#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tn0 n GLY 6 N 0.00 1.25 3.61 3.41 0.00 -1.26 -5.05 105.19 107.15 1tn0 n GLY 6 Ca 0.00 -0.40 -0.46 0.00 0.00 0.00 0.00 46.02 45.16 1tn0 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tn0 n ARG 7 N -0.98 1.46 -0.32 1.61 1.74 -1.26 -4.86 116.66 114.05 1tn0 n ARG 7 Ca 0.00 0.52 0.32 0.00 -0.77 0.00 0.00 57.85 57.91 1tn0 n ARG 7 Cb 0.23 -2.00 0.58 0.00 -1.02 0.00 0.00 32.46 30.25 1tn0 n ARG 7 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1tn0 n PRO 8 N 1.35 -0.06 -0.06 5.56 -0.02 -1.26 -0.59 135.00 139.91 1tn0 n PRO 8 Ca 0.12 1.35 0.08 0.00 -2.02 0.00 0.00 63.50 63.03 1tn0 n PRO 8 Cb 0.29 -2.44 0.35 0.00 -0.02 0.00 0.00 33.50 31.69 1tn0 n PRO 8 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1tn0 n GLU 9 N -5.21 1.45 0.14 -0.52 0.00 -1.26 -3.79 120.64 111.45 1tn0 n GLU 9 Ca 0.37 -0.69 0.02 0.00 0.00 0.00 0.00 57.16 56.86 1tn0 n GLU 9 Cb 1.27 -1.30 0.37 0.00 0.00 0.00 0.00 31.44 31.78 1tn0 n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1tn0 h TRP 10 N 1.31 0.16 -0.71 -1.84 5.08 -1.18 -1.00 115.95 117.78 1tn0 h TRP 10 Ca 0.00 -0.03 0.01 0.00 1.08 0.00 0.00 58.89 59.95 1tn0 h TRP 10 Cb 0.29 -0.04 -0.04 0.00 -3.00 0.00 0.00 29.16 26.37 1tn0 h TRP 10 CO 0.08 0.38 0.47 0.97 -1.28 0.00 0.00 178.44 179.07 1tn0 h ILE 11 N 0.14 1.18 0.00 0.12 6.09 -1.78 0.23 117.51 123.49 1tn0 h ILE 11 Ca 0.02 -0.34 -0.14 0.00 -1.37 0.00 0.00 64.86 63.04 1tn0 h ILE 11 Cb 0.50 0.14 -0.02 0.00 0.47 0.00 0.00 36.82 37.91 1tn0 h ILE 11 CO 0.03 0.18 -0.65 -0.50 -3.07 0.00 0.00 178.15 174.14 1tn0 h TRP 12 N 0.96 0.00 -0.06 2.19 -0.00 -1.47 -2.21 115.95 115.36 1tn0 h TRP 12 Ca 0.26 0.00 -0.16 0.00 -0.00 0.00 0.00 58.89 58.99 1tn0 h TRP 12 Cb -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.04 1tn0 h TRP 12 CO 0.00 0.65 -0.66 -0.07 -0.00 0.00 0.00 178.44 178.36 1tn0 h LEU 13 N 0.00 0.30 -0.75 -4.49 -0.00 -0.44 -1.97 115.31 107.96 1tn0 h LEU 13 Ca -0.01 -0.18 -0.12 0.00 -0.00 0.00 0.00 57.88 57.57 1tn0 h LEU 13 Cb 1.19 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.75 1tn0 h LEU 13 CO 0.08 0.88 -0.30 0.00 -0.00 0.00 0.00 178.44 179.09 1tn0 h ALA 14 N 1.12 0.93 0.00 1.53 0.00 -0.33 -1.73 119.26 120.78 1tn0 h ALA 14 Ca -0.01 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 1tn0 h ALA 14 Cb 1.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1tn0 h ALA 14 CO 0.10 0.62 -0.70 -0.07 0.00 0.00 0.00 179.25 179.20 1tn0 h LEU 15 N 0.52 0.00 -0.13 0.00 3.38 -1.28 -2.81 115.31 114.99 1tn0 h LEU 15 Ca 0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1tn0 h LEU 15 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1tn0 h LEU 15 CO 0.06 0.70 -0.34 1.23 0.09 0.00 0.00 178.44 180.18 1tn0 h GLY 16 N 2.72 0.50 0.98 0.83 0.00 -1.14 -1.47 103.07 105.50 1tn0 h GLY 16 Ca -0.01 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1tn0 h GLY 16 CO 0.09 0.57 0.25 -0.84 0.00 0.00 0.00 176.54 176.61 1tn0 h THR 17 N 0.06 1.14 0.11 4.70 2.02 -1.39 -2.18 112.91 117.36 1tn0 h THR 17 Ca -0.01 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1tn0 h THR 17 Cb 0.95 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1tn0 h THR 17 CO 0.07 0.14 -0.05 0.00 0.37 0.00 0.00 175.52 176.05 1tn0 h ALA 18 N 1.11 -0.15 -0.63 6.16 0.00 -1.47 -1.01 119.26 123.27 1tn0 h ALA 18 Ca 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1tn0 h ALA 18 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1tn0 h ALA 18 CO -0.03 -0.55 0.24 -0.07 0.00 0.00 0.00 179.25 178.84 1tn0 h LEU 19 N -0.21 0.89 -1.27 0.00 3.38 -1.25 -2.36 115.31 114.49 1tn0 h LEU 19 Ca -0.02 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1tn0 h LEU 19 Cb 0.17 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1tn0 h LEU 19 CO 0.02 0.83 -0.32 0.24 0.09 0.00 0.00 178.44 179.30 1tn0 h MET 20 N 0.89 0.08 -0.13 1.13 2.86 -1.36 -1.80 114.93 116.60 1tn0 h MET 20 Ca 0.21 -0.03 -0.19 0.00 -2.06 0.00 0.00 59.70 57.63 1tn0 h MET 20 Cb 0.22 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1tn0 h MET 20 CO -0.01 0.39 -0.70 0.78 1.06 0.00 0.00 176.91 178.43 1tn0 h GLY 21 N 1.01 0.62 0.53 8.32 0.00 -0.88 -2.35 103.07 110.33 1tn0 h GLY 21 Ca 0.01 -0.84 -0.00 0.00 0.00 0.00 0.00 47.33 46.49 1tn0 h GLY 21 CO 0.04 0.75 -0.04 1.41 0.00 0.00 0.00 176.54 178.70 1tn0 h LEU 22 N 0.40 -0.10 -0.95 3.11 3.38 -1.18 -2.91 115.31 117.07 1tn0 h LEU 22 Ca -0.03 -0.39 0.14 0.00 0.09 0.00 0.00 57.88 57.70 1tn0 h LEU 22 Cb 1.29 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.97 1tn0 h LEU 22 CO 0.13 0.36 0.56 1.23 0.09 0.00 0.00 178.44 180.81 1tn0 h GLY 23 N -0.59 1.59 0.65 0.83 0.00 -1.40 -1.45 103.07 102.71 1tn0 h GLY 23 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1tn0 h GLY 23 CO 0.02 0.05 -0.31 -0.84 0.00 0.00 0.00 176.54 175.46 1tn0 h THR 24 N 0.82 0.35 -0.88 4.70 2.02 -1.40 -1.58 112.91 116.95 1tn0 h THR 24 Ca 0.50 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.66 1tn0 h THR 24 Cb 0.63 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1tn0 h THR 24 CO -0.32 0.00 0.46 -0.07 0.37 0.00 0.00 175.52 175.96 1tn0 h LEU 25 N -0.65 1.12 -0.58 2.58 3.38 -1.21 0.38 115.31 120.34 1tn0 h LEU 25 Ca -0.01 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1tn0 h LEU 25 Cb 0.59 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1tn0 h LEU 25 CO -0.07 0.92 0.04 0.22 0.09 0.00 0.00 178.44 179.64 1tn0 h TYR 26 N 1.24 1.08 -0.24 1.13 3.20 -1.20 0.66 116.97 122.85 1tn0 h TYR 26 Ca 0.31 -0.17 -0.18 0.00 3.14 0.00 0.00 58.73 61.82 1tn0 h TYR 26 Cb 0.07 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 1tn0 h TYR 26 CO 0.01 0.96 -0.58 0.74 -1.64 0.00 0.00 178.16 177.65 1tn0 h PHE 27 N 0.90 0.96 0.28 -3.82 0.04 -1.02 -1.14 116.94 113.14 1tn0 h PHE 27 Ca 0.17 -0.35 -0.01 0.00 2.80 0.00 0.00 57.97 60.57 1tn0 h PHE 27 Cb 0.50 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1tn0 h PHE 27 CO 0.04 1.16 -0.14 1.25 -0.60 0.00 0.00 178.31 180.01 1tn0 h LEU 28 N 0.58 -0.34 -0.14 1.54 6.46 -0.77 0.38 115.31 123.02 1tn0 h LEU 28 Ca 0.00 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.81 1tn0 h LEU 28 Cb 1.17 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 41.16 1tn0 h LEU 28 CO 0.12 -0.24 -0.03 0.58 -0.62 0.00 0.00 178.44 178.25 1tn0 h VAL 29 N -0.39 0.87 -0.36 1.05 2.07 -0.83 -1.74 116.25 116.91 1tn0 h VAL 29 Ca -0.04 -0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 1tn0 h VAL 29 Cb 0.30 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1tn0 h VAL 29 CO 0.06 0.00 -0.18 0.50 0.02 0.00 0.00 177.57 177.97 1tn0 h LYS 30 N 0.00 0.68 0.00 1.57 3.64 -1.15 -3.21 116.57 118.10 1tn0 h LYS 30 Ca 0.07 -0.24 -0.10 0.00 -1.27 0.00 0.00 60.65 59.10 1tn0 h LYS 30 Cb 0.10 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1tn0 h LYS 30 CO -0.14 0.81 -0.49 0.78 -2.27 0.00 0.00 179.45 178.15 1tn0 h GLY 31 N 0.98 0.00 -2.56 5.01 0.00 0.09 -3.21 103.07 103.38 1tn0 h GLY 31 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1tn0 h GLY 31 CO 0.05 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.62 1tn0 n MET 32 N -3.51 3.18 -0.12 4.80 2.81 -0.68 -3.41 117.12 120.19 1tn0 n MET 32 Ca -0.00 -2.27 0.06 0.00 -1.81 0.00 0.00 57.70 53.68 1tn0 n MET 32 Cb 0.60 -1.77 0.08 0.00 -0.71 0.00 0.00 33.22 31.42 1tn0 n MET 32 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1tn0 n GLY 33 N 0.97 3.44 3.37 3.03 0.00 -1.21 -4.99 105.19 109.79 1tn0 n GLY 33 Ca 0.21 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 1tn0 n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tn0 s VAL 34 N -1.92 3.23 -0.38 1.61 1.01 -1.22 -5.01 120.40 117.72 1tn0 s VAL 34 Ca 0.19 -0.58 0.21 0.00 0.00 0.00 0.00 61.98 61.80 1tn0 s VAL 34 Cb 0.17 -2.39 -0.28 0.00 0.00 0.00 0.00 36.38 33.87 1tn0 s VAL 34 CO 0.02 0.50 0.61 -1.54 0.00 0.00 0.00 175.10 174.69 1tn0 n SER 35 N 3.83 0.52 -4.73 3.32 3.41 -1.26 -4.85 113.62 113.86 1tn0 n SER 35 Ca -0.18 -0.37 -0.42 0.00 -0.26 0.00 0.00 58.87 57.64 1tn0 n SER 35 Cb 0.52 1.59 -0.03 0.00 -0.26 0.00 0.00 64.21 66.03 1tn0 n SER 35 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1tn0 s ASP 36 N -3.82 6.63 0.29 4.04 2.15 -1.26 -4.93 116.67 119.76 1tn0 s ASP 36 Ca -0.02 2.63 -0.01 0.00 0.43 0.00 0.00 52.55 55.58 1tn0 s ASP 36 Cb 0.14 -2.61 0.43 0.00 -0.30 0.00 0.00 42.92 40.58 1tn0 s ASP 36 CO 0.85 -0.76 1.86 -0.65 -0.17 0.00 0.00 175.17 176.30 1tn0 h PRO 37 N 5.98 0.86 0.20 4.34 0.11 -1.98 1.00 132.00 142.51 1tn0 h PRO 37 Ca -0.44 -0.15 -0.31 0.00 0.11 0.00 0.00 66.00 65.21 1tn0 h PRO 37 Cb 1.21 -0.14 0.02 0.00 0.11 0.00 0.00 31.00 32.20 1tn0 h PRO 37 CO 0.85 0.72 -1.40 -0.44 -0.21 0.00 0.00 178.00 177.52 1tn0 h ASP 38 N 0.84 0.66 -0.87 -2.05 3.32 -1.92 -2.68 116.42 113.73 1tn0 h ASP 38 Ca 0.20 -0.72 0.03 0.00 0.02 0.00 0.00 57.03 56.55 1tn0 h ASP 38 Cb 0.20 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1tn0 h ASP 38 CO -0.01 1.57 0.56 0.00 -1.72 0.00 0.00 179.24 179.64 1tn0 h ALA 39 N 0.33 1.14 -1.01 3.45 0.00 -1.51 -1.10 119.26 120.57 1tn0 h ALA 39 Ca -0.21 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.72 1tn0 h ALA 39 Cb 2.09 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 19.50 1tn0 h ALA 39 CO 0.24 0.42 0.65 0.87 0.00 0.00 0.00 179.25 181.44 1tn0 h LYS 40 N 1.10 1.16 0.54 0.00 1.79 -0.74 0.41 116.57 120.85 1tn0 h LYS 40 Ca 0.34 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.71 1tn0 h LYS 40 Cb -0.02 -0.26 0.01 0.00 -1.58 0.00 0.00 32.23 30.37 1tn0 h LYS 40 CO -0.11 0.77 -0.26 -0.22 -1.08 0.00 0.00 179.45 178.55 1tn0 h LYS 41 N 1.20 -0.70 -0.65 3.15 3.64 -0.87 0.22 116.57 122.57 1tn0 h LYS 41 Ca 0.43 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.83 1tn0 h LYS 41 Cb 0.14 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1tn0 h LYS 41 CO -0.16 -0.45 0.28 0.74 -2.27 0.00 0.00 179.45 177.58 1tn0 h PHE 42 N -0.77 0.93 -0.44 1.91 0.04 -1.20 -2.14 116.94 115.28 1tn0 h PHE 42 Ca -0.07 -0.05 -0.11 0.00 2.80 0.00 0.00 57.97 60.53 1tn0 h PHE 42 Cb 0.58 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1tn0 h PHE 42 CO -0.03 0.70 -0.17 1.88 -0.60 0.00 0.00 178.31 180.09 1tn0 h TYR 43 N 0.92 1.02 -0.21 -0.55 0.05 -0.72 -1.34 116.97 116.14 1tn0 h TYR 43 Ca 0.22 -0.24 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1tn0 h TYR 43 Cb 0.14 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 1tn0 h TYR 43 CO 0.01 1.02 0.10 0.00 -1.05 0.00 0.00 178.16 178.24 1tn0 h ALA 44 N 0.85 0.28 0.65 3.88 0.00 -0.71 -1.47 119.26 122.73 1tn0 h ALA 44 Ca 0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1tn0 h ALA 44 Cb 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1tn0 h ALA 44 CO 0.06 -0.15 -0.34 0.82 0.00 0.00 0.00 179.25 179.64 1tn0 h ILE 45 N 0.20 0.30 -0.29 0.00 2.04 -1.34 -2.95 117.51 115.48 1tn0 h ILE 45 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1tn0 h ILE 45 Cb 0.14 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1tn0 h ILE 45 CO -0.01 0.00 0.19 0.74 0.00 0.00 0.00 178.15 179.07 1tn0 h THR 46 N -0.91 1.08 0.00 -0.27 2.02 -1.25 -2.59 112.91 111.00 1tn0 h THR 46 Ca -0.08 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1tn0 h THR 46 Cb 0.71 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1tn0 h THR 46 CO 0.12 0.08 0.00 0.74 0.37 0.00 0.00 175.52 176.83 1tn0 h THR 47 N 0.39 0.00 0.08 3.16 2.02 -1.30 -1.35 112.91 115.91 1tn0 h THR 47 Ca 0.11 -0.07 -0.26 0.00 0.77 0.00 0.00 66.41 66.96 1tn0 h THR 47 Cb -0.04 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1tn0 h THR 47 CO -0.02 0.00 -1.20 0.25 0.37 0.00 0.00 175.52 174.92 1tn0 h LEU 48 N 0.00 0.26 0.39 2.58 5.85 -1.28 -3.36 115.31 119.75 1tn0 h LEU 48 Ca 0.00 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1tn0 h LEU 48 Cb 0.08 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1tn0 h LEU 48 CO 0.00 1.23 -0.23 0.58 -0.34 0.00 0.00 178.44 179.68 1tn0 h VAL 49 N 0.05 0.51 -0.46 1.05 2.07 -1.15 -3.20 116.25 115.12 1tn0 h VAL 49 Ca -0.11 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1tn0 h VAL 49 Cb 1.91 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1tn0 h VAL 49 CO 0.17 0.00 0.04 1.55 0.02 0.00 0.00 177.57 179.35 1tn0 h PRO 50 N -0.60 0.72 -0.75 1.57 0.13 -1.72 -3.05 132.00 128.31 1tn0 h PRO 50 Ca -0.04 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 1tn0 h PRO 50 Cb 0.49 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.48 1tn0 h PRO 50 CO 0.05 0.71 0.41 -1.00 -0.23 0.00 0.00 178.00 177.94 1tn0 h PRO 51 N 0.69 1.04 -0.56 1.56 0.13 -1.71 -0.32 132.00 132.83 1tn0 h PRO 51 Ca 0.14 -0.12 0.08 0.00 -0.87 0.00 0.00 66.00 65.23 1tn0 h PRO 51 Cb 0.37 -0.20 -0.06 0.00 0.13 0.00 0.00 31.00 31.23 1tn0 h PRO 51 CO 0.01 0.77 0.21 0.82 -0.23 0.00 0.00 178.00 179.59 1tn0 h ILE 52 N 1.03 0.81 -0.23 -3.56 2.04 -1.54 -0.41 117.51 115.65 1tn0 h ILE 52 Ca 0.26 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.90 1tn0 h ILE 52 Cb 0.04 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1tn0 h ILE 52 CO -0.04 0.07 -0.22 0.00 0.00 0.00 0.00 178.15 177.96 1tn0 h ALA 53 N 1.37 1.18 0.14 1.87 0.00 -1.37 -2.83 119.26 119.62 1tn0 h ALA 53 Ca 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1tn0 h ALA 53 Cb 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1tn0 h ALA 53 CO -0.27 0.52 -0.07 0.35 0.00 0.00 0.00 179.25 179.79 1tn0 h PHE 54 N 0.39 -0.17 -0.59 0.00 3.57 0.36 -0.85 116.94 119.64 1tn0 h PHE 54 Ca 0.06 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 1tn0 h PHE 54 Cb 0.61 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1tn0 h PHE 54 CO 0.02 0.00 0.10 1.79 -2.23 0.00 0.00 178.31 177.98 1tn0 h THR 55 N -0.32 1.26 0.00 4.41 1.35 -1.12 0.22 112.91 118.70 1tn0 h THR 55 Ca -0.02 -0.99 -0.05 0.00 -0.55 0.00 0.00 66.41 64.80 1tn0 h THR 55 Cb 0.25 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 1tn0 h THR 55 CO 0.03 0.36 -0.22 0.24 -0.25 0.00 0.00 175.52 175.68 1tn0 h MET 56 N 0.88 0.00 0.07 4.72 2.86 -1.45 -0.78 114.93 121.24 1tn0 h MET 56 Ca 0.18 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.55 1tn0 h MET 56 Cb 0.42 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.10 1tn0 h MET 56 CO 0.01 0.22 -1.12 1.88 1.06 0.00 0.00 176.91 178.96 1tn0 h TYR 57 N 0.00 0.80 0.63 -0.22 0.05 -0.64 -3.10 116.97 114.48 1tn0 h TYR 57 Ca -0.00 -0.48 -0.03 0.00 0.05 0.00 0.00 58.73 58.26 1tn0 h TYR 57 Cb 0.46 -0.07 0.01 0.00 1.01 0.00 0.00 36.73 38.14 1tn0 h TYR 57 CO 0.00 1.33 -0.30 1.25 -1.05 0.00 0.00 178.16 179.38 1tn0 h LEU 58 N 0.24 -0.72 -0.75 3.88 6.46 -0.34 -0.21 115.31 123.88 1tn0 h LEU 58 Ca -0.14 0.03 0.15 0.00 -0.12 0.00 0.00 57.88 57.80 1tn0 h LEU 58 Cb 1.79 0.19 -0.10 0.00 -0.73 0.00 0.00 40.66 41.80 1tn0 h LEU 58 CO 0.20 -0.51 0.25 0.28 -0.62 0.00 0.00 178.44 178.04 1tn0 h SER 59 N -0.85 0.17 -0.28 1.25 0.02 -1.27 0.49 113.55 113.08 1tn0 h SER 59 Ca -0.09 0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1tn0 h SER 59 Cb 0.65 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1tn0 h SER 59 CO 0.14 0.04 0.02 0.24 -1.14 0.00 0.00 176.83 176.13 1tn0 h MET 60 N 0.37 0.48 -0.34 3.45 2.86 -1.44 0.64 114.93 120.95 1tn0 h MET 60 Ca 0.42 -0.14 0.05 0.00 -2.06 0.00 0.00 59.70 57.97 1tn0 h MET 60 Cb 0.69 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 1tn0 h MET 60 CO -0.45 0.61 0.08 1.25 1.06 0.00 0.00 176.91 179.46 1tn0 h LEU 61 N 0.28 0.04 0.00 1.22 5.85 0.21 -0.93 115.31 121.98 1tn0 h LEU 61 Ca 0.08 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1tn0 h LEU 61 Cb 0.38 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1tn0 h LEU 61 CO 0.01 0.06 0.00 0.18 -0.34 0.00 0.00 178.44 178.35 1tn0 n LEU 62 N -5.07 0.00 0.00 2.25 4.77 0.16 -4.90 117.00 114.21 1tn0 n LEU 62 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1tn0 n LEU 62 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1tn0 n LEU 62 CO 0.26 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1tn0 