#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 4.68 -0.12 2.46 0.11 -1.26 -4.81 120.40 121.47 1def s VAL 2 Ca 0.00 0.91 -0.10 0.00 -2.93 0.00 0.00 61.98 59.86 1def s VAL 2 Cb 0.00 -3.85 -0.04 0.00 -1.53 0.00 0.00 36.38 30.96 1def s VAL 2 CO 0.00 -1.10 0.47 0.18 -3.33 0.00 0.00 175.10 171.33 1def n LEU 3 N -2.63 0.19 -2.68 2.54 4.77 -1.26 -4.79 117.00 113.14 1def n LEU 3 Ca 0.06 0.18 -0.34 0.00 -0.03 0.00 0.00 56.01 55.87 1def n LEU 3 Cb 0.54 -0.21 0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1def n LEU 3 CO 0.57 -0.18 1.02 0.00 -1.33 0.00 0.00 177.39 177.47 1def n GLN 4 N 1.60 3.02 -3.92 3.23 6.02 -1.26 -4.86 117.38 121.20 1def n GLN 4 Ca 0.12 -3.86 -0.32 0.00 -0.01 0.00 0.00 57.00 52.93 1def n GLN 4 Cb -0.01 -2.27 -0.13 0.00 1.02 0.00 0.00 30.24 28.85 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 -5.19 2.71 0.00 5.09 1.01 -1.26 -5.07 120.40 117.69 1def s VAL 5 Ca 0.52 -2.89 0.00 0.00 0.00 0.00 0.00 61.98 59.60 1def s VAL 5 Cb 0.43 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1def s VAL 5 CO -0.29 -0.74 0.00 0.18 0.00 0.00 0.00 175.10 174.25 1def n LEU 6 N 3.61 0.00 -1.90 3.92 4.77 -1.26 -4.58 117.00 121.55 1def n LEU 6 Ca 0.05 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.85 1def n LEU 6 Cb 0.36 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.64 1def n LEU 6 CO 0.30 -0.05 1.10 1.41 -1.33 0.00 0.00 177.39 178.83 1def n HIS 7 N -0.09 2.45 0.00 -1.77 8.25 0.75 -4.66 115.22 120.14 1def n HIS 7 Ca 0.00 -1.79 0.00 0.00 -0.26 0.00 0.00 57.72 55.67 1def n HIS 7 Cb 0.00 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.30 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 -1.14 0.00 -0.49 1.59 -5.35 -1.25 -2.31 119.36 110.40 1def n ILE 8 Ca 0.52 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.87 1def n ILE 8 Cb 1.47 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 39.34 1def n ILE 8 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 1def n PRO 9 N 0.00 1.29 -0.53 6.28 -0.02 -1.26 -4.59 135.00 136.17 1def n PRO 9 Ca 0.00 -0.95 0.00 0.00 -2.02 0.00 0.00 63.50 60.53 1def n PRO 9 Cb 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1def n PRO 9 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1def n ASP 10 N 3.93 -0.71 0.00 2.55 8.00 -0.98 -5.15 116.55 124.19 1def n ASP 10 Ca 0.28 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1def n ASP 10 Cb 0.18 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1def n ASP 10 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1def n GLU 11 N -0.10 0.35 -0.33 -1.24 4.07 -0.99 -4.94 120.64 117.45 1def n GLU 11 Ca 0.00 0.00 0.24 0.00 -0.06 0.00 0.00 57.16 57.34 1def n GLU 11 Cb 0.00 0.00 0.48 0.00 -0.06 0.00 0.00 31.44 31.86 1def n GLU 11 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1def h ARG 12 N 0.00 0.29 0.00 5.31 2.47 -1.74 -3.44 114.38 117.26 1def h ARG 12 Ca 0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1def h ARG 12 Cb 0.00 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 1def h ARG 12 CO 0.00 0.19 0.00 1.28 0.56 0.00 0.00 179.97 182.00 1def n LEU 13 N -5.07 0.30 -2.36 3.04 4.77 -1.26 -4.12 117.00 112.30 1def n LEU 13 Ca 0.32 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.27 1def n LEU 13 Cb 1.01 -0.58 0.06 0.00 -2.33 0.00 0.00 43.42 41.58 1def n LEU 13 CO 0.09 -0.15 0.51 0.54 -1.33 0.00 0.00 177.39 177.05 1def n ARG 14 N -0.87 0.67 -3.40 3.23 1.74 -1.26 -5.10 116.66 111.66 1def n ARG 14 Ca 0.00 -0.87 -0.26 0.00 -0.77 0.00 0.00 57.85 55.95 1def n ARG 14 Cb 0.00 0.11 -0.02 0.00 -1.02 0.00 0.00 32.46 31.53 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 0.08 3.54 0.45 5.56 -0.14 -1.26 -5.06 119.74 122.91 1def s LYS 15 Ca 0.08 -0.21 0.05 0.00 -1.36 0.00 0.00 55.97 54.53 1def s LYS 15 Cb 0.22 -2.68 0.05 0.00 -1.68 0.00 0.00 37.83 33.74 1def s LYS 15 CO -0.06 0.21 0.44 0.28 -0.76 0.00 0.00 175.35 175.46 1def n VAL 16 N -1.32 0.00 -4.53 3.17 0.31 -1.26 -3.03 118.33 111.68 1def n VAL 16 Ca -0.04 -1.68 -0.31 0.00 -0.01 0.00 0.00 64.34 62.30 1def n VAL 16 Cb 0.55 -0.30 -0.11 0.00 -0.91 0.00 0.00 33.84 33.07 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 -2.61 2.81 -0.37 3.52 0.00 -1.26 -4.84 121.76 119.01 1def s ALA 17 Ca 0.34 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 1def s ALA 17 Cb -0.03 -0.92 0.09 0.00 0.00 0.00 0.00 23.12 22.27 1def s ALA 17 CO 0.21 0.60 0.13 0.21 0.00 0.00 0.00 175.76 176.91 1def s LYS 18 N -1.52 2.10 0.94 0.00 2.47 -1.24 -4.97 119.74 117.52 1def s LYS 18 Ca 0.16 -1.65 -0.16 0.00 -1.56 0.00 0.00 55.97 52.76 1def s LYS 18 Cb -0.11 -3.43 -0.14 0.00 -1.46 0.00 0.00 37.83 32.68 1def s LYS 18 CO 0.07 -0.92 -0.78 -0.35 0.16 0.00 0.00 175.35 173.53 1def n PRO 19 N 4.58 0.00 -3.75 4.03 -0.04 -1.26 -3.53 135.00 