#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3di5 h GLN 3 N 0.00 0.66 -4.68 -0.72 -0.00 -1.98 -3.46 115.11 104.92 3di5 h GLN 3 Ca 0.00 -0.17 -0.26 0.00 -0.00 0.00 0.00 58.65 58.22 3di5 h GLN 3 Cb 0.00 -0.08 -0.18 0.00 -0.00 0.00 0.00 27.48 27.22 3di5 h GLN 3 CO 0.00 0.70 -0.72 -0.08 -0.00 0.00 0.00 178.83 178.73 3di5 s THR 4 N -4.93 0.68 0.11 1.86 -1.32 -1.26 -4.84 115.64 105.94 3di5 s THR 4 Ca -0.08 -1.56 -0.20 0.00 -1.21 0.00 0.00 61.69 58.64 3di5 s THR 4 Cb 0.15 -1.22 -0.08 0.00 -1.51 0.00 0.00 72.50 69.84 3di5 s THR 4 CO 0.79 -0.63 1.71 0.40 -2.21 0.00 0.00 174.62 174.68 3di5 h ILE 5 N 3.65 1.11 -0.26 5.08 1.08 -1.88 -2.29 117.51 124.00 3di5 h ILE 5 Ca -0.36 -0.28 -0.07 0.00 -0.39 0.00 0.00 64.86 63.76 3di5 h ILE 5 Cb 1.18 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 35.84 3di5 h ILE 5 CO 0.53 0.10 -0.15 -0.33 -0.69 0.00 0.00 178.15 177.61 3di5 h GLU 6 N 0.23 0.45 -0.91 2.37 4.39 -1.99 -1.70 114.58 117.42 3di5 h GLU 6 Ca 0.07 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 3di5 h GLU 6 Cb 0.06 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 3di5 h GLU 6 CO -0.01 0.60 0.55 0.78 -1.16 0.00 0.00 179.01 179.77 3di5 h GLY 7 N 0.93 1.31 1.07 -3.84 0.00 -1.94 -1.78 103.07 98.82 3di5 h GLY 7 Ca 0.08 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 3di5 h GLY 7 CO 0.03 0.52 -0.12 -2.75 0.00 0.00 0.00 176.54 174.23 3di5 h PHE 8 N 1.25 1.10 0.00 5.60 3.57 -0.94 -3.10 116.94 124.42 3di5 h PHE 8 Ca 0.33 -0.23 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 3di5 h PHE 8 Cb -0.06 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 3di5 h PHE 8 CO 0.00 1.04 -0.38 -0.07 -2.23 0.00 0.00 178.31 176.67 3di5 h LEU 9 N 0.84 0.00 -0.44 0.59 3.38 -0.91 0.47 115.31 119.25 3di5 h LEU 9 Ca 0.13 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3di5 h LEU 9 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3di5 h LEU 9 CO 0.05 0.38 -0.02 1.56 0.09 0.00 0.00 178.44 180.50 3di5 h GLN 10 N 0.00 0.79 0.03 1.13 4.20 -1.32 0.21 115.11 120.15 3di5 h GLN 10 Ca -0.00 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 3di5 h GLN 10 Cb 0.79 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3di5 h GLN 10 CO 0.05 0.87 -0.01 0.66 -0.67 0.00 0.00 178.83 179.72 3di5 h SER 11 N 0.63 -0.03 -0.69 1.46 4.64 -1.37 -3.23 113.55 114.94 3di5 h SER 11 Ca 0.12 -0.32 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 3di5 h SER 11 Cb 0.52 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.59 3di5 h SER 11 CO 0.03 0.30 0.42 -0.25 -0.87 0.00 0.00 176.83 176.45 3di5 h TRP 12 N -0.37 0.92 -0.61 4.77 2.91 0.00 -2.52 115.95 121.05 3di5 h TRP 12 Ca -0.00 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 3di5 h TRP 12 Cb 0.35 -0.30 -0.03 0.00 -0.51 0.00 0.00 29.16 28.67 3di5 h TRP 12 CO 0.04 0.62 0.29 1.15 -1.03 0.00 0.00 178.44 179.51 3di5 h THR 13 N 0.97 1.22 -0.70 2.65 2.02 -0.67 0.57 112.91 118.97 3di5 h THR 13 Ca 0.25 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 3di5 h THR 13 Cb -0.03 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 3di5 h THR 13 CO -0.05 0.25 0.24 0.22 0.37 0.00 0.00 175.52 176.55 3di5 h TYR 14 N 0.84 1.10 -0.26 3.16 5.03 -1.51 -1.49 116.97 123.85 3di5 h TYR 14 Ca 0.21 -0.10 -0.05 0.00 2.58 0.00 0.00 58.73 61.37 3di5 h TYR 14 Cb 0.13 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.08 3di5 h TYR 14 CO 0.00 0.87 -0.02 0.93 -1.32 0.00 0.00 178.16 178.63 3di5 h GLU 15 N 1.01 0.46 -0.27 1.82 4.39 -1.07 -2.36 114.58 118.57 3di5 h GLU 15 Ca 0.23 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 3di5 h GLU 15 Cb 0.27 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3di5 h GLU 15 CO -0.01 0.65 -0.29 1.79 -1.16 0.00 0.00 179.01 179.99 3di5 h THR 16 N 0.23 1.31 -0.28 1.13 1.35 -0.87 -1.36 112.91 114.43 3di5 h THR 16 Ca 0.07 -1.46 0.04 0.00 -0.55 0.00 0.00 66.41 64.51 3di5 h THR 16 Cb 0.45 1.64 -0.04 0.00 -1.73 0.00 0.00 68.15 68.47 3di5 h THR 16 CO 0.02 0.46 0.03 -0.33 -0.25 0.00 0.00 175.52 175.45 3di5 h GLU 17 N 0.39 0.13 -0.71 4.72 5.08 -1.32 0.90 114.58 123.77 3di5 h GLU 17 Ca 0.04 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3di5 h GLU 17 Cb 0.86 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 3di5 h GLU 17 CO 0.07 0.08 0.47 1.03 -1.00 0.00 0.00 179.01 179.66 3di5 h SER 18 N 0.13 0.81 -0.30 1.42 0.87 -1.38 -1.77 113.55 113.33 3di5 h SER 18 Ca 0.13 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.56 3di5 h SER 18 Cb 0.15 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3di5 h SER 18 CO -0.19 0.58 -0.25 0.74 -0.53 0.00 0.00 176.83 177.18 3di5 h THR 19 N 0.95 1.30 -0.58 2.23 2.02 -0.86 -3.16 112.91 114.80 3di5 h THR 19 Ca 0.27 -1.