n GLY 63 N 0.55 0.75 4.01 -0.72 0.00 0.68 -5.01 105.19 105.46 1tn0 n GLY 63 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1tn0 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tn0 s TYR 64 N -2.00 1.32 -1.67 1.61 1.51 0.19 -4.66 117.35 113.64 1tn0 s TYR 64 Ca 0.00 -0.79 -0.01 0.00 -1.01 0.00 0.00 57.07 55.26 1tn0 s TYR 64 Cb 0.00 -2.12 0.00 0.00 -0.11 0.00 0.00 41.96 39.73 1tn0 s TYR 64 CO 0.00 -1.06 0.17 0.41 -1.11 0.00 0.00 175.55 173.96 1tn0 n GLY 65 N -2.17 -0.51 3.01 0.71 0.00 -1.26 -3.88 105.19 101.09 1tn0 n GLY 65 Ca 0.12 0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1tn0 n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1tn0 s LEU 66 N -6.20 1.84 -0.02 0.99 2.96 -1.26 -1.27 118.68 115.72 1tn0 s LEU 66 Ca 0.09 -0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 53.75 1tn0 s LEU 66 Cb -0.04 -0.54 0.01 0.00 0.50 0.00 0.00 46.19 46.12 1tn0 s LEU 66 CO 0.11 0.08 0.14 0.28 -1.32 0.00 0.00 176.35 175.64 1tn0 s THR 67 N 0.10 0.06 -0.36 3.68 -1.32 -0.32 -4.95 115.64 112.53 1tn0 s THR 67 Ca -0.02 -0.49 -0.19 0.00 -1.21 0.00 0.00 61.69 59.79 1tn0 s THR 67 Cb -0.07 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.55 1tn0 s THR 67 CO 0.00 -0.27 0.53 -0.04 -2.21 0.00 0.00 174.62 172.64 1tn0 s MET 68 N -0.95 3.56 -0.18 7.08 1.00 -1.25 -0.07 119.30 128.48 1tn0 s MET 68 Ca -0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 55.69 55.34 1tn0 s MET 68 Cb -0.06 -3.83 -0.02 0.00 0.00 0.00 0.00 34.83 30.91 1tn0 s MET 68 CO 0.01 -0.71 -0.02 0.08 0.00 0.00 0.00 175.02 174.39 1tn0 s VAL 69 N 2.45 3.91 0.07 -6.03 1.01 0.41 -4.79 120.40 117.43 1tn0 s VAL 69 Ca 0.19 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1tn0 s VAL 69 Cb -0.15 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1tn0 s VAL 69 CO 0.14 0.45 1.01 -2.16 0.00 0.00 0.00 175.10 174.55 1tn0 s PRO 70 N 0.78 4.60 0.00 2.72 0.04 -1.26 0.10 135.00 141.98 1tn0 s PRO 70 Ca -0.00 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1tn0 s PRO 70 Cb -0.14 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1tn0 s PRO 70 CO 0.02 0.04 0.00 1.97 0.04 0.00 0.00 177.00 179.07 1tn0 n PHE 71 N 3.32 0.00 -1.12 0.56 1.16 -0.69 -4.51 117.46 116.18 1tn0 n PHE 71 Ca 0.05 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.58 1tn0 n PHE 71 Cb 0.49 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.34 1tn0 n PHE 71 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1tn0 n GLY 72 N -0.26 0.68 2.25 4.97 0.00 -1.26 -2.38 105.19 109.19 1tn0 n GLY 72 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1tn0 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tn0 n GLY 73 N -1.90 1.60 3.60 -0.02 0.00 -1.26 -5.01 105.19 102.20 1tn0 n GLY 73 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1tn0 n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tn0 s GLU 74 N -0.25 2.05 -0.59 1.61 0.41 -1.00 -5.08 118.70 115.85 1tn0 s GLU 74 Ca 0.00 -1.66 -0.16 0.00 -0.41 0.00 0.00 54.97 52.74 1tn0 s GLU 74 Cb 0.00 -1.96 0.14 0.00 -1.78 0.00 0.00 34.13 30.54 1tn0 s GLU 74 CO 0.00 0.24 0.56 -1.14 -0.49 0.00 0.00 175.26 174.43 1tn0 s GLN 75 N -3.66 3.10 0.04 1.61 2.00 -1.26 -1.70 119.66 119.78 1tn0 s GLN 75 Ca 0.33 -1.82 -0.15 0.00 -2.00 0.00 0.00 55.36 51.71 1tn0 s GLN 75 Cb -0.03 -4.32 -0.06 0.00 0.80 0.00 0.00 33.01 29.40 1tn0 s GLN 75 CO 0.19 -1.33 0.45 -0.80 -0.50 0.00 0.00 175.29 173.30 1tn0 s ASN 76 N 3.35 6.85 -0.51 6.67 -0.87 0.12 -4.78 114.94 125.77 1tn0 s ASN 76 Ca 0.06 1.02 -0.25 0.00 -1.57 0.00 0.00 52.86 52.12 1tn0 s ASN 76 Cb -0.26 -2.27 0.03 0.00 -0.02 0.00 0.00 41.25 38.73 1tn0 s ASN 76 CO 0.01 0.28 0.96 -2.16 -2.57 0.00 0.00 177.10 173.62 1tn0 s PRO 77 N -1.25 3.44 -0.24 -0.60 0.04 -1.26 0.15 135.00 135.29 1tn0 s PRO 77 Ca 0.27 -0.02 -0.05 0.00 0.04 0.00 0.00 61.00 61.24 1tn0 s PRO 77 Cb -0.17 -3.99 -0.01 0.00 0.04 0.00 0.00 34.50 30.37 1tn0 s PRO 77 CO 0.16 -1.38 0.00 0.42 0.04 0.00 0.00 177.00 176.24 1tn0 s ILE 78 N 3.95 3.68 -0.96 0.56 -1.09 0.90 -4.88 121.20 123.35 1tn0 s ILE 78 Ca 0.35 -0.46 -0.21 0.00 -2.23 0.00 0.00 60.65 58.10 1tn0 s ILE 78 Cb -0.11 -2.73 0.09 0.00 -1.58 0.00 0.00 42.46 38.14 1tn0 s ILE 78 CO 0.23 0.35 1.27 -0.31 -1.23 0.00 0.00 174.94 175.24 1tn0 s TYR 79 N 1.51 2.84 -0.77 3.97 2.02 -1.26 -1.17 117.35 124.49 1tn0 s TYR 79 Ca 0.05 -1.12 0.26 0.00 -0.37 0.00 0.00 57.07 55.89 1tn0 s TYR 79 Cb -0.15 -4.47 0.92 0.00 -0.40 0.00 0.00 41.96 37.86 1tn0 s TYR 79 CO -0.01 -1.70 1.79 -2.67 -1.57 0.00 0.00 175.55 171.39 1tn0 n TRP 80 N 7.63 0.66 0.30 2.71 4.27 -0.40 -2.52 117.44 130.09 1tn0 n TRP 80 Ca 0.27 0.20 0.19 0.00 -3.89 0.00 0.00 57.50 54.27 1tn0 n TRP 80 Cb 0.50 -0.83 0.93 0.00 -1.36 0.00 0.00 31.31 30.55 1tn0 n TRP 80 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1tn0 h ALA 81 N 2.59 1.06 -0.78 -1.67 0.00 -1.74 -1.20 119.26 117.52 1tn0 h ALA 81 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1tn0 h ALA 81 Cb 0.61 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1tn0 h ALA 81 CO 0.00 0.03 0.52 0.00 0.00 0.00 0.00 179.25 179.80 1tn0 h ARG 82 N 0.00 0.99 0.00 0.00 3.08 -1.76 -2.28 114.38 114.42 1tn0 h ARG 82 Ca -0.00 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 1tn0 h ARG 82 Cb 0.25 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1tn0 h ARG 82 CO 0.00 0.66 -0.62 1.88 -1.07 0.00 0.00 179.97 180.82 1tn0 h TYR 83 N 1.02 0.00 0.00 3.04 0.05 -1.43 -2.30 116.97 117.35 1tn0 h TYR 83 Ca 0.30 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.01 1tn0 h TYR 83 Cb -0.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1tn0 h TYR 83 CO -0.00 0.62 -0.29 0.00 -1.05 0.00 0.00 178.16 177.44 1tn0 h ALA 84 N 1.38 1.10 0.00 3.88 0.00 -1.39 0.52 119.26 124.75 1tn0 h ALA 84 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1tn0 h ALA 84 Cb 1.46 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1tn0 h ALA 84 CO 0.08 0.37 -0.02 0.22 0.00 0.00 0.00 179.25 179.90 1tn0 h ASP 85 N 0.00 0.00 -0.29 0.00 1.82 -1.38 -3.38 116.42 113.19 1tn0 h ASP 85 Ca -0.00 0.00 0.05 0.00 -0.39 0.00 0.00 57.03 56.69 1tn0 h ASP 85 Cb 0.73 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.72 1tn0 h ASP 85 CO 0.04 0.34 0.20 -0.50 -1.61 0.00 0.00 179.24 177.71 1tn0 h TRP 86 N -0.66 0.16 -0.69 0.28 6.55 -1.42 -2.18 115.95 117.99 1tn0 h TRP 86 Ca 0.00 0.00 0.16 0.00 0.95 0.00 0.00 58.89 60.01 1tn0 h TRP 86 Cb 0.02 -0.05 -0.04 0.00 -0.86 0.00 0.00 29.16 28.23 1tn0 h TRP 86 CO -0.01 0.09 0.48 1.25 -1.05 0.00 0.00 178.44 179.19 1tn0 h LEU 87 N 0.16 0.20 0.00 -4.49 5.85 -1.06 -2.02 115.31 113.95 1tn0 h LEU 87 Ca 0.13 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 1tn0 h LEU 87 Cb 0.33 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1tn0 h LEU 87 CO -0.02 0.10 -1.87 0.49 -0.34 0.00 0.00 178.44 176.80 1tn0 n PHE 88 N -4.42 0.00 0.01 1.25 3.72 -0.86 -4.47 117.46 112.68 1tn0 n PHE 88 Ca 0.13 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.41 1tn0 n PHE 88 Cb 0.61 -0.51 -0.14 0.00 -0.94 0.00 0.00 39.48 38.50 1tn0 n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1tn0 h THR 89 N 0.00 0.98 -0.40 4.37 1.35 -1.30 -3.26 112.91 114.65 1tn0 h THR 89 Ca -0.14 -2.76 -0.11 0.00 -0.55 0.00 0.00 66.41 62.86 1tn0 h THR 89 Cb 1.16 2.55 -0.01 0.00 -1.73 0.00 0.00 68.15 70.11 1tn0 h THR 89 CO 0.01 0.67 -0.18 0.71 -0.25 0.00 0.00 175.52 176.48 1tn0 h THR 90 N 0.02 1.28 0.00 6.82 1.35 -1.62 -2.53 112.91 118.23 1tn0 h THR 90 Ca -0.26 -1.30 -0.09 0.00 -0.55 0.00 0.00 66.41 64.20 1tn0 h THR 90 Cb 1.99 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 69.67 1tn0 h THR 90 CO 0.10 0.44 -0.45 1.55 -0.25 0.00 0.00 175.52 176.91 1tn0 h PRO 91 N 0.63 0.00 -0.09 4.72 0.13 -1.77 -1.82 132.00 133.79 1tn0 h PRO 91 Ca 0.09 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.12 1tn0 h PRO 91 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1tn0 h PRO 91 CO 0.05 0.45 -0.41 -0.07 -0.23 0.00 0.00 178.00 