#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 0.00 -3.71 -3.33 0.24 -1.26 -4.49 118.33 105.78 1def n VAL 2 Ca 0.00 -1.06 -0.36 0.00 -2.04 0.00 0.00 64.34 60.88 1def n VAL 2 Cb 0.00 -0.12 -0.07 0.00 -1.47 0.00 0.00 33.84 32.18 1def n VAL 2 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1def s LEU 3 N 0.00 4.26 -0.65 1.34 1.98 -1.26 -5.00 118.68 119.35 1def s LEU 3 Ca 0.10 0.34 -0.25 0.00 -2.89 0.00 0.00 54.13 51.44 1def s LEU 3 Cb -0.01 -2.15 0.05 0.00 0.66 0.00 0.00 46.19 44.74 1def s LEU 3 CO 0.06 0.21 1.08 -1.10 -1.89 0.00 0.00 176.35 174.71 1def s GLN 4 N 0.10 3.23 -0.25 1.98 1.11 -1.26 -4.99 119.66 119.58 1def s GLN 4 Ca 0.11 -0.41 -0.07 0.00 0.01 0.00 0.00 55.36 55.01 1def s GLN 4 Cb -0.12 -4.15 -0.02 0.00 -1.01 0.00 0.00 33.01 27.71 1def s GLN 4 CO 0.01 -1.82 0.05 0.08 0.01 0.00 0.00 175.29 173.61 1def s VAL 5 N 4.62 4.14 0.39 1.09 1.01 -1.26 -5.08 120.40 125.31 1def s VAL 5 Ca 0.30 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.10 1def s VAL 5 Cb -0.12 -2.93 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 1def s VAL 5 CO 0.15 0.35 0.02 -0.76 0.00 0.00 0.00 175.10 174.86 1def s LEU 6 N 1.59 2.71 -0.13 3.92 2.01 -1.26 -4.31 118.68 123.21 1def s LEU 6 Ca 0.06 -1.36 0.01 0.00 0.01 0.00 0.00 54.13 52.85 1def s LEU 6 Cb -0.15 -0.78 -0.24 0.00 0.01 0.00 0.00 46.19 45.03 1def s LEU 6 CO 0.02 -0.47 0.31 1.41 1.01 0.00 0.00 176.35 178.63 1def n HIS 7 N -0.89 0.89 -2.21 0.29 8.25 -1.25 -4.48 115.22 115.82 1def n HIS 7 Ca -0.04 0.22 -0.26 0.00 -0.26 0.00 0.00 57.72 57.38 1def n HIS 7 Cb 0.67 -1.13 0.01 0.00 1.12 0.00 0.00 29.99 30.66 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 -3.29 2.50 -1.69 1.59 -0.00 -1.26 -1.63 119.36 115.58 1def n ILE 8 Ca -0.31 -4.52 -0.34 0.00 -0.00 0.00 0.00 62.75 57.58 1def n ILE 8 Cb 1.05 -1.20 0.01 0.00 -0.00 0.00 0.00 39.64 39.50 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 -0.61 2.59 -3.16 6.28 -0.04 -1.26 -4.85 135.00 133.95 1def n PRO 9 Ca 0.42 -3.02 -0.14 0.00 -0.04 0.00 0.00 63.50 60.72 1def n PRO 9 Cb 0.81 -2.20 0.07 0.00 -0.04 0.00 0.00 33.50 32.14 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 -0.04 -4.75 0.00 3.54 2.03 -1.26 -5.03 116.55 111.04 1def n ASP 10 Ca 0.52 -0.62 0.00 0.00 0.52 0.00 0.00 54.79 55.21 1def n ASP 10 Cb 0.38 -4.75 0.00 0.00 -0.72 0.00 0.00 41.12 36.03 1def n ASP 10 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1def n GLU 11 N -3.34 0.00 -1.46 -0.67 -0.58 -0.65 -4.96 120.64 108.99 1def n GLU 11 Ca -0.13 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.31 1def n GLU 11 Cb 0.62 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.50 1def n GLU 11 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1def n ARG 12 N 0.00 2.41 0.00 3.49 1.74 -0.26 -4.77 116.66 119.27 1def n ARG 12 Ca 0.00 -2.62 0.00 0.00 -0.77 0.00 0.00 57.85 54.46 1def n ARG 12 Cb 0.00 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.34 1def n ARG 12 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1def n LEU 13 N 0.19 0.00 -2.69 0.55 4.32 -0.72 -0.50 117.00 118.15 1def n LEU 13 Ca 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 56.41 1def n LEU 13 Cb 0.49 0.00 0.10 0.00 -1.62 0.00 0.00 43.42 42.39 1def n LEU 13 CO 0.45 0.00 0.37 -1.14 -1.22 0.00 0.00 177.39 175.84 1def n ARG 14 N -2.93 1.21 -3.72 3.23 0.63 -1.26 -4.87 116.66 108.95 1def n ARG 14 Ca 0.00 -2.14 -0.32 0.00 -0.92 0.00 0.00 57.85 54.47 1def n ARG 14 Cb 0.00 -0.31 -0.05 0.00 0.45 0.00 0.00 32.46 32.55 1def n ARG 14 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1def s LYS 15 N -0.65 3.59 0.51 -0.14 -0.14 0.35 -4.92 119.74 118.34 1def s LYS 15 Ca 0.22 -0.13 0.07 0.00 -1.36 0.00 0.00 55.97 54.77 1def s LYS 15 Cb 0.42 -2.91 0.03 0.00 -1.68 0.00 0.00 37.83 33.69 1def s LYS 15 CO -0.06 0.51 0.48 0.08 -0.76 0.00 0.00 175.35 175.60 1def s VAL 16 N -1.59 2.06 1.04 3.17 1.01 -1.26 -4.66 120.40 120.17 1def s VAL 16 Ca 0.38 -1.34 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 1def s VAL 16 Cb -0.12 -2.40 0.08 0.00 0.00 0.00 0.00 36.38 33.94 1def s VAL 16 CO 0.24 0.00 0.26 0.00 0.00 0.00 0.00 175.10 175.60 1def n ALA 17 N -1.80 -3.31 -3.20 5.51 0.00 -1.26 -4.88 120.51 111.57 1def n ALA 17 Ca 0.04 -0.96 -0.23 0.00 0.00 0.00 0.00 53.44 52.29 1def n ALA 17 Cb 0.63 -1.68 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 1def n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1def n LYS 18 N -2.09 1.38 -0.55 0.00 4.81 -1.21 -4.97 118.16 115.53 1def n LYS 18 Ca 0.04 -3.70 -0.18 0.00 -0.87 0.00 0.00 58.31 53.60 1def n LYS 18 Cb 0.58 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.98 1def n LYS 18 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1def n PRO 19 N 0.80 0.00 -2.73 1.64 -0.02 -1.26 -4.43 135.00 129.01 1def n PRO 19 Ca 0.25 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.46 1def n PRO 19 Cb 0.53 -0.43 -0.00 0.00 -0.02 