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.00 3di5 h THR 19 Cb -0.09 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3di5 h THR 19 CO -0.06 0.45 0.16 -0.61 0.37 0.00 0.00 175.52 175.82 3di5 h GLN 20 N 0.45 0.89 -0.14 6.66 5.75 -0.70 -1.43 115.11 126.60 3di5 h GLN 20 Ca 0.05 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 3di5 h GLN 20 Cb 0.81 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.22 3di5 h GLN 20 CO 0.06 0.79 0.00 1.63 -2.65 0.00 0.00 178.83 178.66 3di5 n LYS 21 N -4.27 0.07 0.00 1.69 5.02 -0.68 -0.82 118.16 119.17 3di5 n LYS 21 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3di5 n LYS 21 Cb 0.22 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 3di5 n LYS 21 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3di5 n LEU 23 N 0.48 0.00 0.27 -0.35 4.77 -0.54 -2.95 117.00 118.68 3di5 n LEU 23 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.14 3di5 n LEU 23 Cb 0.02 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 41.78 3di5 n LEU 23 CO 0.00 0.00 0.97 0.44 -1.33 0.00 0.00 177.39 177.47 3di5 h ASP 24 N 0.00 0.00 1.06 -1.43 3.32 -1.24 -2.92 116.42 115.20 3di5 h ASP 24 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3di5 h ASP 24 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3di5 h ASP 24 CO 0.00 0.05 -0.54 0.58 -1.72 0.00 0.00 179.24 177.60 3di5 h VAL 25 N 0.00 0.00 -3.95 -1.35 2.07 -1.81 -3.47 116.25 107.74 3di5 h VAL 25 Ca -0.00 -0.60 -0.51 0.00 0.82 0.00 0.00 66.70 66.41 3di5 h VAL 25 Cb 0.52 1.26 0.06 0.00 -1.52 0.00 0.00 31.29 31.61 3di5 h VAL 25 CO 0.01 0.00 0.52 -0.76 0.02 0.00 0.00 177.57 177.36 3di5 s LEU 26 N -4.59 4.17 0.32 2.57 1.02 -1.11 -4.99 118.68 116.08 3di5 s LEU 26 Ca 0.06 2.39 0.09 0.00 0.02 0.00 0.00 54.13 56.69 3di5 s LEU 26 Cb 0.12 -4.03 -0.04 0.00 0.02 0.00 0.00 46.19 42.26 3di5 s LEU 26 CO 0.71 -0.74 0.10 0.42 0.02 0.00 0.00 176.35 176.85 3di5 s THR 27 N -1.40 3.18 0.26 5.49 -4.23 -1.26 -4.86 115.64 112.81 3di5 s THR 27 Ca 0.58 -1.76 -0.04 0.00 -1.18 0.00 0.00 61.69 59.29 3di5 s THR 27 Cb -0.32 -2.95 0.25 0.00 1.34 0.00 0.00 72.50 70.82 3di5 s THR 27 CO 0.40 -0.24 1.88 0.44 -0.54 0.00 0.00 174.62 176.55 3di5 h ASP 28 N 1.65 0.99 -0.54 3.99 3.32 -1.96 -2.59 116.42 121.29 3di5 h ASP 28 Ca -0.44 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.57 3di5 h ASP 28 Cb 1.25 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 3di5 h ASP 28 CO 0.63 0.65 0.17 -0.08 -1.72 0.00 0.00 179.24 178.88 3di5 h GLU 29 N 1.14 0.84 0.00 3.56 4.57 -1.96 -3.04 114.58 119.69 3di5 h GLU 29 Ca 0.40 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 3di5 h GLU 29 Cb 0.12 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3di5 h GLU 29 CO -0.16 0.76 -0.03 0.66 -1.18 0.00 0.00 179.01 179.07 3di5 h SER 30 N 0.75 0.00 -0.14 1.04 4.64 -1.83 -2.47 113.55 115.54 3di5 h SER 30 Ca 0.17 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.53 3di5 h SER 30 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3di5 h SER 30 CO -0.01 0.03 0.12 -0.07 -0.87 0.00 0.00 176.83 176.03 3di5 h LEU 31 N 0.00 0.00 -0.16 5.97 3.38 -1.45 -0.44 115.31 122.61 3di5 h LEU 31 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3di5 h LEU 31 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3di5 h LEU 31 CO 0.00 0.00 -0.04 -1.54 0.09 0.00 0.00 178.44 176.95 3di5 n SER 32 N -4.13 0.29 -4.71 -0.43 3.41 -0.93 -1.28 113.62 105.84 3di5 n SER 32 Ca 0.00 -0.66 -0.42 0.00 -0.26 0.00 0.00 58.87 57.53 3di5 n SER 32 Cb 0.24 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 3di5 n SER 32 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3di5 s GLN 33 N -2.32 4.21 -0.01 4.33 2.00 -0.18 -4.75 119.66 122.94 3di5 s GLN 33 Ca 0.35 2.35 0.02 0.00 -2.00 0.00 0.00 55.36 56.08 3di5 s GLN 33 Cb 0.21 -3.31 -0.03 0.00 0.80 0.00 0.00 33.01 30.67 3di5 s GLN 33 CO 0.43 -0.65 -0.03 -1.83 -0.50 0.00 0.00 175.29 172.71 3di5 s GLU 34 N 1.65 2.71 0.22 1.67 -1.05 -1.26 -0.50 118.70 122.14 3di5 s GLU 34 Ca 0.71 -0.63 -0.09 0.00 -0.15 0.00 0.00 54.97 54.82 3di5 s GLU 34 Cb -0.42 -2.61 0.23 0.00 -0.44 0.00 0.00 34.13 30.89 3di5 s GLU 34 CO 0.32 0.63 1.85 0.82 0.95 0.00 0.00 175.26 179.82 3di5 h ILE 35 N 3.74 1.07 -1.73 1.83 2.04 -1.53 -3.47 117.51 119.45 3di5 h ILE 35 Ca -0.49 -0.30 0.24 0.00 1.00 0.00 0.00 64.86 65.31 3di5 h ILE 35 Cb 1.17 0.11 -0.14 0.00 -0.74 0.00 0.00 36.82 37.22 3di5 h ILE 35 CO 0.55 0.16 0.72 0.00 0.00 0.00 0.00 178.15 179.58 3di5 s ALA 36 N -6.10 -2.02 0.13 1.87 0.00 -1.26 -5.03 121.76 109.34 3di5 s ALA 36 Ca -0.13 0.97 -0.32 0.00 0.00 0.00 0.00 51.96 52.48 3di5 s ALA 36 Cb 0.16 0.25 -0.12 0.00 0.00 0.00 0.00 23.12 23.41 3di5 s ALA 36 CO 0.77 -0.83 1.76 -2.30 0.00 0.00 0.00 175.76 175.16 3di5 n PRO 37 N -0.31 2.58 -0.64 0.00 -0.02 -1.26 -1.48 135.00 133.88 3di5 n PRO 37 Ca -0.05 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3di5 n PRO 37 Cb 0.61 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 3di5 n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3di5 n GLY 38 N 4.00 0.72 3.77 -1.23 0.00 -1.26 -5.04 105.19 106.15 3di5 n GLY 38 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3di5 n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3di5 s HIS 39 N -2.37 2.14 0.63 1.61 3.76 -0.55 -5.11 115.29 115.40 3di5 s HIS 39 Ca 0.00 -0.77 -0.19 0.00 -0.15 0.00 0.00 55.06 53.96 