#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 0.00 -0.16 2.03 1.01 -1.26 -4.22 120.40 117.81 1trv s VAL 2 Ca 0.00 -1.97 -0.05 0.00 0.00 0.00 0.00 61.98 59.97 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 0.27 -0.75 0.00 0.00 0.00 175.10 174.62 1trv s LYS 3 N -3.82 0.18 -0.11 2.72 2.47 -1.20 -5.01 119.74 114.97 1trv s LYS 3 Ca 0.39 0.66 -0.30 0.00 -1.56 0.00 0.00 55.97 55.16 1trv s LYS 3 Cb 0.05 -0.25 -0.01 0.00 -1.46 0.00 0.00 37.83 36.16 1trv s LYS 3 CO 0.19 -0.38 1.04 -1.14 0.16 0.00 0.00 175.35 175.23 1trv s GLN 4 N 2.43 4.39 -0.25 4.03 0.74 -1.26 -1.50 119.66 128.24 1trv s GLN 4 Ca 0.03 1.44 -0.18 0.00 0.05 0.00 0.00 55.36 56.70 1trv s GLN 4 Cb -0.13 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.40 1trv s GLN 4 CO -0.10 -0.37 0.52 0.42 -0.55 0.00 0.00 175.29 175.21 1trv s ILE 5 N 2.18 5.07 -0.11 -2.34 -1.09 -0.48 -4.92 121.20 119.51 1trv s ILE 5 Ca 0.49 0.91 0.16 0.00 -2.23 0.00 0.00 60.65 59.98 1trv s ILE 5 Cb -0.19 -3.84 -0.19 0.00 -1.58 0.00 0.00 42.46 36.66 1trv s ILE 5 CO 0.17 0.10 0.64 -0.62 -1.23 0.00 0.00 174.94 174.01 1trv n GLU 6 N 5.39 0.64 -0.28 2.79 4.71 -1.26 -4.34 120.64 128.28 1trv n GLU 6 Ca -0.04 0.18 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 1trv n GLU 6 Cb 0.50 -1.74 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 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 -2.87 0.00 0.11 1.62 3.41 -1.26 -3.91 113.62 110.72 1trv n SER 7 Ca -0.15 -0.26 0.01 0.00 -0.26 0.00 0.00 58.87 58.22 1trv n SER 7 Cb 0.93 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.87 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 -3.15 116.57 119.45 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 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1trv h LYS 8 CO 0.00 0.50 -0.00 1.15 -2.27 0.00 0.00 179.45 178.82 1trv h THR 9 N 0.00 0.98 0.00 1.00 2.02 -2.01 -1.95 112.91 112.95 1trv h THR 9 Ca -0.04 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 1trv h THR 9 Cb 1.45 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1trv h THR 9 CO 0.07 0.00 -0.42 0.00 0.37 0.00 0.00 175.52 175.53 1trv h ALA 10 N 1.01 1.28 0.10 6.16 0.00 -1.98 -2.80 119.26 123.04 1trv h ALA 10 Ca 0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1trv h ALA 10 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1trv h ALA 10 CO -0.01 0.53 -0.05 0.35 0.00 0.00 0.00 179.25 180.06 1trv h PHE 11 N 0.00 -0.13 -0.15 0.00 3.57 -1.34 0.13 116.94 119.02 1trv h PHE 11 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1trv h PHE 11 Cb 0.76 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1trv h PHE 11 CO 0.00 -0.07 0.08 1.96 -2.23 0.00 0.00 178.31 178.05 1trv h GLN 12 N -0.16 0.21 0.00 1.11 1.08 -1.29 -1.68 115.11 114.37 1trv h GLN 12 Ca -0.01 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1trv h GLN 12 Cb 0.12 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1trv h GLN 12 CO 0.02 0.24 -0.01 0.93 -0.95 0.00 0.00 178.83 179.06 1trv h GLU 13 N 0.13 0.00 -0.03 1.46 5.08 -1.33 -1.87 114.58 118.01 1trv h GLU 13 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 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 0.01 -0.02 0.00 -1.00 0.00 0.00 179.01 177.99 1trv h ALA 14 N 1.99 0.05 0.00 3.43 0.00 0.17 -2.63 119.26 122.27 1trv h ALA 14 Ca -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1trv