#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1trv s VAL 2 N 0.00 0.03 -0.17 3.17 1.01 -1.26 -4.12 120.40 119.06 1trv s VAL 2 Ca 0.00 -2.00 -0.06 0.00 0.00 0.00 0.00 61.98 59.92 1trv s VAL 2 Cb 0.00 -2.50 0.08 0.00 0.00 0.00 0.00 36.38 33.96 1trv s VAL 2 CO 0.00 0.00 0.36 -0.75 0.00 0.00 0.00 175.10 174.71 1trv s LYS 3 N -3.78 0.26 -0.07 2.72 2.20 -1.19 -5.02 119.74 114.86 1trv s LYS 3 Ca 0.39 0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 56.60 1trv s LYS 3 Cb 0.05 0.15 -0.02 0.00 -1.51 0.00 0.00 37.83 36.50 1trv s LYS 3 CO 0.20 -0.25 1.03 -1.14 -0.36 0.00 0.00 175.35 174.83 1trv s GLN 4 N 2.37 4.44 -0.19 4.03 0.74 -1.26 -1.71 119.66 128.08 1trv s GLN 4 Ca -0.02 1.44 -0.18 0.00 0.05 0.00 0.00 55.36 56.65 1trv s GLN 4 Cb -0.12 -3.52 -0.03 0.00 1.10 0.00 0.00 33.01 30.44 1trv s GLN 4 CO -0.11 -0.28 0.51 0.42 -0.55 0.00 0.00 175.29 175.28 1trv s ILE 5 N 1.81 5.12 -0.08 -2.34 -1.09 -0.77 -4.94 121.20 118.90 1trv s ILE 5 Ca 0.50 0.94 0.13 0.00 -2.23 0.00 0.00 60.65 60.00 1trv s ILE 5 Cb -0.20 -3.83 -0.24 0.00 -1.58 0.00 0.00 42.46 36.61 1trv s ILE 5 CO 0.21 0.19 0.52 -0.62 -1.23 0.00 0.00 174.94 174.01 1trv n GLU 6 N 4.68 0.65 -0.10 2.79 1.02 -1.26 -4.48 120.64 123.94 1trv n GLU 6 Ca -0.05 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1trv n GLU 6 Cb 0.51 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1trv n SER 7 N -2.99 0.00 0.09 1.62 3.41 -1.26 -4.17 113.62 110.33 1trv n SER 7 Ca -0.21 -0.10 -0.01 0.00 -0.26 0.00 0.00 58.87 58.30 1trv n SER 7 Cb 1.08 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.99 1trv n SER 7 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1trv h LYS 8 N 0.00 0.00 0.01 4.33 3.64 -1.93 -3.09 116.57 119.52 1trv h LYS 8 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1trv h LYS 8 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1trv h LYS 8 CO 0.00 0.58 -0.05 1.15 -2.27 0.00 0.00 179.45 178.86 1trv h THR 9 N 0.00 0.87 0.00 1.00 2.02 -2.00 -1.55 112.91 113.25 1trv h THR 9 Ca -0.05 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 1trv h THR 9 Cb 1.54 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1trv h THR 9 CO 0.08 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 175.51 1trv h ALA 10 N 0.90 1.24 0.29 6.16 0.00 -1.98 -2.75 119.26 123.12 1trv h ALA 10 Ca 0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1trv h ALA 10 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1trv h ALA 10 CO -0.05 0.57 -0.14 0.35 0.00 0.00 0.00 179.25 179.98 1trv h PHE 11 N 0.00 -0.36 -0.22 0.00 3.57 -1.27 0.16 116.94 118.82 1trv h PHE 11 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1trv h PHE 11 Cb 0.81 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1trv h PHE 11 CO 0.00 -0.21 0.12 1.96 -2.23 0.00 0.00 178.31 177.95 1trv h GLN 12 N -0.40 0.31 0.00 1.11 4.20 -1.26 -1.37 115.11 117.70 1trv h GLN 12 Ca -0.04 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1trv h GLN 12 Cb 0.30 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1trv h GLN 12 CO 0.06 0.28 -0.01 0.93 -0.67 0.00 0.00 178.83 179.43 1trv h GLU 13 N 0.25 0.00 -0.05 1.46 4.39 -1.33 -1.71 114.58 117.60 1trv h GLU 13 Ca 0.08 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1trv h GLU 13 Cb 0.