3di5 s HIS 39 Cb 0.00 -1.83 -0.02 0.00 1.11 0.00 0.00 32.58 31.84 3di5 s HIS 39 CO 0.00 0.07 1.24 0.91 -0.85 0.00 0.00 174.74 176.11 3di5 n TRP 40 N -1.34 1.76 -2.90 1.40 7.02 -1.26 -4.68 117.44 117.43 3di5 n TRP 40 Ca -0.07 0.42 -0.21 0.00 -1.02 0.00 0.00 57.50 56.62 3di5 n TRP 40 Cb 0.65 -2.25 0.02 0.00 -2.42 0.00 0.00 31.31 27.31 3di5 n TRP 40 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 3di5 s THR 41 N -1.40 3.38 0.25 -0.99 -4.23 -1.26 -1.48 115.64 109.91 3di5 s THR 41 Ca 0.80 -0.66 -0.05 0.00 -1.18 0.00 0.00 61.69 60.59 3di5 s THR 41 Cb -0.39 -3.24 0.25 0.00 1.34 0.00 0.00 72.50 70.46 3di5 s THR 41 CO 0.43 -0.15 1.91 0.25 -0.54 0.00 0.00 174.62 176.51 3di5 h LEU 42 N 0.34 1.08 -0.98 4.79 5.85 -0.75 -1.27 115.31 124.37 3di5 h LEU 42 Ca -0.44 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.35 3di5 h LEU 42 Cb 1.27 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.98 3di5 h LEU 42 CO 0.54 0.75 0.63 1.23 -0.34 0.00 0.00 178.44 181.24 3di5 h GLY 43 N 1.26 1.54 0.94 3.75 0.00 -1.44 -0.76 103.07 108.36 3di5 h GLY 43 Ca 0.38 -0.44 -0.18 0.00 0.00 0.00 0.00 47.33 47.08 3di5 h GLY 43 CO -0.11 0.26 -0.69 -0.09 0.00 0.00 0.00 176.54 175.91 3di5 h ARG 44 N 1.08 0.54 -0.74 4.80 2.43 -1.63 -1.68 114.38 119.18 3di5 h ARG 44 Ca 0.45 -0.53 0.15 0.00 -0.81 0.00 0.00 59.98 59.24 3di5 h ARG 44 Cb 0.29 0.14 -0.10 0.00 -0.42 0.00 0.00 29.97 29.88 3di5 h ARG 44 CO -0.21 1.16 0.26 0.28 -1.51 0.00 0.00 179.97 179.94 3di5 h VAL 45 N 0.13 0.60 -0.16 0.20 2.07 -1.09 -0.76 116.25 117.24 3di5 h VAL 45 Ca -0.07 -0.13 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 3di5 h VAL 45 Cb 1.37 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3di5 h VAL 45 CO 0.14 0.07 -0.39 0.00 0.02 0.00 0.00 177.57 177.40 3di5 h ALA 46 N 1.57 0.27 -0.07 1.67 0.00 -1.06 -2.76 119.26 118.89 3di5 h ALA 46 Ca 0.41 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3di5 h ALA 46 Cb 0.66 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3di5 h ALA 46 CO -0.44 0.37 -0.32 2.35 0.00 0.00 0.00 179.25 181.20 3di5 h TRP 47 N 0.20 0.14 -0.65 0.00 -0.00 -1.24 -2.66 115.95 111.74 3di5 h TRP 47 Ca -0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.83 3di5 h TRP 47 Cb 1.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.16 30.10 3di5 h TRP 47 CO 0.10 0.44 0.30 1.25 -0.00 0.00 0.00 178.44 180.52 3di5 h HIS 48 N 0.11 0.93 -0.42 2.65 2.76 -0.94 -1.14 115.15 119.10 3di5 h HIS 48 Ca 0.01 -0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.09 3di5 h HIS 48 Cb 0.63 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 3di5 h HIS 48 CO 0.01 0.69 0.07 0.82 -1.30 0.00 0.00 177.93 178.22 3di5 h ILE 49 N 0.93 1.24 0.08 6.26 2.04 -1.27 0.38 117.51 127.17 3di5 h ILE 49 Ca 0.22 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 3di5 h ILE 49 Cb 0.12 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3di5 h ILE 49 CO -0.03 0.30 -0.04 0.58 0.00 0.00 0.00 178.15 178.97 3di5 h VAL 50 N 0.55 0.95 0.00 1.67 2.07 -1.16 -3.11 116.25 117.23 3di5 h VAL 50 Ca 0.13 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 3di5 h VAL 50 Cb 0.37 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3di5 h VAL 50 CO 0.01 0.02 -0.39 0.71 0.02 0.00 0.00 177.57 177.94 3di5 h THR 51 N -0.15 0.86 -0.00 2.57 1.35 -1.13 -3.01 112.91 113.40 3di5 h THR 51 Ca -0.01 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 3di5 h THR 51 Cb 0.12 2.00 -0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3di5 h THR 51 CO 0.02 0.38 0.04 0.00 -0.25 0.00 0.00 175.52 175.71 3di5 h ALA 52 N 1.61 1.08 0.55 6.62 0.00 -0.84 -3.00 119.26 125.29 3di5 h ALA 52 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3di5 h ALA 52 Cb 0.97 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.76 3di5 h ALA 52 CO 0.05 -0.04 -0.26 0.82 0.00 0.00 0.00 179.25 179.81 3di5 h ILE 53 N 0.00 0.00 0.00 0.00 2.04 -1.62 -1.06 117.51 116.86 3di5 h ILE 53 Ca 0.00 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3di5 h ILE 53 Cb 0.08 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 3di5 h ILE 53 CO -0.00 0.00 -0.02 1.55 0.00 0.00 0.00 178.15 179.68 3di5 h PRO 54 N -1.14 0.00 0.03 2.37 0.13 -1.79 -2.45 132.00 129.15 3di5 h PRO 54 Ca -0.08 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.94 3di5 h PRO 54 Cb 0.57 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.71 3di5 h PRO 54 CO 0.12 0.02 -0.45 0.28 -0.23 0.00 0.00 178.00 177.74 3di5 h VAL 55 N 0.00 1.54 -0.34 1.56 2.07 -1.37 -2.60 116.25 117.11 3di5 h VAL 55 Ca -0.00 -2.17 -0.12 0.00 0.82 0.00 0.00 66.70 65.23 3di5 h VAL 55 Cb 0.07 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 3di5 h VAL 55 CO 0.00 0.61 -0.26 0.40 0.02 0.00 0.00 177.57 178.34 3di5 h ILE 56 N -0.42 1.27 -0.00 4.57 2.04 -1.22 -3.13 117.51 120.62 3di5 h ILE 56 Ca -0.07 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.43 3di5 h ILE 56 Cb 1.24 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 3di5 h ILE 56 CO 0.09 0.45 -0.09 0.18 0.00 0.00 0.00 178.15 178.78 3di5 