#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqr s ARG 2 N 0.00 2.35 0.20 3.17 0.52 -1.26 -4.98 118.95 118.96 1sqr s ARG 2 Ca 0.00 -1.75 -0.06 0.00 -0.52 0.00 0.00 55.73 53.40 1sqr s ARG 2 Cb 0.00 -2.15 -0.02 0.00 0.52 0.00 0.00 34.95 33.29 1sqr s ARG 2 CO 0.00 -0.22 0.27 0.42 0.02 0.00 0.00 175.30 175.79 1sqr s ILE 3 N -2.57 0.02 -0.20 1.52 1.01 -1.26 -5.00 121.20 114.72 1sqr s ILE 3 Ca 0.43 -1.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.31 1sqr s ILE 3 Cb 0.00 -2.26 0.09 0.00 0.01 0.00 0.00 42.46 40.30 1sqr s ILE 3 CO 0.24 -0.08 0.43 -1.59 0.00 0.00 0.00 174.94 173.94 1sqr s LYS 4 N -4.07 0.33 0.33 2.79 -2.85 -1.26 -2.46 119.74 112.55 1sqr s LYS 4 Ca 0.29 1.04 0.04 0.00 -1.00 0.00 0.00 55.97 56.33 1sqr s LYS 4 Cb 0.04 0.33 0.04 0.00 -2.06 0.00 0.00 37.83 36.18 1sqr s LYS 4 CO 0.08 -0.24 0.30 0.41 0.10 0.00 0.00 175.35 176.00 1sqr n GLY 5 N 5.33 2.61 2.86 0.59 0.00 0.05 -2.84 105.19 113.79 1sqr n GLY 5 Ca -0.09 -2.23 -0.13 0.00 0.00 0.00 0.00 46.02 43.57 1sqr n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqr s VAL 6 N -1.45 -0.01 0.41 1.61 1.01 -0.47 -1.13 120.40 120.37 1sqr s VAL 6 Ca 0.23 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.01 1sqr s VAL 6 Cb -0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 36.38 36.24 1sqr s VAL 6 CO 0.15 0.02 1.15 -0.69 0.00 0.00 0.00 175.10 175.72 1sqr s VAL 7 N 0.24 3.23 -0.16 2.92 1.01 -1.26 -2.38 120.40 123.99 1sqr s VAL 7 Ca -0.02 0.99 -0.10 0.00 0.00 0.00 0.00 61.98 62.86 1sqr s VAL 7 Cb -0.03 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 1sqr s VAL 7 CO -0.01 0.06 -0.24 0.18 0.00 0.00 0.00 175.10 175.09 1sqr n LEU 8 N -0.07 1.40 -3.53 3.92 4.77 -1.09 -4.85 117.00 117.54 1sqr n LEU 8 Ca 0.05 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.16 1sqr n LEU 8 Cb 0.47 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1sqr n LEU 8 CO 0.49 0.17 0.66 -0.55 -1.33 0.00 0.00 177.39 176.83 1sqr s SER 9 N -6.48 -0.43 -0.22 -1.43 0.15 -1.25 -5.06 113.70 98.99 1sqr s SER 9 Ca -0.24 0.27 -0.11 0.00 0.70 0.00 0.00 55.95 56.57 1sqr s SER 9 Cb 0.08 0.39 -0.05 0.00 -1.71 0.00 0.00 66.02 64.73 1sqr s SER 9 CO 0.32 -0.54 0.17 -0.72 1.20 0.00 0.00 173.24 173.67 1sqr s TYR 10 N -2.10 3.36 0.28 3.44 -0.85 -1.26 -1.63 117.35 118.59 1sqr s TYR 10 Ca -0.00 0.30 -0.09 0.00 -0.52 0.00 0.00 57.07 56.76 1sqr s TYR 10 Cb -0.01 -2.25 -0.07 0.00 0.38 0.00 0.00 41.96 40.01 1sqr s TYR 10 CO -0.02 0.14 0.60 1.03 -1.52 0.00 0.00 175.55 175.77 1sqr s ARG 11 N 0.83 3.76 -0.78 -3.49 0.52 0.50 -4.94 118.95 115.35 1sqr s ARG 11 Ca 0.09 0.25 0.03 0.00 -0.52 0.00 0.00 55.73 55.57 1sqr s ARG 11 Cb -0.13 -2.59 0.23 0.00 0.52 0.00 0.00 34.95 32.98 1sqr s ARG 11 CO 0.03 0.22 0.78 -2.13 0.02 0.00 0.00 175.30 174.21 1sqr n ARG 12 N -0.58 2.60 -0.80 3.54 0.63 -1.26 -1.74 116.66 119.04 1sqr n ARG 12 Ca 0.00 -4.57 -0.34 0.00 -0.92 0.00 0.00 57.85 