#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 0.01 -0.15 2.03 1.01 -1.26 -4.23 120.40 117.82 1trv s VAL 2 Ca 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 59.93 1trv s VAL 2 Cb 0.00 -2.50 0.07 0.00 0.00 0.00 0.00 36.38 33.95 1trv s VAL 2 CO 0.00 0.00 0.28 -0.75 0.00 0.00 0.00 175.10 174.63 1trv s LYS 3 N -3.84 0.17 -0.13 2.72 2.47 -1.19 -5.01 119.74 114.92 1trv s LYS 3 Ca 0.40 0.73 -0.29 0.00 -1.56 0.00 0.00 55.97 55.25 1trv s LYS 3 Cb 0.05 -0.09 -0.01 0.00 -1.46 0.00 0.00 37.83 36.32 1trv s LYS 3 CO 0.19 -0.32 1.05 -1.14 0.16 0.00 0.00 175.35 175.29 1trv s GLN 4 N 2.44 4.36 -0.20 4.03 0.74 -1.26 -1.61 119.66 128.16 1trv s GLN 4 Ca 0.02 1.43 -0.17 0.00 0.05 0.00 0.00 55.36 56.69 1trv s GLN 4 Cb -0.12 -3.58 -0.04 0.00 1.10 0.00 0.00 33.01 30.37 1trv s GLN 4 CO -0.09 -0.43 0.46 0.42 -0.55 0.00 0.00 175.29 175.10 1trv s ILE 5 N 2.40 5.15 -0.10 -2.34 -1.09 -0.78 -4.94 121.20 119.50 1trv s ILE 5 Ca 0.49 0.83 0.15 0.00 -2.23 0.00 0.00 60.65 59.89 1trv s ILE 5 Cb -0.18 -3.79 -0.23 0.00 -1.58 0.00 0.00 42.46 36.68 1trv s ILE 5 CO 0.15 0.21 0.51 -0.62 -1.23 0.00 0.00 174.94 173.96 1trv n GLU 6 N 4.66 0.65 -0.14 2.79 4.71 -1.26 -4.39 120.64 127.65 1trv n GLU 6 Ca -0.06 0.18 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 1trv n GLU 6 Cb 0.51 -1.71 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1trv n SER 7 N -2.91 0.00 0.12 1.62 3.41 -1.26 -3.91 113.62 110.69 1trv n SER 7 Ca -0.20 -0.13 0.03 0.00 -0.26 0.00 0.00 58.87 58.31 1trv n SER 7 Cb 1.04 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 65.00 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 0.17 4.33 3.64 -1.93 -3.08 116.57 119.70 1trv h LYS 8 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 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 0.43 -0.13 1.15 -2.27 0.00 0.00 179.45 178.63 1trv h THR 9 N 0.00 0.72 0.00 1.00 2.02 -2.01 -1.74 112.91 112.90 1trv h THR 9 Ca -0.03 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 1trv h THR 9 Cb 1.39 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1trv h THR 9 CO 0.06 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 175.58 1trv h ALA 10 N 0.51 1.17 0.26 6.16 0.00 -1.98 -2.85 119.26 122.52 1trv h ALA 10 Ca -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1trv h ALA 10 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1trv h ALA 10 CO -0.01 0.46 -0.12 0.35 0.00 0.00 0.00 179.25 179.93 1trv h PHE 11 N 0.00 -0.32 -0.24 0.00 3.57 -1.27 0.19 116.94 118.87 1trv h PHE 11 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1trv h PHE 11 Cb 0.76 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1trv h PHE 11 CO 0.00 -0.19 0.12 1.96 -2.23 0.00 0.00 178.31 177.97 1trv h GLN 12 N -0.36 0.34 0.00 1.11 4.20 -1.29 -1.66 115.11 117.45 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 0.28 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1trv h GLN 12 CO 0.06 0.33 -0.02 0.93 -0.67 0.00 0.00 178.83 179.46 1trv h GLU 13 N 0.26 0.00 -0.01 1.46 5.08 -1.34 -1.64 114.58 118.39 1trv h GLU 13 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1trv h GLU 13 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1trv h GLU 13 CO -0.01 0.02 -0.01 0.00 -1.00 0.00 0.00 179.01 178.01 1trv h ALA 14 N 1.98 0.02 0.00 3.43 0.00 0.32 -2.40 119.26 122.61 1trv h ALA 14 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1trv h ALA 14 Cb 