#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1def s VAL 2 N 0.00 1.40 0.43 2.46 0.11 -1.25 -4.25 120.40 119.29 1def s VAL 2 Ca 0.00 -2.00 0.08 0.00 -2.93 0.00 0.00 61.98 57.13 1def s VAL 2 Cb 0.00 -2.76 -0.01 0.00 -1.53 0.00 0.00 36.38 32.07 1def s VAL 2 CO 0.00 0.00 0.40 -0.76 -3.33 0.00 0.00 175.10 171.41 1def s LEU 3 N -3.61 3.34 -0.70 2.54 2.01 -1.26 -4.96 118.68 116.04 1def s LEU 3 Ca 0.32 -0.78 0.05 0.00 0.01 0.00 0.00 54.13 53.73 1def s LEU 3 Cb 0.08 -1.99 0.24 0.00 0.01 0.00 0.00 46.19 44.52 1def s LEU 3 CO 0.15 -0.71 0.75 0.00 1.01 0.00 0.00 176.35 177.55 1def n GLN 4 N -1.60 2.53 -2.98 1.70 1.13 -1.26 -5.00 117.38 111.91 1def n GLN 4 Ca 0.04 -4.62 -0.44 0.00 -1.94 0.00 0.00 57.00 50.03 1def n GLN 4 Cb 0.62 -2.29 -0.03 0.00 0.11 0.00 0.00 30.24 28.65 1def n GLN 4 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1def s VAL 5 N -2.24 4.80 0.43 5.09 1.01 -1.26 -4.95 120.40 123.29 1def s VAL 5 Ca 0.35 -1.54 0.07 0.00 0.00 0.00 0.00 61.98 60.87 1def s VAL 5 Cb 0.09 -4.72 -0.01 0.00 0.00 0.00 0.00 36.38 31.74 1def s VAL 5 CO -0.04 -1.42 0.38 -0.76 0.00 0.00 0.00 175.10 173.26 1def s LEU 6 N 2.51 3.30 -0.97 3.92 1.43 -1.26 -3.52 118.68 124.09 1def s LEU 6 Ca 0.29 -0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 52.42 1def s LEU 6 Cb -0.08 -1.92 0.20 0.00 0.03 0.00 0.00 46.19 44.42 1def s LEU 6 CO -0.07 -0.71 1.04 -1.00 0.23 0.00 0.00 176.35 175.84 1def s HIS 7 N -2.52 3.63 0.00 0.29 3.76 0.07 -4.69 115.29 115.84 1def s HIS 7 Ca 0.47 -1.97 0.00 0.00 -0.15 0.00 0.00 55.06 53.41 1def s HIS 7 Cb -0.03 -4.04 0.00 0.00 1.11 0.00 0.00 32.58 29.62 1def s HIS 7 CO 0.27 -1.20 0.00 0.44 -0.85 0.00 0.00 174.74 173.41 1def n ILE 8 N 4.29 0.00 0.00 0.60 -0.00 -1.26 -4.81 119.36 118.18 1def n ILE 8 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.97 1def n ILE 8 Cb 0.46 -0.57 0.00 0.00 -0.00 0.00 0.00 39.64 39.53 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 -2.06 2.36 -2.00 6.28 -0.04 -1.26 -4.96 135.00 133.32 1def n PRO 9 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1def n PRO 9 Cb 0.40 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.89 1def n PRO 9 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1def n ASP 10 N 0.00 5.39 0.09 3.54 8.00 -1.26 -4.52 116.55 127.79 1def n ASP 10 Ca 0.00 -3.75 0.00 0.00 0.71 0.00 0.00 54.79 51.75 1def n ASP 10 Cb 0.00 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 1def n ASP 10 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1def n GLU 11 N -0.69 0.00 -0.06 -1.24 -0.58 -1.26 -4.85 120.64 111.96 1def n GLU 11 Ca 0.46 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 57.22 1def n GLU 11 Cb 0.84 -0.28 0.03 0.00 -0.57 0.00 0.00 31.44 31.47 1def n GLU 11 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1def n ARG 12 N -3.45 -0.01 0.00 3.49 1.85 -0.18 -2.44 116.66 115.91 1def n ARG 12 Ca 0.00 0.26 0.00 0.00 -1.00 0.00 0.00 57.85 57.11 1def n ARG 12 Cb 0.02 -0.41 0.00 0.00 -1.05 0.00 0.00 32.46 31.02 1def n ARG 12 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1def n LEU 13 N -4.16 0.00 -2.78 2.89 4.32 -1.26 -1.12 117.00 114.89 1def n LEU 13 Ca 0.03 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.92 1def n LEU 13 Cb 0.11 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.97 1def n LEU 13 CO -0.02 0.00 0.17 0.54 -1.22 0.00 0.00 177.39 176.87 1def n ARG 14 N -3.47 1.10 -3.36 3.23 5.12 -1.02 -4.97 116.66 113.30 1def n ARG 14 Ca 0.00 -2.50 -0.36 0.00 -1.93 0.00 0.00 57.85 53.06 1def n ARG 14 Cb 0.00 -0.87 -0.06 0.00 -1.16 0.00 0.00 32.46 30.37 1def n ARG 14 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1def s LYS 15 N -1.13 4.00 -0.19 5.56 -0.14 -0.27 -4.77 119.74 122.80 1def s LYS 15 Ca 0.27 0.52 0.00 0.00 -1.36 0.00 0.00 55.97 55.40 1def s LYS 15 Cb 0.38 -2.99 -0.12 0.00 -1.68 0.00 0.00 37.83 33.42 1def s LYS 15 CO -0.04 0.52 -0.18 0.28 -0.76 0.00 0.00 175.35 175.16 1def n VAL 16 N 0.99 1.09 0.00 3.17 0.31 -1.23 -4.78 118.33 117.88 1def n VAL 16 Ca -0.07 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 1def n VAL 16 Cb 0.52 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 1def n VAL 16 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1def n ALA 17 N -3.14 0.00 -3.76 3.52 0.00 -1.26 -4.70 120.51 111.17 1def n ALA 17 Ca -0.34 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.76 1def n ALA 17 Cb 0.85 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.20 1def n ALA 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1def s LYS 18 N -1.80 2.70 0.74 0.00 2.47 -0.68 -4.98 119.74 118.19 1def s LYS 18 Ca 0.00 -2.95 -0.16 0.00 -1.56 0.00 0.00 55.97 51.30 1def s LYS 18 Cb 0.00 -3.69 0.01 0.00 -1.46 0.00 0.00 37.83 32.69 1def s LYS 18 CO 0.00 -1.22 0.89 -0.35 0.16 0.00 0.00 175.35 174.84 1def n PRO 19 N 2.76 