52.03 1sqr n ARG 12 Cb 0.53 -2.34 0.12 0.00 0.45 0.00 0.00 32.46 31.22 1sqr n ARG 12 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1sqr n SER 13 N 1.56 -2.88 -3.33 6.15 2.88 -1.26 -4.93 113.62 111.82 1sqr n SER 13 Ca 0.25 0.07 -0.25 0.00 -1.33 0.00 0.00 58.87 57.61 1sqr n SER 13 Cb 0.37 -0.94 -0.09 0.00 -0.75 0.00 0.00 64.21 62.81 1sqr n SER 13 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1sqr n LYS 14 N -0.64 0.28 0.10 -1.46 2.85 -1.26 -4.63 118.16 113.39 1sqr n LYS 14 Ca 0.02 -3.12 0.00 0.00 -1.05 0.00 0.00 58.31 54.16 1sqr n LYS 14 Cb 0.61 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 1sqr n LYS 14 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1sqr n GLU 15 N 2.62 0.00 0.00 -1.58 1.02 -1.26 -5.13 120.64 116.31 1sqr n GLU 15 Ca 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1sqr n GLU 15 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 1sqr n GLU 15 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sqr n ASN 16 N -3.08 0.00 -0.26 1.62 3.02 -1.26 -4.99 115.26 110.31 1sqr n ASN 16 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 1sqr n ASN 16 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1sqr n ASN 16 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sqr n GLN 17 N 0.00 0.83 -0.58 3.52 3.00 -1.26 -4.43 117.38 118.46 1sqr n GLN 17 Ca 0.00 -0.52 -0.01 0.00 -0.01 0.00 0.00 57.00 56.46 1sqr n GLN 17 Cb 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 30.24 28.78 1sqr n GLN 17 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1sqr n HIS 18 N -0.70 0.00 -1.28 1.08 -0.00 -1.26 -5.14 115.22 107.92 1sqr n HIS 18 Ca 0.07 -0.07 -0.40 0.00 -0.00 0.00 0.00 57.72 57.32 1sqr n HIS 18 Cb 0.39 0.23 0.01 0.00 -0.00 0.00 0.00 29.99 30.62 1sqr n HIS 18 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1sqr n ASN 19 N 0.01 -3.19 -3.42 0.26 2.04 -1.26 -5.00 115.26 104.70 1sqr n ASN 19 Ca -0.03 0.72 0.01 0.00 -0.44 0.00 0.00 54.58 54.84 1sqr n ASN 19 Cb 0.56 -0.89 -0.05 0.00 -2.53 0.00 0.00 39.78 36.88 1sqr n ASN 19 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1sqr s ASN 20 N -1.01 -0.45 0.33 0.53 3.84 -1.26 -4.36 114.94 112.56 1sqr s ASN 20 Ca 0.59 0.64 0.09 0.00 0.21 0.00 0.00 52.86 54.39 1sqr s ASN 20 Cb -0.54 1.45 -0.05 0.00 -0.55 0.00 0.00 41.25 41.56 1sqr s ASN 20 CO 0.64 -0.09 -0.01 -0.69 -2.79 0.00 0.00 177.10 174.16 1sqr s VAL 21 N 2.12 2.65 -0.16 -5.21 1.01 -0.71 -4.57 120.40 115.53 1sqr s VAL 21 Ca -0.03 -2.00 -0.14 0.00 0.00 0.00 0.00 61.98 59.80 1sqr s VAL 21 Cb -0.05 -2.77 0.04 0.00 0.00 0.00 0.00 36.38 33.61 1sqr s VAL 21 CO -0.16 -0.22 0.42 0.00 0.00 0.00 0.00 175.10 175.13 1sqr s MET 22 N -3.70 0.47 0.02 2.72 0.23 -0.91 0.19 119.30 118.32 1sqr s MET 22 Ca 0.34 0.62 -0.16 0.00 -1.03 0.00 0.00 55.69 55.46 1sqr s MET 22 Cb -0.01 0.20 -0.06 0.00 -1.53 0.00 0.00 34.83 33.43 1sqr s MET 22 CO 0.19 -0.07 0.46 0.42 -2.03 