#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 1.39 3.60 3.41 0.00 -1.26 -5.05 105.19 107.28 1tn0 n GLY 6 Ca 0.00 -0.33 -0.46 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.01 1.41 -0.31 1.61 1.74 -1.26 -4.86 116.66 113.98 1tn0 n ARG 7 Ca 0.00 0.50 0.25 0.00 -0.77 0.00 0.00 57.85 57.83 1tn0 n ARG 7 Cb 0.19 -1.96 0.47 0.00 -1.02 0.00 0.00 32.46 30.14 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 1.25 -0.06 -0.04 5.56 -0.02 -1.26 -0.53 135.00 139.89 1tn0 n PRO 8 Ca 0.11 1.34 0.08 0.00 -2.02 0.00 0.00 63.50 63.01 1tn0 n PRO 8 Cb 0.30 -2.31 0.38 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.31 0.21 -0.52 0.00 -1.26 -3.74 120.64 111.43 1tn0 n GLU 9 Ca 0.32 -0.48 0.04 0.00 0.00 0.00 0.00 57.16 57.04 1tn0 n GLU 9 Cb 1.06 -1.28 0.44 0.00 0.00 0.00 0.00 31.44 31.66 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 0.91 0.00 -0.72 -1.84 5.08 -1.14 -0.96 115.95 117.28 1tn0 h TRP 10 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 1tn0 h TRP 10 Cb 0.20 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.33 1tn0 h TRP 10 CO 0.06 0.28 0.40 0.97 -1.28 0.00 0.00 178.44 178.86 1tn0 h ILE 11 N 0.00 1.21 -0.04 0.12 6.09 -1.78 0.13 117.51 123.24 1tn0 h ILE 11 Ca -0.00 -0.51 -0.15 0.00 -1.37 0.00 0.00 64.86 62.82 1tn0 h ILE 11 Cb 0.49 0.23 -0.01 0.00 0.47 0.00 0.00 36.82 38.00 1tn0 h ILE 11 CO 0.04 0.23 -0.64 -0.50 -3.07 0.00 0.00 178.15 174.21 1tn0 h TRP 12 N 1.00 0.22 -0.09 2.19 -0.00 -1.46 -2.17 115.95 115.64 1tn0 h TRP 12 Ca 0.26 -0.09 -0.13 0.00 -0.00 0.00 0.00 58.89 58.93 1tn0 h TRP 12 Cb 0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.16 29.12 1tn0 h TRP 12 CO 0.01 0.76 -0.52 -0.07 -0.00 0.00 0.00 178.44 178.62 1tn0 h LEU 13 N 0.12 0.28 -0.63 -4.49 -0.00 -0.63 -1.79 115.31 108.16 1tn0 h LEU 13 Ca -0.01 -0.14 -0.14 0.00 -0.00 0.00 0.00 57.88 57.60 1tn0 h LEU 13 Cb 1.16 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.73 1tn0 h LEU 13 CO 0.10 0.75 -0.38 0.00 -0.00 0.00 0.00 178.44 178.90 1tn0 h ALA 14 N 1.26 0.81 0.00 1.53 0.00 -0.47 -1.87 119.26 120.52 1tn0 h ALA 14 Ca 0.01 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 1tn0 h ALA 14 Cb 0.98 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1tn0 h ALA 14 CO 0.08 0.65 -0.64 -0.07 0.00 0.00 0.00 179.25 179.27 1tn0 h LEU 15 N 0.54 0.00 -0.13 0.00 3.38 -1.24 -2.78 115.31 115.07 1tn0 h LEU 15 Ca 0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1tn0 h LEU 15 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1tn0 h LEU 15 CO 0.08 0.64 -0.40 1.23 0.09 0.00 0.00 178.44 180.07 1tn0 h GLY 16 N 2.80 0.55 0.99 0.83 0.00 -1.18 -1.48 103.07 105.59 1tn0 h GLY 16 Ca -0.01 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 1tn0 h GLY 16 CO 0.08 0.64 0.34 -0.84 0.00 0.00 0.00 176.54 176.75 1tn0 h THR 17 N 0.10 1.17 0.31 4.70 2.02 -1.41 -2.16 112.91 117.64 1tn0 h THR 17 Ca -0.01 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1tn0 h THR 17 Cb 1.03 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1tn0 h THR 17 CO 0.09 0.18 -0.15 0.00 0.37 0.00 0.00 175.52 176.01 1tn0 h ALA 18 N 1.16 -0.41 -0.60 6.16 0.00 -1.48 -1.17 119.26 122.92 1tn0 h ALA 18 Ca 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1tn0 h ALA 18 Cb -0.00 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1tn0 h ALA 18 CO -0.04 -0.68 0.34 -0.07 0.00 0.00 0.00 179.25 178.81 1tn0 h LEU 19 N -0.52 0.74 -1.37 0.00 3.38 -1.26 -2.34 115.31 113.93 1tn0 h LEU 19 Ca -0.04 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1tn0 h LEU 19 Cb 0.39 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1tn0 h LEU 19 CO 0.07 0.61 -0.20 0.24 0.09 0.00 0.00 178.44 179.25 1tn0 h MET 20 N 0.81 0.16 -0.14 1.13 2.86 -1.38 -1.61 114.93 116.77 1tn0 h MET 20 Ca 0.21 -0.04 -0.19 0.00 -2.06 0.00 0.00 59.70 57.62 1tn0 h MET 20 Cb 0.03 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1tn0 h MET 20 CO -0.04 0.37 -0.68 0.78 1.06 0.00 0.00 176.91 178.40 1tn0 h GLY 21 N 0.81 0.64 0.57 8.32 0.00 -0.89 -2.31 103.07 110.21 1tn0 h GLY 21 Ca 0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.51 1tn0 h GLY 21 CO 0.03 0.75 -0.05 1.41 0.00 0.00 0.00 176.54 178.68 1tn0 h LEU 22 N 0.42 -0.12 -0.99 3.11 3.38 -1.10 -2.87 115.31 117.14 1tn0 h LEU 22 Ca -0.02 -0.34 0.15 0.00 0.09 0.00 0.00 57.88 57.76 1tn0 h LEU 22 Cb 1.26 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.95 1tn0 h LEU 22 CO 0.13 0.30 0.61 1.23 0.09 0.00 0.00 178.44 180.79 1tn0 h GLY 23 N -0.58 1.68 0.70 0.83 0.00 -1.35 -1.48 103.07 102.88 1tn0 h GLY 23 Ca -0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1tn0 h GLY 23 CO 0.02 0.05 -0.32 -0.84 0.00 0.00 0.00 176.54 175.46 1tn0 h THR 24 N 0.87 0.34 -0.76 4.70 2.02 -1.37 -1.49 112.91 117.22 1tn0 h THR 24 Ca 0.53 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.70 1tn0 h THR 24 Cb 0.67 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1tn0 h THR 24 CO -0.32 0.00 0.44 -0.07 0.37 0.00 0.00 175.52 175.93 1tn0 h LEU 25 N -0.69 0.93 -0.66 2.58 3.38 -1.19 0.51 115.31 120.17 1tn0 h LEU 25 Ca -0.03 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1tn0 h LEU 25 Cb 0.62 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1tn0 h LEU 25 CO -0.04 0.74 0.21 0.22 0.09 0.00 0.00 178.44 179.66 1tn0 h TYR 26 N 1.05 1.07 -0.30 1.13 3.20 -1.19 0.12 116.97 122.05 1tn0 h TYR 26 Ca 0.27 -0.11 -0.16 0.00 3.14 0.00 0.00 58.73 61.87 1tn0 h TYR 26 Cb 0.00 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 37.96 1tn0 h TYR 26 CO -0.00 0.86 -0.43 0.74 -1.64 0.00 0.00 178.16 177.68 1tn0 h PHE 27 N 0.96 1.01 0.27 -3.82 0.04 -0.99 -1.00 116.94 113.41 1tn0 h PHE 27 Ca 0.21 -0.34 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1tn0 h PHE 27 Cb 0.30 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1tn0 h PHE 27 CO 0.02 1.14 -0.26 1.25 -0.60 0.00 0.00 178.31 179.86 1tn0 h LEU 28 N 0.58 -0.68 -0.42 1.54 6.46 -0.67 0.61 115.31 122.73 1tn0 h LEU 28 Ca 0.03 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 57.91 1tn0 h LEU 28 Cb 1.03 0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 41.14 1tn0 h LEU 28 CO 0.10 -0.38 0.13 0.58 -0.62 0.00 0.00 178.44 178.26 1tn0 h VAL 29 N -0.55 0.84 -0.20 1.05 2.07 -0.73 -1.60 116.25 117.13 1tn0 h VAL 29 Ca -0.01 -0.10 -0.14 0.00 0.82 0.00 0.00 66.70 67.27 1tn0 h VAL 29 Cb 0.51 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1tn0 h VAL 29 CO -0.05 0.05 -0.45 0.50 0.02 0.00 0.00 177.57 177.64 1tn0 h LYS 30 N 0.29 0.51 0.00 1.57 3.64 -1.04 -3.26 116.57 118.27 1tn0 h LYS 30 Ca 0.20 -0.28 -0.13 0.00 -1.27 0.00 0.00 60.65 59.17 1tn0 h LYS 30 Cb 0.21 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1tn0 h LYS 30 CO -0.22 0.86 -0.60 0.78 -2.27 0.00 0.00 179.45 178.01 1tn0 h GLY 31 N 1.10 0.00 -2.54 5.01 0.00 0.64 -3.25 103.07 104.03 1tn0 h GLY 31 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1tn0 h GLY 31 CO 0.08 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.65 1tn0 n MET 32 N -3.60 3.22 -0.14 4.80 2.81 -0.64 -3.33 117.12 120.24 1tn0 n MET 32 Ca -0.00 -2.20 0.05 0.00 -1.81 0.00 0.00 57.70 53.74 1tn0 n MET 32 Cb 0.65 -1.80 0.08 0.00 -0.71 0.00 0.00 33.22 31.43 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 0.86 3.12 3.35 3.03 0.00 -1.22 -4.99 105.19 109.34 1tn0 n GLY 33 Ca 0.20 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.76 3.15 -0.33 1.61 1.01 -1.21 -5.01 120.40 117.87 1tn0 s VAL 34 Ca 0.17 -0.61 0.22 0.00 0.00 0.00 0.00 61.98 61.76 1tn0 s VAL 34 Cb 0.15 -2.36 -0.31 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 0.00 175.10 174.68 1tn0 n SER 35 N 3.93 0.32 -4.74 3.32 3.41 -1.26 -4.85 113.62 113.74 1tn0 n SER 35 Ca -0.18 -0.31 -0.42 0.00 -0.26 0.00 0.00 58.87 57.70 1tn0 n SER 35 Cb 