#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u11 s ALA 21 N 0.00 3.59 0.31 -1.46 0.00 -1.26 -4.77 121.76 118.17 1u11 s ALA 21 Ca 0.00 1.53 -0.29 0.00 0.00 0.00 0.00 51.96 53.19 1u11 s ALA 21 Cb 0.00 -3.60 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 1u11 s ALA 21 CO 0.00 -0.98 1.44 -1.25 0.00 0.00 0.00 175.76 174.97 1u11 s PRO 22 N -1.75 4.23 0.00 0.00 0.04 -1.26 -4.75 135.00 131.51 1u11 s PRO 22 Ca 0.54 2.39 0.06 0.00 0.04 0.00 0.00 61.00 64.03 1u11 s PRO 22 Cb -0.46 -3.05 -0.06 0.00 0.04 0.00 0.00 34.50 30.97 1u11 s PRO 22 CO 0.59 -0.42 0.28 1.33 0.04 0.00 0.00 177.00 178.81 1u11 n VAL 23 N 1.50 0.00 -4.32 -0.36 0.24 -0.33 -4.19 118.33 110.87 1u11 n VAL 23 Ca 0.04 -0.37 -0.19 0.00 -2.04 0.00 0.00 64.34 61.78 1u11 n VAL 23 Cb 0.40 1.01 -0.15 0.00 -1.47 0.00 0.00 33.84 33.62 1u11 n VAL 23 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1u11 s VAL 24 N -1.49 0.67 -0.17 3.34 1.01 -1.19 0.14 120.40 122.72 1u11 s VAL 24 Ca 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 1u11 s VAL 24 Cb 0.04 -0.60 -0.00 0.00 0.00 0.00 0.00 36.38 35.82 1u11 s VAL 24 CO 0.23 0.21 -0.13 -0.83 0.00 0.00 0.00 175.10 174.58 1u11 s GLY 25 N 0.19 1.50 -0.29 4.51 0.00 -0.64 -1.91 107.32 110.69 1u11 s GLY 25 Ca -0.03 -1.08 -0.09 0.00 0.00 0.00 0.00 44.72 43.52 1u11 s GLY 25 CO 0.00 0.13 0.14 -0.42 0.00 0.00 0.00 173.10 172.95 1u11 s ILE 26 N 0.97 4.69 0.08 0.90 1.01 0.29 -0.53 121.20 128.61 1u11 s ILE 26 Ca -0.02 -0.21 0.09 0.00 0.00 0.00 0.00 60.65 60.51 1u11 s ILE 26 Cb -0.15 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 1u11 s ILE 26 CO -0.02 0.19 -0.23 0.27 0.00 0.00 0.00 174.94 175.14 1u11 s ILE 27 N 1.65 1.91 0.02 2.92 -4.36 0.39 -0.61 121.20 123.11 1u11 s ILE 27 Ca 0.06 -1.46 -0.03 0.00 -0.26 0.00 0.00 60.65 58.96 1u11 s ILE 27 Cb -0.16 -1.68 -0.01 0.00 1.25 0.00 0.00 42.46 41.85 1u11 s ILE 27 CO 0.07 0.14 0.03 0.00 0.24 0.00 0.00 174.94 175.42 1u11 s MET 28 N -1.59 0.40 0.31 0.37 0.23 -0.76 -1.19 119.30 117.07 1u11 s MET 28 Ca 0.10 -0.58 -0.01 0.00 -1.03 0.00 0.00 55.69 54.16 1u11 s MET 28 Cb -0.10 0.15 0.50 0.00 -1.53 0.00 0.00 34.83 33.85 1u11 s MET 28 CO 0.03 -0.08 1.97 0.78 -2.03 0.00 0.00 175.02 175.70 1u11 h GLY 29 N 4.39 1.12 -1.56 3.16 0.00 -1.42 0.18 103.07 108.93 1u11 h GLY 29 Ca -0.32 -0.41 0.05 0.00 0.00 0.00 0.00 47.33 46.65 1u11 h GLY 29 CO 0.43 0.39 0.31 -1.35 0.00 0.00 0.00 176.54 176.32 1u11 s SER 30 N -6.30 -0.10 0.49 0.19 1.04 -1.26 -3.97 113.70 103.79 1u11 s SER 30 Ca -0.11 -0.85 0.15 0.00 0.48 0.00 0.00 55.95 55.62 1u11 s SER 30 Cb 0.18 0.74 1.17 0.00 0.10 0.00 0.00 66.02 68.22 1u11 s SER 30 CO 0.79 -1.44 2.09 -0.61 0.98 0.00 0.00 173.24 175.06 1u11 h GLN 31 N 2.00 0.15 0.00 4.02 5.75 -2.00 -0.64 115.11 124.39 1u11 h GLN 31 Ca -0.27 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 1u11 h GLN 31 Cb 1.24 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.76 1u11 h GLN 31 CO 0.33 0.10 0.00 0.77 -2.65 0.00 0.00 178.83 177.38 1u11 h SER 32 N 0.16 0.00 0.48 -0.69 0.02 -2.00 -1.34 113.55 110.18 1u11 h SER 32 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1u11 h SER 32 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1u11 h SER 32 CO -0.01 0.00 -0.56 0.47 -1.14 0.00 0.00 176.83 175.58 1u11 n ASP 33 N -2.92 0.55 -0.35 3.07 8.00 -0.25 -4.32 116.55 120.33 1u11 n ASP 33 Ca -0.02 -0.29 -0.03 0.00 0.71 0.00 0.00 54.79 55.17 1u11 n ASP 33 Cb 0.13 0.32 0.10 0.00 -0.02 0.00 0.00 41.12 41.65 1u11 n ASP 33 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1u11 h TRP 34 N 0.00 1.23 -0.43 1.24 -0.00 -1.30 -0.24 115.95 116.45 1u11 h TRP 34 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.89 59.01 1u11 h TRP 34 Cb 0.52 -0.40 -0.02 0.00 -0.00 0.00 0.00 29.16 29.26 1u11 h TRP 34 CO 0.00 0.81 0.35 1.49 -0.00 0.00 0.00 178.44 181.09 1u11 h GLU 35 N 1.29 0.00 0.00 2.65 4.57 -1.76 0.85 114.58 122.17 1u11 h GLU 35 Ca 0.34 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.31 1u11 h GLU 35 Cb -0.07 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 1u11 h GLU 35 CO -0.06 0.00 -1.19 2.41 -1.18 0.00 0.00 179.01 178.98 1u11 n THR 36 N -4.16 1.52 0.34 0.32 -1.04 -0.77 -4.39 114.28 106.10 1u11 n THR 36 Ca 0.07 -0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.22 1u11 n THR 36 Cb 0.54 -2.09 0.60 0.00 -1.82 0.00 0.00 70.33 67.56 1u11 n THR 36 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1u11 h MET 37 N -1.00 0.00 0.00 -2.82 2.86 -0.72 -2.90 114.93 110.35 1u11 h MET 37 Ca -0.31 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1u11 h MET 37 Cb 1.20 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 1u11 h MET 37 CO -0.19 0.00 -0.05 0.07 1.06 0.00 0.00 176.91 177.80 1u11 h ARG 38 N 0.00 0.00 -0.01 1.72 0.11 -1.04 -1.05 114.38 114.10 1u11 h ARG 38 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 1u11 h ARG 38 Cb 0.37 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 1u11 h ARG 38 CO 0.00 0.05 -0.41 0.45 0.10 0.00 0.00 179.97 180.16 1u11 h HIS 39 N 0.00 0.02 -0.05 4.08 3.86 -1.77 0.20 115.15 121.50 1u11 h HIS 39 Ca -0.00 -0.01 -0.20 0.00 -1.16 0.00 0.00 60.37 59.00 1u11 h HIS 39 Cb 0.15 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 28.63 1u11 h HIS 39 CO 0.00 0.43 -0.77 0.00 0.86 0.00 0.00 177.93 178.45 1u11 h ALA 40 N 1.57 0.16 -0.20 2.45 0.00 -1.31 -2.77 119.26 119.15 1u11 h ALA 40 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1u11 h ALA 40 Cb 0.73 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1u11 