n LEU 57 N -4.10 0.58 -0.33 1.44 4.77 -0.93 -4.31 117.00 114.12 3di5 n LEU 57 Ca -0.00 -0.08 -0.04 0.00 -0.03 0.00 0.00 56.01 55.86 3di5 n LEU 57 Cb 0.44 -0.13 0.09 0.00 -2.33 0.00 0.00 43.42 41.49 3di5 n LEU 57 CO 0.44 0.10 1.18 0.77 -1.33 0.00 0.00 177.39 178.56 3di5 h SER 58 N 0.77 1.10 0.79 -1.43 4.64 -1.40 -1.54 113.55 116.48 3di5 h SER 58 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3di5 h SER 58 Cb 0.34 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3di5 h SER 58 CO 0.00 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 3di5 n GLY 59 N -1.16 -1.29 0.24 -0.77 0.00 -1.26 -2.19 105.19 98.76 3di5 n GLY 59 Ca 0.09 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.29 3di5 n GLY 59 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3di5 h THR 60 N 0.00 0.06 0.00 2.61 1.35 -1.56 -3.36 112.91 112.02 3di5 h THR 60 Ca 0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3di5 h THR 60 Cb 0.40 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3di5 h THR 60 CO 0.00 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 3di5 n GLY 61 N 0.63 1.77 3.62 5.82 0.00 -0.93 -4.99 105.19 111.11 3di5 n GLY 61 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3di5 n GLY 61 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3di5 s LEU 62 N 0.00 3.72 -0.16 0.99 2.96 -1.26 -4.97 118.68 119.96 3di5 s LEU 62 Ca 0.00 1.50 -0.06 0.00 -0.22 0.00 0.00 54.13 55.34 3di5 s LEU 62 Cb 0.00 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 3di5 s LEU 62 CO 0.00 -1.47 0.06 -0.54 -1.32 0.00 0.00 176.35 173.08 3di5 s LYS 63 N 5.14 3.76 0.06 1.98 3.01 -1.26 -4.82 119.74 127.60 3di5 s LYS 63 Ca 0.76 -0.33 -0.26 0.00 -1.01 0.00 0.00 55.97 55.13 3di5 s LYS 63 Cb -0.24 -3.14 0.08 0.00 -1.01 0.00 0.00 37.83 33.52 3di5 s LYS 63 CO 0.32 0.40 0.73 -0.59 0.51 0.00 0.00 175.35 176.72 3di5 s PHE 64 N 0.01 -0.48 0.27 3.18 -0.12 -1.26 -4.93 117.98 114.65 3di5 s PHE 64 Ca 0.06 0.42 -0.29 0.00 -0.05 0.00 0.00 56.93 57.07 3di5 s PHE 64 Cb -0.12 0.53 -0.10 0.00 -0.63 0.00 0.00 43.02 42.70 3di5 s PHE 64 CO 0.01 -0.69 1.26 -2.00 -0.05 0.00 0.00 175.22 173.75 3di5 s GLU 65 N -3.02 4.44 0.00 1.99 -6.30 -1.26 -5.00 118.70 109.54 3di5 s GLU 65 Ca 0.00 2.05 0.00 0.00 -2.50 0.00 0.00 54.97 54.53 3di5 s GLU 65 Cb -0.01 -3.15 0.00 0.00 0.00 0.00 0.00 34.13 30.98 3di5 s GLU 65 CO -0.08 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.50 3di5 n GLY 66 N 1.47 2.29 3.71 -1.50 0.00 -1.26 -4.74 105.19 105.15 3di5 n GLY 66 Ca 0.02 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3di5 n GLY 66 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3di5 n GLU 67 N -0.06 2.25 -0.00 1.61 4.07 -1.26 -4.90 120.64 122.34 3di5 n GLU 67 Ca 0.00 0.79 0.02 0.00 -0.06 0.00 0.00 57.16 57.91 3di5 n GLU 67 Cb 0.00 -2.44 -0.03 0.00 -0.06 0.00 0.00 31.44 28.91 3di5 n GLU 67 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3di5 n THR 68 N 1.05 0.00 -3.24 6.31 -2.24 -1.26 -4.45 114.28 110.45 3di5 n THR 68 Ca 0.07 -0.26 -0.40 0.00 -2.27 0.00 0.00 64.05 61.19 3di5 n THR 68 Cb 0.35 0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 69.23 3di5 n THR 68 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3di5 s LYS 69 N -1.82 4.04 -0.00 -0.78 3.01 -1.26 -4.88 119.74 118.05 3di5 s LYS 69 Ca 0.00 0.28 0.09 0.00 -1.01 0.00 0.00 55.97 55.33 3di5 s LYS 69 Cb 0.03 -3.66 0.26 0.00 -1.01 0.00 0.00 37.83 33.44 3di5 s LYS 69 CO 0.18 -0.36 1.21 -0.40 0.51 0.00 0.00 175.35 176.49 3di5 n ASP 70 N 5.54 1.55 -3.79 2.83 5.75 -1.26 -4.70 116.55 122.48 3di5 n ASP 70 Ca -0.04 -2.00 -0.14 0.00 -0.01 0.00 0.00 54.79 52.60 3di5 n ASP 70 Cb 0.50 -0.20 -0.15 0.00 -1.03 0.00 0.00 41.12 40.25 3di5 n ASP 70 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3di5 s TYR 71 N -1.61 -0.06 0.79 2.11 5.04 -1.26 -4.37 117.35 118.00 3di5 s TYR 71 Ca 0.19 0.24 -0.12 0.00 -2.44 0.00 0.00 57.07 54.95 3di5 s TYR 71 Cb 0.10 -0.11 0.07 0.00 0.35 0.00 0.00 41.96 42.37 3di5 s TYR 71 CO 0.13 -0.09 1.10 -1.25 -1.34 0.00 0.00 175.55 174.10 3di5 s PRO 72 N 0.76 2.13 -0.10 4.97 0.04 -1.26 -5.15 135.00 136.38 3di5 s PRO 72 Ca -0.06 0.59 -0.11 0.00 0.04 0.00 0.00 61.00 61.45 3di5 s PRO 72 Cb -0.08 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 3di5 s PRO 72 CO -0.03 -1.58 0.26 0.08 0.04 0.00 0.00 177.00 175.77 3di5 s VAL 73 N -3.20 5.31 0.56 -0.36 1.01 -1.26 -5.07 120.40 117.39 3di5 s VAL 73 Ca 0.61 0.48 -0.20 0.00 0.00 0.00 0.00 61.98 62.87 3di5 s VAL 73 Cb -0.14 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 3di5 s VAL 73 CO 0.54 0.53 1.09 -2.65 0.00 0.00 0.00 175.10 174.60 3di5 n PRO 74 N 2.52 1.19 0.00 2.72 -0.02 -1.26 -4.94 135.00 135.22 3di5 n PRO 74 Ca -0.16 0.45 0.12 0.00 -2.02 0.00 0.00 63.50 61.89 3di5 n PRO 74 Cb 0.53 -2.26 0.22 0.00 -0.02 0.00 0.00 33.50 31.97 3di5 n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3di5 n THR 75 N -1.34 0.00 -4.66 3.45 -2.24 -1.26 -4.87 114.28 103.37 3di5 n THR 75 Ca 0.12 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.55 3di5 n THR 75 