#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b94 s LEU -9 N 0.00 5.74 -0.25 3.41 2.96 -1.26 -5.01 118.68 124.27 2b94 s LEU -9 Ca 0.00 -1.60 -0.03 0.00 -0.22 0.00 0.00 54.13 52.28 2b94 s LEU -9 Cb 0.00 -2.26 0.02 0.00 0.50 0.00 0.00 46.19 44.44 2b94 s LEU -9 CO 0.00 -1.00 -0.04 -0.72 -1.32 0.00 0.00 176.35 173.27 2b94 s TYR -8 N 2.21 3.05 -0.04 5.38 -0.85 -1.26 -5.10 117.35 120.73 2b94 s TYR -8 Ca 0.08 -1.33 -0.11 0.00 -0.52 0.00 0.00 57.07 55.19 2b94 s TYR -8 Cb -0.27 -2.10 -0.05 0.00 0.38 0.00 0.00 41.96 39.92 2b94 s TYR -8 CO 0.05 -0.67 0.30 -0.06 -1.52 0.00 0.00 175.55 173.65 2b94 s PHE -7 N 1.39 3.67 0.36 -3.49 0.08 -1.26 -5.05 117.98 113.68 2b94 s PHE -7 Ca 0.02 0.80 -0.28 0.00 0.12 0.00 0.00 56.93 57.60 2b94 s PHE -7 Cb -0.16 -2.15 -0.12 0.00 -0.57 0.00 0.00 43.02 40.02 2b94 s PHE -7 CO -0.03 0.68 1.31 0.94 -0.10 0.00 0.00 175.22 178.02 2b94 n GLN -6 N 1.84 2.17 -0.90 0.44 0.00 -1.26 -1.34 117.38 118.33 2b94 n GLN -6 Ca -0.16 0.76 0.00 0.00 -0.00 0.00 0.00 57.00 57.60 2b94 n GLN -6 Cb 0.53 -2.38 0.00 0.00 0.00 0.00 0.00 30.24 28.39 2b94 n GLN -6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2b94 n GLY -5 N 0.73 0.49 0.61 1.69 0.00 -1.26 -4.83 105.19 102.62 2b94 n GLY -5 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 2b94 n GLY -5 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2b94 n HIS -4 N -2.29 0.00 0.01 1.61 8.25 -0.45 -4.79 115.22 117.56 2b94 n HIS -4 Ca 0.00 -0.85 0.06 0.00 -0.26 0.00 0.00 57.72 56.67 2b94 n HIS -4 Cb 0.09 -0.16 -0.12 0.00 1.12 0.00 0.00 29.99 30.92 2b94 n HIS -4 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2b94 n MET -3 N -0.66 0.65 -4.26 -0.41 2.81 -1.25 -4.73 117.12 109.27 2b94 n MET -3 Ca 0.12 -0.03 -0.31 0.00 -1.81 0.00 0.00 57.70 55.67 2b94 n MET -3 Cb 0.77 -1.63 -0.09 0.00 -0.71 0.00 0.00 33.22 31.56 2b94 n MET -3 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2b94 s GLU -2 N -3.23 2.49 0.70 0.03 2.02 -1.26 -5.12 118.70 114.32 2b94 s GLU -2 Ca -0.06 -0.82 -0.11 0.00 0.02 0.00 0.00 54.97 54.00 2b94 s GLU -2 Cb 0.11 -2.49 0.01 0.00 0.10 0.00 0.00 34.13 31.86 2b94 s GLU -2 CO 0.86 0.56 1.07 -1.21 0.02 0.00 0.00 175.26 176.55 2b94 s GLU -1 N -1.96 2.84 0.07 1.61 2.02 -1.26 -4.98 118.70 117.05 2b94 s GLU -1 Ca 0.22 1.04 -0.31 0.00 0.02 0.00 0.00 54.97 55.94 2b94 s GLU -1 Cb -0.11 -1.97 -0.08 0.00 0.10 0.00 0.00 34.13 32.06 2b94 s GLU -1 CO 0.13 -1.18 1.59 -1.83 0.02 0.00 0.00 175.26 174.00 2b94 s GLU 0 N -4.87 4.22 -0.04 1.61 4.04 -1.26 -4.97 118.70 117.42 2b94 s GLU 0 Ca 0.60 2.26 -0.16 0.00 0.04 0.00 0.00 54.97 57.71 2b94 s GLU 0 Cb -0.15 -3.54 -0.05 0.00 0.02 0.00 0.00 34.13 30.41 2b94 s GLU 0 CO 0.53 -0.68 0.43 1.41 -1.84 0.00 0.00 175.26 175.11 2b94 s MET 1 N 2.39 4.10 0.28 -4.83 1.75 -1.26 -4.35 119.30 117.37 2b94 s MET 1 Ca 0.71 0.43 -0.29 0.00 -1.25 0.00 0.00 55.69 55.29 2b94 s MET 1 Cb -0.39 -3.30 -0.10 0.00 2.84 0.00 0.00 34.83 33.89 2b94 s MET 1 CO 0.31 0.49 1.10 -0.65 -0.65 0.00 0.00 175.02 175.62 2b94 s GLN 2 N -0.45 4.63 0.19 4.11 -1.52 -0.34 -4.90 119.66 121.39 2b94 s GLN 2 Ca 0.24 1.81 -0.11 0.00 -1.95 0.00 0.00 55.36 55.35 2b94 s GLN 2 Cb -0.16 -3.18 0.20 0.00 -0.22 0.00 0.00 33.01 29.64 2b94 s GLN 2 CO 0.12 0.21 1.78 -0.09 -0.25 0.00 0.00 175.29 177.06 2b94 h ARG 3 N 3.80 0.51 0.01 2.91 1.12 -1.97 -1.32 114.38 119.44 2b94 h ARG 3 Ca -0.47 -0.03 -0.39 0.00 -1.11 0.00 0.00 59.98 57.98 2b94 h ARG 3 Cb 1.21 -0.12 -0.06 0.00 -0.01 0.00 0.00 29.97 31.00 2b94 h ARG 3 CO 0.67 0.34 -2.20 0.72 -3.11 0.00 0.00 179.97 176.39 2b94 n HIS 4 N -4.89 0.34 0.48 2.20 8.25 -1.26 -4.32 115.22 116.03 2b94 n HIS 4 Ca 0.06 0.12 0.13 0.00 -0.26 0.00 0.00 57.72 57.78 2b94 n HIS 4 Cb 0.18 -1.04 0.37 0.00 1.12 0.00 0.00 29.99 30.62 2b94 n HIS 4 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 2b94 h ILE 5 N -0.73 0.00 -5.68 1.59 3.07 -1.94 -3.42 117.51 110.41 2b94 h ILE 5 Ca -0.58 -0.59 -0.35 0.00 1.55 0.00 0.00 64.86 64.89 2b94 h ILE 5 Cb 1.63 1.56 0.15 0.00 -0.27 0.00 0.00 36.82 39.90 2b94 h ILE 5 CO -0.28 0.00 -0.72 0.29 -1.05 0.00 0.00 178.15 176.39 2b94 n LYS 6 N -2.51 -7.11 -4.25 0.16 4.01 -0.50 -4.95 118.16 103.00 2b94 n LYS 6 Ca 0.05 0.83 -0.22 0.00 -0.51 0.00 0.00 58.31 58.46 2b94 n LYS 6 Cb 0.43 -5.83 -0.12 0.00 -0.51 0.00 0.00 35.03 29.00 2b94 n LYS 6 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2b94 s LEU 7 N -6.69 2.29 0.35 -0.35 1.43 -1.25 -4.87 118.68 109.58 2b94 s LEU 7 Ca 0.25 -0.65 0.06 0.00 -1.03 0.00 0.00 54.13 52.76 2b94 s LEU 7 Cb -0.11 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 2b94 s LEU 7 CO 0.72 0.01 0.49 0.42 0.23 0.00 0.00 176.35 178.23 2b94 s THR 8 N -1.19 4.02 0.28 5.49 -4.23 -1.26 -1.20 115.64 117.55 2b94 s THR 8 Ca 0.03 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 2b94 s THR 8 Cb -0.10 -3.40 0.28 0.00 1.34 0.00 0.00 72.50 70.63 2b94 s THR 8 CO 0.03 -0.17 1.85 -0.65 -0.54 0.00 0.00 174.62 175.15 2b94 h PRO 9 N 0.83 0.99 -0.02 3.99 0.11 -1.81 -1.97 132.00 134.12 2b94 h PRO 9 Ca -0.46 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 2b94 h PRO 9 Cb 1.26 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2b94 h PRO 9 CO 0.53 0.65 -0.14 0.66 -0.21 0.00 0.00 178.00 179.49 2b94 h SER 10 N 1.02 0.02 1.48 -2.05 4.64 -1.95 -1.05 113.55 115.65 2b94 h SER 10 Ca 0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2b94 h SER 10 Cb 0.44 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2b94 h SER 10 CO -0.24 0.16 0.00 0.00 -0.87 0.00 0.00 176.83 175.88 2b94 n GLN 11 N -4.36 0.26 -3.51 4.77 6.02 -0.78 -4.81 117.38 114.97 2b94 n GLN 11 Ca -0.02 0.22 -0.38 0.00 -0.01 0.00 0.00 57.00 56.81 2b94 n GLN 11 Cb 0.21 -1.81 -0.09 0.00 1.02 0.00 0.00 30.24 29.58 2b94 n GLN 11 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2b94 s THR 12 N -3.10 5.26 0.47 5.09 2.01 -0.40 -4.95 115.64 120.02 2b94 s THR 12 Ca 0.11 0.44 -0.09 0.00 0.31 0.00 0.00 61.69 62.46 2b94 s THR 12 Cb 0.12 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 2b94 s THR 12 CO 0.60 0.27 0.83 0.42 -0.69 0.00 0.00 174.62 176.04 2b94 s THR 13 N 1.40 4.80 0.39 -0.82 -4.23 -1.26 -4.90 115.64 111.01 2b94 s THR 13 Ca 0.13 0.56 0.11 0.00 -1.18 0.00 0.00 61.69 61.31 2b94 s THR 13 Cb -0.15 -3.80 0.33 0.00 1.34 0.00 0.00 72.50 70.22 2b94 s THR 13 CO 0.07 -0.74 1.92 -0.65 -0.54 0.00 0.00 174.62 174.68 2b94 h PRO 14 N 0.65 0.58 -5.99 3.99 0.11 -1.87 -3.40 132.00 126.05 2b94 h PRO 14 Ca -0.47 -0.03 -0.68 0.00 0.11 0.00 0.00 66.00 64.93 2b94 h PRO 14 Cb 1.19 -0.13 -0.22 0.00 0.11 0.00 0.00 31.00 31.95 2b94 h PRO 14 CO 0.63 0.38 -0.73 0.08 -0.21 0.00 0.00 178.00 178.15 2b94 s VAL 15 N -5.57 3.41 -0.03 3.15 1.01 -1.26 0.16 120.40 121.28 2b94 s VAL 15 Ca -0.09 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2b94 s VAL 15 Cb 0.21 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 34.21 2b94 s VAL 15 CO 0.77 0.57 -0.04 -0.69 0.00 0.00 0.00 175.10 175.72 2b94 s VAL 16 N -0.49 0.41 -0.27 2.92 1.01 -0.22 -3.16 120.40 120.59 2b94 s VAL 16 Ca 0.07 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 2b94 s VAL 16 Cb -0.12 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 2b94 s VAL 16 CO 0.02 0.17 0.17 -0.22 0.00 0.00 0.00 175.10 175.24 2b94 s LEU 17 N 0.59 3.97 -0.19 3.92 2.96 -0.04 -1.13 118.68 128.76 2b94 s LEU 17 Ca -0.07 -0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 53.75 2b94 s LEU 17 Cb -0.10 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 2b94 s LEU 17 CO -0.00 -0.04 0.05 -0.69 -1.32 0.00 0.00 176.35 174.35 2b94 s VAL 18 N 1.69 4.63 0.46 1.68 1.01 0.66 -1.26 120.40 129.27 2b94 s VAL 18 Ca 0.07 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.00 2b94 s VAL 18 Cb -0.16 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2b94 s VAL 18 CO 0.10 0.44 0.01 0.68 0.00 0.00 0.00 175.10 176.33 2b94 s VAL 19 N 0.57 1.59 -0.21 2.92 -7.23 -0.16 -1.10 120.40 116.78 2b94 s VAL 19 Ca 0.03 -2.00 0.18 0.00 -1.81 0.00 0.00 61.98 58.38 2b94 s VAL 19 Cb -0.13 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.26 2b94 s VAL 19 CO 0.01 0.00 1.21 1.23 -0.31 0.00 0.00 175.10 177.24 2b94 h GLY 20 N 1.56 0.00 -2.93 2.32 