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1trv h ALA 14 CO 0.00 -0.27 -0.05 -0.07 0.00 0.00 0.00 179.25 178.87 1trv h LEU 15 N -0.37 0.00 -0.18 0.00 3.38 -0.94 -2.29 115.31 114.91 1trv h LEU 15 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1trv h LEU 15 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1trv h LEU 15 CO 0.00 0.05 -0.29 -0.78 0.09 0.00 0.00 178.44 177.51 1trv h ASP 16 N 0.00 0.57 1.09 -0.43 3.58 -0.97 -2.97 116.42 117.29 1trv h ASP 16 Ca -0.00 -0.53 -0.02 0.00 0.42 0.00 0.00 57.03 56.90 1trv h ASP 16 Cb 0.30 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 1trv h ASP 16 CO 0.01 0.99 -0.11 0.00 -2.88 0.00 0.00 179.24 177.24 1trv h ALA 17 N 0.60 1.00 -0.09 -0.78 0.00 -0.97 -2.86 119.26 116.16 1trv h ALA 17 Ca 0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1trv h ALA 17 Cb 0.87 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1trv h ALA 17 CO 0.07 0.14 -0.21 0.00 0.00 0.00 0.00 179.25 179.24 1trv h ALA 18 N 1.89 1.48 0.00 0.00 0.00 -1.26 -3.47 119.26 117.89 1trv h ALA 18 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 18 Cb 0.69 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1trv h ALA 18 CO 0.01 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1trv n GLY 19 N -0.75 1.85 0.00 0.00 0.00 -1.08 -3.45 105.19 101.75 1trv n GLY 19 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1trv n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1trv n ASP 20 N 6.04 0.00 -4.71 1.61 8.00 -1.26 -4.57 116.55 121.66 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 0.71 0.00 0.00 54.79 54.21 1trv n ASP 20 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.24 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1trv s LYS 21 N 0.00 1.08 0.76 -1.24 1.02 -1.22 -4.37 119.74 115.77 1trv s LYS 21 Ca 0.00 0.21 -0.13 0.00 0.02 0.00 0.00 55.97 56.07 1trv s LYS 21 Cb 0.00 -1.84 0.06 0.00 -0.52 0.00 0.00 37.83 35.53 1trv s LYS 21 CO 0.00 -2.22 1.17 -1.17 -0.92 0.00 0.00 175.35 172.20 1trv s LEU 22 N -6.02 3.20 -0.28 3.17 0.20 -1.26 -4.30 118.68 113.38 1trv s LEU 22 Ca 0.65 2.22 -0.00 0.00 0.69 0.00 0.00 54.13 57.68 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 0.53 -2.33 0.32 -0.69 -0.29 0.00 0.00 176.35 173.89 1trv s VAL 23 N -2.27 -0.47 0.58 1.68 1.01 -0.12 -3.12 120.40 117.70 1trv s VAL 23 Ca 0.70 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 1trv s VAL 23 Cb -0.25 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1trv s VAL 23 CO 0.48 -0.37 0.85 -0.69 0.00 0.00 0.00 175.10 175.38 1trv s VAL 24 N 2.42 3.00 0.01 2.92 1.01 -0.64 -0.24 120.40 128.88 1trv s VAL 24 Ca 0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1trv s VAL 24 Cb -0.14 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1trv s VAL 24 CO -0.29 -0.16 0.02 -0.69 0.00 0.00 0.00 175.10 173.98 1trv s VAL 25 N -2.91 0.08 -0.26 2.92 1.01 -0.55 -2.59 120.40 118.09 1trv s VAL 25 Ca 0.56 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1trv s VAL 25 Cb -0.10 -0.23 0.05 0.00 0.00 0.00 0.00 36.38 36.09 1trv s VAL 25 CO 0.42 -0.34 -0.09 -0.62 0.00 0.00 0.00 175.10 174.46 1trv s ASP 26 N -1.04 4.41 -0.58 3.32 -1.08 -1.05 -2.88 116.67 117.77 1trv s ASP 26 Ca -0.11 -1.26 -0.15 0.00 -0.52 0.00 0.00 52.55 50.51 1trv s ASP 26 Cb -0.07 -1.59 0.14 0.00 -1.46 0.00 0.00 42.92 39.95 1trv s ASP 26 CO -0.00 -0.18 0.52 -0.36 0.52 0.00 0.00 175.17 175.67 1trv s PHE 27 N 1.17 3.35 0.13 -5.34 0.40 