0.52 1.69 -0.02 0.00 -0.26 0.00 0.00 64.21 66.14 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 -4.04 6.62 0.27 4.04 2.15 -1.26 -4.93 116.67 119.52 1tn0 s ASP 36 Ca -0.03 2.67 -0.02 0.00 0.43 0.00 0.00 52.55 55.60 1tn0 s ASP 36 Cb 0.15 -2.62 0.38 0.00 -0.30 0.00 0.00 42.92 40.53 1tn0 s ASP 36 CO 0.90 -0.75 1.83 -0.65 -0.17 0.00 0.00 175.17 176.32 1tn0 h PRO 37 N 5.51 0.87 0.21 4.34 0.11 -1.98 0.01 132.00 141.07 1tn0 h PRO 37 Ca -0.45 -0.17 -0.31 0.00 0.11 0.00 0.00 66.00 65.18 1tn0 h PRO 37 Cb 1.21 -0.14 0.03 0.00 0.11 0.00 0.00 31.00 32.21 1tn0 h PRO 37 CO 0.82 0.77 -1.39 -0.44 -0.21 0.00 0.00 178.00 177.54 1tn0 h ASP 38 N 0.85 0.68 -0.84 -2.05 3.32 -1.92 -2.72 116.42 113.73 1tn0 h ASP 38 Ca 0.19 -0.73 0.03 0.00 0.02 0.00 0.00 57.03 56.54 1tn0 h ASP 38 Cb 0.27 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1tn0 h ASP 38 CO -0.01 1.57 0.54 0.00 -1.72 0.00 0.00 179.24 179.63 1tn0 h ALA 39 N 0.33 1.11 -0.91 3.45 0.00 -1.51 -0.73 119.26 120.99 1tn0 h ALA 39 Ca -0.21 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.74 1tn0 h ALA 39 Cb 2.09 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 19.53 1tn0 h ALA 39 CO 0.25 0.39 0.59 0.87 0.00 0.00 0.00 179.25 181.35 1tn0 h LYS 40 N 1.07 0.97 0.82 0.00 1.79 -0.93 -0.22 116.57 120.07 1tn0 h LYS 40 Ca 0.33 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.71 1tn0 h LYS 40 Cb -0.01 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.43 1tn0 h LYS 40 CO -0.11 0.64 -0.43 -0.22 -1.08 0.00 0.00 179.45 178.25 1tn0 h LYS 41 N 1.00 -1.11 -0.69 3.15 3.64 -0.82 -0.03 116.57 121.70 1tn0 h LYS 41 Ca 0.40 0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.85 1tn0 h LYS 41 Cb 0.27 0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1tn0 h LYS 41 CO -0.16 -0.74 0.40 0.74 -2.27 0.00 0.00 179.45 177.42 1tn0 h PHE 42 N -1.15 0.90 -0.33 1.91 0.04 -1.18 -2.01 116.94 115.12 1tn0 h PHE 42 Ca -0.11 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.53 1tn0 h PHE 42 Cb 0.90 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 1tn0 h PHE 42 CO -0.05 0.61 -0.31 1.88 -0.60 0.00 0.00 178.31 179.84 1tn0 h TYR 43 N 0.95 0.95 -0.28 -0.55 0.05 -0.89 -1.11 116.97 116.08 1tn0 h TYR 43 Ca 0.25 -0.28 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1tn0 h TYR 43 Cb -0.02 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.50 1tn0 h TYR 43 CO 0.00 1.06 0.15 0.00 -1.05 0.00 0.00 178.16 178.32 1tn0 h ALA 44 N 0.74 0.36 0.81 3.88 0.00 -0.75 -1.27 119.26 123.03 1tn0 h ALA 44 Ca 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1tn0 h ALA 44 Cb 0.89 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1tn0 h ALA 44 CO 0.08 -0.11 -0.39 0.82 0.00 0.00 0.00 179.25 179.66 1tn0 h ILE 45 N 0.33 0.19 -0.54 0.00 2.04 -1.32 -2.90 117.51 115.31 1tn0 h ILE 45 Ca 0.10 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1tn0 h ILE 45 Cb 0.07 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 1tn0 h ILE 45 CO -0.02 0.00 0.33 0.74 0.00 0.00 0.00 178.15 179.20 1tn0 h THR 46 N -1.12 1.05 0.00 -0.27 2.02 -1.20 -2.34 112.91 111.05 1tn0 h THR 46 Ca -0.11 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1tn0 h THR 46 Cb 0.84 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1tn0 h THR 46 CO 0.18 0.12 0.00 0.74 0.37 0.00 0.00 175.52 176.93 1tn0 h THR 47 N 0.64 0.00 0.06 3.16 2.02 -1.26 -1.53 112.91 116.01 1tn0 h THR 47 Ca 0.22 -0.18 -0.24 0.00 0.77 0.00 0.00 66.41 66.98 1tn0 h THR 47 Cb 0.03 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1tn0 h THR 47 CO -0.10 0.00 -1.13 0.25 0.37 0.00 0.00 175.52 174.91 1tn0 h LEU 48 N 0.00 0.21 0.42 2.58 5.85 -1.21 -3.36 115.31 119.80 1tn0 h LEU 48 Ca 0.00 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1tn0 h LEU 48 Cb 0.20 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1tn0 h LEU 48 CO 0.00 1.18 -0.23 0.58 -0.34 0.00 0.00 178.44 179.63 1tn0 h VAL 49 N 0.04 0.53 -0.45 1.05 2.07 -1.18 -3.21 116.25 115.09 1tn0 h VAL 49 Ca -0.07 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1tn0 h VAL 49 Cb 1.87 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1tn0 h VAL 49 CO 0.17 0.00 0.06 1.55 0.02 0.00 0.00 177.57 179.37 1tn0 h PRO 50 N -0.60 0.70 -0.83 1.57 0.13 -1.71 -3.05 132.00 128.20 1tn0 h PRO 50 Ca -0.05 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 1tn0 h PRO 50 Cb 0.48 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.47 1tn0 h PRO 50 CO 0.07 0.68 0.45 -1.00 -0.23 0.00 0.00 178.00 177.97 1tn0 h PRO 51 N 0.68 1.17 -0.59 1.56 0.13 -1.71 -0.03 132.00 133.20 1tn0 h PRO 51 Ca 0.15 -0.14 0.05 0.00 -0.87 0.00 0.00 66.00 65.19 1tn0 h PRO 51 Cb 0.33 -0.23 -0.05 0.00 0.13 0.00 0.00 31.00 31.18 1tn0 h PRO 51 CO 0.01 0.86 0.32 0.82 -0.23 0.00 0.00 178.00 179.78 1tn0 h ILE 52 N 1.16 0.96 -0.33 -3.56 2.04 -1.55 -0.75 117.51 115.48 1tn0 h ILE 52 Ca 0.29 -0.21 -0.10 0.00 1.00 0.00 0.00 64.86 65.85 1tn0 h ILE 52 Cb 0.04 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1tn0 h ILE 52 CO -0.05 0.11 -0.21 0.00 0.00 0.00 0.00 178.15 178.00 1tn0 h ALA 53 N 1.31 1.02 0.24 1.87 0.00 -1.36 -2.86 119.26 119.49 1tn0 h ALA 53 Ca 0.26 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1tn0 h ALA 53 Cb 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1tn0 h ALA 53 CO -0.17 0.58 -0.11 0.35 0.00 0.00 0.00 179.25 179.90 1tn0 h PHE 54 N 0.55 -0.30 -0.61 0.00 3.57 0.02 -0.60 116.94 119.57 1tn0 h PHE 54 Ca 0.08 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1tn0 h PHE 54 Cb 0.66 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 1tn0 h PHE 54 CO 0.03 -0.16 0.24 1.79 -2.23 0.00 0.00 178.31 177.98 1tn0 h THR 55 N -0.35 1.23 0.00 4.41 1.35 -1.18 0.71 112.91 119.08 1tn0 h THR 55 Ca -0.03 -0.74 -0.05 0.00 -0.55 0.00 0.00 66.41 65.04 1tn0 h THR 55 Cb 0.27 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 67.26 1tn0 h THR 55 CO 0.05 0.29 -0.25 0.24 -0.25 0.00 0.00 175.52 175.61 1tn0 h MET 56 N 0.86 0.00 0.02 4.72 2.86 -1.43 -0.97 114.93 120.98 1tn0 h MET 56 Ca 0.20 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.59 1tn0 h MET 56 Cb 0.22 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.89 1tn0 h MET 56 CO -0.01 0.25 -1.03 1.88 1.06 0.00 0.00 176.91 179.05 1tn0 h TYR 57 N 0.00 0.83 0.52 -0.22 0.05 -0.53 -3.06 116.97 114.58 1tn0 h TYR 57 Ca -0.00 -0.47 -0.02 0.00 0.05 0.00 0.00 58.73 58.29 1tn0 h TYR 57 Cb 0.45 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.10 1tn0 h TYR 57 CO 0.00 1.30 -0.28 1.25 -1.05 0.00 0.00 178.16 179.38 1tn0 h LEU 58 N 0.30 -0.67 -0.69 3.88 6.46 -0.20 -0.54 115.31 123.86 1tn0 h LEU 58 Ca -0.11 0.03 0.13 0.00 -0.12 0.00 0.00 57.88 57.81 1tn0 h LEU 58 Cb 1.68 0.18 -0.09 0.00 -0.73 0.00 0.00 40.66 41.70 1tn0 h LEU 58 CO 0.19 -0.45 0.21 0.28 -0.62 0.00 0.00 178.44 178.04 1tn0 h SER 59 N -0.74 0.12 -0.36 1.25 0.02 -1.30 0.47 113.55 113.01 1tn0 h SER 59 Ca -0.07 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1tn0 h SER 59 Cb 0.58 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1tn0 h SER 59 CO 0.10 0.04 0.10 0.24 -1.14 0.00 0.00 176.83 176.17 1tn0 h MET 60 N 0.34 0.56 -0.35 3.45 2.86 -1.41 0.71 114.93 121.09 1tn0 h MET 60 Ca 0.37 -0.13 0.04 0.00 -2.06 0.00 0.00 59.70 57.93 1tn0 h MET 60 Cb 0.57 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 1tn0 h MET 60 CO -0.42 0.59 0.12 1.25 1.06 0.00 0.00 176.91 179.51 1tn0 h LEU 61 N 0.43 0.13 0.00 1.22 5.85 0.17 -1.05 115.31 122.07 1tn0 h LEU 61 Ca 0.12 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1tn0 h LEU 61 Cb 0.27 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1tn0 h LEU 61 CO -0.00 0.11 0.00 0.18 -0.34 0.00 0.00 178.44 178.39 1tn0 n LEU 62 N -5.02 0.00 0.00 2.25 4.77 0.15 -4.90 117.00 114.26 