0.00 -1.86 -3.39 103.07 98.77 2b94 h GLY 20 Ca -0.44 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 2b94 h GLY 20 CO 0.78 0.00 -0.01 0.51 0.00 0.00 0.00 176.54 177.81 2b94 s ASP 21 N -5.99 -0.28 0.42 0.19 1.47 -1.26 -4.61 116.67 106.61 2b94 s ASP 21 Ca 0.02 -0.33 0.13 0.00 1.18 0.00 0.00 52.55 53.54 2b94 s ASP 21 Cb 0.08 0.52 0.99 0.00 -0.34 0.00 0.00 42.92 44.16 2b94 s ASP 21 CO 0.76 -0.92 1.97 -0.65 0.68 0.00 0.00 175.17 177.01 2b94 h PRO 22 N 2.28 0.44 -0.76 2.11 0.11 -1.92 -0.82 132.00 133.44 2b94 h PRO 22 Ca -0.33 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 2b94 h PRO 22 Cb 1.26 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2b94 h PRO 22 CO 0.43 0.29 0.37 0.78 -0.21 0.00 0.00 178.00 179.67 2b94 h GLY 23 N 0.46 1.17 1.55 -0.55 0.00 -1.96 -2.07 103.07 101.66 2b94 h GLY 23 Ca 0.29 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 2b94 h GLY 23 CO -0.08 0.55 -0.36 -0.09 0.00 0.00 0.00 176.54 176.55 2b94 h ARG 24 N 1.07 0.51 -0.72 4.80 9.65 -1.58 -1.19 114.38 126.91 2b94 h ARG 24 Ca 0.26 -0.24 0.07 0.00 -1.10 0.00 0.00 59.98 58.97 2b94 h ARG 24 Cb 0.11 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.62 2b94 h ARG 24 CO -0.03 0.80 0.41 0.28 2.80 0.00 0.00 179.97 184.22 2b94 h VAL 25 N 0.43 0.97 -0.56 0.20 2.07 -1.10 -0.25 116.25 118.00 2b94 h VAL 25 Ca 0.04 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 2b94 h VAL 25 Cb 0.83 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2b94 h VAL 25 CO 0.07 0.13 0.34 0.44 0.02 0.00 0.00 177.57 178.58 2b94 h ASP 26 N 0.74 0.66 -0.53 0.57 3.32 -0.68 -0.20 116.42 120.30 2b94 h ASP 26 Ca 0.32 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.34 2b94 h ASP 26 Cb 0.21 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2b94 h ASP 26 CO -0.19 0.52 0.33 0.50 -1.72 0.00 0.00 179.24 178.67 2b94 h LYS 27 N 0.75 0.65 -0.14 3.56 1.63 -0.76 -2.62 116.57 119.64 2b94 h LYS 27 Ca 0.20 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 2b94 h LYS 27 Cb -0.03 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 2b94 h LYS 27 CO -0.04 0.43 0.03 0.28 -3.45 0.00 0.00 179.45 176.70 2b94 h VAL 28 N 0.67 1.20 -0.30 2.00 2.07 -0.73 -3.11 116.25 118.05 2b94 h VAL 28 Ca 0.20 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 2b94 h VAL 28 Cb -0.02 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2b94 h VAL 28 CO -0.07 0.18 0.00 0.07 0.02 0.00 0.00 177.57 177.77 2b94 h LYS 29 N 0.03 0.46 0.00 1.57 2.10 -0.96 -1.39 116.57 118.38 2b94 h LYS 29 Ca 0.04 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2b94 h LYS 29 Cb 0.26 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2b94 h LYS 29 CO 0.00 0.49 0.00 0.52 -2.00 0.00 0.00 179.45 178.46 2b94 h MET 30 N 0.44 0.00 -0.01 0.07 2.86 -1.45 -2.17 114.93 114.68 2b94 h MET 30 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2b94 h MET 30 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2b94 h MET 30 CO 0.01 0.00 -0.26 1.28 1.06 0.00 0.00 176.91 179.00 2b94 n LEU 31 N -2.57 0.94 -4.93 1.22 4.77 -0.54 -4.93 117.00 110.96 2b94 n LEU 31 Ca 0.02 -0.22 -0.26 0.00 -0.03 0.00 0.00 56.01 55.52 2b94 n LEU 31 Cb 0.30 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 2b94 n LEU 31 CO 0.24 0.18 0.56 0.00 -1.33 0.00 0.00 177.39 177.04 2b94 h ASP 33 N -0.38 0.86 -5.07 0.00 3.32 -1.28 -3.47 116.42 110.41 2b94 h ASP 33 Ca -0.45 -0.30 0.09 0.00 0.02 0.00 0.00 57.03 56.39 2b94 h ASP 33 Cb 1.29 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.55 2b94 h ASP 33 CO 0.60 0.96 0.29 -0.94 -1.72 0.00 0.00 179.24 178.42 2b94 s SER 34 N -6.37 -0.26 0.10 6.45 1.04 -1.09 -5.03 113.70 108.54 2b94 s SER 34 Ca -0.12 -0.53 -0.13 0.00 0.48 0.00 0.00 55.95 55.64 2b94 s SER 34 Cb 0.12 0.67 0.02 0.00 0.10 0.00 0.00 66.02 66.92 2b94 s SER 34 CO 0.82 -1.23 0.32 -0.72 0.98 0.00 0.00 173.24 173.42 2b94 s TYR 35 N -3.76 -0.08 -0.17 5.02 1.13 -1.26 -1.38 117.35 116.85 2b94 s TYR 35 Ca 0.11 -0.25 0.00 0.00 -1.41 0.00 0.00 57.07 55.52 2b94 s TYR 35 Cb -0.05 0.13 0.04 0.00 -1.10 0.00 0.00 41.96 40.98 2b94 s TYR 35 CO 0.05 -0.62 -0.08 0.08 -2.51 0.00 0.00 175.55 172.46 2b94 s VAL 36 N -3.64 1.32 0.07 -3.49 1.01 -0.47 -4.98 120.40 110.22 2b94 s VAL 36 Ca 0.02 -0.70 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 2b94 s VAL 36 Cb 0.02 -1.41 -0.07 0.00 0.00 0.00 0.00 36.38 34.92 2b94 s VAL 36 CO -0.10 0.22 1.44 -1.81 0.00 0.00 0.00 175.10 174.84 2b94 s ASP 37 N 1.55 6.79 -1.01 3.32 1.01 -1.26 -0.95 116.67 126.12 2b94 s ASP 37 Ca 0.01 2.29 -0.04 0.00 0.71 0.00 0.00 52.55 55.52 2b94 s ASP 37 Cb -0.15 -2.57 0.27 0.00 1.01 0.00 0.00 42.92 41.48 2b94 s ASP 37 CO -0.08 -0.71 1.12 0.18 0.21 0.00 0.00 175.17 175.88 2b94 n LEU 38 N 4.67 5.33 -4.75 1.23 4.77 -0.75 -4.94 117.00 122.56 2b94 n LEU 38 Ca 0.13 -5.16 -0.40 0.00 -0.03 0.00 0.00 56.01 50.54 2b94 n LEU 38 Cb 0.42 -1.24 -0.05 0.00 -2.33 0.00 0.00 43.42 40.22 2b94 n LEU 38 CO 0.59 1.58 0.68 0.00 -1.33 0.00 0.00 177.39 178.92 2b94 s ALA 39 N -1.92 3.33 0.00 -1.18 0.00 -1.26 -4.49 121.76 116.24 2b94 s ALA 39 Ca 0.31 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2b94 s ALA 39 Cb -0.02 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2b94 s ALA 39 CO -0.02 0.08 0.00 0.39 0.00 0.00 0.00 175.76 176.20 2b94 n GLU 43 N 1.79 0.00 -3.72 0.00 1.02 -1.26 -5.14 120.64 113.32 2b94 n GLU 43 Ca -0.01 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.98 2b94 n GLU 43 Cb 0.47 -0.34 -0.15 0.00 -0.02 0.00 0.00 31.44 31.40 2b94 n GLU 43 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2b94 s TYR 44 N 0.00 -0.11 -0.20 -0.32 2.02 -1.26 0.81 117.35 118.30 2b94 s TYR 44 Ca 0.00 0.42 -0.10 0.00 -0.37 0.00 0.00 57.07 57.02 2b94 s TYR 44 Cb 0.00 -0.20 -0.05 0.00 -0.40 0.00 0.00 41.96 41.31 2b94 s TYR 44 CO 0.00 -0.18 0.13 0.21 -1.57 0.00 0.00 175.55 174.14 2b94 s LYS 45 N 1.54 4.16 -0.02 -0.62 2.20 -0.11 -4.90 119.74 121.99 2b94 s LYS 45 Ca -0.05 -0.24 0.01 0.00 -0.36 0.00 0.00 55.97 55.34 2b94 s LYS 45 Cb -0.12 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.80 2b94 s LYS 45 CO -0.05 0.28 -0.04 -1.12 -0.36 0.00 0.00 175.35 174.05 2b94 s SER 46 N 0.42 0.71 0.00 1.43 0.01 -1.26 -1.18 113.70 113.83 2b94 s SER 46 Ca 0.07 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.24 2b94 s SER 46 Cb -0.11 -0.22 -0.00 0.00 0.21 0.00 0.00 66.02 65.89 2b94 s SER 46 CO -0.01 0.00 -0.02 -0.69 0.41 0.00 0.00 173.24 172.93 2b94 s VAL 47 N 0.39 0.18 -0.35 3.43 1.01 -0.65 -1.81 120.40 122.60 2b94 s VAL 47 Ca -0.05 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.54 2b94 s VAL 47 Cb -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.12 2b94 s VAL 47 CO -0.00 -0.01 0.60 -0.70 0.00 0.00 0.00 175.10 174.98 2b94 s GLU 48 N -0.22 3.66 0.09 2.72 2.12 -0.13 -0.70 118.70 126.24 2b94 s GLU 48 Ca -0.01 -0.01 -0.14 0.00 0.36 0.00 0.00 54.97 55.16 2b94 s GLU 48 Cb -0.02 -3.81 -0.06 0.00 0.26 0.00 0.00 34.13 30.50 2b94 s GLU 48 CO -0.00 -0.70 0.50 0.00 -0.54 0.00 0.00 175.26 174.51 2b94 s THR 50 N -1.31 2.59 -0.09 0.00 2.01 -0.48 -1.22 115.64 117.15 2b94 s THR 50 Ca 0.33 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.51 2b94 s THR 50 Cb -0.16 -2.11 0.05 0.00 0.01 0.00 0.00 72.50 70.29 2b94 s THR 50 CO 0.18 0.51 0.18 -0.47 -0.69 0.00 0.00 174.62 174.33 2b94 s TYR 51 N 1.05 -0.23 -1.57 4.92 5.04 -0.62 -0.86 117.35 125.08 2b94 s TYR 51 Ca -0.01 0.64 -0.13 0.00 -2.44 0.00 0.00 57.07 55.13 2b94 s TYR 51 Cb -0.15 -0.11 0.10 0.00 0.35 0.00 0.00 41.96 42.15 2b94 s TYR 51 CO -0.04 -0.24 0.83 1.63 -1.34 0.00 0.00 175.55 176.39 2b94 n LYS 52 N 4.72 -4.33 -0.48 4.97 4.76 -1.26 -1.82 118.16 124.73 2b94 n LYS 52 Ca -0.17 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 2b94 n LYS 52 Cb 0.51 -5.22 0.00 0.00 -1.84 0.00 0.00 35.03 28.48 2b94 n LYS 52 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b94 n GLY 53 N -1.60 1.69 3.59 0.72 0.00 -1.26 -5.03 105.19 103.29 2b94 n GLY 53 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2b94 n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2b94 s GLN 54 N -0.13 2.54 -0.20 1.61 -1.52 -0.75 -5.10 119.66 116.11 2b94 s GLN 54 Ca 0.00 -0.72 -0.09 