0.02 -1.15 117.98 116.57 1trv s PHE 27 Ca -0.06 -1.48 0.01 0.00 -0.60 0.00 0.00 56.93 54.79 1trv s PHE 27 Cb -0.19 -3.76 0.01 0.00 0.51 0.00 0.00 43.02 39.58 1trv s PHE 27 CO -0.05 -1.01 0.04 0.43 0.70 0.00 0.00 175.22 175.34 1trv n SER 28 N 4.99 1.94 -3.76 1.36 7.64 -1.12 -1.75 113.62 122.91 1trv n SER 28 Ca -0.09 -1.51 -0.24 0.00 1.01 0.00 0.00 58.87 58.04 1trv n SER 28 Cb 0.41 0.04 -0.17 0.00 -1.01 0.00 0.00 64.21 63.48 1trv n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1trv s ALA 29 N -2.21 0.76 -0.02 -0.43 0.00 -1.08 -2.73 121.76 116.05 1trv s ALA 29 Ca 0.03 -0.25 -0.24 0.00 0.00 0.00 0.00 51.96 51.51 1trv s ALA 29 Cb -0.00 -0.85 -0.20 0.00 0.00 0.00 0.00 23.12 22.07 1trv s ALA 29 CO 0.02 -0.63 1.18 0.00 0.00 0.00 0.00 175.76 176.34 1trv h THR 30 N 6.37 1.45 -0.18 0.00 1.03 -1.96 -2.93 112.91 116.68 1trv h THR 30 Ca -0.19 -1.54 0.05 0.00 -0.01 0.00 0.00 66.41 64.72 1trv h THR 30 Cb 1.12 2.34 -0.01 0.00 -1.07 0.00 0.00 68.15 70.54 1trv h THR 30 CO 0.28 0.43 0.34 4.11 -0.01 0.00 0.00 175.52 180.67 1trv h TRP 31 N -0.35 0.00 -3.54 0.00 5.08 -1.95 -3.40 115.95 111.78 1trv h TRP 31 Ca -0.00 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.47 1trv h TRP 31 Cb 0.77 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.93 1trv h TRP 31 CO 0.13 0.00 0.04 0.00 -1.28 0.00 0.00 178.44 177.33 1trv n GLY 33 N -1.32 -0.61 0.22 0.00 0.00 -1.26 -4.38 105.19 97.85 1trv n GLY 33 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.27 0.39 -1.75 1.61 0.11 -1.96 -0.99 132.00 129.15 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 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1trv h PRO 34 CO 0.00 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.05 1trv n LYS 36 N 1.29 0.00 0.00 0.00 4.81 -0.39 -2.65 118.16 121.22 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 0.36 -0.48 0.51 0.00 0.02 0.00 0.00 35.03 35.44 1trv n LYS 36 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1trv n MET 37 N -0.93 0.59 -0.17 1.64 0.00 -1.14 -2.09 117.12 115.02 1trv n MET 37 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.82 1trv n MET 37 Cb 0.00 -1.46 0.20 0.00 0.00 0.00 0.00 33.22 31.96 1trv n MET 37 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1trv n ILE 38 N -0.96 0.44 0.12 3.17 5.41 -1.26 -4.31 119.36 121.96 1trv n ILE 38 Ca 0.13 -0.71 0.03 0.00 1.00 0.00 0.00 62.75 63.20 1trv n ILE 38 Cb 0.06 1.05 0.01 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 4.53 0.00 0.00 0.38 2.10 -1.77 -3.20 116.57 118.61 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 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1trv h LYS 39 CO 0.00 0.37 0.00 -0.35 -2.00 0.00 0.00 179.45 177.47 1trv n PRO 40 N -3.09 0.19 -0.07 0.07 -0.05 -1.26 -0.80 135.00 129.99 1trv n PRO 40 Ca -0.01 0.39 -0.07 0.00 -0.05 0.00 0.00 63.50 63.77 1trv n PRO 40 Cb 0.73 -1.85 -0.04 0.00 -0.05 0.00 0.00 33.50 32.29 1trv n PRO 40 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 175.50 176.19 1trv h PHE 41 N 0.00 0.00 -0.13 0.54 -1.00 -1.83 -2.82 116.94 111.69 1trv h PHE 41 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1trv h PHE 41 Cb 0.39 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 1trv h PHE 41 CO 0.00 0.38 0.09 0.35 -1.61 0.00 0.00 178.31 177.52 1trv h PHE 42 N -1.00 0.17 0.00 -0.55 3.57 -1.55 -1.93 116.94 115.66 1trv h PHE 42 Ca -0.05 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1trv