Cb 0.45 0.37 -0.14 0.00 -2.10 0.00 0.00 70.33 68.91 3di5 n THR 75 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3di5 s SER 76 N -2.93 4.25 0.55 3.42 0.15 -1.26 -4.82 113.70 113.06 3di5 s SER 76 Ca 0.12 -0.27 0.34 0.00 0.70 0.00 0.00 55.95 56.85 3di5 s SER 76 Cb 0.18 -1.66 1.41 0.00 -1.71 0.00 0.00 66.02 64.23 3di5 s SER 76 CO 0.69 0.17 1.99 0.00 1.20 0.00 0.00 173.24 177.29 3di5 h ALA 77 N 6.71 1.00 -0.27 5.45 0.00 -1.89 -2.25 119.26 128.01 3di5 h ALA 77 Ca -0.27 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 3di5 h ALA 77 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3di5 h ALA 77 CO 0.58 0.00 -0.48 -0.22 0.00 0.00 0.00 179.25 179.13 3di5 h LYS 78 N 0.00 0.72 -0.89 0.00 3.64 -1.93 -1.67 116.57 116.43 3di5 h LYS 78 Ca 0.00 -0.41 0.01 0.00 -1.27 0.00 0.00 60.65 58.98 3di5 h LYS 78 Cb 0.48 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 3di5 h LYS 78 CO 0.00 1.03 0.59 1.15 -2.27 0.00 0.00 179.45 179.95 3di5 h THR 79 N 0.57 1.21 0.20 1.00 2.02 -1.83 -1.52 112.91 114.56 3di5 h THR 79 Ca 0.03 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3di5 h THR 79 Cb 1.04 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3di5 h THR 79 CO 0.10 0.22 -0.10 0.40 0.37 0.00 0.00 175.52 176.51 3di5 h ILE 80 N 1.19 0.88 -0.95 3.11 2.04 -1.43 0.10 117.51 122.44 3di5 h ILE 80 Ca 0.33 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.36 3di5 h ILE 80 Cb -0.11 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 3di5 h ILE 80 CO -0.08 0.18 0.62 0.00 0.00 0.00 0.00 178.15 178.86 3di5 h ALA 81 N -0.07 1.21 -0.17 1.87 0.00 -1.35 -1.15 119.26 119.60 3di5 h ALA 81 Ca -0.03 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3di5 h ALA 81 Cb 0.49 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3di5 h ALA 81 CO 0.05 0.63 -0.26 -0.44 0.00 0.00 0.00 179.25 179.22 3di5 h ASP 82 N 1.30 0.52 -0.67 0.00 5.19 -1.31 -2.23 116.42 119.22 3di5 h ASP 82 Ca 0.35 -0.53 0.13 0.00 -0.62 0.00 0.00 57.03 56.36 3di5 h ASP 82 Cb -0.12 -0.15 -0.13 0.00 0.18 0.00 0.00 39.33 39.11 3di5 h ASP 82 CO -0.07 0.95 -0.22 1.23 -3.12 0.00 0.00 179.24 178.00 3di5 h GLY 83 N 0.11 0.34 0.87 2.75 0.00 -0.80 0.58 103.07 106.92 3di5 h GLY 83 Ca 0.01 0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.66 3di5 h GLY 83 CO 0.06 -0.25 0.28 -1.82 0.00 0.00 0.00 176.54 174.81 3di5 h TYR 84 N -0.05 0.52 -0.15 5.60 3.20 -1.11 -1.59 116.97 123.39 3di5 h TYR 84 Ca 0.31 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.20 3di5 h TYR 84 Cb 0.53 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3di5 h TYR 84 CO -0.59 0.29 0.10 -0.09 -1.64 0.00 0.00 178.16 176.24 3di5 h ARG 85 N 0.56 0.20 0.16 1.82 2.43 -0.74 -1.61 114.38 117.20 3di5 h ARG 85 Ca 0.19 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3di5 h ARG 85 Cb 0.03 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3di5 h ARG 85 CO -0.09 0.13 -0.13 -0.22 -1.51 0.00 0.00 179.97 178.15 3di5 h LYS 86 N 0.20 -0.29 -0.02 0.20 3.64 -0.73 -2.10 116.57 117.48 3di5 h LYS 86 Ca 0.06 0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.28 3di5 h LYS 86 Cb -0.02 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3di5 h LYS 86 CO -0.01 -0.19 -0.78 -0.24 -2.27 0.00 0.00 179.45 175.96 3di5 h VAL 87 N -0.30 1.47 -0.64 2.00 3.04 -1.26 -1.80 116.25 118.77 3di5 h VAL 87 Ca -0.01 -2.43 -0.01 0.00 -1.01 0.00 0.00 66.70 63.24 3di5 h VAL 87 Cb 0.27 2.32 -0.03 0.00 -2.01 0.00 0.00 31.29 31.84 3di5 h VAL 87 CO -0.01 0.71 0.35 -1.13 -1.01 0.00 0.00 177.57 176.47 3di5 h ASN 88 N 0.11 0.80 -0.46 3.17 -1.24 -1.25 0.08 115.58 116.79 3di5 h ASN 88 Ca -0.03 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 56.87 3di5 h ASN 88 Cb 1.36 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 40.19 3di5 h ASN 88 CO 0.12 0.66 0.21 0.74 -1.29 0.00 0.00 177.43 177.86 3di5 h THR 89 N 0.87 1.20 -0.40 -3.57 2.02 -1.13 -1.03 112.91 110.87 3di5 h THR 89 Ca 0.22 -0.58 -0.07 0.00 0.77 0.00 0.00 66.41 66.76 3di5 h THR 89 Cb 0.04 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3di5 h THR 89 CO -0.04 0.22 -0.04 0.00 0.37 0.00 0.00 175.52 176.03 3di5 h ALA 90 N 1.05 1.18 0.56 6.16 0.00 -1.18 -0.98 119.26 126.06 3di5 h ALA 90 Ca 0.16 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3di5 h ALA 90 Cb 0.15 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3di5 h ALA 90 CO -0.02 0.53 -0.27 0.35 0.00 0.00 0.00 179.25 179.84 3di5 h PHE 91 N 0.61 -0.70 -0.07 0.00 3.57 -0.60 -2.21 116.94 117.55 3di5 h PHE 91 Ca 0.12 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 3di5 h PHE 91 Cb 0.45 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3di5 h PHE 91 CO 0.02 -0.37 -0.13 0.28 -2.23 0.00 0.00 178.31 175.88 3di5 h VAL 92 N -1.01 1.13 -0.33 1.41 2.07 -1.15 0.66 116.25 119.03 3di5 h VAL 92 Ca -0.08 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 66.74 3di5 h VAL 92 Cb 0.65 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3di5 h VAL 92 CO 0.13 0.18 -0.23 -0.33 0.02 0.00 0.00 177.57 177.33 3di5 h GLU 93 N 0.10 0.63 