub h ALA 389 N 1.61 0.36 -0.73 1.49 0.00 -1.30 -1.09 119.26 119.61 1tub h ALA 389 Ca -0.00 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 54.99 1tub h ALA 389 Cb 0.88 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 1tub h ALA 389 CO 0.05 -0.10 0.13 0.00 0.00 0.00 0.00 179.25 179.33 1tub h ARG 390 N 0.34 0.22 -0.01 0.00 3.08 -0.90 1.20 114.38 118.30 1tub h ARG 390 Ca 0.10 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.96 1tub h ARG 390 Cb 0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1tub h ARG 390 CO -0.02 0.14 -0.79 -0.07 -1.07 0.00 0.00 179.97 178.16 1tub h LEU 391 N 0.22 0.17 -0.18 3.04 3.38 -1.16 -2.54 115.31 118.24 1tub h LEU 391 Ca 0.41 -0.13 -0.23 0.00 0.09 0.00 0.00 57.88 58.02 1tub h LEU 391 Cb 0.71 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.41 1tub h LEU 391 CO -0.54 0.89 -0.88 -0.78 0.09 0.00 0.00 178.44 177.22 1tub h ASP 392 N 0.08 0.70 -0.39 -0.43 1.82 0.07 -1.13 116.42 117.14 1tub h ASP 392 Ca -0.03 -0.52 -0.01 0.00 -0.39 0.00 0.00 57.03 56.08 1tub h ASP 392 Cb 1.39 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 41.17 1tub h ASP 392 CO 0.12 1.30 0.21 0.45 -1.61 0.00 0.00 179.24 179.70 1tub h HIS 393 N 0.35 0.58 -0.28 0.28 3.86 0.15 -1.34 115.15 118.75 1tub h HIS 393 Ca -0.07 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.05 1tub h HIS 393 Cb 1.51 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.78 1tub h HIS 393 CO 0.07 0.43 -0.11 0.87 0.86 0.00 0.00 177.93 180.05 1tub h LYS 394 N 0.59 0.57 0.11 2.45 1.57 -1.39 -3.24 116.57 117.24 1tub h LYS 394 Ca 0.15 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1tub h LYS 394 Cb 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1tub h LYS 394 CO -0.02 0.80 -0.05 0.35 -0.57 0.00 0.00 179.45 179.95 1tub h PHE 395 N 0.32 -0.14 0.00 -1.35 3.04 -0.50 0.70 116.94 119.01 1tub h PHE 395 Ca 0.07 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1tub h PHE 395 Cb 0.61 0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.17 1tub h PHE 395 CO 0.06 0.21 0.33 0.22 -2.02 0.00 0.00 178.31 177.10 1tub h ASP 396 N -0.51 0.00 0.00 0.41 1.82 -1.33 -1.90 116.42 114.91 1tub h ASP 396 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1tub h ASP 396 Cb 0.41 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.42 1tub h ASP 396 CO 0.03 0.00 -0.19 0.18 -1.61 0.00 0.00 179.24 177.64 1tub n LEU 397 N -2.34 0.00 -0.07 2.28 4.77 -1.02 -1.51 117.00 119.12 1tub n LEU 397 Ca -0.01 -0.17 -0.07 0.00 -0.03 0.00 0.00 56.01 55.73 1tub n LEU 397 Cb 0.36 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1tub n LEU 397 CO 0.08 0.00 -0.93 0.80 -1.33 0.00 0.00 177.39 176.01 1tub n MET 398 N -0.63 1.71 -0.02 3.23 1.56 0.24 -3.81 117.12 119.40 1tub n MET 398 Ca 0.00 0.01 -0.06 0.00 -0.27 0.00 0.00 57.70 57.38 1tub n MET 398 Cb 0.00 -1.32 -0.02 0.00 2.15 0.00 0.00 33.22 34.03 1tub n MET 398 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 1tub n TYR 399 N -2.54 0.00 -0.08 1.12 4.01 -1.04 -2.68 117.16 115.95 1tub n TYR 399 Ca -0.22 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.41 1tub n TYR 399 Cb 0.90 -0.20 -0.06 0.00 -0.31 0.00 0.00 39.34 39.67 1tub n TYR 399 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1tub h ALA 400 N -0.22 0.09 -0.70 -0.72 0.00 -1.72 -2.64 119.26 113.36 1tub h ALA 400 Ca -0.12 -0.68 0.08 0.00 0.00 0.00 0.00 54.91 54.19 1tub h ALA 400 Cb 0.95 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 19.12 1tub h ALA 400 CO -0.08 0.46 -0.34 1.17 0.00 0.00 0.00 179.25 180.46 1tub n LYS 401 N -4.57 -0.24 -3.37 0.00 4.81 -0.57 -4.00 118.16 110.23 1tub n LYS 401 Ca -0.15 1.06 -0.26 0.00 -0.87 0.00 0.00 58.31 58.09 1tub n LYS 401 Cb 0.39 -1.57 -0.09 0.00 0.02 0.00 0.00 35.03 33.78 1tub n LYS 401 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1tub n ARG 402 N -4.95 0.53 -4.03 1.64 1.74 -1.25 -5.00 116.66 105.35 1tub n ARG 402 Ca 0.04 -3.33 -0.34 0.00 -0.77 0.00 0.00 57.85 53.45 1tub n ARG 402 Cb 0.23 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 30.00 1tub n ARG 402 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tub s ALA 403 N -0.50 3.72 -2.17 7.54 0.00 -1.24 -4.92 121.76 124.18 1tub s ALA 403 Ca 0.33 -0.77 0.20 0.00 0.00 0.00 0.00 51.96 51.72 1tub s ALA 403 Cb 0.08 -1.75 0.53 0.00 0.00 0.00 0.00 23.12 21.97 1tub s ALA 403 CO -0.16 0.67 1.44 0.34 0.00 0.00 0.00 175.76 178.05 1tub n PHE 404 N 1.48 0.62 -3.00 0.00 7.35 -0.99 -4.71 117.46 118.21 1tub n PHE 404 Ca -0.15 -0.31 -0.43 0.00 -0.76 0.00 0.00 57.45 55.80 1tub n PHE 404 Cb 0.53 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.31 1tub n PHE 404 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1tub s VAL 405 N -1.38 4.69 0.00 -2.13 0.11 -1.26 -4.05 120.40 116.39 1tub s VAL 405 Ca 0.38 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.78 1tub s VAL 405 Cb 0.21 -4.29 0.00 0.00 -1.53 0.00 0.00 36.38 30.76 1tub s VAL 405 CO 0.28 -0.69 0.00 1.41 -3.33 0.00 0.00 175.10 172.77 1tub n HIS 406 N 6.60 0.00 0.00 1.54 8.25 -1.26 -4.78 115.22 125.57 1tub n HIS 406 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1tub n HIS 406 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1tub n HIS 406 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1tub n TRP 407 N -0.03 0.00 -0.34 4.41 7.02 -1.26 -4.06 117.44 123.19 1tub n TRP 407 Ca 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.52 1tub n TRP 407 Cb 0.00 -0.39 0.11 0.00 -2.42 0.00 0.00 31.31 28.62 1tub n TRP 407 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1tub n TYR 408 N -1.66 0.28 -0.21 -5.99 4.01 -1.26 -0.52 117.16 111.82 1tub n TYR 408 Ca 0.00 1.14 0.01 0.00 -0.16 0.00 0.00 57.90 58.89 1tub n TYR 408 Cb 0.00 -1.01 0.11 0.00 -0.31 0.00 0.00 39.34 38.13 1tub n TYR 408 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1tub h VAL 409 N 0.00 0.50 -0.75 -0.72 2.07 -1.77 0.19 116.25 115.76 1tub h VAL 409 Ca 0.42 -0.05 0.28 0.00 0.82 0.00 0.00 66.70 68.18 1tub h VAL 409 Cb 0.66 0.36 -0.10 0.00 -1.52 0.00 0.00 31.29 30.69 1tub h VAL 409 CO -0.95 0.02 0.46 0.61 0.02 0.00 0.00 177.57 177.73 1tub n GLY 410 N -1.36 -0.50 0.00 2.17 0.00 0.32 0.29 105.19 106.12 1tub n GLY 410 Ca 0.09 0.48 0.10 0.00 0.00 0.00 0.00 46.02 46.70 1tub n GLY 410 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tub n GLU 411 N -4.12 0.07 -2.54 1.61 -0.58 0.64 -5.06 120.64 110.67 1tub n GLU 411 Ca 0.24 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 1tub n GLU 411 Cb 0.90 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 1tub n GLU 411 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tub n GLY 412 N 1.47 -0.46 3.78 0.62 0.00 0.83 -4.24 105.19 107.19 1tub n GLY 412 Ca 0.03 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 1tub n GLY 412 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1tub s MET 413 N -2.00 3.59 0.22 1.61 -1.94 -1.26 -4.31 119.30 115.21 1tub s MET 413 Ca 0.00 1.57 0.10 0.00 -1.71 0.00 0.00 55.69 55.65 1tub s MET 413 Cb 0.00 -2.13 -0.05 0.00 2.01 0.00 0.00 34.83 34.66 1tub s MET 413 CO 0.00 -0.65 -0.19 -1.21 -0.01 0.00 0.00 175.02 172.96 1tub s GLU 414 N -3.12 1.47 0.00 2.03 2.02 -1.26 -4.77 118.70 115.08 1tub s GLU 414 Ca 0.69 -1.59 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1tub s