h ALA 40 CO 0.05 0.53 0.13 0.22 0.00 0.00 0.00 179.25 180.18 1u11 h ASP 41 N 0.22 0.23 -0.85 0.00 3.58 -1.16 -2.01 116.42 116.44 1u11 h ASP 41 Ca -0.08 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.37 1u11 h ASP 41 Cb 1.43 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 42.38 1u11 h ASP 41 CO 0.15 0.17 0.56 0.00 -2.88 0.00 0.00 179.24 177.25 1u11 h ALA 42 N 1.07 1.09 -0.21 -0.78 0.00 -1.02 -1.97 119.26 117.43 1u11 h ALA 42 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1u11 h ALA 42 Cb -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1u11 h ALA 42 CO -0.02 0.46 0.05 1.25 0.00 0.00 0.00 179.25 180.99 1u11 h LEU 43 N 1.13 0.32 -1.10 0.00 7.12 -1.26 -0.83 115.31 120.68 1u11 h LEU 43 Ca 0.32 -0.24 -0.01 0.00 0.13 0.00 0.00 57.88 58.08 1u11 h LEU 43 Cb -0.10 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 39.91 1u11 h LEU 43 CO -0.08 0.48 0.44 -0.07 -0.13 0.00 0.00 178.44 179.07 1u11 h LEU 44 N 0.15 0.94 -0.49 2.25 3.38 -1.17 -1.73 115.31 118.64 1u11 h LEU 44 Ca 0.07 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1u11 h LEU 44 Cb 0.28 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1u11 h LEU 44 CO 0.00 0.75 -0.06 0.74 0.09 0.00 0.00 178.44 179.95 1u11 h THR 45 N 1.07 1.27 -0.74 0.22 2.02 -1.17 0.12 112.91 115.69 1u11 h THR 45 Ca 0.27 -1.18 0.02 0.00 0.77 0.00 0.00 66.41 66.30 1u11 h THR 45 Cb 0.00 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1u11 h THR 45 CO -0.05 0.41 0.49 -0.08 0.37 0.00 0.00 175.52 176.66 1u11 h GLU 46 N 0.76 0.94 -0.21 6.66 4.81 -0.54 -0.78 114.58 126.22 1u11 h GLU 46 Ca 0.13 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1u11 h GLU 46 Cb 0.60 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1u11 h GLU 46 CO 0.04 0.62 0.00 1.28 -0.73 0.00 0.00 179.01 180.22 1u11 n LEU 47 N -4.44 1.69 -3.62 1.64 4.77 -0.71 -4.94 117.00 111.39 1u11 n LEU 47 Ca 0.09 -0.75 -0.21 0.00 -0.03 0.00 0.00 56.01 55.11 1u11 n LEU 47 Cb 0.07 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1u11 n LEU 47 CO 0.36 0.37 0.03 -0.62 -1.33 0.00 0.00 177.39 176.20 1u11 n GLU 48 N 0.35 -5.77 -3.68 3.23 1.02 -0.30 -4.98 120.64 110.51 1u11 n GLU 48 Ca 0.15 0.71 -0.38 0.00 -0.02 0.00 0.00 57.16 57.62 1u11 n GLU 48 Cb 0.31 -5.49 -0.12 0.00 -0.02 0.00 0.00 31.44 26.12 1u11 n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1u11 s ILE 49 N -3.51 4.44 0.22 -3.67 1.01 -0.04 -5.03 121.20 114.62 1u11 s ILE 49 Ca 0.10 -0.49 -0.32 0.00 0.00 0.00 0.00 60.65 59.94 1u11 s ILE 49 Cb -0.05 -3.27 -0.12 0.00 0.01 0.00 0.00 42.46 39.03 1u11 s ILE 49 CO 0.78 0.07 1.72 -2.65 0.00 0.00 0.00 174.94 174.86 1u11 n PRO 50 N 4.95 2.79 -3.82 2.79 -0.02 -1.26 -4.53 135.00 135.90 1u11 n PRO 50 Ca -0.14 1.01 -0.09 0.00 -2.02 0.00 0.00 63.50 62.26 1u11 n PRO 50 Cb 0.49 -2.85 -0.03 0.00 -0.02 0.00 0.00 33.50 31.08 1u11 n PRO 50 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1u11 s HIS 51 N 1.06 -0.06 0.06 6.00 -3.43 -1.26 -1.19 115.29 116.47 1u11 s HIS 51 Ca 0.74 -0.32 0.09 0.00 -0.80 0.00 0.00 55.06 54.77 1u11 s HIS 51 Cb -0.50 0.47 -0.03 0.00 -1.43 0.00 0.00 32.58 31.09 1u11 s HIS 51 CO 0.34 -1.05 -0.25 -1.83 -2.00 0.00 0.00 174.74 169.95 1u11 s GLU 52 N -3.92 1.62 -0.21 -0.38 -1.05 -0.80 -4.82 118.70 109.14 1u11 s GLU 52 Ca 0.12 -1.13 0.01 0.00 -0.15 0.00 0.00 54.97 53.81 1u11 s GLU 52 Cb -0.03 -1.86 0.05 0.00 -0.44 0.00 0.00 34.13 31.85 1u11 s GLU 52 CO 0.03 0.47 -0.07 0.99 0.95 0.00 0.00 175.26 177.63 1u11 s THR 53 N -0.87 1.49 0.24 1.83 2.01 -1.26 -0.55 115.64 118.53 1u11 s THR 53 Ca 0.11 -1.03 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1u11 s THR 53 Cb -0.10 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 1u11 s THR 53 CO 0.03 0.04 0.05 -0.76 -0.69 0.00 0.00 174.62 173.29 1u11 s LEU 54 N 1.44 1.92 -0.18 4.42 1.43 0.22 -5.00 118.68 122.93 1u11 s LEU 54 Ca -0.03 -1.30 -0.05 0.00 -1.03 0.00 0.00 54.13 51.72 1u11 s LEU 54 Cb -0.17 -0.10 -0.03 0.00 0.03 0.00 0.00 46.19 45.91 1u11 s LEU 54 CO -0.07 -0.63 0.01 -0.63 0.23 0.00 0.00 176.35 175.26 1u11 s ILE 55 N -3.61 4.18 -0.12 -0.59 1.01 -1.26 -1.84 121.20 118.98 1u11 s ILE 55 Ca 0.32 -0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 1u11 s ILE 55 Cb 0.07 -2.88 0.06 0.00 0.01 0.00 0.00 42.46 39.72 1u11 s ILE 55 CO 0.11 0.45 0.20 -0.69 0.00 0.00 0.00 174.94 175.00 1u11 s VAL 56 N 0.67 -0.31 -0.26 2.92 1.01 0.63 -4.88 120.40 120.17 1u11 s VAL 56 Ca 0.00 0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.12 1u11 s VAL 56 Cb -0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1u11 s VAL 56 CO 0.02 0.07 0.15 -0.55 0.00 0.00 0.00 175.10 174.79 1u11 s SER 57 N 2.33 5.81 0.32 3.32 0.15 -1.25 -3.49 113.70 120.88 1u11 s SER 57 Ca 0.03 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.67 1u11 s SER 57 Cb -0.13 -2.06 0.53 0.00 -1.71 0.00 0.00 66.02 62.65 1u11 s SER 57 CO -0.08 -0.02 1.87 0.00 1.20 0.00 0.00 173.24 176.21 1u11 h ALA 58 N 8.14 1.33 0.03 5.45 0.00 -1.89 0.61 119.26 132.93 1u11 h ALA 58 Ca -0.36 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.05 1u11 h ALA 58 Cb 1.