0.40 -4.41 4.03 -0.04 -1.26 -4.02 135.00 132.46 1def n PRO 19 Ca 0.14 0.19 -0.20 0.00 -0.04 0.00 0.00 63.50 63.59 1def n PRO 19 Cb 0.36 -2.16 -0.10 0.00 -0.04 0.00 0.00 33.50 31.56 1def n PRO 19 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1def s VAL 20 N -1.89 0.83 0.08 0.52 1.01 -1.26 -4.87 120.40 114.82 1def s VAL 20 Ca 0.71 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1def s VAL 20 Cb -0.33 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1def s VAL 20 CO 0.52 0.00 0.00 1.21 0.00 0.00 0.00 175.10 176.83 1def n GLU 21 N -0.65 0.00 -4.32 2.72 0.00 -1.26 -4.91 120.64 112.22 1def n GLU 21 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.89 1def n GLU 21 Cb 0.66 -0.30 -0.08 0.00 0.00 0.00 0.00 31.44 31.72 1def n GLU 21 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1def s GLU 22 N -2.00 2.11 0.29 5.31 1.03 -1.26 -4.98 118.70 119.19 1def s GLU 22 Ca 0.00 -1.78 0.08 0.00 0.03 0.00 0.00 54.97 53.30 1def s GLU 22 Cb 0.00 -1.93 -0.04 0.00 -0.80 0.00 0.00 34.13 31.36 1def s GLU 22 CO 0.00 0.09 0.15 0.08 -1.33 0.00 0.00 175.26 174.24 1def s VAL 23 N -2.54 3.76 0.00 1.83 1.01 -1.26 -4.99 120.40 118.22 1def s VAL 23 Ca 0.36 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.74 1def s VAL 23 Cb 0.01 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1def s VAL 23 CO 0.20 -0.30 0.00 -0.46 0.00 0.00 0.00 175.10 174.54 1def n ASN 24 N -1.13 0.31 -2.04 3.32 2.04 -1.26 -5.02 115.26 111.48 1def n ASN 24 Ca -0.06 -0.68 -0.09 0.00 -0.44 0.00 0.00 54.58 53.31 1def n ASN 24 Cb 0.59 0.00 0.29 0.00 -2.53 0.00 0.00 39.78 38.13 1def n ASN 24 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1def n ALA 25 N -3.00 4.75 0.06 -2.53 0.00 -1.26 -3.69 120.51 114.84 1def n ALA 25 Ca 0.00 -2.44 0.03 0.00 0.00 0.00 0.00 53.44 51.03 1def n ALA 25 Cb 0.00 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 1def n ALA 25 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1def n GLU 26 N -0.31 1.24 -0.02 0.00 -0.58 -1.26 -4.57 120.64 115.14 1def n GLU 26 Ca 0.44 -0.05 -0.15 0.00 -0.42 0.00 0.00 57.16 56.98 1def n GLU 26 Cb 1.44 -1.08 -0.10 0.00 -0.57 0.00 0.00 31.44 31.13 1def n GLU 26 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1def h ILE 27 N 0.00 1.47 -0.61 -3.67 2.04 -1.89 -3.19 117.51 111.66 1def h ILE 27 Ca 0.00 -1.86 0.12 0.00 1.00 0.00 0.00 64.86 64.12 1def h ILE 27 Cb 0.26 2.53 -0.12 0.00 -0.74 0.00 0.00 36.82 38.75 1def h ILE 27 CO 0.00 0.52 -0.22 -0.61 0.00 0.00 0.00 178.15 177.85 1def h GLN 28 N -0.27 -0.06 -0.63 2.37 -0.00 -1.81 -0.19 115.11 114.51 1def h GLN 28 Ca -0.03 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.68 1def h GLN 28 Cb 1.03 0.01 -0.08 0.00 0.00 0.00 0.00 27.48 28.45 1def h GLN 28 CO 0.07 -0.04 -0.37 0.54 0.00 0.00 0.00 178.83 179.02 1def n ARG 29 N -5.44 -0.28 -0.28 1.69 1.74 -1.21 0.16 116.66 113.05 1def n ARG 29 Ca 0.06 1.11 0.10 0.00 -0.77 0.00 0.00 57.85 58.35 1def n ARG 29 Cb 0.34 -1.63 0.25 0.00 -1.02 0.00 0.00 32.46 30.40 1def n ARG 29 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1def h ILE 30 N 0.00 0.42 0.13 0.55 5.03 -1.08 0.76 117.51 123.32 1def h ILE 30 Ca 0.10 -0.09 -0.01 0.00 -0.12 0.00 0.00 64.86 64.74 1def h ILE 30 Cb 0.26 0.13 0.00 0.00 -3.03 0.00 0.00 36.82 34.18 1def h ILE 30 CO -0.60 0.05 -0.06 0.58 -0.68 0.00 0.00 178.15 177.44 1def h VAL 31 N 0.27 0.97 0.00 1.67 2.07 0.20 0.39 116.25 121.83 1def h VAL 31 Ca 0.50 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1def h VAL 31 Cb 0.94 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1def h VAL 31 CO -0.58 0.10 -0.14 -0.78 0.02 0.00 0.00 177.57 176.19 1def h ASP 32 N -0.38 0.00 0.72 0.57 3.58 -0.20 -2.19 116.42 118.53 1def h ASP 32 Ca -0.02 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.25 1def h ASP 32 Cb 0.30 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1def h ASP 32 CO 0.03 0.14 -0.82 0.44 -2.88 0.00 0.00 179.24 176.15 1def h ASP 33 N 0.00 0.09 0.55 2.28 3.32 0.97 -2.40 116.42 121.23 1def h ASP 33 Ca -0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1def h ASP 33 Cb 0.61 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1def h ASP 33 CO 0.02 0.87 -0.65 0.80 -1.72 0.00 0.00 179.24 178.55 1def n MET 34 N -3.62 0.13 0.07 3.56 1.56 0.13 -1.83 117.12 117.12 1def n MET 34 Ca -0.02 0.02 -0.13 0.00 -0.27 0.00 0.00 57.70 57.30 1def n MET 34 Cb 0.78 -1.56 -0.08 0.00 2.15 0.00 0.00 33.22 34.50 1def n MET 34 CO 0.00 0.00 0.00 0.74 -0.73 0.00 0.00 175.97 175.98 1def h PHE 35 N 0.00 -0.15 -1.00 1.12 -1.00 -1.24 1.88 116.94 116.55 1def h PHE 35 Ca 0.00 -0.00 0.22 0.00 2.81 0.00 0.00 57.97 61.00 1def h PHE 35 Cb 0.60 0.05 -0.11 0.00 3.61 0.00 0.00 35.95 40.11 1def h PHE 35 CO 0.00 0.14 0.62 0.93 -1.61 0.00 0.00 178.31 178.39 1def h GLU 36 N -0.44 0.60 0.00 1.51 5.08 -1.34 -0.99 