0.00 -1.95 0.00 0.00 55.36 52.59 2b94 s GLN 54 Cb 0.00 -2.49 -0.05 0.00 -0.22 0.00 0.00 33.01 30.25 2b94 s GLN 54 CO 0.00 0.60 0.11 0.15 -0.25 0.00 0.00 175.29 175.91 2b94 s LYS 55 N -1.38 4.12 -0.00 2.91 1.02 -1.26 -1.58 119.74 123.57 2b94 s LYS 55 Ca 0.17 -0.26 -0.16 0.00 0.02 0.00 0.00 55.97 55.74 2b94 s LYS 55 Cb -0.11 -3.37 0.03 0.00 -0.52 0.00 0.00 37.83 33.86 2b94 s LYS 55 CO 0.07 0.28 0.35 -0.59 -0.92 0.00 0.00 175.35 174.53 2b94 s PHE 56 N 0.41 -0.21 0.46 3.18 -0.71 -0.36 -4.78 117.98 115.97 2b94 s PHE 56 Ca 0.07 0.28 -0.20 0.00 -1.04 0.00 0.00 56.93 56.04 2b94 s PHE 56 Cb -0.12 0.13 -0.10 0.00 -1.21 0.00 0.00 43.02 41.73 2b94 s PHE 56 CO -0.01 -0.44 0.96 -0.51 -1.34 0.00 0.00 175.22 173.88 2b94 s LEU 57 N -1.50 3.85 -0.13 -1.99 1.43 -1.19 0.36 118.68 119.51 2b94 s LEU 57 Ca -0.11 1.67 0.02 0.00 -1.03 0.00 0.00 54.13 54.68 2b94 s LEU 57 Cb -0.04 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.66 2b94 s LEU 57 CO 0.03 -0.44 -0.19 0.00 0.23 0.00 0.00 176.35 175.98 2b94 s VAL 59 N 0.93 1.09 0.19 0.00 1.01 -0.39 -1.64 120.40 121.60 2b94 s VAL 59 Ca -0.06 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 2b94 s VAL 59 Cb -0.15 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2b94 s VAL 59 CO -0.03 0.03 0.25 -0.94 0.00 0.00 0.00 175.10 174.41 2b94 s SER 60 N -1.04 0.08 0.55 3.32 1.04 -0.32 -0.98 113.70 116.34 2b94 s SER 60 Ca 0.02 -1.10 -0.12 0.00 0.48 0.00 0.00 55.95 55.23 2b94 s SER 60 Cb -0.08 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.43 2b94 s SER 60 CO 0.01 -0.91 0.95 -1.38 0.98 0.00 0.00 173.24 172.89 2b94 s HIS 61 N -4.05 3.55 0.00 5.02 -3.43 -1.26 -0.94 115.29 114.18 2b94 s HIS 61 Ca 0.27 1.24 0.00 0.00 -0.80 0.00 0.00 55.06 55.77 2b94 s HIS 61 Cb 0.04 -2.65 0.00 0.00 -1.43 0.00 0.00 32.58 28.54 2b94 s HIS 61 CO 0.06 -0.48 0.00 0.41 -2.00 0.00 0.00 174.74 172.74 2b94 n GLY 62 N -2.19 5.11 3.75 -1.38 0.00 0.24 -4.04 105.19 106.69 2b94 n GLY 62 Ca 0.05 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 2b94 n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b94 s VAL 63 N 1.12 2.32 0.00 1.61 0.11 -1.26 -3.51 120.40 120.79 2b94 s VAL 63 Ca 0.00 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 2b94 s VAL 63 Cb 0.00 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 2b94 s VAL 63 CO 0.00 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.43 2b94 n GLY 64 N 1.89 0.59 3.14 6.54 0.00 -1.26 -4.50 105.19 111.59 2b94 n GLY 64 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 2b94 n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b94 s SER 65 N -2.14 0.83 -0.01 1.61 1.04 -1.23 -5.07 113.70 108.72 2b94 s SER 65 Ca 0.00 -1.03 0.21 0.00 0.48 0.00 0.00 55.95 55.61 2b94 s SER 65 Cb 0.00 0.15 -0.26 0.00 0.10 0.00 0.00 66.02 66.01 2b94 s SER 65 CO 0.00 -0.54 0.71 0.00 0.98 0.00 0.00 173.24 174.39 2b94 n ALA 66 N 0.00 3.94 -3.00 5.32 0.00 -1.26 -4.87 120.51 120.64 2b94 n ALA 66 Ca -0.12 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2b94 n ALA 66 Cb 0.61 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.33 2b94 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b94 n GLY 67 N 1.41 1.81 0.48 0.00 0.00 -1.26 -4.93 105.19 102.71 2b94 n GLY 67 Ca 0.01 -0.62 0.06 0.00 0.00 0.00 0.00 46.02 45.46 2b94 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b94 h ALA 69 N 0.32 0.76 -0.67 0.00 0.00 -1.97 0.83 119.26 118.54 2b94 h ALA 69 Ca -0.03 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2b94 h ALA 69 Cb 1.23 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 2b94 h ALA 69 CO 0.01 -0.28 0.31 0.97 0.00 0.00 0.00 179.25 180.26 2b94 h ILE 70 N 0.30 1.22 -0.20 0.00 6.09 -2.00 -1.59 117.51 121.33 2b94 h ILE 70 Ca 0.32 -0.64 0.02 0.00 -1.37 0.00 0.00 64.86 63.19 2b94 h ILE 70 Cb 0.47 0.38 -0.02 0.00 0.47 0.00 0.00 36.82 38.12 2b94 h ILE 70 CO -0.38 0.26 0.09 0.00 -3.07 0.00 0.00 178.15 175.05 2b94 h PHE 72 N 0.20 0.38 -0.17 0.00 0.04 -0.51 0.49 116.94 117.37 2b94 h PHE 72 Ca 0.08 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.88 2b94 h PHE 72 Cb 0.03 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 2b94 h PHE 72 CO -0.10 0.19 0.08 1.49 -0.60 0.00 0.00 178.31 179.37 2b94 h GLU 73 N 0.42 0.17 -0.09 1.51 4.57 -0.99 -1.63 114.58 118.53 2b94 h GLU 73 Ca 0.19 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.17 2b94 h GLU 73 Cb 0.10 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2b94 h GLU 73 CO -0.14 0.11 -0.73 0.93 -1.18 0.00 0.00 179.01 178.01 2b94 h GLU 74 N 0.17 0.44 -0.50 1.92 5.08 -0.91 0.31 114.58 121.11 2b94 h GLU 74 Ca 0.07 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2b94 h GLU 74 Cb 0.02 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2b94 h GLU 74 CO -0.05 0.99 0.27 -0.07 -1.00 0.00 0.00 179.01 179.15 2b94 h LEU 75 N 0.30 0.63 -0.65 1.33 3.38 -0.83 -1.00 115.31 118.47 2b94 h LEU 75 Ca -0.03 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 2b94 h LEU 75 Cb 1.30 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2b94 h LEU 75 CO 0.13 0.54 -0.16 0.24 0.09 0.00 0.00 178.44 179.28 2b94 h MET 76 N 0.66 0.89 -0.95 1.13 2.86 -1.15 -1.79 114.93 116.58 2b94 h MET 76 Ca 0.17 -0.34 0.11 0.00 -2.06 0.00 0.00 59.70 57.59 2b94 h MET 76 Cb 0.06 -0.05 -0.08 0.00 0.06 0.00 0.00 31.60 31.59 2b94 h MET 76 CO -0.03 0.98 0.58 -0.91 1.06 0.00 0.00 176.91 178.60 2b94 h ASN 77 N 0.79 0.85 -0.01 1.22 2.35 -0.62 -1.62 115.58 118.54 2b94 h ASN 77 Ca 0.12 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2b94 h ASN 77 Cb 0.69 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2b94 h ASN 77 CO 0.05 0.47 0.00 0.59 -1.65 0.00 0.00 177.43 176.89 2b94 n ASN 78 N -4.65 0.06 0.00 5.81 3.02 -0.41 -4.90 115.26 114.19 2b94 n ASN 78 Ca 0.17 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 2b94 n ASN 78 Cb 0.32 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 2b94 n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b94 n GLY 79 N 0.73 0.85 3.72 7.41 0.00 -0.61 -4.57 105.19 112.71 2b94 n GLY 79 Ca 0.10 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2b94 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b94 n ALA 80 N -1.14 1.68 -0.04 4.61 0.00 -0.72 -4.76 120.51 120.13 2b94 n ALA 80 Ca 0.00 0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.80 2b94 n ALA 80 Cb 0.00 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.02 2b94 n ALA 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2b94 n LYS 81 N 0.98 1.24 -3.78 0.00 4.76 0.12 -4.71 118.16 116.77 2b94 n LYS 81 Ca 0.06 -0.06 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 2b94 n LYS 81 Cb 0.36 -1.34 -0.17 0.00 -1.84 0.00 0.00 35.03 32.05 2b94 n LYS 81 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2b94 s VAL 82 N -2.60 -0.00 -0.07 -0.18 1.01 -0.50 -1.16 120.40 116.88 2b94 s VAL 82 Ca -0.06 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.17 2b94 s VAL 82 Cb 0.06 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.30 2b94 s VAL 82 CO 0.56 0.13 -0.10 -0.63 0.00 0.00 0.00 175.10 175.06 2b94 s ILE 83 N 1.34 1.03 -0.12 2.22 1.01 0.19 -1.06 121.20 125.82 2b94 s ILE 83 Ca -0.06 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.23 2b94 s ILE 83 Cb -0.13 -0.98 -0.00 0.00 0.01 0.00 0.00 42.46 41.36 2b94 s ILE 83 CO -0.03 0.34 -0.21 -0.63 0.00 0.00 0.00 174.94 174.41 2b94 s ILE 84 N 0.92 2.32 -0.23 2.92 1.01 -0.29 -2.76 121.20 125.09 2b94 s ILE 84 Ca -0.10 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.49 2b94 s ILE 84 Cb -0.15 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 2b94 s ILE 84 CO 0.01 0.55 0.31 -0.60 0.00 0.00 0.00 174.94 175.20 2b94 s ARG 85 N 0.44 4.11 -0.04 2.79 6.06 -0.65 -0.25 118.95 131.41 2b94 s ARG 85 Ca -0.15 0.00 0.06 0.00 -2.50 0.00 0.00 55.73 53.15 2b94 s ARG 85 Cb -0.17 -3.56 -0.01 0.00 0.06 0.00 0.00 34.95 31.27 2b94 s ARG 85 CO 0.06 -0.05 -0.23 0.00 -2.50 0.00 0.00 175.30 172.58 2b94 s ALA 86 N 1.36 1.98 0.00 6.12 0.00 -0.26 -1.50 121.76 129.45 2b94 s ALA 86 Ca 0.14 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2b94 s ALA 86 Cb -0.15 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2b94 s ALA 86 CO 0.07 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.66 2b94 n GLY 87 N 2.80 1.00 3.94 0.00 0.00 -0.72 -4.10 105.19 108.11 2b94 n GLY 87 Ca -0.17 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 2b94 n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2b94 s SER 88 N 2.00 6.33 0.18 1.61 0.01 -1.26 -0.92 113.70 121.65 2b94 s SER 88 Ca 0.00 0.44 -0.09 0.00 1.31 0.00 0.00 55.95 57.61 2b94 s SER 88 Cb 0.00 -2.03 -0.01 0.00 0.21 0.00 0.00 66.02 64.19 2b94 s SER 88 CO 0.00 -0.22 0.30 0.00 0.41 0.00 0.00 173.24 173.73 2b94 s GLY 90 N -2.99 1.83 0.05 0.00 0.00 -0.05 -0.36 107.32 105.80 2b94 s GLY 90 Ca 0.19 -0.