0.00 0.00 33.50 33.58 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 -0.76 4.87 0.00 -1.45 1.01 -1.26 -4.89 120.40 117.92 1def s VAL 20 Ca 0.25 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1def s VAL 20 Cb -0.26 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1def s VAL 20 CO 0.27 -0.79 0.00 1.21 0.00 0.00 0.00 175.10 175.79 1def n GLU 21 N -2.21 0.00 -4.43 2.72 2.13 -1.26 -5.08 120.64 112.51 1def n GLU 21 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 1def n GLU 21 Cb 0.55 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.16 1def n GLU 21 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1def s GLU 22 N 0.00 1.68 0.28 5.31 8.01 -1.26 -4.95 118.70 127.77 1def s GLU 22 Ca 0.00 -1.63 0.02 0.00 0.01 0.00 0.00 54.97 53.37 1def s GLU 22 Cb 0.00 -1.85 -0.05 0.00 -4.31 0.00 0.00 34.13 27.93 1def s GLU 22 CO 0.00 0.36 0.10 0.08 0.01 0.00 0.00 175.26 175.82 1def s VAL 23 N -2.14 0.57 0.00 2.63 1.01 -1.26 -5.08 120.40 116.12 1def s VAL 23 Ca 0.26 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.24 1def s VAL 23 Cb -0.06 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.70 1def s VAL 23 CO 0.13 0.00 0.00 -0.46 0.00 0.00 0.00 175.10 174.77 1def n ASN 24 N -0.58 0.00 -2.23 3.32 6.94 -1.26 -4.51 115.26 116.94 1def n ASN 24 Ca -0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.27 1def n ASN 24 Cb 0.66 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 38.13 1def n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1def n ALA 25 N -3.00 5.94 0.02 -2.53 0.00 -1.26 -3.56 120.51 116.12 1def n ALA 25 Ca 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 53.44 50.58 1def n ALA 25 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1def n ALA 25 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1def n GLU 26 N -0.34 0.00 -0.00 0.00 2.13 -1.26 -4.62 120.64 116.54 1def n GLU 26 Ca 0.50 0.00 0.23 0.00 0.66 0.00 0.00 57.16 58.55 1def n GLU 26 Cb 0.59 -0.42 0.63 0.00 0.27 0.00 0.00 31.44 32.51 1def n GLU 26 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1def h ILE 27 N 0.00 0.21 -0.69 6.31 1.08 -1.98 -2.00 117.51 120.45 1def h ILE 27 Ca 0.00 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.75 1def h ILE 27 Cb 0.57 0.41 -0.11 0.00 -3.07 0.00 0.00 36.82 34.62 1def h ILE 27 CO 0.00 0.00 0.39 0.00 -0.69 0.00 0.00 178.15 177.85 1def n GLN 28 N -3.48 -0.04 0.00 2.37 -0.00 -1.25 0.75 117.38 115.73 1def n GLN 28 Ca 0.13 0.86 0.00 0.00 -0.00 0.00 0.00 57.00 57.99 1def n GLN 28 Cb 0.94 -1.58 0.00 0.00 -0.00 0.00 0.00 30.24 29.60 1def n GLN 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1def n ARG 29 N -4.35 0.00 -0.22 2.61 1.74 -0.75 -0.18 116.66 115.50 1def n ARG 29 Ca 0.25 0.46 0.11 0.00 -0.77 0.00 0.00 57.85 57.90 1def n ARG 29 Cb 0.86 -1.26 0.22 0.00 -1.02 0.00 0.00 32.46 31.26 1def n ARG 29 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1def n ILE 30 N -1.58 -0.27 0.31 0.55 -0.00 0.23 0.26 119.36 118.85 1def n ILE 30 Ca 0.00 1.42 -0.13 0.00 -0.00 0.00 0.00 62.75 64.04 1def n ILE 30 Cb 0.00 -2.11 -0.06 0.00 -0.00 0.00 0.00 39.64 37.47 1def n ILE 30 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 1def h VAL 31 N 0.00 0.00 0.00 1.39 2.07 -1.00 -0.60 116.25 118.11 1def h VAL 31 Ca 0.42 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1def h VAL 31 Cb 0.91 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1def h VAL 31 CO -0.60 0.00 0.00 0.47 0.02 0.00 0.00 177.57 177.46 1def n ASP 32 N -4.97 0.00 -0.04 0.57 9.92 0.18 -1.13 116.55 121.08 1def n ASP 32 Ca -0.10 -0.29 -0.01 0.00 -0.53 0.00 0.00 54.79 53.86 1def n ASP 32 Cb 0.33 -0.10 -0.14 0.00 -0.64 0.00 0.00 41.12 40.57 1def n ASP 32 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1def n ASP 33 N -1.10 0.23 0.15 -2.24 2.03 0.71 -1.98 116.55 114.35 1def n ASP 33 Ca 0.10 0.10 0.12 0.00 0.52 0.00 0.00 54.79 55.63 1def n ASP 33 Cb 0.07 1.10 0.13 0.00 -0.72 0.00 0.00 41.12 41.70 1def n ASP 33 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 1def h MET 34 N 0.00 0.00 0.07 -0.67 4.05 0.47 -1.48 114.93 117.37 1def h MET 34 Ca -0.27 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1def h MET 34 Cb 1.67 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.47 1def h MET 34 CO 0.02 0.00 -0.03 0.74 0.23 0.00 0.00 176.91 177.87 1def h PHE 35 N 0.00 -0.09 -1.10 1.39 0.04 -1.38 1.48 116.94 117.28 1def h PHE 35 Ca 0.00 -0.00 0.30 0.00 2.80 0.00 0.00 57.97 61.07 1def h PHE 35 Cb 0.95 0.03 -0.10 0.00 2.20 0.00 0.00 35.95 39.02 1def h PHE 35 CO 0.00 0.45 0.71 0.93 -0.60 0.00 0.00 178.31 179.80 1def h GLU 36 N -0.71 0.30 0.00 1.51 5.08 -1.19 0.32 114.58 119.90 1def h GLU 36 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1def h GLU 36 Cb 0.58 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1def h GLU 36 CO 0.02 0.20 -0.04 2.41 -1.00 0.00 0.00 179.01 180.60 1def n THR 37 N -4.63 0.09 -0.24 