135.02 1def n PRO 19 Ca -0.05 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.05 1def n PRO 19 Cb 0.42 -0.94 -0.07 0.00 -0.04 0.00 0.00 33.50 32.87 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 5.42 0.00 0.52 1.01 -1.26 -4.82 120.40 119.38 1def s VAL 20 Ca 0.38 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1def s VAL 20 Cb -0.16 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1def s VAL 20 CO 0.78 0.51 0.00 -0.62 0.00 0.00 0.00 175.10 175.77 1def n GLU 21 N 2.84 0.00 -4.60 2.72 4.71 -1.26 -4.38 120.64 120.67 1def n GLU 21 Ca -0.17 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 56.70 1def n GLU 21 Cb 0.53 -0.65 -0.08 0.00 -1.01 0.00 0.00 31.44 30.24 1def n GLU 21 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1def s GLU 22 N -1.71 2.06 0.20 3.49 2.02 -1.26 -4.98 118.70 118.52 1def s GLU 22 Ca 0.00 -2.29 0.09 0.00 0.02 0.00 0.00 54.97 52.79 1def s GLU 22 Cb 0.00 -0.83 -0.04 0.00 0.10 0.00 0.00 34.13 33.35 1def s GLU 22 CO 0.00 -0.50 -0.17 0.08 0.02 0.00 0.00 175.26 174.69 1def s VAL 23 N -3.10 1.92 0.00 2.63 1.01 -1.26 -5.02 120.40 116.59 1def s VAL 23 Ca 0.16 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 60.03 1def s VAL 23 Cb 0.01 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1def s VAL 23 CO 0.11 -0.43 0.00 -0.46 0.00 0.00 0.00 175.10 174.32 1def n ASN 24 N -0.12 0.84 -1.90 3.32 0.23 -1.26 -5.03 115.26 111.35 1def n ASN 24 Ca -0.10 -0.92 -0.13 0.00 -0.53 0.00 0.00 54.58 52.90 1def n ASN 24 Cb 0.59 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.48 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 4.65 -0.83 -2.53 0.00 -1.26 -3.48 120.51 114.06 1def n ALA 25 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.30 1def n ALA 25 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.48 0.48 -0.04 0.00 4.07 -1.26 -4.80 120.64 118.60 1def n GLU 26 Ca 0.42 -0.64 -0.22 0.00 -0.06 0.00 0.00 57.16 56.66 1def n GLU 26 Cb 1.34 -0.59 -0.13 0.00 -0.06 0.00 0.00 31.44 32.01 1def n GLU 26 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1def n ILE 27 N -0.08 1.68 -0.32 6.31 2.08 -1.23 -3.99 119.36 123.80 1def n ILE 27 Ca 0.00 -0.38 0.10 0.00 0.56 0.00 0.00 62.75 63.04 1def n ILE 27 Cb 0.44 -1.88 0.22 0.00 -0.75 0.00 0.00 39.64 37.68 1def n ILE 27 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1def h GLN 28 N -0.41 0.03 0.00 0.38 5.75 -1.87 0.16 115.11 119.15 1def h GLN 28 Ca -0.39 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.11 1def h GLN 28 Cb 1.71 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.25 1def h GLN 28 CO -0.05 0.02 0.00 0.54 -2.65 0.00 0.00 178.83 176.69 1def n ARG 29 N -5.48 0.00 -0.29 1.69 5.12 -1.26 0.33 116.66 116.78 1def n ARG 29 Ca 0.19 0.79 0.23 0.00 -1.93 0.00 0.00 57.85 57.14 1def n ARG 29 Cb 0.63 -1.26 0.43 0.00 -1.16 0.00 0.00 32.46 31.11 1def n ARG 29 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1def n ILE 30 N -2.37 -0.37 -0.03 0.55 2.08 0.52 0.20 119.36 119.95 1def n ILE 30 Ca 0.00 1.81 -0.13 0.00 0.56 0.00 0.00 62.75 64.99 1def n ILE 30 Cb 0.00 -2.85 -0.11 0.00 -0.75 0.00 0.00 39.64 35.93 1def n ILE 30 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 1def h VAL 31 N 0.00 1.49 -0.01 1.39 2.07 0.10 0.11 116.25 121.41 1def h VAL 31 Ca 0.67 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1def h VAL 31 Cb 1.69 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.93 1def h VAL 31 CO -0.72 0.39 0.00 -0.67 0.02 0.00 0.00 177.57 176.59 1def n ASP 32 N -4.76 0.48 -0.00 0.57 2.03 0.94 -1.94 116.55 113.87 1def n ASP 32 Ca -0.09 -1.18 0.11 0.00 0.52 0.00 0.00 54.79 54.15 1def n ASP 32 Cb 0.32 -0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.57 1def n ASP 32 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1def n ASP 33 N -0.61 0.10 0.06 1.67 8.00 0.54 -1.60 116.55 124.71 1def n ASP 33 Ca 0.22 -0.03 0.02 0.00 0.71 0.00 0.00 54.79 55.71 1def n ASP 33 Cb 0.19 1.84 -0.05 0.00 -0.02 0.00 0.00 41.12 43.08 1def n ASP 33 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1def h MET 34 N 0.00 0.00 0.30 -1.24 4.05 -0.57 -1.42 114.93 116.05 1def h MET 34 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1def h MET 34 Cb 0.98 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.78 1def h MET 34 CO 0.00 0.28 -0.14 0.74 0.23 0.00 0.00 176.91 178.01 1def h PHE 35 N 0.00 -0.37 -0.97 1.39 0.04 -1.44 1.08 116.94 116.67 1def h PHE 35 Ca -0.12 -0.01 0.24 0.00 2.80 0.00 0.00 57.97 60.89 1def h PHE 35 Cb 1.47 0.12 -0.07 0.00 2.20 0.00 0.00 35.95 39.67 1def h PHE 35 CO 0.00 -0.03 0.65 0.93 -0.60 0.00 0.00 178.31 179.26 1def h GLU 36 N -0.76 0.30 0.00 1.51 5.08 -1.22 0.10 114.58 119.58 1def h GLU 36 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1def h GLU 36 Cb 0.50 