114.58 119.00 1def h GLU 36 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1def h GLU 36 Cb 0.36 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1def h GLU 36 CO 0.03 0.40 -0.09 1.15 -1.00 0.00 0.00 179.01 179.49 1def h THR 37 N 0.62 0.00 -0.43 1.13 2.02 -0.51 -3.25 112.91 112.49 1def h THR 37 Ca 0.59 -0.20 0.07 0.00 0.77 0.00 0.00 66.41 67.64 1def h THR 37 Cb 1.12 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.46 1def h THR 37 CO -0.37 0.00 -0.15 0.80 0.37 0.00 0.00 175.52 176.16 1def n MET 38 N -2.70 -0.09 0.15 6.66 0.00 0.63 0.18 117.12 121.95 1def n MET 38 Ca -0.01 0.66 -0.16 0.00 -0.00 0.00 0.00 57.70 58.19 1def n MET 38 Cb 0.05 -0.98 -0.10 0.00 0.00 0.00 0.00 33.22 32.18 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 -1.48 -0.67 1.12 -1.99 -1.25 -2.06 116.97 110.64 1def h TYR 39 Ca 0.16 0.03 -0.41 0.00 2.00 0.00 0.00 58.73 60.52 1def h TYR 39 Cb 0.27 0.62 -0.20 0.00 2.00 0.00 0.00 36.73 39.42 1def h TYR 39 CO -0.37 -0.60 0.53 0.00 -0.00 0.00 0.00 178.16 177.72 1def n ALA 40 N -2.89 5.16 -0.01 3.88 0.00 0.47 -4.51 120.51 122.60 1def n ALA 40 Ca -0.09 -2.16 -0.01 0.00 0.00 0.00 0.00 53.44 51.18 1def n ALA 40 Cb 0.42 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.32 0.07 -3.39 0.00 0.00 0.41 -4.66 120.64 112.76 1def n GLU 41 Ca 0.41 0.09 -0.23 0.00 0.00 0.00 0.00 57.16 57.43 1def n GLU 41 Cb 0.89 -0.68 -0.04 0.00 0.00 0.00 0.00 31.44 31.61 1def n GLU 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1def n GLU 42 N -2.71 -1.48 0.00 5.31 -0.58 -1.26 -3.21 120.64 116.72 1def n GLU 42 Ca -0.02 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1def n GLU 42 Cb 0.06 -3.94 0.00 0.00 -0.57 0.00 0.00 31.44 26.99 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 -0.77 2.13 0.26 0.62 0.00 -1.26 -4.88 105.19 101.28 1def n GLY 43 Ca 0.06 -0.75 0.17 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.32 0.00 -0.61 -5.35 -1.20 -4.67 119.36 107.21 1def n ILE 44 Ca 0.00 1.65 0.00 0.00 -0.27 0.00 0.00 62.75 64.13 1def n ILE 44 Cb 0.00 -2.51 0.00 0.00 -1.74 0.00 0.00 39.64 35.39 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 -1.32 0.00 3.27 3.28 0.00 -1.20 -4.55 105.19 104.67 1def n GLY 45 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 1def n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1def s LEU 46 N 0.00 2.21 -1.41 0.99 1.02 -1.26 -4.68 118.68 115.55 1def s LEU 46 Ca 0.00 -0.58 -0.08 0.00 0.02 0.00 0.00 54.13 53.48 1def s LEU 46 Cb 0.00 -0.98 0.06 0.00 0.02 0.00 0.00 46.19 45.30 1def s LEU 46 CO 0.00 0.14 2.44 0.00 0.02 0.00 0.00 176.35 178.94 1def n ALA 47 N 1.58 6.64 -0.25 4.21 0.00 -1.26 -4.49 120.51 126.93 1def n ALA 47 Ca -0.18 -3.96 0.00 0.00 0.00 0.00 0.00 53.44 49.30 1def n ALA 47 Cb 0.53 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 16.93 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 3.05 -0.08 0.00 0.00 0.00 -1.26 -4.26 120.51 117.96 1def n ALA 48 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1def n ALA 48 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.06 0.00 0.00 0.00 5.66 -1.26 -4.69 114.28 113.93 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 -1.52 0.00 -0.05 1.09 6.02 -1.26 -4.89 117.38 116.76 1def n GLN 50 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 1def n GLN 50 Cb 0.00 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.13 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 0.91 0.00 5.09 2.07 -1.94 -0.47 116.25 121.91 1def h VAL 51 Ca 0.00 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1def h VAL 51 Cb 0.00 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1def h VAL 51 CO 0.00 0.57 0.00 -0.67 0.02 0.00 0.00 177.57 177.49 1def n ASP 52 N -4.07 -2.85 -4.21 0.57 2.03 -1.26 -4.37 116.55 102.38 1def n ASP 52 Ca -0.29 0.70 -0.24 0.00 0.52 0.00 0.00 54.79 55.48 1def n ASP 52 Cb 0.82 2.75 -0.14 0.00 -0.72 0.00 0.00 41.12 43.83 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 -1.81 1.48 -0.42 5.18 1.01 -1.26 -5.02 121.20 120.36 1def s ILE 53 Ca 0.00 -1.10 0.09 0.00 0.00 0.00 0.00 60.65 59.64 1def s ILE 53 Cb 0.00 -1.29 0.34 0.00 0.01 0.00 0.00 42.46 41.52 1def s ILE 53 CO 0.00 0.16 1.00 1.41 0.00 0.00 0.00 174.94 177.51 1def n HIS 54 N 1.93 -1.63 -2.26 3.97 -0.00 -1.26 -4.82 115.22 111.15 1def n HIS 54 Ca -0.17 -2.72 -0.14 0.00 -0.00 0.00 0.00 57.72 54.69 1def n HIS 54 Cb 0.54 0.85 0.08 0.00 -0.00 0.00 0.00 29.99 31.45 1def n HIS 54 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1def n GLN 55 N 0.25 -0.00 -0.22 -0.41 6.02 -1.26 -1.68 117.38 120.07 1def n GLN 55 Ca 0.12 -1.49 -0.08 0.00 -0.01 0.00 0.00 57.00 55.54 1def n GLN 55 Cb 0.70 -0.47 0.01 0.00 1.02 0.00 0.00 30.24 31.50 1def n GLN 55 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1def n ARG 56 N -2.18 0.00 -2.29 -1.09 3.00 -1.26 -4.65 116.66 108.18 1def n ARG 56 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1def n ARG 56 Cb 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 32.46 32.58 1def n ARG 56 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1def n ILE 57 N -0.59 -0.32 -2.02 5.15 5.41 -1.26 -4.70 119.36 121.03 1def n ILE 57 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1def n ILE 57 Cb 0.13 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 1def n ILE 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1def n ILE 58 N 2.16 0.00 -4.08 1.39 0.13 0.44 -4.04 119.36 115.35 1def n ILE 58 Ca 0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 62.75 61.55 1def n ILE 58 Cb 0.00 -0.43 -0.09 0.00 -0.84 0.00 0.00 39.64 38.29 1def n ILE 58 CO 0.00 0.00 0.00 0.68 2.80 0.00 0.00 176.55 180.03 1def s VAL 59 N 1.98 0.08 -0.20 9.51 -7.23 -1.26 -0.51 120.40 122.78 1def s VAL 59 Ca 0.00 -1.73 -0.15 0.00 -1.81 0.00 0.00 61.98 58.29 1def s VAL 59 Cb 0.00 -2.01 0.06 0.00 0.56 0.00 0.00 36.38 34.99 1def s VAL 59 CO 0.00 -0.36 0.51 0.27 -0.31 0.00 0.00 175.10 175.21 1def s ILE 60 N -4.03 -0.01 0.01 -0.62 -4.36 -0.57 -4.64 121.20 106.98 1def s ILE 60 Ca 0.23 0.03 0.01 0.00 -0.26 0.00 0.00 60.65 60.66 1def s ILE 60 Cb 0.06 -0.73 -0.01 0.00 1.25 0.00 0.00 42.46 43.03 1def s ILE 60 CO 0.02 0.01 -0.04 -1.81 0.24 0.00 0.00 174.94 173.36 1def s ASP 61 N 0.83 0.50 -0.22 4.36 1.01 -1.26 0.71 116.67 122.60 1def s ASP 61 Ca -0.04 -0.17 0.14 0.00 0.71 0.00 0.00 52.55 53.19 1def s ASP 61 Cb -0.05 -0.03 0.45 0.00 1.01 0.00 0.00 42.92 44.30 1def s ASP 61 CO -0.07 -0.01 1.18 0.52 0.21 0.00 0.00 175.17 177.00 1def n VAL 62 N 2.66 1.81 -2.59 -1.27 0.31 -1.26 -4.85 118.33 113.14 1def n VAL 62 Ca -0.15 -3.19 -0.23 0.00 -0.01 0.00 0.00 64.34 60.76 1def n VAL 62 Cb 0.58 -0.09 0.11 0.00 -0.91 0.00 0.00 33.84 33.53 1def n VAL 62 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1def s SER 63 N -3.28 4.36 -0.03 4.52 1.04 -1.26 -4.15 113.70 114.90 1def s SER 63 Ca 0.40 -0.37 -0.06 0.00 0.48 0.00 0.00 55.95 56.39 1def s SER 63 Cb 0.38 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 1def s SER 63 CO -0.04 -1.85 -0.13 -0.62 0.98 0.00 0.00 173.24 171.57 1def n GLU 64 N -2.82 0.20 0.01 4.02 4.71 -1.26 -4.91 120.64 120.59 1def n GLU 64 Ca 0.15 0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.38 1def n GLU 64 Cb 0.61 -0.85 0.00 0.00 -1.01 0.00 0.00 31.44 30.18 1def n GLU 64 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1def n ASN 65 N -3.78 0.02 -3.31 1.62 4.13 -1.26 -4.96 115.26 107.72 1def n ASN 65 Ca -0.09 0.04 -0.25 0.00 1.68 0.00 0.00 54.58 55.96 1def n ASN 65 Cb 0.29 0.02 -0.08 0.00 -1.54 0.00 0.00 39.78 38.48 1def n ASN 65 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1def n ARG 66 N -2.60 1.59 0.00 3.52 3.00 -1.26 -4.98 116.66 115.92 1def n ARG 66 Ca 0.00 -3.93 0.00 0.00 -0.00 0.00 0.00 57.85 53.92 1def n ARG 66 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 32.46 30.73 1def n ARG 66 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1def n ASP 67 N 1.15 0.00 -0.02 6.15 2.03 -1.26 -4.99 116.55 119.61 1def n ASP 67 Ca 0.25 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1def n ASP 67 Cb 0.47 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.80 1def n ASP 67 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1def n GLU 68 N -2.35 1.38 -0.31 -0.67 0.00 -1.26 -4.94 120.64 112.48 1def n GLU 68 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 57.16 57.04 1def n GLU 68 Cb 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 31.44 30.17 1def n GLU 68 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1def n ARG 69 N -2.09 0.00 -1.64 5.31 0.00 -1.26 -4.61 116.66 112.38 1def n ARG 69 Ca -0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.71 1def n ARG 69 Cb 0.52 -0.27 0.02 0.00 -0.00 0.00 0.00 32.46 32.73 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 1.80 0.00 -4.77 2.89 7.94 0.22 -4.93 117.00 120.14 1def n LEU 70 Ca 0.14 -0.77 -0.28 0.00 -1.11 0.00 0.00 56.01 53.99 1def n LEU 70 Cb 0.01 -0.12 -0.06 0.00 0.53 0.00 0.00 43.42 43.78 1def n LEU 70 CO 0.20 -0.55 -0.16 -0.69 -1.11 0.00 0.00 177.39 175.09 1def s VAL 71 N -0.14 1.72 0.10 1.96 1.01 -1.25 -1.51 120.40 122.29 1def s VAL 71 Ca 0.18 -1.79 -0.04 0.00 0.00 0.00 0.00 61.98 60.33 1def s VAL 71 Cb -0.01 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.88 1def s VAL 71 CO 0.11 0.00 0.21 -0.11 0.00 0.00 0.00 175.10 175.31 1def n LEU 72 N -1.34 0.00 0.00 3.92 7.94 0.33 -4.25 117.00 123.60 1def n LEU 72 Ca -0.08 -0.67 -0.10 0.00 -1.11 0.00 0.00 56.01 54.06 1def n LEU 72 Cb 0.66 1.00 -0.02 0.00 0.53 0.00 0.00 43.42 45.58 1def n LEU 72 CO 0.42 -0.22 -0.07 2.30 -1.11 0.00 0.00 177.39 178.71 1def n ILE 73 N -0.14 0.00 -1.55 1.96 -0.00 -1.26 0.17 119.36 