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1trv h GLU 13 CO -0.01 0.01 -0.02 0.00 -1.16 0.00 0.00 179.01 177.82 1trv h ALA 14 N 1.99 0.06 0.00 3.43 0.00 0.44 -2.40 119.26 122.79 1trv h ALA 14 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1trv h ALA 14 Cb 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1trv h ALA 14 CO 0.00 -0.20 -0.07 -0.07 0.00 0.00 0.00 179.25 178.90 1trv h LEU 15 N -0.29 0.00 -0.26 0.00 3.38 -0.94 -2.31 115.31 114.89 1trv h LEU 15 Ca 0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1trv h LEU 15 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1trv h LEU 15 CO 0.01 0.07 -0.39 -0.78 0.09 0.00 0.00 178.44 177.44 1trv h ASP 16 N 0.00 0.79 1.04 -0.43 1.82 -0.99 -2.89 116.42 115.75 1trv h ASP 16 Ca -0.00 -0.51 -0.04 0.00 -0.39 0.00 0.00 57.03 56.09 1trv h ASP 16 Cb 0.33 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 1trv h ASP 16 CO 0.01 1.15 -0.17 0.00 -1.61 0.00 0.00 179.24 178.62 1trv h ALA 17 N 0.66 1.00 -0.61 -0.78 0.00 -0.94 -3.01 119.26 115.58 1trv h ALA 17 Ca 0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1trv h ALA 17 Cb 0.98 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1trv h ALA 17 CO 0.09 0.21 0.11 0.00 0.00 0.00 0.00 179.25 179.66 1trv h ALA 18 N 1.83 0.81 0.00 0.00 0.00 -1.23 -3.47 119.26 117.20 1trv h ALA 18 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1trv h ALA 18 Cb 0.73 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1trv h ALA 18 CO 0.02 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1trv n GLY 19 N -0.58 2.00 0.00 0.00 0.00 -1.14 -3.19 105.19 102.28 1trv n GLY 19 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1trv n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1trv n ASP 20 N 5.64 0.00 -4.81 1.61 2.03 -1.26 -4.50 116.55 115.26 1trv n ASP 20 Ca 0.00 -1.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.01 1trv n ASP 20 Cb 0.00 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.48 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1trv s LYS 21 N 0.00 2.33 0.83 -0.67 1.02 -1.19 -4.64 119.74 117.42 1trv s LYS 21 Ca 0.00 0.72 -0.12 0.00 0.02 0.00 0.00 55.97 56.60 1trv s LYS 21 Cb 0.00 -1.94 0.10 0.00 -0.52 0.00 0.00 37.83 35.47 1trv s LYS 21 CO 0.00 -1.47 1.16 -1.17 -0.92 0.00 0.00 175.35 172.95 1trv s LEU 22 N -5.71 3.03 -0.30 3.17 0.20 -1.26 -4.51 118.68 113.30 1trv s LEU 22 Ca 0.60 2.19 0.01 0.00 0.69 0.00 0.00 54.13 57.62 1trv s LEU 22 Cb -0.14 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.19 1trv s LEU 22 CO 0.54 -2.67 0.34 -0.69 -0.29 0.00 0.00 176.35 173.58 1trv s VAL 23 N -2.47 -0.46 0.56 1.68 1.01 -0.43 -2.95 120.40 117.33 1trv s VAL 23 Ca 0.68 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 1trv s VAL 23 Cb -0.24 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1trv s VAL 23 CO 0.53 -0.43 0.82 -0.69 0.00 0.00 0.00 175.10 175.33 1trv s VAL 24 N 2.33 3.29 0.01 2.92 1.01 -0.58 -0.55 120.40 128.82 1trv s VAL 24 Ca 0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1trv s VAL 24 Cb -0.14 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1trv s VAL 24 CO -0.30 -0.23 0.01 -0.69 0.00 0.00 0.00 175.10 173.89 1trv s VAL 25 N -2.84 0.07 -0.25 2.92 1.01 -0.66 -2.44 120.40 118.21 1trv s VAL 25 Ca 0.54 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1trv s VAL 25 Cb -0.10 -0.22 0.06 0.00 0.00 0.00 0.00 36.38 36.12 1trv s VAL 25 CO 0.41 -0.33 -0.12 -0.62 0.00 0.00 0.00 175.10 174.45 1trv s ASP 26 N -0.98 4.32 -0.53 3.32 2.15 -1.05 -2.87 116.67 121.04 1trv s ASP 26 Ca -0.11 -1.32 -0.16 0.00 0.43 0.00 0.00 52.55 51.40 1trv s ASP 26 Cb -0.07 -1.55 0.12 0.00 -0.30 0.00 0.00 42.92 41.13 1trv s ASP 26 CO -0.00 -0.17 0.48 -0.36 -0.17 0.00 0.00 175.17 174.94 1trv s PHE 27 N 1.12 3.26 0.05 -5.34 0.40 -0.44 -1.32 117.98 115.71 