h PHE 42 Cb 0.51 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 1trv h PHE 42 CO -0.00 0.13 -0.08 1.25 -2.23 0.00 0.00 178.31 177.37 1trv h HIS 43 N 0.17 0.00 -0.10 0.41 2.76 -1.14 -1.48 115.15 115.77 1trv h HIS 43 Ca 0.05 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.13 1trv h HIS 43 Cb -0.00 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1trv h HIS 43 CO -0.06 0.08 -0.35 1.03 -1.30 0.00 0.00 177.93 177.32 1trv h SER 44 N 0.00 0.21 -0.84 3.26 0.87 -1.08 -2.72 113.55 113.26 1trv h SER 44 Ca -0.00 -0.08 0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1trv h SER 44 Cb 0.17 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 1trv h SER 44 CO 0.01 0.56 0.55 -0.07 -0.53 0.00 0.00 176.83 177.34 1trv h LEU 45 N 0.18 0.82 -1.46 2.23 3.38 -1.03 -1.34 115.31 118.09 1trv h LEU 45 Ca 0.02 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.25 1trv h LEU 45 Cb 0.71 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 1trv h LEU 45 CO 0.05 0.54 0.67 0.28 0.09 0.00 0.00 178.44 180.07 1trv h SER 46 N 0.94 0.39 0.62 -0.43 0.02 -1.56 0.80 113.55 114.34 1trv h SER 46 Ca 0.36 0.07 -0.24 0.00 -0.84 0.00 0.00 61.79 61.14 1trv h SER 46 Cb 0.20 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1trv h SER 46 CO -0.13 0.09 -1.53 -0.33 -1.14 0.00 0.00 176.83 173.80 1trv h GLU 47 N 0.35 0.00 0.00 3.45 4.39 -1.41 -3.32 114.58 118.04 1trv h GLU 47 Ca 0.56 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.26 1trv h GLU 47 Cb 1.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 1trv h GLU 47 CO -0.24 0.43 -0.38 -0.22 -1.16 0.00 0.00 179.01 177.45 1trv h LYS 48 N 0.00 0.00 -2.20 2.33 3.64 -0.45 -3.38 116.57 116.52 1trv h LYS 48 Ca -0.22 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.58 1trv h LYS 48 Cb 1.82 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 33.24 1trv h LYS 48 CO 0.07 0.00 -0.91 0.66 -2.27 0.00 0.00 179.45 177.00 1trv n TYR 49 N -2.56 0.89 0.88 1.91 4.01 0.26 -4.91 117.16 117.64 1trv n TYR 49 Ca 0.03 -3.74 0.06 0.00 -0.16 0.00 0.00 57.90 54.10 1trv n TYR 49 Cb 0.49 -0.33 0.36 0.00 -0.31 0.00 0.00 39.34 39.55 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 1.53 0.00 -1.28 7.72 3.41 -1.25 -1.74 113.62 122.01 1trv n SER 50 Ca 0.25 -0.50 0.11 0.00 -0.26 0.00 0.00 58.87 58.47 1trv n SER 50 Cb 0.48 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.73 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 -0.93 3.72 -4.12 4.04 5.15 -1.26 -4.92 115.26 116.94 1trv n ASN 51 Ca 0.09 -2.00 -0.15 0.00 -0.60 0.00 0.00 54.58 51.92 1trv n ASN 51 Cb 0.04 -0.43 -0.12 0.00 -0.53 0.00 0.00 39.78 38.74 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 -1.13 0.82 -0.18 3.44 1.01 -0.71 -4.76 120.40 118.89 1trv s VAL 52 Ca 0.46 -1.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1trv s VAL 52 Cb 0.24 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 1trv s VAL 52 CO 0.32 -0.34 0.18 -0.63 0.00 0.00 0.00 175.10 174.63 1trv s ILE 53 N -1.47 5.39 -0.10 2.22 -1.09 -1.18 -4.94 121.20 120.03 1trv s ILE 53 Ca -0.05 0.29 0.04 0.00 -2.23 0.00 0.00 60.65 58.70 1trv s ILE 53 Cb -0.09 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1trv s ILE 53 CO 0.01 0.45 -0.22 -0.36 -1.23 0.00 0.00 174.94 173.59 1trv s PHE 54 N 0.23 2.42 0.43 3.97 0.08 -1.26 -1.62 117.98 122.23 1trv s PHE 54 Ca 0.11 -1.02 0.07 0.00 0.12 0.00 0.00 56.93 56.21 1trv s PHE 54 Cb -0.12 