#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tir n ASP 2 N 0.00 0.00 -0.44 6.43 2.03 -1.26 0.06 116.55 123.37 2tir n ASP 2 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 2tir n ASP 2 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 2tir n ASP 2 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2tir n LYS 3 N -1.71 1.56 -2.84 -0.67 2.85 -1.26 -4.95 118.16 111.15 2tir n LYS 3 Ca 0.00 -0.95 -0.41 0.00 -1.05 0.00 0.00 58.31 55.91 2tir n LYS 3 Cb 0.00 -1.34 -0.04 0.00 -0.65 0.00 0.00 35.03 33.00 2tir n LYS 3 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2tir s ILE 4 N -2.02 4.69 -0.03 0.58 1.01 0.11 -4.61 121.20 120.93 2tir s ILE 4 Ca 0.16 1.87 -0.24 0.00 0.00 0.00 0.00 60.65 62.43 2tir s ILE 4 Cb 0.15 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 2tir s ILE 4 CO 0.43 0.30 0.73 -0.63 0.00 0.00 0.00 174.94 175.77 2tir s ILE 5 N 0.21 4.95 -0.47 2.92 1.01 -0.01 -4.95 121.20 124.86 2tir s ILE 5 Ca 0.44 1.52 -0.18 0.00 0.00 0.00 0.00 60.65 62.44 2tir s ILE 5 Cb -0.21 -4.07 0.05 0.00 0.01 0.00 0.00 42.46 38.24 2tir s ILE 5 CO 0.26 0.28 0.51 -2.28 0.00 0.00 0.00 174.94 173.71 2tir s HIS 6 N 0.54 3.14 0.41 3.97 5.65 -1.26 -0.08 115.29 127.66 2tir s HIS 6 Ca 0.38 -0.60 -0.15 0.00 0.25 0.00 0.00 55.06 54.95 2tir s HIS 6 Cb -0.19 -3.25 -0.08 0.00 -1.18 0.00 0.00 32.58 27.89 2tir s HIS 6 CO 0.20 -0.87 0.83 -0.51 -0.65 0.00 0.00 174.74 173.74 2tir s LEU 7 N 2.21 3.87 0.29 8.88 1.43 0.33 -4.96 118.68 130.73 2tir s LEU 7 Ca 0.11 1.35 0.04 0.00 -1.03 0.00 0.00 54.13 54.61 2tir s LEU 7 Cb -0.20 -4.22 -0.06 0.00 0.03 0.00 0.00 46.19 41.74 2tir s LEU 7 CO 0.11 -0.38 0.01 0.42 0.23 0.00 0.00 176.35 176.75 2tir s THR 8 N -2.28 1.25 0.32 5.49 -4.23 -1.26 -4.63 115.64 110.30 2tir s THR 8 Ca 0.55 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 2tir s THR 8 Cb -0.10 -2.58 0.19 0.00 1.34 0.00 0.00 72.50 71.35 2tir s THR 8 CO 0.24 -0.16 1.90 0.44 -0.54 0.00 0.00 174.62 176.50 2tir h ASP 9 N 2.26 0.66 -0.96 3.99 3.32 -1.92 -1.49 116.42 122.28 2tir h ASP 9 Ca -0.40 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 56.57 2tir h ASP 9 Cb 1.24 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 2tir h ASP 9 CO 0.68 0.61 0.63 0.44 -1.72 0.00 0.00 179.24 179.88 2tir h ASP 10 N 0.72 1.10 0.37 6.45 3.32 -2.01 -3.26 116.42 123.11 2tir h ASP 10 Ca 0.17 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2tir h ASP 10 Cb 0.18 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2tir h ASP 10 CO -0.01 0.80 -0.66 -1.54 -1.72 0.00 0.00 179.24 176.10 2tir n SER 11 N -4.41 0.64 -0.33 6.45 3.41 -0.98 -4.53 113.62 113.87 2tir n SER 11 Ca 0.11 -0.44 0.06 0.00 -0.26 0.00 0.00 58.87 58.34 2tir n SER 11 Cb 0.01 0.48 0.25 0.00 -0.26 0.00 0.00 64.21 64.69 2tir n SER 11 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2tir h PHE 12 N 0.00 1.07 -0.21 7.33 3.04 -1.32 0.30 116.94 127.14 2tir h PHE 12 Ca 0.00 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 2tir h PHE 12 Cb 0.52 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 2tir h PHE 12 CO 0.00 0.49 0.05 0.22 -2.02 0.00 0.00 178.31 177.05 2tir h ASP 13 N 0.99 0.32 -0.20 0.41 3.58 -1.81 0.06 116.42 119.76 2tir h ASP 13 Ca 0.44 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.62 2tir h ASP 13 Cb 0.37 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2tir h ASP 13 CO -0.20 0.46 -0.05 0.74 -2.88 0.00 0.00 179.24 177.31 2tir h THR 14 N 0.16 1.29 -0.01 2.25 2.02 -1.61 0.11 112.91 117.13 2tir h THR 14 Ca 0.07 -1.04 -0.17 0.00 0.77 0.00 0.00 66.41 66.04 2tir h THR 14 Cb 0.27 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 