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1u11 h ALA 58 CO 0.58 0.47 -1.81 0.72 0.00 0.00 0.00 179.25 179.21 1u11 n HIS 59 N -4.30 0.99 -0.04 0.00 8.25 -1.26 -3.60 115.22 115.27 1u11 n HIS 59 Ca 0.03 0.32 -0.05 0.00 -0.26 0.00 0.00 57.72 57.76 1u11 n HIS 59 Cb 0.21 -1.17 -0.14 0.00 1.12 0.00 0.00 29.99 30.02 1u11 n HIS 59 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1u11 n ARG 60 N -3.12 0.66 -3.12 -0.41 1.74 -1.22 -4.59 116.66 106.60 1u11 n ARG 60 Ca -0.21 0.10 -0.22 0.00 -0.77 0.00 0.00 57.85 56.75 1u11 n ARG 60 Cb 1.06 -1.66 -0.04 0.00 -1.02 0.00 0.00 32.46 30.80 1u11 n ARG 60 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1u11 n THR 61 N -2.80 1.05 -0.12 0.55 -2.24 0.20 -4.95 114.28 105.97 1u11 n THR 61 Ca -0.20 -4.92 0.02 0.00 -2.27 0.00 0.00 64.05 56.68 1u11 n THR 61 Cb 0.99 -0.93 0.33 0.00 -2.10 0.00 0.00 70.33 68.62 1u11 n THR 61 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1u11 h PRO 62 N 3.17 0.78 -0.07 -0.78 0.13 -1.61 -1.78 132.00 131.84 1u11 h PRO 62 Ca 0.11 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 65.03 1u11 h PRO 62 Cb 0.78 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1u11 h PRO 62 CO 0.63 0.52 -0.67 -0.44 -0.23 0.00 0.00 178.00 177.81 1u11 h ASP 63 N 0.81 0.36 -0.80 1.44 3.32 -1.90 -1.19 116.42 118.46 1u11 h ASP 63 Ca 0.22 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1u11 h ASP 63 Cb -0.08 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 1u11 h ASP 63 CO -0.05 0.93 0.32 -0.09 -1.72 0.00 0.00 179.24 178.63 1u11 h ARG 64 N 0.22 1.20 -0.12 3.56 2.43 -1.78 -1.53 114.38 118.36 1u11 h ARG 64 Ca -0.02 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 58.91 1u11 h ARG 64 Cb 1.21 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1u11 h ARG 64 CO 0.11 0.97 -0.01 1.25 -1.51 0.00 0.00 179.97 180.78 1u11 h LEU 65 N 1.17 0.23 -0.48 3.80 5.85 -1.12 -1.35 115.31 123.41 1u11 h LEU 65 Ca 0.27 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.72 1u11 h LEU 65 Cb 0.22 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1u11 h LEU 65 CO -0.02 0.51 0.15 0.00 -0.34 0.00 0.00 178.44 178.74 1u11 h ALA 66 N 0.73 0.57 -0.45 1.25 0.00 -1.00 -0.29 119.26 120.06 1u11 h ALA 66 Ca 0.03 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1u11 h ALA 66 Cb 0.40 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1u11 h ALA 66 CO 0.01 -0.25 0.13 0.22 0.00 0.00 0.00 179.25 179.37 1u11 h ASP 67 N 0.31 0.67 0.10 0.00 3.58 -1.25 -0.81 116.42 119.03 1u11 h ASP 67 Ca 0.23 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1u11 h ASP 67 Cb 0.25 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1u11 h ASP 67 CO -0.25 0.70 -0.05 0.22 -2.88 0.00 0.00 179.24 176.98 1u11 h TYR 68 N 0.59 -0.13 -0.38 0.28 3.20 -0.69 -1.97 116.97 117.88 1u11 h TYR 68 Ca 0.14 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 1u11 h TYR 68 Cb 0.28 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1u11 h TYR 68 CO 0.01 -0.06 -0.04 0.00 -1.64 0.00 0.00 178.16 176.43 1u11 h ALA 69 N 0.74 0.51 -0.88 1.82 0.00 -1.05 -1.73 119.26 118.68 1u11 h ALA 69 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1u11 h ALA 69 Cb 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1u11 h ALA 69 CO 0.02 0.33 0.53 -0.09 0.00 0.00 0.00 179.25 180.04 1u11 h ARG 70 N 0.51 1.19 -0.02 0.00 2.43 -1.11 -2.99 114.38 114.39 1u11 h ARG 70 Ca 0.10 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1u11 h ARG 70 Cb 0.54 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1u11 h ARG 70 CO 0.03 0.83 -0.20 0.25 -1.51 0.00 0.00 179.97 179.37 1u11 n THR 71 N -4.36 0.00 -0.08 0.20 -2.24 -0.74 -4.56 114.28 102.49 1u11 n THR 71 Ca 0.10 -0.26 -0.07 0.00 -2.27 0.00 0.00 64.05 61.55 1u11 n THR 71 Cb 0.06 0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1u11 n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u11 h ALA 72 N 4.09 -0.01 -0.37 6.98 0.00 -1.15 -1.71 119.26 127.08 1u11 h ALA 72 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1u11 h ALA 72 Cb 0.66 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1u11 h ALA 72 CO 0.00 -0.61 0.24 0.00 0.00 0.00 0.00 179.25 178.87 1u11 h ALA 73 N 0.98 0.47 -0.54 0.00 0.00 -1.80 -2.06 119.26 116.30 1u11 h ALA 73 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1u11 h ALA 73 Cb 0.44 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1u11 h ALA 73 CO -0.43 -0.09 0.35 0.93 0.00 0.00 0.00 179.25 180.02 1u11 h GLU 74 N 0.48 0.72 0.00 0.00 5.08 -1.77 -1.15 114.58 117.94 1u11 h GLU 74 Ca 0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1u11 h GLU 74 Cb -0.03 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1u11 h GLU 74 CO -0.05 0.48 0.00 0.54 -1.00 0.00 0.00 179.01 178.98 1u11 n ARG 75 N -4.45 0.28 -0.08 2.33 1.74 -0.67 -4.88 116.66 110.92 1u11 n ARG 75 Ca 0.05 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1u11 n ARG 75 Cb 0.05 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1u11 n ARG 75 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u11 n GLY 76 N 0.67 0.68 3.77 -0.13 0.00 -0.43 -4.92 105.19 104.82 1u11 n GLY 76 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1u11 n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u11 s LEU 77 N 0.00 4.12 -0.11 0.99 1.43 -0.81 -4.57 118.68 119.73 1u11 s LEU 77 Ca 0.00 2.28 0.06 0.00 -1.03 0.00 0.00 54.13 55.44 1u11 s LEU 77 Cb 0.00 -4.12 -0.11 0.00 0.03 0.00 0.00 46.19 41.99 1u11 s LEU 77 CO 0.00 -0.73 -0.02 0.59 0.23 0.00 0.00 176.35 176.42 1u11 n ASN 78 N -0.13 2.67 -3.92 2.29 4.13 0.12 -4.46 115.26 115.96 1u11 n ASN 78 Ca 0.05 -0.03 -0.11 0.00 1.68 0.00 0.00 54.58 56.18 1u11 n ASN 78 Cb 0.47 0.37 -0.12 0.00 -1.54 0.00 0.00 39.78 38.97 1u11 n ASN 78 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1u11 s VAL 79 N -2.25 0.05 -0.10 2.41 1.01 -1.05 -4.11 120.40 116.36 1u11 s VAL 79 Ca -0.10 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1u11 