177.80 1tn0 h LEU 92 N 0.00 0.21 -0.23 1.56 3.38 -1.58 -1.05 115.31 117.60 1tn0 h LEU 92 Ca -0.00 -0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.70 1tn0 h LEU 92 Cb 0.82 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1tn0 h LEU 92 CO 0.06 0.60 -0.56 -0.07 0.09 0.00 0.00 178.44 178.56 1tn0 h LEU 93 N 0.17 0.88 -0.37 1.67 3.38 -1.02 -1.65 115.31 118.37 1tn0 h LEU 93 Ca 0.02 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1tn0 h LEU 93 Cb 0.79 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1tn0 h LEU 93 CO 0.06 1.29 0.18 -0.07 0.09 0.00 0.00 178.44 179.99 1tn0 h LEU 94 N 0.51 0.48 -0.47 1.67 4.07 -1.18 -2.23 115.31 118.16 1tn0 h LEU 94 Ca -0.01 -0.12 0.03 0.00 0.08 0.00 0.00 57.88 57.86 1tn0 h LEU 94 Cb 1.17 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.75 1tn0 h LEU 94 CO 0.12 0.46 0.26 0.25 -1.08 0.00 0.00 178.44 178.46 1tn0 h LEU 95 N 0.45 0.41 -0.94 1.67 5.85 -1.18 0.28 115.31 121.85 1tn0 h LEU 95 Ca 0.13 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.97 1tn0 h LEU 95 Cb 0.11 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1tn0 h LEU 95 CO -0.02 0.29 0.57 0.44 -0.34 0.00 0.00 178.44 179.39 1tn0 h ASP 96 N 0.52 0.84 -0.02 1.25 5.19 -0.92 0.26 116.42 123.54 1tn0 h ASP 96 Ca 0.20 0.05 -0.22 0.00 -0.62 0.00 0.00 57.03 56.44 1tn0 h ASP 96 Cb 0.06 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 39.46 1tn0 h ASP 96 CO -0.11 0.46 -0.80 -0.07 -3.12 0.00 0.00 179.24 175.60 1tn0 h LEU 97 N 0.93 0.81 -0.96 1.55 3.38 -0.77 -3.16 115.31 117.09 1tn0 h LEU 97 Ca 0.46 -0.55 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1tn0 h LEU 97 Cb 0.44 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1tn0 h LEU 97 CO -0.26 1.33 -0.26 0.00 0.09 0.00 0.00 178.44 179.35 1tn0 h ALA 98 N 0.65 1.12 -0.02 1.53 0.00 0.65 -2.84 119.26 120.34 1tn0 h ALA 98 Ca -0.05 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 1tn0 h ALA 98 Cb 1.41 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1tn0 h ALA 98 CO 0.16 0.55 -0.67 -0.07 0.00 0.00 0.00 179.25 179.22 1tn0 h LEU 99 N 0.40 0.12 -0.63 0.00 3.38 -0.59 -0.84 115.31 117.15 1tn0 h LEU 99 Ca 0.06 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1tn0 h LEU 99 Cb 0.66 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1tn0 h LEU 99 CO 0.05 0.75 0.29 0.25 0.09 0.00 0.00 178.44 179.87 1tn0 h LEU 100 N 0.07 0.82 -2.44 1.67 5.85 -1.47 -3.05 115.31 116.76 1tn0 h LEU 100 Ca -0.01 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1tn0 h LEU 100 Cb 1.19 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1tn0 h LEU 100 CO 0.09 0.73 0.00 1.33 -0.34 0.00 0.00 178.44 180.26 1tn0 n VAL 101 N -4.49 0.81 -3.53 1.05 0.24 -1.17 -4.96 118.33 106.28 1tn0 n VAL 101 Ca 0.04 -0.87 -0.20 0.00 -2.04 0.00 0.00 64.34 61.27 1tn0 n VAL 101 Cb 0.13 0.57 0.08 0.00 -1.47 0.00 0.00 33.84 33.14 1tn0 n VAL 101 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1tn0 n ASP 102 N 1.48 -3.41 -4.68 -1.34 2.03 -1.12 -4.48 116.55 105.03 1tn0 n ASP 102 Ca 0.22 -0.62 -0.34 0.00 0.52 0.00 0.00 54.79 54.56 1tn0 n ASP 102 Cb 0.58 -4.94 0.11 0.00 -0.72 0.00 0.00 41.12 36.15 1tn0 n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1tn0 n ALA 103 N -4.44 0.08 -2.00 -1.67 0.00 -0.34 -4.99 120.51 107.15 1tn0 n ALA 103 Ca -0.18 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 52.70 1tn0 n ALA 103 Cb 0.63 -2.23 0.03 0.00 0.00 0.00 0.00 19.45 17.88 1tn0 n ALA 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1tn0 s ASP 104 N -1.93 5.73 0.36 0.00 1.01 -1.26 -4.91 116.67 115.67 1tn0 s ASP 104 Ca 0.75 1.01 0.05 0.00 0.71 0.00 0.00 52.55 55.07 1tn0 s ASP 104 Cb -0.31 -1.98 0.73 0.00 1.01 0.00 0.00 42.92 42.37 1tn0 s ASP 104 CO 0.49 -1.07 1.96 -0.61 0.21 0.00 0.00 175.17 176.16 1tn0 h GLN 105 N -0.32 0.75 -0.47 8.23 4.15 -2.00 -1.94 115.11 123.50 1tn0 h GLN 105 Ca -0.45 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 58.81 1tn0 h GLN 105 Cb 1.24 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 1tn0 h GLN 105 CO 0.62 0.49 -0.16 0.78 -1.93 0.00 0.00 178.83 178.64 1tn0 h GLY 106 N 0.77 1.02 0.98 2.39 0.00 -1.99 -1.99 103.07 104.25 1tn0 h GLY 106 Ca 0.30 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1tn0 h GLY 106 CO -0.10 0.79 -0.08 -0.84 0.00 0.00 0.00 176.54 176.32 1tn0 h THR 107 N 0.78 0.85 0.36 4.70 2.02 -1.78 -0.47 112.91 119.37 1tn0 h THR 107 Ca 0.11 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1tn0 h THR 107 Cb 0.72 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1tn0 h THR 107 CO 0.06 0.01 -0.27 0.40 0.37 0.00 0.00 175.52 176.09 1tn0 h ILE 108 N -0.24 0.45 -0.72 3.11 2.04 -1.36 0.53 117.51 121.32 1tn0 h ILE 108 Ca -0.02 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.97 1tn0 h ILE 108 Cb 0.18 0.45 -0.09 0.00 -0.74 0.00 0.00 36.82 36.62 1tn0 h ILE 108 CO 0.04 0.00 0.28 0.25 0.00 0.00 0.00 178.15 178.72 1tn0 h LEU 109 N -0.62 0.27 -0.51 1.44 6.46 -1.32 0.21 115.31 121.23 1tn0 h LEU 109 Ca -0.03 0.10 -0.16 0.00 -0.12 0.00 0.00 57.88 57.67 1tn0 h LEU 109 Cb 0.53 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1tn0 h LEU 109 CO 0.01 0.12 -0.53 0.00 -0.62 0.00 0.00 178.44 177.41 1tn0 h ALA 110 N 1.51 0.69 -0.39 1.25 0.00 -0.52 0.14 119.26 121.95 1tn0 h ALA 110 Ca 0.39 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1tn0 h ALA 110 Cb 0.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1tn0 h ALA 110 CO -0.38 0.68 0.05 -0.07 0.00 0.00 0.00 179.25 179.53 1tn0 h LEU 111 N 0.46 0.64 -0.51 0.00 3.38 0.15 0.03 115.31 119.45 1tn0 h LEU 111 Ca 0.01 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 1tn0 h LEU 111 Cb 1.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1tn0 h LEU 111 CO 0.10 0.75 -0.27 0.58 0.09 0.00 0.00 178.44 179.69 1tn0 h VAL 112 N 0.50 1.27 0.39 1.22 2.07 -0.62 -1.34 116.25 119.74 1tn0 h VAL 112 Ca 0.12 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 1tn0 h VAL 112 Cb 0.39 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1tn0 h VAL 112 CO 0.01 0.49 -0.19 1.23 0.02 0.00 0.00 177.57 179.13 1tn0 h GLY 113 N 0.88 -0.54 0.05 2.17 0.00 -0.61 -0.91 103.07 104.11 1tn0 h GLY 113 Ca 0.09 0.20 0.24 0.00 0.00 0.00 0.00 47.33 47.86 1tn0 h GLY 113 CO 0.07 -0.20 0.64 0.00 0.00 0.00 0.00 176.54 177.06 1tn0 h ALA 114 N -0.20 2.22 -0.01 3.60 0.00 -0.95 0.83 119.26 124.75 1tn0 h ALA 114 Ca -0.05 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1tn0 h ALA 114 Cb 0.50 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1tn0 h ALA 114 CO 0.09 -0.57 -0.54 0.22 0.00 0.00 0.00 179.25 178.45 1tn0 h ASP 115 N 0.41 0.02 -0.21 0.00 1.82 -1.04 -2.32 116.42 115.11 1tn0 h ASP 115 Ca 0.54 -0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 57.03 1tn0 h ASP 115 Cb 1.36 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.36 1tn0 h ASP 115 CO -0.24 0.56 -0.40 1.23 -1.61 0.00 0.00 179.24 178.77 1tn0 h GLY 116 N 1.59 0.71 1.02 -0.78 0.00 0.21 -3.09 103.07 102.73 1tn0 h GLY 116 Ca -0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 1tn0 h GLY 116 CO 0.07 0.75 0.48 -2.22 0.00 0.00 0.00 176.54 175.62 1tn0 h ILE 117 N 0.34 1.25 -0.68 2.60 2.04 -1.07 -2.39 117.51 119.59 1tn0 h ILE 117 Ca 0.01 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1tn0 h ILE 117 Cb 1.00 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1tn0 h ILE 117 CO 0.09 0.27 0.37 -0.03 0.00 0.00 0.00 178.15 178.85 1tn0 h MET 118 N 1.19 0.95 0.00 2.37 4.05 -1.41 -0.63 114.93 121.46 1tn0 h MET 118 Ca 0.30 -0.11 -0.20 0.00 -0.28 0.00 0.00 59.70 59.41 1tn0 h MET 118 Cb 0.01 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.59 1tn0 h MET 118 CO -0.05 0.72 -0.93 0.82 0.23 0.00 0.00 176.91 177.69 1tn0 h ILE 119 N 0.93 1.62 0.01 1.77 1.08 -1.52 -2.69 117.51 118.71 1tn0 h ILE 119 Ca 0.24 -3.25 -0.00 0.00 -0.39 0.00 0.00 64.86 61.46 1tn0 h ILE 119 Cb 0.04 2.78 0.00 0.00 -3.07 0.00 0.00 36.82 36.57 1tn0 h ILE 119 CO -0.04 0.91 -0.00 1.23 -0.69 0.00 