2tir h THR 14 CO 0.00 0.31 -0.77 0.44 0.37 0.00 0.00 175.52 175.87 2tir h ASP 15 N 0.11 0.11 0.00 4.18 5.19 -0.94 -3.24 116.42 121.83 2tir h ASP 15 Ca 0.05 -0.08 -0.13 0.00 -0.62 0.00 0.00 57.03 56.25 2tir h ASP 15 Cb 0.50 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 2tir h ASP 15 CO 0.02 0.84 -1.23 0.52 -3.12 0.00 0.00 179.24 176.26 2tir n VAL 16 N -3.68 0.82 0.11 -1.35 0.31 -0.00 -4.29 118.33 110.25 2tir n VAL 16 Ca -0.02 -0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.26 2tir n VAL 16 Cb 0.74 -1.72 0.08 0.00 -0.91 0.00 0.00 33.84 32.03 2tir n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2tir h LEU 17 N -0.39 0.09 -1.25 7.52 3.38 -1.24 -2.95 115.31 120.49 2tir h LEU 17 Ca -0.19 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2tir h LEU 17 Cb 0.98 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2tir h LEU 17 CO -0.12 0.78 -0.18 0.29 0.09 0.00 0.00 178.44 179.31 2tir n LYS 18 N -3.72 1.64 -2.21 1.13 4.01 0.32 -3.67 118.16 115.67 2tir n LYS 18 Ca -0.02 -1.25 -0.35 0.00 -0.51 0.00 0.00 58.31 56.18 2tir n LYS 18 Cb 0.70 -1.47 0.01 0.00 -0.51 0.00 0.00 35.03 33.76 2tir n LYS 18 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2tir s ALA 19 N -2.22 2.69 -0.08 7.82 0.00 -1.11 -5.01 121.76 123.85 2tir s ALA 19 Ca 0.27 0.88 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 2tir s ALA 19 Cb 0.20 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 2tir s ALA 19 CO 0.42 -0.84 0.28 0.16 0.00 0.00 0.00 175.76 175.78 2tir s ASP 20 N -1.69 6.57 0.00 0.00 1.47 -1.26 -4.61 116.67 117.14 2tir s ASP 20 Ca 0.73 0.67 0.00 0.00 1.18 0.00 0.00 52.55 55.13 2tir s ASP 20 Cb -0.26 -2.17 0.00 0.00 -0.34 0.00 0.00 42.92 40.15 2tir s ASP 20 CO 0.29 0.30 0.00 0.61 0.68 0.00 0.00 175.17 177.05 2tir n GLY 21 N 2.26 0.46 3.74 2.12 0.00 -1.26 -4.94 105.19 107.57 2tir n GLY 21 Ca -0.16 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 2tir n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tir s ALA 22 N -2.33 3.35 -0.10 4.61 0.00 -1.26 -4.55 121.76 121.48 2tir s ALA 22 Ca 0.00 0.75 0.03 0.00 0.00 0.00 0.00 51.96 52.73 2tir s ALA 22 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.82 2tir s ALA 22 CO 0.00 -0.09 -0.18 0.42 0.00 0.00 0.00 175.76 175.91 2tir s ILE 23 N -0.52 1.65 -0.23 0.00 -1.09 -0.72 -1.29 121.20 118.99 2tir s ILE 23 Ca 0.47 -0.76 -0.13 0.00 -2.23 0.00 0.00 60.65 57.99 2tir s ILE 23 Cb -0.28 -1.47 -0.04 0.00 -1.58 0.00 0.00 42.46 39.09 2tir s ILE 23 CO 0.34 0.47 0.30 -0.22 -1.23 0.00 0.00 174.94 174.60 2tir s LEU 24 N 0.70 4.11 -0.17 2.97 1.98 -0.04 -0.62 118.68 127.61 2tir s LEU 24 Ca -0.12 0.30 -0.03 0.00 -2.89 0.00 0.00 54.13 51.38 2tir s LEU 24 Cb -0.16 -2.33 -0.02 0.00 0.66 0.00 0.00 46.19 44.34 2tir s LEU 24 CO 0.03 -0.05 -0.04 -0.69 -1.89 0.00 0.00 176.35 173.71 2tir s VAL 25 N 1.40 3.72 -0.36 1.68 1.01 0.67 -1.31 120.40 127.21 2tir s VAL 25 Ca 0.13 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.58 2tir s VAL 25 Cb -0.15 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 2tir s VAL 25 CO 0.07 0.47 0.24 -0.62 0.00 0.00 0.00 175.10 175.27 2tir s ASP 26 N 0.64 5.99 -0.40 3.32 2.15 -0.38 -0.80 116.67 127.19 2tir s ASP 26 Ca -0.03 -0.60 -0.20 0.00 0.43 0.00 0.00 52.55 52.16 2tir s ASP 26 Cb -0.15 -2.12 0.01 0.00 -0.30 0.00 0.00 42.92 40.37 2tir s ASP 26 CO 0.02 -0.30 0.59 -0.36 -0.17 0.00 0.00 175.17 174.95 2tir s PHE 27 N 1.69 3.12 0.39 -5.34 0.40 0.07 -1.05 117.98 117.26 2tir s PHE 27 Ca 0.05 0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.47 2tir s PHE 27 Cb -0.18 -3.15 -0.03 0.00 0.51 0.00 0.00 43.02 40.17 2tir s PHE 27 CO 0.10 -0.72 0.12 1.67 0.70 0.00 0.00 175.22 177.09 2tir s TRP 28 N 2.61 1.80 0.21 0.36 1.48 -0.41 -2.13 118.94 122.87 2tir s TRP 28 Ca 0.21 -1.23 -0.08 0.00 -1.06 0.00 0.00 56.10 53.94 2tir s TRP 28 Cb -0.15 -1.17 -0.02 0.00 -1.16 0.00 0.00 33.47 30.97 2tir s TRP 28 CO 0.16 -0.25 0.32 0.00 -4.06 0.00 0.00 176.95 173.12 2tir s ALA 29 N -3.24 0.26 0.89 2.67 0.00 -1.26 -0.52 121.76 120.56 2tir s ALA 29 Ca 0.26 -1.14 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 2tir s ALA 29 Cb 0.04 1.11 0.12 0.00 0.00 0.00 0.00 23.12 24.40 2tir s ALA 29 CO 0.14 -0.72 1.10 -1.21 0.00 0.00 0.00 175.76 175.07 2tir s GLU 30 N -4.05 1.31 -1.46 0.00 2.02 -1.26 -3.93 118.70 111.34 2tir s GLU 30 Ca 0.26 0.69 -0.13 0.00 0.02 0.00 0.00 54.97 55.82 2tir s GLU 30 Cb 0.03 -1.83 0.10 0.00 0.10 0.00 0.00 34.13 32.53 2tir s GLU 30 CO 0.08 -2.17 0.69 0.91 0.02 0.00 0.00 175.26 174.79 2tir n TRP 31 N -3.81 -1.92 -3.86 1.61 8.01 -1.26 -4.95 117.44 111.26 2tir n TRP 31 Ca 0.07 0.66 -0.35 0.00 -1.31 0.00 0.00 57.50 56.57 2tir n TRP 31 Cb 0.56 -3.26 -0.13 0.00 -2.01 0.00 0.00 31.31 26.47 2tir n TRP 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2tir h GLY 33 N 7.94 0.14 2.00 0.00 0.00 -1.94 -1.44 103.07 109.78 2tir h GLY 33 Ca -0.13 0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 2tir h GLY 33 CO 0.62 -0.15 -0.23 -2.55 0.00 0.00 0.00 176.54 174.23 2tir h PRO 34 N -0.07 0.00 -0.36 4.80 0.11 -1.95 -1.57 132.00 132.97 2tir h PRO 34 Ca 0.15 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.13 2tir h PRO 34 Cb 0.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2tir h PRO 34 CO -0.35 0.23 -0.32 0.00 -0.21 0.00 0.00 178.00 177.36 2tir h GLU 36 N 0.67 0.64 -0.44 0.00 5.08 -0.36 -2.93 114.58 117.23 2tir h GLU 36 Ca 0.07 -0.36 0.05 0.00 -1.00 0.00 0.00 59.36 58.12 2tir h GLU 36 Cb 0.86 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 2tir h GLU 36 CO 0.08 0.97 0.16 0.52 -1.00 0.00 0.00 179.01 179.74 2tir h MET 37 N 0.51 0.33 -0.00 2.33 2.86 -1.20 -2.47 114.93 117.29 2tir h MET 37 Ca 0.03 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2tir h MET 37 Cb 1.00 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.59 2tir h MET 37 CO 0.09 0.22 -0.13 0.44 1.06 0.00 0.00 176.91 178.59 2tir n ILE 38 N -5.00 0.00 -0.08 -1.22 -5.35 -1.12 -4.33 119.36 102.27 2tir n ILE 38 Ca 0.03 -0.07 -0.11 0.00 -0.27 0.00 0.00 62.75 62.34 2tir n ILE 38 Cb 0.16 -0.03 -0.04 0.00 -1.74 0.00 0.00 39.64 38.00 2tir n ILE 38 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2tir h ALA 39 N 3.61 0.33 -0.10 -1.28 0.00 -1.24 -1.37 119.26 119.21 2tir h ALA 39 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2tir h ALA 39 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2tir h ALA 39 CO 0.00 -0.03 -0.24 -1.00 0.00 0.00 0.00 179.25 177.98 2tir h PRO 40 N 0.23 0.17 -0.62 0.00 0.13 -1.76 -2.83 132.00 127.31 2tir h PRO 40 Ca 0.08 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.18 2tir h PRO 40 Cb 0.26 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.33 2tir h PRO 40 CO -0.00 0.41 0.40 0.82 -0.23 0.00 0.00 178.00 179.39 2tir h ILE 41 N 0.15 1.12 0.00 -3.56 2.04 -1.69 -0.33 117.51 115.24 2tir h ILE 41 Ca 0.03 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 2tir h ILE 41 Cb 0.51 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2tir h ILE 41 CO 0.04 0.15 -0.41 -0.07 0.00 0.00 0.00 178.15 177.85 2tir h LEU 42 N 0.80 0.00 -0.71 1.44 3.38 -1.09 -1.82 115.31 117.32 2tir h LEU 42 Ca 0.24 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.08 2tir h LEU 42 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2tir h LEU 42 CO -0.07 0.41 -0.39 0.44 0.09 0.00 0.00 178.44 178.92 2tir h ASP 43 N 0.00 0.58 0.47 -0.43 3.32 -0.86 -1.84 116.42 117.66 2tir h ASP 43 Ca -0.00 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 2tir h ASP 43 Cb 0.82 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2tir h ASP 43 CO 0.05 0.91 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.92 2tir h GLU 44 N 0.46 -0.61 -0.90 3.56 5.08 -1.04 -3.14 114.58 117.99 2tir h GLU 44 Ca 0.04 0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.64 2tir h GLU 44 Cb 0.87 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 30.15 2tir h GLU 44 CO 0.07 -0.33 0.43 0.82 -1.00 0.00 0.00 179.01 179.01 2tir h ILE 45 N -0.80 0.57 -0.90 3.13 1.08 -1.34 0.11 117.51 119.35 2tir h ILE 45 Ca -0.06 -0.17 0.07 0.00 -0.39 0.00 0.00 64.86 64.30 2tir h ILE 45 Cb 0.56 0.02 -0.06 0.00 -3.07 0.00 0.00 36.82 34.28 2tir h ILE 45 CO 0.11 0.09 0.58 0.00 -0.69 0.00 0.00 178.15 178.24 2tir h ALA 46 N 1.66 1.54 0.01 1.87 0.00 -1.31 -0.07 119.26 122.96 2tir h ALA 46 Ca 0.54 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 2tir h ALA 46 Cb 0.95 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2tir h ALA 46 CO -0.47 0.32 -0.13 -0.44 0.00 0.00 0.00 179.25 178.54 2tir h ASP 47 N 1.00 0.09 0.15 0.00 3.32 -0.79 -3.20 116.42 116.98 2tir h ASP 47 Ca 0.39 -0.86 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 2tir h ASP 47 Cb 0.23 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2tir h ASP 47 CO -0.15 0.95 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.85 2tir h GLU 48 N -0.75 0.00 -0.50 3.56 5.08 -1.06 -2.94 114.58 117.98 2tir h GLU 48 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2tir h GLU 48 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2tir h GLU 48 CO 0.02 0.14 0.00 0.66 -1.00 0.00 0.00 179.01 178.83 2tir n TYR 49 N -4.34 1.23 -1.72 4.33 4.02 -0.05 -4.99 117.16 115.64 2tir n TYR 49 Ca -0.03 -0.66 -0.43 0.00 -0.01 0.00 0.00 57.90 56.77 2tir n TYR 49 Cb 0.21 -0.25 -0.02 0.00 -0.02 0.00 0.00 39.34 39.26 2tir n TYR 49 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2tir n GLN 50 N 0.59 2.45 0.00 -0.72 7.27 -1.11 -0.91 117.38 124.95 2tir n GLN 50 Ca 0.22 0.87 0.00 0.00 0.07 0.00 0.00 57.00 58.17 2tir n GLN 50 Cb 0.84 -2.60 0.00 0.00 2.41 0.00 0.00 30.24 30.89 2tir n GLN 50 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2tir n GLY 51 N 2.06 3.06 0.04 1.69 0.00 -1.26 -4.76 105.19 106.03 2tir n GLY 51 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 2tir n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2tir n LYS 52 N -0.69 1.29 -3.73 1.61 5.02 -0.09 -5.07 118.16 116.51 2tir n LYS 52 Ca 0.00 -0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.10 2tir n LYS 52 Cb 0.00 -1.33 -0.09 0.00 -0.02 0.00 0.00 35.03 33.58 2tir n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2tir s LEU 53 N -4.56 0.49 -0.04 -0.35 2.96 -0.49 -4.31 118.68 112.37 2tir s LEU 53 Ca -0.06 0.62 0.03 0.00 -0.22 0.00 0.00 54.13 54.49 2tir s LEU 53 Cb 0.06 1.43 -0.03 0.00 0.50 0.00 0.00 46.19 48.15 2tir s LEU 53 CO 0.55 -0.25 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.34 2tir s THR 54 N -0.29 3.41 -0.05 3.68 2.01 -0.41 -4.46 115.64 119.54 2tir s THR 54 Ca -0.04 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.33 2tir s THR 54 Cb -0.03 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 2tir s THR 54 CO 0.02 0.55 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.69 2tir s VAL 55 N -0.82 3.28 -0.00 3.82 1.01 -1.26 -0.86 120.40 125.57 2tir s VAL 55 Ca 0.13 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 2tir s VAL 55 Cb -0.11 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 2tir s VAL 55 CO 0.02 0.56 0.04 0.00 0.00 0.00 0.00 175.10 175.73 2tir s ALA 56 N -0.79 -0.09 -0.03 5.51 0.00 -0.43 -0.83 121.76 125.11 2tir s ALA 56 Ca 0.12 -0.20 0.04 0.00 0.00 0.00 0.00 51.96 51.93 2tir s ALA 56 Cb -0.11 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 2tir s ALA 56 CO 0.02 -0.12 -0.16 0.15 0.00 0.00 0.00 175.76 175.65 2tir s LYS 57 N -0.87 1.51 -0.12 0.00 1.02 0.89 -1.25 119.74 120.91 2tir s LYS 57 Ca -0.10 -0.55 -0.02 0.00 0.02 0.00 0.00 55.97 55.33 2tir s LYS 57 Cb -0.06 -1.36 0.04 0.00 -0.52 0.00 0.00 37.83 35.93 2tir s LYS 57 CO 0.00 0.26 -0.00 -1.17 -0.92 0.00 0.00 175.35 173.51 2tir s LEU 58 N -0.07 0.93 -0.52 3.17 0.20 -0.22 -0.51 118.68 121.66 2tir s LEU 58 Ca -0.01 -0.38 -0.26 0.00 0.69 0.00 0.00 54.13 54.18 2tir s LEU 58 Cb -0.09 -0.58 0.03 0.00 -0.43 0.00 0.00 46.19 45.12 2tir s LEU 58 CO 0.01 -0.22 1.02 0.21 -0.29 0.00 0.00 176.35 177.09 2tir s ASN 59 N 1.87 6.46 0.54 3.68 3.04 -1.26 -1.29 114.94 127.99 2tir s ASN 59 Ca 0.03 0.03 0.33 0.00 0.04 0.00 0.00 52.86 53.29 2tir s ASN 59 Cb -0.14 -2.48 1.34 0.00 -1.54 0.00 0.00 41.25 38.42 2tir s ASN 59 CO -0.07 -1.23 1.97 0.16 -3.04 0.00 0.00 177.10 174.90 2tir h ILE 60 N 6.11 0.03 0.00 -5.21 3.07 -1.03 -1.71 117.51 118.77 2tir h ILE 60 Ca -0.25 -0.55 0.00 0.00 1.55 0.00 0.00 64.86 65.61 2tir h ILE 60 Cb 1.07 1.53 0.00 0.00 -0.27 0.00 0.00 36.82 39.15 2tir h ILE 60 CO 1.10 0.01 0.00 0.44 -1.05 0.00 0.00 178.15 178.65 2tir h ASP 61 N 0.00 0.00 0.00 2.16 3.32 -1.93 -2.79 116.42 117.18 2tir h ASP 61 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2tir h ASP 61 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2tir h ASP 61 CO 0.00 0.00 -1.19 0.00 -1.72 0.00 0.00 179.24 176.33 2tir n GLN 62 N -3.05 0.91 -3.43 3.56 6.02 -0.95 -4.75 117.38 115.69 2tir n GLN 62 Ca 0.02 -0.06 -0.27 0.00 -0.01 0.00 0.00 57.00 56.68 2tir n GLN 62 Cb 0.38 -1.38 -0.10 0.00 1.02 0.00 0.00 30.24 30.16 2tir n GLN 62 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2tir s ASN 63 N -3.18 1.74 0.24 1.08 0.01 -0.68 -4.95 114.94 109.20 2tir s ASN 63 Ca 0.02 -3.08 0.25 0.00 -0.71 0.00 0.00 52.86 49.35 2tir s ASN 63 Cb 0.13 -0.52 0.67 0.00 0.41 0.00 0.00 41.25 41.94 2tir s ASN 63 CO 0.74 -0.17 1.69 1.55 -1.51 0.00 0.00 177.10 179.41 2tir h PRO 64 N 5.69 0.00 0.00 -0.60 0.14 -1.84 -3.37 132.00 132.02 2tir h PRO 64 Ca 0.25 0.00 -0.13 0.00 0.14 0.00 0.00 66.00 66.26 2tir h PRO 64 Cb 0.90 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.02 2tir h PRO 64 CO 0.39 0.00 -0.75 0.78 0.14 0.00 0.00 178.00 178.56 2tir h GLY 65 N 4.42 0.00 1.00 1.56 0.00 -1.94 -3.42 103.07 104.69 2tir h GLY 65 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 2tir h GLY 65 CO 0.00 0.00 -1.70 -0.91 0.00 0.00 0.00 176.54 173.93 2tir h THR 66 N 0.00 0.97 -0.87 4.70 1.35 -1.95 -3.38 112.91 113.73 2tir h THR 66 Ca -0.04 -2.60 0.05 0.00 -0.55 0.00 0.00 66.41 63.27 2tir h THR 66 Cb 1.48 2.72 -0.06 0.00 -1.73 0.00 0.00 68.15 70.56 2tir h THR 66 CO 0.07 0.83 0.55 0.00 -0.25 0.00 0.00 175.52 176.73 2tir h ALA 67 N 0.28 1.17 -0.45 6.62 0.00 -1.84 -1.42 119.26 123.62 2tir h ALA 67 Ca -0.32 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.67 2tir h ALA 67 Cb 2.