0.01 1.57 5.08 -1.17 -2.17 114.58 118.64 3di5 h GLU 93 Ca 0.02 -0.25 -0.27 0.00 -1.00 0.00 0.00 59.36 57.87 3di5 h GLU 93 Cb 0.29 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.52 3di5 h GLU 93 CO 0.02 0.81 -1.06 0.00 -1.00 0.00 0.00 179.01 177.78 3di5 h ALA 94 N 1.19 0.13 -0.39 3.43 0.00 -0.28 -2.21 119.26 121.13 3di5 h ALA 94 Ca 0.08 -0.71 0.01 0.00 0.00 0.00 0.00 54.91 54.29 3di5 h ALA 94 Cb 0.70 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3di5 h ALA 94 CO 0.05 0.70 0.26 1.25 0.00 0.00 0.00 179.25 181.51 3di5 h LEU 95 N 0.37 0.44 -0.83 0.00 5.85 -1.15 -0.28 115.31 119.70 3di5 h LEU 95 Ca -0.13 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.45 3di5 h LEU 95 Cb 1.72 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.62 3di5 h LEU 95 CO 0.21 0.32 -0.54 1.56 -0.34 0.00 0.00 178.44 179.65 3di5 h GLN 96 N 0.52 0.13 -0.03 1.25 4.20 -1.38 -1.62 115.11 118.19 3di5 h GLN 96 Ca 0.15 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 3di5 h GLN 96 Cb -0.05 0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.74 3di5 h GLN 96 CO -0.04 0.63 -0.45 0.77 -0.67 0.00 0.00 178.83 179.08 3di5 h SER 97 N 0.10 0.45 0.00 1.46 0.02 -1.18 -3.41 113.55 111.00 3di5 h SER 97 Ca -0.00 -0.72 -0.25 0.00 -0.84 0.00 0.00 61.79 59.98 3di5 h SER 97 Cb 0.98 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.34 3di5 h SER 97 CO 0.08 1.11 -2.20 -0.62 -1.14 0.00 0.00 176.83 174.06 3di5 n GLU 98 N -4.32 0.84 -4.13 3.45 -0.58 -0.13 -4.98 120.64 110.78 3di5 n GLU 98 Ca -0.09 -0.06 -0.31 0.00 -0.42 0.00 0.00 57.16 56.28 3di5 n GLU 98 Cb 0.59 -1.48 -0.08 0.00 -0.57 0.00 0.00 31.44 29.90 3di5 n GLU 98 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3di5 s TRP 99 N -2.70 3.10 0.47 -0.32 0.52 -0.61 -5.07 118.94 114.33 3di5 s TRP 99 Ca -0.09 0.05 0.00 0.00 0.02 0.00 0.00 56.10 56.08 3di5 s TRP 99 Cb 0.07 -1.61 -0.00 0.00 -1.15 0.00 0.00 33.47 30.78 3di5 s TRP 99 CO 0.79 0.50 0.01 0.25 0.02 0.00 0.00 176.95 178.51 3di5 n THR 100 N 0.75 0.00 -0.17 2.01 -2.24 -1.26 -4.72 114.28 108.65 3di5 n THR 100 Ca -0.11 -2.25 0.16 0.00 -2.27 0.00 0.00 64.05 59.58 3di5 n THR 100 Cb 0.52 0.47 0.51 0.00 -2.10 0.00 0.00 70.33 69.73 3di5 n THR 100 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3di5 h ASP 101 N 1.16 0.39 -0.02 3.42 3.32 -1.96 -2.56 116.42 120.17 3di5 h ASP 101 Ca -0.39 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.60 3di5 h ASP 101 Cb 1.19 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3di5 h ASP 101 CO 0.65 0.20 -0.22 0.07 -1.72 0.00 0.00 179.24 178.22 3di5 h LYS 102 N 0.41 0.41 -0.03 3.56 2.10 -1.97 -2.92 116.57 118.13 3di5 h LYS 102 Ca 0.38 -0.14 0.01 0.00 -2.00 0.00 0.00 60.65 58.90 3di5 h LYS 102 Cb 0.89 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.18 3di5 h LYS 102 CO -0.12 0.61 0.07 -0.44 -2.00 0.00 0.00 179.45 177.56 3di5 h ASP 103 N 0.37 0.00 0.45 7.07 3.32 -1.86 -0.45 116.42 125.32 3di5 h ASP 103 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3di5 h ASP 103 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3di5 h ASP 103 CO 0.04 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.49 3di5 h LEU 104 N 0.00 0.00 0.00 1.55 3.38 -1.66 -2.59 115.31 115.99 3di5 h LEU 104 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3di5 h LEU 104 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3di5 h LEU 104 CO -0.00 0.00 -0.99 0.35 0.09 0.00 0.00 178.44 177.89 3di5 n THR 105 N -3.05 0.37 -1.68 0.22 -2.24 -0.18 -1.64 114.28 106.09 3di5 n THR 105 Ca -0.01 -0.38 -0.44 0.00 -2.27 0.00 0.00 64.05 60.95 3di5 n THR 105 Cb 0.17 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 3di5 n THR 105 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3di5 n THR 106 N -2.28 0.50 -2.54 4.28 -1.04 -0.98 -4.57 114.28 107.65 3di5 n THR 106 Ca 0.01 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.05 61.50 3di5 n THR 106 Cb 0.49 -2.09 -0.02 0.00 -1.82 0.00 0.00 70.33 66.89 3di5 n THR 106 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3di5 s ILE 107 N 3.37 4.47 0.38 12.58 1.01 -1.26 -1.08 121.20 140.66 3di5 s ILE 107 Ca 0.86 1.77 0.04 0.00 0.00 0.00 0.00 60.65 63.31 3di5 s ILE 107 Cb -0.52 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 37.76 3di5 s ILE 107 CO 0.42 -0.06 0.06 0.20 0.00 0.00 0.00 174.94 175.56 3di5 s ASN 108 N 1.45 2.83 -0.30 3.58 0.01 -1.26 -4.95 114.94 116.31 3di5 s ASN 108 Ca 0.52 -1.48 -0.18 0.00 -0.71 0.00 0.00 52.86 51.01 3di5 s ASN 108 Cb -0.21 0.10 -0.02 0.00 0.41 0.00 0.00 41.25 41.53 3di5 s ASN 108 CO 0.16 -0.70 0.50 -0.62 -1.51 0.00 0.00 177.10 174.93 3di5 s ASP 109 N -3.58 6.37 -0.51 -1.22 2.15 -1.26 -4.25 116.67 114.37 3di5 s ASP 109 Ca 0.30 0.28 -0.14 0.00 0.43 0.00 0.00 52.55 53.42 3di5 s ASP 109 Cb 0.07 -2.27 0.12 0.00 -0.30 0.00 0.00 42.92 40.53 3di5 s ASP 109 CO 0.14 -0.35 0.44 0.12 -0.17 0.00 0.00 175.17 175.34 3di5 s PHE 110 N 2.33 3.30 -1.09 -5.34 5.36 0.26 -4.54 117.98 118.25 3di5 s PHE 110 Ca 0.20 -1.40 -0.16 0.00 -0.96 0.00 0.00 56.93 54.61 3di5 