s VAL 79 Cb 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 36.38 36.25 1u11 s VAL 79 CO 0.37 -0.25 -0.24 -0.63 0.00 0.00 0.00 175.10 174.36 1u11 s ILE 80 N -0.73 2.05 -0.24 2.22 1.01 -0.88 -1.62 121.20 123.01 1u11 s ILE 80 Ca -0.08 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.51 1u11 s ILE 80 Cb -0.05 -1.77 -0.00 0.00 0.01 0.00 0.00 42.46 40.65 1u11 s ILE 80 CO -0.00 0.56 -0.02 -0.63 0.00 0.00 0.00 174.94 174.84 1u11 s ILE 81 N 0.32 3.43 -0.09 2.92 1.01 0.31 -0.51 121.20 128.59 1u11 s ILE 81 Ca -0.18 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1u11 s ILE 81 Cb -0.18 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.67 1u11 s ILE 81 CO 0.09 0.33 -0.22 0.00 0.00 0.00 0.00 174.94 175.14 1u11 s ALA 82 N 1.47 2.01 -0.02 9.38 0.00 0.24 -0.46 121.76 134.37 1u11 s ALA 82 Ca 0.04 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.21 1u11 s ALA 82 Cb -0.15 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1u11 s ALA 82 CO -0.02 0.26 -0.25 0.20 0.00 0.00 0.00 175.76 175.95 1u11 s GLY 83 N 0.39 1.21 0.06 0.00 0.00 -0.33 -0.74 107.32 107.92 1u11 s GLY 83 Ca -0.18 -1.06 -0.26 0.00 0.00 0.00 0.00 44.72 43.22 1u11 s GLY 83 CO 0.08 -0.85 0.68 0.00 0.00 0.00 0.00 173.10 173.01 1u11 s ALA 84 N -0.53 -1.69 0.29 3.20 0.00 -1.02 -1.93 121.76 120.07 1u11 s ALA 84 Ca 0.08 0.84 0.08 0.00 0.00 0.00 0.00 51.96 52.97 1u11 s ALA 84 Cb -0.10 0.50 -0.06 0.00 0.00 0.00 0.00 23.12 23.46 1u11 s ALA 84 CO -0.00 -0.62 -0.09 0.20 0.00 0.00 0.00 175.76 175.24 1u11 s GLY 85 N -2.20 1.92 0.00 0.00 0.00 -1.26 -0.99 107.32 104.79 1u11 s GLY 85 Ca -0.02 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.76 1u11 s GLY 85 CO -0.05 -1.91 0.00 0.61 0.00 0.00 0.00 173.10 171.75 1u11 n GLY 86 N -0.64 1.41 3.58 0.20 0.00 -1.26 -3.80 105.19 104.67 1u11 n GLY 86 Ca -0.05 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1u11 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u11 s ALA 87 N -2.00 3.10 -0.64 4.61 0.00 -1.26 -2.64 121.76 122.93 1u11 s ALA 87 Ca 0.00 -2.76 -0.28 0.00 0.00 0.00 0.00 51.96 48.92 1u11 s ALA 87 Cb 0.00 -4.64 0.03 0.00 0.00 0.00 0.00 23.12 18.51 1u11 s ALA 87 CO 0.00 -3.52 1.21 0.00 0.00 0.00 0.00 175.76 173.45 1u11 s ALA 88 N 4.98 2.92 -0.39 0.00 0.00 -1.25 -4.84 121.76 123.19 1u11 s ALA 88 Ca 0.54 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 51.56 1u11 s ALA 88 Cb 0.03 -4.10 -0.11 0.00 0.00 0.00 0.00 23.12 18.93 1u11 s ALA 88 CO 0.06 -2.87 0.38 0.72 0.00 0.00 0.00 175.76 174.05 1u11 n HIS 89 N 8.73 0.00 -0.06 0.00 8.25 -1.26 -4.13 115.22 126.74 1u11 n HIS 89 Ca 0.06 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.45 1u11 n HIS 89 Cb 0.49 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.55 1u11 n HIS 89 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1u11 h LEU 90 N 0.00 -0.50 -0.22 2.41 5.85 -1.93 -0.86 115.31 120.06 1u11 h LEU 90 Ca 0.00 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1u11 h LEU 90 Cb 0.27 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1u11 h LEU 90 CO 0.00 -0.19 0.13 -0.65 -0.34 0.00 0.00 178.44 177.39 1u11 h PRO 91 N -0.13 0.30 -0.71 5.25 0.11 -1.85 -1.16 132.00 133.81 1u11 h PRO 91 Ca 0.14 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.19 1u11 h PRO 91 Cb 0.34 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 1u11 h PRO 91 CO -0.34 0.24 0.30 0.78 -0.21 0.00 0.00 178.00 178.77 1u11 h GLY 92 N 0.26 1.13 1.93 -0.55 0.00 -1.82 -1.40 103.07 102.62 1u11 h GLY 92 Ca 0.08 -0.60 -0.15 0.00 0.00 0.00 0.00 47.33 46.66 1u11 h GLY 92 CO -0.01 0.57 -0.67 -0.33 0.00 0.00 0.00 176.54 176.10 1u11 h MET 93 N 1.01 0.07 -0.38 4.80 2.86 -1.10 -2.05 114.93 120.14 1u11 h MET 93 Ca 0.24 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1u11 h MET 93 Cb 0.19 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1u11 h MET 93 CO -0.02 0.71 0.10 0.00 1.06 0.00 0.00 176.91 178.76 1u11 h ALA 95 N 0.95 1.67 0.00 0.00 0.00 -1.08 -2.04 119.26 118.76 1u11 h ALA 95 Ca 0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1u11 h ALA 95 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1u11 h ALA 95 CO -0.00 0.15 -0.31 0.00 0.00 0.00 0.00 179.25 179.09 1u11 h ALA 96 N 1.88 1.37 0.00 0.00 0.00 -0.87 -3.22 119.26 118.42 1u11 h ALA 96 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1u11 h ALA 96 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1u11 h ALA 96 CO 0.02 0.39 -1.16 0.91 0.00 0.00 0.00 179.25 179.41 1u11 n TRP 97 N -4.00 0.00 -4.33 0.00 8.01 -0.81 -4.99 117.44 111.32 1u11 n TRP 97 Ca -0.02 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 55.95 1u11 n TRP 97 Cb 0.37 -0.09 -0.12 0.00 -2.01 0.00 0.00 31.31 29.46 1u11 n TRP 97 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 1u11 s THR 98 N -3.04 1.83 -1.21 -0.99 -1.32 -0.94 -4.00 115.64 105.98 1u11 s THR 98 Ca 0.05 -1.84 0.24 0.00 -1.21 0.00 0.00 61.69 58.93 1u11 s THR 98 Cb 0.15 -1.80 0.00 0.00 -1.51 0.00 0.00 72.50 69.35 1u11 s THR 98 CO 0.85 -0.25 1.31 0.54 -2.21 0.00 0.00 174.62 174.86 1u11 n ARG 99 N 0.47 0.23 -1.78 7.08 3.00 -1.26 -4.78 116.66 119.62 1u11 n ARG 99 Ca -0.15 -0.15 -0.32 0.00 -0.01 0.00 0.00 57.85 57.22 1u11 n ARG 99 Cb 0.56 -1.50 0.04 0.00 0.00 0.00 0.00 32.46 31.56 1u11 n ARG 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1u11 s LEU 100 N -2.87 3.34 0.15 0.55 1.43 -1.26 -4.97 118.68 115.04 1u11 s LEU 100 Ca 0.13 1.84 -0.31 0.00 -1.03 0.00 0.00 54.13 54.76 1u11 s LEU 100 Cb 0.18 