h ALA 14 Cb 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1trv h ALA 14 CO 0.00 -0.21 -0.01 -0.07 0.00 0.00 0.00 179.25 178.97 1trv h LEU 15 N -0.34 0.00 -0.27 0.00 3.38 -0.92 -2.30 115.31 114.86 1trv h LEU 15 Ca 0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 1trv h LEU 15 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1trv h LEU 15 CO 0.01 0.01 -0.45 -0.78 0.09 0.00 0.00 178.44 177.31 1trv h ASP 16 N 0.00 0.86 0.95 -0.43 3.58 -1.01 -2.94 116.42 117.44 1trv h ASP 16 Ca -0.00 -0.52 -0.05 0.00 0.42 0.00 0.00 57.03 56.88 1trv h ASP 16 Cb 0.28 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1trv h ASP 16 CO 0.00 1.22 -0.24 0.00 -2.88 0.00 0.00 179.24 177.35 1trv h ALA 17 N 0.67 1.01 -0.41 -0.78 0.00 -1.13 -3.08 119.26 115.53 1trv h ALA 17 Ca 0.02 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 17 Cb 1.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1trv h ALA 17 CO 0.10 0.30 0.07 0.00 0.00 0.00 0.00 179.25 179.72 1trv h ALA 18 N 1.76 0.54 0.00 0.00 0.00 -1.32 -3.47 119.26 116.78 1trv h ALA 18 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1trv h ALA 18 Cb 0.78 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1trv h ALA 18 CO 0.03 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1trv n GLY 19 N -0.50 2.06 0.00 0.00 0.00 -1.17 -3.07 105.19 102.50 1trv n GLY 19 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 5.67 0.02 -4.81 1.61 -0.08 -1.26 -4.44 116.55 113.25 1trv n ASP 20 Ca 0.00 -1.01 -0.30 0.00 -1.51 0.00 0.00 54.79 51.97 1trv n ASP 20 Cb 0.00 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.53 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1trv s LYS 21 N -0.01 2.42 0.85 -0.67 1.02 -1.18 -4.66 119.74 117.52 1trv s LYS 21 Ca 0.00 0.73 -0.11 0.00 0.02 0.00 0.00 55.97 56.61 1trv s LYS 21 Cb 0.00 -1.95 0.11 0.00 -0.52 0.00 0.00 37.83 35.47 1trv s LYS 21 CO 0.00 -1.41 1.14 -1.17 -0.92 0.00 0.00 175.35 172.99 1trv s LEU 22 N -5.67 2.96 -0.29 3.17 0.20 -1.26 -4.47 118.68 113.32 1trv s LEU 22 Ca 0.60 2.13 0.00 0.00 0.69 0.00 0.00 54.13 57.54 1trv s LEU 22 Cb -0.14 -4.56 0.14 0.00 -0.43 0.00 0.00 46.19 41.20 1trv s LEU 22 CO 0.54 -2.72 0.32 -0.69 -0.29 0.00 0.00 176.35 173.51 1trv s VAL 23 N -2.62 -0.45 0.56 1.68 1.01 -0.35 -2.95 120.40 117.28 1trv s VAL 23 Ca 0.66 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 1trv s VAL 23 Cb -0.22 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1trv s VAL 23 CO 0.56 -0.44 0.82 -0.69 0.00 0.00 0.00 175.10 175.35 1trv s VAL 24 N 2.35 3.31 -0.00 2.92 1.01 -0.43 -0.24 120.40 129.31 1trv s VAL 24 Ca 0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 1trv s VAL 24 Cb -0.14 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.96 1trv s VAL 24 CO -0.31 -0.24 0.07 -0.69 0.00 0.00 0.00 175.10 173.93 1trv s VAL 25 N -2.84 0.06 -0.28 2.92 1.01 -0.66 -2.07 120.40 118.54 1trv s VAL 25 Ca 0.54 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1trv s VAL 25 Cb -0.10 -0.28 0.05 0.00 0.00 0.00 0.00 36.38 36.05 1trv s VAL 25 CO 0.41 -0.29 -0.05 -0.62 0.00 0.00 0.00 175.10 174.55 1trv s ASP 26 N -0.92 4.66 -0.56 3.32 2.15 -1.03 -2.90 116.67 121.40 1trv s ASP 26 Ca -0.10 -1.32 -0.16 0.00 0.43 0.00 0.00 52.55 51.41 1trv s ASP 26 Cb -0.06 -1.63 0.13 0.00 -0.30 0.00 0.00 42.92 41.06 1trv s ASP 26 CO 0.00 -0.22 0.51 -0.36 -0.17 0.00 0.00 175.17 174.93 