1.13 -1.04 -0.57 -2.87 114.28 106.14 1def n THR 37 Ca 0.28 0.48 0.03 0.00 -2.04 0.00 0.00 64.05 62.80 1def n THR 37 Cb 1.01 -1.55 0.08 0.00 -1.82 0.00 0.00 70.33 68.04 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 -2.43 -0.08 0.01 -2.82 0.00 0.50 0.73 117.12 113.03 1def n MET 38 Ca -0.00 1.02 -0.13 0.00 0.00 0.00 0.00 57.70 58.59 1def n MET 38 Cb 0.02 -1.52 -0.09 0.00 0.00 0.00 0.00 33.22 31.64 1def n MET 38 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 1def h TYR 39 N 0.00 0.01 -0.43 1.12 0.05 -1.02 -3.25 116.97 113.45 1def h TYR 39 Ca 0.30 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.99 1def h TYR 39 Cb 0.46 -0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.15 1def h TYR 39 CO -0.52 0.29 0.10 0.00 -1.05 0.00 0.00 178.16 176.98 1def n ALA 40 N -2.24 3.65 -1.48 3.88 0.00 0.22 -4.67 120.51 119.89 1def n ALA 40 Ca -0.08 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.00 1def n ALA 40 Cb 0.16 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1def n ALA 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1def n GLU 41 N 0.16 0.00 -2.72 0.00 -0.58 0.14 -4.88 120.64 112.76 1def n GLU 41 Ca 0.23 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.85 1def n GLU 41 Cb 0.95 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.80 1def n GLU 41 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1def n GLU 42 N -0.72 -1.96 0.00 3.49 -0.58 -1.26 -4.59 120.64 115.02 1def n GLU 42 Ca 0.00 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1def n GLU 42 Cb 0.00 -3.64 0.00 0.00 -0.57 0.00 0.00 31.44 27.23 1def n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1def n GLY 43 N -0.59 0.53 0.09 0.62 0.00 -1.26 -5.02 105.19 99.56 1def n GLY 43 Ca 0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1def n GLY 43 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1def n ILE 44 N 0.00 1.11 0.00 -0.61 -5.35 -1.26 -5.07 119.36 108.17 1def n ILE 44 Ca 0.00 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1def n ILE 44 Cb 0.00 -1.06 0.00 0.00 -1.74 0.00 0.00 39.64 36.84 1def n ILE 44 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1def n GLY 45 N 2.46 1.42 2.76 3.28 0.00 -1.26 -4.46 105.19 109.39 1def n GLY 45 Ca -0.33 -2.07 -0.22 0.00 0.00 0.00 0.00 46.02 43.41 1def n GLY 45 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1def n LEU 46 N 0.00 0.00 -4.11 0.99 0.00 -1.26 -4.84 117.00 107.78 1def n LEU 46 Ca 0.00 -2.52 -0.30 0.00 0.00 0.00 0.00 56.01 53.19 1def n LEU 46 Cb 0.00 0.66 -0.17 0.00 0.00 0.00 0.00 43.42 43.91 1def n LEU 46 CO 0.00 -0.38 -0.52 0.00 0.00 0.00 0.00 177.39 176.50 1def s ALA 47 N -2.83 1.92 -0.63 1.96 0.00 -1.26 -3.94 121.76 116.98 1def s ALA 47 Ca 0.11 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 51.14 1def s ALA 47 Cb 0.01 -0.89 -0.21 0.00 0.00 0.00 0.00 23.12 22.02 1def s ALA 47 CO 0.08 -0.04 1.51 0.00 0.00 0.00 0.00 175.76 177.30 1def n ALA 48 N 4.12 0.79 0.00 0.00 0.00 -1.12 -4.19 120.51 120.11 1def n ALA 48 Ca -0.19 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1def n ALA 48 Cb 0.51 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1def n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1def n THR 49 N 4.17 0.00 -2.20 0.00 -1.04 -1.26 -4.84 114.28 109.10 1def n THR 49 Ca 0.43 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 62.22 1def n THR 49 Cb 0.17 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.70 1def n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1def n GLN 50 N 0.37 3.34 -0.09 -2.82 3.00 -1.26 -4.29 117.38 115.63 1def n GLN 50 Ca 0.00 -4.15 -0.12 0.00 -0.01 0.00 0.00 57.00 52.72 1def n GLN 50 Cb 0.00 -2.18 -0.05 0.00 0.00 0.00 0.00 30.24 28.01 1def n GLN 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1def n VAL 51 N -0.64 1.47 0.00 5.09 0.31 -1.26 -1.10 118.33 122.20 1def n VAL 51 Ca 0.39 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 1def n VAL 51 Cb 0.89 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 1def n VAL 51 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1def n ASP 52 N -4.50 0.00 -4.53 4.52 5.68 -1.26 -3.09 116.55 113.36 1def n ASP 52 Ca -0.19 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 53.86 1def n ASP 52 Cb 0.47 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.36 1def n ASP 52 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1def s ILE 53 N -0.93 2.86 -0.30 2.12 1.01 -1.26 -4.99 121.20 119.71 1def s ILE 53 Ca 0.00 -2.15 0.18 0.00 0.00 0.00 0.00 60.65 58.68 1def s ILE 53 Cb 0.00 -2.49 0.46 0.00 0.01 0.00 0.00 42.46 40.43 1def s ILE 53 CO 0.00 -0.35 1.34 0.00 0.00 0.00 0.00 174.94 175.94 1def n HIS 54 N -0.59 -0.52 -3.50 3.97 1.44 -1.26 -4.44 115.22 110.32 1def n HIS 54 Ca -0.07 -1.92 0.00 0.00 -2.01 0.00 0.00 57.72 53.73 1def n HIS 54 Cb 0.59 0.73 0.00 0.00 0.12 0.00 0.00 29.99 31.43 1def n HIS 54 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1def