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 2tir h ALA 67 CO 0.16 0.36 0.31 -1.00 0.00 0.00 0.00 179.25 179.08 2tir h PRO 68 N 1.05 0.19 0.00 0.00 0.13 -1.80 -0.97 132.00 130.59 2tir h PRO 68 Ca 0.36 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.46 2tir h PRO 68 Cb 0.08 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.16 2tir h PRO 68 CO -0.14 0.12 -0.12 0.87 -0.23 0.00 0.00 178.00 178.50 2tir h LYS 69 N 0.19 0.00 -0.27 0.86 1.57 -1.44 -2.18 116.57 115.30 2tir h LYS 69 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2tir h LYS 69 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2tir h LYS 69 CO -0.04 0.12 0.00 0.66 -0.57 0.00 0.00 179.45 179.63 2tir n TYR 70 N -3.56 0.34 -2.28 -1.35 4.01 -0.41 -4.98 117.16 108.93 2tir n TYR 70 Ca -0.01 -0.22 -0.12 0.00 -0.16 0.00 0.00 57.90 57.39 2tir n TYR 70 Cb 0.26 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.28 2tir n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2tir n GLY 71 N 1.13 -0.09 3.74 2.72 0.00 -0.82 -4.96 105.19 106.92 2tir n GLY 71 Ca 0.15 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2tir n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2tir s ILE 72 N -2.61 2.64 0.00 -0.61 -1.09 -1.08 -4.95 121.20 113.50 2tir s ILE 72 Ca 0.02 0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.98 2tir s ILE 72 Cb -0.01 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 2tir s ILE 72 CO 0.03 0.08 0.00 0.54 -1.23 0.00 0.00 174.94 174.36 2tir n ARG 73 N 2.42 0.00 -1.96 2.79 1.74 -1.26 -4.86 116.66 115.53 2tir n ARG 73 Ca 0.07 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.76 2tir n ARG 73 Cb 0.40 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.85 2tir n ARG 73 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2tir s GLY 74 N -1.70 2.89 -0.08 -0.13 0.00 -1.26 -5.05 107.32 101.99 2tir s GLY 74 Ca 0.00 1.25 0.04 0.00 0.00 0.00 0.00 44.72 46.02 2tir s GLY 74 CO 0.00 1.80 -0.22 -0.42 0.00 0.00 0.00 173.10 174.26 2tir s ILE 75 N -1.31 1.90 0.62 0.90 -1.09 -1.26 -4.00 121.20 116.96 2tir s ILE 75 Ca 0.63 -0.95 -0.10 0.00 -2.23 0.00 0.00 60.65 58.01 2tir s ILE 75 Cb -0.38 -1.63 -0.02 0.00 -1.58 0.00 0.00 42.46 38.85 2tir s ILE 75 CO 0.47 0.53 1.01 -2.16 -1.23 0.00 0.00 174.94 173.56 2tir s PRO 76 N 0.19 3.31 -0.02 2.79 0.04 -1.26 -4.83 135.00 135.21 2tir s PRO 76 Ca -0.12 0.52 0.01 0.00 0.04 0.00 0.00 61.00 61.45 2tir s PRO 76 Cb -0.16 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.28 2tir s PRO 76 CO 0.06 -0.67 -0.03 0.99 0.04 0.00 0.00 177.00 177.39 2tir s THR 77 N -3.16 0.34 -0.18 1.26 2.01 -0.90 -0.90 115.64 114.10 2tir s THR 77 Ca 0.55 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.44 2tir s THR 77 Cb -0.11 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 2tir s THR 77 CO 0.51 0.15 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.79 2tir s LEU 78 N 0.58 3.09 -0.13 4.42 1.43 0.13 -0.75 118.68 127.45 2tir s LEU 78 Ca -0.06 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 2tir s LEU 78 Cb -0.10 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.36 2tir s LEU 78 CO -0.01 0.09 -0.18 -0.76 0.23 0.00 0.00 176.35 175.73 2tir s LEU 79 N 0.83 2.40 -0.26 1.79 1.43 0.02 -1.31 118.68 123.57 2tir s LEU 79 Ca -0.01 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 2tir s LEU 79 Cb -0.15 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2tir s LEU 79 CO 0.02 0.13 0.39 -0.22 0.23 0.00 0.00 176.35 176.89 2tir s LEU 80 N 0.53 4.05 -0.11 1.79 2.96 0.06 -0.24 118.68 127.72 2tir s LEU 80 Ca -0.11 0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 54.07 2tir s LEU 80 Cb -0.16 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 2tir s LEU 80 CO 0.04 -0.18 0.10 -0.36 -1.32 0.00 0.00 176.35 174.63 2tir s PHE 81 N 2.03 3.47 -0.04 5.38 0.40 0.21 -0.06 117.98 129.36 2tir s PHE 81 Ca 0.16 0.43 -0.02 0.00 -0.60 0.00 0.00 56.93 56.90 2tir s PHE 81 Cb -0.16 -1.90 0.03 0.00 0.51 0.00 0.00 43.02 41.51 2tir s PHE 