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.78 1u11 s LEU 100 CO 0.69 -1.46 1.40 -2.84 0.23 0.00 0.00 176.35 174.38 1u11 s PRO 101 N -4.35 4.31 -0.14 1.29 0.02 -1.26 -4.92 135.00 129.95 1u11 s PRO 101 Ca 0.63 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.78 1u11 s PRO 101 Cb -0.17 -3.21 -0.01 0.00 0.02 0.00 0.00 34.50 31.13 1u11 s PRO 101 CO 0.44 -0.43 -0.14 0.08 -0.33 0.00 0.00 177.00 176.62 1u11 s VAL 102 N 0.83 2.88 -0.13 3.83 1.01 -1.26 -2.07 120.40 125.49 1u11 s VAL 102 Ca 0.63 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1u11 s VAL 102 Cb -0.38 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1u11 s VAL 102 CO 0.33 0.52 -0.06 -0.76 0.00 0.00 0.00 175.10 175.13 1u11 s LEU 103 N 0.56 3.13 -0.09 3.92 1.43 0.34 -1.30 118.68 126.67 1u11 s LEU 103 Ca -0.09 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1u11 s LEU 103 Cb -0.16 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1u11 s LEU 103 CO 0.04 0.20 -0.08 -0.83 0.23 0.00 0.00 176.35 175.91 1u11 s GLY 104 N 0.15 1.66 -0.26 -3.19 0.00 0.36 -0.59 107.32 105.44 1u11 s GLY 104 Ca -0.03 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.79 1u11 s GLY 104 CO 0.03 -0.53 -0.06 0.14 0.00 0.00 0.00 173.10 172.68 1u11 s VAL 105 N -0.48 2.80 -0.25 1.40 1.01 0.08 -1.39 120.40 123.57 1u11 s VAL 105 Ca 0.07 -1.15 -0.29 0.00 0.00 0.00 0.00 61.98 60.61 1u11 s VAL 105 Cb -0.12 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 1u11 s VAL 105 CO 0.02 0.13 1.23 -2.84 0.00 0.00 0.00 175.10 173.64 1u11 s PRO 106 N 1.29 4.08 0.14 2.72 0.02 -1.26 -2.45 135.00 139.54 1u11 s PRO 106 Ca -0.02 1.38 -0.28 0.00 0.02 0.00 0.00 61.00 62.11 1u11 s PRO 106 Cb -0.17 -3.80 -0.07 0.00 0.02 0.00 0.00 34.50 30.48 1u11 s PRO 106 CO -0.04 -0.90 0.86 0.08 -0.33 0.00 0.00 177.00 176.67 1u11 s VAL 107 N 3.86 4.42 0.15 3.83 1.01 -0.16 -0.79 120.40 132.72 1u11 s VAL 107 Ca 0.53 1.87 -0.31 0.00 0.00 0.00 0.00 61.98 64.07 1u11 s VAL 107 Cb -0.18 -4.23 -0.10 0.00 0.00 0.00 0.00 36.38 31.88 1u11 s VAL 107 CO 0.17 0.42 1.67 -0.70 0.00 0.00 0.00 175.10 176.67 1u11 s GLU 108 N -0.58 4.17 0.26 2.72 2.12 -1.26 -4.44 118.70 121.70 1u11 s GLU 108 Ca 0.41 2.46 -0.01 0.00 0.36 0.00 0.00 54.97 58.19 1u11 s GLU 108 Cb -0.23 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 1u11 s GLU 108 CO 0.28 -0.71 0.46 -1.54 -0.54 0.00 0.00 175.26 173.21 1u11 s SER 109 N 1.69 6.36 0.08 -1.70 1.04 -1.26 -4.74 113.70 115.18 1u11 s SER 109 Ca 0.74 0.44 -0.33 0.00 0.48 0.00 0.00 55.95 57.29 1u11 s SER 109 Cb -0.45 -2.03 -0.17 0.00 0.10 0.00 0.00 66.02 63.48 1u11 s SER 109 CO 0.33 -0.15 1.61 -0.09 0.98 0.00 0.00 173.24 175.92 1u11 h ARG 110 N 1.51 -0.86 0.02 4.02 2.43 -1.96 -2.31 114.38 117.22 1u11 h ARG 110 Ca -0.49 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1u11 h ARG 110 Cb 1.20 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 1u11 h ARG 110 CO 0.65 -0.57 -0.01 0.00 -1.51 0.00 0.00 179.97 178.53 1u11 h ALA 111 N -0.55 -0.02 -0.35 2.80 0.00 -2.04 -3.38 119.26 115.73 1u11 h ALA 111 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1u11 h ALA 111 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1u11 h ALA 111 CO 0.06 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1u11 n LEU 112 N -4.74 2.11 -3.15 0.00 4.77 -1.26 -4.93 117.00 109.81 1u11 n LEU 112 Ca -0.04 -1.06 -0.20 0.00 -0.03 0.00 0.00 56.01 54.68 1u11 n LEU 112 Cb 0.19 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1u11 n LEU 112 CO 0.14 0.48 -0.06 0.29 -1.33 0.00 0.00 177.39 176.90 1u11 n LYS 113 N 0.53 -3.17 -0.56 3.23 4.76 -0.87 -1.35 118.16 120.73 1u11 n LYS 113 Ca 0.12 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1u11 n LYS 113 Cb 0.36 -5.17 0.00 0.00 -1.84 0.00 0.00 35.03 28.38 1u11 n LYS 113 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u11 n GLY 114 N -1.08 0.86 0.24 0.72 0.00 -1.25 -4.47 105.19 100.21 1u11 n GLY 114 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 1u11 n GLY 114 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1u11 h MET 115 N 3.74 0.62 -0.40 1.61 -1.53 -1.58 0.16 114.93 117.55 1u11 h MET 115 Ca 0.00 -0.27 -0.11 0.00 -3.44 0.00 0.00 59.70 55.87 1u11 h MET 115 Cb 0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.02 1u11 h MET 115 CO 0.00 0.86 -0.19 0.38 0.14 0.00 0.00 176.91 178.09 1u11 h ASP 116 N 0.53 0.87 -0.36 1.39 3.04 -1.85 -2.10 116.42 117.93 1u11 h ASP 116 Ca 0.06 -0.40 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 1u11 h ASP 116 Cb 0.80 -0.24 -0.02 0.00 -1.04 0.00 0.00 39.33 38.84 1u11 h ASP 116 CO 0.07 1.08 0.24 0.28 -2.04 0.00 0.00 179.24 178.86 1u11 h SER 117 N 0.65 0.42 0.23 4.15 0.02 -1.23 -1.80 113.55 115.99 1u11 h SER 117 Ca 0.09 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1u11 h SER 117 Cb 0.75 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1u11 h SER 117 CO 0.06 0.31 -0.11 0.25 -1.14 0.00 0.00 176.83 176.19 1u11 h LEU 118 N 0.49 -0.26 -1.05 5.07 5.85 -0.60 -2.49 115.31 122.31 1u11 h LEU 118 Ca 0.13 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1u11 h LEU 118 Cb -0.05 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1u11 h LEU 118 CO -0.03 -0.15 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.83 1u11 h LEU 119 N -0.35 0.62 -1.75 2.25 3.38 -1.34 0.34 115.31 118.45 1u11 h LEU 119 Ca -0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1u11 h LEU 119 Cb 0.27 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1u11 h LEU 119 CO 0.05 0.70 -0.11 0.28 0.09 0.00 0.00 178.44 