1trv s PHE 27 N 1.18 3.28 0.00 -5.34 0.40 0.04 -1.08 117.98 116.46 1trv s PHE 27 Ca -0.07 -1.33 0.00 0.00 -0.60 0.00 0.00 56.93 54.93 1trv s PHE 27 Cb -0.20 -3.80 0.00 0.00 0.51 0.00 0.00 43.02 39.53 1trv s PHE 27 CO -0.03 -1.02 0.00 0.43 0.70 0.00 0.00 175.22 175.30 1trv n SER 28 N 5.18 1.98 -3.70 1.36 7.64 -1.15 -1.68 113.62 123.25 1trv n SER 28 Ca -0.13 -0.81 -0.25 0.00 1.01 0.00 0.00 58.87 58.69 1trv n SER 28 Cb 0.40 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.43 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 -2.00 0.64 -0.03 -0.43 0.00 -1.17 -3.01 121.76 115.76 1trv s ALA 29 Ca 0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 51.96 51.40 1trv s ALA 29 Cb 0.00 -0.94 -0.20 0.00 0.00 0.00 0.00 23.12 21.98 1trv s ALA 29 CO 0.00 -0.88 1.22 0.00 0.00 0.00 0.00 175.76 176.11 1trv h THR 30 N 6.43 1.38 -0.29 0.00 1.03 -1.96 -2.80 112.91 116.69 1trv h THR 30 Ca -0.16 -1.20 0.08 0.00 -0.01 0.00 0.00 66.41 65.13 1trv h THR 30 Cb 1.13 2.18 -0.01 0.00 -1.07 0.00 0.00 68.15 70.38 1trv h THR 30 CO 0.27 0.31 0.49 4.11 -0.01 0.00 0.00 175.52 180.69 1trv h TRP 31 N -0.54 0.00 -3.59 0.00 5.08 -1.96 -3.40 115.95 111.55 1trv h TRP 31 Ca -0.00 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.46 1trv h TRP 31 Cb 0.52 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.67 1trv h TRP 31 CO 0.10 0.00 0.03 0.00 -1.28 0.00 0.00 178.44 177.29 1trv n GLY 33 N -0.76 -0.67 0.21 0.00 0.00 -1.26 -4.34 105.19 98.37 1trv n GLY 33 Ca 0.02 -0.07 -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 -0.39 0.33 -1.66 1.61 0.11 -1.96 -0.60 132.00 129.44 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 0.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1trv h PRO 34 CO 0.00 0.22 0.00 0.00 -0.21 0.00 0.00 178.00 178.01 1trv n LYS 36 N 1.16 0.81 0.00 0.00 4.81 -0.24 -3.05 118.16 121.64 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 0.35 -0.49 0.50 0.00 0.02 0.00 0.00 35.03 35.42 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 -0.43 0.49 -0.21 1.64 0.00 -1.11 -1.94 117.12 115.56 1trv n MET 37 Ca 0.00 0.03 0.12 0.00 0.00 0.00 0.00 57.70 57.85 1trv n MET 37 Cb 0.00 -1.50 0.24 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 -1.06 0.55 0.09 3.17 5.41 -1.26 -4.33 119.36 121.93 1trv n ILE 38 Ca 0.12 -0.76 -0.04 0.00 1.00 0.00 0.00 62.75 63.08 1trv n ILE 38 Cb 0.08 0.88 -0.07 0.00 -0.71 0.00 0.00 39.64 39.81 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 4.33 0.00 0.00 0.38 2.10 -1.74 -3.16 116.57 118.48 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 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1trv h LYS 39 CO 0.00 0.82 0.00 -0.35 -2.00 0.00 0.00 179.45 177.92 1trv n PRO 40 N -3.30 0.11 -0.06 0.07 -0.05 -1.26 -1.31 135.00 129.19 1trv n PRO 40 Ca 0.00 0.37 -0.04 0.00 -0.05 0.00 0.00 63.50 63.79 1trv n PRO 40 Cb 0.87 -1.72 -0.02 0.00 -0.05 0.00 0.00 33.50 32.59 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 -0.25 0.54 -1.00 -1.84 -3.13 116.94 111.27 1trv h PHE 41 Ca 0.00 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.79 1trv h PHE 41 Cb 0.28 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 1trv h PHE 41 CO 0.00 0.08 0.15 0.35 -1.61 0.00 0.00 178.31 177.28 1trv h PHE 42 N -1.00 0.29 0.00 -0.55 3.57 -1.56 -2.16 116.94 115.52 1trv h PHE 42 Ca -0.01 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1trv