#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1def n VAL 2 N 0.00 -1.04 -2.44 0.44 0.31 -1.26 -4.75 118.33 109.59 1def n VAL 2 Ca 0.00 0.43 -0.43 0.00 -0.01 0.00 0.00 64.34 64.33 1def n VAL 2 Cb 0.00 -0.67 -0.02 0.00 -0.91 0.00 0.00 33.84 32.24 1def n VAL 2 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1def s LEU 3 N -3.34 3.70 -1.12 7.52 2.34 -1.26 -4.90 118.68 121.62 1def s LEU 3 Ca 0.00 0.87 -0.07 0.00 0.06 0.00 0.00 54.13 54.99 1def s LEU 3 Cb 0.00 -3.54 0.28 0.00 -0.56 0.00 0.00 46.19 42.37 1def s LEU 3 CO 0.00 -1.26 1.41 0.00 -1.06 0.00 0.00 176.35 175.44 1def n GLN 4 N 7.74 4.05 -1.77 1.48 6.02 -1.26 -4.99 117.38 128.66 1def n GLN 4 Ca 0.15 -4.38 -0.30 0.00 -0.01 0.00 0.00 57.00 52.45 1def n GLN 4 Cb 0.48 -2.60 0.05 0.00 1.02 0.00 0.00 30.24 29.19 1def n GLN 4 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1def s VAL 5 N -1.77 3.63 0.29 5.09 1.01 -1.26 -5.05 120.40 122.33 1def s VAL 5 Ca 0.33 0.53 0.12 0.00 0.00 0.00 0.00 61.98 62.95 1def s VAL 5 Cb 0.00 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1def s VAL 5 CO 0.03 -0.69 -0.18 -0.76 0.00 0.00 0.00 175.10 173.51 1def s LEU 6 N -5.46 2.64 0.00 3.92 1.02 -1.26 -5.02 118.68 114.52 1def s LEU 6 Ca 0.58 -1.03 0.00 0.00 0.02 0.00 0.00 54.13 53.70 1def s LEU 6 Cb -0.12 -1.12 0.00 0.00 0.02 0.00 0.00 46.19 44.97 1def s LEU 6 CO 0.53 0.01 0.00 1.41 0.02 0.00 0.00 176.35 178.32 1def n HIS 7 N -0.65 0.00 0.00 0.29 8.25 -1.26 -4.37 115.22 117.48 1def n HIS 7 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1def n HIS 7 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 1def n HIS 7 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1def n ILE 8 N 0.00 0.00 -0.82 1.59 -0.00 -1.26 -0.65 119.36 118.22 1def n ILE 8 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.66 1def n ILE 8 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 39.64 39.51 1def n ILE 8 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1def n PRO 9 N 0.00 1.65 -3.11 6.28 -0.04 -1.26 -4.85 135.00 133.67 1def n PRO 9 Ca 0.00 -0.77 -0.10 0.00 -0.04 0.00 0.00 63.50 62.59 1def n PRO 9 Cb 0.00 -1.84 -0.04 0.00 -0.04 0.00 0.00 33.50 31.59 1def n PRO 9 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1def n ASP 10 N 2.45 -0.18 -0.30 3.54 2.03 0.18 -5.07 116.55 119.21 1def n ASP 10 Ca 0.33 -2.08 0.03 0.00 0.52 0.00 0.00 54.79 53.60 1def n ASP 10 Cb 0.76 0.79 0.04 0.00 -0.72 0.00 0.00 41.12 41.99 1def n ASP 10 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1def n GLU 11 N -0.33 0.59 -0.20 -0.67 0.28 -1.22 -4.76 120.64 114.33 1def n GLU 11 Ca 0.03 -1.11 0.14 0.00 -0.16 0.00 0.00 57.16 56.06 1def n GLU 11 Cb 0.30 -1.14 0.26 0.00 1.43 0.00 0.00 31.44 32.29 1def n GLU 11 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1def n ARG 12 N 0.32 -0.04 -3.44 3.44 0.00 -0.91 -4.69 116.66 111.35 1def n ARG 12 Ca 0.05 0.85 -0.16 0.00 -0.00 0.00 0.00 57.85 58.59 1def n ARG 12 Cb 0.21 -1.44 -0.05 0.00 -0.00 0.00 0.00 32.46 31.19 1def n ARG 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1def n LEU 13 N -4.55 -0.44 -0.50 2.89 4.77 -1.26 -2.48 117.00 115.42 1def n LEU 13 Ca 0.18 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 1def n LEU 13 Cb 0.60 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1def n LEU 13 CO -0.02 0.25 0.00 0.54 -1.33 0.00 0.00 177.39 176.83 1def n ARG 14 N -2.80 0.00 -3.03 3.23 1.74 -1.26 -5.08 116.66 109.47 1def n ARG 14 Ca -0.16 0.16 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1def n ARG 14 Cb 0.34 -0.50 -0.06 0.00 -1.02 0.00 0.00 32.46 31.23 1def n ARG 14 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1def s LYS 15 N -2.33 4.48 0.24 5.56 -0.14 -1.04 -5.05 119.74 121.47 1def s LYS 15 Ca 0.00 1.05 0.02 0.00 -1.36 0.00 0.00 55.97 55.68 1def s LYS 15 Cb 0.00 -3.30 0.02 0.00 -1.68 0.00 0.00 37.83 32.87 1def s LYS 15 CO 0.00 0.45 0.18 0.28 -0.76 0.00 0.00 175.35 175.50 1def n VAL 16 N 2.16 0.00 -4.11 3.17 0.31 -1.26 -4.63 118.33 113.96 1def n VAL 16 Ca -0.05 -0.97 -0.32 0.00 -0.01 0.00 0.00 64.34 62.99 1def n VAL 16 Cb 0.50 -0.29 -0.07 0.00 -0.91 0.00 0.00 33.84 33.06 1def n VAL 16 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1def s ALA 17 N -2.35 3.51 -0.49 3.52 0.00 -1.26 -4.78 121.76 119.92 1def s ALA 17 Ca 0.14 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1def s ALA 17 Cb -0.01 -1.47 0.13 0.00 0.00 0.00 0.00 23.12 21.77 1def s ALA 17 CO 0.09 0.71 0.25 0.21 0.00 0.00 0.00 175.76 177.01 1def s LYS 18 N -1.99 2.01 0.14 0.00 2.20 -1.25 -4.97 119.74 115.87 1def s LYS 18 Ca 0.25 -2.31 -0.03 0.00 -0.36 0.00 0.00 55.97 53.52 1def s LYS 18 Cb -0.12 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 1def s LYS 18 CO 0.17 -1.08 -0.20 -2.30 -0.36 0.00 0.00 175.35 171.58 1def n PRO 19 N 3.70 0.00 -3.65 4.03 -0.02 -1.26 -3.54 135.00 134.25 1def n PRO 19 Ca 0.04 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.15 1def n PRO 19 Cb 0.37 -0.15 -0.12 0.00 -0.02 0.00 0.00 33.50 33.59 