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 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1tn0 n LEU 62 CO 0.27 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1tn0 n GLY 63 N 0.65 0.80 4.00 -0.72 0.00 0.16 -5.01 105.19 105.06 1tn0 n GLY 63 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 1.35 -1.71 1.61 1.51 0.20 -4.66 117.35 113.66 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 -2.11 0.00 0.00 -0.11 0.00 0.00 41.96 39.74 1tn0 s TYR 64 CO 0.00 -1.02 0.09 0.41 -1.11 0.00 0.00 175.55 173.92 1tn0 n GLY 65 N -2.14 -0.47 2.99 0.71 0.00 -1.26 -3.82 105.19 101.20 1tn0 n GLY 65 Ca 0.11 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.94 1.84 -0.02 0.99 2.96 -1.26 -1.08 118.68 116.17 1tn0 s LEU 66 Ca 0.04 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 53.71 1tn0 s LEU 66 Cb -0.02 -0.48 0.01 0.00 0.50 0.00 0.00 46.19 46.20 1tn0 s LEU 66 CO 0.05 0.07 0.17 0.28 -1.32 0.00 0.00 176.35 175.60 1tn0 s THR 67 N 0.10 0.06 -0.39 3.68 -1.32 -0.34 -4.95 115.64 112.48 1tn0 s THR 67 Ca -0.01 -0.49 -0.20 0.00 -1.21 0.00 0.00 61.69 59.78 1tn0 s THR 67 Cb -0.07 -0.41 0.01 0.00 -1.51 0.00 0.00 72.50 70.52 1tn0 s THR 67 CO 0.00 -0.27 0.59 -0.04 -2.21 0.00 0.00 174.62 172.69 1tn0 s MET 68 N -1.00 3.46 -0.18 7.08 1.00 -1.25 -0.16 119.30 128.25 1tn0 s MET 68 Ca -0.11 -0.24 -0.05 0.00 0.00 0.00 0.00 55.69 55.30 1tn0 s MET 68 Cb -0.06 -3.87 -0.03 0.00 0.00 0.00 0.00 34.83 30.87 1tn0 s MET 68 CO 0.01 -0.82 -0.01 0.08 0.00 0.00 0.00 175.02 174.28 1tn0 s VAL 69 N 2.61 3.99 0.08 -6.03 1.01 0.30 -4.80 120.40 117.56 1tn0 s VAL 69 Ca 0.21 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1tn0 s VAL 69 Cb -0.15 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1tn0 s VAL 69 CO 0.16 0.46 0.98 -2.16 0.00 0.00 0.00 175.10 174.53 1tn0 s PRO 70 N 0.71 4.65 0.00 2.72 0.04 -1.26 0.06 135.00 141.92 1tn0 s PRO 70 Ca -0.01 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1tn0 s PRO 70 Cb -0.14 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1tn0 s PRO 70 CO 0.02 0.13 0.00 1.97 0.04 0.00 0.00 177.00 179.16 1tn0 n PHE 71 N 3.08 0.00 -1.05 0.56 1.16 -0.69 -4.52 117.46 116.01 1tn0 n PHE 71 Ca 0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.60 1tn0 n PHE 71 Cb 0.49 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.36 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 -0.34 0.53 2.13 4.97 0.00 -1.26 -2.69 105.19 108.53 1tn0 n GLY 72 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.44 1.62 3.67 -0.02 0.00 -1.26 -5.02 105.19 101.75 1tn0 n GLY 73 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.29 2.22 -0.59 1.61 0.41 -1.09 -5.08 118.70 115.90 1tn0 s GLU 74 Ca 0.00 -1.61 -0.13 0.00 -0.41 0.00 0.00 54.97 52.81 1tn0 s GLU 74 Cb 0.00 -2.06 0.15 0.00 -1.78 0.00 0.00 34.13 30.44 1tn0 s GLU 74 CO 0.00 0.17 0.52 -1.14 -0.49 0.00 0.00 175.26 174.32 1tn0 s GLN 75 N -3.75 2.98 0.06 1.61 2.00 -1.26 -1.71 119.66 119.58 1tn0 s GLN 75 Ca 0.35 -1.92 -0.17 0.00 -2.00 0.00 0.00 55.36 51.63 1tn0 s GLN 75 Cb -0.02 -4.21 -0.06 0.00 0.80 0.00 0.00 33.01 29.51 1tn0 s GLN 75 CO 0.21 -1.28 0.51 -0.80 -0.50 0.00 0.00 175.29 173.42 1tn0 s ASN 76 N 2.95 6.94 -0.54 6.67 -0.87 0.11 -4.79 114.94 125.41 1tn0 s ASN 76 Ca 0.07 1.13 -0.25 0.00 -1.57 0.00 0.00 52.86 52.24 1tn0 s ASN 76 Cb -0.25 -2.31 0.04 0.00 -0.02 0.00 0.00 41.25 38.71 1tn0 s ASN 76 CO -0.01 0.27 0.99 -2.16 -2.57 0.00 0.00 177.10 173.62 1tn0 s PRO 77 N -1.23 3.39 -0.24 -0.60 0.04 -1.26 0.11 135.00 135.21 1tn0 s PRO 77 Ca 0.28 -0.11 -0.06 0.00 0.04 0.00 0.00 61.00 61.16 1tn0 s PRO 77 Cb -0.18 -4.03 -0.01 0.00 0.04 0.00 0.00 34.50 30.32 1tn0 s PRO 77 CO 0.17 -1.49 0.02 0.42 0.04 0.00 0.00 177.00 176.16 1tn0 s ILE 78 N 4.11 3.82 -1.00 0.56 -1.09 0.78 -4.89 121.20 123.49 1tn0 s ILE 78 Ca 0.34 -0.39 -0.21 0.00 -2.23 0.00 0.00 60.65 58.16 1tn0 s ILE 78 Cb -0.11 -2.79 0.09 0.00 -1.58 0.00 0.00 42.46 38.07 1tn0 s ILE 78 CO 0.21 0.34 1.33 -0.31 -1.23 0.00 0.00 174.94 175.29 1tn0 s TYR 79 N 1.54 2.83 -0.66 3.97 2.02 -1.26 -1.20 117.35 124.58 1tn0 s TYR 79 Ca 0.06 -1.16 0.25 0.00 -0.37 0.00 0.00 57.07 55.85 1tn0 s TYR 79 Cb -0.15 -4.51 0.88 0.00 -0.40 0.00 0.00 41.96 37.77 1tn0 s TYR 79 CO 0.00 -1.72 1.76 -2.67 -1.57 0.00 0.00 175.55 171.35 1tn0 n TRP 80 N 7.76 0.86 0.30 2.71 4.27 -0.24 -2.44 117.44 130.66 1tn0 n TRP 80 Ca 0.30 0.28 0.17 0.00 -3.89 0.00 0.00 57.50 54.36 1tn0 n TRP 80 Cb 0.50 -0.95 0.93 0.00 -1.36 0.00 0.00 31.31 30.43 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 2.46 1.18 -0.73 -1.67 0.00 -1.75 -0.93 119.26 117.82 1tn0 h ALA 81 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1tn0 h ALA 81 Cb 0.61 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1tn0 h ALA 81 CO 0.00 0.05 0.48 0.00 0.00 0.00 0.00 179.25 179.77 1tn0 h ARG 82 N 0.00 0.83 0.00 0.00 3.08 -1.75 -2.37 114.38 114.17 1tn0 h ARG 82 Ca -0.00 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 1tn0 h ARG 82 Cb 0.18 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1tn0 h ARG 82 CO 0.00 0.55 -0.69 1.88 -1.07 0.00 0.00 179.97 180.64 1tn0 h TYR 83 N 0.85 0.00 0.00 3.04 0.05 -1.38 -2.41 116.97 117.12 1tn0 h TYR 83 Ca 0.30 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.03 1tn0 h TYR 83 Cb 0.11 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 1tn0 h TYR 83 CO -0.00 0.66 -0.22 0.00 -1.05 0.00 0.00 178.16 177.55 1tn0 h ALA 84 N 1.34 1.02 0.00 3.88 0.00 -1.40 -0.08 119.26 124.03 1tn0 h ALA 84 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1tn0 h ALA 84 Cb 1.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1tn0 h ALA 84 CO 0.08 0.28 -0.06 0.22 0.00 0.00 0.00 179.25 179.78 1tn0 h ASP 85 N 0.00 0.00 0.02 0.00 1.82 -1.40 -3.38 116.42 113.48 1tn0 h ASP 85 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1tn0 h ASP 85 Cb 0.74 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.75 1tn0 h ASP 85 CO 0.03 0.44 -0.02 -0.50 -1.61 0.00 0.00 179.24 177.58 1tn0 h TRP 86 N -0.82 0.00 -0.67 0.28 6.55 -1.43 -2.22 115.95 117.63 1tn0 h TRP 86 Ca 0.00 0.00 0.14 0.00 0.95 0.00 0.00 58.89 59.98 1tn0 h TRP 86 Cb 0.06 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.32 1tn0 h TRP 86 CO -0.02 0.02 0.46 1.25 -1.05 0.00 0.00 178.44 179.09 1tn0 h LEU 87 N 0.00 0.32 0.00 -4.49 5.85 -1.18 -1.96 115.31 113.85 1tn0 h LEU 87 Ca -0.00 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 1tn0 h LEU 87 Cb 0.03 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1tn0 h LEU 87 CO 0.00 0.17 -2.00 0.49 -0.34 0.00 0.00 178.44 176.76 1tn0 n PHE 88 N -4.46 0.00 0.01 1.25 3.72 -0.88 -4.45 117.46 112.64 1tn0 n PHE 88 Ca 0.12 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.41 1tn0 n PHE 88 Cb 0.50 -0.60 -0.14 0.00 -0.94 0.00 0.00 39.48 38.30 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 1.01 -0.39 4.37 1.35 -1.28 -3.25 112.91 114.72 1tn0 h THR 89 Ca -0.18 -2.79 -0.12 0.00 -0.55 0.00 0.00 66.41 62.77 1tn0 h THR 89 Cb 1.33 2.56 -0.01 0.00 -1.73 0.00 0.00 68.15 70.30 1tn0 h THR 89 CO 0.01 0.67 -0.22 0.71 -0.25 0.00 0.00 175.52 176.45 1tn0 h THR 90 N 0.02 1.28 0.00 6.82 1.35 -1.61 -2.53 112.91 118.24 1tn0 h THR 90 Ca -0.25 -1.36 -0.10 0.00 -0.55 0.00 0.00 66.41 64.15 1tn0 h THR 90 Cb 1.98 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 69.70 1tn0 h THR 90 CO 0.10 0.45 -0.48 1.55 -0.25 0.00 0.00 175.52 176.90 1tn0 h PRO 91 N 0.64 0.00 -0.16 4.72 0.13 -1.77 -1.78 132.00 133.78 1tn0 h PRO 91 Ca 0.08 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.11 1tn0 h PRO 91 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 1tn0 h PRO 91 CO 0.06 0.48 -0.35 -0.07 -0.23 0.00 0.00 178.00 177.88 1tn0 h LEU 92 N 0.00 0.33 -0.32 1.56 3.38 -1.58 -0.92 115.31 117.77 1tn0 h LEU 92 Ca -0.00 