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.81 2b94 s GLY 90 CO 0.02 -0.42 0.99 -0.45 0.00 0.00 0.00 173.10 173.24 2b94 s SER 91 N -0.52 7.40 0.00 1.64 0.15 0.43 -0.40 113.70 122.39 2b94 s SER 91 Ca 0.09 1.74 0.20 0.00 0.70 0.00 0.00 55.95 58.68 2b94 s SER 91 Cb -0.12 -2.58 0.51 0.00 -1.71 0.00 0.00 66.02 62.13 2b94 s SER 91 CO 0.02 -0.20 1.43 0.18 1.20 0.00 0.00 173.24 175.88 2b94 n LEU 92 N 3.45 3.59 -3.39 3.45 4.77 -0.16 -3.83 117.00 124.88 2b94 n LEU 92 Ca 0.05 -1.86 -0.26 0.00 -0.03 0.00 0.00 56.01 53.91 2b94 n LEU 92 Cb 0.50 -0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 41.13 2b94 n LEU 92 CO 0.52 0.87 -0.19 0.00 -1.33 0.00 0.00 177.39 177.25 2b94 n GLN 93 N 1.37 1.08 -0.19 3.23 1.13 -1.23 -4.75 117.38 118.02 2b94 n GLN 93 Ca 0.20 -3.67 0.22 0.00 -1.94 0.00 0.00 57.00 51.81 2b94 n GLN 93 Cb 0.57 -1.70 0.59 0.00 0.11 0.00 0.00 30.24 29.82 2b94 n GLN 93 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 2b94 h PRO 94 N 4.69 0.24 -0.00 -1.09 0.11 -1.83 0.58 132.00 134.69 2b94 h PRO 94 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2b94 h PRO 94 Cb 0.83 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2b94 h PRO 94 CO 0.55 0.16 -0.19 0.25 -0.21 0.00 0.00 178.00 178.55 2b94 n THR 95 N -4.42 0.00 -0.02 -1.15 -2.24 -1.26 -4.15 114.28 101.04 2b94 n THR 95 Ca 0.18 -0.06 -0.02 0.00 -2.27 0.00 0.00 64.05 61.87 2b94 n THR 95 Cb 0.76 0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 2b94 n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b94 n GLN 96 N -1.03 1.73 -4.10 -0.78 6.02 -0.27 -5.03 117.38 113.92 2b94 n GLN 96 Ca 0.12 0.01 -0.25 0.00 -0.01 0.00 0.00 57.00 56.87 2b94 n GLN 96 Cb 0.31 -1.08 -0.17 0.00 1.02 0.00 0.00 30.24 30.31 2b94 n GLN 96 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2b94 s MET 97 N -2.08 1.37 0.45 -1.09 -1.94 0.04 -5.11 119.30 110.94 2b94 s MET 97 Ca -0.04 -0.23 0.05 0.00 -1.71 0.00 0.00 55.69 53.76 2b94 s MET 97 Cb 0.01 -1.37 -0.05 0.00 2.01 0.00 0.00 34.83 35.43 2b94 s MET 97 CO 0.12 -0.17 0.03 -1.59 -0.01 0.00 0.00 175.02 173.40 2b94 s LYS 98 N 1.37 2.08 0.14 2.03 -2.85 -1.26 -4.28 119.74 116.97 2b94 s LYS 98 Ca -0.02 -2.20 -0.34 0.00 -1.00 0.00 0.00 55.97 52.41 2b94 s LYS 98 Cb -0.14 -1.64 -0.16 0.00 -2.06 0.00 0.00 37.83 33.84 2b94 s LYS 98 CO -0.04 -0.19 1.25 -2.13 0.10 0.00 0.00 175.35 174.35 2b94 n ARG 99 N -1.13 1.23 0.00 1.78 3.00 -1.26 -1.59 116.66 118.70 2b94 n ARG 99 Ca -0.10 0.44 0.00 0.00 -0.00 0.00 0.00 57.85 58.19 2b94 n ARG 99 Cb 0.67 -2.01 0.00 0.00 0.00 0.00 0.00 32.46 31.12 2b94 n ARG 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2b94 n GLY 100 N 2.26 2.84 3.75 5.14 0.00 0.45 -4.98 105.19 114.66 2b94 n GLY 100 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2b94 n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b94 s ASP 101 N -1.39 4.52 -0.09 1.61 1.01 -0.62 -4.65 116.67 117.04 2b94 s ASP 101 Ca 0.00 2.01 0.03 0.00 0.71 0.00 0.00 52.55 55.31 2b94 s ASP 101 Cb 0.00 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 2b94 s ASP 101 CO 0.00 -2.03 -0.21 -0.63 0.21 0.00 0.00 175.17 172.51 2b94 s ILE 102 N -2.52 2.38 -0.11 0.77 1.01 -1.26 -0.66 121.20 120.81 2b94 s ILE 102 Ca 0.66 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 60.42 2b94 s ILE 102 Cb -0.21 -1.93 -0.00 0.00 0.01 0.00 0.00 42.46 40.33 2b94 s ILE 102 CO 0.49 0.56 -0.22 0.00 0.00 0.00 0.00 174.94 175.77 2b94 s ILE 104 N 0.39 3.82 -0.07 0.00 1.01 -0.17 -0.84 121.20 125.33 2b94 s ILE 104 Ca -0.16 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 2b94 s ILE 104 Cb -0.17 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 2b94 s ILE 104 CO 0.07 0.16 0.14 0.00 0.00 0.00 0.00 174.94 175.32 2b94 n ASN 106 N 1.57 0.54 -3.65 0.00 6.94 -1.07 -4.45 115.26 115.15 2b94 n ASN 106 Ca -0.16 0.11 -0.07 0.00 -0.02 0.00 0.00 54.58 54.44 2b94 n ASN 106 Cb 0.54 1.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.95 2b94 n ASN 106 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2b94 s ALA 107 N -3.38 -1.17 -0.02 -2.53 0.00 -1.26 -0.92 121.76 112.49 2b94 s ALA 107 Ca -0.02 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 2b94 s ALA 107 Cb 0.12 0.79 0.00 0.00 0.00 0.00 0.00 23.12 24.04 2b94 s ALA 107 CO 0.83 -1.03 0.13 0.00 0.00 0.00 0.00 175.76 175.69 2b94 s ALA 108 N -3.50 -0.30 0.02 0.00 0.00 -0.01 -1.54 121.76 116.42 2b94 s ALA 108 Ca 0.12 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 2b94 s ALA 108 Cb -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 2b94 s ALA 108 CO 0.07 -0.16 1.10 0.08 0.00 0.00 0.00 175.76 176.86 2b94 s VAL 109 N -0.87 4.43 -1.36 0.00 1.01 0.16 -4.23 120.40 119.54 2b94 s VAL 109 Ca -0.10 1.74 -0.12 0.00 0.00 0.00 0.00 61.98 63.51 2b94 s VAL 109 Cb -0.05 -4.12 0.10 0.00 0.00 0.00 0.00 36.38 32.31 2b94 s VAL 109 CO 0.01 0.12 2.02 0.54 0.00 0.00 0.00 175.10 177.78 2b94 n ARG 110 N 4.07 3.24 -1.25 2.72 1.74 -1.26 -1.35 116.66 124.57 2b94 n ARG 110 Ca 0.08 -3.10 -0.26 0.00 -0.77 0.00 0.00 57.85 53.79 2b94 n ARG 110 Cb 0.48 -3.12 0.15 0.00 -1.02 0.00 0.00 32.46 28.96 2b94 n ARG 110 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2b94 n GLU 111 N 5.15 2.36 0.00 5.56 1.02 -0.68 -4.71 120.64 129.35 2b94 n GLU 111 Ca 0.46 -3.10 0.12 0.00 -0.02 0.00 0.00 57.16 54.61 2b94 n GLU 111 Cb 0.38 -2.20 0.09 0.00 -0.02 0.00 0.00 31.44 29.70 2b94 n GLU 111 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2b94 n ASP 112 N -1.09 2.17 0.00 1.62 5.75 -1.02 -0.97 116.55 123.02 2b94 n ASP 112 Ca 0.60 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.79 2b94 n ASP 112 Cb 1.38 0.28 0.00 0.00 -1.03 0.00 0.00 41.12 41.76 2b94 n ASP 112 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2b94 n ARG 113 N 0.31 0.00 -0.28 0.11 3.00 -1.26 -4.58 116.66 113.97 2b94 n ARG 113 Ca 0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.92 2b94 n ARG 113 Cb 0.49 0.00 0.09 0.00 0.00 0.00 0.00 32.46 33.04 2b94 n ARG 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2b94 h VAL 114 N 0.00 1.25 -0.13 5.15 2.07 -1.98 -2.83 116.25 119.79 2b94 h VAL 114 Ca 0.00 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 2b94 h VAL 114 Cb 0.00 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2b94 h VAL 114 CO 0.00 0.32 0.05 0.77 0.02 0.00 0.00 177.57 178.74 2b94 h SER 115 N 1.13 0.15 0.94 0.57 4.64 -1.91 -1.56 113.55 117.51 2b94 h SER 115 Ca 0.27 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2b94 h SER 115 Cb 0.18 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2b94 h SER 115 CO -0.03 0.14 0.00 0.45 -0.87 0.00 0.00 176.83 176.52 2b94 h HIS 116 N 0.18 0.00 0.00 4.77 -0.00 -1.68 -0.98 115.15 117.43 2b94 h HIS 116 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.40 2b94 h HIS 116 Cb 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.44 2b94 h HIS 116 CO 0.00 0.00 -0.08 -0.07 -0.00 0.00 0.00 177.93 177.78 2b94 h LEU 117 N 0.00 0.00 0.10 2.43 3.38 -1.38 -3.34 115.31 116.50 2b94 h LEU 117 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2b94 h LEU 117 Cb 0.47 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2b94 h LEU 117 CO 0.00 0.08 -2.07 0.23 0.09 0.00 0.00 178.44 176.77 2b94 n MET 118 N -3.13 0.73 -3.48 1.13 2.81 -0.44 -5.03 117.12 109.72 2b94 n MET 118 Ca 0.03 0.24 -0.15 0.00 -1.81 0.00 0.00 57.70 56.02 2b94 n MET 118 Cb 0.53 -1.68 -0.04 0.00 -0.71 0.00 0.00 33.22 31.32 2b94 n MET 118 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2b94 s ILE 119 N -2.55 0.00 0.69 2.02 1.10 -0.80 -5.15 