118.53 1def n ILE 73 Ca -0.02 -0.74 0.02 0.00 -0.00 0.00 0.00 62.75 62.01 1def n ILE 73 Cb 0.16 0.17 0.21 0.00 -0.00 0.00 0.00 39.64 40.17 1def n ILE 73 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 1def n ASN 74 N -1.26 1.99 -3.54 7.28 2.04 -1.26 -3.90 115.26 116.61 1def n ASN 74 Ca -0.06 -3.87 -0.23 0.00 -0.44 0.00 0.00 54.58 49.99 1def n ASN 74 Cb 0.20 -0.57 0.21 0.00 -2.53 0.00 0.00 39.78 37.08 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 -1.12 -3.18 -3.90 -0.53 -0.04 -1.26 -4.59 135.00 120.37 1def n PRO 75 Ca 0.25 -0.94 -0.33 0.00 -0.04 0.00 0.00 63.50 62.43 1def n PRO 75 Cb 0.83 -1.67 -0.13 0.00 -0.04 0.00 0.00 33.50 32.48 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 -4.07 1.78 0.54 0.54 8.01 -0.93 -4.87 118.70 119.71 1def s GLU 76 Ca 0.49 -1.95 0.04 0.00 0.01 0.00 0.00 54.97 53.56 1def s GLU 76 Cb -0.09 -3.39 0.05 0.00 -4.31 0.00 0.00 34.13 26.38 1def s GLU 76 CO 0.44 -1.02 0.75 -0.48 0.01 0.00 0.00 175.26 174.96 1def s LEU 77 N 0.85 3.32 0.10 1.80 2.34 -1.26 -1.30 118.68 124.54 1def s LEU 77 Ca 0.11 -0.32 0.00 0.00 0.06 0.00 0.00 54.13 53.98 1def s LEU 77 Cb -0.21 -2.48 0.00 0.00 -0.56 0.00 0.00 46.19 42.94 1def s LEU 77 CO -0.06 -1.17 0.00 -0.11 -1.06 0.00 0.00 176.35 173.96 1def n LEU 78 N -2.25 0.69 -4.69 1.48 7.94 0.61 -4.85 117.00 115.92 1def n LEU 78 Ca 0.10 0.15 -0.23 0.00 -1.11 0.00 0.00 56.01 54.92 1def n LEU 78 Cb 0.60 -0.16 -0.07 0.00 0.53 0.00 0.00 43.42 44.32 1def n LEU 78 CO 0.42 -0.60 -0.25 -0.70 -1.11 0.00 0.00 177.39 175.15 1def s GLU 79 N -2.00 2.30 -0.16 1.96 2.12 0.20 -4.93 118.70 118.18 1def s GLU 79 Ca 0.00 -1.56 -0.07 0.00 0.36 0.00 0.00 54.97 53.70 1def s GLU 79 Cb 0.00 -2.12 0.07 0.00 0.26 0.00 0.00 34.13 32.34 1def s GLU 79 CO 0.00 0.17 0.36 -1.59 -0.54 0.00 0.00 175.26 173.66 1def s LYS 80 N -3.78 0.29 -0.01 4.30 -2.85 -1.26 -0.43 119.74 115.99 1def s LYS 80 Ca 0.36 0.83 0.06 0.00 -1.00 0.00 0.00 55.97 56.21 1def s LYS 80 Cb -0.03 0.08 -0.03 0.00 -2.06 0.00 0.00 37.83 35.79 1def s LYS 80 CO 0.21 -0.22 -0.19 -1.54 0.10 0.00 0.00 175.35 173.71 1def s SER 81 N 2.01 3.63 0.18 0.03 1.04 0.63 -4.96 113.70 116.25 1def s SER 81 Ca -0.04 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1def s SER 81 Cb -0.11 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.41 1def s SER 81 CO -0.11 0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.03 1def n GLY 82 N 2.14 -2.65 2.64 7.32 0.00 -1.26 -0.88 105.19 112.49 1def n GLY 82 Ca -0.17 -1.34 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.10 0.14 0.00 1.61 -6.30 -1.26 -3.99 118.70 105.81 1def s GLU 83 Ca 0.00 -0.11 0.00 0.00 -2.50 0.00 0.00 54.97 52.36 1def s GLU 83 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 34.13 32.71 1def s GLU 83 CO 0.00 -0.77 0.00 0.25 0.02 0.00 0.00 175.26 174.76 1def n THR 84 N 5.29 0.00 0.00 -1.70 -2.24 -1.21 -4.77 114.28 109.65 1def n THR 84 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1def n THR 84 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1def n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1def n GLY 85 N 5.00 2.90 3.12 3.38 0.00 -1.01 -4.34 105.19 114.24 1def n GLY 85 Ca 0.00 -1.97 -0.21 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.07 1.08 -1.03 -0.61 -0.00 -1.26 -4.94 121.20 112.37 1def s ILE 86 Ca 0.00 -0.82 -0.20 0.00 -0.00 0.00 0.00 60.65 59.64 1def s ILE 86 Cb 0.00 -0.95 0.10 0.00 -0.00 0.00 0.00 42.46 41.61 1def s ILE 86 CO 0.00 0.13 1.35 -0.70 -0.00 0.00 0.00 174.94 175.71 1def s GLU 87 N -0.79 3.68 0.00 0.37 2.56 -1.26 -3.59 118.70 119.67 1def s GLU 87 Ca 0.03 -1.61 0.00 0.00 0.00 0.00 0.00 54.97 53.39 1def s GLU 87 Cb -0.07 -5.17 0.00 0.00 2.00 0.00 0.00 34.13 30.89 1def s GLU 87 CO 0.00 -1.99 0.00 -1.91 -0.56 0.00 0.00 175.26 170.80 1def n GLU 88 N 7.57 0.23 0.00 4.30 4.07 0.10 -4.88 120.64 132.03 1def n GLU 88 Ca 0.31 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.41 1def n GLU 88 Cb 0.49 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.87 1def n GLU 88 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1def n GLY 89 N 5.00 -0.56 0.48 8.31 0.00 -1.26 -2.18 105.19 114.98 1def n GLY 89 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.10 0.00 0.00 -1.26 -4.81 117.00 110.83 1def n LEU 91 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 56.00 1def n LEU 91 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.47 1def n LEU 91 CO 0.05 0.00 0.19 -1.20 0.00 0.00 0.00 177.39 176.43 1def n SER 92 N -2.23 -0.26 -4.50 1.96 7.64 -1.23 -4.67 113.62 110.33 1def n SER 92 Ca 0.00 0.59 -0.28 0.00 1.01 0.00 0.00 58.87 60.19 1def n SER 92 Cb 0.00 -0.13 0.24 0.00 -1.01 0.00 0.00 64.21 63.30 1def n SER 92 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1def s ILE 93 N -4.37 1.97 1.29 0.44 -4.36 -1.26 -0.75 121.20 114.17 