n GLN 55 N -1.11 0.99 -0.28 -1.40 10.64 -1.26 -3.31 117.38 121.65 1def n GLN 55 Ca -0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.11 1def n GLN 55 Cb 0.84 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.22 1def n GLN 55 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1def n ARG 56 N 0.00 0.00 0.00 2.61 1.85 -1.26 -4.85 116.66 115.01 1def n ARG 56 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1def n ARG 56 Cb 0.00 -0.28 0.00 0.00 -1.05 0.00 0.00 32.46 31.13 1def n ARG 56 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1def n ILE 57 N -1.25 0.00 -4.39 8.89 5.41 -1.26 -4.54 119.36 122.22 1def n ILE 57 Ca 0.00 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.52 1def n ILE 57 Cb 0.23 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.12 1def n ILE 57 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1def n ILE 58 N 0.00 0.00 -4.27 1.39 -5.35 0.34 -3.60 119.36 107.87 1def n ILE 58 Ca 0.00 -1.76 -0.15 0.00 -0.27 0.00 0.00 62.75 60.57 1def n ILE 58 Cb 0.00 0.25 -0.10 0.00 -1.74 0.00 0.00 39.64 38.05 1def n ILE 58 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1def s VAL 59 N -2.30 1.24 0.18 7.28 -7.23 -1.25 0.37 120.40 118.69 1def s VAL 59 Ca 0.05 -2.08 0.08 0.00 -1.81 0.00 0.00 61.98 58.22 1def s VAL 59 Cb -0.00 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1def s VAL 59 CO 0.03 -0.69 -0.17 0.27 -0.31 0.00 0.00 175.10 174.24 1def s ILE 60 N -3.29 1.77 -0.13 -0.62 -4.36 0.11 -4.85 121.20 109.83 1def s ILE 60 Ca 0.19 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.57 1def s ILE 60 Cb 0.02 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.87 1def s ILE 60 CO 0.02 -0.42 -0.12 -1.81 0.24 0.00 0.00 174.94 172.85 1def s ASP 61 N -2.88 2.43 -1.18 4.36 1.01 -1.26 -0.39 116.67 118.76 1def s ASP 61 Ca 0.18 -0.40 -0.06 0.00 0.71 0.00 0.00 52.55 52.97 1def s ASP 61 Cb -0.04 -1.03 -0.02 0.00 1.01 0.00 0.00 42.92 42.84 1def s ASP 61 CO 0.07 -0.06 0.83 0.52 0.21 0.00 0.00 175.17 176.74 1def n VAL 62 N 4.68 -6.38 -0.09 -1.27 0.31 -1.26 -4.66 118.33 109.67 1def n VAL 62 Ca -0.16 -0.84 -0.19 0.00 -0.01 0.00 0.00 64.34 63.15 1def n VAL 62 Cb 0.50 -4.90 -0.12 0.00 -0.91 0.00 0.00 33.84 28.41 1def n VAL 62 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1def h SER 63 N -1.65 0.01 -2.05 4.52 4.64 -1.78 -3.46 113.55 113.79 1def h SER 63 Ca -0.62 -0.72 -0.55 0.00 -0.47 0.00 0.00 61.79 59.43 1def h SER 63 Cb 1.34 -0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.34 1def h SER 63 CO 0.50 1.30 -0.60 -1.61 -0.87 0.00 0.00 176.83 175.55 1def s GLU 64 N -2.31 2.33 0.00 4.77 0.41 -1.26 -4.94 118.70 117.69 1def s GLU 64 Ca -0.25 -1.49 0.00 0.00 -0.41 0.00 0.00 54.97 52.82 1def s GLU 64 Cb 0.02 -2.16 0.00 0.00 -1.78 0.00 0.00 34.13 30.22 1def s GLU 64 CO 0.64 0.24 0.00 -1.71 -0.49 0.00 0.00 175.26 173.94 1def n ASN 65 N -1.01 0.00 -2.53 -0.19 5.15 -1.26 -1.56 115.26 113.86 1def n ASN 65 Ca -0.05 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.63 1def n ASN 65 Cb 0.60 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.86 1def n ASN 65 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1def n ARG 66 N -0.03 3.29 -4.57 1.20 3.00 -1.26 -4.97 116.66 113.33 1def n ARG 66 Ca 0.00 -4.25 -0.28 0.00 -0.01 0.00 0.00 57.85 53.31 1def n ARG 66 Cb 0.00 -2.26 -0.08 0.00 0.00 0.00 0.00 32.46 30.13 1def n ARG 66 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1def s ASP 67 N -3.00 3.11 0.52 0.55 2.15 -0.60 -5.17 116.67 114.23 1def s ASP 67 Ca 0.49 -1.71 0.01 0.00 0.43 0.00 0.00 52.55 51.77 1def s ASP 67 Cb 0.41 0.57 -0.00 0.00 -0.30 0.00 0.00 42.92 43.60 1def s ASP 67 CO -0.21 -0.95 0.01 -1.83 -0.17 0.00 0.00 175.17 172.01 1def s GLU 68 N -3.72 2.22 -0.20 4.34 -1.05 -1.26 -4.41 118.70 114.62 1def s GLU 68 Ca 0.19 -2.43 -0.18 0.00 -0.15 0.00 0.00 54.97 52.40 1def s GLU 68 Cb 0.02 -1.53 -0.08 0.00 -0.44 0.00 0.00 34.13 32.10 1def s GLU 68 CO 0.12 -0.40 0.77 2.89 0.95 0.00 0.00 175.26 179.60 1def n ARG 69 N -1.31 0.00 -0.61 -4.83 0.00 -1.26 -4.16 116.66 104.49 1def n ARG 69 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 1def n ARG 69 Cb 0.67 -0.61 0.00 0.00 -0.00 0.00 0.00 32.46 32.52 1def n ARG 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1def n LEU 70 N 2.43 0.00 -4.85 2.89 7.94 0.48 -4.78 117.00 121.11 1def n LEU 70 Ca 0.18 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.81 1def n LEU 70 Cb -0.02 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.90 1def n LEU 70 CO 0.36 -0.05 -0.05 -0.69 -1.11 0.00 0.00 177.39 175.85 1def s VAL 71 N 0.65 1.64 0.00 1.96 1.01 -1.26 0.04 120.40 124.44 1def s VAL 71 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.34 1def s VAL 71 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1def s VAL 71 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.10 174.99 1def n LEU 72 N -1.57 0.00 0.00 