121.20 116.52 2b94 s ILE 119 Ca -0.24 -0.03 -0.16 0.00 -0.51 0.00 0.00 60.65 59.71 2b94 s ILE 119 Cb 0.07 -1.00 -0.02 0.00 0.15 0.00 0.00 42.46 41.66 2b94 s ILE 119 CO 0.74 -0.02 0.79 -1.22 -2.11 0.00 0.00 174.94 173.12 2b94 n TYR 120 N 0.22 0.10 0.27 3.50 4.01 -1.26 -4.30 117.16 119.69 2b94 n TYR 120 Ca -0.18 0.39 0.11 0.00 -0.16 0.00 0.00 57.90 58.06 2b94 n TYR 120 Cb 0.61 -2.02 0.73 0.00 -0.31 0.00 0.00 39.34 38.35 2b94 n TYR 120 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2b94 h SER 121 N -0.16 0.00 0.65 7.72 0.02 -1.94 -2.65 113.55 117.18 2b94 h SER 121 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2b94 h SER 121 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2b94 h SER 121 CO 0.46 0.04 0.00 0.44 -1.14 0.00 0.00 176.83 176.63 2b94 h ASP 122 N 0.00 0.00 -3.48 3.07 3.32 -2.03 -3.44 116.42 113.85 2b94 h ASP 122 Ca -0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 2b94 h ASP 122 Cb 0.09 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.66 2b94 h ASP 122 CO 0.01 0.00 0.56 0.12 -1.72 0.00 0.00 179.24 178.21 2b94 s PHE 123 N -3.74 3.42 0.15 4.55 5.36 -1.00 -4.99 117.98 121.73 2b94 s PHE 123 Ca -0.00 1.41 -0.30 0.00 -0.96 0.00 0.00 56.93 57.08 2b94 s PHE 123 Cb 0.10 -3.44 -0.07 0.00 -0.34 0.00 0.00 43.02 39.27 2b94 s PHE 123 CO 0.46 -1.24 0.95 -1.25 -1.46 0.00 0.00 175.22 172.68 2b94 s PRO 124 N -0.25 4.75 -0.52 10.12 0.04 -1.26 -5.01 135.00 142.86 2b94 s PRO 124 Ca 0.53 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 62.76 2b94 s PRO 124 Cb -0.33 -3.34 0.03 0.00 0.04 0.00 0.00 34.50 30.90 2b94 s PRO 124 CO 0.37 0.32 1.06 0.00 0.04 0.00 0.00 177.00 178.79 2b94 s ALA 125 N -0.41 3.13 -0.00 8.56 0.00 -1.26 -4.81 121.76 126.97 2b94 s ALA 125 Ca 0.45 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.59 2b94 s ALA 125 Cb -0.24 -3.84 -0.00 0.00 0.00 0.00 0.00 23.12 19.04 2b94 s ALA 125 CO 0.30 -2.36 -0.04 0.54 0.00 0.00 0.00 175.76 174.21 2b94 s VAL 126 N 4.32 0.32 0.73 0.00 0.11 -1.26 -0.83 120.40 123.79 2b94 s VAL 126 Ca 0.40 -0.18 -0.11 0.00 -2.93 0.00 0.00 61.98 59.16 2b94 s VAL 126 Cb -0.09 -0.28 0.03 0.00 -1.53 0.00 0.00 36.38 34.52 2b94 s VAL 126 CO 0.26 0.09 1.09 0.00 -3.33 0.00 0.00 175.10 173.20 2b94 s ALA 127 N -0.10 2.39 0.14 1.54 0.00 -0.09 -4.77 121.76 120.87 2b94 s ALA 127 Ca 0.02 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 51.95 2b94 s ALA 127 Cb -0.02 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 2b94 s ALA 127 CO -0.00 -1.54 1.35 0.34 0.00 0.00 0.00 175.76 175.90 2b94 s ASP 128 N -3.32 6.87 0.27 0.00 2.15 -0.13 -4.95 116.67 117.56 2b94 s ASP 128 Ca 0.61 2.33 -0.04 0.00 0.43 0.00 0.00 52.55 55.89 2b94 s ASP 128 Cb -0.17 -2.59 0.35 0.00 -0.30 0.00 0.00 42.92 40.20 2b94 s ASP 128 CO 0.53 -0.59 1.95 2.19 -0.17 0.00 0.00 175.17 179.07 2b94 h PHE 129 N 6.26 1.16 -0.51 -5.34 -0.00 -1.95 -1.37 116.94 115.19 2b94 h PHE 129 Ca -0.43 0.03 -0.07 0.00 -0.00 0.00 0.00 57.97 57.49 2b94 h PHE 129 Cb 1.21 -0.39 -0.02 0.00 -0.00 0.00 0.00 35.95 36.75 2b94 h PHE 129 CO 0.64 0.73 0.03 1.49 -0.00 0.00 0.00 178.31 181.20 2b94 h GLU 130 N 1.25 0.89 0.01 6.09 4.81 -1.94 0.25 114.58 125.94 2b94 h GLU 130 Ca 0.34 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2b94 h GLU 130 Cb -0.14 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.15 2b94 h GLU 130 CO -0.07 0.90 -0.00 0.28 -0.73 0.00 0.00 179.01 179.38 2b94 h VAL 131 N 0.76 1.13 -0.26 0.32 2.07 -1.79 0.64 116.25 119.12 2b94 h VAL 131 Ca 0.15 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.30 2b94 h VAL 131 Cb 0.48 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 2b94 h VAL 131 CO 0.02 0.11 -0.02 0.22 0.02 0.00 0.00 177.57 177.92 2b94 h TYR 132 N -0.19 -0.05 -0.77 1.57 3.20 -1.09 -0.87 116.97 118.75 2b94 h TYR 132 Ca -0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 2b94 h TYR 132 Cb 0.19 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 2b94 h TYR 132 CO -0.02 -0.06 0.41 0.22 -1.64 0.00 0.00 178.16 177.07 2b94 h ASP 133 N 0.05 0.98 -0.34 -2.11 3.58 -0.42 -2.32 116.42 115.85 2b94 h ASP 133 Ca 0.12 -0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 2b94 h ASP 133 Cb 0.17 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2b94 h ASP 133 CO -0.23 0.81 0.04 0.74 -2.88 0.00 0.00 179.24 177.72 2b94 h THR 134 N 1.07 1.24 -0.60 2.25 2.02 -0.45 0.03 112.91 118.47 2b94 h THR 134 Ca 0.27 -0.86 0.07 0.00 0.77 0.00 0.00 66.41 66.65 2b94 h THR 134 Cb 0.06 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.56 2b94 h THR 134 CO -0.04 0.29 0.29 -0.07 0.37 0.00 0.00 175.52 176.36 2b94 h LEU 135 N 0.39 0.39 -0.40 2.58 3.38 -1.05 0.65 115.31 121.26 2b94 h LEU 135 Ca 0.10 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2b94 h LEU 135 Cb 0.38 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2b94 h LEU 135 CO 0.01 0.25 0.05 0.78 0.09 0.00 0.00 178.44 179.62 2b94 h ASN 136 N 0.53 0.65 -0.39 -0.43 2.35 -1.15 -1.91 115.58 115.24 2b94 h ASN 136 Ca 0.28 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2b94 h ASN 136 Cb 0.25 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2b94 h ASN 136 CO -0.22 0.76 0.26 0.11 -1.65 0.00 0.00 177.43 176.69 2b94 h LYS 137 N 0.52 0.52 -0.57 0.81 6.56 -0.65 -1.58 116.57 122.19 2b94 h LYS 137 Ca 0.12 -0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.69 2b94 h LYS 137 Cb 0.40 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.91 2b94 h LYS 137 CO 0.01 0.35 0.37 0.28 -2.06 0.00 0.00 179.45 178.40 2b94 h VAL 138 N 0.53 1.13 -0.81 0.50 2.07 -0.80 -1.25 116.25 117.62 2b94 h VAL 138 Ca 0.14 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2b94 h VAL 138 Cb -0.05 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 2b94 h VAL 138 CO -0.03 0.14 0.46 0.00 0.02 0.00 0.00 177.57 178.16 2b94 h ALA 139 N 1.22 1.03 -0.40 1.67 0.00 -1.16 -0.25 119.26 121.36 2b94 h ALA 139 Ca 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2b94 h ALA 139 Cb -0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 2b94 h ALA 139 CO -0.06 0.53 0.25 0.37 0.00 0.00 0.00 179.25 180.34 2b94 h GLN 140 N 1.12 0.55 -0.54 0.00 5.75 -0.97 0.82 115.11 121.83 2b94 h GLN 140 Ca 0.29 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.67 2b94 h GLN 140 Cb 0.01 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 2b94 h GLN 140 CO -0.05 0.40 0.05 0.93 -2.65 0.00 0.00 178.83 177.51 2b94 h GLU 141 N 0.53 0.89 0.00 1.69 5.08 -0.90 -1.81 114.58 120.06 2b94 h GLU 141 Ca 0.15 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2b94 h GLU 141 Cb -0.01 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2b94 h GLU 141 CO -0.03 0.85 0.00 1.28 -1.00 0.00 0.00 179.01 180.11 2b94 n LEU 142 N -4.22 0.00 -3.64 1.33 4.77 -0.13 -4.91 117.00 110.19 2b94 n LEU 142 Ca 0.03 0.22 -0.25 0.00 -0.03 0.00 0.00 56.01 55.98 2b94 n LEU 142 Cb 0.29 -0.22 0.07 0.00 -2.33 0.00 0.00 43.42 41.23 2b94 n LEU 142 CO 0.42 -0.01 0.22 -0.62 -1.33 0.00 0.00 177.39 176.07 2b94 n GLU 143 N -1.22 -7.58 -3.71 3.23 1.02 -0.18 -4.99 120.64 107.21 2b94 n GLU 143 Ca 0.16 0.79 -0.37 0.00 -0.02 0.00 0.00 57.16 57.72 2b94 n GLU 143 Cb 0.20 -5.83 -0.12 0.00 -0.02 0.00 0.00 31.44 25.67 2b94 n GLU 143 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2b94 s VAL 144 N -3.32 4.55 0.33 2.62 1.01 0.10 -5.03 120.40 120.66 2b94 s VAL 144 Ca 0.58 -0.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.17 2b94 s VAL 144 Cb -0.26 -3.