1def s ILE 93 Ca -0.03 0.00 -0.22 0.00 -0.26 0.00 0.00 60.65 60.14 1def s ILE 93 Cb 0.03 -2.19 0.33 0.00 1.25 0.00 0.00 42.46 41.87 1def s ILE 93 CO 0.15 0.00 0.90 -2.65 0.24 0.00 0.00 174.94 173.59 1def n PRO 94 N -4.77 -4.04 -0.56 0.37 -0.02 -1.26 -4.80 135.00 119.92 1def n PRO 94 Ca 0.04 -1.48 -0.18 0.00 -2.02 0.00 0.00 63.50 59.85 1def n PRO 94 Cb 0.56 -1.68 -0.05 0.00 -0.02 0.00 0.00 33.50 32.30 1def n PRO 94 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1def n GLU 95 N -5.21 0.00 -4.46 -0.52 2.13 -1.26 -4.95 120.64 106.37 1def n GLU 95 Ca 0.13 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.73 1def n GLU 95 Cb 0.56 -0.59 -0.10 0.00 0.27 0.00 0.00 31.44 31.58 1def n GLU 95 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 1def s GLN 96 N 3.15 1.63 -0.22 5.31 0.00 -1.26 -5.02 119.66 123.25 1def s GLN 96 Ca 0.51 -1.86 -0.31 0.00 -0.00 0.00 0.00 55.36 53.71 1def s GLN 96 Cb -0.52 -1.18 0.16 0.00 0.00 0.00 0.00 33.01 31.46 1def s GLN 96 CO 0.21 -0.01 1.20 -0.98 0.00 0.00 0.00 175.29 175.71 1def s ARG 97 N -3.75 0.30 0.00 9.60 3.03 -1.26 -4.31 118.95 122.56 1def s ARG 97 Ca 0.32 0.03 0.00 0.00 2.03 0.00 0.00 55.73 58.10 1def s ARG 97 Cb 0.05 0.14 0.00 0.00 -1.03 0.00 0.00 34.95 34.12 1def s ARG 97 CO 0.14 -0.10 0.00 0.00 -1.13 0.00 0.00 175.30 174.20 1def n ALA 98 N 0.45 0.00 -3.53 7.88 0.00 -0.93 -4.86 120.51 119.52 1def n ALA 98 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.14 1def n ALA 98 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 1def n ALA 98 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1def n LEU 99 N 0.00 2.76 -0.09 0.00 -0.00 -1.24 0.02 117.00 118.46 1def n LEU 99 Ca 0.00 -5.20 -0.06 0.00 -0.00 0.00 0.00 56.01 50.75 1def n LEU 99 Cb 0.00 -0.43 -0.00 0.00 -0.00 0.00 0.00 43.42 42.98 1def n LEU 99 CO 0.00 1.96 0.81 -0.37 -0.00 0.00 0.00 177.39 179.79 1def h VAL 100 N 3.50 0.70 -2.68 1.47 -1.51 -1.89 -3.41 116.25 112.42 1def h VAL 100 Ca 0.17 -0.01 -0.48 0.00 -1.23 0.00 0.00 66.70 65.16 1def h VAL 100 Cb 0.73 0.68 0.23 0.00 -2.13 0.00 0.00 31.29 30.80 1def h VAL 100 CO 0.72 0.00 -0.91 -2.65 -1.23 0.00 0.00 177.57 173.50 1def n PRO 101 N -5.25 -1.18 -2.72 5.19 -0.02 -1.25 -4.70 135.00 125.08 1def n PRO 101 Ca 0.00 -0.32 -0.03 0.00 -2.02 0.00 0.00 63.50 61.13 1def n PRO 101 Cb 0.18 -1.75 0.10 0.00 -0.02 0.00 0.00 33.50 32.00 1def n PRO 101 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1def n ARG 102 N -1.97 1.40 -3.75 -0.52 1.74 -1.26 -2.42 116.66 109.88 1def n ARG 102 Ca 0.03 -2.15 -0.11 0.00 -0.77 0.00 0.00 57.85 54.84 1def n ARG 102 Cb 0.59 -0.37 -0.07 0.00 -1.02 0.00 0.00 32.46 31.59 1def n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1def s ALA 103 N -1.23 -0.68 0.01 7.54 0.00 -1.26 -3.33 121.76 122.80 1def s ALA 103 Ca 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 1def s ALA 103 Cb 0.41 0.33 -0.00 0.00 0.00 0.00 0.00 23.12 23.86 1def s ALA 103 CO -0.08 -0.42 -0.02 0.39 0.00 0.00 0.00 175.76 175.63 1def n GLU 104 N 0.55 0.03 -4.02 0.00 1.02 -0.06 -4.45 120.64 113.71 1def n GLU 104 Ca -0.18 0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.65 1def n GLU 104 Cb 0.60 -0.25 -0.15 0.00 -0.02 0.00 0.00 31.44 31.61 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 -1.25 1.89 -0.21 3.49 1.02 -0.91 -4.29 119.74 119.48 1def s LYS 105 Ca -0.02 -1.34 -0.06 0.00 0.02 0.00 0.00 55.97 54.57 1def s LYS 105 Cb 0.00 -2.84 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 1def s LYS 105 CO 0.02 -0.66 0.04 0.14 -0.92 0.00 0.00 175.35 173.98 1def s VAL 106 N 1.16 4.34 -0.22 3.17 -7.23 0.53 -0.27 120.40 121.88 1def s VAL 106 Ca -0.04 -0.18 -0.09 0.00 -1.81 0.00 0.00 61.98 59.87 1def s VAL 106 Cb -0.19 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 1def s VAL 106 CO -0.07 0.41 0.10 -0.75 -0.31 0.00 0.00 175.10 174.49 1def s LYS 107 N 0.98 3.94 0.58 4.82 2.20 0.43 -0.73 119.74 131.96 1def s LYS 107 Ca 0.03 -0.34 -0.03 0.00 -0.36 0.00 0.00 55.97 55.27 1def s LYS 107 Cb -0.14 -3.37 0.03 0.00 -1.51 0.00 0.00 37.83 32.84 1def s LYS 107 CO 0.02 0.09 0.85 0.96 -0.36 0.00 0.00 175.35 176.91 1def s ILE 108 N 0.92 3.00 -0.28 5.43 -5.25 0.69 -0.28 121.20 125.43 1def s ILE 108 Ca 0.05 -0.39 -0.04 0.00 -0.99 0.00 0.00 60.65 59.29 1def s ILE 108 Cb -0.13 -3.18 0.10 0.00 2.95 0.00 0.00 42.46 42.20 1def s ILE 108 CO 0.03 -0.16 0.14 -0.13 -1.79 0.00 0.00 174.94 173.03 1def s ARG 109 N -4.90 0.19 0.00 0.37 0.52 -0.42 -0.93 118.95 113.78 1def s ARG 109 Ca 0.56 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.31 1def s ARG 109 Cb -0.10 -1.18 0.00 0.00 0.52 0.00 0.00 34.95 34.19 1def s ARG 109 CO 0.41 -0.99 0.00 0.00 0.02 0.00 0.00 175.30 174.74 1def n ALA 110 N 5.26 0.00 -3.31 2.13 0.00 0.19 -2.18 120.51 122.60 1def n ALA 110 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1def