#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snl s LYS 2 N 0.00 0.84 0.00 3.23 1.02 -1.26 -5.00 119.74 118.57 1snl s LYS 2 Ca 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 55.97 54.08 1snl s LYS 2 Cb 0.00 -1.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.99 1snl s LYS 2 CO 0.00 -1.35 0.00 -1.91 -0.92 0.00 0.00 175.35 171.17 1snl n GLU 3 N 3.08 0.00 -1.65 1.68 2.13 -1.26 -4.80 120.64 119.82 1snl n GLU 3 Ca 0.26 0.00 -0.53 0.00 0.66 0.00 0.00 57.16 57.55 1snl n GLU 3 Cb 0.46 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.11 1snl n GLU 3 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1snl n VAL 4 N 0.00 0.18 0.00 6.31 0.31 -1.26 -4.95 118.33 118.92 1snl n VAL 4 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1snl n VAL 4 Cb 0.00 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1snl n VAL 4 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 1snl n TRP 5 N 4.12 0.00 0.00 3.52 8.01 -1.26 -4.86 117.44 126.97 1snl n TRP 5 Ca 0.22 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.41 1snl n TRP 5 Cb 0.18 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.48 1snl n TRP 5 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1snl n GLU 6 N 0.00 0.00 -3.63 -0.99 4.07 -1.26 -4.97 120.64 113.87 1snl n GLU 6 Ca 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.06 1snl n GLU 6 Cb 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.37 1snl n GLU 6 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1snl s GLU 7 N -0.45 0.80 -0.27 5.31 2.12 -1.26 -5.13 118.70 119.83 1snl s GLU 7 Ca 0.00 -0.39 -0.02 0.00 0.36 0.00 0.00 54.97 54.92 1snl s GLU 7 Cb 0.00 0.31 0.12 0.00 0.26 0.00 0.00 34.13 34.82 1snl s GLU 7 CO 0.00 -0.36 0.22 -0.48 -0.54 0.00 0.00 175.26 174.10 1snl s LEU 8 N -2.69 0.06 -0.89 2.70 2.34 -1.26 -5.05 118.68 113.89 1snl s LEU 8 Ca 0.10 -0.86 -0.26 0.00 0.06 0.00 0.00 54.13 53.17 1snl s LEU 8 Cb -0.00 0.18 -0.22 0.00 -0.56 0.00 0.00 46.19 45.59 1snl s LEU 8 CO -0.03 -0.40 1.96 -0.67 -1.06 0.00 0.00 176.35 176.15 1snl n ASP 9 N 5.29 1.78 -2.46 1.48 2.03 -1.26 -4.27 116.55 119.15 1snl n ASP 9 Ca -0.04 -2.56 -0.01 0.00 0.52 0.00 0.00 54.79 52.70 1snl n ASP 9 Cb 0.45 -1.46 0.07 0.00 -0.72 0.00 0.00 41.12 39.46 1snl n ASP 9 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1snl n GLY 10 N 5.72 1.71 2.85 0.27 0.00 -1.26 -5.07 105.19 109.40 1snl n GLY 10 Ca 0.44 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 1snl n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1snl n LEU 11 N -0.88 -5.67 -4.59 0.99 7.99 -1.26 -4.81 117.00 108.77 1snl n LEU 11 Ca -0.08 1.50 -0.38 0.00 -0.01 0.00 0.00 56.01 57.04 1snl n LEU 11 Cb 0.85 -2.54 0.05 0.00 -0.11 0.00 0.00 43.42 41.67 1snl n LEU 11 CO -0.07 -3.20 0.48 0.47 -1.51 0.00 0.00 177.39 173.56 1snl n ASP 12 N 1.75 0.57 -0.11 -1.43 9.92 -1.26 -4.88 116.55 121.11 1snl n ASP 12 Ca -0.17 0.82 -0.09 0.00 -0.53 