0.00 178.15 179.56 1tn0 h GLY 120 N 3.01 -0.01 1.73 5.37 0.00 -1.28 -1.83 103.07 110.07 1tn0 h GLY 120 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 1tn0 h GLY 120 CO 0.12 -0.00 -0.48 -0.91 0.00 0.00 0.00 176.54 175.27 1tn0 h THR 121 N -0.64 1.33 -0.59 4.70 1.35 -1.24 -1.61 112.91 116.21 1tn0 h THR 121 Ca -0.00 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 1tn0 h THR 121 Cb 0.62 1.78 -0.03 0.00 -1.73 0.00 0.00 68.15 68.79 1tn0 h THR 121 CO 0.00 0.51 0.38 1.23 -0.25 0.00 0.00 175.52 177.39 1tn0 h GLY 122 N 1.28 0.83 0.91 5.82 0.00 -1.52 0.48 103.07 110.86 1tn0 h GLY 122 Ca 0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1tn0 h GLY 122 CO 0.08 0.31 0.06 -2.00 0.00 0.00 0.00 176.54 174.99 1tn0 h LEU 123 N 0.79 0.54 -0.93 3.11 5.85 -1.09 0.13 115.31 123.72 1tn0 h LEU 123 Ca 0.21 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1tn0 h LEU 123 Cb -0.08 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.75 1tn0 h LEU 123 CO -0.04 0.66 0.60 0.58 -0.34 0.00 0.00 178.44 179.90 1tn0 h VAL 124 N 0.40 1.13 -0.26 1.05 2.07 -1.05 -0.29 116.25 119.29 1tn0 h VAL 124 Ca 0.10 -0.39 -0.15 0.00 0.82 0.00 0.00 66.70 67.08 1tn0 h VAL 124 Cb 0.35 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1tn0 h VAL 124 CO 0.01 0.21 -0.45 1.23 0.02 0.00 0.00 177.57 178.58 1tn0 h GLY 125 N 1.14 0.74 2.00 2.17 0.00 -0.55 0.11 103.07 108.68 1tn0 h GLY 125 Ca 0.38 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1tn0 h GLY 125 CO -0.14 0.70 -0.21 0.00 0.00 0.00 0.00 176.54 176.90 1tn0 h ALA 126 N 0.95 1.26 0.00 3.60 0.00 0.11 -3.08 119.26 122.10 1tn0 h ALA 126 Ca 0.03 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1tn0 h ALA 126 Cb 0.99 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1tn0 h ALA 126 CO 0.09 0.26 -1.34 1.28 0.00 0.00 0.00 179.25 179.54 1tn0 n LEU 127 N -3.71 0.73 -4.68 0.00 4.77 -0.20 -4.94 117.00 108.96 1tn0 n LEU 127 Ca -0.01 0.30 -0.43 0.00 -0.03 0.00 0.00 56.01 55.84 1tn0 n LEU 127 Cb 0.32 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1tn0 n LEU 127 CO 0.33 -0.00 0.85 0.41 -1.33 0.00 0.00 177.39 177.65 1tn0 n THR 128 N -2.72 1.94 -0.04 -5.08 -1.04 0.35 -4.92 114.28 102.77 1tn0 n THR 128 Ca -0.06 -0.49 -0.05 0.00 -2.04 0.00 0.00 64.05 61.41 1tn0 n THR 128 Cb 0.70 -1.48 -0.14 0.00 -1.82 0.00 0.00 70.33 67.60 1tn0 n THR 128 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1tn0 n LYS 129 N 0.66 0.65 -2.58 -2.82 5.02 -1.26 -4.73 118.16 113.10 1tn0 n LYS 129 Ca 0.06 0.12 -0.43 0.00 -2.02 0.00 0.00 58.31 56.04 1tn0 n LYS 129 Cb 0.35 -1.67 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 1tn0 n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1tn0 s VAL 130 N -2.72 4.30 0.23 -0.18 1.01 -1.26 -4.52 120.40 117.26 1tn0 s VAL 130 Ca -0.06 1.43 -0.13 0.00 0.00 0.00 0.00 61.98 63.21 1tn0 s VAL 130 Cb 0.08 -4.44 0.30 0.00 0.00 0.00 0.00 36.38 32.32 1tn0 s VAL 130 CO 0.83 -0.70 1.59 0.22 0.00 0.00 0.00 175.10 177.04 1tn0 h TYR 131 N 8.85 -0.58 0.00 5.22 5.03 -1.91 -2.00 116.97 131.57 1tn0 h TYR 131 Ca -0.23 0.08 -0.07 0.00 2.58 0.00 0.00 58.73 61.09 1tn0 h TYR 131 Cb 1.07 0.38 -0.01 0.00 1.55 0.00 0.00 36.73 39.72 1tn0 h TYR 131 CO 0.90 -0.36 -0.33 0.66 -1.32 0.00 0.00 178.16 177.71 1tn0 h SER 132 N -0.03 0.00 0.86 -2.11 4.64 -1.98 -2.88 113.55 112.06 1tn0 h SER 132 Ca 0.36 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.58 1tn0 h SER 132 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1tn0 h SER 132 CO -0.83 0.33 -0.46 1.88 -0.87 0.00 0.00 176.83 176.89 1tn0 h TYR 133 N 0.00 0.00 -0.48 4.77 0.05 -1.77 -2.88 116.97 116.66 1tn0 h TYR 133 Ca -0.00 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.86 1tn0 h TYR 133 Cb 0.70 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.37 1tn0 h TYR 133 CO 0.00 0.46 0.05 0.00 -1.05 0.00 0.00 178.16 177.62 1tn0 h ARG 134 N 0.00 0.16 0.00 4.88 3.08 -1.27 0.24 114.38 121.47 1tn0 h ARG 134 Ca -0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1tn0 h ARG 134 Cb 1.02 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 1tn0 h ARG 134 CO 0.06 0.11 -0.13 0.74 -1.07 0.00 0.00 179.97 179.67 1tn0 h PHE 135 N 0.17 0.00 0.06 3.04 0.04 -1.62 0.08 116.94 118.71 1tn0 h PHE 135 Ca 0.24 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.01 1tn0 h PHE 135 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1tn0 h PHE 135 CO -0.26 0.13 -0.03 0.28 -0.60 0.00 0.00 178.31 177.83 1tn0 h VAL 136 N 0.00 1.18 -0.76 -0.55 2.07 -0.83 -0.77 116.25 116.58 1tn0 h VAL 136 Ca -0.00 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.70 1tn0 h VAL 136 Cb 0.48 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1tn0 h VAL 136 CO 0.02 0.21 0.50 -0.50 0.02 0.00 0.00 177.57 177.82 1tn0 h TRP 137 N -0.45 0.95 -0.95 1.57 4.06 -0.93 -0.18 115.95 120.01 1tn0 h TRP 137 Ca -0.01 0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.02 1tn0 h TRP 137 Cb 0.40 -0.32 -0.06 0.00 -1.00 0.00 0.00 29.16 28.18 1tn0 h TRP 137 CO 0.05 0.60 0.61 2.35 -3.56 0.00 0.00 178.44 178.49 1tn0 h TRP 138 N 1.03 1.14 -0.32 0.49 7.01 -0.98 0.13 115.95 124.45 1tn0 h TRP 138 Ca 0.28 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.30 1tn0 h TRP 138 Cb -0.11 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 26.56 1tn0 h TRP 138 CO -0.02 0.61 0.18 0.00 -2.79 0.00 0.00 178.44 176.42 1tn0 h ALA 139 N 1.42 0.41 -0.44 2.65 0.00 0.48 -0.36 119.26 123.41 1tn0 h ALA 139 Ca 0.40 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 1tn0 h ALA 139 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1tn0 h ALA 139 CO -0.16 -0.07 -0.25 0.82 0.00 0.00 0.00 179.25 179.59 1tn0 h ILE 140 N 0.39 1.27 -0.35 0.00 2.04 -0.61 -2.21 117.51 118.05 1tn0 h ILE 140 Ca 0.11 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.56 1tn0 h ILE 140 Cb 0.06 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1tn0 h ILE 140 CO -0.02 0.48 0.21 -1.28 0.00 0.00 0.00 178.15 177.54 1tn0 h SER 141 N 0.79 0.41 -0.79 1.72 0.87 -0.55 -1.99 113.55 114.02 1tn0 h SER 141 Ca 0.10 -0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.56 1tn0 h SER 141 Cb 0.82 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.64 1tn0 h SER 141 CO 0.07 0.34 0.33 0.74 -0.53 0.00 0.00 176.83 177.78 1tn0 h THR 142 N 0.45 1.26 0.00 2.23 2.02 -0.96 -2.31 112.91 115.59 1tn0 h THR 142 Ca 0.12 -0.80 -0.07 0.00 0.77 0.00 0.00 66.41 66.43 1tn0 h THR 142 Cb 0.00 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1tn0 h THR 142 CO -0.02 0.33 -0.35 0.00 0.37 0.00 0.00 175.52 175.85 1tn0 h ALA 143 N 1.20 1.39 -0.53 6.16 0.00 -1.19 0.20 119.26 126.49 1tn0 h ALA 143 Ca 0.27 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1tn0 h ALA 143 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1tn0 h ALA 143 CO -0.02 0.44 -0.10 0.00 0.00 0.00 0.00 179.25 179.56 1tn0 h ALA 144 N 1.65 0.73 -0.53 0.00 0.00 -0.92 -2.44 119.26 117.75 1tn0 h ALA 144 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1tn0 h ALA 144 Cb 0.63 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1tn0 h ALA 144 CO 0.05 0.63 0.23 1.98 0.00 0.00 0.00 179.25 182.14 1tn0 h MET 145 N 0.88 0.78 -0.21 0.00 -1.53 -0.77 -2.44 114.93 111.64 1tn0 h MET 145 Ca 0.14 -0.13 -0.02 0.00 -3.44 0.00 0.00 59.70 56.25 1tn0 h MET 145 Cb 0.66 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.57 1tn0 h MET 145 CO 0.05 0.66 0.04 -0.07 0.14 0.00 0.00 176.91 177.73 1tn0 h LEU 146 N 0.71 0.26 -0.30 3.39 3.38 -0.91 -0.76 115.31 121.09 1tn0 h LEU 146 Ca 0.18 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1tn0 h LEU 146 Cb 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1tn0 h LEU 146 CO -0.02 0.28 -0.03 0.22 0.09 0.00 0.00 178.44 178.98 1tn0 h TYR 147 N 0.29 0.60 -0.13 1.13 3.20 -1.00 -0.68 116.97 120.39 1tn0 h TYR 147 Ca 0.07 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1tn0 h TYR 147 Cb 0.13 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1tn0 h TYR 147 CO 