0.00 0.00 175.02 173.98 1sqr s ILE 23 N 0.41 4.95 0.09 3.16 1.01 -0.65 -1.80 121.20 128.37 1sqr s ILE 23 Ca -0.02 0.95 0.03 0.00 0.00 0.00 0.00 60.65 61.61 1sqr s ILE 23 Cb -0.04 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1sqr s ILE 23 CO -0.02 0.56 -0.08 -0.63 0.00 0.00 0.00 174.94 174.77 1sqr s ILE 24 N -1.01 0.77 -0.09 2.92 1.01 -0.10 -2.68 121.20 122.01 1sqr s ILE 24 Ca 0.25 -1.68 -0.04 0.00 0.00 0.00 0.00 60.65 59.19 1sqr s ILE 24 Cb -0.17 -1.38 0.05 0.00 0.01 0.00 0.00 42.46 40.97 1sqr s ILE 24 CO 0.15 -0.67 0.18 -0.75 0.00 0.00 0.00 174.94 173.85 1sqr s LYS 25 N -3.05 0.06 1.17 2.79 2.20 -1.00 -1.04 119.74 120.87 1sqr s LYS 25 Ca 0.06 0.59 -0.13 0.00 -0.36 0.00 0.00 55.97 56.13 1sqr s LYS 25 Cb -0.01 -0.21 0.29 0.00 -1.51 0.00 0.00 37.83 36.39 1sqr s LYS 25 CO -0.02 -0.29 1.03 -1.25 -0.36 0.00 0.00 175.35 174.46 1sqr s PRO 26 N 2.24 -0.96 0.00 4.03 0.05 -1.26 -1.37 135.00 137.72 1sqr s PRO 26 Ca 0.02 0.84 0.00 0.00 0.05 0.00 0.00 61.00 61.90 1sqr s PRO 26 Cb -0.12 -1.55 0.00 0.00 0.05 0.00 0.00 34.50 32.88 1sqr s PRO 26 CO -0.06 -3.75 0.63 -0.11 0.05 0.00 0.00 177.00 173.75 1sqr n LEU 27 N -4.94 0.00 0.00 -3.56 7.94 -1.13 -4.69 117.00 110.62 1sqr n LEU 27 Ca 0.03 0.63 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 1sqr n LEU 27 Cb 0.54 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.37 1sqr n LEU 27 CO 0.57 -0.13 0.00 -0.90 -1.11 0.00 0.00 177.39 175.83 1sqr n ASP 28 N -1.20 0.00 -4.14 1.96 5.75 -1.26 -4.94 116.55 112.72 1sqr n ASP 28 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.39 1sqr n ASP 28 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 1sqr n ASP 28 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1sqr n VAL 29 N -0.17 -2.30 -0.89 2.12 0.31 -1.26 -4.76 118.33 111.38 1sqr n VAL 29 Ca 0.00 -0.58 -0.15 0.00 -0.01 0.00 0.00 64.34 63.60 1sqr n VAL 29 Cb 0.00 -1.97 0.03 0.00 -0.91 0.00 0.00 33.84 30.99 1sqr n VAL 29 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1sqr n ASN 30 N -2.50 6.35 -3.65 4.52 0.23 -1.25 -3.84 115.26 115.12 1sqr n ASN 30 Ca -0.20 -3.00 -0.06 0.00 -0.53 0.00 0.00 54.58 50.78 1sqr n ASN 30 Cb 0.62 -1.08 -0.07 0.00 -2.08 0.00 0.00 39.78 37.17 1sqr n ASN 30 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1sqr s SER 31 N 0.39 -0.91 0.57 0.53 0.01 -1.24 -4.89 113.70 108.16 1sqr s SER 31 Ca 0.30 1.45 0.28 0.00 1.31 0.00 0.00 55.95 59.29 1sqr s SER 31 Cb 0.23 1.47 1.70 0.00 0.21 0.00 0.00 66.02 69.63 1sqr s SER 31 CO -0.02 -0.23 2.20 -0.09 0.41 0.00 0.00 173.24 175.52 1sqr h ARG 32 N 7.21 0.00 0.18 12.44 2.43 -1.86 0.20 114.38 134.98 1sqr h ARG 32 Ca -0.28 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 1sqr h ARG 32 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1sqr h ARG 32 CO 0.16 0.03 -0.09 0.93 -1.51 0.00 0.00 179.97 179.50 1sqr h GLU 33 N 0.00 -0.23 -0.34 0.20 5.08 -1.97 0.63 114.58 117.95 1sqr