0.00 0.00 54.79 54.83 1snl n ASP 12 Cb 0.33 -1.35 -0.01 0.00 -0.64 0.00 0.00 41.12 39.45 1snl n ASP 12 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1snl h PRO 13 N 0.59 0.49 0.00 -0.24 0.13 -1.99 -3.44 132.00 127.53 1snl h PRO 13 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1snl h PRO 13 Cb 1.37 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1snl h PRO 13 CO 0.51 0.35 0.00 -1.71 -0.23 0.00 0.00 178.00 176.92 1snl n ASN 14 N -4.81 -0.93 -4.59 1.44 2.85 -1.26 -5.09 115.26 102.86 1snl n ASN 14 Ca -0.00 0.31 -0.49 0.00 -0.11 0.00 0.00 54.58 54.29 1snl n ASN 14 Cb 0.04 1.05 -0.04 0.00 1.24 0.00 0.00 39.78 42.07 1snl n ASN 14 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1snl n ARG 15 N -2.93 1.26 0.00 1.20 1.85 -1.26 -4.96 116.66 111.81 1snl n ARG 15 Ca 0.00 0.45 0.00 0.00 -1.00 0.00 0.00 57.85 57.30 1snl n ARG 15 Cb 0.00 -1.98 0.00 0.00 -1.05 0.00 0.00 32.46 29.43 1snl n ARG 15 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1snl n PHE 16 N 1.65 0.00 -3.05 2.89 7.35 -1.26 -4.69 117.46 120.36 1snl n PHE 16 Ca 0.15 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.65 1snl n PHE 16 Cb 0.25 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.05 1snl n PHE 16 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1snl n ASN 17 N 0.00 -0.76 0.32 -2.13 3.02 -1.26 -4.95 115.26 109.50 1snl n ASN 17 Ca 0.00 -2.92 0.21 0.00 -0.03 0.00 0.00 54.58 51.84 1snl n ASN 17 Cb 0.00 0.16 1.05 0.00 -0.61 0.00 0.00 39.78 40.37 1snl n ASN 17 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1snl h PRO 18 N 3.91 0.00 -0.81 3.52 0.14 -2.01 -2.82 132.00 133.93 1snl h PRO 18 Ca 0.00 0.00 0.10 0.00 0.14 0.00 0.00 66.00 66.25 1snl h PRO 18 Cb 0.94 0.00 -0.06 0.00 0.14 0.00 0.00 31.00 32.02 1snl h PRO 18 CO 0.42 0.01 0.53 -0.22 0.14 0.00 0.00 178.00 178.87 1snl h LYS 19 N 0.00 0.70 -0.08 0.86 3.64 -2.00 -2.48 116.57 117.21 1snl h LYS 19 Ca -0.00 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 1snl h LYS 19 Cb 0.15 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1snl h LYS 19 CO 0.00 0.46 -0.57 1.15 -2.27 0.00 0.00 179.45 178.22 1snl h THR 20 N 0.72 1.37 -0.71 1.00 2.02 -1.94 -2.92 112.91 112.45 1snl h THR 20 Ca 0.38 -1.91 0.14 0.00 0.77 0.00 0.00 66.41 65.79 1snl h THR 20 Cb 0.50 2.27 -0.05 0.00 -1.74 0.00 0.00 68.15 69.14 1snl h THR 20 CO -0.15 0.57 0.48 0.15 0.37 0.00 0.00 175.52 176.94 1snl h PHE 21 N 0.12 0.46 -0.18 3.16 3.04 -1.60 0.20 116.94 122.14 1snl h PHE 21 Ca -0.05 0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.79 1snl h PHE 21 Cb 1.23 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.58 1snl h PHE 21 CO 0.12 0.19 -0.44 0.35 -2.02 0.00 0.00 178.31 176.50 1snl h PHE 22 N 0.40 0.51 0.39 0.41 3.04 -1.37 -2.66 116.94 117.67 1snl h PHE 22 Ca 0.34 -0.15 -0.02 0.00 3.98 0.00 0.00 57.97 62.12 1snl h PHE 22 Cb 0.78 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.18 