0.00 0.71 0.08 0.82 -1.64 0.00 0.00 178.16 178.13 1tn0 h ILE 148 N 0.33 1.05 -0.69 1.81 2.04 -0.98 -1.53 117.51 119.54 1tn0 h ILE 148 Ca 0.08 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1tn0 h ILE 148 Cb 0.49 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1tn0 h ILE 148 CO 0.02 0.05 0.35 -0.07 0.00 0.00 0.00 178.15 178.50 1tn0 h LEU 149 N 0.16 0.89 -0.80 1.44 3.38 -1.13 -0.02 115.31 119.23 1tn0 h LEU 149 Ca 0.05 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1tn0 h LEU 149 Cb 0.00 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1tn0 h LEU 149 CO -0.01 0.76 0.52 0.22 0.09 0.00 0.00 178.44 180.01 1tn0 h TYR 150 N 0.96 0.98 -0.45 1.13 3.20 -0.91 0.84 116.97 122.72 1tn0 h TYR 150 Ca 0.24 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.06 1tn0 h TYR 150 Cb 0.09 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 1tn0 h TYR 150 CO 0.00 0.58 -0.02 0.28 -1.64 0.00 0.00 178.16 177.36 1tn0 h VAL 151 N 1.03 1.26 -0.79 1.81 2.07 -0.59 0.96 116.25 122.00 1tn0 h VAL 151 Ca 0.31 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1tn0 h VAL 151 Cb -0.03 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1tn0 h VAL 151 CO -0.10 0.37 0.35 -0.07 0.02 0.00 0.00 177.57 178.14 1tn0 h LEU 152 N 0.66 1.05 0.05 2.57 4.07 -0.65 -0.73 115.31 122.33 1tn0 h LEU 152 Ca 0.13 -0.14 -0.11 0.00 0.08 0.00 0.00 57.88 57.84 1tn0 h LEU 152 Cb 0.52 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1tn0 h LEU 152 CO 0.03 0.91 -0.50 0.15 -1.08 0.00 0.00 178.44 177.94 1tn0 h PHE 153 N 1.13 0.21 0.00 1.13 3.04 -0.65 -3.06 116.94 118.73 1tn0 h PHE 153 Ca 0.27 -0.15 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 1tn0 h PHE 153 Cb 0.16 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.66 1tn0 h PHE 153 CO 0.02 1.20 -0.21 0.74 -2.02 0.00 0.00 178.31 178.03 1tn0 h PHE 154 N -0.75 0.00 0.20 0.41 0.04 0.91 -3.38 116.94 114.38 1tn0 h PHE 154 Ca -0.11 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 1tn0 h PHE 154 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1tn0 h PHE 154 CO 0.22 0.18 -0.09 0.78 -0.60 0.00 0.00 178.31 178.80 1tn0 h GLY 155 N -1.00 -0.28 -0.19 -1.45 0.00 -1.34 -3.25 103.07 95.56 1tn0 h GLY 155 Ca -0.02 0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.48 1tn0 h GLY 155 CO -0.01 -0.10 -0.39 0.74 0.00 0.00 0.00 176.54 176.78 1tn0 h PHE 156 N -0.34 -1.10 -1.13 5.60 -1.00 -1.30 -0.92 116.94 116.74 1tn0 h PHE 156 Ca -0.03 0.06 0.32 0.00 2.81 0.00 0.00 57.97 61.13 1tn0 h PHE 156 Cb 0.20 0.53 -0.09 0.00 3.61 0.00 0.00 35.95 40.20 1tn0 h PHE 156 CO 0.12 -0.42 0.75 1.15 -1.61 0.00 0.00 178.31 178.29 1tn0 h THR 157 N -0.33 0.42 -0.35 -1.55 2.02 -1.69 0.15 112.91 111.58 1tn0 h THR 157 Ca 0.14 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 67.13 1tn0 h THR 157 Cb 0.57 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1tn0 h THR 157 CO -0.53 0.05 -0.18 0.28 0.37 0.00 0.00 175.52 175.51 1tn0 h SER 158 N 0.26 0.77 1.01 4.18 0.02 -1.20 -3.00 113.55 115.58 1tn0 h SER 158 Ca 0.64 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1tn0 h SER 158 Cb 1.87 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 64.20 1tn0 h SER 158 CO -0.27 1.01 -0.06 0.50 -1.14 0.00 0.00 176.83 176.88 1tn0 h LYS 159 N 0.53 0.00 0.00 3.45 3.64 -0.56 -2.52 116.57 121.11 1tn0 h LYS 159 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1tn0 h LYS 159 Cb 0.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1tn0 h LYS 159 CO 0.05 0.06 0.00 0.00 -2.27 0.00 0.00 179.45 177.29 1tn0 n ALA 160 N -2.13 1.93 1.33 5.00 0.00 -0.56 -1.93 120.51 124.15 1tn0 n ALA 160 Ca 0.00 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.50 1tn0 n ALA 160 Cb 0.34 -1.30 0.50 0.00 0.00 0.00 0.00 19.45 18.98 1tn0 n ALA 160 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tn0 n GLU 161 N -1.38 0.78 -0.21 0.00 -0.58 -0.95 -2.76 120.64 115.55 1tn0 n GLU 161 Ca 0.07 -0.38 0.11 0.00 -0.42 0.00 0.00 57.16 56.54 1tn0 n GLU 161 Cb 0.18 -1.49 0.26 0.00 -0.57 0.00 0.00 31.44 29.82 1tn0 n GLU 161 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1tn0 n SER 162 N -0.78 3.09 -4.84 1.62 3.41 -0.81 -4.92 113.62 110.39 1tn0 n SER 162 Ca 0.13 -1.95 -0.21 0.00 -0.26 0.00 0.00 58.87 56.58 1tn0 n SER 162 Cb 0.31 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 1tn0 n SER 162 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1tn0 s MET 163 N -1.45 2.52 0.83 4.33 -1.94 -1.11 -5.10 119.30 117.38 1tn0 s MET 163 Ca 0.38 -1.52 -0.11 0.00 -1.71 0.00 0.00 55.69 52.73 1tn0 s MET 163 Cb 0.21 -2.34 0.09 0.00 2.01 0.00 0.00 34.83 34.81 1tn0 s MET 163 CO 0.30 -0.10 1.13 1.03 -0.01 0.00 0.00 175.02 177.37 1tn0 s ARG 164 N -4.06 1.67 0.47 2.03 1.81 -1.26 -4.65 118.95 114.97 1tn0 s ARG 164 Ca 0.45 1.44 0.14 0.00 -1.72 0.00 0.00 55.73 56.04 1tn0 s ARG 164 Cb -0.03 -1.81 1.10 0.00 -0.45 0.00 0.00 34.95 33.76 1tn0 s ARG 164 CO 0.27 -2.13 2.08 -1.00 -0.68 0.00 0.00 175.30 173.84 1tn0 h PRO 165 N -1.33 0.11 -0.34 3.54 0.13 -1.97 0.19 132.00 132.33 1tn0 h PRO 165 Ca -0.44 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 1tn0 h PRO 165 Cb 1.26 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1tn0 h PRO 165 CO 0.46 0.13 -0.10 1.49 -0.23 0.00 0.00 178.00 179.76 1tn0 h GLU 166 N 0.11 0.58 0.14 0.86 4.57 -1.97 0.22 114.58 119.09 1tn0 h GLU 166 Ca 0.03 -0.17 -0.19 0.00 -1.18 0.00 0.00 59.36 57.85 1tn0 h GLU 166 Cb 0.09 -0.06 0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1tn0 h GLU 166 CO 0.00 0.67 -0.84 0.28 -1.18 0.00 0.00 179.01 177.95 1tn0 h VAL 167 N 0.54 1.50 -0.13 0.32 2.07 -1.50 -2.70 116.25 116.33 1tn0 h VAL 167 Ca 0.10 -2.54 -0.06 0.00 0.82 0.00 0.00 66.70 65.03 1tn0 h VAL 167 Cb 0.49 3.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.44 1tn0 h VAL 167 CO 0.03 0.72 -0.17 0.00 0.02 0.00 0.00 177.57 178.17 1tn0 h ALA 168 N 0.08 1.47 0.00 1.67 0.00 -0.58 -2.70 119.26 119.20 1tn0 h ALA 168 Ca -0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1tn0 h ALA 168 Cb 1.65 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1tn0 h ALA 168 CO 0.15 0.37 -0.13 0.66 0.00 0.00 0.00 179.25 180.30 1tn0 h SER 169 N 0.21 0.00 0.95 0.00 4.64 -0.61 -2.40 113.55 116.33 1tn0 h SER 169 Ca 0.04 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.14 1tn0 h SER 169 Cb 0.42 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 1tn0 h SER 169 CO 0.03 0.03 -1.04 0.74 -0.87 0.00 0.00 176.83 175.72 1tn0 h THR 170 N 0.00 1.68 -0.16 2.95 2.02 -1.24 -3.27 112.91 114.90 1tn0 h THR 170 Ca -0.00 -3.37 -0.08 0.00 0.77 0.00 0.00 66.41 63.73 1tn0 h THR 170 Cb 1.03 2.85 -0.00 0.00 -1.74 0.00 0.00 68.15 70.29 1tn0 h THR 170 CO 0.00 0.96 -0.20 0.15 0.37 0.00 0.00 175.52 176.81 1tn0 h PHE 171 N 0.01 0.50 0.00 3.16 3.57 -1.44 -2.36 116.94 120.38 1tn0 h PHE 171 Ca -0.03 -0.16 -0.04 0.00 3.53 0.00 0.00 57.97 61.27 1tn0 h PHE 171 Cb 1.80 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.43 1tn0 h PHE 171 CO 0.01 0.82 -0.20 1.57 -2.23 0.00 0.00 178.31 178.27 1tn0 h LYS 172 N 0.04 0.00 -0.04 1.11 -0.00 -1.53 0.77 116.57 116.92 1tn0 h LYS 172 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.65 1tn0 h LYS 172 Cb 0.75 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.98 1tn0 h LYS 172 CO 0.05 0.20 -0.06 0.28 -0.00 0.00 0.00 179.45 179.92 1tn0 h VAL 173 N 0.00 1.42 -0.28 0.07 2.07 -1.60 -1.14 116.25 116.79 1tn0 h VAL 173 Ca -0.00 -1.35 -0.10 0.00 0.82 0.00 0.00 66.70 66.08 1tn0 h VAL 173 Cb 0.51 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1tn0 h VAL 173 CO 0.03 0.36 -0.23 -0.07 0.02 0.00 0.00 177.57 177.68 1tn0 h LEU 174 N -0.41 0.53 -0.65 2.57 3.38 -0.84 -0.01 115.31 119.88 1tn0 h LEU 174 Ca 0.00 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 1tn0 h LEU 174 Cb 0.62 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1tn0 h LEU 174 CO 0.01 0.76 -0.54 -0.09 0.09 0.00 0.00 178.44 178.67 1tn0 h ARG 175 N 0.47 0.38 -0.17 1.13 2.43 0.53 -1.90 114.38 117.26 1tn0 h ARG 175 Ca 0.07 -0.23 -0.22 0.00 -0.81 0.00 0.00 59.98 58.79 1tn0 h ARG 175 Cb 0.66 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1tn0 h ARG 175 CO 0.05 0.82 -0.76 -0.91 -1.51 0.00 0.00 179.97 177.66 1tn0 h ASN 176 N 0.29 0.96 -0.49 -3.80 -0.26 -0.91 0.39 115.58 111.76 1tn0 h ASN 176 Ca 0.01 -0.62 -0.09 0.00 -0.56 0.00 0.00 56.30 55.04 1tn0 h ASN 176 Cb 1.04 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 38.00 1tn0 h ASN 176 CO 0.09 1.42 -0.01 0.58 -1.06 0.00 0.00 177.43 178.45 1tn0 h VAL 177 N 0.56 1.26 -0.45 2.81 2.07 -0.99 -2.39 116.25 119.11 1tn0 h VAL 177 Ca -0.05 -1.09 -0.11 0.00 0.82 0.00 0.00 66.70 66.27 1tn0 h VAL 177 Cb 1.39 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1tn0 h VAL 177 CO 0.16 0.39 -0.15 0.74 0.02 0.00 0.00 177.57 178.73 1tn0 h THR 178 N 0.85 1.27 -0.65 2.57 2.02 -1.15 -0.35 112.91 117.46 1tn0 h THR 178 Ca 0.16 -1.28 -0.07 0.00 0.77 0.00 0.00 66.41 65.99 1tn0 h THR 178 Cb 0.52 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1tn0 h THR 178 CO 0.03 0.44 0.14 0.58 0.37 0.00 0.00 175.52 177.07 1tn0 h VAL 179 N 0.73 1.26 -0.12 3.16 2.07 -0.85 0.08 116.25 122.57 1tn0 h VAL 179 Ca 0.11 -0.97 -0.13 0.00 0.82 0.00 0.00 66.70 66.53 1tn0 h VAL 179 Cb 0.70 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1tn0 h VAL 179 CO 0.05 0.37 -0.43 0.58 0.02 0.00 0.00 177.57 178.16 1tn0 h VAL 180 N 0.98 1.37 -0.17 2.57 2.07 -1.39 -2.46 116.25 119.22 1tn0 h VAL 180 Ca 0.20 -1.74 -0.22 0.00 0.82 0.00 0.00 66.70 65.77 1tn0 h VAL 180 Cb 0.39 2.13 0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1tn0 h VAL 180 CO 0.01 0.52 -0.75 -0.07 0.02 0.00 0.00 177.57 177.30 1tn0 h LEU 181 N 0.10 0.95 -0.80 2.57 3.38 -1.04 -3.19 115.31 117.27 1tn0 h LEU 181 Ca -0.02 -0.62 -0.09 0.00 0.09 0.00 0.00 57.88 57.24 1tn0 h LEU 181 Cb 1.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1tn0 h LEU 181 CO 0.09 1.41 -0.06 -0.50 0.09 0.00 0.00 178.44 179.47 1tn0 h TRP 182 N 0.54 0.91 -0.92 1.13 4.06 -1.08 -2.68 115.95 117.92 1tn0 h TRP 182 Ca -0.05 -0.16 0.13 0.00 2.06 0.00 0.00 58.89 60.88 1tn0 h TRP 182 Cb 1.38 -0.24 -0.09 0.00 -1.00 0.00 0.00 29.16 29.21 1tn0 h TRP 182 CO 0.09 0.87 0.54 0.77 -3.56 0.00 0.00 178.44 177.14 1tn0 h SER 183 N 0.77 0.74 -0.60 -3.49 0.02 -1.46 -2.83 113.55 106.71 1tn0 h SER 183 Ca 0.14 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1tn0 h SER 183 Cb 0.55 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1tn0 h SER 183 CO 0.03 0.37 0.04 0.00 -1.14 0.00 0.00 176.83 176.13 1tn0 h ALA 184 N 1.54 0.80 -0.45 3.77 0.00 -1.46 -3.34 119.26 120.11 1tn0 h ALA 184 Ca 0.48 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1tn0 h ALA 184 Cb 0.56 -0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 1tn0 h ALA 184 CO -0.30 0.61 -0.36 1.88 0.00 0.00 0.00 179.25 181.07 1tn0 h TYR 185 N 0.93 -1.02 -0.15 0.00 -1.99 -1.49 -0.15 116.97 113.09 1tn0 h TYR 185 Ca 0.17 0.07 0.04 0.00 2.00 0.00 0.00 58.73 61.01 1tn0 h TYR 185 Cb 0.51 0.51 -0.01 0.00 2.00 0.00 0.00 36.73 39.74 1tn0 h TYR 185 CO 0.04 -0.40 0.14 -1.00 -0.00 0.00 0.00 178.16 176.94 1tn0 h PRO 186 N -0.25 0.00 -0.03 4.88 0.13 -1.72 -1.37 132.00 133.64 1tn0 h PRO 186 Ca 0.18 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.11 1tn0 h PRO 186 Cb 0.56 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.70 1tn0 h PRO 186 CO -0.59 0.00 -0.75 0.28 -0.23 0.00 0.00 178.00 176.71 1tn0 h VAL 187 N 0.00 1.36 -0.48 1.56 2.07 -1.24 -2.40 116.25 117.12 1tn0 h VAL 187 Ca 0.07 -2.09 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 1tn0 h VAL 187 Cb 0.35 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1tn0 h VAL 187 CO -0.00 0.63 0.27 0.58 0.02 0.00 0.00 177.57 179.07 1tn0 h VAL 188 N 0.15 1.16 -0.32 2.57 2.07 -0.21 -2.25 116.25 119.42 1tn0 h VAL 188 Ca -0.09 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.11 1tn0 h VAL 188 Cb 1.43 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 1tn0 h VAL 188 CO 0.15 0.17 -0.07 -0.25 0.02 0.00 0.00 177.57 177.59 1tn0 h TRP 189 N 0.63 -0.15 -0.21 1.57 7.01 -1.33 -2.04 115.95 121.43 1tn0 h TRP 189 Ca 0.17 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.23 1tn0 h TRP 189 Cb 0.03 0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.17 1tn0 h TRP 189 CO -0.02 -0.13 0.01 1.25 -2.79 0.00 0.00 178.44 176.76 1tn0 h LEU 190 N 0.01 -0.05 -0.60 0.65 5.85 -0.98 -2.21 115.31 117.98 1tn0 h LEU 190 Ca 0.15 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1tn0 h LEU 190 Cb 0.23 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1tn0 h LEU 190 CO -0.32 0.00 -0.10 2.30 -0.34 0.00 0.00 178.44 179.99 1tn0 n ILE 191 N -5.12 0.00 -0.95 4.05 -5.35 -0.89 0.20 119.36 111.30 1tn0 n ILE 191 Ca -0.02 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1tn0 n ILE 191 Cb 0.11 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.27 1tn0 n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tn0 n GLY 192 N 1.23 2.98 0.34 3.28 0.00 -0.78 -0.04 105.19 112.20 1tn0 n GLY 192 Ca 0.17 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.40 1tn0 n GLY 192 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1tn0 h SER 193 N 0.00 0.86 -0.19 1.61 0.02 -1.79 0.91 113.55 114.96 1tn0 h SER 193 Ca 0.00 0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.81 1tn0 h SER 193 Cb 0.00 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 1tn0 h SER 193 CO 0.00 0.50 -0.51 -0.33 -1.14 0.00 0.00 176.83 175.35 1tn0 h GLU 194 N 0.97 0.78 0.00 3.45 3.07 -1.90 -3.44 114.58 117.50 1tn0 h GLU 194 Ca 0.43 -0.47 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1tn0 h GLU 194 Cb 0.32 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1tn0 h GLU 194 CO -0.22 1.10 0.00 0.41 -1.40 0.00 0.00 179.01 178.90 1tn0 n GLY 195 N 0.27 0.72 0.29 -3.84 0.00 -0.84 -4.92 105.19 96.87 1tn0 n GLY 195 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1tn0 n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tn0 h ALA 196 N -1.22 1.32 -1.74 4.61 0.00 -0.25 -3.46 119.26 118.52 1tn0 h ALA 196 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 1tn0 h ALA 196 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 1tn0 h ALA 196 CO 0.00 -0.32 -0.43 0.41 0.00 0.00 0.00 179.25 178.91 1tn0 n GLY 197 N -1.25 0.91 0.07 0.00 0.00 0.31 -4.88 105.19 100.36 1tn0 n GLY 197 Ca -0.02 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 1tn0 n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1tn0 h ILE 198 N 0.00 1.59 -3.53 -0.61 2.04 -1.13 -3.43 117.51 112.45 1tn0 h ILE 198 Ca -0.43 -1.75 -0.61 0.00 1.00 0.00 0.00 64.86 63.07 1tn0 h ILE 198 Cb 1.32 2.77 -0.12 0.00 -0.74 0.00 0.00 36.82 40.05 1tn0 h ILE 198 CO 0.58 0.46 -0.03 -0.69 0.00 0.00 0.00 178.15 178.47 1tn0 s VAL 199 N -3.25 5.09 0.73 1.67 1.01 0.95 -5.00 120.40 121.58 1tn0 s VAL 199 Ca -0.17 0.91 -0.16 0.00 0.00 0.00 0.00 61.98 62.56 1tn0 s VAL 199 Cb -0.01 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.58 1tn0 s VAL 199 CO 0.69 0.13 1.25 -2.16 0.00 0.00 0.00 175.10 175.00 1tn0 s PRO 200 N 2.01 2.11 0.24 2.72 0.04 -1.26 -3.98 135.00 136.88 1tn0 s PRO 200 Ca 0.22 1.89 -0.09 0.00 0.04 0.00 0.00 61.00 63.07 1tn0 s PRO 200 Cb -0.15 -1.81 0.39 0.00 0.04 0.00 0.00 34.50 32.96 1tn0 s PRO 200 CO 0.09 -1.89 1.62 1.25 0.04 0.00 0.00 177.00 178.11 1tn0 h LEU 201 N -0.17 -0.50 -1.44 -3.56 5.85 -1.96 -1.46 115.31 112.06 1tn0 h LEU 201 Ca -0.49 0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1tn0 h LEU 201 Cb 1.31 0.40 -0.04 0.00 0.37 0.00 0.00 40.66 42.71 1tn0 h LEU 201 CO 0.50 -0.21 0.42 -0.55 -0.34 0.00 0.00 178.44 178.25 1tn0 h ASN 202 N 0.05 0.63 0.86 1.25 -1.07 -1.94 0.89 115.58 116.25 1tn0 h ASN 202 Ca 0.39 -0.01 -0.20 0.00 0.07 0.00 0.00 56.30 56.55 1tn0 h ASN 202 Cb 0.66 -0.15 -0.02 0.00 -2.07 0.00 0.00 38.32 36.75 1tn0 h ASN 202 CO -0.72 0.43 -0.96 0.40 0.07 0.00 0.00 177.43 176.66 1tn0 h ILE 203 N 0.73 1.63 -0.38 6.14 2.04 -1.66 -2.92 117.51 123.08 1tn0 h ILE 203 Ca 0.25 -3.11 -0.15 0.00 1.00 0.00 0.00 64.86 62.85 1tn0 h ILE 203 Cb 0.10 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 1tn0 h ILE 203 CO -0.07 0.89 -0.35 -0.08 0.00 0.00 0.00 178.15 178.54 1tn0 h GLU 204 N 0.02 0.91 -0.47 2.37 4.81 -0.24 -0.79 114.58 121.19 1tn0 h GLU 204 Ca -0.03 -0.47 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 1tn0 h GLU 204 Cb 1.67 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.04 1tn0 h GLU 204 CO 0.13 1.12 0.19 1.15 -0.73 0.00 0.00 179.01 180.88 1tn0 h THR 205 N 0.72 1.20 -0.45 0.32 2.02 0.69 0.00 112.91 117.42 1tn0 h THR 205 Ca 0.06 -0.62 0.02 0.00 0.77 0.00 0.00 66.41 66.64 1tn0 h THR 205 Cb 0.94 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1tn0 h THR 205 CO 0.09 0.23 0.28 0.25 0.37 0.00 0.00 175.52 176.74 1tn0 h LEU 206 N 0.62 0.45 -0.78 2.58 5.85 -1.38 -0.27 115.31 122.38 1tn0 h LEU 206 Ca 0.16 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1tn0 h LEU 206 Cb 0.18 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1tn0 h LEU 206 CO -0.01 0.32 0.35 -0.07 -0.34 0.00 0.00 178.44 178.69 1tn0 h LEU 207 N 0.56 1.04 -0.58 2.25 3.38 -0.96 -2.04 115.31 118.96 1tn0 h LEU 207 Ca 0.18 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1tn0 h LEU 207 Cb -0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1tn0 h LEU 207 CO -0.07 0.91 -0.25 -0.26 0.09 0.00 0.00 178.44 178.86 1tn0 h PHE 208 N 1.11 1.00 -0.10 1.13 0.04 -0.51 -2.62 116.94 117.00 1tn0 h PHE 208 Ca 0.26 -0.25 -0.16 0.00 2.80 0.00 0.00 57.97 60.63 1tn0 h PHE 208 Cb 0.16 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 1tn0 h PHE 208 CO 0.01 1.02 -0.63 0.00 -0.60 0.00 0.00 178.31 178.12 1tn0 h MET 209 N 0.75 0.38 -0.41 1.51 -0.00 -0.90 0.06 114.93 116.31 1tn0 h MET 209 Ca 0.09 -0.27 -0.03 0.00 -0.00 0.00 0.00 59.70 59.50 1tn0 h MET 209 Cb 0.80 0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 32.42 1tn0 h MET 209 CO 0.07 0.88 0.13 0.28 -0.00 0.00 0.00 176.91 178.27 1tn0 h VAL 210 N 0.28 1.17 0.13 -0.10 2.07 -1.31 0.62 116.25 119.12 1tn0 h VAL 210 Ca -0.01 -0.59 -0.17 0.00 0.82 0.00 0.00 66.70 66.75 1tn0 h VAL 210 Cb 1.16 0.73 0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1tn0 h VAL 210 CO 0.11 0.22 -0.76 -0.07 0.02 0.00 0.00 177.57 177.08 1tn0 h LEU 211 N 0.59 0.42 -0.40 2.57 3.38 -1.34 -2.78 115.31 117.75 1tn0 h LEU 211 Ca 0.14 -0.95 0.03 0.00 0.09 0.00 0.00 57.88 57.19 1tn0 h LEU 211 Cb 0.18 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1tn0 h LEU 211 CO -0.01 1.37 0.19 0.44 0.09 0.00 0.00 178.44 180.52 1tn0 h ASP 212 N -0.43 0.27 -0.49 -0.43 5.19 -0.79 -0.36 116.42 119.38 1tn0 h ASP 212 Ca -0.14 0.02 -0.13 0.00 -0.62 0.00 0.00 57.03 56.17 1tn0 h ASP 212 Cb 1.59 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 41.06 1tn0 h ASP 212 CO 0.13 0.20 -0.21 0.58 -3.12 0.00 0.00 179.24 176.83 1tn0 h VAL 213 N 0.39 1.27 -0.28 -1.35 2.07 -1.01 -1.35 116.25 115.98 1tn0 h VAL 213 Ca 0.17 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.25 1tn0 h VAL 213 Cb 0.09 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1tn0 h VAL 213 CO -0.13 0.48 -0.08 0.28 0.02 0.00 0.00 177.57 178.14 1tn0 h SER 214 N 0.87 0.56 1.19 0.57 0.02 -1.33 -0.57 113.55 114.87 1tn0 h SER 214 Ca 0.11 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1tn0 h SER 214 Cb 0.79 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1tn0 h SER 214 CO 0.07 0.80 0.00 0.00 -1.14 0.00 0.00 176.83 176.56 1tn0 h ALA 215 N 0.77 1.00 0.00 3.77 0.00 -1.07 -1.64 119.26 122.10 1tn0 h ALA 215 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1tn0 h ALA 215 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1tn0 h ALA 215 CO 0.03 0.00 -0.13 1.63 0.00 0.00 0.00 179.25 180.78 1tn0 n LYS 216 N -2.56 0.07 0.00 0.00 5.02 -0.51 -4.10 118.16 116.08 1tn0 n LYS 216 Ca 0.03 0.03 -0.07 0.00 -2.02 0.00 0.00 58.31 56.28 1tn0 n LYS 216 Cb 0.35 -0.45 0.12 0.00 -0.02 0.00 0.00 35.03 35.03 1tn0 n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1tn0 h VAL 217 N -0.13 1.30 -0.34 -0.18 2.07 -1.45 0.36 116.25 117.88 1tn0 h VAL 217 Ca 0.00 -1.56 -0.05 0.00 0.82 0.00 0.00 66.70 65.91 1tn0 h VAL 217 Cb 0.13 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1tn0 h VAL 217 CO 0.00 0.49 0.01 1.23 0.02 0.00 0.00 177.57 179.32 1tn0 h GLY 218 N 1.07 0.64 0.81 2.17 0.00 -0.40 -1.86 103.07 105.50 1tn0 h GLY 218 Ca 0.04 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1tn0 h GLY 218 CO 0.08 0.43 -0.03 -2.75 0.00 0.00 0.00 176.54 174.27 1tn0 h PHE 219 N 0.41 0.42 0.13 5.60 3.04 -1.13 -3.06 116.94 122.34 1tn0 h PHE 219 Ca 0.10 -0.08 0.01 0.00 3.98 0.00 0.00 57.97 61.98 1tn0 h PHE 219 Cb 0.44 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 1tn0 h PHE 219 CO 0.03 0.61 -0.20 0.78 -2.02 0.00 0.00 178.31 177.51 1tn0 h GLY 220 N 0.11 -0.37 0.05 2.40 0.00 -0.26 -1.83 103.07 103.17 1tn0 h GLY 220 Ca 0.05 0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.64 1tn0 h GLY 220 CO 0.02 -0.18 -0.49 1.41 0.00 0.00 0.00 176.54 177.29 1tn0 h LEU 221 N -0.39 -1.51 -0.90 3.11 3.38 -1.39 0.36 115.31 117.98 1tn0 h LEU 221 Ca 0.02 0.18 0.16 0.00 0.09 0.00 0.00 57.88 58.33 1tn0 h LEU 221 Cb 0.39 0.58 -0.10 0.00 0.09 0.00 0.00 40.66 41.63 1tn0 h LEU 221 CO -0.09 -0.50 0.49 0.40 0.09 0.00 0.00 178.44 178.82 1tn0 h ILE 222 N -0.63 0.71 -0.02 1.22 2.04 -1.51 -1.75 117.51 117.56 1tn0 h ILE 222 Ca 0.03 -0.22 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 1tn0 h ILE 222 Cb 0.70 -0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1tn0 h ILE 222 CO -0.35 0.12 -0.40 0.25 0.00 0.00 0.00 178.15 177.77 1tn0 h LEU 223 N 0.66 0.40 -0.10 1.44 5.85 -0.47 -3.27 115.31 119.82 1tn0 h LEU 223 Ca 0.50 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1tn0 h LEU 223 Cb 0.74 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1tn0 h LEU 223 CO -0.38 1.07 0.00 0.18 -0.34 0.00 0.00 178.44 178.97 1tn0 n LEU 224 N -4.37 0.80 -1.07 2.25 4.77 0.12 -2.79 117.00 116.71 1tn0 n LEU 224 Ca -0.09 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.59 1tn0 n LEU 224 Cb 0.57 -0.35 0.24 0.00 -2.33 0.00 0.00 43.42 41.54 1tn0 n LEU 224 CO 0.43 -0.24 0.71 -2.11 -1.33 0.00 0.00 177.39 174.86 1tn0 n ARG 225 N -2.27 2.40 -2.47 3.23 1.85 -0.67 -4.93 116.66 113.79 1tn0 n ARG 225 Ca 0.05 -2.12 -0.26 0.00 -1.00 0.00 0.00 57.85 54.52 1tn0 n ARG 225 Cb 0.40 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.35 1tn0 n ARG 225 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1tn0 s SER 226 N -1.48 5.61 0.00 2.89 1.04 -1.12 -4.99 113.70 115.65 1tn0 s SER 226 Ca 0.38 0.64 0.22 0.00 0.48 0.00 0.00 55.95 57.67 1tn0 s SER 226 Cb 0.22 -1.66 -0.03 0.00 0.10 0.00 0.00 66.02 64.65 1tn0 s SER 226 CO 0.31 -1.02 1.05 0.54 0.98 0.00 0.00 173.24 175.09 1tn0 n ARG 227 N -2.52 0.25 0.05 4.02 1.74 -1.26 -4.27 116.66 114.68 1tn0 n ARG 227 Ca 0.04 -0.20 0.10 0.00 -0.77 0.00 0.00 57.85 57.02 1tn0 n ARG 227 Cb 0.58 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 30.93 1tn0 n ARG 227 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tn0 n ALA 228 N -1.20 1.75 0.19 7.54 0.00 -1.26 -2.99 120.51 124.53 1tn0 n ALA 228 Ca 0.06 -0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.57 1tn0 n ALA 228 Cb 0.36 -1.32 0.11 0.00 0.00 0.00 0.00 19.45 18.60 1tn0 n ALA 228 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1tn0 h ILE 229 N 0.00 0.37 -3.38 0.00 3.07 -1.84 -3.46 117.51 112.26 1tn0 h ILE 229 Ca 0.00 -1.51 -0.52 0.00 1.55 0.00 0.00 64.86 64.38 1tn0 h ILE 229 Cb 0.34 2.18 0.03 0.00 -0.27 0.00 0.00 36.82 39.09 1tn0 h ILE 229 CO 0.00 0.21 0.62 -0.36 -1.05 0.00 0.00 178.15 177.57 1tn0 s PHE 230 N -3.11 3.32 -1.87 0.16 0.40 -1.16 -3.24 117.98 112.49 1tn0 s PHE 230 Ca 0.06 1.27 0.00 0.00 -0.60 0.00 0.00 56.93 57.66 1tn0 s PHE 230 Cb 0.06 -3.54 0.00 0.00 0.51 0.00 0.00 43.02 40.05 1tn0 s PHE 230 CO 0.70 -1.66 0.47 0.41 0.70 0.00 0.00 175.22 175.83