1def n PRO 19 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1def s VAL 20 N -0.30 4.82 0.06 -1.45 1.01 -1.26 -4.55 120.40 118.73 1def s VAL 20 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1def s VAL 20 Cb 0.01 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1def s VAL 20 CO 0.08 0.22 0.00 1.21 0.00 0.00 0.00 175.10 176.61 1def n GLU 21 N 5.00 0.00 -3.54 2.72 0.00 -1.26 -4.56 120.64 118.99 1def n GLU 21 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 56.84 1def n GLU 21 Cb 0.51 -0.40 -0.04 0.00 0.00 0.00 0.00 31.44 31.51 1def n GLU 21 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1def n GLU 22 N -3.14 0.90 -4.37 5.31 -0.58 -1.26 -4.94 120.64 112.57 1def n GLU 22 Ca 0.00 -2.18 -0.22 0.00 -0.42 0.00 0.00 57.16 54.34 1def n GLU 22 Cb 0.24 0.97 -0.11 0.00 -0.57 0.00 0.00 31.44 31.97 1def n GLU 22 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1def s VAL 23 N -2.36 1.96 0.00 2.62 1.01 -1.26 -5.01 120.40 117.35 1def s VAL 23 Ca 0.08 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 60.00 1def s VAL 23 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1def s VAL 23 CO 0.06 -0.37 0.00 -0.46 0.00 0.00 0.00 175.10 174.33 1def n ASN 24 N 0.01 0.00 -0.11 3.32 0.23 -1.26 -5.06 115.26 112.39 1def n ASN 24 Ca -0.11 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.76 1def n ASN 24 Cb 0.58 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.21 1def n ASN 24 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1def n ALA 25 N -3.00 0.90 -0.37 -2.53 0.00 -1.26 -4.34 120.51 109.91 1def n ALA 25 Ca 0.00 -0.79 0.33 0.00 0.00 0.00 0.00 53.44 52.97 1def n ALA 25 Cb 0.00 -0.04 0.66 0.00 0.00 0.00 0.00 19.45 20.06 1def n ALA 25 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1def h GLU 26 N -1.00 0.14 -0.94 0.00 3.07 -2.01 -1.28 114.58 112.56 1def h GLU 26 Ca -0.31 -0.01 0.29 0.00 -0.50 0.00 0.00 59.36 58.83 1def h GLU 26 Cb 1.19 -0.03 -0.16 0.00 -0.84 0.00 0.00 28.75 28.91 1def h GLU 26 CO -0.19 0.10 0.33 0.82 -1.40 0.00 0.00 179.01 178.67 1def h ILE 27 N 0.15 0.22 -0.21 3.13 1.08 -1.98 0.47 117.51 120.37 1def h ILE 27 Ca 0.64 -0.06 0.05 0.00 -0.39 0.00 0.00 64.86 65.10 1def h ILE 27 Cb 2.17 0.03 -0.05 0.00 -3.07 0.00 0.00 36.82 35.89 1def h ILE 27 CO -0.17 0.03 -0.12 0.06 -0.69 0.00 0.00 178.15 177.26 1def h GLN 28 N 0.18 -0.10 0.00 2.37 -0.00 -1.49 0.30 115.11 116.37 1def h GLN 28 Ca 0.65 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 59.29 1def h GLN 28 Cb 1.43 0.02 -0.00 0.00 -0.00 0.00 0.00 27.48 28.93 1def h GLN 28 CO -0.70 -0.07 -0.05 -0.09 -0.00 0.00 0.00 178.83 177.92 1def h ARG 29 N -0.11 0.00 -0.43 0.06 2.43 -0.26 0.56 114.38 116.63 1def h ARG 29 Ca 0.12 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 1def h ARG 29 Cb 0.28 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1def h ARG 29 CO -0.27 0.05 -0.15 0.82 -1.51 0.00 0.00 179.97 178.90 1def h ILE 30 N 0.00 1.28 0.16 1.20 2.04 0.39 0.31 117.51 122.89 1def h ILE 30 Ca -0.00 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 1def h ILE 30 Cb 0.09 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1def h ILE 30 CO 0.01 0.43 -0.08 0.58 0.00 0.00 0.00 178.15 179.09 1def h VAL 31 N 0.69 0.00 -0.98 1.67 2.07 0.10 -1.74 116.25 118.05 1def h VAL 31 Ca 0.10 -0.20 0.22 0.00 0.82 0.00 0.00 66.70 67.65 1def h VAL 31 Cb 0.70 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.38 1def h VAL 31 CO 0.05 0.00 0.63 0.44 0.02 0.00 0.00 177.57 178.71 1def h ASP 32 N -0.41 0.53 1.14 0.57 3.32 -0.06 0.80 116.42 122.30 1def h ASP 32 Ca -0.02 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1def h ASP 32 Cb 0.16 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1def h ASP 32 CO 0.04 0.17 -0.90 -0.78 -1.72 0.00 0.00 179.24 176.04 1def h ASP 33 N 0.50 0.00 1.27 6.45 1.82 -0.46 -2.58 116.42 123.41 1def h ASP 33 Ca 0.55 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.19 1def h ASP 33 Cb 1.22 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.23 1def h ASP 33 CO -0.28 0.36 0.00 -0.03 -1.61 0.00 0.00 179.24 177.69 1def h MET 34 N 0.00 0.00 0.27 0.28 4.05 -0.03 0.31 114.93 119.81 1def h MET 34 Ca -0.06 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1def h MET 34 Cb 1.33 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.13 1def h MET 34 CO 0.04 0.00 -0.13 0.74 0.23 0.00 0.00 176.91 177.79 1def h PHE 35 N 0.00 -0.33 -0.44 1.39 0.04 -0.70 1.19 116.94 118.09 1def h PHE 35 Ca 0.00 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.89 1def h PHE 35 Cb 0.63 0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 1def h PHE 35 CO 0.00 -0.04 0.60 0.93 -0.60 0.00 0.00 178.31 179.20 1def h GLU 36 N -1.00 0.00 0.00 1.51 3.07 -0.98 -1.74 114.58 115.43 1def h GLU 36 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1def h GLU 36 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1def h GLU 36 CO 0.06 0.00 -0.12 2.41 -1.40 0.00 0.00 179.01 179.96 1def n THR 37 N -3.42 0.20 -0.38 