1snl h PHE 22 CO -0.00 0.80 -0.19 0.82 -2.02 0.00 0.00 178.31 177.72 1snl h ILE 23 N 0.35 0.00 -1.09 1.41 2.04 -0.47 -2.46 117.51 117.30 1snl h ILE 23 Ca 0.03 -0.55 0.32 0.00 1.00 0.00 0.00 64.86 65.65 1snl h ILE 23 Cb 0.92 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.87 1snl h ILE 23 CO 0.08 0.00 0.67 0.25 0.00 0.00 0.00 178.15 179.15 1snl h LEU 24 N -1.07 0.45 -0.06 1.44 5.85 -1.30 1.01 115.31 121.62 1snl h LEU 24 Ca -0.05 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1snl h LEU 24 Cb 0.40 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1snl h LEU 24 CO 0.09 -0.04 0.00 0.45 -0.34 0.00 0.00 178.44 178.59 1snl h HIS 25 N 0.33 0.00 -1.89 1.25 3.86 -1.49 -3.41 115.15 113.80 1snl h HIS 25 Ca 0.70 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 59.35 1snl h HIS 25 Cb 1.76 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 30.15 1snl h HIS 25 CO -0.01 0.00 1.22 0.34 0.86 0.00 0.00 177.93 180.35 1snl s ASP 26 N -4.62 6.27 -0.07 2.45 -1.08 0.35 -4.84 116.67 115.12 1snl s ASP 26 Ca 0.10 -0.81 -0.24 0.00 -0.52 0.00 0.00 52.55 51.08 1snl s ASP 26 Cb 0.12 -2.56 -0.20 0.00 -1.46 0.00 0.00 42.92 38.82 1snl s ASP 26 CO 0.59 -1.73 0.91 0.40 0.52 0.00 0.00 175.17 175.86 1snl h ILE 27 N 6.33 1.27 -0.22 4.11 2.04 -1.80 -3.24 117.51 126.00 1snl h ILE 27 Ca -0.10 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.24 1snl h ILE 27 Cb 1.04 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 1snl h ILE 27 CO 1.33 0.36 0.00 0.59 0.00 0.00 0.00 178.15 180.43 1snl n ASN 28 N -4.80 1.31 -3.97 1.72 5.03 -1.26 -4.92 115.26 108.36 1snl n ASN 28 Ca -0.08 -1.91 -0.38 0.00 0.87 0.00 0.00 54.58 53.09 1snl n ASN 28 Cb 0.32 -0.15 0.01 0.00 -1.02 0.00 0.00 39.78 38.94 1snl n ASN 28 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1snl n SER 29 N 0.18 -3.39 -0.95 6.41 2.88 -1.22 -4.83 113.62 112.69 1snl n SER 29 Ca 0.10 -1.18 0.12 0.00 -1.33 0.00 0.00 58.87 56.58 1snl n SER 29 Cb 0.22 -2.36 0.10 0.00 -0.75 0.00 0.00 64.21 61.42 1snl n SER 29 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1snl n ASP 30 N -2.51 2.99 0.00 -3.46 2.03 -1.26 -4.92 116.55 109.42 1snl n ASP 30 Ca -0.16 -1.98 0.00 0.00 0.52 0.00 0.00 54.79 53.17 1snl n ASP 30 Cb 0.60 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1snl n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1snl n GLY 31 N 1.34 1.40 3.17 0.27 0.00 -1.26 -4.97 105.19 105.13 1snl n GLY 31 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 1snl n GLY 31 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1snl s VAL 32 N -3.57 0.17 -0.15 1.61 -7.23 -1.26 -4.01 120.40 105.96 1snl s VAL 32 Ca 0.00 -1.43 -0.03 0.00 -1.81 0.00 0.00 61.98 58.72 1snl s VAL 32 Cb 0.00 -1.43 -0.02 0.00 0.56 0.00 0.00 36.38 35.49 1snl s VAL 32 CO 0.00 -0.77 -0.07 -0.76 -0.31 0.00 0.00 175.10 173.20 1snl s LEU 33 N -2.89 3.05 0.36 1.32 1.43 -0.99 -4.96 118.68 116.01 