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.67 1trv s PHE 54 CO 0.00 -0.43 0.35 -0.51 -0.10 0.00 0.00 175.22 174.53 1trv s LEU 55 N 0.46 3.30 -0.25 -0.37 1.02 -1.07 -3.20 118.68 118.57 1trv s LEU 55 Ca -0.17 -0.84 -0.04 0.00 0.02 0.00 0.00 54.13 53.11 1trv s LEU 55 Cb -0.17 -1.89 0.10 0.00 0.02 0.00 0.00 46.19 44.24 1trv s LEU 55 CO 0.07 -0.67 0.16 -0.70 0.02 0.00 0.00 176.35 175.23 1trv s GLU 56 N -4.11 0.19 0.07 1.70 2.12 -0.63 -2.53 118.70 115.51 1trv s GLU 56 Ca 0.46 -0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.56 1trv s GLU 56 Cb -0.02 -1.22 -0.04 0.00 0.26 0.00 0.00 34.13 33.11 1trv s GLU 56 CO 0.27 -0.90 0.10 0.08 -0.54 0.00 0.00 175.26 174.27 1trv s VAL 57 N 2.19 4.70 -0.21 3.70 1.01 -0.30 -1.86 120.40 129.63 1trv s VAL 57 Ca 0.07 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1trv s VAL 57 Cb -0.16 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1trv s VAL 57 CO -0.27 0.13 -0.10 -0.62 0.00 0.00 0.00 175.10 174.25 1trv s ASP 58 N -2.39 3.91 0.00 3.32 2.15 -1.26 -2.81 116.67 119.59 1trv s ASP 58 Ca 0.30 -0.52 0.00 0.00 0.43 0.00 0.00 52.55 52.76 1trv s ASP 58 Cb -0.12 -1.65 0.00 0.00 -0.30 0.00 0.00 42.92 40.85 1trv s ASP 58 CO 0.23 -0.02 0.29 1.33 -0.17 0.00 0.00 175.17 176.83 1trv n VAL 59 N 4.73 0.00 -0.00 1.11 0.24 -1.10 -0.70 118.33 122.60 1trv n VAL 59 Ca -0.19 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.10 1trv n VAL 59 Cb 0.50 -0.35 -0.00 0.00 -1.47 0.00 0.00 33.84 32.52 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 -0.49 2.92 0.13 -1.34 9.92 -1.26 -4.33 116.55 122.10 1trv n ASP 60 Ca 0.00 -0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 1trv n ASP 60 Cb 0.00 -0.02 0.05 0.00 -0.64 0.00 0.00 41.12 40.51 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 -0.01 0.00 -0.96 -2.24 1.82 -1.85 -3.36 116.42 109.83 1trv h ASP 61 Ca -0.02 -0.01 -0.48 0.00 -0.39 0.00 0.00 57.03 56.12 1trv h ASP 61 Cb 1.03 0.00 -0.42 0.00 0.68 0.00 0.00 39.33 40.62 1trv h ASP 61 CO -0.01 0.01 -0.90 0.00 -1.61 0.00 0.00 179.24 176.73 1trv n ALA 62 N -2.14 4.36 0.24 -0.78 0.00 0.12 -4.64 120.51 117.68 1trv n ALA 62 Ca 0.01 -3.67 0.12 0.00 0.00 0.00 0.00 53.44 49.91 1trv n ALA 62 Cb 0.54 -0.58 0.66 0.00 0.00 0.00 0.00 19.45 20.07 1trv n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1trv h GLN 63 N 2.50 0.00 -0.30 0.00 1.08 -1.72 0.58 115.11 117.25 1trv h GLN 63 Ca 0.19 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.22 1trv h GLN 63 Cb 1.25 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1trv h GLN 63 CO 0.64 0.00 -0.48 0.38 -0.95 0.00 0.00 178.83 178.42 1trv h ASP 64 N 0.00 0.95 0.80 1.46 2.03 -1.91 -2.34 116.42 117.41 1trv h ASP 64 Ca 0.00 -0.52 -0.23 0.00 -0.73 0.00 0.00 57.03 55.56 1trv h ASP 64 Cb 0.44 -0.27 -0.02 0.00 -0.83 0.00 0.00 39.33 38.65 1trv h ASP 64 CO 0.00 1.28 -1.04 0.58 -1.03 0.00 0.00 179.24 179.03 1trv h VAL 65 N 0.64 1.60 -0.68 4.15 2.07 -1.22 -3.11 116.25 119.70 1trv h VAL 65 Ca 0.02 -3.13 -0.03 0.00 0.82 0.00 0.00 66.70 64.39 1trv h VAL 65 Cb 1.09 2.79 -0.03 0.00 -1.52 0.00 0.00 31.29 33.62 1trv h VAL 65 CO 0.11 0.90 0.32 0.00 0.02 0.00 0.00 177.57 178.93 1trv h ALA 66 N 0.87 0.88 0.00 1.67 0.00 -1.38 -1.77 119.26 119.54 1trv h ALA 66 Ca -0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1trv h ALA 66 Cb 1.77 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1trv h ALA 66 CO 0.15 0.45 -0.28 0.66 