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1tn0 h LEU 92 Cb 0.84 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1tn0 h LEU 92 CO 0.06 0.67 -0.36 -0.07 0.09 0.00 0.00 178.44 178.83 1tn0 h LEU 93 N 0.28 0.87 -0.32 1.67 3.38 -1.05 -1.72 115.31 118.42 1tn0 h LEU 93 Ca 0.03 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1tn0 h LEU 93 Cb 0.76 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1tn0 h LEU 93 CO 0.06 1.18 0.16 -0.07 0.09 0.00 0.00 178.44 179.85 1tn0 h LEU 94 N 0.58 0.42 -0.63 1.67 4.07 -1.11 -1.98 115.31 118.34 1tn0 h LEU 94 Ca 0.05 -0.12 0.03 0.00 0.08 0.00 0.00 57.88 57.92 1tn0 h LEU 94 Cb 0.95 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 42.54 1tn0 h LEU 94 CO 0.09 0.42 0.38 0.25 -1.08 0.00 0.00 178.44 178.50 1tn0 h LEU 95 N 0.39 0.61 -1.11 1.67 5.85 -1.15 0.31 115.31 121.88 1tn0 h LEU 95 Ca 0.11 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1tn0 h LEU 95 Cb 0.11 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1tn0 h LEU 95 CO -0.01 0.42 0.60 0.44 -0.34 0.00 0.00 178.44 179.55 1tn0 h ASP 96 N 0.74 0.96 0.16 1.25 5.19 -0.90 0.14 116.42 123.96 1tn0 h ASP 96 Ca 0.26 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.43 1tn0 h ASP 96 Cb 0.05 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 39.36 1tn0 h ASP 96 CO -0.11 0.63 -0.97 -0.07 -3.12 0.00 0.00 179.24 175.59 1tn0 h LEU 97 N 1.09 0.72 -0.98 1.55 3.38 -0.59 -3.21 115.31 117.27 1tn0 h LEU 97 Ca 0.39 -0.57 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1tn0 h LEU 97 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1tn0 h LEU 97 CO -0.14 1.37 -0.25 0.00 0.09 0.00 0.00 178.44 179.50 1tn0 h ALA 98 N 0.59 1.14 -0.04 1.53 0.00 0.35 -2.73 119.26 120.09 1tn0 h ALA 98 Ca -0.10 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 1tn0 h ALA 98 Cb 1.61 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1tn0 h ALA 98 CO 0.18 0.54 -0.65 -0.07 0.00 0.00 0.00 179.25 179.25 1tn0 h LEU 99 N 0.39 0.19 -0.61 0.00 3.38 -0.83 -0.12 115.31 117.71 1tn0 h LEU 99 Ca 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1tn0 h LEU 99 Cb 0.66 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1tn0 h LEU 99 CO 0.05 0.79 0.34 0.25 0.09 0.00 0.00 178.44 179.96 1tn0 h LEU 100 N 0.12 0.75 -2.35 1.67 5.85 -1.49 -2.95 115.31 116.91 1tn0 h LEU 100 Ca -0.01 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1tn0 h LEU 100 Cb 1.17 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1tn0 h LEU 100 CO 0.10 0.61 0.00 1.33 -0.34 0.00 0.00 178.44 180.14 1tn0 n VAL 101 N -4.59 0.75 -3.46 1.05 0.24 -1.17 -4.95 118.33 106.20 1tn0 n VAL 101 Ca 0.04 -0.83 -0.18 0.00 -2.04 0.00 0.00 64.34 61.33 1tn0 n VAL 101 Cb 0.07 0.59 0.09 0.00 -1.47 0.00 0.00 33.84 33.12 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 1.41 -2.95 -4.71 -1.34 2.03 -1.11 -4.45 116.55 105.43 1tn0 n ASP 102 Ca 0.21 -0.60 -0.34 0.00 0.52 0.00 0.00 54.79 54.58 1tn0 n ASP 102 Cb 0.56 -5.08 0.11 0.00 -0.72 0.00 0.00 41.12 35.99 1tn0 n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1tn0 s ALA 103 N -3.35 1.99 0.61 -1.67 0.00 -0.07 -4.99 121.76 114.28 1tn0 s ALA 103 Ca 0.12 0.96 -0.09 0.00 0.00 0.00 0.00 51.96 52.95 1tn0 s ALA 103 Cb -0.05 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 1tn0 s ALA 103 CO 0.73 -2.10 0.97 -0.51 0.00 0.00 0.00 175.76 174.85 1tn0 s ASP 104 N -1.92 5.88 0.35 0.00 1.01 -1.26 -4.91 116.67 115.82 1tn0 s ASP 104 Ca 0.76 1.09 0.06 0.00 0.71 0.00 0.00 52.55 55.17 1tn0 s ASP 104 Cb -0.31 -2.11 0.73 0.00 1.01 0.00 0.00 42.92 42.23 1tn0 s ASP 104 CO 0.47 -0.99 1.94 -0.61 0.21 0.00 0.00 175.17 176.20 1tn0 h GLN 105 N -0.28 0.76 -0.43 8.23 4.15 -2.00 -1.89 115.11 123.66 1tn0 h GLN 105 Ca -0.45 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 58.82 1tn0 h GLN 105 Cb 1.22 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 1tn0 h GLN 105 CO 0.62 0.50 -0.15 0.78 -1.93 0.00 0.00 178.83 178.65 1tn0 h GLY 106 N 0.78 0.93 0.94 2.39 0.00 -1.99 -2.00 103.07 104.12 1tn0 h GLY 106 Ca 0.33 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 1tn0 h GLY 106 CO -0.12 0.73 -0.11 -0.84 0.00 0.00 0.00 176.54 176.20 1tn0 h THR 107 N 0.68 0.77 0.26 4.70 2.02 -1.78 -0.15 112.91 119.41 1tn0 h THR 107 Ca 0.10 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 1tn0 h THR 107 Cb 0.70 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1tn0 h THR 107 CO 0.05 0.00 -0.23 0.40 0.37 0.00 0.00 175.52 176.11 1tn0 h ILE 108 N -0.28 0.51 -0.74 3.11 2.04 -1.36 0.51 117.51 121.30 1tn0 h ILE 108 Ca -0.02 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.95 1tn0 h ILE 108 Cb 0.23 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 36.74 1tn0 h ILE 108 CO 0.02 0.00 0.36 0.25 0.00 0.00 0.00 178.15 178.78 1tn0 h LEU 109 N -0.51 0.46 -0.50 1.44 6.46 -1.30 0.17 115.31 121.53 1tn0 h LEU 109 Ca -0.01 0.07 -0.16 0.00 -0.12 0.00 0.00 57.88 57.66 1tn0 h LEU 109 Cb 0.46 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 1tn0 h LEU 109 CO -0.03 0.25 -0.55 0.00 -0.62 0.00 0.00 178.44 177.48 1tn0 h ALA 110 N 1.46 0.68 -0.41 1.25 0.00 -0.47 0.59 119.26 122.36 1tn0 h ALA 110 Ca 0.37 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1tn0 h ALA 110 Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1tn0 h ALA 110 CO -0.30 0.69 0.07 -0.07 0.00 0.00 0.00 179.25 179.64 1tn0 h LEU 111 N 0.45 0.65 -0.53 0.00 3.38 0.11 -0.18 115.31 119.19 1tn0 h LEU 111 Ca 0.01 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 1tn0 h LEU 111 Cb 1.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1tn0 h LEU 111 CO 0.10 0.74 -0.20 0.58 0.09 0.00 0.00 178.44 179.75 1tn0 h VAL 112 N 0.53 1.27 0.28 1.22 2.07 -0.69 -1.43 116.25 119.50 1tn0 h VAL 112 Ca 0.13 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 1tn0 h VAL 112 Cb 0.36 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1tn0 h VAL 112 CO 0.01 0.47 -0.14 1.23 0.02 0.00 0.00 177.57 179.16 1tn0 h GLY 113 N 0.89 -0.40 0.26 2.17 0.00 -0.76 -1.05 103.07 104.18 1tn0 h GLY 113 Ca 0.11 0.15 0.22 0.00 0.00 0.00 0.00 47.33 47.81 1tn0 h GLY 113 CO 0.06 -0.15 0.61 0.00 0.00 0.00 0.00 176.54 177.07 1tn0 h ALA 114 N -0.00 2.30 -0.01 3.60 0.00 -0.99 0.62 119.26 124.77 1tn0 h ALA 114 Ca -0.04 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1tn0 h ALA 114 Cb 0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1tn0 h ALA 114 CO 0.06 -0.59 -0.60 0.22 0.00 0.00 0.00 179.25 178.34 1tn0 h ASP 115 N 0.35 0.05 -0.21 0.00 1.82 -1.01 -2.61 116.42 114.81 1tn0 h ASP 115 Ca 0.47 -0.03 -0.14 0.00 -0.39 0.00 0.00 57.03 56.94 1tn0 h ASP 115 Cb 1.27 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1tn0 h ASP 115 CO -0.16 0.64 -0.41 1.23 -1.61 0.00 0.00 179.24 178.94 1tn0 h GLY 116 N 1.74 0.71 1.02 -0.78 0.00 0.15 -3.07 103.07 102.84 1tn0 h GLY 116 Ca -0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 1tn0 h GLY 116 CO 0.08 0.75 0.51 -2.22 0.00 0.00 0.00 176.54 175.66 1tn0 h ILE 117 N 0.34 1.24 -0.56 2.60 2.04 -1.17 -2.35 117.51 119.65 1tn0 h ILE 117 Ca 0.01 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1tn0 h ILE 117 Cb 1.01 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1tn0 h ILE 117 CO 0.09 0.26 0.31 -0.03 0.00 0.00 0.00 178.15 178.79 1tn0 h MET 118 N 1.20 0.78 0.02 2.37 4.05 -1.46 -0.39 114.93 121.51 1tn0 h MET 118 Ca 0.31 -0.09 -0.21 0.00 -0.28 0.00 0.00 59.70 59.43 1tn0 h MET 118 Cb -0.03 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.60 1tn0 h MET 118 CO -0.06 0.60 -0.97 0.82 0.23 0.00 0.00 176.91 177.53 1tn0 h ILE 119 N 0.76 1.60 0.02 1.77 1.08 -1.52 -2.63 117.51 118.59 1tn0 h ILE 119 Ca 0.20 -3.02 -0.00 0.00 -0.39 0.00 0.00 64.86 61.65 1tn0 h ILE 119 Cb 0.04 2.69 0.00 0.00 -3.07 0.00 0.00 36.82 36.48 1tn0 