1trv s PHE 27 Ca -0.07 -1.26 0.00 0.00 -0.60 0.00 0.00 56.93 54.99 1trv s PHE 27 Cb -0.19 -3.68 0.00 0.00 0.51 0.00 0.00 43.02 39.66 1trv s PHE 27 CO -0.06 -0.98 0.02 -1.13 0.70 0.00 0.00 175.22 173.77 1trv n SER 28 N 5.22 1.51 -3.65 1.36 3.41 -1.15 -1.90 113.62 118.43 1trv n SER 28 Ca -0.13 -1.18 -0.28 0.00 -0.26 0.00 0.00 58.87 57.02 1trv n SER 28 Cb 0.41 0.01 -0.16 0.00 -0.26 0.00 0.00 64.21 64.21 1trv n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1trv s ALA 29 N -2.07 0.87 0.06 7.33 0.00 -1.03 -3.05 121.76 123.87 1trv s ALA 29 Ca 0.02 -0.94 -0.26 0.00 0.00 0.00 0.00 51.96 50.77 1trv s ALA 29 Cb -0.00 -1.31 -0.17 0.00 0.00 0.00 0.00 23.12 21.64 1trv s ALA 29 CO 0.01 -1.43 1.58 0.00 0.00 0.00 0.00 175.76 175.92 1trv h THR 30 N 6.46 0.81 -0.56 0.00 1.03 -1.96 -1.70 112.91 116.99 1trv h THR 30 Ca -0.17 -0.21 0.16 0.00 -0.01 0.00 0.00 66.41 66.19 1trv h THR 30 Cb 1.07 0.93 -0.02 0.00 -1.07 0.00 0.00 68.15 69.06 1trv h THR 30 CO 0.39 0.05 0.67 4.11 -0.01 0.00 0.00 175.52 180.72 1trv h TRP 31 N -0.42 0.00 -3.50 0.00 5.08 -1.96 -3.39 115.95 111.76 1trv h TRP 31 Ca -0.03 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.44 1trv h TRP 31 Cb 0.32 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.48 1trv h TRP 31 CO -0.03 0.00 0.03 0.00 -1.28 0.00 0.00 178.44 177.16 1trv n GLY 33 N -1.39 -0.60 0.20 0.00 0.00 -1.26 -4.35 105.19 97.80 1trv n GLY 33 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 1trv n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1trv h PRO 34 N -0.25 0.30 -1.44 1.61 0.11 -1.96 -0.53 132.00 129.83 1trv h PRO 34 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1trv h PRO 34 Cb 0.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1trv h PRO 34 CO 0.00 0.20 0.00 0.00 -0.21 0.00 0.00 178.00 177.99 1trv n LYS 36 N 0.83 0.00 0.00 0.00 4.81 -0.23 -2.46 118.16 121.10 1trv n LYS 36 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1trv n LYS 36 Cb 0.33 -0.48 0.51 0.00 0.02 0.00 0.00 35.03 35.41 1trv n LYS 36 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1trv n MET 37 N -0.58 0.50 -0.12 1.64 1.56 -1.05 -2.08 117.12 116.99 1trv n MET 37 Ca 0.00 0.02 0.12 0.00 -0.27 0.00 0.00 57.70 57.57 1trv n MET 37 Cb 0.00 -1.50 0.19 0.00 2.15 0.00 0.00 33.22 34.06 1trv n MET 37 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1trv n ILE 38 N -1.05 0.33 0.08 1.12 5.41 -1.26 -4.33 119.36 119.66 1trv n ILE 38 Ca 0.12 -0.65 -0.04 0.00 1.00 0.00 0.00 62.75 63.19 1trv n ILE 38 Cb 0.08 1.12 -0.07 0.00 -0.71 0.00 0.00 39.64 40.05 1trv n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1trv h LYS 39 N 4.46 0.00 0.00 0.38 2.10 -1.77 -3.14 116.57 118.60 1trv h LYS 39 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1trv h LYS 39 Cb 0.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 1trv h LYS 39 CO 0.00 0.82 0.00 -2.30 -2.00 0.00 0.00 179.45 175.97 1trv n PRO 40 N -3.30 0.12 -0.07 0.07 -0.02 -1.26 -0.39 135.00 130.15 1trv n PRO 40 Ca 0.00 0.43 -0.06 0.00 -2.02 0.00 0.00 63.50 61.85 1trv n PRO 40 Cb 0.87 -1.76 -0.03 0.00 -0.02 0.00 0.00 33.50 32.56 1trv n PRO 40 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1trv h PHE 41 N 0.00 0.00 0.18 6.00 -1.00 -1.83 -2.83 116.94 117.46 1trv h PHE 41 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1trv h PHE 41 Cb 0.