1.13 -1.04 0.10 -2.63 114.28 108.24 1def n THR 37 Ca 0.08 0.45 0.30 0.00 -2.04 0.00 0.00 64.05 62.85 1def n THR 37 Cb 0.77 -1.61 0.48 0.00 -1.82 0.00 0.00 70.33 68.14 1def n THR 37 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1def n MET 38 N -2.74 -0.01 -0.11 -2.82 0.00 0.41 0.17 117.12 112.02 1def n MET 38 Ca -0.02 0.73 -0.25 0.00 -0.00 0.00 0.00 57.70 58.17 1def n MET 38 Cb 0.06 -1.57 -0.11 0.00 0.00 0.00 0.00 33.22 31.60 1def n MET 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1def n TYR 39 N -3.54 0.42 -0.60 1.12 4.01 -0.66 -4.43 117.16 113.48 1def n TYR 39 Ca 0.27 0.15 -0.06 0.00 -0.16 0.00 0.00 57.90 58.10 1def n TYR 39 Cb 1.15 -1.05 0.23 0.00 -0.31 0.00 0.00 39.34 39.37 1def n TYR 39 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1def n ALA 40 N -3.69 4.23 -1.80 -0.72 0.00 0.26 -4.73 120.51 114.06 1def n ALA 40 Ca -0.45 -1.86 0.00 0.00 0.00 0.00 0.00 53.44 51.13 1def n ALA 40 Cb 0.87 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1def n ALA 40 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1def n GLU 41 N -0.12 0.00 -2.40 0.00 0.00 0.44 -4.87 120.64 113.70 1def n GLU 41 Ca 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.37 1def n GLU 41 Cb 1.20 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 32.61 1def n GLU 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1def n GLU 42 N -0.14 -0.96 0.00 5.31 0.00 -1.26 -4.40 120.64 119.19 1def n GLU 42 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.20 1def n GLU 42 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 29.91 1def n GLU 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1def n GLY 43 N -0.64 -0.49 0.17 -1.84 0.00 -1.26 -5.00 105.19 96.12 1def n GLY 43 Ca 0.04 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 1def n GLY 43 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1def h ILE 44 N 0.00 1.36 0.00 -0.61 3.07 -1.98 -3.50 117.51 115.86 1def h ILE 44 Ca 0.00 -2.02 0.00 0.00 1.55 0.00 0.00 64.86 64.39 1def h ILE 44 Cb 0.00 2.37 0.00 0.00 -0.27 0.00 0.00 36.82 38.92 1def h ILE 44 CO 0.00 0.61 0.00 0.61 -1.05 0.00 0.00 178.15 178.32 1def n GLY 45 N 0.92 1.22 3.17 0.16 0.00 -1.26 -4.98 105.19 104.41 1def n GLY 45 Ca -0.09 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 44.67 1def n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1def n LEU 46 N 0.00 0.00 -2.97 0.99 4.32 -1.26 -4.87 117.00 113.20 1def n LEU 46 Ca 0.00 -2.30 -0.23 0.00 -0.02 0.00 0.00 56.01 53.46 1def n LEU 46 Cb 0.00 -0.11 -0.03 0.00 -1.62 0.00 0.00 43.42 41.66 1def n LEU 46 CO 0.00 -0.56 0.01 0.00 -1.22 0.00 0.00 177.39 175.62 1def n ALA 47 N -2.15 3.75 0.00 -1.18 0.00 -1.26 -4.10 120.51 115.57 1def n ALA 47 Ca -0.14 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.14 1def n ALA 47 Cb 0.51 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1def n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1def n ALA 48 N -0.08 0.00 0.00 0.00 0.00 -1.26 -4.38 120.51 114.79 1def n ALA 48 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1def n ALA 48 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1def n ALA 48 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1def n THR 49 N 0.00 0.00 0.00 0.00 5.66 -1.26 -4.42 114.28 114.26 1def n THR 49 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1def n THR 49 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1def n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1def n GLN 50 N -0.12 0.00 -0.07 1.09 6.02 -1.26 -4.95 117.38 118.09 1def n GLN 50 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1def n GLN 50 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 1def n GLN 50 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1def h VAL 51 N 0.00 0.21 0.00 5.09 2.07 -1.96 -3.33 116.25 118.33 1def h VAL 51 Ca 0.00 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1def h VAL 51 Cb 0.00 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1def h VAL 51 CO 0.00 0.07 0.00 -0.67 0.02 0.00 0.00 177.57 176.99 1def n ASP 52 N -4.60 0.05 -4.29 0.57 2.03 -1.26 -2.14 116.55 106.92 1def n ASP 52 Ca -0.11 0.05 -0.16 0.00 0.52 0.00 0.00 54.79 55.09 1def n ASP 52 Cb 0.32 0.01 -0.10 0.00 -0.72 0.00 0.00 41.12 40.63 1def n ASP 52 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1def s ILE 53 N -1.14 1.19 0.33 5.18 1.01 -1.26 -4.80 121.20 121.72 1def s ILE 53 Ca 0.00 -2.07 0.07 0.00 0.00 0.00 0.00 60.65 58.65 1def s ILE 53 Cb 0.00 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1def s ILE 53 CO 0.00 -0.60 0.25 -1.00 0.00 0.00 0.00 174.94 173.59 1def s HIS 54 N -3.31 1.74 0.23 3.97 3.76 -1.26 -4.94 115.29 115.47 1def s HIS 54 Ca 0.21 -1.61 -0.11 0.00 -0.15 0.00 0.00 55.06 53.40 1def s HIS 54 Cb 0.03 -0.76 -0.01 0.00 1.11 0.00 0.00 32.58 32.95 1def s HIS 54 CO 0.04 -0.79 0.42 -0.65 -0.85 0.00 0.00 174.74 172.90 1def s GLN 55 N -3.51 1.46 -0.44 1.40 -0.21 -1.23 -3.78 119.66 113.36 1def s GLN 55 Ca 0.39 -1.27 0.06 0.00 0.02 0.00 0.00 