3.92 7.94 0.16 -4.43 117.00 123.01 1def n LEU 72 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1def n LEU 72 Cb 0.65 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.60 1def n LEU 72 CO 0.40 0.00 0.00 2.30 -1.11 0.00 0.00 177.39 178.98 1def n ILE 73 N -0.13 0.00 -2.47 1.96 -5.35 -1.26 0.13 119.36 112.24 1def n ILE 73 Ca 0.00 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.16 1def n ILE 73 Cb 0.00 -1.08 0.00 0.00 -1.74 0.00 0.00 39.64 36.82 1def n ILE 73 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1def n ASN 74 N 0.00 5.68 -3.79 7.28 6.94 -1.26 -4.58 115.26 125.53 1def n ASN 74 Ca 0.00 -3.74 -0.20 0.00 -0.02 0.00 0.00 54.58 50.62 1def n ASN 74 Cb 0.00 -0.72 0.02 0.00 -2.36 0.00 0.00 39.78 36.72 1def n ASN 74 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1def n PRO 75 N -0.39 0.00 -3.89 -0.53 -0.04 -1.26 -4.86 135.00 124.02 1def n PRO 75 Ca 0.42 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.54 1def n PRO 75 Cb 0.45 -0.98 -0.13 0.00 -0.04 0.00 0.00 33.50 32.80 1def n PRO 75 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1def s GLU 76 N -1.95 1.79 0.48 0.54 -6.30 -0.88 -4.98 118.70 107.40 1def s GLU 76 Ca 0.19 -1.93 0.03 0.00 -2.50 0.00 0.00 54.97 50.76 1def s GLU 76 Cb 0.06 -3.41 0.02 0.00 0.00 0.00 0.00 34.13 30.79 1def s GLU 76 CO 0.34 -1.02 0.68 -0.48 0.02 0.00 0.00 175.26 174.80 1def s LEU 77 N 0.90 3.51 0.03 2.70 0.05 -1.26 -1.31 118.68 123.28 1def s LEU 77 Ca 0.10 -0.04 -0.01 0.00 0.05 0.00 0.00 54.13 54.24 1def s LEU 77 Cb -0.21 -2.88 -0.00 0.00 -2.05 0.00 0.00 46.19 41.04 1def s LEU 77 CO -0.06 -0.89 -0.01 -0.11 -0.55 0.00 0.00 176.35 174.73 1def n LEU 78 N -2.11 0.44 -4.49 1.48 7.94 0.37 -4.89 117.00 115.73 1def n LEU 78 Ca 0.06 0.06 -0.26 0.00 -1.11 0.00 0.00 56.01 54.75 1def n LEU 78 Cb 0.59 -0.14 -0.10 0.00 0.53 0.00 0.00 43.42 44.29 1def n LEU 78 CO 0.44 -0.25 -0.47 -1.61 -1.11 0.00 0.00 177.39 174.39 1def s GLU 79 N -2.02 1.77 -0.34 1.96 2.02 -0.08 -4.95 118.70 117.06 1def s GLU 79 Ca -0.01 -1.47 0.03 0.00 0.02 0.00 0.00 54.97 53.54 1def s GLU 79 Cb 0.00 -1.96 0.16 0.00 0.10 0.00 0.00 34.13 32.43 1def s GLU 79 CO 0.02 0.40 0.40 -1.59 0.02 0.00 0.00 175.26 174.50 1def s LYS 80 N -2.89 0.54 -0.11 1.61 -2.85 -1.26 -0.32 119.74 114.46 1def s LYS 80 Ca 0.24 -0.39 -0.02 0.00 -1.00 0.00 0.00 55.97 54.79 1def s LYS 80 Cb -0.08 -0.51 -0.03 0.00 -2.06 0.00 0.00 37.83 35.15 1def s LYS 80 CO 0.13 -1.12 -0.01 -1.54 0.10 0.00 0.00 175.35 172.91 1def s SER 81 N 1.95 5.10 0.00 0.03 1.04 0.76 -4.93 113.70 117.66 1def s SER 81 Ca 0.13 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1def s SER 81 Cb -0.13 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 64.44 1def s SER 81 CO -0.17 0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1def n GLY 82 N 2.57 -2.57 2.94 7.32 0.00 -1.26 -0.18 105.19 114.00 1def n GLY 82 Ca -0.18 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 1def n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1def s GLU 83 N -3.64 1.71 0.01 1.61 2.12 -1.26 -0.51 118.70 118.74 1def s GLU 83 Ca 0.00 -0.64 -0.04 0.00 0.36 0.00 0.00 54.97 54.65 1def s GLU 83 Cb 0.00 -2.16 -0.02 0.00 0.26 0.00 0.00 34.13 32.22 1def s GLU 83 CO 0.00 -0.42 -0.08 -2.37 -0.54 0.00 0.00 175.26 171.85 1def n THR 84 N 4.80 1.09 0.00 -1.70 5.66 -1.26 -4.88 114.28 117.99 1def n THR 84 Ca -0.13 0.25 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1def n THR 84 Cb 0.47 -1.73 0.00 0.00 -1.55 0.00 0.00 70.33 67.53 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 2.92 -3.02 2.64 1.09 0.00 -1.22 -4.85 105.19 102.75 1def n GLY 85 Ca -0.06 -2.15 -0.26 0.00 0.00 0.00 0.00 46.02 43.56 1def n GLY 85 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1def s ILE 86 N -0.79 0.04 -1.43 -0.61 1.10 -1.26 -4.74 121.20 113.51 1def s ILE 86 Ca 0.00 -0.21 -0.13 0.00 -0.51 0.00 0.00 60.65 59.81 1def s ILE 86 Cb 0.00 -0.64 0.06 0.00 0.15 0.00 0.00 42.46 42.02 1def s ILE 86 CO 0.00 -0.23 2.21 -0.62 -2.11 0.00 0.00 174.94 174.19 1def n GLU 87 N 5.23 3.09 0.00 3.50 1.02 -1.24 -3.46 120.64 128.77 1def n GLU 87 Ca -0.07 -2.77 0.00 0.00 -0.02 0.00 0.00 57.16 54.30 1def n GLU 87 Cb 0.49 -3.17 0.00 0.00 -0.02 0.00 0.00 31.44 28.73 1def n GLU 87 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1def n GLU 88 N 5.41 0.00 0.00 3.49 1.02 -0.67 -4.91 120.64 124.98 1def n GLU 88 Ca 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1def n GLU 88 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.79 1def n GLU 88 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1def n GLY 89 N 3.14 -1.09 0.00 0.62 0.00 -1.26 -2.04 105.19 104.55 1def n GLY 89 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.07 0.00 7.94 -1.26 -4.75 117.00 118.86 1def n LEU 91 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 1def n LEU 91 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 1def n