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.80 1trv h PHE 41 CO 0.00 0.27 -0.09 0.35 -1.61 0.00 0.00 178.31 177.23 1trv h PHE 42 N -1.00 -0.22 0.00 -0.55 3.57 -1.53 -2.22 116.94 114.99 1trv h PHE 42 Ca -0.04 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1trv h PHE 42 Cb 0.46 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1trv h PHE 42 CO -0.06 -0.07 -0.04 1.25 -2.23 0.00 0.00 178.31 177.16 1trv h HIS 43 N -0.32 0.00 -0.13 0.41 2.76 -0.91 -1.19 115.15 115.77 1trv h HIS 43 Ca -0.02 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.04 1trv h HIS 43 Cb 0.25 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 1trv h HIS 43 CO -0.04 0.04 -0.37 1.03 -1.30 0.00 0.00 177.93 177.29 1trv h SER 44 N 0.00 0.28 -0.13 3.26 0.87 -1.14 -2.33 113.55 114.36 1trv h SER 44 Ca -0.00 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.49 1trv h SER 44 Cb 0.11 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1trv h SER 44 CO 0.01 0.63 0.14 -0.07 -0.53 0.00 0.00 176.83 177.01 1trv h LEU 45 N 0.23 0.00 -0.92 2.23 3.38 -0.97 -2.12 115.31 117.15 1trv h LEU 45 Ca 0.03 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.22 1trv h LEU 45 Cb 0.76 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.39 1trv h LEU 45 CO 0.06 0.00 0.44 0.28 0.09 0.00 0.00 178.44 179.31 1trv h SER 46 N 0.00 0.43 0.80 -0.43 0.02 -1.51 0.31 113.55 113.17 1trv h SER 46 Ca 0.06 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1trv h SER 46 Cb 0.34 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1trv h SER 46 CO -0.00 0.04 -0.78 -0.33 -1.14 0.00 0.00 176.83 174.62 1trv h GLU 47 N 0.46 0.00 0.04 3.45 4.39 -1.59 -3.33 114.58 117.99 1trv h GLU 47 Ca 0.57 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 60.01 1trv h GLU 47 Cb 1.07 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.69 1trv h GLU 47 CO -0.50 0.00 -1.39 -0.22 -1.16 0.00 0.00 179.01 175.73 1trv h LYS 48 N 0.00 0.08 -2.55 2.33 3.64 -0.60 -3.40 116.57 116.07 1trv h LYS 48 Ca 0.00 -0.13 -0.60 0.00 -1.27 0.00 0.00 60.65 58.65 1trv h LYS 48 Cb 0.79 0.05 -0.40 0.00 -0.41 0.00 0.00 32.23 32.25 1trv h LYS 48 CO 0.00 0.88 -0.77 0.66 -2.27 0.00 0.00 179.45 177.94 1trv n TYR 49 N -3.29 1.57 0.88 1.91 4.01 0.78 -4.91 117.16 118.12 1trv n TYR 49 Ca -0.10 -3.88 0.07 0.00 -0.16 0.00 0.00 57.90 53.82 1trv n TYR 49 Cb 1.01 -0.31 0.41 0.00 -0.31 0.00 0.00 39.34 40.14 1trv n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1trv n SER 50 N 1.93 0.00 -1.33 7.72 3.41 -1.25 -1.75 113.62 122.35 1trv n SER 50 Ca 0.25 -0.45 0.11 0.00 -0.26 0.00 0.00 58.87 58.52 1trv n SER 50 Cb 0.43 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.69 1trv n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1trv n ASN 51 N -0.99 3.88 -4.17 4.04 5.15 -1.26 -4.91 115.26 117.00 1trv n ASN 51 Ca 0.10 -2.07 -0.19 0.00 -0.60 0.00 0.00 54.58 51.82 1trv n ASN 51 Cb 0.05 -0.48 -0.12 0.00 -0.53 0.00 0.00 39.78 38.69 1trv n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1trv s VAL 52 N -1.20 1.14 -0.32 3.44 1.01 -0.72 -4.70 120.40 119.05 1trv s VAL 52 Ca 0.47 -1.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 1trv s VAL 52 Cb 0.26 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1trv s VAL 52 CO 0.30 -0.18 0.22 -0.63 0.00 0.00 0.00 175.10 174.81 1trv s ILE 53 N -1.20 5.19 -0.14 2.22 -1.09 -1.15 -4.86 121.20 120.18 1trv s ILE 53 Ca -0.01 -0.17 -0.03 0.00 -2.23 0.00 0.00 60.65 58.21 1trv s ILE 53 Cb -0.10 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 1trv s ILE 53 CO 0.02 0.05 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.40 1trv s PHE 54 N 1.72 3.06 0.40 3.97 0.08 -1.26 -1.53 117.98 124.42 1trv s PHE 54 Ca 0.06 -0.14 0.08 0.00 0.12 0.00 0.00 56.93 57.05 