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1def h GLU 36 CO 0.07 0.20 -0.01 1.15 -1.00 0.00 0.00 179.01 179.42 1def h THR 37 N 0.31 0.00 0.00 1.13 2.02 -0.75 -2.59 112.91 113.03 1def h THR 37 Ca 0.51 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.63 1def h THR 37 Cb 1.45 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1def h THR 37 CO -0.18 0.00 0.54 0.23 0.37 0.00 0.00 175.52 176.48 1def n MET 38 N -2.23 0.04 -0.11 6.66 2.81 0.37 0.37 117.12 125.02 1def n MET 38 Ca -0.00 0.45 -0.18 0.00 -1.81 0.00 0.00 57.70 56.17 1def n MET 38 Cb 0.00 -2.16 -0.10 0.00 -0.71 0.00 0.00 33.22 30.26 1def n MET 38 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1def n TYR 39 N -1.76 0.00 0.80 2.03 4.01 0.34 -4.71 117.16 117.86 1def n TYR 39 Ca -0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.85 1def n TYR 39 Cb 0.54 -0.86 0.13 0.00 -0.31 0.00 0.00 39.34 38.85 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 -3.35 3.52 -0.07 -0.72 0.00 0.16 -4.82 120.51 115.23 1def n ALA 40 Ca -0.41 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1def n ALA 40 Cb 0.90 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.74 0.00 -2.13 0.00 -0.58 0.76 -4.95 120.64 112.00 1def n GLU 41 Ca 0.04 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 1def n GLU 41 Cb 0.38 -0.25 -0.02 0.00 -0.57 0.00 0.00 31.44 30.99 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 -2.42 -1.98 0.03 3.49 4.71 -1.26 -4.62 120.64 118.60 1def n GLU 42 Ca 0.00 0.60 0.00 0.00 -0.01 0.00 0.00 57.16 57.75 1def n GLU 42 Cb 0.00 -5.09 0.00 0.00 -1.01 0.00 0.00 31.44 25.34 1def n GLU 42 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1def n GLY 43 N -0.63 -0.38 0.06 0.62 0.00 -1.26 -5.00 105.19 98.61 1def n GLY 43 Ca -0.13 0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.71 0.77 0.00 -0.61 -5.35 -1.26 -5.10 119.36 105.10 1def n ILE 44 Ca 0.00 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1def n ILE 44 Cb 0.00 -0.92 0.00 0.00 -1.74 0.00 0.00 39.64 36.98 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 2.72 0.51 3.25 3.28 0.00 -1.26 -4.68 105.19 109.02 1def n GLY 45 Ca -0.22 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 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 2.25 -1.55 0.99 1.02 -1.26 -4.47 118.68 115.66 1def s LEU 46 Ca 0.00 -0.61 -0.12 0.00 0.02 0.00 0.00 54.13 53.42 1def s LEU 46 Cb 0.00 -0.84 -0.04 0.00 0.02 0.00 0.00 46.19 45.34 1def s LEU 46 CO 0.00 0.07 2.65 0.00 0.02 0.00 0.00 176.35 179.08 1def n ALA 47 N 1.40 6.68 -0.69 4.21 0.00 -1.26 -4.53 120.51 126.33 1def n ALA 47 Ca -0.19 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.59 1def n ALA 47 Cb 0.54 -3.44 0.00 0.00 0.00 0.00 0.00 19.45 16.54 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 4.66 0.00 -2.41 0.00 0.00 -1.26 -4.35 120.51 117.17 1def n ALA 48 Ca 0.67 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.89 1def n ALA 48 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1def n ALA 48 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1def s THR 49 N 0.00 4.13 -0.37 0.00 -1.32 -1.26 -4.91 115.64 111.91 1def s THR 49 Ca 0.00 -0.65 0.08 0.00 -1.21 0.00 0.00 61.69 59.91 1def s THR 49 Cb 0.00 -3.49 0.34 0.00 -1.51 0.00 0.00 72.50 67.83 1def s THR 49 CO 0.00 -0.30 1.32 0.00 -2.21 0.00 0.00 174.62 173.44 1def n GLN 50 N -1.92 1.05 -0.13 7.08 3.00 -1.26 -4.90 117.38 120.30 1def n GLN 50 Ca 0.00 -1.51 -0.20 0.00 -0.01 0.00 0.00 57.00 55.28 1def n GLN 50 Cb 0.58 0.04 -0.11 0.00 0.00 0.00 0.00 30.24 30.75 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 -0.73 1.44 0.00 5.09 0.31 -1.26 -3.62 118.33 119.56 1def n VAL 51 Ca -0.09 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1def n VAL 51 Cb 0.82 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 1def n VAL 51 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1def n ASP 52 N -3.44 0.00 -4.41 4.52 2.03 -1.26 -4.27 116.55 109.72 1def n ASP 52 Ca -0.46 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.64 1def n ASP 52 Cb 0.95 0.34 -0.10 0.00 -0.72 0.00 0.00 41.12 41.59 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 -0.90 1.79 0.27 5.18 1.01 -1.26 -4.99 121.20 122.30 1def s ILE 53 Ca 0.00 -2.19 0.01 0.00 0.00 0.00 0.00 60.65 58.48 1def s ILE 53 Cb 0.00 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 1def s ILE 53 CO 0.00 -0.41 0.11 -1.00 0.00 0.00 0.00 174.94 173.64 1def s HIS 54 N -2.93 1.52 0.33 3.97 3.76 -1.26 -4.99 115.29 115.70 1def s HIS 54 Ca 0.27 -1.24 -0.04 0.00 -0.15 0.00 0.00 55.06 53.91 1def s HIS 54 Cb 0.01 -0.87 0.02 0.00 1.11 0.00 0.00 32.58 32.85 1def s HIS 54 CO 0.11 -0.40 0.51 1.04 -0.85 0.00 0.00 174.74 175.14 1def n GLN 55 N -0.48 0.73 -2.90 1.40 6.02 -1.23 -3.68 117.38 117.24 1def n GLN 55 Ca 