55.36 54.56 1def s GLN 55 Cb 0.03 0.44 0.22 0.00 1.00 0.00 0.00 33.01 34.69 1def s GLN 55 CO 0.25 -0.59 0.59 0.54 -2.12 0.00 0.00 175.29 173.97 1def n ARG 56 N -0.35 0.58 -3.15 2.91 5.12 -1.26 -4.69 116.66 115.81 1def n ARG 56 Ca -0.02 -2.69 -0.39 0.00 -1.93 0.00 0.00 57.85 52.82 1def n ARG 56 Cb 0.62 -1.42 -0.05 0.00 -1.16 0.00 0.00 32.46 30.46 1def n ARG 56 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1def s ILE 57 N -0.16 4.95 0.58 0.55 -1.09 -1.26 -3.79 121.20 120.99 1def s ILE 57 Ca 0.33 1.31 0.10 0.00 -2.23 0.00 0.00 60.65 60.16 1def s ILE 57 Cb 0.13 -3.97 0.09 0.00 -1.58 0.00 0.00 42.46 37.13 1def s ILE 57 CO -0.16 0.36 0.80 -0.63 -1.23 0.00 0.00 174.94 174.08 1def s ILE 58 N 0.17 2.12 0.09 2.92 1.01 0.52 -4.22 121.20 123.81 1def s ILE 58 Ca 0.33 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1def s ILE 58 Cb -0.18 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1def s ILE 58 CO 0.17 0.00 -0.07 0.68 0.00 0.00 0.00 174.94 175.72 1def s VAL 59 N -2.68 0.67 -0.26 2.92 -7.23 -1.25 -1.31 120.40 111.26 1def s VAL 59 Ca 0.62 -1.76 -0.22 0.00 -1.81 0.00 0.00 61.98 58.80 1def s VAL 59 Cb -0.06 -1.47 0.07 0.00 0.56 0.00 0.00 36.38 35.49 1def s VAL 59 CO 0.39 -0.77 0.69 0.27 -0.31 0.00 0.00 175.10 175.37 1def s ILE 60 N -3.16 -0.00 -0.35 -0.62 -4.36 -0.13 -4.60 121.20 107.98 1def s ILE 60 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.47 1def s ILE 60 Cb 0.02 -0.97 0.11 0.00 1.25 0.00 0.00 42.46 42.87 1def s ILE 60 CO -0.04 0.00 0.14 -1.81 0.24 0.00 0.00 174.94 173.48 1def s ASP 61 N 0.64 3.89 -1.30 4.36 1.11 -1.26 0.17 116.67 124.28 1def s ASP 61 Ca -0.02 -1.97 -0.06 0.00 0.18 0.00 0.00 52.55 50.67 1def s ASP 61 Cb -0.05 -0.92 0.01 0.00 1.07 0.00 0.00 42.92 43.03 1def s ASP 61 CO -0.03 -0.37 1.13 0.52 1.18 0.00 0.00 175.17 177.60 1def n VAL 62 N 4.41 -3.91 -0.12 -1.27 0.31 -0.02 -4.80 118.33 112.92 1def n VAL 62 Ca 0.02 -0.15 -0.24 0.00 -0.01 0.00 0.00 64.34 63.96 1def n VAL 62 Cb 0.40 -4.30 -0.10 0.00 -0.91 0.00 0.00 33.84 28.92 1def n VAL 62 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1def n SER 63 N -3.04 1.90 -0.12 4.52 3.41 -1.26 -4.81 113.62 114.21 1def n SER 63 Ca -0.08 0.40 -0.26 0.00 -0.26 0.00 0.00 58.87 58.66 1def n SER 63 Cb 0.59 -0.90 -0.11 0.00 -0.26 0.00 0.00 64.21 63.53 1def n SER 63 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1def n GLU 64 N -4.37 0.61 0.00 4.33 -0.58 -1.26 -5.03 120.64 114.33 1def n GLU 64 Ca -0.39 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1def n GLU 64 Cb 0.74 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 1def n GLU 64 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1def n ASN 65 N -4.06 1.30 -3.58 1.62 3.02 -1.26 -4.99 115.26 107.31 1def n ASN 65 Ca -0.48 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.66 1def n ASN 65 Cb 0.88 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 40.07 1def n ASN 65 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1def n ARG 66 N 0.00 5.24 -1.08 3.52 1.85 -1.26 -4.73 116.66 120.20 1def n ARG 66 Ca 0.00 -4.53 -0.04 0.00 -1.00 0.00 0.00 57.85 52.28 1def n ARG 66 Cb 0.00 -2.47 0.02 0.00 -1.05 0.00 0.00 32.46 28.96 1def n ARG 66 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1def n ASP 67 N 0.01 0.29 0.00 2.89 5.75 -1.26 -5.04 116.55 119.19 1def n ASP 67 Ca 0.48 -1.23 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 1def n ASP 67 Cb 0.26 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 1def n ASP 67 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1def n GLU 68 N -1.32 3.77 -2.57 0.11 0.28 -1.26 -3.92 120.64 115.72 1def n GLU 68 Ca 0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.62 1def n GLU 68 Cb 0.11 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.96 1def n GLU 68 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1def s ARG 69 N 1.63 3.69 0.13 3.44 1.81 -1.26 -0.84 118.95 127.55 1def s ARG 69 Ca 0.00 -1.37 0.01 0.00 -1.72 0.00 0.00 55.73 52.66 1def s ARG 69 Cb 0.00 -5.39 0.02 0.00 -0.45 0.00 0.00 34.95 29.13 1def s ARG 69 CO 0.00 -2.21 0.18 -0.11 -0.68 0.00 0.00 175.30 172.48 1def n LEU 70 N 8.70 0.00 -4.29 2.53 7.94 0.44 -4.91 117.00 127.41 1def n LEU 70 Ca 0.37 -0.49 -0.15 0.00 -1.11 0.00 0.00 56.01 54.63 1def n LEU 70 Cb 0.50 -0.11 -0.10 0.00 0.53 0.00 0.00 43.42 44.24 1def n LEU 70 CO 0.68 -0.57 -0.37 -0.69 -1.11 0.00 0.00 177.39 175.34 1def s VAL 71 N -0.04 1.09 0.14 1.96 1.01 -1.25 -0.95 120.40 122.35 1def s VAL 71 Ca 0.13 -2.05 0.01 0.00 0.00 0.00 0.00 61.98 60.07 1def s VAL 71 Cb -0.01 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1def s VAL 71 CO 0.09 -0.54 0.01 -0.76 0.00 0.00 0.00 175.10 173.89 1def s LEU 72 N -3.23 2.09 0.00 3.92 1.43 -0.42 -4.70 118.68 117.76 1def s LEU 72 Ca 0.22 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 1def s LEU 72 Cb 0.04 0.08 -0.00 0.00 0.03 0.00 0.00 46.19 46.34 1def s LEU 72 CO 0.04 -0.61 0.01 -0.38 0.23 0.00 0.00 176.35 175.64 1def n ILE 73 N -0.14 