1trv s PHE 54 Cb -0.17 -1.91 -0.04 0.00 -0.57 0.00 0.00 43.02 40.33 1trv s PHE 54 CO 0.10 0.12 0.25 -0.51 -0.10 0.00 0.00 175.22 175.07 1trv s LEU 55 N 0.01 3.24 -0.24 -0.37 1.02 -1.02 -3.20 118.68 118.13 1trv s LEU 55 Ca 0.01 -0.91 -0.04 0.00 0.02 0.00 0.00 54.13 53.21 1trv s LEU 55 Cb -0.13 -1.71 0.09 0.00 0.02 0.00 0.00 46.19 44.45 1trv s LEU 55 CO 0.02 -0.55 0.13 -0.70 0.02 0.00 0.00 176.35 175.28 1trv s GLU 56 N -3.98 0.15 0.08 1.70 2.12 -0.69 -2.54 118.70 115.54 1trv s GLU 56 Ca 0.43 -0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.52 1trv s GLU 56 Cb 0.00 -1.40 -0.04 0.00 0.26 0.00 0.00 34.13 32.95 1trv s GLU 56 CO 0.25 -0.85 0.10 0.08 -0.54 0.00 0.00 175.26 174.29 1trv s VAL 57 N 2.15 4.64 -0.18 3.70 1.01 -0.43 -1.86 120.40 129.44 1trv s VAL 57 Ca 0.06 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 1trv s VAL 57 Cb -0.16 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1trv s VAL 57 CO -0.24 0.11 -0.15 -0.62 0.00 0.00 0.00 175.10 174.21 1trv s ASP 58 N -2.45 3.57 0.00 3.32 2.15 -1.26 -2.94 116.67 119.05 1trv s ASP 58 Ca 0.30 -0.53 0.08 0.00 0.43 0.00 0.00 52.55 52.83 1trv s ASP 58 Cb -0.12 -1.57 0.39 0.00 -0.30 0.00 0.00 42.92 41.33 1trv s ASP 58 CO 0.23 0.02 1.07 1.33 -0.17 0.00 0.00 175.17 177.65 1trv n VAL 59 N 4.47 0.70 -0.11 1.11 0.24 -1.17 0.28 118.33 123.85 1trv n VAL 59 Ca -0.20 0.18 -0.21 0.00 -2.04 0.00 0.00 64.34 62.07 1trv n VAL 59 Cb 0.51 -1.05 -0.09 0.00 -1.47 0.00 0.00 33.84 31.74 1trv n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1trv n ASP 60 N -1.23 1.88 0.01 -1.34 9.92 -1.26 -3.71 116.55 120.81 1trv n ASP 60 Ca 0.04 0.13 -0.08 0.00 -0.53 0.00 0.00 54.79 54.35 1trv n ASP 60 Cb 0.05 -0.54 -0.13 0.00 -0.64 0.00 0.00 41.12 39.86 1trv n ASP 60 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1trv h ASP 61 N -0.50 0.01 -0.61 -2.24 3.58 -1.89 -3.35 116.42 111.40 1trv h ASP 61 Ca -0.54 -0.01 -0.43 0.00 0.42 0.00 0.00 57.03 56.47 1trv h ASP 61 Cb 1.59 -0.00 -0.31 0.00 1.72 0.00 0.00 39.33 42.33 1trv h ASP 61 CO -0.24 1.01 -0.49 0.00 -2.88 0.00 0.00 179.24 176.64 1trv n ALA 62 N -2.49 4.88 0.23 -0.78 0.00 0.14 -4.75 120.51 117.75 1trv n ALA 62 Ca -0.11 -3.60 0.12 0.00 0.00 0.00 0.00 53.44 49.84 1trv n ALA 62 Cb 1.01 -0.54 0.62 0.00 0.00 0.00 0.00 19.45 20.54 1trv n ALA 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1trv h GLN 63 N 1.83 0.00 -0.26 0.00 3.07 -1.63 0.83 115.11 118.95 1trv h GLN 63 Ca 0.32 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.89 1trv h GLN 63 Cb 1.39 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.95 1trv h GLN 63 CO 0.69 0.00 -0.52 0.38 0.09 0.00 0.00 178.83 179.48 1trv h ASP 64 N 0.00 0.82 0.84 0.06 2.03 -1.90 -2.64 116.42 115.64 1trv h ASP 64 Ca 0.00 -0.42 -0.22 0.00 -0.73 0.00 0.00 57.03 55.66 1trv h ASP 64 Cb 0.42 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 38.67 1trv h ASP 64 CO 0.00 1.18 -1.01 0.58 -1.03 0.00 0.00 179.24 178.96 1trv h VAL 65 N 0.58 1.63 -0.76 4.15 2.07 -1.15 -3.23 116.25 119.53 1trv h VAL 65 Ca 0.02 -3.17 -0.03 0.00 0.82 0.00 0.00 66.70 64.34 1trv h VAL 65 Cb 1.09 2.78 -0.04 0.00 -1.52 0.00 0.00 31.29 33.60 1trv h VAL 65 CO 0.11 0.91 0.35 0.00 0.02 0.00 0.00 177.57 178.96 1trv h ALA 66 N 0.93 1.19 0.00 1.67 0.00 -1.40 -1.01 119.26 120.64 1trv h ALA 66 Ca -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1trv h ALA 66 Cb 1.74 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1trv h ALA 66 CO 0.14 0.61 -0.09 0.77 0.00 0.00 0.00 179.25 180.69 1trv h SER 67 N 1.09 0.00 