179.45 1u11 h SER 120 N 0.61 0.00 0.00 -0.43 0.02 -1.24 -2.96 113.55 109.55 1u11 h SER 120 Ca 0.12 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.62 1u11 h SER 120 Cb 0.42 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.89 1u11 h SER 120 CO 0.02 0.11 -2.51 -0.38 -1.14 0.00 0.00 176.83 172.93 1u11 n ILE 121 N -3.43 1.52 0.11 3.27 5.41 -0.92 -4.70 119.36 120.62 1u11 n ILE 121 Ca -0.01 -0.41 -0.04 0.00 1.00 0.00 0.00 62.75 63.29 1u11 n ILE 121 Cb 0.28 -1.81 0.09 0.00 -0.71 0.00 0.00 39.64 37.50 1u11 n ILE 121 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 1u11 h VAL 122 N -0.83 1.48 0.00 1.39 3.04 -1.03 -3.35 116.25 116.94 1u11 h VAL 122 Ca -0.68 -2.36 0.00 0.00 -1.01 0.00 0.00 66.70 62.65 1u11 h VAL 122 Cb 1.66 2.27 0.00 0.00 -2.01 0.00 0.00 31.29 33.21 1u11 h VAL 122 CO -0.37 0.68 0.00 0.00 -1.01 0.00 0.00 177.57 176.87 1u11 n GLN 123 N -3.73 0.89 -2.13 4.17 1.13 -1.12 -4.92 117.38 111.69 1u11 n GLN 123 Ca -0.02 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.63 1u11 n GLN 123 Cb 0.69 -1.05 -0.03 0.00 0.11 0.00 0.00 30.24 29.96 1u11 n GLN 123 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1u11 s MET 124 N 0.18 4.33 0.61 -1.09 -1.94 -1.26 -4.99 119.30 115.14 1u11 s MET 124 Ca 0.00 2.16 -0.17 0.00 -1.71 0.00 0.00 55.69 55.97 1u11 s MET 124 Cb 0.00 -3.17 -0.03 0.00 2.01 0.00 0.00 34.83 33.64 1u11 s MET 124 CO 0.00 -0.36 1.12 -2.14 -0.01 0.00 0.00 175.02 173.63 1u11 s PRO 125 N 0.06 3.05 0.13 2.03 0.02 -1.26 -4.92 135.00 134.10 1u11 s PRO 125 Ca 0.60 1.48 -0.35 0.00 0.02 0.00 0.00 61.00 62.75 1u11 s PRO 125 Cb -0.39 -1.98 -0.16 0.00 0.02 0.00 0.00 34.50 32.00 1u11 s PRO 125 CO 0.38 -1.07 1.35 0.41 -0.33 0.00 0.00 177.00 177.75 1u11 n GLY 126 N -0.24 0.53 0.00 0.52 0.00 -1.26 -3.22 105.19 101.52 1u11 n GLY 126 Ca 0.11 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1u11 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u11 n GLY 127 N 2.57 0.64 2.58 -0.02 0.00 -1.26 -5.03 105.19 104.66 1u11 n GLY 127 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1u11 n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u11 s VAL 128 N -0.83 0.38 0.44 1.61 1.01 -1.20 -5.11 120.40 116.69 1u11 s VAL 128 Ca 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 61.98 60.48 1u11 s VAL 128 Cb 0.00 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.02 1u11 s VAL 128 CO 0.00 -0.81 0.82 -2.16 0.00 0.00 0.00 175.10 172.95 1u11 s PRO 129 N 1.49 3.79 -0.14 2.72 0.04 -1.26 -4.64 135.00 137.00 1u11 s PRO 129 Ca 0.13 0.56 -0.04 0.00 0.04 0.00 0.00 61.00 61.69 1u11 s PRO 129 Cb -0.19 -2.33 0.07 0.00 0.04 0.00 0.00 34.50 32.09 1u11 s PRO 129 CO -0.19 -0.11 0.19 0.08 0.04 0.00 0.00 177.00 177.01 1u11 s VAL 130 N -2.48 -0.29 -0.40 -0.36 1.01 -1.26 -4.63 120.40 111.99 1u11 s VAL 130 Ca 0.53 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 1u11 s VAL 130 Cb -0.10 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.80 1u11 s VAL 130 CO 0.33 -0.03 1.32 -0.83 0.00 0.00 0.00 175.10 175.89 1u11 s GLY 131 N 2.31 1.21 -0.07 4.51 0.00 -0.42 -4.81 107.32 110.06 1u11 s GLY 131 Ca 0.04 -0.17 -0.12 0.00 0.00 0.00 0.00 44.72 44.47 1u11 s GLY 131 CO -0.09 2.64 0.30 -1.59 0.00 0.00 0.00 173.10 174.36 1u11 s THR 132 N 4.94 5.24 0.53 0.90 2.01 -1.26 -0.49 115.64 127.50 1u11 s THR 132 Ca 0.57 0.58 0.06 0.00 0.31 0.00 0.00 61.69 63.21 1u11 s THR 132 Cb -0.13 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 68.82 1u11 s THR 132 CO 0.30 0.56 0.39 -0.76 -0.69 0.00 0.00 174.62 174.42 1u11 s LEU 133 N -0.77 2.77 0.85 4.42 2.01 -0.49 -4.94 118.68 122.54 1u11 s LEU 133 Ca 0.20 -1.20 -0.11 0.00 0.01 0.00 0.00 54.13 53.02 1u11 s LEU 133 Cb -0.14 -1.26 0.11 0.00 0.01 0.00 0.00 46.19 44.90 1u11 s LEU 133 CO 0.09 -1.04 1.16 0.00 1.01 0.00 0.00 176.35 177.56 1u11 s ALA 134 N -2.74 1.72 0.21 4.21 0.00 -1.26 -4.39 121.76 119.51 1u11 s ALA 134 Ca 0.35 0.63 -0.31 0.00 0.00 0.00 0.00 51.96 52.63 1u11 s ALA 134 Cb -0.02 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 1u11 s ALA 134 CO 0.22 -2.43 1.47 0.42 0.00 0.00 0.00 175.76 175.43 1u11 s ILE 135 N -2.52 2.71 0.00 0.00 1.01 -1.26 -3.09 121.20 118.05 1u11 s ILE 135 Ca 0.68 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.89 1u11 s ILE 135 Cb -0.24 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1u11 s ILE 135 CO 0.55 0.07 0.00 0.61 0.00 0.00 0.00 174.94 176.17 1u11 n GLY 136 N 2.72 -1.60 0.31 6.18 0.00 0.03 -4.31 105.19 108.53 1u11 n GLY 136 Ca 0.09 -1.49 0.09 0.00 0.00 0.00 0.00 46.02 44.72 1u11 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u11 h ALA 137 N 0.00 1.35 -0.92 4.61 0.00 -1.88 -0.13 119.26 122.28 1u11 h ALA 137 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1u11 h ALA 137 Cb 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1u11 h ALA 137 CO 0.00 -0.18 0.59 0.77 0.00 0.00 0.00 179.25 180.44 1u11 h SER 138 N 0.55 0.99 -0.49 0.00 0.02 -1.87 -0.92 113.55 111.83 1u11 h SER 138 Ca 0.50 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.34 1u11 h SER 138 Cb 0.80 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 1u11 h SER 138 CO -0.42 0.68 -0.08 1.23 -1.14 0.00 0.00 176.83 177.10 1u11 h GLY 139 N 1.15 1.03 0.88 -3.77 0.00 -0.98 -0.59 103.07 100.79 1u11 h GLY 139 Ca 0.37 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1u11 h GLY 139 CO -0.12 0.72 0.04 0.00 0.00 0.00 0.00 176.54 177.19 1u11 h ALA 140 N 1.04 0.37 -0.50 3.60 0.00 -0.81 0.66 119.26 123.63 1u11 h ALA 140 Ca 