0.00 -2.49 -0.01 0.00 -0.01 0.00 0.00 57.00 54.49 1def n GLN 55 Cb 0.66 2.51 0.01 0.00 1.02 0.00 0.00 30.24 34.44 1def n GLN 55 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1def s ARG 56 N -2.62 0.61 -0.43 -1.09 6.06 -1.26 -4.65 118.95 115.58 1def s ARG 56 Ca 0.25 -0.40 -0.07 0.00 -2.50 0.00 0.00 55.73 53.01 1def s ARG 56 Cb -0.02 0.02 0.10 0.00 0.06 0.00 0.00 34.95 35.12 1def s ARG 56 CO 0.18 -0.82 0.26 0.42 -2.50 0.00 0.00 175.30 172.84 1def s ILE 57 N 1.49 3.94 0.62 4.11 1.09 -1.26 -3.64 121.20 127.54 1def s ILE 57 Ca 0.20 -1.69 -0.04 0.00 -1.10 0.00 0.00 60.65 58.03 1def s ILE 57 Cb 0.02 -3.53 0.13 0.00 -1.06 0.00 0.00 42.46 38.01 1def s ILE 57 CO -0.09 -0.63 0.85 -0.38 -0.10 0.00 0.00 174.94 174.59 1def n ILE 58 N 4.82 0.00 -3.88 2.92 5.41 0.29 -1.49 119.36 127.44 1def n ILE 58 Ca -0.08 -1.10 -0.09 0.00 1.00 0.00 0.00 62.75 62.48 1def n ILE 58 Cb 0.42 -1.17 -0.08 0.00 -0.71 0.00 0.00 39.64 38.10 1def n ILE 58 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1def s VAL 59 N -2.60 0.14 0.01 1.39 -7.23 -1.26 -0.16 120.40 110.71 1def s VAL 59 Ca 0.53 -1.19 -0.05 0.00 -1.81 0.00 0.00 61.98 59.47 1def s VAL 59 Cb -0.03 -1.27 -0.01 0.00 0.56 0.00 0.00 36.38 35.64 1def s VAL 59 CO 0.36 -0.66 0.07 0.27 -0.31 0.00 0.00 175.10 174.84 1def s ILE 60 N -3.61 0.10 -0.03 -0.62 -4.36 -0.70 -4.63 121.20 107.35 1def s ILE 60 Ca 0.03 -0.82 -0.07 0.00 -0.26 0.00 0.00 60.65 59.53 1def s ILE 60 Cb 0.04 -0.43 0.01 0.00 1.25 0.00 0.00 42.46 43.33 1def s ILE 60 CO -0.10 -0.45 0.16 -1.81 0.24 0.00 0.00 174.94 172.98 1def s ASP 61 N -1.51 -0.07 -0.27 4.36 1.01 -1.26 0.68 116.67 119.60 1def s ASP 61 Ca -0.14 0.05 0.09 0.00 0.71 0.00 0.00 52.55 53.26 1def s ASP 61 Cb -0.08 0.28 0.47 0.00 1.01 0.00 0.00 42.92 44.60 1def s ASP 61 CO -0.00 -0.24 1.37 1.33 0.21 0.00 0.00 175.17 177.84 1def n VAL 62 N 2.12 2.46 -1.10 -1.27 0.24 -1.26 -4.94 118.33 114.58 1def n VAL 62 Ca -0.18 -3.07 -0.37 0.00 -2.04 0.00 0.00 64.34 58.68 1def n VAL 62 Cb 0.57 -0.38 0.04 0.00 -1.47 0.00 0.00 33.84 32.59 1def n VAL 62 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1def n SER 63 N -1.09 -4.54 0.02 -1.34 3.41 -1.26 -4.99 113.62 103.84 1def n SER 63 Ca 0.30 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1def n SER 63 Cb 0.90 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1def n SER 63 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1def n GLU 64 N 1.62 0.00 0.00 4.33 2.13 -1.26 -5.04 120.64 122.43 1def n GLU 64 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1def n GLU 64 Cb 0.52 -0.04 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1def n GLU 64 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1def n ASN 65 N -2.71 0.00 -3.30 4.31 4.13 -1.26 -4.98 115.26 111.45 1def n ASN 65 Ca 0.00 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.01 1def n ASN 65 Cb 0.00 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.17 1def n ASN 65 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1def n ARG 66 N -2.05 1.63 -2.55 3.52 1.85 -1.26 -5.09 116.66 112.71 1def n ARG 66 Ca 0.00 -3.95 -0.12 0.00 -1.00 0.00 0.00 57.85 52.78 1def n ARG 66 Cb 0.00 -1.74 0.00 0.00 -1.05 0.00 0.00 32.46 29.68 1def n ARG 66 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1def n ASP 67 N 1.12 1.76 -4.26 2.89 9.92 -1.26 -5.09 116.55 121.63 1def n ASP 67 Ca 0.26 -1.89 -0.37 0.00 -0.53 0.00 0.00 54.79 52.25 1def n ASP 67 Cb 0.47 -0.04 -0.13 0.00 -0.64 0.00 0.00 41.12 40.79 1def n ASP 67 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1def s GLU 68 N -3.09 2.65 0.59 -1.24 2.02 -1.26 -4.99 118.70 113.38 1def s GLU 68 Ca 0.16 -1.15 -0.17 0.00 0.02 0.00 0.00 54.97 53.83 1def s GLU 68 Cb -0.01 -3.40 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 1def s GLU 68 CO 0.10 -0.63 1.09 1.03 0.02 0.00 0.00 175.26 176.88 1def s ARG 69 N 1.39 3.19 0.47 1.61 1.81 -1.26 -4.78 118.95 121.38 1def s ARG 69 Ca -0.02 1.39 0.06 0.00 -1.72 0.00 0.00 55.73 55.44 1def s ARG 69 Cb -0.19 -2.00 0.08 0.00 -0.45 0.00 0.00 34.95 32.39 1def s ARG 69 CO 0.02 -0.94 0.65 -0.11 -0.68 0.00 0.00 175.30 174.24 1def n LEU 70 N -1.88 0.00 -4.36 2.53 7.94 0.21 -4.95 117.00 116.48 1def n LEU 70 Ca 0.10 -1.88 -0.22 0.00 -1.11 0.00 0.00 56.01 52.90 1def n LEU 70 Cb 0.52 -0.36 -0.11 0.00 0.53 0.00 0.00 43.42 44.00 1def n LEU 70 CO 0.45 -0.71 -0.48 -0.69 -1.11 0.00 0.00 177.39 174.85 1def s VAL 71 N -1.89 1.97 0.21 1.96 1.01 -1.26 -1.72 120.40 120.68 1def s VAL 71 Ca 0.48 -2.03 -0.06 0.00 0.00 0.00 0.00 61.98 60.37 1def s VAL 71 Cb -0.04 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1def s VAL 71 CO 0.31 -0.33 0.27 -0.22 0.00 0.00 0.00 175.10 175.12 1def s LEU 72 N -2.86 0.85 0.00 3.92 1.98 0.78 -4.58 118.68 118.76 1def s LEU 72 Ca 0.19 -1.19 0.00 0.00 -2.89 0.00 0.00 54.13 50.24 1def s LEU 72 Cb -0.05 0.93 0.00 0.00 0.66 0.00 0.00 46.19 47.73 1def s LEU 72 CO 0.08 -0.95 0.00 -0.38 -1.89 0.00 0.00 176.35 173.21 1def n ILE 73 N -0.31 0.00 -2.08 6.68 2.08 -1.26 0.11 119.36 124.58 1def n ILE 73 Ca 0.00 0.00 -0.26 0.00 0.56 0.00 0.00 62.75 63.05 1def n ILE 73 Cb 0.64 0.00 0.02 0.00 -0.75 0.00 0.00 39.64 39.55 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 -0.86 5.22 -2.95 4.38 2.04 -1.24 -4.83 115.26 117.03 1def n ASN 74 Ca 0.00 -3.75 0.00 0.00 -0.44 0.00 0.00 54.58 50.39 1def n ASN 74 Cb 0.00 -0.46 0.00 0.00 -2.53 0.00 0.00 39.78 36.79 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 -0.66 1.17 -3.98 -0.53 -0.04 -1.26 -4.57 135.00 125.12 1def n PRO 75 Ca 0.45 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.59 1def n PRO 75 Cb 0.83 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 34.15 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 -0.67 1.57 0.46 0.54 2.02 -0.98 -4.83 118.70 116.80 1def s GLU 76 Ca 0.00 -1.89 -0.06 0.00 0.02 0.00 0.00 54.97 53.05 1def s GLU 76 Cb 0.00 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 1def s GLU 76 CO 0.00 -0.96 0.76 -1.17 0.02 0.00 0.00 175.26 173.91 1def s LEU 77 N 0.91 3.69 0.04 1.80 0.20 -1.26 -1.07 118.68 123.00 1def s LEU 77 Ca 0.11 0.92 -0.01 0.00 0.69 0.00 0.00 54.13 55.83 1def s LEU 77 Cb -0.20 -3.86 -0.00 0.00 -0.43 0.00 0.00 46.19 41.70 1def s LEU 77 CO -0.07 -0.53 -0.03 -0.11 -0.29 0.00 0.00 176.35 175.33 1def n LEU 78 N -2.06 0.80 -4.47 -0.68 7.94 -0.42 -4.78 117.00 113.33 1def n LEU 78 Ca 0.00 0.11 -0.27 0.00 -1.11 0.00 0.00 56.01 54.75 1def n LEU 78 Cb 0.55 -0.27 -0.11 0.00 0.53 0.00 0.00 43.42 44.12 1def n LEU 78 CO 0.52 -0.63 -0.49 -1.61 -1.11 0.00 0.00 177.39 174.07 1def s GLU 79 N -1.73 1.70 -0.40 1.96 0.41 0.56 -4.95 118.70 116.24 1def s GLU 79 Ca -0.02 -1.48 0.03 0.00 -0.41 0.00 0.00 54.97 53.10 1def s GLU 79 Cb 0.00 -1.93 0.16 0.00 -1.78 0.00 0.00 34.13 30.58 1def s GLU 79 CO 0.03 0.40 0.37 -1.59 -0.49 0.00 0.00 175.26 173.99 1def s LYS 80 N -2.81 0.79 0.42 1.61 -2.85 -1.26 -0.51 119.74 115.13 1def s LYS 80 Ca 0.23 -1.51 -0.13 0.00 -1.00 0.00 0.00 55.97 53.57 1def s LYS 80 Cb -0.08 -1.04 -0.07 0.00 -2.06 0.00 0.00 37.83 34.58 1def s LYS 80 CO 0.12 -1.30 0.82 -1.54 0.10 0.00 0.00 175.35 173.55 1def s SER 81 N 0.71 6.58 0.00 0.03 1.04 0.12 -4.96 113.70 117.22 1def s SER 81 Ca 0.26 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.95 1def s SER 81 Cb -0.07 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1def s SER 81 CO -0.09 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1def n GLY 82 N -1.26 0.00 3.26 7.32 0.00 -1.26 -2.20 105.19 111.05 1def n GLY 82 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.28 1.10 0.24 1.61 4.04 -1.26 0.21 118.70 124.36 1def s GLU 83 Ca 0.00 -1.48 0.00 0.00 0.04 0.00 0.00 54.97 53.53 1def s GLU 83 Cb 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 34.13 33.53 1def s GLU 83 CO 0.00 0.05 0.00 -2.37 -1.84 0.00 0.00 175.26 171.10 1def n THR 84 N -0.23 0.02 0.00 1.83 5.66 -1.24 -4.73 114.28 115.59 1def n THR 84 Ca -0.09 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1def n THR 84 Cb 0.61 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 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 1.53 -2.58 3.18 1.09 0.00 -0.88 -4.86 105.19 102.68 1def n GLY 85 Ca 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.53 0.20 -0.76 -0.61 -0.00 -1.26 -4.90 121.20 110.33 1def s ILE 86 Ca 0.00 -1.94 -0.19 0.00 -0.00 0.00 0.00 60.65 58.52 1def s ILE 86 Cb 0.00 -2.18 0.12 0.00 -0.00 0.00 0.00 42.46 40.41 1def s ILE 86 CO 0.00 -0.35 0.92 -1.83 -0.00 0.00 0.00 174.94 173.68 1def s GLU 87 N -4.05 3.34 0.00 0.37 -1.05 -1.26 -4.06 118.70 111.99 1def s GLU 87 Ca 0.28 -1.54 0.00 0.00 -0.15 0.00 0.00 54.97 53.55 1def s GLU 87 Cb 0.07 -4.53 0.00 0.00 -0.44 0.00 0.00 34.13 29.24 1def s GLU 87 CO 0.05 -1.65 0.00 -0.85 0.95 0.00 0.00 175.26 173.76 1def n GLU 88 N 6.37 1.27 0.00 -4.83 0.00 -0.23 -4.91 120.64 118.31 1def n GLU 88 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1def n GLU 88 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.90 1def n GLU 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1def n GLY 89 N 5.00 0.51 0.63 -1.84 0.00 -1.26 -1.92 105.19 106.31 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 0.00 0.00 -0.00 -1.26 -4.08 117.00 111.66 1def n LEU 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1def n LEU 91 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1def n LEU 91 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 177.39 176.19 1def n SER 92 N -2.22 0.00 -4.49 1.45 7.64 -1.26 -3.44 113.62 111.30 1def n SER 92 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1def