h GLU 33 Ca -0.00 0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1sqr h GLU 33 Cb 0.09 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1sqr h GLU 33 CO 0.00 -0.06 -0.38 1.49 -1.00 0.00 0.00 179.01 179.06 1sqr h GLU 34 N -0.36 0.80 0.88 2.33 4.57 -1.73 -2.03 114.58 119.05 1sqr h GLU 34 Ca -0.02 -0.41 -0.04 0.00 -1.18 0.00 0.00 59.36 57.70 1sqr h GLU 34 Cb 0.28 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1sqr h GLU 34 CO 0.04 1.05 -0.46 0.00 -1.18 0.00 0.00 179.01 178.45 1sqr h ALA 35 N 0.90 -1.31 -0.12 2.92 0.00 -0.43 -1.62 119.26 119.61 1sqr h ALA 35 Ca 0.06 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1sqr h ALA 35 Cb 0.94 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1sqr h ALA 35 CO 0.09 -1.24 0.23 1.03 0.00 0.00 0.00 179.25 179.36 1sqr h SER 36 N -1.23 0.00 0.39 0.00 0.87 0.24 -1.40 113.55 112.42 1sqr h SER 36 Ca -0.12 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 1sqr h SER 36 Cb 0.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1sqr h SER 36 CO 0.17 0.00 -0.19 0.50 -0.53 0.00 0.00 176.83 176.79 1sqr h LYS 37 N 0.00 -0.50 0.00 2.24 3.64 -0.57 -3.23 116.57 118.15 1sqr h LYS 37 Ca 0.06 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1sqr h LYS 37 Cb 0.52 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1sqr h LYS 37 CO -0.00 -0.34 0.00 1.47 -2.27 0.00 0.00 179.45 178.31 1sqr n LEU 38 N -4.66 0.00 -4.62 5.20 -0.00 -0.69 -4.87 117.00 107.36 1sqr n LEU 38 Ca -0.06 0.00 -0.47 0.00 -0.00 0.00 0.00 56.01 55.47 1sqr n LEU 38 Cb 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.59 1sqr n LEU 38 CO 0.16 0.00 0.87 0.00 -0.00 0.00 0.00 177.39 178.41 1sqr n ILE 39 N -0.70 0.79 -1.44 1.47 3.06 -0.55 -1.41 119.36 120.58 1sqr n ILE 39 Ca 0.09 -0.20 0.00 0.00 -2.50 0.00 0.00 62.75 60.14 1sqr n ILE 39 Cb 0.04 -1.11 0.00 0.00 0.54 0.00 0.00 39.64 39.11 1sqr n ILE 39 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1sqr n GLY 40 N 2.19 0.44 3.70 4.50 0.00 -1.26 -5.05 105.19 109.71 1sqr n GLY 40 Ca 0.14 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 1sqr n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1sqr s ARG 41 N -2.91 0.34 -0.38 1.61 1.70 -0.50 -4.74 118.95 114.07 1sqr s ARG 41 Ca 0.00 0.32 -0.13 0.00 -0.47 0.00 0.00 55.73 55.45 1sqr s ARG 41 Cb 0.00 -1.74 0.01 0.00 -0.57 0.00 0.00 34.95 32.64 1sqr s ARG 41 CO 0.00 -2.75 0.26 -1.17 -1.08 0.00 0.00 175.30 170.56 1sqr s LEU 42 N -6.41 4.80 -0.23 -1.89 2.96 -1.26 -3.62 118.68 113.04 1sqr s LEU 42 Ca 0.66 -0.73 -0.22 0.00 -0.22 0.00 0.00 54.13 53.63 1sqr s LEU 42 Cb -0.16 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 1sqr s LEU 42 CO 0.56 -0.35 0.68 0.68 -1.32 0.00 0.00 176.35 176.60 1sqr s VAL 43 N 1.67 4.96 -0.36 1.68 -7.23 -1.25 -4.54 120.40 115.34 1sqr s VAL 43 Ca 0.05 1.27 0.03 0.00 -1.81 0.00 0.00 61.98 61.52 1sqr s VAL 43 Cb -0.18 -3.99 0.11 0.00 0.56 0.00 