h ILE 119 CO -0.03 0.87 -0.01 1.23 -0.69 0.00 0.00 178.15 179.52 1tn0 h GLY 120 N 2.35 -0.03 1.61 5.37 0.00 -1.24 -1.02 103.07 110.10 1tn0 h GLY 120 Ca -0.04 0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 1tn0 h GLY 120 CO 0.14 -0.01 -0.45 -0.91 0.00 0.00 0.00 176.54 175.30 1tn0 h THR 121 N -0.53 1.32 -0.68 4.70 1.35 -1.20 -1.71 112.91 116.16 1tn0 h THR 121 Ca -0.00 -1.64 0.01 0.00 -0.55 0.00 0.00 66.41 64.23 1tn0 h THR 121 Cb 0.50 1.68 -0.03 0.00 -1.73 0.00 0.00 68.15 68.56 1tn0 h THR 121 CO 0.01 0.50 0.45 1.23 -0.25 0.00 0.00 175.52 177.46 1tn0 h GLY 122 N 1.16 0.96 1.07 5.82 0.00 -1.47 0.93 103.07 111.54 1tn0 h GLY 122 Ca 0.02 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 1tn0 h GLY 122 CO 0.08 0.34 -0.07 -2.00 0.00 0.00 0.00 176.54 174.90 1tn0 h LEU 123 N 0.91 0.99 -0.97 3.11 5.85 -0.97 0.42 115.31 124.66 1tn0 h LEU 123 Ca 0.25 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1tn0 h LEU 123 Cb -0.09 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.63 1tn0 h LEU 123 CO -0.06 1.09 0.29 0.58 -0.34 0.00 0.00 178.44 180.01 1tn0 h VAL 124 N 0.87 1.24 -0.25 1.05 2.07 -0.93 -1.24 116.25 119.06 1tn0 h VAL 124 Ca 0.14 -0.73 -0.17 0.00 0.82 0.00 0.00 66.70 66.76 1tn0 h VAL 124 Cb 0.62 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1tn0 h VAL 124 CO 0.04 0.30 -0.54 1.23 0.02 0.00 0.00 177.57 178.62 1tn0 h GLY 125 N 1.08 0.81 2.00 2.17 0.00 -0.52 0.88 103.07 109.49 1tn0 h GLY 125 Ca 0.24 -0.93 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 1tn0 h GLY 125 CO -0.02 0.84 -0.13 0.00 0.00 0.00 0.00 176.54 177.23 1tn0 h ALA 126 N 0.82 1.16 0.00 3.60 0.00 -0.46 -3.08 119.26 121.30 1tn0 h ALA 126 Ca 0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1tn0 h ALA 126 Cb 1.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1tn0 h ALA 126 CO 0.11 0.16 -1.60 1.28 0.00 0.00 0.00 179.25 179.20 1tn0 n LEU 127 N -3.47 0.42 -4.72 0.00 4.77 -0.51 -4.93 117.00 108.56 1tn0 n LEU 127 Ca -0.01 0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 55.71 1tn0 n LEU 127 Cb 0.28 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1tn0 n LEU 127 CO 0.30 -0.00 1.04 0.41 -1.33 0.00 0.00 177.39 177.81 1tn0 n THR 128 N -2.54 1.57 -0.02 -5.08 -1.04 0.27 -4.93 114.28 102.52 1tn0 n THR 128 Ca -0.06 -0.39 -0.07 0.00 -2.04 0.00 0.00 64.05 61.49 1tn0 n THR 128 Cb 0.65 -1.71 -0.13 0.00 -1.82 0.00 0.00 70.33 67.32 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 1.18 0.64 -2.57 -2.82 5.02 -1.26 -4.71 118.16 113.64 1tn0 n LYS 129 Ca 0.06 0.23 -0.43 0.00 -2.02 0.00 0.00 58.31 56.16 1tn0 n LYS 129 Cb 0.36 -1.76 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 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 -2.67 4.27 0.24 -0.18 1.01 -1.26 -4.50 120.40 117.31 1tn0 s VAL 130 Ca -0.05 1.37 -0.12 0.00 0.00 0.00 0.00 61.98 63.18 1tn0 s VAL 130 Cb 0.08 -4.46 0.33 0.00 0.00 0.00 0.00 36.38 32.33 1tn0 s VAL 130 CO 0.82 -0.76 1.59 0.22 0.00 0.00 0.00 175.10 176.97 1tn0 h TYR 131 N 9.00 -0.54 0.00 5.22 5.03 -1.91 -1.87 116.97 131.89 1tn0 h TYR 131 Ca -0.23 0.08 -0.07 0.00 2.58 0.00 0.00 58.73 61.08 1tn0 h TYR 131 Cb 1.07 0.37 -0.01 0.00 1.55 0.00 0.00 36.73 39.70 1tn0 h TYR 131 CO 0.92 -0.37 -0.35 0.66 -1.32 0.00 0.00 178.16 177.70 1tn0 h SER 132 N -0.02 0.00 1.01 -2.11 4.64 -1.97 -2.86 113.55 112.24 1tn0 h SER 132 Ca 0.38 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.62 1tn0 h SER 132 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1tn0 h SER 132 CO -0.86 0.35 -0.37 1.88 -0.87 0.00 0.00 176.83 176.97 1tn0 h TYR 133 N 0.00 0.00 -0.40 4.77 0.05 -1.75 -2.89 116.97 116.75 1tn0 h TYR 133 Ca -0.00 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.85 1tn0 h TYR 133 Cb 0.69 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.37 1tn0 h TYR 133 CO 0.00 0.37 0.03 0.00 -1.05 0.00 0.00 178.16 177.51 1tn0 h ARG 134 N 0.00 0.14 0.00 4.88 3.08 -1.28 -0.21 114.38 120.99 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 0.98 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 1tn0 h ARG 134 CO 0.05 0.09 -0.13 0.74 -1.07 0.00 0.00 179.97 179.66 1tn0 h PHE 135 N 0.14 0.00 0.05 3.04 0.04 -1.62 0.12 116.94 118.72 1tn0 h PHE 135 Ca 0.20 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.96 1tn0 h PHE 135 Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1tn0 h PHE 135 CO -0.24 0.13 -0.03 0.28 -0.60 0.00 0.00 178.31 177.85 1tn0 h VAL 136 N 0.00 1.20 -0.67 -0.55 2.07 -0.94 -0.74 116.25 116.62 1tn0 h VAL 136 Ca -0.00 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1tn0 h VAL 136 Cb 0.43 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1tn0 h VAL 136 CO 0.02 0.23 0.41 -0.50 0.02 0.00 0.00 177.57 177.74 1tn0 h TRP 137 N -0.48 0.88 -0.99 1.57 4.06 -0.77 -0.28 115.95 119.95 1tn0 h TRP 137 Ca -0.01 0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.03 1tn0 h TRP 137 Cb 0.43 -0.29 -0.07 0.00 -1.00 0.00 0.00 29.16 28.22 1tn0 h TRP 137 CO 0.06 0.59 0.63 2.35 -3.56 0.00 0.00 178.44 178.52 1tn0 h TRP 138 N 0.92 1.15 -0.30 0.49 7.01 -0.76 0.10 115.95 124.55 1tn0 h TRP 138 Ca 0.24 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.26 1tn0 h TRP 138 Cb -0.04 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 26.64 1tn0 h TRP 138 CO -0.02 0.53 0.14 0.00 -2.79 0.00 0.00 178.44 176.31 1tn0 h ALA 139 N 1.50 0.39 -0.44 2.65 0.00 0.47 -0.78 119.26 123.05 1tn0 h ALA 139 Ca 0.46 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 1tn0 h ALA 139 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1tn0 h ALA 139 CO -0.21 -0.05 -0.26 0.82 0.00 0.00 0.00 179.25 179.55 1tn0 h ILE 140 N 0.35 1.27 -0.39 0.00 2.04 -0.55 -2.23 117.51 118.01 1tn0 h ILE 140 Ca 0.10 -1.42 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 1tn0 h ILE 140 Cb 0.12 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1tn0 h ILE 140 CO -0.01 0.48 0.23 -1.28 0.00 0.00 0.00 178.15 177.57 1tn0 h SER 141 N 0.79 0.46 -0.64 1.72 0.87 -0.65 -2.01 113.55 114.09 1tn0 h SER 141 Ca 0.09 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 1tn0 h SER 141 Cb 0.83 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 1tn0 h SER 141 CO 0.07 0.38 0.22 0.74 -0.53 0.00 0.00 176.83 177.71 1tn0 h THR 142 N 0.51 1.24 0.00 2.23 2.02 -1.05 -2.25 112.91 115.61 1tn0 h THR 142 Ca 0.14 -0.82 -0.09 0.00 0.77 0.00 0.00 66.41 66.41 1tn0 h THR 142 Cb -0.00 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1tn0 h THR 142 CO -0.03 0.32 -0.43 0.00 0.37 0.00 0.00 175.52 175.75 1tn0 h ALA 143 N 1.26 1.27 -0.57 6.16 0.00 -1.15 -0.40 119.26 125.84 1tn0 h ALA 143 Ca 0.22 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1tn0 h ALA 143 Cb 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1tn0 h ALA 143 CO -0.01 0.54 -0.01 0.00 0.00 0.00 0.00 179.25 179.78 1tn0 h ALA 144 N 1.57 0.76 -0.70 0.00 0.00 -0.88 -2.33 119.26 117.69 1tn0 h ALA 144 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1tn0 h ALA 144 Cb 0.77 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1tn0 h ALA 144 CO 0.06 0.60 0.35 1.98 0.00 0.00 0.00 179.25 182.24 1tn0 h MET 145 N 0.89 0.99 -0.21 0.00 -1.53 -0.73 -2.28 114.93 112.06 1tn0 h MET 145 Ca 0.16 -0.14 -0.04 0.00 -3.44 0.00 0.00 59.70 56.24 1tn0 h MET 145 Cb 0.55 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.41 1tn0 h MET 145 CO 0.03 0.77 -0.06 -0.07 0.14 0.00 0.00 176.91 177.72 1tn0 h LEU 146 N 0.96 0.30 -0.29 3.39 3.38 -0.95 -1.14 115.31 120.96 1tn0 h LEU 146 Ca 0.24 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1tn0 h LEU 146 Cb 0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1tn0 h LEU 146 CO -0.03 0.41 0.01 0.22 0.09 0.00 0.00 178.44 179.13 1tn0 h TYR 147 N 0.31 0.54 -0.28 1.13 3.20 -0.87 -0.65 116.97 120.35 