n ALA 110 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 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 0.44 0.00 0.00 0.20 -1.26 0.20 118.68 118.26 1def s LEU 111 Ca 0.00 0.50 0.00 0.00 0.69 0.00 0.00 54.13 55.32 1def s LEU 111 Cb 0.00 1.53 0.01 0.00 -0.43 0.00 0.00 46.19 47.30 1def s LEU 111 CO 0.00 -0.35 0.08 -0.90 -0.29 0.00 0.00 176.35 174.89 1def n ASP 112 N 1.88 0.15 -2.24 3.68 5.68 -0.48 -4.10 116.55 121.12 1def n ASP 112 Ca -0.18 -1.12 -0.22 0.00 -0.50 0.00 0.00 54.79 52.78 1def n ASP 112 Cb 0.57 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.47 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 -1.13 2.15 0.00 0.11 1.85 -1.26 -2.96 116.66 115.42 1def n ARG 113 Ca 0.01 -1.94 0.00 0.00 -1.00 0.00 0.00 57.85 54.92 1def n ARG 113 Cb 0.05 -1.94 0.00 0.00 -1.05 0.00 0.00 32.46 29.52 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 0.84 0.12 0.00 2.89 9.92 -1.26 -5.00 116.55 124.06 1def n ASP 114 Ca 0.41 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.67 1def n ASP 114 Cb 0.59 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.07 1def n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1def n GLY 115 N 2.38 0.99 2.87 0.44 0.00 -1.16 -5.13 105.19 105.59 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 0.02 1.30 0.08 1.61 1.02 -1.26 -4.96 119.74 117.55 1def s LYS 116 Ca 0.00 -0.26 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 1def s LYS 116 Cb 0.00 -1.60 -0.09 0.00 -0.52 0.00 0.00 37.83 35.62 1def s LYS 116 CO 0.00 -0.33 1.88 -1.25 -0.92 0.00 0.00 175.35 174.73 1def s PRO 117 N 1.75 4.14 0.53 -1.68 0.04 -1.26 -1.38 135.00 137.13 1def s PRO 117 Ca 0.04 2.58 0.04 0.00 0.04 0.00 0.00 61.00 63.70 1def s PRO 117 Cb -0.13 -3.87 0.04 0.00 0.04 0.00 0.00 34.50 30.58 1def s PRO 117 CO -0.08 -0.89 0.35 1.97 0.04 0.00 0.00 177.00 178.39 1def n PHE 118 N 6.58 -0.40 -3.32 0.56 -1.74 0.54 -4.77 117.46 114.90 1def n PHE 118 Ca 0.19 -2.27 -0.12 0.00 -0.56 0.00 0.00 57.45 54.68 1def n PHE 118 Cb 0.40 -0.42 -0.06 0.00 1.52 0.00 0.00 39.48 40.92 1def n PHE 118 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 1def s GLU 119 N -4.14 0.67 0.15 3.97 2.12 -1.26 0.57 118.70 120.79 1def s GLU 119 Ca 0.27 -0.63 -0.06 0.00 0.36 0.00 0.00 54.97 54.91 1def s GLU 119 Cb -0.02 -0.48 -0.02 0.00 0.26 0.00 0.00 34.13 33.86 1def s GLU 119 CO 0.17 -1.18 0.19 -0.51 -0.54 0.00 0.00 175.26 173.39 1def s LEU 120 N 1.63 1.31 0.06 2.70 1.43 -0.10 -4.92 118.68 120.78 1def s LEU 120 Ca 0.16 -1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.13 1def s LEU 120 Cb -0.12 0.82 -0.06 0.00 0.03 0.00 0.00 46.19 46.86 1def s LEU 120 CO -0.07 -0.82 0.43 -1.83 0.23 0.00 0.00 176.35 174.29 1def s GLU 121 N -4.00 3.85 -0.11 1.70 4.04 -1.26 -0.22 118.70 122.70 1def s GLU 121 Ca 0.20 0.31 0.03 0.00 0.04 0.00 0.00 54.97 55.56 1def s GLU 121 Cb 0.05 -3.07 -0.00 0.00 0.02 0.00 0.00 34.13 31.13 1def s GLU 121 CO 0.01 0.59 -0.23 0.00 -1.84 0.00 0.00 175.26 173.79 1def s ALA 122 N -1.29 2.22 0.28 -0.84 0.00 0.09 -4.93 121.76 117.29 1def s ALA 122 Ca 0.30 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.34 1def s ALA 122 Cb -0.15 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 1def s ALA 122 CO 0.17 0.26 0.27 -0.40 0.00 0.00 0.00 175.76 176.05 1def n ASP 123 N 3.57 -0.69 0.00 0.00 5.75 -1.26 -0.34 116.55 123.58 1def n ASP 123 Ca -0.19 -2.80 0.00 0.00 -0.01 0.00 0.00 54.79 51.79 1def n ASP 123 Cb 0.53 1.53 0.00 0.00 -1.03 0.00 0.00 41.12 42.14 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 -0.52 1.08 0.00 6.12 0.00 -1.26 -4.01 105.19 106.60 1def n GLY 124 Ca 0.06 -2.13 0.09 0.00 0.00 0.00 0.00 46.02 44.03 1def n GLY 124 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1def n LEU 125 N 0.00 0.00 -0.08 0.99 -0.00 -1.26 -2.03 117.00 114.62 1def n LEU 125 Ca 0.00 0.47 -0.13 0.00 -0.00 0.00 0.00 56.01 56.36 1def n LEU 125 Cb 0.00 -0.47 -0.07 0.00 -0.00 0.00 0.00 43.42 42.88 1def n LEU 125 CO 0.00 -0.17 -1.03 0.18 -0.00 0.00 0.00 177.39 176.37 1def n LEU 126 N -1.47 2.50 -0.22 1.47 7.99 -1.26 -0.85 117.00 125.16 1def n LEU 126 Ca 0.05 -0.01 0.02 0.00 -0.01 0.00 0.00 56.01 56.07 1def n LEU 126 Cb 0.21 -0.53 0.12 0.00 -0.11 0.00 0.00 43.42 43.11 1def n LEU 126 CO 0.17 0.65 0.85 0.00 -1.51 0.00 0.00 177.39 177.55 1def h ALA 127 N -0.16 0.69 0.00 -1.18 0.00 -1.69 1.20 119.26 118.11 1def h ALA 127 Ca -0.37 0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 1def h ALA 127 Cb 1.50 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.59 1def h ALA 127 CO -0.11 -0.39 -0.93 0.82 0.00 0.00 0.00 179.25 178.64 1def h ILE 128 N 0.14 1.66 0.00 0.00 2.04 -1.58 -2.40 117.51 117.36 1def h ILE 128 Ca 0.35 -3.21 -0.07 0.00 1.00 0.00 0.00 64.86 62.94 1def h ILE 128 Cb 0.59 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 