0.00 0.00 0.00 179.25 180.23 1trv h SER 67 N 0.95 0.00 0.65 0.00 4.64 -1.45 0.21 113.55 118.55 1trv h SER 67 Ca 0.23 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 1trv h SER 67 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1trv h SER 67 CO -0.03 0.28 -0.33 -0.08 -0.87 0.00 0.00 176.83 175.80 1trv h GLU 68 N 0.00 -0.87 -0.00 4.77 4.81 -1.25 -1.98 114.58 120.06 1trv h GLU 68 Ca -0.00 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1trv h GLU 68 Cb 0.51 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1trv h GLU 68 CO 0.04 -0.58 -0.03 0.00 -0.73 0.00 0.00 179.01 177.71 1trv n ALA 69 N -2.51 2.64 -3.40 2.92 0.00 -1.12 -4.93 120.51 114.11 1trv n ALA 69 Ca -0.13 -0.22 -0.15 0.00 0.00 0.00 0.00 53.44 52.94 1trv n ALA 69 Cb 0.37 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.99 -1.46 -2.82 0.00 1.02 0.67 -4.88 120.64 112.18 1trv n GLU 70 Ca 0.19 0.99 -0.43 0.00 -0.02 0.00 0.00 57.16 57.88 1trv n GLU 70 Cb 0.21 -4.64 -0.04 0.00 -0.02 0.00 0.00 31.44 26.95 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 -3.17 4.50 -0.86 2.62 1.01 -0.88 -4.86 120.40 118.76 1trv s VAL 71 Ca 0.19 0.83 0.13 0.00 0.00 0.00 0.00 61.98 63.12 1trv s VAL 71 Cb -0.05 -4.41 0.39 0.00 0.00 0.00 0.00 36.38 32.31 1trv s VAL 71 CO 0.81 -0.77 1.32 0.29 0.00 0.00 0.00 175.10 176.75 1trv n LYS 72 N 7.07 2.93 -3.22 2.72 4.76 -1.26 -4.89 118.16 126.27 1trv n LYS 72 Ca 0.06 -2.28 -0.01 0.00 -2.87 0.00 0.00 58.31 53.22 1trv n LYS 72 Cb 0.48 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 32.21 1trv n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1trv s ALA 73 N -1.38 -1.86 0.13 7.82 0.00 -1.26 -5.16 121.76 120.06 1trv s ALA 73 Ca 0.30 1.53 0.03 0.00 0.00 0.00 0.00 51.96 53.82 1trv s ALA 73 Cb 0.18 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 1trv s ALA 73 CO 0.16 -1.30 0.18 0.95 0.00 0.00 0.00 175.76 175.74 1trv s THR 74 N 2.75 4.85 0.77 0.00 -4.23 -1.26 -4.19 115.64 114.32 1trv s THR 74 Ca 0.18 -0.83 -0.11 0.00 -1.18 0.00 0.00 61.69 59.75 1trv s THR 74 Cb -0.15 -3.44 0.05 0.00 1.34 0.00 0.00 72.50 70.30 1trv s THR 74 CO -0.19 -0.03 1.10 -2.16 -0.54 0.00 0.00 174.62 172.79 1trv s PRO 75 N -2.94 2.36 -0.00 3.99 0.04 -1.26 -4.91 135.00 132.27 1trv s PRO 75 Ca 0.32 0.59 -0.11 0.00 0.04 0.00 0.00 61.00 61.84 1trv s PRO 75 Cb -0.11 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1trv s PRO 75 CO 0.25 -1.42 0.23 0.99 0.04 0.00 0.00 177.00 177.09 1trv s THR 76 N -3.22 0.07 0.04 1.26 2.01 -0.72 -3.26 115.64 111.83 1trv s THR 76 Ca 0.60 -0.60 0.06 0.00 0.31 0.00 0.00 61.69 62.06 1trv s THR 76 Cb -0.13 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 1trv s THR 76 CO 0.53 -0.33 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.60 1trv s PHE 77 N -1.47 1.48 0.02 4.92 0.40 -0.87 -0.79 117.98 121.66 1trv s PHE 77 Ca -0.13 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 55.89 1trv s PHE 77 Cb -0.06 -0.88 -0.02 0.00 0.51 0.00 0.00 43.02 42.58 1trv s PHE 77 CO 0.02 0.06 -0.15 -0.65 0.70 0.00 0.00 175.22 175.21 1trv s GLN 78 N -1.15 1.06 -0.35 0.44 -0.21 -1.14 -2.01 119.66 116.30 1trv s GLN 78 Ca 0.04 -0.69 -0.08 0.00 0.02 0.00 0.00 55.36 54.65 1trv s GLN 78 Cb -0.08 -1.07 0.04 0.00 1.00 0.00 0.00 33.01 32.90 1trv s GLN 78 CO 0.01 0.27 0.14 -0.06 -2.12 0.00 0.00 175.29 173.54 1trv s PHE 79 N -0.67 3.26 0.14 0.91 0.40 0.11 -1.48 117.98 120.66 1trv s PHE 79 Ca 0.04 -1.34 0.06 