81 CO 0.10 0.65 0.08 0.15 0.70 0.00 0.00 175.22 176.90 2tir s LYS 82 N -0.95 -0.02 -1.46 0.44 1.02 -0.41 -1.76 119.74 116.60 2tir s LYS 82 Ca 0.14 0.34 -0.10 0.00 0.02 0.00 0.00 55.97 56.37 2tir s LYS 82 Cb -0.12 -0.31 0.05 0.00 -0.52 0.00 0.00 37.83 36.93 2tir s LYS 82 CO 0.03 -0.24 0.90 0.09 -0.92 0.00 0.00 175.35 175.22 2tir n ASN 83 N 4.68 -5.40 0.00 2.83 4.13 -1.26 -1.30 115.26 118.94 2tir n ASN 83 Ca -0.17 -0.56 0.00 0.00 1.68 0.00 0.00 54.58 55.53 2tir n ASN 83 Cb 0.50 -4.31 0.00 0.00 -1.54 0.00 0.00 39.78 34.43 2tir n ASN 83 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2tir n GLY 84 N -1.68 0.90 3.43 7.41 0.00 -1.24 -5.03 105.19 108.98 2tir n GLY 84 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2tir n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2tir s GLU 85 N -0.12 1.55 -0.41 1.61 0.41 -0.42 -4.91 118.70 116.41 2tir s GLU 85 Ca 0.00 -1.53 -0.29 0.00 -0.41 0.00 0.00 54.97 52.74 2tir s GLU 85 Cb 0.00 -1.85 0.01 0.00 -1.78 0.00 0.00 34.13 30.51 2tir s GLU 85 CO 0.00 0.40 1.37 0.08 -0.49 0.00 0.00 175.26 176.62 2tir s VAL 86 N -1.73 3.96 -0.00 2.63 1.01 -1.26 -1.29 120.40 123.71 2tir s VAL 86 Ca 0.22 0.99 -0.17 0.00 0.00 0.00 0.00 61.98 63.01 2tir s VAL 86 Cb -0.08 -4.25 -0.34 0.00 0.00 0.00 0.00 36.38 31.71 2tir s VAL 86 CO 0.10 -0.77 0.93 0.00 0.00 0.00 0.00 175.10 175.36 2tir h ALA 87 N 10.41 -0.11 -2.56 5.51 0.00 -0.80 -3.48 119.26 128.24 2tir h ALA 87 Ca -0.27 -0.85 -0.06 0.00 0.00 0.00 0.00 54.91 53.74 2tir h ALA 87 Cb 1.10 0.19 -0.16 0.00 0.00 0.00 0.00 17.79 18.92 2tir h ALA 87 CO 1.09 0.63 0.03 0.00 0.00 0.00 0.00 179.25 181.00 2tir s ALA 88 N -2.55 -1.29 -0.02 0.00 0.00 -1.08 -4.99 121.76 111.84 2tir s ALA 88 Ca -0.11 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.39 2tir s ALA 88 Cb 0.03 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.59 2tir s ALA 88 CO 0.90 -0.53 -0.10 0.99 0.00 0.00 0.00 175.76 177.02 2tir s THR 89 N -2.65 0.87 -0.05 0.00 2.01 -1.26 -0.76 115.64 113.80 2tir s THR 89 Ca -0.04 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.55 2tir s THR 89 Cb -0.00 -0.76 0.02 0.00 0.01 0.00 0.00 72.50 71.77 2tir s THR 89 CO -0.03 0.26 -0.06 -0.75 -0.69 0.00 0.00 174.62 173.35 2tir s LYS 90 N 0.11 0.98 0.04 4.92 2.47 -0.43 -5.02 119.74 122.80 2tir s LYS 90 Ca -0.02 -0.15 0.09 0.00 -1.56 0.00 0.00 55.97 54.33 2tir s LYS 90 Cb -0.08 -0.96 -0.03 0.00 -1.46 0.00 0.00 37.83 35.30 2tir s LYS 90 CO 0.00 -0.08 -0.25 0.14 0.16 0.00 0.00 175.35 175.32 2tir s VAL 91 N 0.96 2.04 0.00 4.02 -7.23 -1.26 -0.69 120.40 118.23 2tir s VAL 91 Ca -0.10 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 2tir s VAL 91 Cb -0.14 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.06 2tir s VAL 91 CO 0.00 0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.77 2tir n GLY 92 N 1.89 1.84 3.81 2.32 0.00 -0.08 -5.01 105.19 109.96 2tir n GLY 92 Ca -0.17 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 2tir n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tir s ALA 93 N -2.19 3.16 0.14 4.61 0.00 -1.26 -4.81 121.76 121.41 2tir s ALA 93 Ca 0.00 0.40 -0.13 0.00 0.00 0.00 0.00 51.96 52.23 2tir s ALA 93 Cb 0.00 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 20.03 2tir s ALA 93 CO 0.00 0.18 0.36 -0.48 0.00 0.00 0.00 175.76 175.82 2tir s LEU 94 N -2.63 0.66 0.87 0.00 2.34 -1.26 -5.13 118.68 113.54 2tir s LEU 94 Ca 0.55 -0.54 -0.12 0.00 0.06 0.00 0.00 54.13 54.08 2tir s LEU 94 Cb -0.13 1.60 0.12 0.00 -0.56 0.00 0.00 46.19 47.21 2tir s LEU 94 CO 0.18 -0.88 1.14 -0.94 -1.06 0.00 0.00 176.35 174.80 2tir s SER 95 N -2.86 3.86 0.36 1.48 1.04 -1.26 -4.85 