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 2b94 s VAL 144 CO 0.75 0.30 1.13 -2.16 0.00 0.00 0.00 175.10 175.12 2b94 s PRO 145 N 1.65 4.42 0.14 2.72 0.04 -1.26 -4.41 135.00 138.29 2b94 s PRO 145 Ca 0.06 1.83 -0.00 0.00 0.04 0.00 0.00 61.00 62.93 2b94 s PRO 145 Cb -0.15 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 2b94 s PRO 145 CO 0.05 0.00 0.05 0.14 0.04 0.00 0.00 177.00 177.28 2b94 s VAL 146 N -1.28 0.23 0.16 -0.36 -7.23 -1.26 -4.49 120.40 106.16 2b94 s VAL 146 Ca 0.49 -1.93 0.08 0.00 -1.81 0.00 0.00 61.98 58.82 2b94 s VAL 146 Cb -0.31 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 2b94 s VAL 146 CO 0.40 -0.45 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.30 2b94 s PHE 147 N -3.97 2.70 -0.03 2.82 0.08 0.83 -5.00 117.98 115.41 2b94 s PHE 147 Ca 0.25 -0.19 0.06 0.00 0.12 0.00 0.00 56.93 57.17 2b94 s PHE 147 Cb 0.07 -1.34 -0.01 0.00 -0.57 0.00 0.00 43.02 41.17 2b94 s PHE 147 CO 0.03 0.49 -0.22 -0.80 -0.10 0.00 0.00 175.22 174.62 2b94 s ASN 148 N -2.67 2.58 0.00 1.36 0.02 -1.26 -1.00 114.94 113.97 2b94 s ASN 148 Ca 0.24 -0.41 0.00 0.00 -1.02 0.00 0.00 52.86 51.67 2b94 s ASN 148 Cb -0.09 -0.44 0.00 0.00 0.02 0.00 0.00 41.25 40.73 2b94 s ASN 148 CO 0.15 0.24 0.00 0.61 0.02 0.00 0.00 177.10 178.13 2b94 n GLY 149 N 2.73 -1.24 3.79 0.66 0.00 -1.22 -4.99 105.19 104.91 2b94 n GLY 149 Ca -0.16 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 2b94 n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b94 s ILE 150 N -2.39 4.38 0.07 -0.61 1.01 -1.26 -2.59 121.20 119.81 2b94 s ILE 150 Ca 0.00 1.63 0.03 0.00 0.00 0.00 0.00 60.65 62.31 2b94 s ILE 150 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 2b94 s ILE 150 CO 0.00 0.36 0.06 -0.55 0.00 0.00 0.00 174.94 174.82 2b94 s SER 151 N -1.38 5.46 -0.33 3.58 0.15 -0.59 -0.48 113.70 120.10 2b94 s SER 151 Ca 0.41 -0.02 -0.16 0.00 0.70 0.00 0.00 55.95 56.88 2b94 s SER 151 Cb -0.21 -1.45 -0.01 0.00 -1.71 0.00 0.00 66.02 62.64 2b94 s SER 151 CO 0.25 0.19 0.42 -0.22 1.20 0.00 0.00 173.24 175.07 2b94 s LEU 152 N -2.28 4.35 -0.37 3.45 2.96 0.80 0.40 118.68 127.99 2b94 s LEU 152 Ca 0.28 -0.08 -0.22 0.00 -0.22 0.00 0.00 54.13 53.89 2b94 s LEU 152 Cb -0.12 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.13 2b94 s LEU 152 CO 0.20 -0.37 0.71 -0.44 -1.32 0.00 0.00 176.35 175.13 2b94 s SER 153 N 1.73 6.47 -0.13 3.68 0.01 -0.45 -0.33 113.70 124.68 2b94 s SER 153 Ca 0.15 0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.61 2b94 s SER 153 Cb -0.16 -2.36 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 2b94 s SER 153 CO 0.12 -0.69 -0.16 -0.55 0.41 0.00 0.00 173.24 172.36 2b94 s SER 154 N 1.85 3.69 0.00 2.44 0.15 -0.37 -1.68 113.70 119.78 2b94 s SER 154 Ca 0.28 -0.42 0.20 0.00 0.70 0.00 0.00 55.95 56.71 2b94 s SER 154 Cb -0.14 -1.55 1.20 0.00 -1.71 0.00 0.00 66.02 63.83 2b94 s SER 154 CO 0.17 0.15 1.71 -0.90 1.20 0.00 0.00 173.24 175.56 2b94 n ASP 155 N 3.64 0.00 -0.04 5.45 5.75 -0.14 -4.12 116.55 127.08 2b94 n ASP 155 Ca -0.19 -1.18 -0.07 0.00 -0.01 0.00 0.00 54.79 53.35 2b94 n ASP 155 Cb 0.53 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.58 2b94 n ASP 155 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2b94 n LEU 156 N -0.85 2.40 0.21 -2.12 4.77 -1.26 -4.53 117.00 115.62 2b94 n LEU 156 Ca 0.15 -0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 2b94 n LEU 156 Cb 0.07 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 2b94 n LEU 156 CO 0.11 0.53 0.37 0.22 -1.33 0.00 0.00 177.39 177.29 2b94 h TYR 157 N -0.08 -0.53 -0.03 -1.77 3.20 -1.68 -1.17 116.97 114.92 2b94 h TYR 157 Ca -0.20 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.53 2b94 h TYR 157 Cb 1.28 0.17 0.01 0.00 1.54 0.00 0.00 36.73 39.73 2b94 h TYR 157 CO -0.00 -0.33 -0.48 1.88 -1.64 0.00 0.00 178.16 177.59 2b94 h TYR 158 N -0.74 0.54 -0.80 -3.82 0.05 -1.87 -1.43 116.97 108.91 2b94 h TYR 158 Ca -0.06 -0.27 -0.04 0.00 0.05 0.00 0.00 58.73 58.41 2b94 h TYR 158 Cb 0.43 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.07 2b94 h TYR 158 CO 0.07 1.07 0.36 -1.35 -1.05 0.00 0.00 178.16 177.25 2b94 h PRO 159 N -0.14 1.16 0.00 4.88 0.11 -1.81 -3.34 132.00 132.86 2b94 h PRO 159 Ca -0.05 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2b94 h PRO 159 Cb 1.18 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2b94 h PRO 159 CO 0.10 0.91 0.00 0.72 -0.21 0.00 0.00 178.00 179.52 2b94 n HIS 160 N -4.30 0.00 -3.18 0.65 8.25 -0.51 -5.01 115.22 111.13 2b94 n HIS 160 Ca 0.08 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.31 2b94 n HIS 160 Cb 0.16 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.32 2b94 n HIS 160 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2b94 n LYS 161 N -0.12 -5.78 -4.72 -0.41 4.76 -0.54 -4.98 118.16 106.37 2b94 n LYS 161 Ca 0.00 0.89 -0.33 0.00 -2.87 0.00 0.00 58.31 56.00 2b94 n LYS 161 Cb 0.00 -5.81 -0.13 0.00 -1.84 0.00 0.00 35.03 27.25 2b94 n LYS 161 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2b94 s ILE 162 N -3.22 3.32 -0.34 -0.18 1.01 -0.79 -4.99 121.20 116.01 2b94 s ILE 162 Ca 0.38 -0.60 -0.26 0.00 0.00 0.00 0.00 60.65 60.17 2b94 s ILE 162 Cb -0.17 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 39.95 2b94 s ILE 162 CO 0.47 0.56 0.94 -0.63 0.00 0.00 0.00 174.94 176.28 2b94 s ILE 163 N -0.24 4.60 0.34 2.92 -1.09 -1.26 -2.86 121.20 123.61 2b94 s ILE 163 Ca 0.02 1.36 -0.29 0.00 -2.23 0.00 0.00 60.65 59.51 2b94 s ILE 163 Cb -0.13 -4.32 -0.12 0.00 -1.58 0.00 0.00 42.46 36.31 2b94 s ILE 163 CO 0.03 -0.46 1.47 -2.65 -1.23 0.00 0.00 174.94 172.10 2b94 n PRO 164 N 6.69 2.53 -0.21 2.79 -0.02 -1.26 -4.89 135.00 140.62 2b94 n PRO 164 Ca 0.08 0.89 0.14 0.00 -2.02 0.00 0.00 63.50 62.59 2b94 n PRO 164 Cb 0.48 -2.60 0.45 0.00 -0.02 0.00 0.00 33.50 31.80 2b94 n PRO 164 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2b94 h THR 165 N 2.99 0.81 -0.27 3.45 2.02 -2.06 -2.27 112.91 117.59 2b94 h THR 165 Ca -0.48 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.51 2b94 h THR 165 Cb 1.25 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2b94 h THR 165 CO 0.69 0.10 0.00 0.54 0.37 0.00 0.00 175.52 177.22 2b94 n ARG 166 N -4.52 1.70 -0.08 6.66 1.74 -1.26 -4.46 116.66 116.45 2b94 n ARG 166 Ca 0.16 -1.09 -0.09 0.00 -0.77 0.00 0.00 57.85 56.06 2b94 n ARG 166 Cb 0.50 -1.28 -0.02 0.00 -1.02 0.00 0.00 32.46 30.65 2b94 n ARG 166 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2b94 h LEU 167 N 1.86 0.34 -0.48 0.55 5.85 -1.78 -0.36 115.31 121.29 2b94 h LEU 167 Ca 0.00 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2b94 h LEU 167 Cb 0.42 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2b94 h LEU 167 CO 0.00 0.26 0.22 -0.08 -0.34 0.00 0.00 178.44 178.50 2b94 h GLU 168 N 0.39 0.70 -0.67 1.25 4.57 -1.83 -1.51 114.58 117.48 2b94 h GLU 168 Ca 0.11 -0.11 0.08 0.00 -1.18 0.00 0.00 59.36 58.25 2b94 h GLU 168 Cb -0.03 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.38 2b94 h GLU 168 CO -0.02 0.60 0.34 -0.44 -1.18 0.00 0.00 179.01 178.31 2b94 h ASP 169 N 0.63 0.46 -0.12 1.04 3.32 -1.75 -1.95 116.42 118.05 2b94 h ASP 169 Ca 0.16 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 2b94 h ASP 169 Cb 0.14 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2b94 h ASP 169 CO -0.02 0.28 -0.28 1.88 -1.72 0.00 0.00 179.24 179.38 2b94 h TYR 170 N 0.60 0.68 -0.40 4.55 0.05 -0.78 -1.28 116.97 120.39 2b94 h TYR 170 Ca 0.32 -0.16 0.04 0.00 0.05 0.00 0.00 58.73 58.98 2b94 h TYR 170 Cb 0.28 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.82 2b94 h TYR 170 CO -0.10 0.81 0.16 1.03 -1.05 0.00 0.00 178.16 179.01 2b94 h SER 171 N 0.51 0.20 0.34 3.88 0.87 -0.80 -1.45 113.55 117.10 2b94 h SER 171 Ca 0.07 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2b94 h SER 171 Cb 0.75 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2b94 h SER 171 CO 0.06 0.15 -0.13 0.11 -0.53 0.00 0.00 176.83 176.48 2b94 h LYS 172 N 0.33 0.00 -0.38 2.24 1.57 -1.05 -2.12 116.57 117.16 2b94 h LYS 172 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2b94 h LYS 172 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2b94 h LYS 172 CO -0.16 0.13 0.00 0.00 -0.57 0.00 0.00 179.45 178.85 2b94 n ALA 173 N -2.32 2.57 -1.39 3.86 0.00 -0.51 -4.90 120.51 117.82 2b94 n ALA 173 Ca -0.02 -0.48 -0.08 0.00 0.00 0.00 0.00 53.44 52.87 2b94 n ALA 173 Cb 0.24 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 2b94 n ALA 173 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2b94 n ASN 174 N 0.22 -3.70 -4.72 0.00 3.02 -0.80 -5.01 115.26 104.28 2b94 n ASN 174 Ca 0.08 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.37 2b94 n ASN 174 Cb 0.29 -2.08 -0.03 0.00 -0.61 0.00 0.00 39.78 37.34 2b94 n ASN 174 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2b94 s VAL 175 N -2.30 3.26 -0.11 2.41 1.01 -0.63 -4.61 120.40 119.44 2b94 s VAL 175 