0.00 -2.22 -0.59 2.08 -1.26 0.19 119.36 117.42 1def n ILE 73 Ca -0.08 -0.15 -0.00 0.00 0.56 0.00 0.00 62.75 63.08 1def n ILE 73 Cb 0.63 0.06 0.08 0.00 -0.75 0.00 0.00 39.64 39.66 1def n ILE 73 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1def n ASN 74 N -2.34 1.91 0.00 4.38 2.04 -1.25 -4.80 115.26 115.21 1def n ASN 74 Ca -0.00 -2.83 0.00 0.00 -0.44 0.00 0.00 54.58 51.31 1def n ASN 74 Cb 0.04 -0.41 0.00 0.00 -2.53 0.00 0.00 39.78 36.88 1def n ASN 74 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1def n PRO 75 N -0.37 0.00 -3.78 -0.53 -0.04 -1.26 -4.74 135.00 124.27 1def n PRO 75 Ca 0.16 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.26 1def n PRO 75 Cb 0.92 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 34.26 1def n PRO 75 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1def s GLU 76 N 0.00 2.09 0.50 0.54 2.02 -0.98 -4.55 118.70 118.32 1def s GLU 76 Ca 0.00 -1.73 -0.04 0.00 0.02 0.00 0.00 54.97 53.22 1def s GLU 76 Cb 0.00 -3.55 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 1def s GLU 76 CO 0.00 -1.01 0.78 -0.51 0.02 0.00 0.00 175.26 174.53 1def s LEU 77 N 1.17 3.54 0.08 1.80 1.43 -1.26 -1.64 118.68 123.80 1def s LEU 77 Ca 0.06 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 1def s LEU 77 Cb -0.22 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1def s LEU 77 CO -0.03 -0.73 0.00 -0.11 0.23 0.00 0.00 176.35 175.71 1def n LEU 78 N -2.28 0.88 -4.55 1.79 7.94 0.10 -4.85 117.00 116.03 1def n LEU 78 Ca 0.01 0.12 -0.27 0.00 -1.11 0.00 0.00 56.01 54.77 1def n LEU 78 Cb 0.56 -0.26 -0.10 0.00 0.53 0.00 0.00 43.42 44.16 1def n LEU 78 CO 0.51 -0.61 -0.43 -1.61 -1.11 0.00 0.00 177.39 174.14 1def s GLU 79 N -2.00 1.98 -0.44 1.96 0.41 -0.41 -4.94 118.70 115.25 1def s GLU 79 Ca 0.00 -1.31 0.05 0.00 -0.41 0.00 0.00 54.97 53.30 1def s GLU 79 Cb 0.00 -2.11 0.18 0.00 -1.78 0.00 0.00 34.13 30.41 1def s GLU 79 CO 0.00 0.43 0.48 -1.59 -0.49 0.00 0.00 175.26 174.09 1def s LYS 80 N -2.79 0.93 0.58 1.61 -2.85 -1.26 -0.24 119.74 115.71 1def s LYS 80 Ca 0.24 -1.60 -0.13 0.00 -1.00 0.00 0.00 55.97 53.48 1def s LYS 80 Cb -0.09 -0.86 -0.06 0.00 -2.06 0.00 0.00 37.83 34.77 1def s LYS 80 CO 0.14 -1.35 1.01 -1.54 0.10 0.00 0.00 175.35 173.72 1def s SER 81 N 0.51 6.38 0.00 0.03 1.04 0.23 -4.93 113.70 116.95 1def s SER 81 Ca 0.30 1.49 0.00 0.00 0.48 0.00 0.00 55.95 58.22 1def s SER 81 Cb 0.00 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1def s SER 81 CO -0.13 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1def n GLY 82 N -2.21 0.00 2.95 7.32 0.00 -1.26 -2.06 105.19 109.92 1def n GLY 82 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1def n GLY 82 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1def s GLU 83 N -1.65 0.22 0.30 1.61 1.03 -1.26 -1.38 118.70 117.57 1def s GLU 83 Ca 0.00 -0.42 0.00 0.00 0.03 0.00 0.00 54.97 54.58 1def s GLU 83 Cb 0.00 0.07 0.00 0.00 -0.80 0.00 0.00 34.13 33.40 1def s GLU 83 CO 0.00 -0.03 0.00 -2.37 -1.33 0.00 0.00 175.26 171.53 1def n THR 84 N 2.05 0.00 0.00 1.83 5.66 -1.23 -4.69 114.28 117.89 1def n THR 84 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1def n THR 84 Cb 0.57 -0.39 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 1def n THR 84 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1def n GLY 85 N 1.07 -0.38 3.53 1.09 0.00 -0.96 -4.79 105.19 104.75 1def n GLY 85 Ca 0.00 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 44.18 1def n GLY 85 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1def s ILE 86 N -3.03 2.96 -1.21 -0.61 -0.00 -1.26 -4.91 121.20 113.14 1def s ILE 86 Ca 0.00 -1.80 -0.13 0.00 -0.00 0.00 0.00 60.65 58.72 1def s ILE 86 Cb 0.00 -2.47 0.18 0.00 -0.00 0.00 0.00 42.46 40.17 1def s ILE 86 CO 0.00 -0.14 1.47 1.21 -0.00 0.00 0.00 174.94 177.48 1def n GLU 87 N 0.01 3.43 0.00 0.37 4.07 -1.26 -3.72 120.64 123.54 1def n GLU 87 Ca -0.11 -3.86 0.00 0.00 -0.06 0.00 0.00 57.16 53.13 1def n GLU 87 Cb 0.56 -2.99 0.00 0.00 -0.06 0.00 0.00 31.44 28.95 1def n GLU 87 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1def n GLU 88 N 5.16 2.66 -0.04 5.31 -0.58 -0.64 -4.89 120.64 127.63 1def n GLU 88 Ca 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 1def n GLU 88 Cb 0.41 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.28 1def n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1def n GLY 89 N 3.33 0.08 0.00 0.62 0.00 -1.26 0.11 105.19 108.07 1def n GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1def n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1def n LEU 91 N 0.00 0.00 -1.99 0.00 -0.00 -1.26 -4.02 117.00 109.73 1def n LEU 91 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 1def n LEU 91 Cb 0.00 -0.51 -0.02 0.00 -0.00 0.00 0.00 43.42 42.90 1def n LEU 91 CO 0.00 0.00 -0.03 -1.20 -0.00 0.00 0.00 177.39 176.16 1def n SER 92 N -1.53 -0.49 0.00 1.45 7.64 -1.25 -2.45 113.62 116.99 1def n SER 92 Ca 0.00 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1def n SER 