GLU 414 Cb -0.23 -1.56 0.00 0.00 0.10 0.00 0.00 34.13 32.45 1tub s GLU 414 CO 0.26 0.30 0.00 0.39 0.02 0.00 0.00 175.26 176.24 1tub n GLU 415 N -0.13 0.00 -4.33 1.61 1.02 -1.26 -4.70 120.64 112.85 1tub n GLU 415 Ca -0.09 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.83 1tub n GLU 415 Cb 0.58 -2.05 -0.13 0.00 -0.02 0.00 0.00 31.44 29.82 1tub n GLU 415 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1tub s GLY 416 N -2.00 0.97 0.00 0.62 0.00 -1.26 -4.35 107.32 101.30 1tub s GLY 416 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.71 1tub s GLY 416 CO 0.00 -1.00 0.00 -2.21 0.00 0.00 0.00 173.10 169.89 1tub n GLU 417 N 1.51 0.00 0.00 2.90 2.13 -1.26 -4.64 120.64 121.28 1tub n GLU 417 Ca -0.19 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.61 1tub n GLU 417 Cb 0.54 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.24 1tub n GLU 417 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1tub n PHE 418 N 0.00 0.00 -0.11 4.31 3.72 -1.26 -4.30 117.46 119.82 1tub n PHE 418 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 1tub n PHE 418 Cb 0.00 -0.13 0.02 0.00 -0.94 0.00 0.00 39.48 38.44 1tub n PHE 418 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1tub h SER 419 N -0.25 0.92 0.71 4.37 4.64 -1.82 -1.91 113.55 120.20 1tub h SER 419 Ca 0.00 -0.38 -0.12 0.00 -0.47 0.00 0.00 61.79 60.82 1tub h SER 419 Cb 0.25 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1tub h SER 419 CO 0.00 1.14 -0.59 -0.33 -0.87 0.00 0.00 176.83 176.19 1tub h GLU 420 N 0.74 0.00 0.00 4.77 4.39 -1.87 -2.61 114.58 120.00 1tub h GLU 420 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1tub h GLU 420 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1tub h GLU 420 CO 0.08 0.59 -0.14 0.00 -1.16 0.00 0.00 179.01 178.37 1tub n ALA 421 N -2.39 2.47 -0.03 3.43 0.00 -0.95 -2.13 120.51 120.91 1tub n ALA 421 Ca -0.01 -0.09 -0.16 0.00 0.00 0.00 0.00 53.44 53.18 1tub n ALA 421 Cb 0.62 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 1tub n ALA 421 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1tub n ARG 422 N -2.09 0.70 0.09 0.00 0.63 -0.76 -3.16 116.66 112.08 1tub n ARG 422 Ca 0.05 0.23 -0.13 0.00 -0.92 0.00 0.00 57.85 57.08 1tub n ARG 422 Cb 0.41 -1.69 -0.12 0.00 0.45 0.00 0.00 32.46 31.52 1tub n ARG 422 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1tub h GLU 423 N 0.03 0.21 0.09 -0.14 5.08 -1.54 0.10 114.58 118.40 1tub h GLU 423 Ca -0.41 -0.34 -0.29 0.00 -1.00 0.00 0.00 59.36 57.32 1tub h GLU 423 Cb 2.03 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 31.39 1tub h GLU 423 CO 0.06 1.14 -1.46 -0.44 -1.00 0.00 0.00 179.01 177.30 1tub h ASP 424 N 0.07 0.28 1.33 1.42 5.19 -1.61 -2.69 116.42 120.41 1tub h ASP 424 Ca -0.09 -0.39 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1tub h ASP 424 Cb 1.86 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 41.28 1tub h ASP 424 CO 0.18 1.32 -0.44 -0.03 -3.12 0.00 0.00 179.24 177.15 1tub h MET 425 N 0.05 0.00 0.00 3.56 4.05 -1.65 -3.30 114.93 117.64 1tub h MET 425 Ca -0.21 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 1tub h MET 425 Cb 1.97 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.77 1tub h MET 425 CO 0.15 0.00 0.00 0.00 0.23 0.00 0.00 176.91 177.29 1tub n ALA 426 N -1.99 -0.15 0.23 0.39 0.00 0.02 -2.94 120.51 116.08 1tub n ALA 426 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.53 1tub n ALA 426 Cb 0.49 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.07 1tub n ALA 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tub h ALA 427 N -2.00 2.14 -0.86 0.00 0.00 -1.65 16.88 119.26 133.76 