0.54 0.00 0.02 -1.49 0.34 113.55 114.04 1trv h SER 67 Ca 0.26 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1trv h SER 67 Cb 0.13 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.67 1trv h SER 67 CO -0.03 0.09 -0.26 -0.08 -1.14 0.00 0.00 176.83 175.41 1trv h GLU 68 N 0.00 -0.69 -0.01 3.45 4.81 -1.23 -2.74 114.58 118.16 1trv h GLU 68 Ca -0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1trv h GLU 68 Cb 0.34 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1trv h GLU 68 CO 0.01 -0.39 0.00 0.00 -0.73 0.00 0.00 179.01 177.90 1trv n ALA 69 N -2.56 2.64 -3.50 2.92 0.00 -1.13 -4.92 120.51 113.97 1trv n ALA 69 Ca -0.11 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 52.85 1trv n ALA 69 Cb 0.33 -1.39 0.05 0.00 0.00 0.00 0.00 19.45 18.43 1trv n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1trv n GLU 70 N -0.69 -1.56 -2.82 0.00 1.02 0.05 -4.88 120.64 111.76 1trv n GLU 70 Ca 0.21 0.69 -0.43 0.00 -0.02 0.00 0.00 57.16 57.61 1trv n GLU 70 Cb 0.15 -4.73 -0.04 0.00 -0.02 0.00 0.00 31.44 26.80 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1trv s VAL 71 N -3.38 4.41 -0.38 2.62 1.01 -0.87 -4.85 120.40 118.96 1trv s VAL 71 Ca 0.41 0.51 0.15 0.00 0.00 0.00 0.00 61.98 63.05 1trv s VAL 71 Cb -0.11 -4.50 0.47 0.00 0.00 0.00 0.00 36.38 32.24 1trv s VAL 71 CO 0.81 -1.01 1.38 0.29 0.00 0.00 0.00 175.10 176.58 1trv n LYS 72 N 7.39 2.94 -3.19 2.72 5.02 -1.26 -4.88 118.16 126.89 1trv n LYS 72 Ca 0.04 -2.63 0.01 0.00 -2.02 0.00 0.00 58.31 53.71 1trv n LYS 72 Cb 0.48 -1.69 -0.02 0.00 -0.02 0.00 0.00 35.03 33.77 1trv n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1trv s ALA 73 N -2.33 -2.02 0.14 7.82 0.00 -1.26 -5.16 121.76 118.95 1trv s ALA 73 Ca 0.37 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.81 1trv s ALA 73 Cb 0.28 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1trv s ALA 73 CO 0.11 -1.44 0.19 0.95 0.00 0.00 0.00 175.76 175.57 1trv s THR 74 N 2.78 4.90 0.72 0.00 -4.23 -1.26 -4.18 115.64 114.36 1trv s THR 74 Ca 0.17 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 59.74 1trv s THR 74 Cb -0.14 -3.48 0.02 0.00 1.34 0.00 0.00 72.50 70.24 1trv s THR 74 CO -0.22 -0.05 1.08 -2.16 -0.54 0.00 0.00 174.62 172.74 1trv s PRO 75 N -3.00 2.72 0.01 3.99 0.04 -1.26 -4.94 135.00 132.56 1trv s PRO 75 Ca 0.32 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 61.94 1trv s PRO 75 Cb -0.11 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1trv s PRO 75 CO 0.26 -1.18 0.21 0.99 0.04 0.00 0.00 177.00 177.32 1trv s THR 76 N -3.19 0.08 -0.01 1.26 2.01 -0.80 -3.30 115.64 111.70 1trv s THR 76 Ca 0.59 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.97 1trv s THR 76 Cb -0.13 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.75 1trv s THR 76 CO 0.54 -0.37 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.57 1trv s PHE 77 N -1.68 1.50 0.01 4.92 0.08 -0.77 -1.33 117.98 120.72 1trv s PHE 77 Ca -0.12 -0.29 0.06 0.00 0.12 0.00 0.00 56.93 56.70 1trv s PHE 77 Cb -0.05 -0.96 -0.02 0.00 -0.57 0.00 0.00 43.02 41.42 1trv s PHE 77 CO 0.01 -0.02 -0.17 -0.65 -0.10 0.00 0.00 175.22 174.30 1trv s GLN 78 N -0.46 1.25 -0.34 0.44 -0.21 -1.14 -1.73 119.66 117.46 1trv s GLN 78 Ca 0.06 -0.71 -0.08 0.00 0.02 0.00 0.00 55.36 54.65 1trv s GLN 78 Cb -0.07 -1.25 0.03 0.00 1.00 0.00 0.00 33.01 32.72 1trv s GLN 78 CO -0.00 0.33 0.13 -0.06 -2.12 0.00 0.00 175.29 173.57 1trv s PHE 79 N -0.59 3.23 0.11 0.91 0.40 0.11 -1.66 117.98 120.49 1trv s PHE 79 Ca 0.05 -1.19 0.06 0.00 -0.60 0.00 0.00 56.93 55.26 