0.00 -0.60 0.00 0.00 56.93 55.09 1trv s PHE 79 Cb -0.07 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.04 1trv s PHE 79 CO 0.01 -0.72 0.03 -0.06 0.70 0.00 0.00 175.22 175.18 1trv s PHE 80 N 1.44 2.98 -0.17 0.36 0.08 0.66 -1.99 117.98 121.34 1trv s PHE 80 Ca -0.00 -0.06 -0.10 0.00 0.12 0.00 0.00 56.93 56.88 1trv s PHE 80 Cb -0.20 -1.47 0.06 0.00 -0.57 0.00 0.00 43.02 40.84 1trv s PHE 80 CO 0.04 0.50 0.42 0.21 -0.10 0.00 0.00 175.22 176.29 1trv s LYS 81 N -2.74 0.42 -1.25 0.44 2.20 -0.64 -0.94 119.74 117.22 1trv s LYS 81 Ca 0.28 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.65 1trv s LYS 81 Cb -0.10 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 1trv s LYS 81 CO 0.20 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.68 1trv n LYS 82 N 4.02 -1.33 -1.81 4.03 5.02 -1.26 0.94 118.16 127.78 1trv n LYS 82 Ca -0.22 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1trv n LYS 82 Cb 0.56 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.65 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 -0.18 0.47 2.88 0.72 0.00 -1.26 -5.05 105.19 102.78 1trv n GLY 83 Ca -0.12 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.67 0.98 0.04 1.61 -1.52 0.27 -5.11 119.66 112.26 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 -1.04 -0.07 0.00 -0.22 0.00 0.00 33.01 31.67 1trv s GLN 84 CO 0.00 -0.14 1.61 0.21 -0.25 0.00 0.00 175.29 176.72 1trv s LYS 85 N 1.23 4.21 -0.00 2.91 2.20 -1.26 -1.62 119.74 127.41 1trv s LYS 85 Ca -0.06 2.25 0.02 0.00 -0.36 0.00 0.00 55.97 57.82 1trv s LYS 85 Cb -0.14 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 1trv s LYS 85 CO -0.02 -0.72 0.05 1.33 -0.36 0.00 0.00 175.35 175.64 1trv n VAL 86 N 4.80 0.00 -3.59 4.02 0.24 -0.84 -4.96 118.33 118.00 1trv n VAL 86 Ca 0.16 -0.17 -0.04 0.00 -2.04 0.00 0.00 64.34 62.24 1trv n VAL 86 Cb 0.41 0.63 -0.02 0.00 -1.47 0.00 0.00 33.84 33.39 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 -1.89 -0.33 -0.02 7.63 0.00 -1.19 -5.03 107.32 106.50 1trv s GLY 87 Ca -0.00 1.38 -0.30 0.00 0.00 0.00 0.00 44.72 45.80 1trv s GLY 87 CO 0.08 0.45 1.15 -1.83 0.00 0.00 0.00 173.10 172.95 1trv s GLU 88 N -2.54 0.59 -0.07 2.90 4.04 -1.26 0.06 118.70 122.42 1trv s GLU 88 Ca 0.09 -0.30 -0.31 0.00 0.04 0.00 0.00 54.97 54.49 1trv s GLU 88 Cb -0.00 0.22 0.12 0.00 0.02 0.00 0.00 34.13 34.49 1trv s GLU 88 CO -0.05 -0.27 1.03 -0.59 -1.84 0.00 0.00 175.26 173.54 1trv s PHE 89 N -2.69 -0.25 -0.01 4.83 -0.12 -0.85 -4.99 117.98 113.91 1trv s PHE 89 Ca 0.12 0.14 0.06 0.00 -0.05 0.00 0.00 56.93 57.20 1trv s PHE 89 Cb 0.01 0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1trv s PHE 89 CO -0.03 -0.41 -0.19 -1.54 -0.05 0.00 0.00 175.22 173.00 1trv s SER 90 N -2.38 2.22 0.00 1.98 1.04 -1.26 -2.05 113.70 113.24 1trv s SER 90 Ca 0.07 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1trv s SER 90 Cb -0.01 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.87 1trv s SER 90 CO -0.07 0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1trv n GLY 91 N 2.51 4.16 1.55 7.32 0.00 -1.20 -4.96 105.19 114.57 1trv n GLY 91 Ca -0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.17 4.23 -3.38 4.61 0.00 -1.26 -4.69 120.51 118.86 1trv n ALA 92 Ca 0.00 -0.20 -0.45 0.00 0.00 0.00 0.00 53.44 52.79 1trv n ALA 92 Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 1trv n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1trv s ASN 93 N 