LEU 91 CO 0.00 0.00 0.13 -1.20 -1.11 0.00 0.00 177.39 175.21 1def n SER 92 N -1.87 -0.16 0.02 1.96 7.64 -1.26 -4.62 113.62 115.33 1def n SER 92 Ca 0.00 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1def n SER 92 Cb 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1def n SER 92 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1def n ILE 93 N -3.49 0.00 -0.68 0.44 -5.35 -1.26 -3.76 119.36 105.26 1def n ILE 93 Ca 0.00 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.16 1def n ILE 93 Cb 0.04 -0.03 0.17 0.00 -1.74 0.00 0.00 39.64 38.07 1def n ILE 93 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1def n PRO 94 N -2.59 -1.60 -0.66 6.28 -0.04 -1.26 -4.78 135.00 130.34 1def n PRO 94 Ca 0.00 -0.45 -0.23 0.00 -0.04 0.00 0.00 63.50 62.78 1def n PRO 94 Cb 0.00 -1.65 -0.02 0.00 -0.04 0.00 0.00 33.50 31.80 1def n PRO 94 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1def n GLU 95 N -1.82 0.00 -4.71 0.54 4.71 -1.26 -4.93 120.64 113.17 1def n GLU 95 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.84 1def n GLU 95 Cb 0.62 -0.50 -0.09 0.00 -1.01 0.00 0.00 31.44 30.46 1def n GLU 95 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 1def s GLN 96 N -0.39 2.12 0.00 3.49 -2.07 -1.26 -4.52 119.66 117.02 1def s GLN 96 Ca 0.32 -2.31 0.00 0.00 -1.82 0.00 0.00 55.36 51.55 1def s GLN 96 Cb -0.46 -1.52 0.00 0.00 -1.09 0.00 0.00 33.01 29.94 1def s GLN 96 CO 0.26 -0.28 0.00 0.54 -1.32 0.00 0.00 175.29 174.49 1def n ARG 97 N -1.17 0.00 -3.51 9.60 1.74 -1.25 -5.02 116.66 117.06 1def n ARG 97 Ca -0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 1def n ARG 97 Cb 0.67 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.11 1def n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1def n ALA 98 N 2.93 0.00 -3.28 7.54 0.00 -0.87 -4.84 120.51 121.99 1def n ALA 98 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1def n ALA 98 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1def n ALA 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1def n LEU 99 N 0.00 3.61 0.34 0.00 7.94 -1.23 -1.68 117.00 125.99 1def n LEU 99 Ca 0.00 -5.44 -0.14 0.00 -1.11 0.00 0.00 56.01 49.32 1def n LEU 99 Cb 0.00 -0.51 -0.07 0.00 0.53 0.00 0.00 43.42 43.37 1def n LEU 99 CO 0.00 2.14 0.36 0.58 -1.11 0.00 0.00 177.39 179.36 1def h VAL 100 N 2.98 0.00 -1.93 1.96 2.07 -1.82 -3.40 116.25 116.11 1def h VAL 100 Ca 0.17 -0.33 -0.27 0.00 0.82 0.00 0.00 66.70 67.09 1def h VAL 100 Cb 0.65 0.00 0.15 0.00 -1.52 0.00 0.00 31.29 30.57 1def h VAL 100 CO 0.80 0.00 -0.56 -2.65 0.02 0.00 0.00 177.57 175.18 1def n PRO 101 N -5.37 -1.95 -0.29 1.57 -0.02 -0.60 -4.76 135.00 123.58 1def n PRO 101 Ca -0.11 -0.57 0.00 0.00 -2.02 0.00 0.00 63.50 60.79 1def n PRO 101 Cb 0.36 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1def n PRO 101 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1def n ARG 102 N -1.44 0.00 -4.17 -0.52 1.85 -1.26 -3.40 116.66 107.72 1def n ARG 102 Ca 0.04 -0.37 -0.18 0.00 -1.00 0.00 0.00 57.85 56.35 1def n ARG 102 Cb 0.41 -0.23 -0.12 0.00 -1.05 0.00 0.00 32.46 31.47 1def n ARG 102 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1def s ALA 103 N 0.00 1.16 0.05 2.89 0.00 -1.26 -4.09 121.76 120.52 1def s ALA 103 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1def s ALA 103 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1def s ALA 103 CO 0.00 0.14 0.00 0.39 0.00 0.00 0.00 175.76 176.29 1def n GLU 104 N 1.18 0.00 -4.71 0.00 1.02 0.33 -4.29 120.64 114.17 1def n GLU 104 Ca -0.20 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.70 1def n GLU 104 Cb 0.55 -0.43 -0.16 0.00 -0.02 0.00 0.00 31.44 31.38 1def n GLU 104 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1def s LYS 105 N -2.00 1.43 -0.15 3.49 1.02 0.74 -3.66 119.74 120.62 1def s LYS 105 Ca 0.00 -0.53 -0.04 0.00 0.02 0.00 0.00 55.97 55.42 1def s LYS 105 Cb 0.00 -1.30 0.07 0.00 -0.52 0.00 0.00 37.83 36.08 1def s LYS 105 CO 0.00 0.25 0.22 0.14 -0.92 0.00 0.00 175.35 175.04 1def s VAL 106 N -0.07 -0.34 -0.26 3.17 -7.23 0.57 -0.17 120.40 116.07 1def s VAL 106 Ca -0.00 0.14 -0.09 0.00 -1.81 0.00 0.00 61.98 60.22 1def s VAL 106 Cb -0.09 -0.50 -0.04 0.00 0.56 0.00 0.00 36.38 36.31 1def s VAL 106 CO 0.01 -0.00 0.14 -0.75 -0.31 0.00 0.00 175.10 174.18 1def s LYS 107 N 2.35 3.86 0.74 4.82 2.20 0.56 -1.56 119.74 132.71 1def s LYS 107 Ca 0.04 -0.37 -0.04 0.00 -0.36 0.00 0.00 55.97 55.24 1def s LYS 107 Cb -0.14 -3.50 0.12 0.00 -1.51 0.00 0.00 37.83 32.80 1def s LYS 107 CO -0.09 -0.14 1.03 0.96 -0.36 0.00 0.00 175.35 176.75 1def s ILE 108 N 1.57 2.18 -0.18 5.43 -4.36 0.11 -0.48 121.20 125.47 1def s ILE 108 Ca 0.07 -0.46 -0.05 0.00 -0.26 0.00 0.00 60.65 59.94 1def s ILE 108 Cb -0.15 -2.71 0.06 0.00 1.25 0.00 0.00 42.46 40.91 1def s ILE 108 CO 0.07 0.00 0.09 -0.13 0.24 0.00 0.00 174.94 175.21 1def s ARG 109 N -5.25 0.12 0.00 0.37 1.81 -0.43 -1.39 118.95 