1trv s PHE 79 Cb -0.07 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 1trv s PHE 79 CO 0.00 -0.67 -0.05 -0.06 0.70 0.00 0.00 175.22 175.15 1trv s PHE 80 N 1.47 2.84 -0.18 0.36 0.08 0.29 -1.96 117.98 120.89 1trv s PHE 80 Ca 0.00 -0.11 -0.11 0.00 0.12 0.00 0.00 56.93 56.84 1trv s PHE 80 Cb -0.19 -1.46 0.06 0.00 -0.57 0.00 0.00 43.02 40.86 1trv s PHE 80 CO 0.04 0.46 0.43 0.21 -0.10 0.00 0.00 175.22 176.27 1trv s LYS 81 N -2.39 0.43 -1.34 0.44 2.20 -0.74 -1.32 119.74 117.02 1trv s LYS 81 Ca 0.24 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1trv s LYS 81 Cb -0.11 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 1trv s LYS 81 CO 0.16 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.64 1trv n LYS 82 N 4.02 -1.28 -1.97 4.03 5.02 -1.26 0.90 118.16 127.62 1trv n LYS 82 Ca -0.21 0.75 -0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1trv n LYS 82 Cb 0.56 -4.99 -0.00 0.00 -0.02 0.00 0.00 35.03 30.58 1trv n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1trv n GLY 83 N -0.24 0.37 2.88 0.72 0.00 -1.26 -5.04 105.19 102.61 1trv n GLY 83 Ca -0.13 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 1trv n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1trv s GLN 84 N -3.93 1.02 0.03 1.61 -1.52 0.26 -5.11 119.66 112.03 1trv s GLN 84 Ca 0.00 -0.12 -0.30 0.00 -1.95 0.00 0.00 55.36 52.99 1trv s GLN 84 Cb 0.00 -1.10 -0.07 0.00 -0.22 0.00 0.00 33.01 31.62 1trv s GLN 84 CO 0.00 -0.16 1.63 0.21 -0.25 0.00 0.00 175.29 176.72 1trv s LYS 85 N 1.32 4.20 -0.00 2.91 2.20 -1.26 -1.79 119.74 127.32 1trv s LYS 85 Ca -0.04 2.26 0.03 0.00 -0.36 0.00 0.00 55.97 57.86 1trv s LYS 85 Cb -0.14 -3.69 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 1trv s LYS 85 CO -0.02 -0.74 0.09 1.33 -0.36 0.00 0.00 175.35 175.64 1trv n VAL 86 N 4.90 0.00 -3.60 4.02 0.24 -0.83 -4.97 118.33 118.10 1trv n VAL 86 Ca 0.16 -0.24 -0.04 0.00 -2.04 0.00 0.00 64.34 62.18 1trv n VAL 86 Cb 0.41 0.70 -0.02 0.00 -1.47 0.00 0.00 33.84 33.47 1trv n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1trv s GLY 87 N -1.82 -0.31 -0.08 7.63 0.00 -1.20 -5.02 107.32 106.51 1trv s GLY 87 Ca -0.00 1.47 -0.32 0.00 0.00 0.00 0.00 44.72 45.87 1trv s GLY 87 CO 0.12 0.48 1.16 -1.83 0.00 0.00 0.00 173.10 173.03 1trv s GLU 88 N -2.44 0.49 -0.08 2.90 -1.05 -1.26 0.04 118.70 117.29 1trv s GLU 88 Ca 0.10 -0.22 -0.31 0.00 -0.15 0.00 0.00 54.97 54.39 1trv s GLU 88 Cb -0.00 0.20 0.12 0.00 -0.44 0.00 0.00 34.13 34.00 1trv s GLU 88 CO -0.05 -0.22 1.01 -0.59 0.95 0.00 0.00 175.26 176.37 1trv s PHE 89 N -2.60 -0.27 0.03 4.83 -0.12 -0.71 -4.99 117.98 114.15 1trv s PHE 89 Ca 0.10 0.19 0.06 0.00 -0.05 0.00 0.00 56.93 57.24 1trv s PHE 89 Cb 0.01 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 42.90 1trv s PHE 89 CO -0.04 -0.41 -0.19 -1.54 -0.05 0.00 0.00 175.22 172.99 1trv s SER 90 N -2.28 2.25 0.00 1.98 1.04 -1.26 -1.85 113.70 113.58 1trv s SER 90 Ca 0.06 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1trv s SER 90 Cb -0.01 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1trv s SER 90 CO -0.07 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1trv n GLY 91 N 1.98 4.24 1.47 7.32 0.00 -1.21 -4.95 105.19 114.04 1trv n GLY 91 Ca -0.17 -0.58 -0.00 0.00 0.00 0.00 0.00 46.02 45.27 1trv n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1trv n ALA 92 N -1.37 3.90 -3.29 4.61 0.00 -1.26 -4.64 120.51 118.46 1trv n ALA 92 Ca 0.00 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 1trv n ALA 92 Cb 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 