0.00 36.38 32.87 1sqr s VAL 43 CO 0.10 0.03 0.09 -0.22 -0.31 0.00 0.00 175.10 174.79 1sqr s LEU 44 N 2.35 3.98 -0.41 1.32 0.20 -0.26 -2.81 118.68 123.06 1sqr s LEU 44 Ca 0.30 -2.15 -0.14 0.00 0.69 0.00 0.00 54.13 52.83 1sqr s LEU 44 Cb -0.16 -1.41 0.02 0.00 -0.43 0.00 0.00 46.19 44.22 1sqr s LEU 44 CO 0.09 -0.37 0.29 0.86 -0.29 0.00 0.00 176.35 176.93 1sqr s TRP 45 N 0.92 3.24 -0.58 5.38 -0.00 -0.66 -3.16 118.94 124.08 1sqr s TRP 45 Ca 0.12 -0.66 -0.26 0.00 -0.00 0.00 0.00 56.10 55.30 1sqr s TRP 45 Cb -0.20 -2.58 0.04 0.00 -0.00 0.00 0.00 33.47 30.74 1sqr s TRP 45 CO -0.11 -0.60 1.06 -1.59 -0.00 0.00 0.00 176.95 175.70 1sqr s LYS 46 N 1.66 3.37 1.19 5.86 -2.85 -1.26 -2.36 119.74 125.36 1sqr s LYS 46 Ca 0.04 -0.12 -0.16 0.00 -1.00 0.00 0.00 55.97 54.74 1sqr s LYS 46 Cb -0.19 -4.06 0.29 0.00 -2.06 0.00 0.00 37.83 31.80 1sqr s LYS 46 CO 0.09 -1.63 1.03 -1.12 0.10 0.00 0.00 175.35 173.83 1sqr s SER 47 N 3.00 0.84 0.16 0.03 0.01 -1.09 -4.96 113.70 111.70 1sqr s SER 47 Ca 0.35 1.17 0.02 0.00 1.31 0.00 0.00 55.95 58.80 1sqr s SER 47 Cb -0.11 -1.79 -0.01 0.00 0.21 0.00 0.00 66.02 64.33 1sqr s SER 47 CO 0.20 -4.24 1.38 1.55 0.41 0.00 0.00 173.24 172.55 1sqr h PRO 48 N -2.65 0.20 -0.96 12.44 0.14 -1.96 -3.21 132.00 136.01 1sqr h PRO 48 Ca -0.55 -0.22 0.00 0.00 0.14 0.00 0.00 66.00 65.37 1sqr h PRO 48 Cb 1.33 0.06 0.00 0.00 0.14 0.00 0.00 31.00 32.54 1sqr h PRO 48 CO 0.46 0.95 0.00 -1.13 0.14 0.00 0.00 178.00 178.42 1sqr n SER 49 N -3.66 1.22 0.00 1.44 3.41 -1.26 -4.77 113.62 110.00 1sqr n SER 49 Ca -0.04 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1sqr n SER 49 Cb 0.80 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1sqr n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sqr n GLY 50 N 0.11 1.23 3.55 5.00 0.00 -1.21 -4.91 105.19 108.96 1sqr n GLY 50 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1sqr n GLY 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sqr s LYS 51 N -0.15 2.85 -0.44 1.61 2.20 -1.26 -4.85 119.74 119.70 1sqr s LYS 51 Ca 0.00 0.36 -0.26 0.00 -0.36 0.00 0.00 55.97 55.70 1sqr s LYS 51 Cb 0.00 -4.31 0.02 0.00 -1.51 0.00 0.00 37.83 32.04 1sqr s LYS 51 CO 0.00 -2.49 0.98 0.42 -0.36 0.00 0.00 175.35 173.90 1sqr s ILE 52 N 7.85 4.43 -0.06 5.43 -1.09 -1.26 -2.68 121.20 133.82 1sqr s ILE 52 Ca 0.57 0.99 -0.05 0.00 -2.23 0.00 0.00 60.65 59.93 1sqr s ILE 52 Cb -0.11 -4.45 -0.04 0.00 -1.58 0.00 0.00 42.46 36.27 1sqr s ILE 52 CO 0.19 -0.80 0.16 -0.76 -1.23 0.00 0.00 174.94 172.50 1sqr s LEU 53 N 3.86 4.36 -0.20 2.97 1.43 -0.99 -4.99 118.68 125.13 1sqr s LEU 53 Ca 0.40 0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.85 1sqr s LEU 53 Cb -0.10 -2.36 0.10 0.00 0.03 0.00 0.00 46.19 43.86 1sqr s LEU 53 CO 0.26 0.33 0.36 -1.59 0.23 0.00 0.00 176.35 175.94 1sqr s LYS 54 N -1.52 0.28 0.00 1.70 -2.85 -1.26 -1.65 119.74 114.44 1sqr s LYS 54 Ca 0.22 0.77 0.00 0.00 -1.00 