114.18 1def s ARG 109 Ca 0.66 -0.13 0.00 0.00 -1.72 0.00 0.00 55.73 54.54 1def s ARG 109 Cb -0.06 -1.82 0.00 0.00 -0.45 0.00 0.00 34.95 32.62 1def s ARG 109 CO 0.45 -0.69 0.00 0.00 -0.68 0.00 0.00 175.30 174.39 1def n ALA 110 N 5.26 0.00 -3.38 2.13 0.00 0.28 -2.07 120.51 122.72 1def n ALA 110 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 1def n ALA 110 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 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 0.36 0.00 0.00 0.20 -1.26 0.21 118.68 118.19 1def s LEU 111 Ca 0.00 0.82 -0.00 0.00 0.69 0.00 0.00 54.13 55.64 1def s LEU 111 Cb 0.00 1.35 0.02 0.00 -0.43 0.00 0.00 46.19 47.13 1def s LEU 111 CO 0.00 -0.15 0.16 -0.90 -0.29 0.00 0.00 176.35 175.17 1def n ASP 112 N 3.18 0.22 -3.32 3.68 5.68 -0.23 -4.28 116.55 121.48 1def n ASP 112 Ca -0.15 -1.19 -0.38 0.00 -0.50 0.00 0.00 54.79 52.57 1def n ASP 112 Cb 0.57 -0.10 -0.02 0.00 -1.14 0.00 0.00 41.12 40.42 1def n ASP 112 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1def n ARG 113 N -1.30 4.10 0.03 0.11 0.63 -1.26 -2.52 116.66 116.45 1def n ARG 113 Ca 0.03 -2.88 0.00 0.00 -0.92 0.00 0.00 57.85 54.08 1def n ARG 113 Cb 0.10 -2.65 0.00 0.00 0.45 0.00 0.00 32.46 30.36 1def n ARG 113 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1def n ASP 114 N 2.37 -0.32 0.00 6.15 8.00 -1.26 -5.00 116.55 126.49 1def n ASP 114 Ca 0.67 0.13 0.00 0.00 0.71 0.00 0.00 54.79 56.30 1def n ASP 114 Cb 0.28 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 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 0.44 1.00 2.96 0.44 0.00 -1.05 -4.69 105.19 104.29 1def n GLY 115 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 1.64 -0.08 1.61 1.02 -1.26 -4.67 119.74 118.01 1def s LYS 116 Ca 0.00 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.36 1def s LYS 116 Cb 0.00 -1.55 -0.06 0.00 -0.52 0.00 0.00 37.83 35.70 1def s LYS 116 CO 0.00 -0.15 1.86 -1.25 -0.92 0.00 0.00 175.35 174.89 1def s PRO 117 N 1.30 3.91 -0.11 -1.68 0.04 -1.26 -1.07 135.00 136.13 1def s PRO 117 Ca -0.02 2.23 0.03 0.00 0.04 0.00 0.00 61.00 63.27 1def s PRO 117 Cb -0.14 -4.13 0.01 0.00 0.04 0.00 0.00 34.50 30.28 1def s PRO 117 CO -0.04 -1.19 -0.20 -0.59 0.04 0.00 0.00 177.00 175.03 1def s PHE 118 N 5.14 2.32 -0.45 0.56 -0.71 0.56 -4.79 117.98 120.61 1def s PHE 118 Ca 0.83 -1.06 -0.18 0.00 -1.04 0.00 0.00 56.93 55.48 1def s PHE 118 Cb -0.35 -1.60 0.03 0.00 -1.21 0.00 0.00 43.02 39.89 1def s PHE 118 CO 0.35 -0.49 0.53 -1.83 -1.34 0.00 0.00 175.22 172.44 1def s GLU 119 N 0.72 3.13 0.21 1.99 -1.05 -1.26 0.98 118.70 123.42 1def s GLU 119 Ca -0.11 -0.75 -0.12 0.00 -0.15 0.00 0.00 54.97 53.84 1def s GLU 119 Cb -0.16 -4.01 -0.00 0.00 -0.44 0.00 0.00 34.13 29.52 1def s GLU 119 CO 0.02 -0.99 0.41 -0.51 0.95 0.00 0.00 175.26 175.13 1def s LEU 120 N 2.37 0.51 -0.13 1.83 1.43 -0.49 -4.92 118.68 119.30 1def s LEU 120 Ca 0.14 -0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 52.34 1def s LEU 120 Cb -0.17 1.58 -0.03 0.00 0.03 0.00 0.00 46.19 47.59 1def s LEU 120 CO 0.14 -1.04 0.02 -1.83 0.23 0.00 0.00 176.35 173.87 1def s GLU 121 N -3.99 3.42 -0.12 1.70 1.03 -1.26 0.05 118.70 119.53 1def s GLU 121 Ca 0.20 -0.39 0.01 0.00 0.03 0.00 0.00 54.97 54.82 1def s GLU 121 Cb 0.01 -2.96 0.02 0.00 -0.80 0.00 0.00 34.13 30.40 1def s GLU 121 CO 0.05 0.51 -0.15 0.00 -1.33 0.00 0.00 175.26 174.33 1def s ALA 122 N -0.33 1.76 0.26 -0.84 0.00 -0.60 -4.95 121.76 117.06 1def s ALA 122 Ca 0.07 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1def s ALA 122 Cb -0.12 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1def s ALA 122 CO 0.02 -0.14 0.24 -0.40 0.00 0.00 0.00 175.76 175.48 1def n ASP 123 N 4.32 -0.61 0.00 0.00 5.75 -1.26 -0.32 116.55 124.43 1def n ASP 123 Ca -0.19 -2.67 0.00 0.00 -0.01 0.00 0.00 54.79 51.93 1def n ASP 123 Cb 0.51 1.38 0.00 0.00 -1.03 0.00 0.00 41.12 41.98 1def n ASP 123 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1def n GLY 124 N -0.48 1.67 0.39 6.12 0.00 -1.24 -4.06 105.19 107.58 1def n GLY 124 Ca 0.05 -1.98 0.20 0.00 0.00 0.00 0.00 46.02 44.29 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 0.13 0.00 0.99 4.07 -1.99 -2.48 115.31 116.03 1def h LEU 125 Ca 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1def h LEU 125 Cb 0.00 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 41.72 1def h LEU 125 CO 0.00 0.07 -0.16 -0.07 -1.08 0.00 0.00 178.44 177.20 1def h LEU 126 N 0.14 0.00 -0.65 1.67 3.38 -1.97 0.11 115.31 117.99 1def h LEU 126 Ca 0.31 -0.04 0.22 0.00 0.09 0.00 0.00 57.88 58.46 1def h LEU 126 Cb 1.04 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.67 1def h LEU 126 CO -0.04 0.60 0.15 0.00 0.09 0.00 0.00 178.44 179.24 1def n ALA 127 N -3.02 0.47 0.03 1.53 0.00 -1.17 0.17 120.51 118.52 1def n ALA 127 Ca -0.03 0.68 -0.07 0.00 0.00 0.00 0.00 53.44 54.02 1def n ALA 127 Cb 0.10 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 