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1u11 h ALA 140 Cb 0.61 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1u11 h ALA 140 CO 0.04 0.06 0.28 -0.22 0.00 0.00 0.00 179.25 179.42 1u11 h LYS 141 N 0.28 0.68 0.00 0.00 3.64 -1.09 -2.57 116.57 117.52 1u11 h LYS 141 Ca 0.08 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 1u11 h LYS 141 Cb 0.34 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1u11 h LYS 141 CO 0.01 0.52 -0.43 -0.91 -2.27 0.00 0.00 179.45 176.36 1u11 h ASN 142 N 0.66 0.00 -0.56 4.20 2.35 -0.92 -1.70 115.58 119.60 1u11 h ASN 142 Ca 0.18 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1u11 h ASN 142 Cb 0.02 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1u11 h ASN 142 CO -0.03 0.43 0.03 0.00 -1.65 0.00 0.00 177.43 176.21 1u11 h ALA 143 N 1.57 0.94 -0.32 -0.83 0.00 -0.56 0.18 119.26 120.24 1u11 h ALA 143 Ca -0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1u11 h ALA 143 Cb 0.79 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1u11 h ALA 143 CO 0.06 0.64 -0.06 0.00 0.00 0.00 0.00 179.25 179.89 1u11 h ALA 144 N 1.09 0.44 -0.59 0.00 0.00 -1.11 -0.86 119.26 118.24 1u11 h ALA 144 Ca 0.17 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1u11 h ALA 144 Cb 0.50 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1u11 h ALA 144 CO 0.02 0.26 0.09 -0.07 0.00 0.00 0.00 179.25 179.56 1u11 h LEU 145 N 0.40 0.90 -0.44 0.00 3.38 -1.07 -0.39 115.31 118.09 1u11 h LEU 145 Ca 0.08 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1u11 h LEU 145 Cb 0.55 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1u11 h LEU 145 CO 0.03 0.91 -0.02 0.25 0.09 0.00 0.00 178.44 179.70 1u11 h LEU 146 N 0.89 0.78 -0.93 1.67 5.85 -0.52 -0.47 115.31 122.59 1u11 h LEU 146 Ca 0.18 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1u11 h LEU 146 Cb 0.40 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1u11 h LEU 146 CO 0.01 0.91 0.59 0.00 -0.34 0.00 0.00 178.44 179.61 1u11 h ALA 147 N 0.90 1.18 -0.67 1.25 0.00 -0.85 -1.49 119.26 119.57 1u11 h ALA 147 Ca 0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1u11 h ALA 147 Cb 0.52 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1u11 h ALA 147 CO 0.03 0.60 0.28 0.00 0.00 0.00 0.00 179.25 180.16 1u11 h ALA 148 N 1.32 0.86 0.00 0.00 0.00 -0.65 -1.11 119.26 119.69 1u11 h ALA 148 Ca 0.34 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1u11 h ALA 148 Cb -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1u11 h ALA 148 CO -0.07 0.47 -0.25 0.66 0.00 0.00 0.00 179.25 180.07 1u11 h SER 149 N 0.94 0.00 0.02 0.00 4.64 -0.45 0.71 113.55 119.41 1u11 h SER 149 Ca 0.22 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1u11 h SER 149 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1u11 h SER 149 CO -0.02 0.25 -0.01 0.40 -0.87 0.00 0.00 176.83 176.58 1u11 h ILE 150 N 0.00 1.43 -0.28 0.95 2.04 -0.73 -3.24 117.51 117.68 1u11 h ILE 150 Ca -0.00 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 1u11 h ILE 150 Cb 0.48 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1u11 h ILE 150 CO 0.03 0.37 0.07 -0.07 0.00 0.00 0.00 178.15 178.55 1u11 h LEU 151 N -0.66 0.35 -2.65 1.44 3.38 -0.93 -2.38 115.31 113.86 1u11 h LEU 151 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1u11 h LEU 151 Cb 0.62 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1u11 h LEU 151 CO 0.00 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.89 1u11 h ALA 152 N 1.70 1.00 0.00 1.53 0.00 -0.89 -2.30 119.26 120.30 1u11 h ALA 152 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1u11 h ALA 152 Cb 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1u11 h ALA 152 CO -0.00 0.00 -0.09 -0.07 0.00 0.00 0.00 179.25 179.08 1u11 h LEU 153 N 0.00 0.00 -2.30 0.00 3.38 -1.49 -3.15 115.31 111.75 1u11 h LEU 153 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u11 h LEU 153 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1u11 h LEU 153 CO 0.00 0.09 -0.17 0.00 0.09 0.00 0.00 178.44 178.45 1u11 n TYR 154 N -3.49 0.00 -3.54 1.13 4.11 -0.90 -4.94 117.16 109.54 1u11 n TYR 154 Ca -0.02 -0.40 -0.29 0.00 -0.00 0.00 0.00 57.90 57.20 1u11 n TYR 154 Cb 0.23 -0.07 -0.13 0.00 -0.00 0.00 0.00 39.34 39.37 1u11 n TYR 154 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1u11 s ASN 155 N -1.41 3.30 0.24 9.48 3.84 -1.04 -5.03 114.94 124.32 1u11 s ASN 155 Ca 0.10 -2.01 -0.05 0.00 0.21 0.00 0.00 52.86 51.12 1u11 s ASN 155 Cb 0.09 -0.53 0.41 0.00 -0.55 0.00 0.00 41.25 40.67 1u11 s ASN 155 CO 0.01 -0.34 1.76 -0.65 -2.79 0.00 0.00 177.10 175.09 1u11 h PRO 156 N 7.38 0.56 -0.27 0.43 0.11 -1.90 -0.16 132.00 138.14 1u11 h PRO 156 Ca -0.03 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1u11 h PRO 156 Cb 0.98 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1u11 h PRO 156 CO 0.35 0.37 0.16 0.00 -0.21 0.00 0.00 178.00 178.67 1u11 h ALA 157 N 1.49 0.34 -0.66 -0.75 0.00 -1.95 -1.46 119.26 116.26 1u11 h ALA 157 Ca 0.39 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1u11 h ALA 157 Cb 0.49 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1u11 h ALA 157 CO -0.32 -0.14 0.08 1.25 0.00 0.00 0.00 179.25 180.12 1u11 h LEU 158 N 0.33 1.07 -0.99 0.00 5.85 -1.85 -2.23 115.31 117.50 1u11 h LEU 158 Ca 0.10 -0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.64 1u11 h LEU 158 Cb 0.03 -0.29 -0.08 0.00 0.37 0.00 0.00 40.66 40.70 1u11 h LEU 158 CO -0.02 1.07 0.63 0.00 -0.34 0.00 0.00 178.44 179.78 1u11 h ALA 159 N 1.04 1.43 -0.45 1.25 0.00 -0.66 0.17 119.26 