1tub h ALA 427 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1tub h ALA 427 Cb 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1tub h ALA 427 CO 0.00 -1.09 0.51 1.25 0.00 0.00 0.00 179.25 179.92 1tub h LEU 428 N 0.00 0.77 -0.31 0.00 5.85 -1.61 6.93 115.31 126.94 1tub h LEU 428 Ca 0.09 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1tub h LEU 428 Cb 2.09 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.99 1tub h LEU 428 CO -0.00 0.46 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.17 1tub h GLU 429 N 0.88 0.59 -0.04 1.25 5.08 3.88 0.19 114.58 126.41 1tub h GLU 429 Ca 0.40 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1tub h GLU 429 Cb 0.31 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1tub h GLU 429 CO -0.22 0.77 -0.27 0.87 -1.00 0.00 0.00 179.01 179.15 1tub h LYS 430 N 0.37 0.26 -0.78 2.33 1.57 -0.65 -2.25 116.57 117.42 1tub h LYS 430 Ca 0.08 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 1tub h LYS 430 Cb 0.54 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1tub h LYS 430 CO 0.03 0.89 0.30 -0.44 -0.57 0.00 0.00 179.45 179.65 1tub h ASP 431 N -0.29 1.07 0.20 0.86 3.32 1.44 -1.25 116.42 121.77 1tub h ASP 431 Ca -0.02 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1tub h ASP 431 Cb 0.95 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1tub h ASP 431 CO 0.06 0.96 -0.16 0.22 -1.72 0.00 0.00 179.24 178.59 1tub h TYR 432 N 1.13 -0.42 -0.75 4.55 3.20 -0.68 -2.14 116.97 121.86 1tub h TYR 432 Ca 0.26 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.19 1tub h TYR 432 Cb 0.23 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.60 1tub h TYR 432 CO 0.02 -0.25 0.44 0.93 -1.64 0.00 0.00 178.16 177.67 1tub h GLU 433 N -0.37 0.79 0.00 1.82 5.08 -1.05 0.17 114.58 121.02 1tub h GLU 433 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1tub h GLU 433 Cb 0.33 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1tub h GLU 433 CO -0.02 0.53 0.00 0.39 -1.00 0.00 0.00 179.01 178.91 1tub n GLU 434 N -4.71 0.15 0.29 2.33 1.02 -0.50 -2.35 120.64 116.87 1tub n GLU 434 Ca 0.10 0.34 0.18 0.00 -0.02 0.00 0.00 57.16 57.76 1tub n GLU 434 Cb 0.17 -1.77 0.76 0.00 -0.02 0.00 0.00 31.44 30.58 1tub n GLU 434 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1tub h VAL 435 N 0.00 0.00 -0.51 2.62 2.07 0.02 -3.35 116.25 117.10 1tub h VAL 435 Ca 0.00 -0.44 -0.30 0.00 0.82 0.00 0.00 66.70 66.78 1tub h VAL 435 Cb 0.39 1.44 -0.21 0.00 -1.52 0.00 0.00 31.29 31.40 1tub h VAL 435 CO 0.00 0.00 -0.64 0.61 0.02 0.00 0.00 177.57 177.56 1tub n GLY 436 N -0.12 0.87 0.00 2.17 0.00 -0.99 -4.91 105.19 102.20 1tub n GLY 436 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1tub n GLY 436 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1tub n VAL 437 N 1.32 0.00 -3.93 1.61 0.31 -1.16 -4.84 118.33 111.63 1tub n VAL 437 Ca 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.34 1tub n VAL 437 Cb 0.62 1.32 -0.02 0.00 -0.91 0.00 0.00 33.84 34.85 1tub n VAL 437 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1tub s ASP 438 N 0.00 0.22 0.22 4.52 1.01 -1.26 -5.04 116.67 116.33 1tub s ASP 438 Ca 0.00 -1.13 0.04 0.00 0.71 0.00 0.00 52.55 52.16 1tub s ASP 438 Cb 0.00 0.73 0.18 0.00 1.01 0.00 0.00 42.92 44.84 1tub s ASP 438 CO 0.00 -1.42 1.51 0.77 0.21 0.00 0.00 175.17 176.24 1tub h SER 439 N 2.08 0.28 0.00 0.27 4.64 -1.99 -3.47 113.55 115.36 1tub h SER 439 Ca -0.28 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1tub h SER 439 Cb 1.25 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1tub h SER 439 CO 0.37 0.87 0.00 0.52 -0.87 0.00 0.00 176.83 177.72