1def n ALA 127 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1def h ILE 128 N 0.00 0.54 -1.29 0.00 2.04 -1.53 -2.24 117.51 115.03 1def h ILE 128 Ca 0.46 -1.15 0.46 0.00 1.00 0.00 0.00 64.86 65.63 1def h ILE 128 Cb 1.08 0.95 -0.15 0.00 -0.74 0.00 0.00 36.82 37.97 1def h ILE 128 CO -0.56 0.16 0.81 0.00 0.00 0.00 0.00 178.15 178.55 1def n ILE 130 N -4.84 1.74 -0.03 0.00 2.08 0.61 -2.44 119.36 116.48 1def n ILE 130 Ca 0.39 -0.69 0.04 0.00 0.56 0.00 0.00 62.75 63.05 1def n ILE 130 Cb 1.48 -1.55 0.22 0.00 -0.75 0.00 0.00 39.64 39.04 1def n ILE 130 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1def n GLN 131 N -3.37 3.11 -0.03 0.38 0.00 0.18 -2.07 117.38 115.58 1def n GLN 131 Ca -0.28 -1.71 -0.02 0.00 -0.00 0.00 0.00 57.00 54.99 1def n GLN 131 Cb 1.05 -1.92 -0.01 0.00 0.00 0.00 0.00 30.24 29.37 1def n GLN 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1def n HIS 132 N 0.33 0.24 -0.28 3.69 -0.00 0.54 -0.12 115.22 119.62 1def n HIS 132 Ca 0.15 0.11 0.10 0.00 0.46 0.00 0.00 57.72 58.54 1def n HIS 132 Cb 0.77 -0.36 0.21 0.00 -0.12 0.00 0.00 29.99 30.48 1def n HIS 132 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1def n GLU 133 N -3.14 -0.07 -0.03 1.57 1.02 -0.97 0.72 120.64 119.75 1def n GLU 133 Ca -0.03 1.22 -0.07 0.00 -0.02 0.00 0.00 57.16 58.25 1def n GLU 133 Cb 0.12 -1.91 -0.14 0.00 -0.02 0.00 0.00 31.44 29.49 1def n GLU 133 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1def n MET 134 N -5.19 0.64 -0.07 3.49 0.00 -0.88 -2.34 117.12 112.77 1def n MET 134 Ca 0.17 0.23 0.01 0.00 0.00 0.00 0.00 57.70 58.11 1def n MET 134 Cb 0.57 -1.75 0.04 0.00 0.00 0.00 0.00 33.22 32.08 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 -2.96 1.03 -0.11 3.17 9.92 0.22 0.20 116.55 128.02 1def n ASP 135 Ca -0.19 -2.06 -0.19 0.00 -0.53 0.00 0.00 54.79 51.83 1def n ASP 135 Cb 1.04 -0.32 -0.06 0.00 -0.64 0.00 0.00 41.12 41.14 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 -0.08 0.00 -0.05 1.24 8.25 0.15 -1.56 115.22 123.17 1def n HIS 136 Ca 0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.46 1def n HIS 136 Cb 0.23 -0.72 -0.01 0.00 1.12 0.00 0.00 29.99 30.61 1def n HIS 136 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1def h LEU 137 N -0.93 0.00 0.00 2.41 7.12 -0.66 -1.62 115.31 121.63 1def h LEU 137 Ca -0.36 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.65 1def h LEU 137 Cb 1.28 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.41 1def h LEU 137 CO -0.22 0.55 0.00 1.33 -0.13 0.00 0.00 178.44 179.98 1def n VAL 138 N -4.07 0.01 -0.05 1.05 0.24 0.53 -2.09 118.33 113.95 1def n VAL 138 Ca -0.05 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.23 1def n VAL 138 Cb 0.18 -0.56 -0.13 0.00 -1.47 0.00 0.00 33.84 31.86 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 0.80 -0.77 0.00 7.63 0.00 0.02 -4.80 105.19 108.07 1def n GLY 139 Ca 0.21 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.40 0.00 0.00 1.61 2.85 -0.61 -4.84 118.16 114.76 1def n LYS 140 Ca -0.18 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 1def n LYS 140 Cb 0.81 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.19 1def n LYS 140 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1def n LEU 141 N 0.21 0.00 0.00 -5.58 7.94 -1.19 -4.78 117.00 113.60 1def n LEU 141 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1def n LEU 141 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1def n LEU 141 CO 0.00 -0.34 0.00 0.33 -1.11 0.00 0.00 177.39 176.27 1def n PHE 142 N -2.03 0.00 0.00 1.96 7.35 -1.26 -4.48 117.46 118.99 1def n PHE 142 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1def n PHE 142 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1def n PHE 142 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 1def n MET 143 N 0.00 0.00 -1.37 -4.13 2.81 -1.26 -4.70 117.12 108.47 1def n MET 143 Ca 0.00 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.61 1def n MET 143 Cb 0.00 -0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.51 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 -1.19 6.87 -3.09 7.83 8.00 -1.26 -4.37 116.55 129.34 1def n ASP 144 Ca 0.00 -3.37 -0.33 0.00 0.71 0.00 0.00 54.79 51.79 1def n ASP 144 Cb 0.00 -1.11 -0.00 0.00 -0.02 0.00 0.00 41.12 39.98 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 0.18 3.41 0.00 1.24 4.02 -1.26 -3.39 117.16 121.36 1def n TYR 145 Ca 0.47 -3.18 0.00 0.00 -0.01 0.00 0.00 57.90 55.18 1def n TYR 145 Cb 0.52 -0.74 0.00 0.00 -0.02 0.00 0.00 39.34 39.10 1def n TYR 145 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1def n LEU 146 N -0.26 0.00 -0.33 7.72 -0.00 -1.26 -3.19 117.00 119.68 1def n LEU 146 Ca 0.40 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.46 1def n LEU 146 Cb 0.37 0.13 0.03 0.00 -0.00 0.00 0.00 43.42 43.95 1def n LEU 146 CO 0.42 -0.43 0.38 -1.20 -0.00 0.00 0.00 177.39 176.56