1tn0 h TYR 147 Ca 0.07 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1tn0 h TYR 147 Cb 0.31 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1tn0 h TYR 147 CO 0.01 0.64 0.18 0.82 -1.64 0.00 0.00 178.16 178.17 1tn0 h ILE 148 N 0.29 1.07 -0.67 1.81 2.04 -1.03 -1.40 117.51 119.62 1tn0 h ILE 148 Ca 0.08 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1tn0 h ILE 148 Cb 0.42 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1tn0 h ILE 148 CO 0.01 0.07 0.23 -0.07 0.00 0.00 0.00 178.15 178.39 1tn0 h LEU 149 N 0.38 0.97 -0.74 1.44 3.38 -1.17 0.07 115.31 119.63 1tn0 h LEU 149 Ca 0.10 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1tn0 h LEU 149 Cb -0.04 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1tn0 h LEU 149 CO -0.02 0.91 0.49 0.22 0.09 0.00 0.00 178.44 180.12 1tn0 h TYR 150 N 0.97 0.92 -0.42 1.13 3.20 -0.89 0.46 116.97 122.34 1tn0 h TYR 150 Ca 0.22 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 1tn0 h TYR 150 Cb 0.27 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1tn0 h TYR 150 CO 0.02 0.56 0.05 0.28 -1.64 0.00 0.00 178.16 177.43 1tn0 h VAL 151 N 0.98 1.25 -0.82 1.81 2.07 -0.55 0.94 116.25 121.92 1tn0 h VAL 151 Ca 0.28 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1tn0 h VAL 151 Cb -0.08 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1tn0 h VAL 151 CO -0.07 0.32 0.40 -0.07 0.02 0.00 0.00 177.57 178.16 1tn0 h LEU 152 N 0.56 1.06 0.00 2.57 4.07 -0.70 -0.55 115.31 122.32 1tn0 h LEU 152 Ca 0.13 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1tn0 h LEU 152 Cb 0.40 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 1tn0 h LEU 152 CO 0.01 0.89 -0.06 0.15 -1.08 0.00 0.00 178.44 178.35 1tn0 h PHE 153 N 1.16 0.00 0.00 1.13 3.04 -0.70 -3.04 116.94 118.53 1tn0 h PHE 153 Ca 0.28 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.23 1tn0 h PHE 153 Cb 0.10 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.61 1tn0 h PHE 153 CO 0.01 1.02 -0.15 0.74 -2.02 0.00 0.00 178.31 177.91 1tn0 h PHE 154 N -1.00 0.00 0.18 0.41 0.04 0.86 -3.37 116.94 114.05 1tn0 h PHE 154 Ca -0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1tn0 h PHE 154 Cb 1.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.16 1tn0 h PHE 154 CO 0.27 0.06 -0.08 0.78 -0.60 0.00 0.00 178.31 178.74 1tn0 h GLY 155 N -1.00 -0.25 -0.09 -1.45 0.00 -1.32 -3.24 103.07 95.73 1tn0 h GLY 155 Ca -0.01 0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.49 1tn0 h GLY 155 CO -0.00 -0.09 -0.29 0.74 0.00 0.00 0.00 176.54 176.90 1tn0 h PHE 156 N -0.27 -0.79 -1.05 5.60 -1.00 -1.26 -0.68 116.94 117.49 1tn0 h PHE 156 Ca -0.02 0.05 0.28 0.00 2.81 0.00 0.00 57.97 61.09 1tn0 h PHE 156 Cb 0.18 0.40 -0.07 0.00 3.61 0.00 0.00 35.95 40.07 1tn0 h PHE 156 CO 0.15 -0.36 0.70 1.15 -1.61 0.00 0.00 178.31 178.35 1tn0 h THR 157 N -0.24 0.51 -0.35 -1.55 2.02 -1.68 0.43 112.91 112.06 1tn0 h THR 157 Ca 0.17 -0.08 -0.14 0.00 0.77 0.00 0.00 66.41 67.13 1tn0 h THR 157 Cb 0.51 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1tn0 h THR 157 CO -0.50 0.04 -0.32 0.28 0.37 0.00 0.00 175.52 175.40 1tn0 h SER 158 N 0.25 0.88 1.07 4.18 0.02 -1.14 -3.05 113.55 115.76 1tn0 h SER 158 Ca 0.55 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1tn0 h SER 158 Cb 1.69 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.98 1tn0 h SER 158 CO -0.18 1.16 -0.09 0.50 -1.14 0.00 0.00 176.83 177.08 1tn0 h LYS 159 N 0.62 0.00 0.00 3.45 3.64 -0.80 -2.55 116.57 120.92 1tn0 h LYS 159 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1tn0 h LYS 159 Cb 0.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1tn0 h LYS 159 CO 0.08 0.09 0.00 0.00 -2.27 0.00 0.00 179.45 177.35 1tn0 n ALA 160 N -2.14 1.91 1.31 5.00 0.00 -0.56 -1.95 120.51 124.07 1tn0 n ALA 160 Ca 0.01 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.51 1tn0 n ALA 160 Cb 0.38 -1.30 0.51 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.40 0.66 -0.22 0.00 -0.58 -0.96 -2.68 120.64 115.47 1tn0 n GLU 161 Ca 0.06 -0.29 0.11 0.00 -0.42 0.00 0.00 57.16 56.62 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 -0.92 3.04 -4.83 1.62 3.41 -0.82 -4.91 113.62 110.21 1tn0 n SER 162 Ca 0.13 -1.95 -0.22 0.00 -0.26 0.00 0.00 58.87 56.58 1tn0 n SER 162 Cb 0.31 -0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.43 2.52 0.85 4.33 -1.94 -1.09 -5.10 119.30 117.44 1tn0 s MET 163 Ca 0.38 -1.51 -0.10 0.00 -1.71 0.00 0.00 55.69 52.74 1tn0 s MET 163 Cb 0.21 -2.33 0.11 0.00 2.01 0.00 0.00 34.83 34.83 1tn0 s MET 163 CO 0.29 -0.07 1.13 1.03 -0.01 0.00 0.00 175.02 177.39 1tn0 s ARG 164 N -4.03 1.52 0.45 2.03 1.81 -1.26 -4.63 118.95 114.83 1tn0 s ARG 164 Ca 0.44 1.42 0.12 0.00 -1.72 0.00 0.00 55.73 55.99 1tn0 s ARG 164 Cb -0.03 -1.79 1.01 0.00 -0.45 0.00 0.00 34.95 33.68 1tn0 s ARG 164 CO 0.26 -2.24 2.03 -1.00 -0.68 0.00 0.00 175.30 173.68 1tn0 h PRO 165 N -1.54 0.15 -0.39 3.54 0.13 -1.97 0.24 132.00 132.15 1tn0 h PRO 165 Ca -0.43 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 1tn0 h PRO 165 Cb 1.26 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1tn0 h PRO 165 CO 0.45 0.20 -0.02 1.49 -0.23 0.00 0.00 178.00 179.90 1tn0 h GLU 166 N 0.15 0.63 0.13 0.86 4.57 -1.97 0.27 114.58 119.21 1tn0 h GLU 166 Ca 0.03 -0.15 -0.18 0.00 -1.18 0.00 0.00 59.36 57.88 1tn0 h GLU 166 Cb 0.17 -0.08 0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1tn0 h GLU 166 CO 0.01 0.66 -0.80 0.28 -1.18 0.00 0.00 179.01 177.98 1tn0 h VAL 167 N 0.60 1.50 -0.21 0.32 2.07 -1.54 -2.79 116.25 116.20 1tn0 h VAL 167 Ca 0.12 -2.52 -0.05 0.00 0.82 0.00 0.00 66.70 65.07 1tn0 h VAL 167 Cb 0.40 3.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 1tn0 h VAL 167 CO 0.02 0.71 -0.09 0.00 0.02 0.00 0.00 177.57 178.23 1tn0 h ALA 168 N 0.07 1.46 0.00 1.67 0.00 -0.46 -2.63 119.26 119.37 1tn0 h ALA 168 Ca -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1tn0 h ALA 168 Cb 1.61 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1tn0 h ALA 168 CO 0.14 0.38 0.00 0.66 0.00 0.00 0.00 179.25 180.42 1tn0 h SER 169 N 0.32 0.00 0.79 0.00 4.64 -0.53 -2.38 113.55 116.39 1tn0 h SER 169 Ca 0.07 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.14 1tn0 h SER 169 Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1tn0 h SER 169 CO 0.02 0.00 -1.20 0.74 -0.87 0.00 0.00 176.83 175.52 1tn0 h THR 170 N 0.00 1.50 -0.19 2.95 2.02 -1.21 -3.27 112.91 114.71 1tn0 h THR 170 Ca 0.00 -3.19 -0.08 0.00 0.77 0.00 0.00 66.41 63.91 1tn0 h THR 170 Cb 0.91 2.81 -0.00 0.00 -1.74 0.00 0.00 68.15 70.13 1tn0 h THR 170 CO 0.00 0.88 -0.19 0.15 0.37 0.00 0.00 175.52 176.74 1tn0 h PHE 171 N 0.02 0.56 0.00 3.16 3.57 -1.42 -2.22 116.94 120.61 1tn0 h PHE 171 Ca -0.10 -0.17 -0.05 0.00 3.53 0.00 0.00 57.97 61.19 1tn0 h PHE 171 Cb 1.87 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.49 1tn0 h PHE 171 CO 0.02 0.82 -0.22 1.57 -2.23 0.00 0.00 178.31 178.27 1tn0 h LYS 172 N 0.13 0.00 -0.04 1.11 -0.00 -1.53 0.74 116.57 116.98 1tn0 h LYS 172 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.66 1tn0 h LYS 172 Cb 0.73 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.96 1tn0 h LYS 172 CO 0.05 0.22 -0.06 0.28 -0.00 0.00 0.00 179.45 179.94 1tn0 h VAL 173 N 0.00 1.42 -0.34 0.07 2.07 -1.60 -1.33 116.25 116.54 1tn0 h VAL 173 Ca -0.00 -1.