92 Cb 0.19 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1def n SER 92 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1def n ILE 93 N -1.34 0.00 -0.52 0.44 2.08 -1.21 -4.07 119.36 114.73 1def n ILE 93 Ca 0.02 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.31 1def n ILE 93 Cb 0.15 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.01 1def n ILE 93 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1def n PRO 94 N 0.00 1.05 -1.74 0.38 -0.04 -1.03 -4.67 135.00 128.95 1def n PRO 94 Ca 0.00 -0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 1def n PRO 94 Cb 0.00 -1.24 0.06 0.00 -0.04 0.00 0.00 33.50 32.28 1def n PRO 94 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1def n GLU 95 N 1.76 0.28 -1.47 0.54 4.07 -1.25 -4.39 120.64 120.18 1def n GLU 95 Ca 0.08 -1.53 0.19 0.00 -0.06 0.00 0.00 57.16 55.83 1def n GLU 95 Cb 0.51 -0.34 -0.06 0.00 -0.06 0.00 0.00 31.44 31.48 1def n GLU 95 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1def n GLN 96 N -1.99 -3.12 -4.38 5.31 7.27 -1.26 -4.47 117.38 114.74 1def n GLN 96 Ca 0.09 2.25 -0.19 0.00 0.07 0.00 0.00 57.00 59.23 1def n GLN 96 Cb 0.33 -3.75 -0.10 0.00 2.41 0.00 0.00 30.24 29.12 1def n GLN 96 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 1def s ARG 97 N -2.97 1.52 0.00 3.69 3.03 -1.26 -4.01 118.95 118.94 1def s ARG 97 Ca 0.00 -1.83 0.00 0.00 2.03 0.00 0.00 55.73 55.93 1def s ARG 97 Cb 0.00 -0.56 0.00 0.00 -1.03 0.00 0.00 34.95 33.36 1def s ARG 97 CO 0.00 -0.23 0.00 0.00 -1.13 0.00 0.00 175.30 173.94 1def n ALA 98 N -0.56 0.00 -2.95 7.88 0.00 0.29 -4.84 120.51 120.33 1def n ALA 98 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.20 1def n ALA 98 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 1def n ALA 98 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1def n LEU 99 N 0.00 3.04 -0.16 0.00 4.77 -1.24 -1.62 117.00 121.79 1def n LEU 99 Ca 0.00 -5.25 -0.02 0.00 -0.03 0.00 0.00 56.01 50.72 1def n LEU 99 Cb 0.00 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1def n LEU 99 CO 0.00 2.26 0.84 0.58 -1.33 0.00 0.00 177.39 179.73 1def h VAL 100 N 2.27 0.58 -3.79 4.08 2.07 -1.82 -3.42 116.25 116.22 1def h VAL 100 Ca 0.12 -0.04 -0.47 0.00 0.82 0.00 0.00 66.70 67.14 1def h VAL 100 Cb 0.76 0.47 0.18 0.00 -1.52 0.00 0.00 31.29 31.18 1def h VAL 100 CO 0.69 0.02 0.15 -2.84 0.02 0.00 0.00 177.57 175.61 1def s PRO 101 N -6.17 0.32 -0.36 1.57 0.02 -1.01 -3.99 135.00 125.37 1def s PRO 101 Ca -0.14 0.92 0.13 0.00 0.02 0.00 0.00 61.00 61.94 1def s PRO 101 Cb 0.17 -1.69 0.42 0.00 0.02 0.00 0.00 34.50 33.41 1def s PRO 101 CO 0.72 -2.91 1.16 0.54 -0.33 0.00 0.00 177.00 176.18 1def n ARG 102 N -4.36 1.17 -4.21 5.54 5.12 -1.26 -2.27 116.66 116.38 1def n ARG 102 Ca 0.06 -2.50 -0.18 0.00 -1.93 0.00 0.00 57.85 53.30 1def n ARG 102 Cb 0.55 -0.63 -0.12 0.00 -1.16 0.00 0.00 32.46 31.10 1def n ARG 102 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1def s ALA 103 N -1.35 1.36 0.00 7.54 0.00 -1.25 -4.03 121.76 124.02 1def s ALA 103 Ca 0.25 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1def s ALA 103 Cb 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1def s ALA 103 CO -0.03 0.15 0.00 -1.91 0.00 0.00 0.00 175.76 173.97 1def n GLU 104 N 0.91 0.00 -4.51 0.00 4.07 -0.48 -3.58 120.64 117.06 1def n GLU 104 Ca -0.18 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.71 1def n GLU 104 Cb 0.55 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.79 1def n GLU 104 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1def s LYS 105 N -0.87 0.98 -0.07 5.31 2.20 -0.88 -4.39 119.74 122.02 1def s LYS 105 Ca 0.00 -0.49 -0.02 0.00 -0.36 0.00 0.00 55.97 55.10 1def s LYS 105 Cb 0.00 -0.95 0.03 0.00 -1.51 0.00 0.00 37.83 35.41 1def s LYS 105 CO 0.00 0.26 0.04 0.14 -0.36 0.00 0.00 175.35 175.43 1def s VAL 106 N -0.38 0.07 -0.07 4.02 -7.23 -0.00 0.74 120.40 117.55 1def s VAL 106 Ca 0.04 0.23 -0.04 0.00 -1.81 0.00 0.00 61.98 60.40 1def s VAL 106 Cb -0.05 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 1def s VAL 106 CO -0.00 0.15 0.13 -0.75 -0.31 0.00 0.00 175.10 174.32 1def s LYS 107 N 2.09 3.35 0.31 4.82 2.36 0.66 -0.70 119.74 132.63 1def s LYS 107 Ca 0.04 -0.26 0.07 0.00 -2.55 0.00 0.00 55.97 53.28 1def s LYS 107 Cb -0.13 -3.08 -0.03 0.00 -1.05 0.00 0.00 37.83 33.54 1def s LYS 107 CO -0.04 0.73 0.27 0.96 1.55 0.00 0.00 175.35 178.81 1def s ILE 108 N -1.12 3.87 -0.25 5.43 -4.36 -0.06 -0.72 121.20 123.99 1def s ILE 108 Ca 0.19 -1.37 -0.04 0.00 -0.26 0.00 0.00 60.65 59.18 1def s ILE 108 Cb -0.12 -3.27 0.09 0.00 1.25 0.00 0.00 42.46 40.41 1def s ILE 108 CO 0.09 -0.23 0.11 -0.13 0.24 0.00 0.00 174.94 175.02 1def s ARG 109 N -3.95 0.22 0.00 0.37 0.52 -0.65 -1.26 118.95 114.20 1def s ARG 109 Ca 0.38 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.15 1def s ARG 109 Cb -0.07 -1.46 0.00 0.00 0.52 0.00 0.00 34.95 33.95 1def s ARG 109 CO 0.26 -0.90 0.00 0.00 0.02 0.00 0.00 175.30 174.68 1def n ALA 110 N 5.21 0.00 -3.41 2.13 0.00 0.23 -2.31 120.51 122.37 1def n ALA 110 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 1def n ALA 110 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 1def n ALA 110 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1def s LEU 111 N 0.00 0.03 0.00 0.00 0.20 -1.26 0.19 118.68 117.84 1def s LEU 111 Ca 0.00 0.71 0.00 0.00 0.69 0.00 0.00 54.13 55.53 1def s LEU 111 Cb 0.00 1.87 0.00 0.00 -0.43 0.00 0.00 46.19 47.63 1def s LEU 111 CO 0.00 -0.37 0.00 -0.90 -0.29 0.00 0.00 176.35 174.79 1def n ASP 112 N 1.87 0.00 -1.84 3.68 5.68 -0.42 -4.73 116.55 120.80 1def n ASP 112 Ca -0.17 -0.77 -0.16 0.00 -0.50 0.00 0.00 54.79 53.18 1def n ASP 112 Cb 0.56 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.60 1def n ASP 112 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1def n ARG 113 N -0.77 1.81 0.00 0.11 1.85 -1.26 -3.45 116.66 114.94 1def n ARG 113 Ca 0.00 -1.67 0.00 0.00 -1.00 0.00 0.00 57.85 55.18 1def n ARG 113 Cb 0.00 -1.65 0.00 0.00 -1.05 0.00 0.00 32.46 29.76 1def n ARG 113 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1def n ASP 114 N 0.04 3.08 0.00 2.89 8.00 -1.26 -4.88 116.55 124.43 1def n ASP 114 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1def n ASP 114 Cb 0.76 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 1def n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1def n GLY 115 N 3.36 1.00 2.93 0.44 0.00 -1.22 -4.94 105.19 106.75 1def n GLY 115 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1def n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1def s LYS 116 N 0.01 1.70 -0.02 1.61 1.02 -1.26 -4.96 119.74 117.84 1def s LYS 116 Ca 0.00 -0.41 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 1def s LYS 116 Cb 0.00 -1.83 -0.06 0.00 -0.52 0.00 0.00 37.83 35.42 1def s LYS 116 CO 0.00 -0.30 1.61 -1.25 -0.92 0.00 0.00 175.35 174.48 1def s PRO 117 N 1.63 4.20 -0.04 -1.68 0.04 -1.26 -1.30 135.00 136.59 1def s PRO 117 Ca 0.04 2.17 0.02 0.00 0.04 0.00 0.00 61.00 63.27 1def s PRO 117 Cb -0.13 -3.84 0.01 0.00 0.04 0.00 0.00 34.50 30.58 1def s PRO 117 CO -0.09 -0.78 -0.08 -0.59 0.04 0.00 0.00 177.00 175.50 1def s PHE 118 N 3.49 1.02 -0.42 0.56 -0.71 0.51 -4.78 117.98 117.65 1def s PHE 118 Ca 0.72 -0.31 -0.14 0.00 -1.04 0.00 0.00 56.93 56.16 1def s PHE 118 Cb -0.34 -0.78 0.04 0.00 -1.21 0.00 0.00 43.02 40.72 1def s PHE 118 CO 0.29 -0.18 0.30 -1.21 -1.34 0.00 0.00 175.22 173.08 1def s GLU 119 N 0.57 2.92 0.06 1.99 2.02 -1.26 0.77 118.70 125.77 1def s GLU 119 Ca -0.09 -1.12 -0.14 0.00 0.02 0.00 0.00 54.97 53.63 1def s GLU 119 Cb -0.13 -3.95 0.02 0.00 0.10 0.00 0.00 34.13 30.18 1def s GLU 119 CO 0.01 -0.81 0.32 -0.51 0.02 0.00 0.00 175.26 174.30 1def s LEU 120 N 1.63 0.80 0.16 1.80 1.43 -0.39 -4.93 118.68 119.18 1def s LEU 120 Ca 0.04 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 1def s LEU 120 Cb -0.20 1.45 -0.07 0.00 0.03 0.00 0.00 46.19 47.39 1def s LEU 120 CO 0.08 -0.67 0.58 -1.83 0.23 0.00 0.00 176.35 174.74 1def s GLU 121 N -2.86 4.01 -0.19 1.70 -1.05 -1.26 -0.88 118.70 118.17 1def s GLU 121 Ca -0.03 0.54 -0.01 0.00 -0.15 0.00 0.00 54.97 55.32 1def s GLU 121 Cb 0.00 -2.91 0.00 0.00 -0.44 0.00 0.00 34.13 30.79 1def s GLU 121 CO -0.05 0.46 -0.13 0.00 0.95 0.00 0.00 175.26 176.49 1def s ALA 122 N -1.49 2.56 0.33 -0.84 0.00 0.13 -4.93 121.76 117.53 1def s ALA 122 Ca 0.39 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 51.22 1def s ALA 122 Cb -0.15 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 1def s ALA 122 CO 0.19 -0.34 0.17 0.16 0.00 0.00 0.00 175.76 175.94 1def s ASP 123 N 1.31 1.87 0.00 0.00 1.47 -1.26 -0.82 116.67 119.24 1def s ASP 123 Ca 0.04 -1.62 0.00 0.00 1.18 0.00 0.00 52.55 52.15 1def s ASP 123 Cb -0.14 0.44 0.00 0.00 -0.34 0.00 0.00 42.92 42.88 1def s ASP 123 CO -0.07 -0.93 0.00 0.61 0.68 0.00 0.00 175.17 175.46 1def n GLY 124 N -0.67 0.92 0.28 2.12 0.00 -1.26 -3.84 105.19 102.74 1def n GLY 124 Ca 0.01 -1.88 0.06 0.00 0.00 0.00 0.00 46.02 44.21 1def n GLY 124 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1def h LEU 125 N 0.00 0.18 0.00 0.99 -0.00 -1.99 -2.53 115.31 111.97 1def h LEU 125 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1def h LEU 125 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 1def h LEU 125 CO 0.00 0.14 -0.00 -0.07 -0.00 0.00 0.00 178.44 178.50 1def h LEU 126 N 0.21 -0.00 -0.95 1.67 -0.00 -1.94 0.14 115.31 114.44 1def h LEU 126 Ca 0.06 -0.84 0.26 0.00 -0.00 0.00 0.00 57.88 57.35 1def h LEU 126 Cb -0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 40.66 40.47 1def h LEU 126 CO -0.01 0.85 0.06 0.00 -0.00 0.00 0.00 178.44 179.34 1def h ALA 127 N 0.11 1.17 0.00 1.53 0.00 -1.61 1.81 119.26 122.26 1def h ALA 127 Ca -0.00 0.31 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1def h ALA 127 Cb 0.85 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1def h ALA 127 CO 0.00 -0.55 -0.44 0.82 0.00 0.00 0.00 179.25 179.08 1def h ILE 128 N 0.04 0.92 0.09 0.00 