h PHE 42 Cb 0.36 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1trv h PHE 42 CO -0.11 0.18 -0.09 1.25 -2.23 0.00 0.00 178.31 177.31 1trv h HIS 43 N 0.31 0.00 -0.07 0.41 2.76 -1.40 -1.57 115.15 115.60 1trv h HIS 43 Ca 0.09 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.17 1trv h HIS 43 Cb -0.02 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1trv h HIS 43 CO -0.07 0.09 -0.39 0.66 -1.30 0.00 0.00 177.93 176.92 1trv h SER 44 N 0.00 0.15 -0.79 3.26 4.64 -1.33 -2.70 113.55 116.77 1trv h SER 44 Ca -0.00 -0.06 0.06 0.00 -0.47 0.00 0.00 61.79 61.32 1trv h SER 44 Cb 0.17 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.16 1trv h SER 44 CO 0.01 0.53 0.52 -0.07 -0.87 0.00 0.00 176.83 176.95 1trv h LEU 45 N 0.12 0.77 -1.29 5.97 3.38 -1.12 -1.31 115.31 121.82 1trv h LEU 45 Ca 0.01 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.22 1trv h LEU 45 Cb 0.75 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 1trv h LEU 45 CO 0.06 0.50 0.64 0.28 0.09 0.00 0.00 178.44 180.00 1trv h SER 46 N 0.87 0.53 0.85 -0.43 0.02 -1.55 0.62 113.55 114.47 1trv h SER 46 Ca 0.34 0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 61.26 1trv h SER 46 Cb 0.21 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1trv h SER 46 CO -0.12 0.14 -1.22 -0.33 -1.14 0.00 0.00 176.83 174.16 1trv h GLU 47 N 0.48 0.00 0.00 3.45 5.08 -1.41 -3.31 114.58 118.87 1trv h GLU 47 Ca 0.57 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.88 1trv h GLU 47 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1trv h GLU 47 CO -0.31 0.21 -0.65 -0.22 -1.00 0.00 0.00 179.01 177.04 1trv h LYS 48 N 0.00 0.00 -2.18 2.33 3.64 -0.28 -3.39 116.57 116.69 1trv h LYS 48 Ca -0.10 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.69 1trv h LYS 48 Cb 1.39 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.81 1trv h LYS 48 CO 0.03 0.17 -0.88 0.66 -2.27 0.00 0.00 179.45 177.17 1trv n TYR 49 N -2.98 1.19 0.80 1.91 4.01 0.19 -4.91 117.16 117.38 1trv n TYR 49 Ca -0.00 -3.79 0.04 0.00 -0.16 0.00 0.00 57.90 53.99 1trv n TYR 49 Cb 0.64 -0.37 0.26 0.00 -0.31 0.00 0.00 39.34 39.56 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 1.41 0.00 -1.35 7.72 3.41 -1.25 -1.67 113.62 121.90 1trv n SER 50 Ca 0.25 -0.52 0.12 0.00 -0.26 0.00 0.00 58.87 58.45 1trv n SER 50 Cb 0.47 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.74 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 -0.84 3.91 -4.15 4.04 5.15 -1.26 -4.92 115.26 117.19 1trv n ASN 51 Ca 0.07 -2.00 -0.15 0.00 -0.60 0.00 0.00 54.58 51.89 1trv n ASN 51 Cb 0.03 -0.49 -0.11 0.00 -0.53 0.00 0.00 39.78 38.68 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 -1.03 0.92 -0.28 3.44 1.01 -0.67 -4.74 120.40 119.06 1trv s VAL 52 Ca 0.49 -1.42 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 1trv s VAL 52 Cb 0.25 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1trv s VAL 52 CO 0.33 -0.41 0.17 -0.63 0.00 0.00 0.00 175.10 174.56 1trv s ILE 53 N -1.83 5.06 -0.14 2.22 -1.09 -1.15 -4.90 121.20 119.36 1trv s ILE 53 Ca -0.00 0.02 -0.02 0.00 -2.23 0.00 0.00 60.65 58.42 1trv s ILE 53 Cb -0.07 -3.43 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1trv s ILE 53 CO 0.01 0.23 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.52 1trv s PHE 54 N 1.72 2.94 0.45 3.97 0.08 -1.26 -1.31 117.98 124.58 1trv s