n SER 92 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1def n SER 92 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1def s ILE 93 N -4.97 4.89 0.09 0.44 -1.09 -1.26 -0.18 121.20 119.12 1def s ILE 93 Ca 0.00 -0.14 -0.21 0.00 -2.23 0.00 0.00 60.65 58.07 1def s ILE 93 Cb 0.00 -4.20 -0.10 0.00 -1.58 0.00 0.00 42.46 36.58 1def s ILE 93 CO 0.00 -0.62 1.63 1.55 -1.23 0.00 0.00 174.94 176.26 1def h PRO 94 N 8.88 0.25 -2.86 2.79 0.13 -1.78 -3.33 132.00 136.09 1def h PRO 94 Ca -0.26 -0.04 -0.76 0.00 -0.87 0.00 0.00 66.00 64.06 1def h PRO 94 Cb 1.10 -0.04 -0.16 0.00 0.13 0.00 0.00 31.00 32.02 1def h PRO 94 CO 0.89 0.33 1.99 0.39 -0.23 0.00 0.00 178.00 181.37 1def n GLU 95 N -4.86 4.40 -4.04 0.86 4.71 -1.26 -4.77 120.64 115.68 1def n GLU 95 Ca -0.04 -3.72 -0.19 0.00 -0.01 0.00 0.00 57.16 53.20 1def n GLU 95 Cb 0.12 -2.69 -0.07 0.00 -1.01 0.00 0.00 31.44 27.79 1def n GLU 95 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 1def n GLN 96 N 2.10 0.42 0.00 3.49 7.27 -1.23 -4.47 117.38 124.96 1def n GLN 96 Ca 0.51 -3.02 0.00 0.00 0.07 0.00 0.00 57.00 54.56 1def n GLN 96 Cb 0.29 2.30 0.00 0.00 2.41 0.00 0.00 30.24 35.23 1def n GLN 96 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 1def n ARG 97 N -0.62 0.00 0.00 3.69 1.85 -0.78 -4.12 116.66 116.67 1def n ARG 97 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 1def n ARG 97 Cb 0.54 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 1def n ARG 97 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1def n ALA 98 N -0.58 0.00 -2.45 2.89 0.00 -0.81 -2.32 120.51 117.24 1def n ALA 98 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1def n ALA 98 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.75 -0.16 0.00 7.94 -1.26 -1.07 117.00 123.21 1def n LEU 99 Ca 0.00 -2.06 -0.04 0.00 -1.11 0.00 0.00 56.01 52.80 1def n LEU 99 Cb 0.00 0.02 -0.04 0.00 0.53 0.00 0.00 43.42 43.93 1def n LEU 99 CO 0.00 0.66 0.24 1.33 -1.11 0.00 0.00 177.39 178.52 1def n VAL 100 N 0.37 -0.26 -0.58 1.96 0.24 -1.26 -4.22 118.33 114.58 1def n VAL 100 Ca 0.01 1.10 -0.29 0.00 -2.04 0.00 0.00 64.34 63.12 1def n VAL 100 Cb 1.07 -1.38 0.22 0.00 -1.47 0.00 0.00 33.84 32.29 1def n VAL 100 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 1def s PRO 101 N -4.70 -0.22 -0.34 7.34 0.02 -0.92 -4.80 135.00 131.38 1def s PRO 101 Ca -0.05 1.14 0.15 0.00 0.02 0.00 0.00 61.00 62.26 1def s PRO 101 Cb 0.04 -1.61 0.43 0.00 0.02 0.00 0.00 34.50 33.38 1def s PRO 101 CO 0.23 -3.34 1.23 0.54 -0.33 0.00 0.00 177.00 175.33 1def n ARG 102 N -4.69 1.30 -4.25 5.54 1.74 -1.26 -2.06 116.66 112.98 1def n ARG 102 Ca 0.06 -2.41 -0.19 0.00 -0.77 0.00 0.00 57.85 54.54 1def n ARG 102 Cb 0.53 -0.57 -0.11 0.00 -1.02 0.00 0.00 32.46 31.29 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 -1.46 1.56 0.00 7.54 0.00 -1.26 -4.11 121.76 124.03 1def s ALA 103 Ca 0.22 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1def s ALA 103 Cb 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1def s ALA 103 CO -0.05 0.17 0.00 -1.91 0.00 0.00 0.00 175.76 173.97 1def n GLU 104 N 0.72 0.00 -3.59 0.00 2.13 0.13 -3.72 120.64 116.31 1def n GLU 104 Ca -0.17 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.37 1def n GLU 104 Cb 0.56 -0.01 -0.16 0.00 0.27 0.00 0.00 31.44 32.11 1def n GLU 104 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1def s LYS 105 N -1.02 0.26 -0.16 5.31 1.02 -0.94 -4.17 119.74 120.05 1def s LYS 105 Ca 0.00 -0.49 -0.02 0.00 0.02 0.00 0.00 55.97 55.48 1def s LYS 105 Cb 0.00 -1.48 -0.02 0.00 -0.52 0.00 0.00 37.83 35.81 1def s LYS 105 CO 0.00 -0.91 -0.09 0.14 -0.92 0.00 0.00 175.35 173.57 1def s VAL 106 N 2.03 3.29 -0.06 3.17 -7.23 0.34 -0.70 120.40 121.24 1def s VAL 106 Ca 0.07 -0.56 -0.02 0.00 -1.81 0.00 0.00 61.98 59.65 1def s VAL 106 Cb -0.16 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 1def s VAL 106 CO -0.27 0.50 0.05 -0.75 -0.31 0.00 0.00 175.10 174.31 1def s LYS 107 N 0.62 3.07 0.55 4.82 2.20 0.34 -0.12 119.74 131.23 1def s LYS 107 Ca -0.05 -0.39 0.04 0.00 -0.36 0.00 0.00 55.97 55.20 1def s LYS 107 Cb -0.15 -2.88 0.04 0.00 -1.51 0.00 0.00 37.83 33.33 1def s LYS 107 CO 0.03 0.70 0.31 0.44 -0.36 0.00 0.00 175.35 176.46 1def n ILE 108 N 1.77 0.00 -3.98 5.43 -0.00 0.06 -0.33 119.36 122.32 1def n ILE 108 Ca -0.17 -2.29 -0.16 0.00 -0.00 0.00 0.00 62.75 60.12 1def n ILE 108 Cb 0.54 0.12 -0.16 0.00 -0.00 0.00 0.00 39.64 40.14 1def n ILE 108 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 1def s ARG 109 N -4.20 0.32 0.00 6.28 0.52 -0.23 -1.33 118.95 120.31 1def s ARG 109 Ca 0.24 0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.45 1def s ARG 109 Cb -0.02 -0.43 0.00 0.00 0.52 0.00 0.00 34.95 35.02 1def s ARG 109 CO 0.15 -0.07 0.00 