1trv n ALA 92 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1trv n ASN 93 N 1.39 5.59 0.23 0.00 4.05 -1.26 -4.84 115.26 120.42 1trv n ASN 93 Ca 0.01 -3.14 0.13 0.00 0.45 0.00 0.00 54.58 52.02 1trv n ASN 93 Cb 0.50 -1.31 0.74 0.00 1.23 0.00 0.00 39.78 40.94 1trv n ASN 93 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1trv h LYS 94 N 6.25 0.00 -0.07 1.20 -0.00 -1.96 -0.30 116.57 121.69 1trv h LYS 94 Ca 0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.74 1trv h LYS 94 Cb 0.80 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.02 1trv h LYS 94 CO 1.08 0.00 -0.37 0.93 -0.00 0.00 0.00 179.45 181.09 1trv h GLU 95 N 0.00 0.14 -0.03 0.07 4.39 -1.98 -2.50 114.58 114.66 1trv h GLU 95 Ca 0.05 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1trv h GLU 95 Cb 0.21 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1trv h GLU 95 CO -0.00 0.50 -0.13 -0.22 -1.16 0.00 0.00 179.01 178.00 1trv h LYS 96 N 0.12 0.05 -0.92 2.33 3.64 -1.45 -2.05 116.57 118.29 1trv h LYS 96 Ca 0.01 -0.01 0.24 0.00 -1.27 0.00 0.00 60.65 59.62 1trv h LYS 96 Cb 0.71 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.47 1trv h LYS 96 CO 0.05 0.18 0.63 -0.07 -2.27 0.00 0.00 179.45 177.97 1trv h LEU 97 N 0.05 0.23 0.42 5.20 3.38 -1.48 0.15 115.31 123.26 1trv h LEU 97 Ca 0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1trv h LEU 97 Cb 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1trv h LEU 97 CO 0.02 0.08 -0.20 -0.08 0.09 0.00 0.00 178.44 178.35 1trv h GLU 98 N 0.22 -0.54 -0.21 1.13 4.81 -1.53 0.23 114.58 118.70 1trv h GLU 98 Ca 0.47 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.80 1trv h GLU 98 Cb 1.46 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.96 1trv h GLU 98 CO -0.12 -0.36 0.17 0.00 -0.73 0.00 0.00 179.01 177.97 1trv h ALA 99 N -1.69 2.05 -0.14 2.92 0.00 -1.54 -1.71 119.26 119.15 1trv h ALA 99 Ca -0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1trv h ALA 99 Cb 0.43 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1trv h ALA 99 CO 0.09 -0.27 -0.33 1.15 0.00 0.00 0.00 179.25 179.90 1trv h THR 100 N 0.00 1.37 -0.47 0.00 2.02 -0.44 -3.00 112.91 112.38 1trv h THR 100 Ca 0.10 -1.61 0.02 0.00 0.77 0.00 0.00 66.41 65.69 1trv h THR 100 Cb 0.43 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 1trv h THR 100 CO -0.00 0.48 0.31 0.40 0.37 0.00 0.00 175.52 177.08 1trv h ILE 101 N 0.07 1.07 0.00 3.11 2.04 0.38 0.44 117.51 124.61 1trv h ILE 101 Ca -0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1trv h ILE 101 Cb 0.93 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1trv h ILE 101 CO 0.07 0.10 0.00 -3.20 0.00 0.00 0.00 178.15 175.12 1trv n ASN 102 N -4.47 0.00 -0.03 1.72 2.85 -0.99 -2.21 115.26 112.13 1trv n ASN 102 Ca 0.05 -0.85 -0.08 0.00 -0.11 0.00 0.00 54.58 53.59 1trv n ASN 102 Cb 0.12 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.07 1trv n ASN 102 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1trv h GLU 103 N 0.00 -0.06 -0.45 1.20 4.57 0.02 -3.35 114.58 116.50 1trv h GLU 103 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1trv h GLU 103 Cb 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1trv h GLU 103 CO 0.00 0.39 0.00 1.28 -1.18 0.00 0.00 179.01 179.50 1trv n LEU 104 N -4.76 4.73 0.00 1.64 4.77 -1.23 -5.13 117.00 117.02 1trv n LEU 104 Ca -0.05 -2.84 0.02 0.00 -0.03 0.00 0.00 56.01 53.10 1trv n LEU 104 Cb 0.24 -0.59 0.09 0.00 -2.33 0.00 0.00 43.42 40.82 1trv n LEU 104 CO 0.18 0.68 0.33 0.55 -1.33 0.00 0.00 177.39 177.80