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.10 1tn0 h VAL 173 Cb 0.57 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1tn0 h VAL 173 CO 0.03 0.36 -0.18 -0.07 0.02 0.00 0.00 177.57 177.73 1tn0 h LEU 174 N -0.40 0.63 -0.79 2.57 3.38 -0.88 -0.22 115.31 119.60 1tn0 h LEU 174 Ca 0.00 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1tn0 h LEU 174 Cb 0.61 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1tn0 h LEU 174 CO 0.01 0.81 -0.47 -0.09 0.09 0.00 0.00 178.44 178.79 1tn0 h ARG 175 N 0.57 0.31 -0.11 1.13 2.43 0.48 -1.58 114.38 117.61 1tn0 h ARG 175 Ca 0.09 -0.17 -0.24 0.00 -0.81 0.00 0.00 59.98 58.85 1tn0 h ARG 175 Cb 0.62 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1tn0 h ARG 175 CO 0.04 0.72 -0.86 -0.91 -1.51 0.00 0.00 179.97 177.46 1tn0 h ASN 176 N 0.25 0.92 -0.36 -3.80 -0.26 -0.95 -0.19 115.58 111.19 1tn0 h ASN 176 Ca 0.01 -0.64 -0.09 0.00 -0.56 0.00 0.00 56.30 55.02 1tn0 h ASN 176 Cb 0.93 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.90 1tn0 h ASN 176 CO 0.08 1.44 -0.10 0.58 -1.06 0.00 0.00 177.43 178.37 1tn0 h VAL 177 N 0.49 1.26 -0.39 2.81 2.07 -0.99 -2.25 116.25 119.24 1tn0 h VAL 177 Ca -0.07 -1.16 -0.14 0.00 0.82 0.00 0.00 66.70 66.15 1tn0 h VAL 177 Cb 1.49 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1tn0 h VAL 177 CO 0.17 0.40 -0.31 0.74 0.02 0.00 0.00 177.57 178.59 1tn0 h THR 178 N 0.72 1.28 -0.57 2.57 2.02 -1.14 -0.30 112.91 117.48 1tn0 h THR 178 Ca 0.12 -1.47 -0.08 0.00 0.77 0.00 0.00 66.41 65.75 1tn0 h THR 178 Cb 0.58 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1tn0 h THR 178 CO 0.04 0.49 0.06 0.58 0.37 0.00 0.00 175.52 177.06 1tn0 h VAL 179 N 0.72 1.26 -0.14 3.16 2.07 -0.96 -0.29 116.25 122.07 1tn0 h VAL 179 Ca 0.07 -1.04 -0.13 0.00 0.82 0.00 0.00 66.70 66.43 1tn0 h VAL 179 Cb 0.89 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1tn0 h VAL 179 CO 0.08 0.38 -0.43 0.58 0.02 0.00 0.00 177.57 178.20 1tn0 h VAL 180 N 0.87 1.36 -0.21 2.57 2.07 -1.36 -2.40 116.25 119.14 1tn0 h VAL 180 Ca 0.17 -1.72 -0.18 0.00 0.82 0.00 0.00 66.70 65.79 1tn0 h VAL 180 Cb 0.46 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1tn0 h VAL 180 CO 0.02 0.52 -0.59 -0.07 0.02 0.00 0.00 177.57 177.47 1tn0 h LEU 181 N 0.15 0.88 -0.66 2.57 3.38 -1.04 -3.20 115.31 117.39 1tn0 h LEU 181 Ca -0.02 -0.58 -0.09 0.00 0.09 0.00 0.00 57.88 57.29 1tn0 h LEU 181 Cb 1.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1tn0 h LEU 181 CO 0.09 1.31 0.08 -0.50 0.09 0.00 0.00 178.44 179.50 1tn0 h TRP 182 N 0.51 1.19 -1.00 1.13 4.06 -1.14 -2.58 115.95 118.11 1tn0 h TRP 182 Ca -0.01 -0.18 0.18 0.00 2.06 0.00 0.00 58.89 60.93 1tn0 h TRP 182 Cb 1.21 -0.32 -0.10 0.00 -1.00 0.00 0.00 29.16 28.95 1tn0 h TRP 182 CO 0.09 1.01 0.62 0.77 -3.56 0.00 0.00 178.44 177.36 1tn0 h SER 183 N 1.03 0.81 -0.56 -3.49 0.02 -1.46 -2.65 113.55 107.25 1tn0 h SER 183 Ca 0.20 0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 61.12 1tn0 h SER 183 Cb 0.48 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1tn0 h SER 183 CO 0.02 0.32 -0.09 0.00 -1.14 0.00 0.00 176.83 175.94 1tn0 h ALA 184 N 1.62 0.76 -0.44 3.77 0.00 -1.46 -3.35 119.26 120.17 1tn0 h ALA 184 Ca 0.56 -0.35 0.08 0.00 0.00 0.00 0.00 54.91 55.21 1tn0 h ALA 184 Cb 0.82 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 1tn0 h ALA 184 CO -0.35 0.67 -0.36 1.88 0.00 0.00 0.00 179.25 181.08 1tn0 h TYR 185 N 0.93 -1.02 -0.15 0.00 -1.99 -1.46 -0.22 116.97 113.06 1tn0 h TYR 185 Ca 0.15 0.06 0.04 0.00 2.00 0.00 0.00 58.73 60.98 1tn0 h TYR 185 Cb 0.66 0.51 -0.01 0.00 2.00 0.00 0.00 36.73 39.90 1tn0 h TYR 185 CO 0.05 -0.40 0.12 -1.00 -0.00 0.00 0.00 178.16 176.93 1tn0 h PRO 186 N -0.26 0.00 -0.12 4.88 0.13 -1.72 -1.19 132.00 133.72 1tn0 h PRO 186 Ca 0.17 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.07 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 -0.58 0.00 -0.84 0.28 -0.23 0.00 0.00 178.00 176.64 1tn0 h VAL 187 N 0.00 1.28 -0.07 1.56 2.07 -1.25 -2.24 116.25 117.60 1tn0 h VAL 187 Ca 0.07 -2.03 -0.00 0.00 0.82 0.00 0.00 66.70 65.55 1tn0 h VAL 187 Cb 0.32 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1tn0 h VAL 187 CO -0.00 0.64 0.04 0.58 0.02 0.00 0.00 177.57 178.85 1tn0 h VAL 188 N 0.50 1.10 -0.55 2.57 2.07 -0.10 -2.38 116.25 119.46 1tn0 h VAL 188 Ca -0.07 -0.29 0.11 0.00 0.82 0.00 0.00 66.70 67.27 1tn0 h VAL 188 Cb 1.48 1.17 -0.09 0.00 -1.52 0.00 0.00 31.29 32.32 1tn0 h VAL 188 CO 0.17 0.08 0.00 -0.25 0.02 0.00 0.00 177.57 177.60 1tn0 h TRP 189 N 0.00 -0.03 -0.19 1.57 7.01 -1.33 -1.79 115.95 121.18 1tn0 h TRP 189 Ca 0.02 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.09 1tn0 h TRP 189 Cb 0.11 0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 1tn0 h TRP 189 CO -0.04 -0.13 0.05 1.25 -2.79 0.00 0.00 178.44 176.78 1tn0 h LEU 190 N 0.12 0.04 -0.55 0.65 5.85 -1.04 -2.09 115.31 118.29 1tn0 h LEU 190 Ca 0.28 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1tn0 h LEU 190 Cb 0.44 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1tn0 h LEU 190 CO -0.46 0.05 -0.14 2.30 -0.34 0.00 0.00 178.44 179.85 1tn0 n ILE 191 N -5.07 0.00 -0.86 4.05 -5.35 -0.93 0.40 119.36 111.61 1tn0 n ILE 191 Ca -0.03 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1tn0 n ILE 191 Cb 0.08 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 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 1.26 2.75 0.33 3.28 0.00 -0.69 -0.17 105.19 111.94 1tn0 n GLY 192 Ca 0.15 -1.82 0.03 0.00 0.00 0.00 0.00 46.02 44.38 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 0.79 -0.18 1.61 0.02 -1.79 0.95 113.55 114.95 1tn0 h SER 193 Ca 0.00 0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 60.81 1tn0 h SER 193 Cb 0.00 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 1tn0 h SER 193 CO 0.00 0.47 -0.53 -0.33 -1.14 0.00 0.00 176.83 175.30 1tn0 h GLU 194 N 0.91 0.76 0.00 3.45 3.07 -1.91 -3.44 114.58 117.43 1tn0 h GLU 194 Ca 0.41 -0.47 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 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 -0.23 1.10 0.00 0.41 -1.40 0.00 0.00 179.01 178.89 1tn0 n GLY 195 N 0.29 0.68 0.30 -3.84 0.00 -0.79 -4.92 105.19 96.90 1tn0 n GLY 195 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.21 1.38 -1.89 4.61 0.00 -0.04 -3.46 119.26 118.64 1tn0 h ALA 196 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 1tn0 h ALA 196 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1tn0 h ALA 196 CO 0.00 -0.38 -0.43 0.41 0.00 0.00 0.00 179.25 178.86 1tn0 n GLY 197 N -1.26 0.61 0.07 0.00 0.00 0.32 -4.88 105.19 100.06 1tn0 n GLY 197 Ca -0.02 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 1.58 -3.53 -0.61 2.04 -1.10 -3.43 117.51 112.46 1tn0 h ILE 198 Ca -0.42 -1.92 -0.61 0.00 1.00 0.00 0.00 64.86 62.90 1tn0 h ILE 198 Cb 1.29 2.86 -0.12 0.00 -0.74 0.00 0.00 36.82 40.11 1tn0 h ILE 198 CO 0.55 0.49 0.03 -0.69 0.00 0.00 0.00 178.15 178.53 1tn0 s VAL 199 N -2.79 5.05 0.75 1.67 1.01 0.76 -5.00 120.40 121.83 1tn0 s VAL 199 Ca -0.17 0.97 -0.15 0.00 0.00 0.00 0.00 61.98 62.62 1tn0 s VAL 199 Cb -0.02 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.55 1tn0 s VAL 199 CO 0.65 0.08 1.21 -0.81 0.00 0.00 0.00 175.10 176.24 1tn0 n PRO 200 N 5.47 0.54 -0.26 2.72 -0.04 -1.26 -3.98 135.00 138.19 1tn0 n PRO 200 Ca -0.03 0.25 0.06 0.00 -0.04 0.00 0.00 63.50 63.74 1tn0 n PRO 200 Cb 0.50 -2.45 0.17 0.00 -0.04 0.00 0.00 33.50 31.67 1tn0 n PRO 200 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1tn0 h LEU 201 N -0.34 -0.32 -1.49 1.53 5.85 -1.97 -1.49 115.31 117.09 1tn0 h LEU 201 Ca -0.48 0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1tn0 h LEU 201 Cb 1.32 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 42.66 1tn0 h LEU 201 CO 0.48 -0.18 0.36 -0.55 -0.34 0.00 0.00 178.44 178.22 1tn0 h ASN 202 N 0.11 0.60 0.84 1.25 -1.07 -1.94 0.78 115.58 116.15 1tn0 h ASN 202 Ca 0.42 -0.01 -0.21 0.00 0.07 0.00 0.00 56.30 56.57 1tn0 h ASN 202 Cb 0.75 -0.15 -0.02 0.00 -2.07 0.00 0.00 38.32 36.84 1tn0 h ASN 202 CO -0.66 0.43 -0.98 0.40 0.07 0.00 0.00 177.43 176.68 1tn0 h ILE 203 N 0.70 1.62 -0.37 6.14 2.04 -1.66 -2.83 117.51 123.15 1tn0 h ILE 203 Ca 0.20 -3.11 -0.13 0.00 1.00 0.00 0.00 64.86 62.82 1tn0 h ILE 203 Cb -0.04 2.