0.00 0.02 0.00 0.00 175.30 175.40 1def n ALA 110 N 3.78 0.00 -3.69 2.13 0.00 0.61 -2.33 120.51 121.02 1def n ALA 110 Ca -0.23 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.11 1def n ALA 110 Cb 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.18 0.00 0.00 1.98 -1.26 0.19 118.68 119.41 1def s LEU 111 Ca 0.00 0.91 0.01 0.00 -2.89 0.00 0.00 54.13 52.16 1def s LEU 111 Cb 0.00 1.35 0.09 0.00 0.66 0.00 0.00 46.19 48.29 1def s LEU 111 CO 0.00 -0.20 0.60 -0.90 -1.89 0.00 0.00 176.35 173.96 1def n ASP 112 N 4.43 0.94 -0.26 3.68 5.68 -0.20 -4.80 116.55 126.02 1def n ASP 112 Ca -0.21 -1.76 -0.06 0.00 -0.50 0.00 0.00 54.79 52.26 1def n ASP 112 Cb 0.54 -0.38 0.05 0.00 -1.14 0.00 0.00 41.12 40.20 1def n ASP 112 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1def h ARG 113 N 0.00 1.06 -0.95 0.11 2.43 -1.94 -2.10 114.38 112.99 1def h ARG 113 Ca -0.20 -0.17 0.20 0.00 -0.81 0.00 0.00 59.98 59.01 1def h ARG 113 Cb 0.77 -0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 30.06 1def h ARG 113 CO 0.23 0.84 0.61 0.22 -1.51 0.00 0.00 179.97 180.36 1def h ASP 114 N 1.02 0.52 0.00 -3.80 3.58 -2.01 -3.44 116.42 112.29 1def h ASP 114 Ca 0.25 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1def h ASP 114 Cb 0.15 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1def h ASP 114 CO -0.03 0.19 0.00 0.61 -2.88 0.00 0.00 179.24 177.14 1def n GLY 115 N -1.46 0.89 3.11 -0.78 0.00 -0.79 -5.06 105.19 101.10 1def n GLY 115 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 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 0.23 2.23 -0.29 1.61 -0.14 -1.24 -4.90 119.74 117.24 1def s LYS 116 Ca 0.00 -0.62 -0.29 0.00 -1.36 0.00 0.00 55.97 53.71 1def s LYS 116 Cb 0.00 -1.77 -0.02 0.00 -1.68 0.00 0.00 37.83 34.36 1def s LYS 116 CO 0.00 0.11 1.77 -1.25 -0.76 0.00 0.00 175.35 175.22 1def s PRO 117 N 0.46 3.47 -0.05 -1.68 0.04 -1.26 -1.03 135.00 134.96 1def s PRO 117 Ca -0.15 1.54 0.05 0.00 0.04 0.00 0.00 61.00 62.48 1def s PRO 117 Cb -0.16 -4.16 -0.01 0.00 0.04 0.00 0.00 34.50 30.21 1def s PRO 117 CO 0.06 -1.69 -0.21 -0.59 0.04 0.00 0.00 177.00 174.60 1def s PHE 118 N 6.41 2.07 -0.36 0.56 -0.71 0.50 -4.72 117.98 121.74 1def s PHE 118 Ca 0.79 -0.58 -0.11 0.00 -1.04 0.00 0.00 56.93 55.98 1def s PHE 118 Cb -0.24 -1.37 0.01 0.00 -1.21 0.00 0.00 43.02 40.21 1def s PHE 118 CO 0.33 -0.17 0.21 -2.00 -1.34 0.00 0.00 175.22 172.25 1def s GLU 119 N -0.12 3.05 -0.02 1.99 2.12 -1.26 0.22 118.70 124.69 1def s GLU 119 Ca -0.02 -0.93 -0.17 0.00 0.36 0.00 0.00 54.97 54.21 1def s GLU 119 Cb -0.12 -3.73 0.03 0.00 0.26 0.00 0.00 34.13 30.57 1def s GLU 119 CO 0.02 -0.60 0.35 -0.51 -0.54 0.00 0.00 175.26 173.98 1def s LEU 120 N 1.61 0.68 0.17 2.70 1.43 -0.44 -4.92 118.68 119.91 1def s LEU 120 Ca 0.04 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.14 1def s LEU 120 Cb -0.18 1.41 -0.07 0.00 0.03 0.00 0.00 46.19 47.37 1def s LEU 120 CO 0.07 -0.47 0.59 -1.83 0.23 0.00 0.00 176.35 174.95 1def s GLU 121 N -1.31 4.04 -0.17 1.70 -1.05 -1.26 -0.76 118.70 119.88 1def s GLU 121 Ca -0.13 0.58 0.00 0.00 -0.15 0.00 0.00 54.97 55.27 1def s GLU 121 Cb -0.05 -2.91 0.04 0.00 -0.44 0.00 0.00 34.13 30.78 1def s GLU 121 CO 0.05 0.45 -0.08 0.00 0.95 0.00 0.00 175.26 176.63 1def s ALA 122 N -1.49 1.70 0.32 -0.84 0.00 0.83 -4.91 121.76 117.36 1def s ALA 122 Ca 0.39 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.46 1def s ALA 122 Cb -0.15 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 1def s ALA 122 CO 0.20 -0.74 0.26 -0.40 0.00 0.00 0.00 175.76 175.07 1def n ASP 123 N 4.80 -0.52 0.00 0.00 5.75 -1.26 -0.50 116.55 124.82 1def n ASP 123 Ca -0.13 -3.07 0.00 0.00 -0.01 0.00 0.00 54.79 51.57 1def n ASP 123 Cb 0.48 1.54 0.00 0.00 -1.03 0.00 0.00 41.12 42.10 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 -0.61 1.67 0.35 6.12 0.00 -1.26 -3.93 105.19 107.54 1def n GLY 124 Ca 0.06 -1.93 0.14 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 0.17 0.00 0.99 3.38 -1.98 -2.24 115.31 115.63 1def h LEU 125 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1def h LEU 125 Cb 0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1def h LEU 125 CO 0.00 0.11 -0.85 -0.07 0.09 0.00 0.00 178.44 177.72 1def h LEU 126 N 0.19 0.00 -0.72 1.67 -0.00 -1.97 -1.34 115.31 113.14 1def h LEU 126 Ca 0.22 -0.53 0.07 0.00 -0.00 0.00 0.00 57.88 57.64 1def h LEU 126 Cb 0.60 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.16 1def h LEU 126 CO -0.04 1.26 -0.56 0.00 -0.00 0.00 0.00 178.44 179.10 1def h ALA 127 N -0.47 -0.61 -0.87 1.53 0.00 -1.67 1.64 119.26 118.82 1def h ALA 127 Ca -0.22 0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.90 1def h ALA 127 Cb 1.09 1.23 -0.09 0.00 0.00 0.00 0.00 17.79 20.02 1def h ALA 127 CO -0.13 -0.99 