113.70 111.46 2tir s SER 95 Ca 0.08 0.95 0.03 0.00 0.48 0.00 0.00 55.95 57.49 2tir s SER 95 Cb 0.02 -1.52 0.68 0.00 0.10 0.00 0.00 66.02 65.30 2tir s SER 95 CO -0.07 -2.33 2.01 0.50 0.98 0.00 0.00 173.24 174.32 2tir h LYS 96 N -1.35 0.78 -0.30 4.02 3.64 -1.99 -1.29 116.57 120.08 2tir h LYS 96 Ca -0.49 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 58.79 2tir h LYS 96 Cb 1.33 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2tir h LYS 96 CO 0.63 0.52 -0.03 0.78 -2.27 0.00 0.00 179.45 179.07 2tir h GLY 97 N 0.81 0.60 1.36 5.01 0.00 -1.99 -1.25 103.07 107.60 2tir h GLY 97 Ca 0.24 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 2tir h GLY 97 CO -0.06 0.43 -0.05 1.46 0.00 0.00 0.00 176.54 178.32 2tir h GLN 98 N 0.33 0.78 -0.14 4.80 4.20 -1.84 -1.05 115.11 122.18 2tir h GLN 98 Ca 0.08 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 2tir h GLN 98 Cb 0.49 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 2tir h GLN 98 CO 0.02 0.82 -0.18 1.25 -0.67 0.00 0.00 178.83 180.07 2tir h LEU 99 N 0.72 0.41 -0.37 1.46 5.85 -1.13 -1.29 115.31 120.96 2tir h LEU 99 Ca 0.13 -0.50 0.05 0.00 0.84 0.00 0.00 57.88 58.40 2tir h LEU 99 Cb 0.51 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2tir h LEU 99 CO 0.03 0.83 0.08 0.11 -0.34 0.00 0.00 178.44 179.15 2tir h LYS 100 N -0.00 0.21 -0.58 1.25 1.57 -1.11 0.28 116.57 118.19 2tir h LYS 100 Ca 0.02 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2tir h LYS 100 Cb 0.73 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 2tir h LYS 100 CO 0.04 0.14 0.35 0.93 -0.57 0.00 0.00 179.45 180.34 2tir h GLU 101 N 0.21 0.67 -0.55 3.15 5.08 -1.15 0.63 114.58 122.63 2tir h GLU 101 Ca 0.17 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 2tir h GLU 101 Cb 0.19 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 2tir h GLU 101 CO -0.22 0.44 0.28 0.35 -1.00 0.00 0.00 179.01 178.87 2tir h PHE 102 N 0.69 0.51 -0.31 4.33 3.57 -0.60 -1.07 116.94 124.06 2tir h PHE 102 Ca 0.23 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.63 2tir h PHE 102 Cb 0.02 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2tir h PHE 102 CO -0.06 0.25 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.91 2tir h LEU 103 N 0.54 0.79 -0.85 0.59 3.38 -0.68 -2.47 115.31 116.62 2tir h LEU 103 Ca 0.24 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 2tir h LEU 103 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2tir h LEU 103 CO -0.17 1.09 0.02 0.44 0.09 0.00 0.00 178.44 179.91 2tir h ASP 104 N 0.51 0.84 -0.05 -0.43 3.32 -0.70 0.30 116.42 120.21 2tir h ASP 104 Ca 0.05 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.83 2tir h ASP 104 Cb 0.86 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2tir h ASP 104 CO 0.07 0.90 -0.13 0.00 -1.72 0.00 0.00 179.24 178.36 2tir h ALA 105 N 1.20 1.37 -0.00 3.45 0.00 -1.21 -3.34 119.26 120.73 2tir h ALA 105 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2tir h ALA 105 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2tir h ALA 105 CO 0.02 0.43 -0.52 0.09 0.00 0.00 0.00 179.25 179.27 2tir n ASN 106 N -4.23 0.78 0.01 0.00 3.02 -0.58 -3.82 115.26 110.44 2tir n ASN 106 Ca -0.00 -0.89 0.13 0.00 -0.03 0.00 0.00 54.58 53.79 2tir n ASN 106 Cb 0.30 0.88 0.47 0.00 -0.61 0.00 0.00 39.78 40.82 2tir n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2tir n LEU 107 N -1.05 0.22 0.00 3.41 4.77 0.94 -5.03 117.00 120.27 2tir n LEU 107 Ca 0.03 0.32 0.03 0.00 -0.03 0.00 0.00 56.01 56.36 2tir n LEU 107 Cb 0.21 -0.40 0.17 0.00 -2.33 0.00 0.00 43.42 41.08 2tir n LEU 107 CO 0.24 0.03 0.41 0.00 -1.33 0.00 0.00 177.39 176.74