Ca 0.00 0.92 -0.24 0.00 0.00 0.00 0.00 61.98 62.66 2b94 s VAL 175 Cb 0.00 -3.59 -0.20 0.00 0.00 0.00 0.00 36.38 32.59 2b94 s VAL 175 CO 0.00 0.08 0.73 0.00 0.00 0.00 0.00 175.10 175.91 2b94 h ALA 176 N 6.68 -0.03 -2.58 5.51 0.00 -1.11 -3.42 119.26 124.32 2b94 h ALA 176 Ca -0.42 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 53.92 2b94 h ALA 176 Cb 1.21 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 2b94 h ALA 176 CO 0.86 -0.07 -0.55 0.14 0.00 0.00 0.00 179.25 179.63 2b94 s VAL 177 N -2.50 0.03 -0.12 0.00 -7.23 -1.20 -0.99 120.40 108.39 2b94 s VAL 177 Ca -0.15 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 2b94 s VAL 177 Cb -0.02 -2.31 0.01 0.00 0.56 0.00 0.00 36.38 34.61 2b94 s VAL 177 CO 0.56 -0.13 -0.22 0.54 -0.31 0.00 0.00 175.10 175.55 2b94 s VAL 178 N -4.10 2.00 0.00 1.32 0.11 0.46 -0.14 120.40 120.04 2b94 s VAL 178 Ca 0.32 -0.96 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 2b94 s VAL 178 Cb 0.06 -1.75 0.00 0.00 -1.53 0.00 0.00 36.38 33.16 2b94 s VAL 178 CO 0.08 0.54 0.00 -1.84 -3.33 0.00 0.00 175.10 170.56 2b94 n GLU 179 N 3.85 0.90 -0.06 1.54 -0.00 0.56 -0.87 120.64 126.56 2b94 n GLU 179 Ca -0.20 0.00 -0.09 0.00 -0.00 0.00 0.00 57.16 56.87 2b94 n GLU 179 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.93 2b94 n GLU 179 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 2b94 n MET 180 N 0.00 0.40 -0.08 3.44 0.00 -1.26 -1.24 117.12 118.38 2b94 n MET 180 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 57.70 57.87 2b94 n MET 180 Cb 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 33.22 32.04 2b94 n MET 180 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2b94 n GLU 181 N -4.15 0.64 0.14 2.12 0.28 -1.26 -2.88 120.64 115.52 2b94 n GLU 181 Ca -0.15 -0.86 0.05 0.00 -0.16 0.00 0.00 57.16 56.04 2b94 n GLU 181 Cb 0.45 -0.64 0.50 0.00 1.43 0.00 0.00 31.44 33.18 2b94 n GLU 181 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 177.13 176.73 2b94 h VAL 182 N 2.87 1.08 -0.73 3.84 3.04 -1.95 -1.68 116.25 122.71 2b94 h VAL 182 Ca 0.00 -0.27 -0.05 0.00 -1.01 0.00 0.00 66.70 65.37 2b94 h VAL 182 Cb 0.96 0.89 -0.03 0.00 -2.01 0.00 0.00 31.29 31.10 2b94 h VAL 182 CO 0.00 0.10 0.25 0.00 -1.01 0.00 0.00 177.57 176.91 2b94 h ALA 183 N 1.82 1.06 0.05 3.17 0.00 -1.88 -0.33 119.26 123.15 2b94 h ALA 183 Ca 0.06 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2b94 h ALA 183 Cb 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2b94 h ALA 183 CO -0.00 0.65 -0.18 1.15 0.00 0.00 0.00 179.25 180.86 2b94 h THR 184 N 1.08 0.58 -0.31 0.00 2.02 -1.67 -1.40 112.91 113.21 2b94 h THR 184 Ca 0.24 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.45 2b94 h THR 184 Cb 0.26 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 2b94 h THR 184 CO -0.01 0.00 0.12 0.25 0.37 0.00 0.00 175.52 176.25 2b94 h LEU 185 N -0.31 0.15 -0.10 2.58 5.85 -1.16 -1.85 115.31 120.46 2b94 h LEU 185 Ca 0.04 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2b94 h LEU 185 Cb 0.36 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2b94 h LEU 185 CO -0.14 0.12 -0.04 0.24 -0.34 0.00 0.00 178.44 178.28 2b94 h MET 186 N 0.26 -0.03 -0.16 1.25 2.86 -0.89 -0.22 114.93 118.01 2b94 h MET 186 Ca 0.13 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2b94 h MET 186 Cb 0.09 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2b94 h MET 186 CO -0.13 -0.02 0.04 0.28 1.06 0.00 0.00 176.91 178.14 2b94 h VAL 187 N -0.03 1.20 -0.84 -2.22 2.07 -1.16 -1.07 116.25 114.21 2b94 h VAL 187 Ca 0.06 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.95 2b94 h VAL 187 Cb 0.12 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2b94 h VAL 187 CO -0.12 0.19 0.55 -0.03 0.02 0.00 0.00 177.57 178.18 2b94 h MET 188 N 0.07 1.09 -0.18 1.57 -1.53 -1.24 -1.28 114.93 113.43 2b94 h MET 188 Ca 0.05 -0.07 0.05 0.00 -3.44 0.00 0.00 59.70 56.29 2b94 h MET 188 Cb 0.26 -0.25 -0.05 0.00 -0.55 0.00 0.00 31.60 31.02 2b94 h MET 188 CO 0.00 0.72 -0.14 0.78 0.14 0.00 0.00 176.91 178.41 2b94 h GLY 189 N 1.12 -0.02 1.00 1.39 0.00 -0.80 0.11 103.07 105.87 2b94 h GLY 189 Ca 0.31 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2b94 h GLY 189 CO -0.08 -0.15 0.34 -0.84 0.00 0.00 0.00 176.54 175.82 2b94 h THR 190 N -0.15 1.14 -0.10 4.70 2.02 -0.71 0.24 112.91 120.04 2b94 h THR 190 Ca 0.11 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 2b94 h THR 190 Cb 0.32 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2b94 h THR 190 CO -0.27 0.14 -0.25 -0.07 0.37 0.00 0.00 175.52 175.44 2b94 h LEU 191 N 0.71 0.17 -2.74 2.58 3.38 -0.98 -3.08 115.31 115.35 2b94 h LEU 191 Ca 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2b94 h LEU 191 Cb -0.07 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2b94 h LEU 191 CO -0.04 0.43 0.00 0.54 0.09 0.00 0.00 178.44 179.46 2b94 n ARG 192 N -4.18 2.67 -3.67 1.13 1.74 0.37 -4.99 116.66 109.73 2b94 n ARG 192 Ca -0.01 -2.10 -0.22 0.00 -0.77 0.00 0.00 57.85 54.75 2b94 n ARG 192 Cb 0.34 -1.32 0.05 0.00 -1.02 0.00 0.00 32.46 30.51 2b94 n ARG 192 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2b94 n LYS 193 N 0.74 -5.65 -5.18 5.56 5.02 0.27 -5.01 118.16 113.92 2b94 n LYS 193 Ca 0.14 0.68 -0.32 0.00 -2.02 0.00 0.00 58.31 56.79 2b94 n LYS 193 Cb 0.45 -5.44 -0.16 0.00 -0.02 0.00 0.00 35.03 29.87 2b94 n LYS 193 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2b94 s VAL 194 N -3.51 2.29 0.01 -0.18 1.01 0.57 -5.03 120.40 115.57 2b94 s VAL 194 Ca 0.17 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 2b94 s VAL 194 Cb -0.08 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2b94 s VAL 194 CO 0.79 0.57 0.92 -0.54 0.00 0.00 0.00 175.10 176.84 2b94 s LYS 195 N -0.26 4.56 0.20 2.72 1.02 -0.31 -4.15 119.74 123.52 2b94 s LYS 195 Ca -0.00 1.31 0.04 0.00 0.02 0.00 0.00 55.97 57.34 2b94 s LYS 195 Cb -0.13 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 33.70 2b94 s LYS 195 CO 0.03 0.04 -0.04 0.95 -0.92 0.00 0.00 175.35 175.41 2b94 s THR 196 N 0.71 1.07 0.23 2.17 -4.23 -1.26 -0.64 115.64 113.70 2b94 s THR 196 Ca 0.48 -2.04 -0.21 0.00 -1.18 0.00 0.00 61.69 58.73 2b94 s THR 196 Cb -0.21 -2.17 0.06 0.00 1.34 0.00 0.00 72.50 71.52 2b94 s THR 196 CO 0.26 -0.47 0.92 -0.83 -0.54 0.00 0.00 174.62 173.96 2b94 s GLY 197 N -3.26 0.03 -0.04 3.99 0.00 -1.11 -0.96 107.32 105.98 2b94 s GLY 197 Ca 0.24 -0.27 -0.09 0.00 0.00 0.00 0.00 44.72 44.60 2b94 s GLY 197 CO 0.06 0.67 0.21 -0.32 0.00 0.00 0.00 173.10 173.72 2b94 s GLY 198 N -3.11 -0.08 -0.06 0.20 0.00 -1.26 -1.63 107.32 101.38 2b94 s GLY 198 Ca 0.16 0.27 -0.03 0.00 0.00 0.00 0.00 44.72 45.11 2b94 s GLY 198 CO 0.06 0.13 0.14 -1.50 0.00 0.00 0.00 173.10 171.93 2b94 s ILE 199 N -0.79 -0.04 0.02 0.90 2.07 -0.56 -2.83 121.20 119.96 2b94 s ILE 199 Ca -0.09 0.15 0.01 0.00 -1.41 0.00 0.00 60.65 59.31 2b94 s ILE 199 Cb -0.05 -0.22 -0.01 0.00 0.13 0.00 0.00 42.46 42.30 2b94 s ILE 199 CO 0.02 0.06 -0.04 -0.36 -1.91 0.00 0.00 174.94 172.70 2b94 s PHE 200 N 0.97 0.38 -0.14 3.50 0.08 -0.02 -1.76 117.98 121.00 2b94 s PHE 200 Ca -0.07 -0.31 -0.04 0.00 0.12 0.00 0.00 56.93 56.62 2b94 s PHE 200 Cb -0.10 -0.24 -0.03 0.00 -0.57 0.00 0.00 43.02 42.08 2b94 s PHE 200 CO -0.05 -0.08 -0.00 -1.50 -0.10 0.00 0.00 175.22 173.49 2b94 s ILE 201 N -0.84 4.23 -0.06 0.64 2.07 -0.10 -0.36 121.20 126.79 2b94 s ILE 201 Ca -0.07 -0.25 -0.30 0.00 -1.41 0.00 0.00 60.65 58.62 2b94 s ILE 201 Cb -0.06 -2.84 -0.05 0.00 0.13 0.00 0.00 42.46 39.64 2b94 s ILE 201 CO -0.00 0.53 1.57 -0.69 -1.91 0.00 0.00 174.94 174.43 2b94 s VAL 202 N -0.09 3.68 -1.59 4.00 1.01 0.16 -0.90 120.40 126.67 2b94 s VAL 202 Ca 0.04 0.87 0.17 0.00 0.00 0.00 0.00 61.98 63.06 2b94 s VAL 202 Cb -0.13 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2b94 s VAL 202 CO 0.02 -0.07 0.90 -0.90 0.00 0.00 0.00 175.10 175.05 2b94 n ASP 203 N 6.81 1.74 0.00 3.32 5.68 0.51 -0.41 116.55 134.21 2b94 n ASP 203 Ca 0.16 -1.37 0.00 0.00 -0.50 0.00 0.00 54.79 53.08 2b94 n ASP 203 Cb 0.43 0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.84 2b94 n ASP 203 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2b94 n GLY 204 N 1.17 0.62 2.90 