PHE 54 Ca 0.07 -0.37 0.07 0.00 0.12 0.00 0.00 56.93 56.82 1trv s PHE 54 Cb -0.16 -1.89 -0.01 0.00 -0.57 0.00 0.00 43.02 40.39 1trv s PHE 54 CO 0.09 -0.05 0.35 -0.51 -0.10 0.00 0.00 175.22 175.01 1trv s LEU 55 N 0.21 3.14 -0.22 -0.37 1.02 -0.88 -3.22 118.68 118.36 1trv s LEU 55 Ca -0.04 -0.96 -0.04 0.00 0.02 0.00 0.00 54.13 53.11 1trv s LEU 55 Cb -0.14 -1.68 0.10 0.00 0.02 0.00 0.00 46.19 44.49 1trv s LEU 55 CO 0.04 -0.77 0.20 -0.70 0.02 0.00 0.00 176.35 175.14 1trv s GLU 56 N -4.14 0.19 0.06 1.70 2.12 -0.56 -2.45 118.70 115.63 1trv s GLU 56 Ca 0.43 0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.79 1trv s GLU 56 Cb -0.01 -1.20 -0.04 0.00 0.26 0.00 0.00 34.13 33.14 1trv s GLU 56 CO 0.25 -0.77 0.06 0.08 -0.54 0.00 0.00 175.26 174.34 1trv s VAL 57 N 2.28 4.45 -0.18 3.70 1.01 -0.24 -1.38 120.40 130.04 1trv s VAL 57 Ca 0.07 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1trv s VAL 57 Cb -0.15 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1trv s VAL 57 CO -0.18 0.18 -0.14 -0.62 0.00 0.00 0.00 175.10 174.33 1trv s ASP 58 N -2.21 3.67 0.00 3.32 2.15 -1.26 -2.95 116.67 119.38 1trv s ASP 58 Ca 0.27 -0.50 0.08 0.00 0.43 0.00 0.00 52.55 52.83 1trv s ASP 58 Cb -0.12 -1.58 0.43 0.00 -0.30 0.00 0.00 42.92 41.35 1trv s ASP 58 CO 0.19 0.04 1.11 1.33 -0.17 0.00 0.00 175.17 177.67 1trv n VAL 59 N 4.39 0.71 -0.12 1.11 0.24 -1.16 0.37 118.33 123.86 1trv n VAL 59 Ca -0.19 0.18 -0.23 0.00 -2.04 0.00 0.00 64.34 62.05 1trv n VAL 59 Cb 0.51 -1.04 -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 -1.24 1.88 0.03 -1.34 9.92 -1.26 -3.67 116.55 120.87 1trv n ASP 60 Ca 0.04 0.17 -0.05 0.00 -0.53 0.00 0.00 54.79 54.43 1trv n ASP 60 Cb 0.06 -0.62 -0.10 0.00 -0.64 0.00 0.00 41.12 39.82 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 -0.62 0.00 -0.62 -2.24 3.58 -1.87 -3.35 116.42 111.31 1trv h ASP 61 Ca -0.59 0.00 -0.44 0.00 0.42 0.00 0.00 57.03 56.41 1trv h ASP 61 Cb 1.63 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 42.36 1trv h ASP 61 CO -0.29 0.83 -0.55 0.00 -2.88 0.00 0.00 179.24 176.35 1trv n ALA 62 N -2.43 4.87 0.19 -0.78 0.00 0.16 -4.60 120.51 117.92 1trv n ALA 62 Ca -0.09 -3.63 0.10 0.00 0.00 0.00 0.00 53.44 49.81 1trv n ALA 62 Cb 0.94 -0.49 0.52 0.00 0.00 0.00 0.00 19.45 20.42 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 1.87 0.00 -0.28 0.00 -0.00 -1.62 0.31 115.11 115.40 1trv h GLN 63 Ca 0.32 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.80 1trv h GLN 63 Cb 1.40 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.87 1trv h GLN 63 CO 0.68 0.00 -0.52 0.38 -0.00 0.00 0.00 178.83 179.37 1trv h ASP 64 N 0.00 0.89 0.88 0.06 2.03 -1.90 -2.65 116.42 115.74 1trv h ASP 64 Ca 0.00 -0.46 -0.21 0.00 -0.73 0.00 0.00 57.03 55.62 1trv h ASP 64 Cb 0.39 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 38.61 1trv h ASP 64 CO 0.00 1.24 -1.00 0.58 -1.03 0.00 0.00 179.24 179.03 1trv h VAL 65 N 0.62 1.65 -0.66 4.15 2.07 -1.26 -3.24 116.25 119.58 1trv h VAL 65 Ca 0.02 -3.22 -0.03 0.00 0.82 0.00 0.00 66.70 64.29 1trv h VAL 65 Cb 1.11 2.79 -0.03 0.00 -1.52 0.00 0.00 31.29 33.64 1trv h VAL 65 CO 0.11 0.92 0.32 0.00 0.02 0.00 0.00 177.57 178.94 1trv h ALA 66 N 0.96 0.86 0.00 1.67 0.00 -1.43 -1.34 119.26 119.97 1trv h ALA 66 Ca -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1trv h ALA 66 Cb 1.74 