s PHE 110 Cb -0.16 -3.61 0.02 0.00 -0.34 0.00 0.00 43.02 38.94 3di5 s PHE 110 CO 0.11 -0.98 0.30 1.19 -1.46 0.00 0.00 175.22 174.38 3di5 n PHE 111 N 5.14 -1.05 0.00 10.12 3.72 -1.26 -1.35 117.46 132.79 3di5 n PHE 111 Ca -0.12 0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 3di5 n PHE 111 Cb 0.41 -2.21 0.00 0.00 -0.94 0.00 0.00 39.48 36.74 3di5 n PHE 111 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3di5 n GLY 112 N -2.05 2.50 3.76 1.37 0.00 -1.26 -5.06 105.19 104.44 3di5 n GLY 112 Ca -0.17 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 3di5 n GLY 112 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3di5 s ARG 113 N 0.00 3.16 0.49 1.61 1.70 -0.46 -5.08 118.95 120.38 3di5 s ARG 113 Ca 0.00 -0.31 -0.10 0.00 -0.47 0.00 0.00 55.73 54.85 3di5 s ARG 113 Cb 0.00 -2.94 -0.05 0.00 -0.57 0.00 0.00 34.95 31.38 3di5 s ARG 113 CO 0.00 0.73 0.87 -1.25 -1.08 0.00 0.00 175.30 174.57 3di5 s PRO 114 N -0.99 3.71 0.38 3.89 0.04 -1.26 0.89 135.00 141.66 3di5 s PRO 114 Ca 0.15 0.55 -0.08 0.00 0.04 0.00 0.00 61.00 61.66 3di5 s PRO 114 Cb -0.12 -2.27 -0.06 0.00 0.04 0.00 0.00 34.50 32.09 3di5 s PRO 114 CO 0.04 -0.24 0.70 -1.25 0.04 0.00 0.00 177.00 176.29 3di5 s PRO 116 N -4.40 3.70 0.45 0.56 0.04 -1.26 -4.93 135.00 129.16 3di5 s PRO 116 Ca 0.52 0.28 0.16 0.00 0.04 0.00 0.00 61.00 62.01 3di5 s PRO 116 Cb -0.10 -2.47 1.10 0.00 0.04 0.00 0.00 34.50 33.07 3di5 s PRO 116 CO 0.40 0.02 1.97 -0.91 0.04 0.00 0.00 177.00 178.52 3di5 h ASN 117 N 1.25 0.30 -0.16 6.66 2.35 -0.94 -2.32 115.58 122.73 3di5 h ASN 117 Ca -0.47 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.29 3di5 h ASN 117 Cb 1.19 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 3di5 h ASN 117 CO 0.64 0.17 0.10 0.77 -1.65 0.00 0.00 177.43 177.46 3di5 h SER 118 N 0.33 0.20 -0.09 5.81 4.64 -1.61 -1.66 113.55 121.17 3di5 h SER 118 Ca 0.29 -0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.38 3di5 h SER 118 Cb 0.69 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3di5 h SER 118 CO -0.07 0.16 -0.81 0.40 -0.87 0.00 0.00 176.83 175.64 3di5 h ILE 119 N 0.24 1.29 -0.73 0.95 1.08 -1.72 -2.44 117.51 116.18 3di5 h ILE 119 Ca 0.06 -2.02 0.16 0.00 -0.39 0.00 0.00 64.86 62.67 3di5 h ILE 119 Cb 0.00 2.04 -0.12 0.00 -3.07 0.00 0.00 36.82 35.68 3di5 h ILE 119 CO -0.01 0.64 0.11 -0.26 -0.69 0.00 0.00 178.15 177.94 3di5 h PHE 120 N 0.50 0.15 0.00 1.37 -1.00 -1.27 0.81 116.94 117.51 3di5 h PHE 120 Ca -0.06 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.77 3di5 h PHE 120 Cb 1.44 0.05 0.00 0.00 3.61 0.00 0.00 35.95 41.05 3di5 h PHE 120 CO 0.09 -0.14 0.00 1.28 -1.61 0.00 0.00 178.31 177.92 3di5 n LEU 121 N -5.22 2.17 0.00 1.54 4.77 -0.92 -1.06 117.00 118.27 3di5 n LEU 121 Ca 0.13 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 3di5 n LEU 121 Cb 0.46 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3di5 n LEU 121 CO 0.10 0.37 0.00 0.41 -1.33 0.00 0.00 177.39 176.94 3di5 n THR 123 N 0.81 0.00 -0.13 -5.08 -1.04 0.28 -2.55 114.28 106.56 3di5 n THR 123 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 3di5 n THR 123 Cb 0.33 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 68.87 3di5 n THR 123 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3di5 h LEU 124 N 0.00 0.16 -0.23 -4.42 5.85 -1.34 -1.02 115.31 114.31 3di5 h LEU 124 Ca 0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3di5 h LEU 124 Cb 0.00 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3di5 h LEU 124 CO 0.00 0.13 -0.07 0.40 -0.34 0.00 0.00 178.44 178.56 3di5 h ILE 125 N 0.32 1.29 -0.44 4.05 2.04 -1.78 -2.34 117.51 120.64 3di5 h ILE 125 Ca 0.20 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 3di5 h ILE 125 Cb 0.18 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3di5 h ILE 125 CO -0.20 0.34 0.22 0.78 0.00 0.00 0.00 178.15 179.29 3di5 h ASN 126 N 0.18 0.58 0.35 1.72 2.35 -1.82 -1.54 115.58 117.40 3di5 h ASN 126 Ca 0.06 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3di5 h ASN 126 Cb 0.54 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3di5 h ASN 126 CO 0.03 0.53 -0.18 -0.74 -1.65 0.00 0.00 177.43 175.42 3di5 h HIS 127 N 0.58 -0.47 -0.92 1.19 2.76 -1.21 -1.44 115.15 115.64 3di5 h HIS 127 Ca 0.15 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.41 3di5 h HIS 127 Cb 0.10 0.16 -0.07 0.00 1.55 0.00 0.00 27.41 29.15 3di5 h HIS 127 CO -0.01 -0.29 0.59 0.37 -1.30 0.00 0.00 177.93 177.29 3di5 h GLN 128 N -0.49 0.91 -0.19 5.26 4.15 -1.36 -2.59 115.11 120.81 3di5 h GLN 128 Ca -0.04 -0.05 -0.21 0.00 0.77 0.00 0.00 58.65 59.11 3di5 h GLN 128 Cb 0.38 -0.21 0.01 0.00 0.21 0.00 0.00 27.48 27.87 3di5 h GLN 128 CO 0.07 0.60 -0.70 -0.97 -1.93 0.00 0.00 178.83 175.90 3di5 h ASN 129 N 0.94 0.90 -0.01 -0.69 -1.24 -1.04 -0.34 115.58 114.09 3di5 h ASN 129 Ca 0.43 -0.55 0.02 0.00 0.71 0.00 0.00 56.30 56.91 3di5 h ASN 129 Cb 0.38 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.14 3di5 h ASN 129 CO -0.19 1.34 -0.14 -0.74 -1.29 0.00 0.00 177.43 176.41 3di5 h HIS 130 N 