0.00 0.00 55.97 55.95 1sqr s LYS 54 Cb -0.12 -0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.55 1sqr s LYS 54 CO 0.12 -0.40 0.00 0.41 0.10 0.00 0.00 175.35 175.58 1sqr n GLY 55 N 5.37 2.59 3.39 0.59 0.00 -1.12 -4.74 105.19 111.27 1sqr n GLY 55 Ca -0.06 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 1sqr n GLY 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sqr s LYS 56 N 3.53 0.50 0.54 1.61 2.47 -1.22 -3.88 119.74 123.30 1sqr s LYS 56 Ca 0.00 0.92 -0.21 0.00 -1.56 0.00 0.00 55.97 55.12 1sqr s LYS 56 Cb 0.00 0.04 -0.05 0.00 -1.46 0.00 0.00 37.83 36.36 1sqr s LYS 56 CO 0.00 -0.15 1.24 0.42 0.16 0.00 0.00 175.35 177.02 1sqr s ILE 57 N 1.43 2.60 -0.17 5.43 1.01 -1.24 -3.67 121.20 126.58 1sqr s ILE 57 Ca -0.09 0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.98 1sqr s ILE 57 Cb -0.07 -3.19 -0.11 0.00 0.01 0.00 0.00 42.46 39.10 1sqr s ILE 57 CO -0.14 -0.04 -0.15 1.33 0.00 0.00 0.00 174.94 175.93 1sqr n VAL 58 N -1.11 0.97 -3.51 2.92 0.24 -0.91 -4.46 118.33 112.48 1sqr n VAL 58 Ca 0.11 -0.36 -0.12 0.00 -2.04 0.00 0.00 64.34 61.93 1sqr n VAL 58 Cb 0.48 -1.13 -0.04 0.00 -1.47 0.00 0.00 33.84 31.68 1sqr n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sqr s ARG 59 N -2.34 0.91 -0.33 7.34 1.70 -1.25 -4.89 118.95 120.09 1sqr s ARG 59 Ca -0.23 -0.09 -0.18 0.00 -0.47 0.00 0.00 55.73 54.76 1sqr s ARG 59 Cb 0.06 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.85 1sqr s ARG 59 CO 0.39 -0.35 0.53 0.54 -1.08 0.00 0.00 175.30 175.33 1sqr s VAL 60 N -2.28 5.01 -0.03 4.99 0.11 -1.26 -1.29 120.40 125.64 1sqr s VAL 60 Ca -0.01 0.54 -0.01 0.00 -2.93 0.00 0.00 61.98 59.56 1sqr s VAL 60 Cb -0.01 -3.94 0.03 0.00 -1.53 0.00 0.00 36.38 30.93 1sqr s VAL 60 CO -0.03 -0.15 0.05 -1.00 -3.33 0.00 0.00 175.10 170.65 1sqr s HIS 61 N 2.43 0.03 0.00 1.54 3.76 -1.20 -4.86 115.29 117.00 1sqr s HIS 61 Ca 0.20 0.23 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 1sqr s HIS 61 Cb -0.15 -0.38 0.00 0.00 1.11 0.00 0.00 32.58 33.16 1sqr s HIS 61 CO 0.12 -0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.27 1sqr n GLY 62 N 4.87 1.06 1.23 -2.22 0.00 -1.26 -4.21 105.19 104.66 1sqr n GLY 62 Ca -0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1sqr n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sqr n THR 63 N 0.00 -0.38 0.00 2.61 -2.24 -1.26 -4.61 114.28 108.40 1sqr n THR 63 Ca 0.00 0.56 0.00 0.00 -2.27 0.00 0.00 64.05 62.34 1sqr n THR 63 Cb 0.00 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 1sqr n THR 63 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1sqr n LYS 64 N -3.90 0.00 0.00 -0.78 4.81 -1.26 -4.37 118.16 112.66 1sqr n LYS 64 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1sqr n LYS 64 Cb 0.58 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.88 1sqr n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sqr n GLY 65 N -1.53 3.55 0.00 3.14 0.00 -1.25 -3.61 105.19 105.49 1sqr n GLY 65 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1sqr n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqr n ALA 66 N 0.00 0.00 -3.53 4.61 0.00 -1.26 -4.90 120.51 115.43 1sqr n ALA 66 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1sqr n ALA 66 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1sqr n ALA 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1sqr s VAL 67 N -1.90 -0.00 0.16 0.00 -7.23 -0.21 -3.21 120.40 108.02 1sqr s VAL 67 Ca 0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.05 1sqr s VAL 67 Cb 0.00 -0.86 -0.07 0.00 0.56 0.00 0.00 36.38 36.01 1sqr s VAL 67 CO 0.00 0.00 0.53 -0.60 -0.31 0.00 0.00 175.10 174.72 1sqr s ARG 68 N 0.43 3.89 0.09 4.82 3.52 -0.41 -0.92 118.95 130.37 1sqr s ARG 68 Ca -0.01 0.38 -0.08 0.00 -0.13 0.00 0.00 55.73 55.89 1sqr s ARG 68 Cb -0.04 -2.85 -0.01 0.00 -1.56 0.00 0.00 34.95 30.49 1sqr s ARG 68 CO -0.01 0.44 0.17 0.00 -0.81 0.00 0.00 175.30 175.09 1sqr s ALA 69 N -1.57 -0.15 -0.12 6.12 0.00 -0.75 -2.14 121.76 123.15 1sqr s ALA 69 Ca 0.40 -0.68 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 1sqr s ALA 69 Cb -0.14 0.47 0.05 0.00 0.00 0.00 0.00 23.12 23.50 1sqr s ALA 69 CO 0.20 -0.50 0.30 0.50 0.00 0.00 0.00 175.76 176.26 1sqr s ARG 70 N -3.87 0.29 0.04 0.00 3.52 -1.24 -2.14 118.95 115.55 1sqr s ARG 70 Ca 0.05 0.58 -0.14 0.00 -0.13 0.00 0.00 55.73 56.10 1sqr s ARG 70 Cb 0.05 -0.04 -0.06 0.00 -1.56 0.00 0.00 34.95 33.34 1sqr s ARG 70 CO -0.11 -0.14 0.43 -0.06 -0.81 0.00 0.00 175.30 174.62 1sqr s PHE 71 N 1.08 3.69 -1.95 5.12 0.40 -1.26 -3.37 117.98 121.69 1sqr s PHE 71 Ca -0.08 0.97 0.04 0.00 -0.60 0.00 0.00 56.93 57.26 1sqr s PHE 71 Cb -0.08 -2.28 0.22 0.00 0.51 0.00 0.00 43.02 41.39 1sqr s PHE 71 CO -0.08 0.59 0.72 -0.85 0.70 0.00 0.00 175.22 176.30 1sqr n GLU 72 N 1.47 0.11 0.12 0.44 0.28 -1.26 -4.20 120.64 117.60 1sqr n GLU 72 Ca -0.11 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1sqr n GLU 72 Cb 0.52 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.89 1sqr n GLU 72 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1sqr n LYS 73 N -1.02 0.00 -0.51 3.44 4.81 -1.26 -5.19 118.16 118.43 1sqr n LYS 73 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1sqr n LYS 73 Cb 0.01 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.06 1sqr n LYS 73 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sqr n GLY 74 N -0.73 0.57 3.97 3.14 0.00 -1.26 -5.01 105.19 105.87 1sqr n GLY 74 Ca 0.00 -1.86 -0.21 0.00 0.00 0.00 0.00 46.02 43.95 1sqr n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqr s LEU 75 N 0.00 3.68 -0.69 0.99 1.43 -1.26 -5.03 118.68 117.80 1sqr s LEU 75 Ca 0.00 0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 52.91 1sqr s LEU 75 Cb 0.00 -2.98 0.01 0.00 0.03 0.00 0.00 46.19 43.25 1sqr s LEU 75 CO 0.00 -0.69 1.50 -2.84 0.23 0.00 0.00 176.35 174.55 1sqr