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1tn0 h ILE 203 CO -0.05 0.89 -0.28 -0.08 0.00 0.00 0.00 178.15 178.64 1tn0 h GLU 204 N 0.03 0.85 -0.33 2.37 4.81 -0.33 -0.68 114.58 121.30 1tn0 h GLU 204 Ca -0.03 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1tn0 h GLU 204 Cb 1.69 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.05 1tn0 h GLU 204 CO 0.14 1.05 0.17 1.15 -0.73 0.00 0.00 179.01 180.79 1tn0 h THR 205 N 0.65 1.15 -0.58 0.32 2.02 0.49 0.37 112.91 117.33 1tn0 h THR 205 Ca 0.07 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.88 1tn0 h THR 205 Cb 0.85 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 1tn0 h THR 205 CO 0.07 0.15 0.33 0.25 0.37 0.00 0.00 175.52 176.70 1tn0 h LEU 206 N 0.41 0.51 -0.68 2.58 5.85 -1.36 0.17 115.31 122.79 1tn0 h LEU 206 Ca 0.12 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1tn0 h LEU 206 Cb 0.09 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1tn0 h LEU 206 CO -0.02 0.35 0.22 -0.07 -0.34 0.00 0.00 178.44 178.58 1tn0 h LEU 207 N 0.64 0.98 -0.67 2.25 3.38 -0.85 -2.24 115.31 118.80 1tn0 h LEU 207 Ca 0.25 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1tn0 h LEU 207 Cb 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1tn0 h LEU 207 CO -0.14 0.93 -0.21 -0.26 0.09 0.00 0.00 178.44 178.85 1tn0 h PHE 208 N 0.99 0.92 -0.12 1.13 0.04 -0.36 -2.65 116.94 116.89 1tn0 h PHE 208 Ca 0.22 -0.21 -0.16 0.00 2.80 0.00 0.00 57.97 60.62 1tn0 h PHE 208 Cb 0.29 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1tn0 h PHE 208 CO 0.02 0.95 -0.62 0.00 -0.60 0.00 0.00 178.31 178.07 1tn0 h MET 209 N 0.71 0.42 -0.52 1.51 -0.00 -0.85 0.17 114.93 116.37 1tn0 h MET 209 Ca 0.10 -0.29 -0.03 0.00 -0.00 0.00 0.00 59.70 59.48 1tn0 h MET 209 Cb 0.73 0.04 -0.03 0.00 -0.00 0.00 0.00 31.60 32.35 1tn0 h MET 209 CO 0.06 0.90 0.22 0.28 -0.00 0.00 0.00 176.91 178.37 1tn0 h VAL 210 N 0.31 1.19 0.13 -0.10 2.07 -1.33 0.94 116.25 119.45 1tn0 h VAL 210 Ca -0.01 -0.57 -0.17 0.00 0.82 0.00 0.00 66.70 66.77 1tn0 h VAL 210 Cb 1.15 0.56 0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1tn0 h VAL 210 CO 0.11 0.23 -0.75 -0.07 0.02 0.00 0.00 177.57 177.11 1tn0 h LEU 211 N 0.74 0.42 -0.35 2.57 3.38 -1.37 -2.63 115.31 118.07 1tn0 h LEU 211 Ca 0.18 -0.96 0.03 0.00 0.09 0.00 0.00 57.88 57.22 1tn0 h LEU 211 Cb 0.13 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1tn0 h LEU 211 CO -0.02 1.36 0.17 0.44 0.09 0.00 0.00 178.44 180.48 1tn0 h ASP 212 N -0.43 0.24 -0.55 -0.43 5.19 -0.72 -0.08 116.42 119.64 1tn0 h ASP 212 Ca -0.13 0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.20 1tn0 h ASP 212 Cb 1.58 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 41.05 1tn0 h ASP 212 CO 0.14 0.18 -0.03 0.58 -3.12 0.00 0.00 179.24 176.98 1tn0 h VAL 213 N 0.34 1.27 -0.32 -1.35 2.07 -0.94 -1.32 116.25 115.99 1tn0 h VAL 213 Ca 0.15 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 1tn0 h VAL 213 Cb 0.07 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1tn0 h VAL 213 CO -0.11 0.41 -0.04 0.28 0.02 0.00 0.00 177.57 178.13 1tn0 h SER 214 N 0.86 0.59 1.18 0.57 0.02 -1.27 -1.11 113.55 114.40 1tn0 h SER 214 Ca 0.15 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1tn0 h SER 214 Cb 0.58 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1tn0 h SER 214 CO 0.03 0.80 0.00 0.00 -1.14 0.00 0.00 176.83 176.52 1tn0 h ALA 215 N 0.82 1.00 0.00 3.77 0.00 -1.00 -1.60 119.26 122.25 1tn0 h ALA 215 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1tn0 h ALA 215 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1tn0 h ALA 215 CO 0.03 0.00 -0.05 1.63 0.00 0.00 0.00 179.25 180.85 1tn0 n LYS 216 N -2.49 0.03 -0.08 0.00 5.02 -0.50 -4.08 118.16 116.05 1tn0 n LYS 216 Ca 0.03 0.01 -0.07 0.00 -2.02 0.00 0.00 58.31 56.26 1tn0 n LYS 216 Cb 0.35 -0.36 0.10 0.00 -0.02 0.00 0.00 35.03 35.09 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 -0.05 1.27 -0.28 -0.18 2.07 -1.49 0.38 116.25 117.97 1tn0 h VAL 217 Ca 0.00 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 1tn0 h VAL 217 Cb 0.05 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1tn0 h VAL 217 CO 0.00 0.44 0.02 1.23 0.02 0.00 0.00 177.57 179.28 1tn0 h GLY 218 N 0.97 0.53 0.81 2.17 0.00 -0.49 -1.68 103.07 105.38 1tn0 h GLY 218 Ca 0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1tn0 h GLY 218 CO 0.06 0.35 0.02 -2.75 0.00 0.00 0.00 176.54 174.22 1tn0 h PHE 219 N 0.29 0.22 0.17 5.60 3.04 -1.12 -3.03 116.94 122.10 1tn0 h PHE 219 Ca 0.08 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.02 1tn0 h PHE 219 Cb 0.39 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.81 1tn0 h PHE 219 CO 0.03 0.38 -0.29 0.78 -2.02 0.00 0.00 178.31 177.20 1tn0 h GLY 220 N -0.01 -0.57 -0.14 2.40 0.00 -0.18 -1.77 103.07 102.80 1tn0 h GLY 220 Ca 0.04 0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.75 1tn0 h GLY 220 CO 0.00 -0.24 -0.47 1.41 0.00 0.00 0.00 176.54 177.25 1tn0 h LEU 221 N -0.53 -1.50 -0.94 3.11 3.38 -1.34 0.51 115.31 118.00 1tn0 h LEU 221 Ca 0.02 0.20 0.13 0.00 0.09 0.00 0.00 57.88 58.32 1tn0 h LEU 221 Cb 0.54 0.61 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 1tn0 h LEU 221 CO -0.14 -0.43 0.56 0.40 0.09 0.00 0.00 178.44 178.92 1tn0 h ILE 222 N -0.47 0.84 -0.03 1.22 2.04 -1.48 -1.78 117.51 117.85 1tn0 h ILE 222 Ca 0.08 -0.29 -0.12 0.00 1.00 0.00 0.00 64.86 65.53 1tn0 h ILE 222 Cb 0.63 -0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1tn0 h ILE 222 CO -0.47 0.15 -0.45 0.25 0.00 0.00 0.00 178.15 177.63 1tn0 h LEU 223 N 0.83 0.45 -0.06 1.44 5.85 -0.18 -3.26 115.31 120.37 1tn0 h LEU 223 Ca 0.49 -0.72 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1tn0 h LEU 223 Cb 0.58 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1tn0 h LEU 223 CO -0.31 1.11 0.00 -0.07 -0.34 0.00 0.00 178.44 178.83 1tn0 h LEU 224 N -0.17 0.00 -2.25 2.25 3.38 0.09 -3.00 115.31 115.61 1tn0 h LEU 224 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1tn0 h LEU 224 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1tn0 h LEU 224 CO 0.09 0.00 0.00 -2.11 0.09 0.00 0.00 178.44 176.51 1tn0 n ARG 225 N -2.30 2.45 -2.51 1.13 1.85 -0.68 -4.94 116.66 111.66 1tn0 n ARG 225 Ca 0.05 -2.21 -0.25 0.00 -1.00 0.00 0.00 57.85 54.44 1tn0 n ARG 225 Cb 0.42 -1.51 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 -1.37 5.53 0.00 2.89 1.04 -1.14 -4.99 113.70 115.66 1tn0 s SER 226 Ca 0.40 0.55 0.22 0.00 0.48 0.00 0.00 55.95 57.59 1tn0 s SER 226 Cb 0.22 -1.54 -0.06 0.00 0.10 0.00 0.00 66.02 64.74 1tn0 s SER 226 CO 0.31 -1.06 1.02 0.54 0.98 0.00 0.00 173.24 175.03 1tn0 n ARG 227 N -2.50 0.06 0.10 4.02 1.74 -1.26 -4.28 116.66 114.53 1tn0 n ARG 227 Ca 0.05 -0.05 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 1tn0 n ARG 227 Cb 0.58 -1.50 0.45 0.00 -1.02 0.00 0.00 32.46 30.97 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 -1.43 1.68 0.20 7.54 0.00 -1.26 -2.89 120.51 124.34 1tn0 n ALA 228 Ca 0.05 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.63 1tn0 n ALA 228 Cb 0.34 -1.35 0.18 0.00 0.00 0.00 0.00 19.45 18.61 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 0.32 -3.36 0.00 3.07 -1.84 -3.46 117.51 112.25 1tn0 h ILE 229 Ca 0.00 -1.37 -0.52 0.00 1.55 0.00 0.00 64.86 64.51 1tn0 h ILE 229 Cb 0.34 2.09 0.02 0.00 -0.27 0.00 0.00 36.82 39.00 1tn0 h ILE 229 CO 0.00 0.18 0.61 -0.36 -1.05 0.00 0.00 178.15 177.53 1tn0 s PHE 230 N -3.20 3.34 -1.74 0.16 0.40 -1.14 -3.23 117.98 112.58 1tn0 s PHE 230 Ca 0.05 1.27 0.00 0.00 -0.60 0.00 0.00 56.93 57.66 1tn0 s PHE 230 Cb 0.06 -3.53 0.00 0.00 0.51 0.00 0.00 43.02 40.07 1tn0 s PHE 230 CO 0.68 -1.62 0.43 0.41 0.70 0.00 0.00 175.22 175.83