1.95 6.97 0.52 0.00 3.84 -1.26 -4.86 114.94 122.10 1trv s ASN 93 Ca 0.07 -3.31 0.17 0.00 0.21 0.00 0.00 52.86 49.99 1trv s ASN 93 Cb 0.03 -2.17 1.28 0.00 -0.55 0.00 0.00 41.25 39.84 1trv s ASN 93 CO -0.00 -0.37 2.13 0.07 -2.79 0.00 0.00 177.10 176.14 1trv h LYS 94 N 6.95 0.01 -0.09 0.43 2.10 -1.98 -0.95 116.57 123.05 1trv h LYS 94 Ca 0.15 -0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.71 1trv h LYS 94 Cb 0.92 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.24 1trv h LYS 94 CO 0.91 0.01 -0.36 0.93 -2.00 0.00 0.00 179.45 178.93 1trv h GLU 95 N 0.01 0.18 -0.28 0.07 5.08 -1.99 -2.69 114.58 114.97 1trv h GLU 95 Ca 0.03 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1trv h GLU 95 Cb 0.11 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1trv h GLU 95 CO -0.00 0.53 0.04 -0.22 -1.00 0.00 0.00 179.01 178.35 1trv h LYS 96 N 0.16 0.42 -0.97 2.33 3.64 -1.58 -2.14 116.57 118.43 1trv h LYS 96 Ca 0.02 -0.07 0.22 0.00 -1.27 0.00 0.00 60.65 59.55 1trv h LYS 96 Cb 0.72 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.39 1trv h LYS 96 CO 0.05 0.42 0.63 -0.07 -2.27 0.00 0.00 179.45 178.21 1trv h LEU 97 N 0.41 0.48 0.48 5.20 3.38 -1.49 0.31 115.31 124.07 1trv h LEU 97 Ca 0.10 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1trv h LEU 97 Cb 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1trv h LEU 97 CO 0.00 0.16 -0.23 -0.08 0.09 0.00 0.00 178.44 178.38 1trv h GLU 98 N 0.46 -0.62 -0.22 1.13 4.81 -1.53 0.15 114.58 118.76 1trv h GLU 98 Ca 0.53 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.86 1trv h GLU 98 Cb 1.24 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 1trv h GLU 98 CO -0.24 -0.41 0.18 0.00 -0.73 0.00 0.00 179.01 177.81 1trv h ALA 99 N -1.65 2.06 -0.16 2.92 0.00 -1.51 -1.53 119.26 119.40 1trv h ALA 99 Ca -0.07 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1trv h ALA 99 Cb 0.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1trv h ALA 99 CO 0.11 -0.30 -0.36 1.15 0.00 0.00 0.00 179.25 179.85 1trv h THR 100 N 0.00 1.35 -0.55 0.00 2.02 -0.11 -3.01 112.91 112.60 1trv h THR 100 Ca 0.11 -1.62 0.03 0.00 0.77 0.00 0.00 66.41 65.69 1trv h THR 100 Cb 0.47 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 1trv h THR 100 CO -0.00 0.49 0.37 0.40 0.37 0.00 0.00 175.52 177.15 1trv h ILE 101 N 0.16 1.08 0.00 3.11 2.04 0.34 0.46 117.51 124.69 1trv h ILE 101 Ca 0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1trv h ILE 101 Cb 0.96 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1trv h ILE 101 CO 0.08 0.12 0.00 -3.20 0.00 0.00 0.00 178.15 175.15 1trv n ASN 102 N -4.47 0.00 -0.05 1.72 5.15 -1.03 -2.00 115.26 114.60 1trv n ASN 102 Ca 0.06 -0.69 -0.08 0.00 -0.60 0.00 0.00 54.58 53.28 1trv n ASN 102 Cb 0.12 -0.05 -0.07 0.00 -0.53 0.00 0.00 39.78 39.25 1trv n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1trv h GLU 103 N 0.00 -0.03 -0.47 1.20 4.81 0.05 -3.35 114.58 116.80 1trv h GLU 103 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1trv h GLU 103 Cb 0.04 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1trv h GLU 103 CO 0.00 0.48 0.00 1.28 -0.73 0.00 0.00 179.01 180.04 1trv n LEU 104 N -4.72 4.87 0.00 1.64 4.77 -1.22 -5.13 117.00 117.21 1trv n LEU 104 Ca -0.06 -2.87 0.01 0.00 -0.03 0.00 0.00 56.01 53.07 1trv n LEU 104 Cb 0.25 -0.61 0.09 0.00 -2.33 0.00 0.00 43.42 40.82 1trv n LEU 104 CO 0.19 0.67 0.33 0.55 -1.33 0.00 0.00 177.39 177.80