0.48 0.82 0.00 0.00 0.00 179.25 179.43 1def h ILE 128 N -0.18 0.78 -0.01 0.00 2.04 -1.55 -1.57 117.51 117.01 1def h ILE 128 Ca 0.13 -0.24 -0.15 0.00 1.00 0.00 0.00 64.86 65.60 1def h ILE 128 Cb 0.51 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1def h ILE 128 CO -0.78 0.13 -0.71 0.00 0.00 0.00 0.00 178.15 176.79 1def n ILE 130 N -3.72 0.33 0.48 0.00 3.06 0.19 -1.09 119.36 118.62 1def n ILE 130 Ca -0.01 -0.36 0.12 0.00 -2.50 0.00 0.00 62.75 59.99 1def n ILE 130 Cb 0.69 -0.04 0.08 0.00 0.54 0.00 0.00 39.64 40.91 1def n ILE 130 CO 0.00 0.00 0.00 1.67 -2.50 0.00 0.00 176.55 175.72 1def n GLN 131 N -2.23 0.35 0.49 9.51 7.27 -0.62 -2.21 117.38 129.94 1def n GLN 131 Ca 0.01 0.05 -0.19 0.00 0.07 0.00 0.00 57.00 56.95 1def n GLN 131 Cb 0.48 -1.67 -0.09 0.00 2.41 0.00 0.00 30.24 31.37 1def n GLN 131 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1def h HIS 132 N 0.00 -1.15 -0.70 3.69 6.17 0.97 1.97 115.15 126.10 1def h HIS 132 Ca 0.00 -0.03 0.12 0.00 0.71 0.00 0.00 60.37 61.17 1def h HIS 132 Cb 0.79 0.38 -0.13 0.00 2.52 0.00 0.00 27.41 30.97 1def h HIS 132 CO 0.00 -0.72 -0.33 0.93 0.71 0.00 0.00 177.93 178.52 1def h GLU 133 N -1.30 -0.10 -0.00 5.26 5.08 -1.13 2.10 114.58 124.49 1def h GLU 133 Ca -0.13 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1def h GLU 133 Cb 0.95 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1def h GLU 133 CO 0.21 -0.07 -0.38 0.00 -1.00 0.00 0.00 179.01 177.77 1def n MET 134 N -5.45 0.04 -0.15 2.33 0.00 -0.94 -1.98 117.12 110.98 1def n MET 134 Ca 0.06 -0.02 0.08 0.00 0.00 0.00 0.00 57.70 57.82 1def n MET 134 Cb 0.37 -1.50 0.24 0.00 0.00 0.00 0.00 33.22 32.33 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 -1.46 1.85 -0.07 3.17 9.92 0.67 0.23 116.55 130.86 1def n ASP 135 Ca 0.06 -1.90 -0.22 0.00 -0.53 0.00 0.00 54.79 52.21 1def n ASP 135 Cb 0.34 -0.19 -0.12 0.00 -0.64 0.00 0.00 41.12 40.50 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 0.48 1.06 -0.03 1.24 8.25 0.64 -2.17 115.22 124.69 1def n HIS 136 Ca 0.14 0.37 -0.08 0.00 -0.26 0.00 0.00 57.72 57.89 1def n HIS 136 Cb 0.32 -1.12 -0.03 0.00 1.12 0.00 0.00 29.99 30.28 1def n HIS 136 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1def n LEU 137 N -4.13 1.20 0.00 2.41 0.00 -0.49 -3.39 117.00 112.60 1def n LEU 137 Ca -0.33 0.19 0.00 0.00 0.00 0.00 0.00 56.01 55.88 1def n LEU 137 Cb 0.80 -0.44 0.03 0.00 0.00 0.00 0.00 43.42 43.81 1def n LEU 137 CO 0.26 -0.20 0.29 1.33 0.00 0.00 0.00 177.39 179.07 1def n VAL 138 N -3.75 0.00 0.00 1.96 0.24 0.63 -2.67 118.33 114.73 1def n VAL 138 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1def n VAL 138 Cb 0.42 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 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 0.03 0.00 0.00 7.63 0.00 0.43 -4.61 105.19 108.67 1def n GLY 139 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.03 2.86 -1.62 1.61 4.76 -1.09 -4.97 118.16 118.68 1def n LYS 140 Ca 0.00 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 1def n LYS 140 Cb 0.07 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.21 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 7.30 -4.07 -0.35 4.77 -1.26 -4.80 117.00 118.59 1def n LEU 141 Ca 0.00 -4.35 -0.43 0.00 -0.03 0.00 0.00 56.01 51.21 1def n LEU 141 Cb 0.00 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.74 1def n LEU 141 CO 0.00 1.91 1.98 0.33 -1.33 0.00 0.00 177.39 180.29 1def n PHE 142 N 1.79 3.76 0.00 -1.77 7.35 -1.22 -4.23 117.46 123.14 1def n PHE 142 Ca 0.58 -2.97 0.00 0.00 -0.76 0.00 0.00 57.45 54.30 1def n PHE 142 Cb 0.42 -2.22 0.00 0.00 0.35 0.00 0.00 39.48 38.03 1def n PHE 142 CO 0.00 0.00 0.00 -0.12 -0.76 0.00 0.00 176.76 175.88 1def n MET 143 N 5.32 0.00 -0.94 -4.13 1.56 -1.26 -4.80 117.12 112.87 1def n MET 143 Ca 0.43 0.00 -0.20 0.00 -0.27 0.00 0.00 57.70 57.66 1def n MET 143 Cb 0.40 0.00 0.08 0.00 2.15 0.00 0.00 33.22 35.84 1def n MET 143 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1def n ASP 144 N -2.08 5.49 -3.39 6.12 8.00 -1.26 -3.93 116.55 125.50 1def n ASP 144 Ca 0.00 -3.20 -0.38 0.00 0.71 0.00 0.00 54.79 51.92 1def n ASP 144 Cb 0.00 -0.90 0.01 0.00 -0.02 0.00 0.00 41.12 40.21 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 -0.29 3.06 -2.10 1.24 4.02 -1.26 -4.84 117.16 116.99 1def n TYR 145 Ca 0.40 -2.82 -0.07 0.00 -0.01 0.00 0.00 57.90 55.40 1def n TYR 145 Cb 0.88 -1.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.18 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 -0.17 -0.46 -0.65 7.72 7.99 -0.98 -2.34 117.00 128.12 1def n LEU 146 Ca 0.45 -0.12 0.08 0.00 -0.01 0.00 0.00 56.01 56.41 1def n LEU 146 Cb 0.29 -0.34 0.07 0.00 -0.11 0.00 0.00 43.42 43.33 1def n LEU 146 CO 0.48 0.04 0.51 -0.24 -1.51 0.00 0.00 177.39 176.67