1def h ILE 128 CO -0.56 0.91 -0.39 0.00 0.00 0.00 0.00 178.15 178.12 1def h ILE 130 N -1.00 1.22 0.13 0.00 2.04 0.98 -0.43 117.51 120.44 1def h ILE 130 Ca -0.10 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1def h ILE 130 Cb 0.97 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1def h ILE 130 CO -0.06 0.31 -0.06 0.06 0.00 0.00 0.00 178.15 178.39 1def h GLN 131 N 0.35 -0.16 -0.10 2.37 3.07 -1.32 -2.65 115.11 116.67 1def h GLN 131 Ca 0.07 0.01 0.01 0.00 0.09 0.00 0.00 58.65 58.83 1def h GLN 131 Cb 0.46 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.05 1def h GLN 131 CO 0.03 0.14 -0.06 1.58 0.09 0.00 0.00 178.83 180.62 1def n HIS 132 N -5.02 -0.04 -0.10 0.06 -0.00 0.31 0.21 115.22 110.63 1def n HIS 132 Ca -0.09 0.12 -0.12 0.00 -0.00 0.00 0.00 57.72 57.63 1def n HIS 132 Cb 0.21 -0.37 -0.07 0.00 -0.00 0.00 0.00 29.99 29.76 1def n HIS 132 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1def h GLU 133 N 0.00 -0.39 -0.01 1.57 5.08 -0.95 2.24 114.58 122.12 1def h GLU 133 Ca 0.02 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1def h GLU 133 Cb 0.04 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1def h GLU 133 CO -0.09 -0.26 -0.05 -0.12 -1.00 0.00 0.00 179.01 177.49 1def n MET 134 N -5.41 1.36 0.00 2.33 0.00 0.42 -2.38 117.12 113.45 1def n MET 134 Ca -0.03 -0.69 0.07 0.00 0.00 0.00 0.00 57.70 57.06 1def n MET 134 Cb 0.35 -1.49 -0.03 0.00 0.00 0.00 0.00 33.22 32.06 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 -0.22 1.28 0.04 6.12 9.92 0.56 -0.59 116.55 133.66 1def n ASP 135 Ca 0.18 -1.14 -0.22 0.00 -0.53 0.00 0.00 54.79 53.08 1def n ASP 135 Cb 0.31 0.65 -0.14 0.00 -0.64 0.00 0.00 41.12 41.29 1def n ASP 135 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 1def h HIS 136 N 1.14 0.56 0.00 1.24 3.86 0.39 -3.34 115.15 119.00 1def h HIS 136 Ca 0.00 -0.41 -0.01 0.00 -1.16 0.00 0.00 60.37 58.79 1def h HIS 136 Cb 0.46 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 1def h HIS 136 CO 0.00 1.60 -0.17 1.25 0.86 0.00 0.00 177.93 181.48 1def h LEU 137 N -0.14 0.00 -1.30 2.43 5.85 -1.49 -3.07 115.31 117.60 1def h LEU 137 Ca -0.32 0.00 0.27 0.00 0.84 0.00 0.00 57.88 58.67 1def h LEU 137 Cb 1.90 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.89 1def h LEU 137 CO 0.11 0.06 1.05 -0.37 -0.34 0.00 0.00 178.44 178.95 1def h VAL 138 N 0.00 0.08 0.00 1.05 -1.51 -0.99 -3.37 116.25 111.51 1def h VAL 138 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1def h VAL 138 Cb 1.05 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1def h VAL 138 CO 0.01 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 1def n GLY 139 N -1.67 -0.68 0.00 5.19 0.00 -1.25 -3.98 105.19 102.79 1def n GLY 139 Ca 0.20 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1def n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1def n LYS 140 N 0.00 3.28 -0.48 1.61 4.76 -0.03 -4.57 118.16 122.73 1def n LYS 140 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1def n LYS 140 Cb 0.00 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.24 1def n LYS 140 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1def n LEU 141 N 0.00 4.67 0.00 -0.35 4.32 -1.26 -4.47 117.00 119.91 1def n LEU 141 Ca 0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 56.01 53.62 1def n LEU 141 Cb 0.00 -0.74 0.00 0.00 -1.62 0.00 0.00 43.42 41.06 1def n LEU 141 CO 0.00 0.80 0.00 0.49 -1.22 0.00 0.00 177.39 177.46 1def n PHE 142 N 0.21 0.00 0.00 -1.77 3.72 -1.26 -4.86 117.46 113.50 1def n PHE 142 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1def n PHE 142 Cb 0.77 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 1def n PHE 142 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1def n MET 143 N 0.00 0.00 -1.65 -1.08 2.81 -1.26 -4.83 117.12 111.10 1def n MET 143 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.58 1def n MET 143 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 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 -1.21 6.84 -3.12 7.83 9.92 -1.26 -4.46 116.55 131.08 1def n ASP 144 Ca 0.00 -3.34 -0.35 0.00 -0.53 0.00 0.00 54.79 50.57 1def n ASP 144 Cb 0.00 -1.21 0.01 0.00 -0.64 0.00 0.00 41.12 39.28 1def n ASP 144 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1def n TYR 145 N 0.65 3.22 0.02 1.24 4.02 -1.26 -4.29 117.16 120.76 1def n TYR 145 Ca 0.51 -2.91 0.00 0.00 -0.01 0.00 0.00 57.90 55.49 1def n TYR 145 Cb 0.45 -0.87 0.00 0.00 -0.02 0.00 0.00 39.34 38.91 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 -0.29 0.28 0.00 7.72 4.77 -1.26 -0.85 117.00 127.37 1def n LEU 146 Ca 0.44 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1def n LEU 146 Cb 0.34 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1def n LEU 146 CO 0.45 -0.27 0.12 -0.24 -1.33 0.00 0.00 177.39 176.11