s PRO 76 N -4.47 2.98 0.82 1.29 0.02 -1.26 -4.88 135.00 129.50 1sqr s PRO 76 Ca 0.49 0.07 0.00 0.00 0.02 0.00 0.00 61.00 61.58 1sqr s PRO 76 Cb -0.10 -4.27 0.00 0.00 0.02 0.00 0.00 34.50 30.16 1sqr s PRO 76 CO 0.36 -2.37 0.00 0.41 -0.33 0.00 0.00 177.00 175.06 1sqr n GLY 77 N 5.51 1.98 3.63 0.52 0.00 -1.26 -4.08 105.19 111.48 1sqr n GLY 77 Ca 0.10 0.49 -0.43 0.00 0.00 0.00 0.00 46.02 46.18 1sqr n GLY 77 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sqr s GLN 78 N 0.00 4.00 0.00 1.61 -0.44 -1.26 -4.75 119.66 118.82 1sqr s GLN 78 Ca 0.00 0.90 0.00 0.00 -2.50 0.00 0.00 55.36 53.76 1sqr s GLN 78 Cb 0.00 -3.75 0.00 0.00 -1.64 0.00 0.00 33.01 27.62 1sqr s GLN 78 CO 0.00 -0.88 0.11 0.00 0.50 0.00 0.00 175.29 175.02 1sqr n ALA 79 N 6.76 0.81 -2.07 1.58 0.00 -1.26 -5.09 120.51 121.24 1sqr n ALA 79 Ca 0.10 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1sqr n ALA 79 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 1sqr n ALA 79 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1sqr s LEU 80 N 0.00 4.06 0.00 0.00 2.96 -1.26 -2.25 118.68 122.19 1sqr s LEU 80 Ca 0.00 1.88 0.00 0.00 -0.22 0.00 0.00 54.13 55.79 1sqr s LEU 80 Cb 0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.16 1sqr s LEU 80 CO 0.00 -1.12 0.00 0.61 -1.32 0.00 0.00 176.35 174.52 1sqr n GLY 81 N 4.43 1.47 3.72 7.98 0.00 -1.26 -5.09 105.19 116.44 1sqr n GLY 81 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1sqr n GLY 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sqr s ASP 82 N -1.99 6.80 0.24 1.61 1.01 -0.95 -4.82 116.67 118.57 1sqr s ASP 82 Ca 0.00 2.40 -0.30 0.00 0.71 0.00 0.00 52.55 55.36 1sqr s ASP 82 Cb 0.00 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.24 1sqr s ASP 82 CO 0.00 -0.66 1.36 -0.31 0.21 0.00 0.00 175.17 175.77 1sqr s TYR 83 N 0.87 3.13 0.47 4.23 1.51 -1.26 -4.33 117.35 121.97 1sqr s TYR 83 Ca 0.64 1.19 -0.02 0.00 -1.01 0.00 0.00 57.07 57.87 1sqr s TYR 83 Cb -0.38 -3.69 -0.01 0.00 -0.11 0.00 0.00 41.96 37.77 1sqr s TYR 83 CO 0.33 -2.16 0.73 0.14 -1.11 0.00 0.00 175.55 173.48 1sqr s VAL 84 N -0.19 4.21 -0.06 0.71 -7.23 -0.28 -4.91 120.40 112.65 1sqr s VAL 84 Ca 0.56 -0.26 -0.11 0.00 -1.81 0.00 0.00 61.98 60.36 1sqr s VAL 84 Cb -0.39 -3.59 0.02 0.00 0.56 0.00 0.00 36.38 32.98 1sqr s VAL 84 CO 0.43 -0.48 0.28 -1.61 -0.31 0.00 0.00 175.10 173.40 1sqr s GLU 85 N -4.66 0.48 -1.07 4.82 8.01 -1.26 -0.77 118.70 124.26 1sqr s GLU 85 Ca 0.48 0.07 -0.05 0.00 0.01 0.00 0.00 54.97 55.48 1sqr s GLU 85 Cb -0.10 0.22 0.30 0.00 -4.31 0.00 0.00 34.13 30.23 1sqr s GLU 85 CO 0.40 -0.10 1.33 -0.89 0.01 0.00 0.00 175.26 176.01 1sqr n ILE 86 N 2.10 4.95 1.35 -1.63 -0.00 -1.03 -1.10 119.36 124.00 1sqr n ILE 86 Ca -0.17 -5.73 0.13 0.00 -0.00 0.00 0.00 62.75 56.98 1sqr n ILE 86 Cb 0.57 -2.24 0.40 0.00 -0.00 0.00 0.00 39.64 38.37 1sqr n ILE 86 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07