6.12 0.00 -1.25 -4.90 105.19 109.85 2b94 n GLY 204 Ca 0.07 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 2b94 n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b94 h PRO 206 N 6.99 0.09 -0.00 0.00 0.13 -1.90 -2.08 132.00 135.22 2b94 h PRO 206 Ca -0.06 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2b94 h PRO 206 Cb 0.94 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2b94 h PRO 206 CO 0.58 0.06 -0.11 1.28 -0.23 0.00 0.00 178.00 179.59 2b94 n LEU 207 N -4.52 0.28 -0.34 1.56 4.77 -1.26 -2.15 117.00 115.34 2b94 n LEU 207 Ca -0.02 0.15 0.13 0.00 -0.03 0.00 0.00 56.01 56.24 2b94 n LEU 207 Cb 0.09 -0.27 0.30 0.00 -2.33 0.00 0.00 43.42 41.21 2b94 n LEU 207 CO 0.34 0.06 0.59 0.29 -1.33 0.00 0.00 177.39 177.34 2b94 n LYS 208 N -1.18 1.02 -2.84 3.23 5.02 -0.79 -5.18 118.16 117.45 2b94 n LYS 208 Ca 0.12 -0.68 -0.06 0.00 -2.02 0.00 0.00 58.31 55.67 2b94 n LYS 208 Cb 0.29 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.82 2b94 n LYS 208 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2b94 n TRP 209 N -0.40 -3.27 -2.19 2.13 5.03 -0.91 -5.10 117.44 112.74 2b94 n TRP 209 Ca 0.12 1.31 -0.01 0.00 3.03 0.00 0.00 57.50 61.95 2b94 n TRP 209 Cb 0.38 -4.01 -0.01 0.00 -1.03 0.00 0.00 31.31 26.65 2b94 n TRP 209 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 2b94 n ASN 217 N -0.60 -6.98 -4.90 -0.99 5.03 -1.26 -4.87 115.26 100.69 2b94 n ASN 217 Ca 0.09 1.49 -0.21 0.00 0.87 0.00 0.00 54.58 56.83 2b94 n ASN 217 Cb 0.45 -4.56 -0.03 0.00 -1.02 0.00 0.00 39.78 34.63 2b94 n ASN 217 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2b94 s LEU 218 N -0.51 3.91 -0.21 3.41 1.43 -1.26 -5.04 118.68 120.41 2b94 s LEU 218 Ca -0.04 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 2b94 s LEU 218 Cb 0.00 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 2b94 s LEU 218 CO 0.12 -0.21 1.44 -0.69 0.23 0.00 0.00 176.35 177.24 2b94 s VAL 219 N -2.15 3.95 0.26 -1.59 1.01 -1.26 -4.93 120.40 115.70 2b94 s VAL 219 Ca 0.38 1.11 -0.03 0.00 0.00 0.00 0.00 61.98 63.44 2b94 s VAL 219 Cb -0.08 -3.87 0.30 0.00 0.00 0.00 0.00 36.38 32.73 2b94 s VAL 219 CO 0.28 -0.27 1.64 -0.65 0.00 0.00 0.00 175.10 176.09 2b94 h PRO 220 N 9.52 0.14 -0.35 2.72 0.11 -1.99 -0.70 132.00 141.44 2b94 h PRO 220 Ca -0.30 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.70 2b94 h PRO 220 Cb 1.13 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2b94 h PRO 220 CO 1.00 0.09 -0.16 0.93 -0.21 0.00 0.00 178.00 179.65 2b94 h GLU 221 N 0.14 0.73 -0.26 1.05 3.07 -1.99 -1.18 114.58 116.14 2b94 h GLU 221 Ca 0.47 -0.32 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 2b94 h GLU 221 Cb 0.89 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 2b94 h GLU 221 CO -0.67 0.92 0.12 0.87 -1.40 0.00 0.00 179.01 178.85 2b94 h LYS 222 N 0.52 0.38 -0.67 2.33 6.56 -1.70 -0.74 116.57 123.25 2b94 h LYS 222 Ca 0.08 -0.06 0.02 0.00 -1.06 0.00 0.00 60.65 59.63 2b94 h LYS 222 Cb 0.70 -0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 32.25 2b94 h LYS 222 CO 0.05 0.39 0.42 1.25 -2.06 0.00 0.00 179.45 179.50 2b94 h LEU 223 N 0.28 0.71 -0.99 2.94 5.85 -1.12 -2.12 115.31 120.85 2b94 h LEU 223 Ca 0.09 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2b94 h LEU 223 Cb 0.14 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 2b94 h LEU 223 CO -0.01 0.49 0.66 -0.33 -0.34 0.00 0.00 178.44 178.91 2b94 h GLU 224 N 0.84 1.30 -0.20 1.25 3.07 -0.91 -1.34 114.58 118.59 2b94 h GLU 224 Ca 0.26 -0.08 0.01 0.00 -0.50 0.00 0.00 59.36 59.05 2b94 h GLU 224 Cb -0.01 -0.29 -0.01 0.00 -0.84 0.00 0.00 28.75 27.60 2b94 h GLU 224 CO -0.09 0.86 0.11 -0.91 -1.40 0.00 0.00 179.01 177.58 2b94 h ASN 225 N 1.34 0.19 -0.47 1.42 2.35 -0.76 0.12 115.58 119.76 2b94 h ASN 225 Ca 0.37 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.13 2b94 h ASN 225 Cb -0.14 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 2b94 h ASN 225 CO -0.09 0.14 0.30 -0.03 -1.65 0.00 0.00 177.43 176.10 2b94 h MET 226 N 0.24 0.59 -0.57 0.81 4.05 -1.01 -0.56 114.93 118.48 2b94 h MET 226 Ca 0.08 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 2b94 h MET 226 Cb -0.01 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.63 2b94 h MET 226 CO -0.03 0.39 0.29 0.82 0.23 0.00 0.00 176.91 178.61 2b94 h ILE 227 N 0.61 1.20 -0.79 1.77 2.04 -1.04 -1.89 117.51 119.41 2b94 h ILE 227 Ca 0.18 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2b94 h ILE 227 Cb -0.04 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 2b94 h ILE 227 CO -0.06 0.22 0.47 0.11 0.00 0.00 0.00 178.15 178.90 2b94 h LYS 228 N 0.78 1.07 -0.39 2.37 1.57 -0.28 0.40 116.57 122.08 2b94 h LYS 228 Ca 0.20 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2b94 h LYS 228 Cb 0.09 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 2b94 h LYS 228 CO -0.03 0.76 0.21 0.82 -0.57 0.00 0.00 179.45 180.64 2b94 h ILE 229 N 1.08 1.00 -0.24 1.86 2.04 -0.91 0.40 117.51 122.75 2b94 h ILE 229 Ca 0.28 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 66.02 2b94 h ILE 229 Cb -0.03 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2b94 h ILE 229 CO -0.05 0.08 0.09 0.28 0.00 0.00 0.00 178.15 178.55 2b94 h SER 230 N 0.43 0.11 -0.13 1.72 0.02 -0.62 0.43 113.55 115.50 2b94 h SER 230 Ca 0.16 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2b94 h SER 230 Cb 0.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2b94 h SER 230 CO -0.10 0.10 0.00 -0.07 -1.14 0.00 0.00 176.83 175.62 2b94 h LEU 231 N 0.20 0.23 -0.65 5.07 3.38 -0.71 -0.20 115.31 122.64 2b94 h LEU 231 Ca 0.10 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2b94 h LEU 231 Cb 0.06 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2b94 h LEU 231 CO -0.10 0.47 0.42 -0.33 0.09 0.00 0.00 178.44 179.00 2b94 h GLU 232 N -0.02 0.87 -0.34 1.13 5.08 -0.85 -0.66 114.58 119.79 2b94 h GLU 232 Ca 0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2b94 h GLU 232 Cb 0.35 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2b94 h GLU 232 CO 0.01 0.59 0.17 1.15 -1.00 0.00 0.00 179.01 179.93 2b94 h THR 233 N 0.89 1.16 -0.65 1.13 2.02 -0.81 -1.53 112.91 115.11 2b94 h THR 233 Ca 0.24 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 67.00 2b94 h THR 233 Cb -0.08 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2b94 h THR 233 CO -0.05 0.17 0.40 0.00 0.37 0.00 0.00 175.52 176.41 2b94 h ALA 235 N 1.28 0.43 -0.56 0.00 0.00 -0.89 -0.00 119.26 119.52 2b94 h ALA 235 Ca 0.26 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2b94 h ALA 235 Cb 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2b94 h ALA 235 CO -0.11 -0.21 0.26 0.00 0.00 0.00 0.00 179.25 179.20 2b94 h ARG 236 N 0.34 0.81 -0.31 0.00 3.08 -0.85 -2.68 114.38 114.77 2b94 h ARG 236 Ca 0.15 -0.12 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 2b94 h ARG 236 Cb 0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2b94 h ARG 236 CO -0.12 0.67 -0.39 -0.07 -1.07 0.00 0.00 179.97 178.99 2b94 h LEU 237 N 0.76 0.78 -1.47 3.04 3.38 -1.10 -2.98 115.31 117.72 2b94 h LEU 237 Ca 0.19 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.90 2b94 h LEU 237 Cb 0.13 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2b94 h LEU 237 CO -0.02 1.08 0.46 0.00 0.09 0.00 0.00 178.44 180.04 2b94 h ALA 238 N 0.96 1.83 -0.30 1.53 0.00 -0.75 -1.05 119.26 121.48 2b94 h ALA 238 Ca 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2b94 h ALA 238 Cb 0.93 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2b94 h ALA 238 CO 0.08 0.04 0.20 0.87 0.00 0.00 0.00 179.25 180.44 2b94 h LYS 239 N 0.62 0.31 0.00 0.00 1.57 -1.32 -2.43 116.57 115.32 2b94 h LYS 239 Ca 0.31 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2b94 h LYS 239 Cb 0.41 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2b94 h LYS 239 CO -0.10 0.20 0.00 0.87 -0.57 0.00 0.00 179.45 179.85 2b94 h LYS 240 N 0.32 0.00 -0.00 3.15 6.56 -1.29 -3.53 116.57 121.78 2b94 h LYS 240 Ca 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 2b94 h LYS 240 Cb 0.10 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.76 2b94 h LYS 240 CO -0.03 0.00 0.00 0.66 -2.06 0.00 0.00 179.45 178.02