122.03 1u11 h ALA 159 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1u11 h ALA 159 Cb 0.47 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1u11 h ALA 159 CO 0.02 0.32 -0.09 0.00 0.00 0.00 0.00 179.25 179.50 1u11 h ALA 160 N 1.49 0.62 -0.30 0.00 0.00 -0.87 -1.06 119.26 119.14 1u11 h ALA 160 Ca 0.46 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1u11 h ALA 160 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1u11 h ALA 160 CO -0.22 0.50 -0.19 0.00 0.00 0.00 0.00 179.25 179.34 1u11 h ARG 161 N 0.70 0.56 -0.48 0.00 3.08 -0.70 -1.51 114.38 116.03 1u11 h ARG 161 Ca 0.12 -0.19 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 1u11 h ARG 161 Cb 0.63 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1u11 h ARG 161 CO 0.04 0.72 -0.22 1.25 -1.07 0.00 0.00 179.97 180.69 1u11 h LEU 162 N 0.50 1.03 -0.66 3.04 5.85 -0.50 -0.49 115.31 124.07 1u11 h LEU 162 Ca 0.08 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1u11 h LEU 162 Cb 0.61 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1u11 h LEU 162 CO 0.04 1.20 0.40 -0.08 -0.34 0.00 0.00 178.44 179.66 1u11 h GLU 163 N 0.86 0.90 -0.55 1.25 4.57 -0.89 -0.26 114.58 120.47 1u11 h GLU 163 Ca 0.11 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1u11 h GLU 163 Cb 0.80 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 1u11 h GLU 163 CO 0.07 0.65 0.20 1.15 -1.18 0.00 0.00 179.01 179.90 1u11 h THR 164 N 0.90 1.22 -0.12 0.32 2.02 -1.04 -0.33 112.91 115.90 1u11 h THR 164 Ca 0.24 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1u11 h THR 164 Cb -0.02 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1u11 h THR 164 CO -0.04 0.27 0.07 -0.25 0.37 0.00 0.00 175.52 175.94 1u11 h TRP 165 N 0.75 0.14 -0.57 3.16 7.01 -0.53 0.39 115.95 126.29 1u11 h TRP 165 Ca 0.18 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.12 1u11 h TRP 165 Cb 0.22 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.21 1u11 h TRP 165 CO 0.01 0.09 0.11 0.00 -2.79 0.00 0.00 178.44 175.86 1u11 h ARG 166 N 0.15 0.91 -0.53 2.65 2.47 -0.93 -1.37 114.38 117.73 1u11 h ARG 166 Ca 0.04 -0.21 -0.09 0.00 -1.26 0.00 0.00 59.98 58.47 1u11 h ARG 166 Cb -0.01 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.16 1u11 h ARG 166 CO -0.02 0.83 -0.03 0.00 0.56 0.00 0.00 179.97 181.31 1u11 h ALA 167 N 1.26 0.72 -0.52 0.04 0.00 -0.70 -1.87 119.26 118.19 1u11 h ALA 167 Ca 0.18 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1u11 h ALA 167 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1u11 h ALA 167 CO 0.00 0.57 -0.09 1.25 0.00 0.00 0.00 179.25 180.98 1u11 h LEU 168 N 0.83 0.94 -0.27 0.00 5.85 -0.69 -0.44 115.31 121.53 1u11 h LEU 168 Ca 0.15 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1u11 h LEU 168 Cb 0.57 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1u11 h LEU 168 CO 0.03 1.05 0.17 -0.61 -0.34 0.00 0.00 178.44 178.74 1u11 h GLN 169 N 0.85 0.36 -0.16 1.25 4.15 -1.03 -0.30 115.11 120.23 1u11 h GLN 169 Ca 0.14 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 1u11 h GLN 169 Cb 0.62 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 1u11 h GLN 169 CO 0.04 0.26 0.04 1.15 -1.93 0.00 0.00 178.83 178.39 1u11 h THR 170 N 0.36 1.21 0.00 2.39 2.02 -1.18 -3.13 112.91 114.58 1u11 h THR 170 Ca 0.10 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.56 1u11 h THR 170 Cb -0.02 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1u11 h THR 170 CO -0.02 0.20 -0.29 0.00 0.37 0.00 0.00 175.52 175.78 1u11 h ALA 171 N 0.84 1.27 0.00 6.16 0.00 -0.98 -3.13 119.26 123.43 1u11 h ALA 171 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1u11 h ALA 171 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1u11 h ALA 171 CO 0.00 0.36 0.00 0.43 0.00 0.00 0.00 179.25 180.04 1u11 n SER 172 N -3.83 0.48 -4.68 0.00 7.64 -0.13 -4.82 113.62 108.28 1u11 n SER 172 Ca -0.01 0.55 -0.42 0.00 1.01 0.00 0.00 58.87 60.00 1u11 n SER 172 Cb 0.38 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 1u11 n SER 172 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1u11 s VAL 173 N -3.08 3.33 0.87 0.44 1.01 -1.18 -4.97 120.40 116.82 1u11 s VAL 173 Ca 0.11 0.64 -0.10 0.00 0.00 0.00 0.00 61.98 62.63 1u11 s VAL 173 Cb 0.14 -3.41 0.12 0.00 0.00 0.00 0.00 36.38 33.23 1u11 s VAL 173 CO 0.54 -0.02 1.13 -2.84 0.00 0.00 0.00 175.10 173.91 1u11 s PRO 174 N 3.15 1.36 0.16 2.72 0.02 -1.26 -4.96 135.00 136.19 1u11 s PRO 174 Ca 0.73 1.46 0.21 0.00 0.02 0.00 0.00 61.00 63.41 1u11 s PRO 174 Cb -0.36 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 1u11 s PRO 174 CO 0.31 -2.36 0.98 -0.91 -0.33 0.00 0.00 177.00 174.68 1u11 h ASN 175 N -1.65 0.00 -5.02 2.53 2.35 -1.98 -3.47 115.58 108.34 1u11 h ASN 175 Ca -0.43 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.19 1u11 h ASN 175 Cb 1.26 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 39.44 1u11 h ASN 175 CO 0.44 0.19 -0.41 -0.94 -1.65 0.00 0.00 177.43 175.07 1u11 s SER 176 N -5.51 -0.01 0.59 5.81 1.04 -1.26 -5.16 113.70 109.20 1u11 s SER 176 Ca -0.01 -0.22 -0.16 0.00 0.48 0.00 0.00 55.95 56.03 1u11 s SER 176 Cb 0.09 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1u11 s SER 176 CO 0.80 -0.47 1.07 -2.16 0.98 0.00 0.00 173.24 173.46 1u11 s PRO 177 N -1.88 3.29 0.00 4.02 0.04 -1.26 -5.24 135.00 133.97 1u11 s PRO 177 Ca -0.10 1.27 0.26 0.00 0.04 0.00 0.00 61.00 62.46 1u11 s PRO 177 Cb -0.04 -2.02 0.55 0.00 0.04 0.00 0.00 34.50 33.02 1u11 s PRO 177 CO -0.00 -0.84 1.46 -0.89 0.04 0.00 0.00 177.00 176.77