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1trv h ALA 66 CO 0.14 0.43 -0.07 1.03 0.00 0.00 0.00 179.25 180.77 1trv h SER 67 N 0.92 0.00 0.48 0.00 0.87 -1.51 -0.08 113.55 114.23 1trv h SER 67 Ca 0.23 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1trv h SER 67 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1trv h SER 67 CO -0.03 0.07 -0.23 -0.08 -0.53 0.00 0.00 176.83 176.04 1trv h GLU 68 N 0.00 -0.62 -0.03 2.24 4.81 -1.27 -2.71 114.58 117.00 1trv h GLU 68 Ca -0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1trv h GLU 68 Cb 0.32 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1trv h GLU 68 CO 0.01 -0.32 0.00 0.00 -0.73 0.00 0.00 179.01 177.97 1trv n ALA 69 N -2.53 2.61 -3.52 2.92 0.00 -1.12 -4.92 120.51 113.94 1trv n ALA 69 Ca -0.11 -0.25 -0.22 0.00 0.00 0.00 0.00 53.44 52.87 1trv n ALA 69 Cb 0.31 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.53 -1.38 -2.79 0.00 4.71 -0.09 -4.87 120.64 115.69 1trv n GLU 70 Ca 0.17 0.78 -0.43 0.00 -0.01 0.00 0.00 57.16 57.68 1trv n GLU 70 Cb 0.16 -4.31 -0.04 0.00 -1.01 0.00 0.00 31.44 26.24 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1trv s VAL 71 N -3.26 4.35 -0.41 2.62 1.01 -0.92 -4.84 120.40 118.95 1trv s VAL 71 Ca 0.28 0.51 0.15 0.00 0.00 0.00 0.00 61.98 62.92 1trv s VAL 71 Cb -0.09 -4.54 0.50 0.00 0.00 0.00 0.00 36.38 32.25 1trv s VAL 71 CO 0.83 -1.07 1.41 0.29 0.00 0.00 0.00 175.10 176.56 1trv n LYS 72 N 7.53 3.07 -3.20 2.72 5.02 -1.26 -4.87 118.16 127.17 1trv n LYS 72 Ca 0.04 -2.67 0.01 0.00 -2.02 0.00 0.00 58.31 53.67 1trv n LYS 72 Cb 0.48 -1.73 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.99 0.14 7.82 0.00 -1.26 -5.16 121.76 118.98 1trv s ALA 73 Ca 0.39 1.42 0.03 0.00 0.00 0.00 0.00 51.96 53.80 1trv s ALA 73 Cb 0.29 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 1trv s ALA 73 CO 0.12 -1.44 0.19 0.95 0.00 0.00 0.00 175.76 175.58 1trv s THR 74 N 2.77 4.87 0.75 0.00 -4.23 -1.26 -4.20 115.64 114.35 1trv s THR 74 Ca 0.17 -0.83 -0.11 0.00 -1.18 0.00 0.00 61.69 59.73 1trv s THR 74 Cb -0.14 -3.47 0.04 0.00 1.34 0.00 0.00 72.50 70.27 1trv s THR 74 CO -0.22 -0.05 1.09 -2.16 -0.54 0.00 0.00 174.62 172.75 1trv s PRO 75 N -2.99 2.48 -0.01 3.99 0.04 -1.26 -4.91 135.00 132.32 1trv s PRO 75 Ca 0.32 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.87 1trv s PRO 75 Cb -0.11 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.48 1trv s PRO 75 CO 0.25 -1.34 0.25 0.99 0.04 0.00 0.00 177.00 177.19 1trv s THR 76 N -3.20 0.06 0.04 1.26 2.01 -0.68 -3.23 115.64 111.91 1trv s THR 76 Ca 0.59 -0.51 0.06 0.00 0.31 0.00 0.00 61.69 62.14 1trv s THR 76 Cb -0.13 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 1trv s THR 76 CO 0.54 -0.28 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.65 1trv s PHE 77 N -1.25 1.53 0.04 4.92 0.40 -0.93 -0.78 117.98 121.90 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 -0.91 -0.02 0.00 0.51 0.00 0.00 43.02 42.54 1trv s PHE 77 CO 0.03 0.07 -0.14 -0.65 0.70 0.00 0.00 175.22 175.23 1trv s GLN 78 N -1.15 0.95 -0.34 0.44 -0.21 -1.14 -2.15 119.66 116.05 1trv s GLN 78 Ca 0.05 -0.74 -0.07 0.00 0.02 0.00 0.00 55.36 54.62 1trv s GLN 78 Cb -0.08 -0.95 0.04 0.00 1.00 0.00 0.00 33.01 33.01 1trv s GLN 78 CO 0.02 0.24 0.11 -0.06 -2.12 0.00 0.00 175.29 173.47 1trv s PHE 79 N -0.81 3.25 0.13 0.91 0.40 0.11 -1.66 117.98 120.31 1trv s PHE 79 Ca 0.02 -1.38 0.06 0.00 -0.60 0.00 0.00 56.93 55.03 1trv s PHE 79 Cb -0.08 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1trv s PHE 79 CO 0.01 -0.72 -0.01 -0.06 0.70 0.00 0.00 175.22 175.14 1trv s PHE 80 N 1.41 2.89 -0.18 0.36 0.08 0.66 -2.13 117.98 121.08 1trv s PHE 80 Ca -0.01 -0.10 -0.10 0.00 0.12 0.00 0.00 56.93 56.84 1trv s PHE 80 Cb -0.19 -1.45 0.06 0.00 -0.57 0.00 0.00 43.02 40.87 1trv s PHE 80 CO 0.03 0.49 0.43 0.21 -0.10 0.00 0.00 175.22 176.28 1trv s LYS 81 N -2.62 0.42 -1.17 0.44 2.20 -0.78 -1.21 119.74 117.02 1trv s LYS 81 Ca 0.26 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.67 1trv s LYS 81 Cb -0.10 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 1trv s LYS 81 CO 0.18 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.65 1trv n LYS 82 N 4.14 -1.37 -1.77 4.03 5.02 -1.26 0.90 118.16 127.84 1trv n LYS 82 Ca -0.22 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1trv n LYS 82 Cb 0.56 -4.86 0.00 0.00 -0.02 0.00 0.00 35.03 30.71 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 -0.13 0.52 2.87 0.72 0.00 -1.26 -5.05 105.19 102.85 1trv n GLY 83 Ca -0.11 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.63 0.98 0.04 1.61 -1.52 0.26 -5.11 119.66 112.29 1trv s GLN 84 Ca 0.00 -0.09 -0.30 0.00 -1.95 0.00 0.00 55.36 53.01 1trv s GLN 84 Cb 0.00 -1.09 -0.08 0.00 -0.22 0.00 0.00 33.01 31.62 1trv s GLN 84 CO 0.00 -0.19 1.62 0.21 -0.25 0.00 0.00 175.29 176.68 1trv s LYS 85 N 1.42 4.21 -0.00 2.91 2.20 -1.26 -1.86 119.74 127.36 1trv s LYS 85 Ca -0.03 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 1trv s LYS 85 Cb -0.13 -3.65 -0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1trv s LYS 85 CO -0.03 -0.73 0.00 1.33 -0.36 0.00 0.00 175.35 175.56 1trv n VAL 86 N 4.81 0.00 -3.52 4.02 0.24 -0.90 -4.97 118.33 118.01 1trv n VAL 86 Ca 0.16 -0.13 -0.09 0.00 -2.04 0.00 0.00 64.34 62.23 1trv n VAL 86 Cb 0.41 0.63 -0.03 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 -1.74 -0.43 -0.10 7.63 0.00 -1.19 -5.03 107.32 106.47 1trv s GLY 87 Ca -0.00 1.25 -0.32 0.00 0.00 0.00 0.00 44.72 45.65 1trv s GLY 87 CO 0.00 0.51 1.09 -1.83 0.00 0.00 0.00 173.10 172.87 1trv s GLU 88 N -2.61 0.52 -0.07 2.90 1.03 -1.26 0.06 118.70 119.26 1trv s GLU 88 Ca 0.03 -0.20 -0.31 0.00 0.03 0.00 0.00 54.97 54.51 1trv s GLU 88 Cb -0.01 0.23 0.12 0.00 -0.80 0.00 0.00 34.13 33.67 1trv s GLU 88 CO -0.06 -0.23 1.01 -0.59 -1.33 0.00 0.00 175.26 174.06 1trv s PHE 89 N -2.70 -0.26 0.01 4.83 -0.12 -0.91 -5.00 117.98 113.83 1trv s PHE 89 Ca 0.08 0.15 0.05 0.00 -0.05 0.00 0.00 56.93 57.17 1trv s PHE 89 Cb -0.01 0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 42.90 1trv s PHE 89 CO -0.06 -0.41 -0.17 -1.54 -0.05 0.00 0.00 175.22 172.99 1trv s SER 90 N -2.37 1.98 0.00 1.98 1.04 -1.26 -2.20 113.70 112.87 1trv s SER 90 Ca 0.07 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.13 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 0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1trv n GLY 91 N 2.38 4.21 1.59 7.32 0.00 -1.20 -4.96 105.19 114.54 1trv n GLY 91 Ca -0.16 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.29 4.40 -3.36 4.61 0.00 -1.26 -4.70 120.51 118.92 1trv n ALA 92 Ca 0.00 -0.34 -0.45 0.00 0.00 0.00 0.00 53.44 52.65 1trv n ALA 92 Cb 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 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 