0.55 -0.37 -0.12 0.67 2.76 -0.96 -1.40 115.15 116.28 3di5 h HIS 130 Ca -0.03 0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.00 3di5 h HIS 130 Cb 1.31 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 30.43 3di5 h HIS 130 CO 0.08 -0.21 -0.59 0.45 -1.30 0.00 0.00 177.93 176.36 3di5 h HIS 131 N -0.23 0.51 -0.48 5.26 3.86 -1.44 -2.63 115.15 120.00 3di5 h HIS 131 Ca 0.05 -0.19 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 3di5 h HIS 131 Cb 0.30 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 3di5 h HIS 131 CO -0.21 0.89 0.13 -0.09 0.86 0.00 0.00 177.93 179.51 3di5 h ARG 132 N 0.30 0.72 -0.82 2.45 2.43 -1.03 -2.29 114.38 116.15 3di5 h ARG 132 Ca -0.00 -0.13 0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3di5 h ARG 132 Cb 1.11 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.48 3di5 h ARG 132 CO 0.10 0.65 0.49 0.78 -1.51 0.00 0.00 179.97 180.48 3di5 h GLY 133 N 0.90 1.23 -2.40 2.80 0.00 -0.91 -2.12 103.07 102.59 3di5 h GLY 133 Ca 0.16 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3di5 h GLY 133 CO -0.00 0.21 0.00 -1.06 0.00 0.00 0.00 176.54 175.69 3di5 n GLN 134 N -4.68 0.29 0.00 4.80 6.02 -0.86 -3.55 117.38 119.39 3di5 n GLN 134 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 3di5 n GLN 134 Cb 0.20 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.11 3di5 n GLN 134 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3di5 n THR 136 N 1.09 0.00 -0.03 5.09 -2.24 -0.80 -2.51 114.28 114.88 3di5 n THR 136 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 3di5 n THR 136 Cb 0.15 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.32 3di5 n THR 136 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3di5 h VAL 137 N 0.00 1.16 0.00 2.28 2.07 -1.86 -2.54 116.25 117.36 3di5 h VAL 137 Ca 0.00 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3di5 h VAL 137 Cb 0.00 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3di5 h VAL 137 CO 0.00 0.15 0.00 0.18 0.02 0.00 0.00 177.57 177.92 3di5 n LEU 138 N -4.88 0.76 0.00 2.57 4.77 -1.04 -1.44 117.00 117.73 3di5 n LEU 138 Ca -0.05 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 3di5 n LEU 138 Cb 0.13 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3di5 n LEU 138 CO 0.35 0.13 0.00 -1.14 -1.33 0.00 0.00 177.39 175.39 3di5 n ARG 140 N 0.86 0.00 0.22 3.23 3.00 -0.96 -0.52 116.66 122.49 3di5 n ARG 140 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.92 3di5 n ARG 140 Cb 0.13 0.00 0.49 0.00 0.00 0.00 0.00 32.46 33.07 3di5 n ARG 140 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3di5 h GLN 141 N 0.00 0.00 -0.00 -0.14 4.20 -1.52 -1.50 115.11 116.15 3di5 h GLN 141 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3di5 h GLN 141 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3di5 h GLN 141 CO 0.00 0.27 -0.00 0.00 -0.67 0.00 0.00 178.83 178.43 3di5 n ALA 142 N -2.36 2.68 -1.32 3.87 0.00 0.32 -4.91 120.51 118.79 3di5 n ALA 142 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.20 3di5 n ALA 142 Cb 0.36 -1.50 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 3di5 n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3di5 n GLY 143 N 1.02 0.42 3.93 0.00 0.00 -0.56 -4.94 105.19 105.06 3di5 n GLY 143 Ca 0.23 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 3di5 n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3di5 s LEU 144 N -0.25 4.13 -0.31 0.99 1.43 -1.26 -5.03 118.68 118.38 3di5 s LEU 144 Ca 0.00 0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 53.37 3di5 s LEU 144 Cb 0.00 -3.27 -0.01 0.00 0.03 0.00 0.00 46.19 42.94 3di5 s LEU 144 CO 0.00 -0.16 0.56 0.42 0.23 0.00 0.00 176.35 177.40 3di5 s THR 145 N -2.07 5.00 -0.26 5.49 -4.23 -1.26 -4.31 115.64 114.00 3di5 s THR 145 Ca 0.40 0.71 -0.22 0.00 -1.18 0.00 0.00 61.69 61.39 3di5 s THR 145 Cb -0.10 -3.94 -0.01 0.00 1.34 0.00 0.00 72.50 69.79 3di5 s THR 145 CO 0.31 -0.10 0.72 -0.69 -0.54 0.00 0.00 174.62 174.32 3di5 s VAL 146 N 2.47 4.90 0.45 2.29 1.01 -1.26 -5.03 120.40 125.23 3di5 s VAL 146 Ca 0.22 1.25 -0.24 0.00 0.00 0.00 0.00 61.98 63.21 3di5 s VAL 146 Cb -0.15 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.12 3di5 s VAL 146 CO 0.12 -0.07 1.28 -2.16 0.00 0.00 0.00 175.10 174.27 3di5 s PRO 147 N 2.69 3.72 0.88 2.72 0.04 -1.26 -5.00 135.00 138.79 3di5 s PRO 147 Ca 0.30 2.07 -0.11 0.00 0.04 0.00 0.00 61.00 63.30 3di5 s PRO 147 Cb -0.15 -2.54 0.12 0.00 0.04 0.00 0.00 34.50 31.97 3di5 s PRO 147 CO 0.09 -0.67 1.09 0.20 0.04 0.00 0.00 177.00 177.75 3di5 s GLY 148 N -0.96 1.63 -0.10 0.56 0.00 -1.26 -5.09 107.32 102.10 3di5 s GLY 148 Ca 0.62 0.04 -0.10 0.00 0.00 0.00 0.00 44.72 45.28 3di5 s GLY 148 CO 0.45 0.51 0.28 0.54 0.00 0.00 0.00 173.10 174.88 3di5 s VAL 149 N -2.89 0.00 0.00 1.40 0.11 -1.26 -5.03 120.40 112.74 3di5 s VAL 149 Ca 0.63 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.65 3di5 s VAL 149 Cb -0.18 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 3di5 s VAL 149 CO 0.57 -0.02 0.00 -1.22 -3.33 0.00 0.00 175.10 171.10