2.04 -1.42 -1.94 117.51 117.25 1def h ILE 128 Ca 0.58 -1.80 -0.26 0.00 1.00 0.00 0.00 64.86 64.38 1def h ILE 128 Cb 1.19 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 1def h ILE 128 CO -0.86 0.43 -1.20 0.00 0.00 0.00 0.00 178.15 176.53 1def h ILE 130 N 0.05 0.30 0.21 0.00 1.08 -0.11 -2.18 117.51 116.86 1def h ILE 130 Ca -0.11 -1.59 -0.32 0.00 -0.39 0.00 0.00 64.86 62.46 1def h ILE 130 Cb 1.92 1.82 0.02 0.00 -3.07 0.00 0.00 36.82 37.52 1def h ILE 130 CO 0.18 0.17 -1.42 0.06 -0.69 0.00 0.00 178.15 176.46 1def h GLN 131 N 0.00 0.43 -0.78 2.37 3.07 -1.42 -2.65 115.11 116.13 1def h GLN 131 Ca -0.10 -0.74 0.11 0.00 0.09 0.00 0.00 58.65 58.01 1def h GLN 131 Cb 1.35 0.28 -0.12 0.00 0.08 0.00 0.00 27.48 29.07 1def h GLN 131 CO 0.03 1.35 -0.35 1.58 0.09 0.00 0.00 178.83 181.53 1def n HIS 132 N -3.64 -0.09 -0.04 0.06 -0.00 0.11 0.27 115.22 111.88 1def n HIS 132 Ca -0.14 0.97 -0.02 0.00 0.46 0.00 0.00 57.72 58.98 1def n HIS 132 Cb 1.08 -0.72 -0.02 0.00 -0.12 0.00 0.00 29.99 30.20 1def n HIS 132 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1def h GLU 133 N 0.00 -0.05 -0.90 1.57 3.07 -1.34 0.61 114.58 117.54 1def h GLU 133 Ca 0.23 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.97 1def h GLU 133 Cb 0.43 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.27 1def h GLU 133 CO -0.77 -0.03 0.15 0.00 -1.40 0.00 0.00 179.01 176.96 1def n MET 134 N -3.28 2.22 0.00 2.33 0.00 0.49 -2.53 117.12 116.35 1def n MET 134 Ca -0.00 -1.44 0.01 0.00 0.00 0.00 0.00 57.70 56.27 1def n MET 134 Cb 0.06 -1.71 0.01 0.00 0.00 0.00 0.00 33.22 31.58 1def n MET 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1def n ASP 135 N 0.02 1.11 -0.06 3.17 9.92 0.75 -0.41 116.55 131.04 1def n ASP 135 Ca 0.20 -1.05 -0.22 0.00 -0.53 0.00 0.00 54.79 53.19 1def n ASP 135 Cb 0.87 0.10 -0.12 0.00 -0.64 0.00 0.00 41.12 41.33 1def n ASP 135 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1def n HIS 136 N 0.03 1.06 -0.10 1.24 8.25 0.17 -2.42 115.22 123.46 1def n HIS 136 Ca 0.01 0.35 -0.23 0.00 -0.26 0.00 0.00 57.72 57.59 1def n HIS 136 Cb 0.06 -1.12 -0.12 0.00 1.12 0.00 0.00 29.99 29.94 1def n HIS 136 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1def n LEU 137 N -4.05 2.30 -0.12 2.41 -0.00 -1.11 -4.15 117.00 112.29 1def n LEU 137 Ca -0.33 0.23 0.10 0.00 -0.00 0.00 0.00 56.01 56.01 1def n LEU 137 Cb 0.83 -0.94 -0.06 0.00 -0.00 0.00 0.00 43.42 43.25 1def n LEU 137 CO 0.27 0.64 0.08 1.33 -0.00 0.00 0.00 177.39 179.71 1def n VAL 138 N -3.92 0.00 1.01 1.47 0.24 0.45 -3.74 118.33 113.85 1def n VAL 138 Ca -0.42 -0.06 0.12 0.00 -2.04 0.00 0.00 64.34 61.93 1def n VAL 138 Cb 0.89 1.00 0.26 0.00 -1.47 0.00 0.00 33.84 34.52 1def n VAL 138 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1def n GLY 139 N 1.48 -1.22 0.00 7.63 0.00 -1.15 -4.92 105.19 107.02 1def n GLY 139 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1def n GLY 139 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1def n LYS 140 N -1.45 0.00 0.02 1.61 2.85 -1.12 -4.74 118.16 115.32 1def n LYS 140 Ca 0.06 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1def n LYS 140 Cb 0.34 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.72 1def n LYS 140 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1def n LEU 141 N 0.00 0.57 0.00 -5.58 7.99 -1.26 -5.05 117.00 113.68 1def n LEU 141 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 1def n LEU 141 Cb 0.00 -0.18 0.00 0.00 -0.11 0.00 0.00 43.42 43.13 1def n LEU 141 CO 0.00 -0.63 0.00 0.33 -1.51 0.00 0.00 177.39 175.58 1def n PHE 142 N -3.01 0.00 0.00 -1.77 -0.00 -1.26 -4.97 117.46 106.45 1def n PHE 142 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1def n PHE 142 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.49 1def n PHE 142 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1def n MET 143 N 0.00 0.00 -0.01 -4.13 2.81 -1.26 -4.92 117.12 109.61 1def n MET 143 Ca 0.00 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.91 1def n MET 143 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.39 1def n MET 143 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1def n ASP 144 N -1.10 0.35 -3.95 7.83 8.00 -1.26 -4.91 116.55 121.52 1def n ASP 144 Ca 0.00 0.15 -0.31 0.00 0.71 0.00 0.00 54.79 55.34 1def n ASP 144 Cb 0.00 1.02 0.02 0.00 -0.02 0.00 0.00 41.12 42.14 1def n ASP 144 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1def n TYR 145 N -2.62 -2.25 -2.72 1.24 4.02 -1.26 -1.79 117.16 111.77 1def n TYR 145 Ca -0.13 0.90 -0.04 0.00 -0.01 0.00 0.00 57.90 58.62 1def n TYR 145 Cb 0.80 -3.87 0.00 0.00 -0.02 0.00 0.00 39.34 36.25 1def n TYR 145 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1def n LEU 146 N -4.66 -0.31 -0.08 7.72 4.77 -1.26 -4.67 117.00 118.51 1def n LEU 146 Ca 0.05 -0.17 0.01 0.00 -0.03 0.00 0.00 56.01 55.87 1def n LEU 146 Cb 0.52 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1def n LEU 146 CO 0.77 0.07 0.28 -1.20 -1.33 0.00 0.00 177.39 175.98