1.94 7.04 0.45 0.00 3.84 -1.26 -4.87 114.94 122.09 1trv s ASN 93 Ca 0.11 -3.29 0.12 0.00 0.21 0.00 0.00 52.86 50.01 1trv s ASN 93 Cb 0.06 -2.19 1.04 0.00 -0.55 0.00 0.00 41.25 39.60 1trv s ASN 93 CO -0.00 -0.38 2.07 0.07 -2.79 0.00 0.00 177.10 176.07 1trv h LYS 94 N 7.02 0.33 -0.01 0.43 2.10 -1.98 -0.47 116.57 123.99 1trv h LYS 94 Ca 0.15 -0.02 -0.08 0.00 -2.00 0.00 0.00 60.65 58.70 1trv h LYS 94 Cb 0.93 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.17 1trv h LYS 94 CO 0.91 0.22 -0.37 0.93 -2.00 0.00 0.00 179.45 179.14 1trv h GLU 95 N 0.34 0.01 -0.40 0.07 3.07 -1.99 -2.55 114.58 113.13 1trv h GLU 95 Ca 0.13 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.96 1trv h GLU 95 Cb 0.11 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1trv h GLU 95 CO -0.03 0.38 0.12 -0.22 -1.40 0.00 0.00 179.01 177.86 1trv h LYS 96 N 0.01 0.58 -0.94 2.33 3.64 -1.48 -2.01 116.57 118.70 1trv h LYS 96 Ca -0.00 -0.09 0.22 0.00 -1.27 0.00 0.00 60.65 59.51 1trv h LYS 96 Cb 0.65 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.30 1trv h LYS 96 CO 0.05 0.52 0.62 -0.07 -2.27 0.00 0.00 179.45 178.30 1trv h LEU 97 N 0.57 0.39 0.51 5.20 3.38 -1.45 0.17 115.31 124.09 1trv h LEU 97 Ca 0.14 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1trv h LEU 97 Cb 0.18 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1trv h LEU 97 CO -0.01 0.14 -0.25 -0.08 0.09 0.00 0.00 178.44 178.33 1trv h GLU 98 N 0.38 -0.66 -0.20 1.13 4.81 -1.50 0.14 114.58 118.68 1trv h GLU 98 Ca 0.49 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.83 1trv h GLU 98 Cb 1.29 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 1trv h GLU 98 CO -0.19 -0.44 0.17 0.00 -0.73 0.00 0.00 179.01 177.82 1trv h ALA 99 N -1.63 2.04 -0.13 2.92 0.00 -1.50 -1.74 119.26 119.22 1trv h ALA 99 Ca -0.07 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1trv h ALA 99 Cb 0.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1trv h ALA 99 CO 0.12 -0.27 -0.28 1.15 0.00 0.00 0.00 179.25 179.96 1trv h THR 100 N 0.00 1.37 -0.59 0.00 2.02 -0.39 -2.97 112.91 112.35 1trv h THR 100 Ca 0.10 -1.56 0.03 0.00 0.77 0.00 0.00 66.41 65.74 1trv h THR 100 Cb 0.43 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 1trv h THR 100 CO -0.00 0.46 0.39 0.40 0.37 0.00 0.00 175.52 177.14 1trv h ILE 101 N 0.01 1.08 0.00 3.11 2.04 0.19 0.45 117.51 124.39 1trv h ILE 101 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1trv h ILE 101 Cb 0.88 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1trv h ILE 101 CO 0.06 0.13 0.00 -3.20 0.00 0.00 0.00 178.15 175.14 1trv n ASN 102 N -4.46 0.00 -0.04 1.72 5.15 -1.00 -2.00 115.26 114.63 1trv n ASN 102 Ca 0.07 -0.72 -0.08 0.00 -0.60 0.00 0.00 54.58 53.25 1trv n ASN 102 Cb 0.13 -0.04 -0.07 0.00 -0.53 0.00 0.00 39.78 39.27 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 -0.04 -0.45 1.20 4.81 0.07 -3.35 114.58 116.82 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 0.03 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1trv h GLU 103 CO 0.00 0.47 0.00 1.28 -0.73 0.00 0.00 179.01 180.03 1trv n LEU 104 N -4.73 4.76 0.00 1.64 4.77 -1.22 -5.13 117.00 117.09 1trv n LEU 104 Ca -0.06 -2.88 0.01 0.00 -0.03 0.00 0.00 56.01 53.06 1trv n LEU 104 Cb 0.26 -0.60 0.09 0.00 -2.33 0.00 0.00 43.42 40.84 1trv n LEU 104 CO 0.19 0.67 0.33 0.55 -1.33 0.00 0.00 177.39 177.81