1snl s LEU 33 Ca 0.06 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.02 1snl s LEU 33 Cb 0.06 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 1snl s LEU 33 CO -0.10 0.15 0.36 1.51 0.23 0.00 0.00 176.35 178.50 1snl s ASP 34 N 0.47 5.34 0.00 2.29 -4.77 -1.26 -2.87 116.67 115.87 1snl s ASP 34 Ca -0.05 -0.52 0.00 0.00 -3.30 0.00 0.00 52.55 48.68 1snl s ASP 34 Cb -0.15 -0.87 0.00 0.00 -1.09 0.00 0.00 42.92 40.81 1snl s ASP 34 CO 0.03 -0.48 0.62 1.21 0.70 0.00 0.00 175.17 177.26 1snl n GLU 35 N -1.49 0.00 0.03 2.11 2.13 -1.26 -1.01 120.64 121.15 1snl n GLU 35 Ca 0.01 0.19 -0.22 0.00 0.66 0.00 0.00 57.16 57.80 1snl n GLU 35 Cb 0.60 -1.62 -0.14 0.00 0.27 0.00 0.00 31.44 30.55 1snl n GLU 35 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1snl h GLN 36 N 0.00 0.29 0.03 5.31 1.08 -1.95 -1.88 115.11 117.99 1snl h GLN 36 Ca 0.00 -0.49 -0.23 0.00 -1.45 0.00 0.00 58.65 56.48 1snl h GLN 36 Cb 0.25 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 1snl h GLN 36 CO 0.00 1.23 -1.11 1.49 -0.95 0.00 0.00 178.83 179.50 1snl h GLU 37 N -0.19 0.06 0.02 1.46 4.57 -1.45 -1.87 114.58 117.18 1snl h GLU 37 Ca -0.31 -0.11 -0.24 0.00 -1.18 0.00 0.00 59.36 57.52 1snl h GLU 37 Cb 1.85 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 30.49 1snl h GLU 37 CO 0.09 1.02 -1.01 1.25 -1.18 0.00 0.00 179.01 179.19 1snl h LEU 38 N 0.02 0.62 0.04 1.64 5.85 -1.52 -1.95 115.31 120.01 1snl h LEU 38 Ca -0.06 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.14 1snl h LEU 38 Cb 1.83 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.67 1snl h LEU 38 CO 0.14 1.32 -0.02 -0.08 -0.34 0.00 0.00 178.44 179.47 1snl h GLU 39 N 0.25 -0.05 0.00 1.25 4.81 -1.39 -2.80 114.58 116.65 1snl h GLU 39 Ca -0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1snl h GLU 39 Cb 1.66 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.05 1snl h GLU 39 CO 0.18 0.60 -0.06 0.00 -0.73 0.00 0.00 179.01 179.00 1snl h ALA 40 N 0.08 1.86 0.00 2.92 0.00 -1.44 -1.88 119.26 120.80 1snl h ALA 40 Ca -0.01 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1snl h ALA 40 Cb 0.67 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1snl h ALA 40 CO 0.01 0.07 -0.64 1.25 0.00 0.00 0.00 179.25 179.94 1snl h LEU 41 N 0.00 0.00 0.22 0.00 5.85 -1.37 -2.67 115.31 117.34 1snl h LEU 41 Ca -0.00 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.37 1snl h LEU 41 Cb 0.10 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.16 1snl h LEU 41 CO 0.01 0.64 -1.62 -0.26 -0.34 0.00 0.00 178.44 176.87 1snl h PHE 42 N 0.00 0.85 0.26 1.25 0.04 -1.08 -2.86 116.94 115.41 1snl h PHE 42 Ca -0.01 -0.62 -0.01 0.00 2.80 0.00 0.00 57.97 60.13 1snl h PHE 42 Cb 1.33 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1snl h PHE 42 CO 0.00 1.63 -0.13 1.15 -0.60 0.00 0.00 178.31 180.36 1snl h THR 43 N 0.12 0.68 -0.45 -1.55 2.02 -1.51 -2.80 112.91 109.41 1snl h THR 43 Ca -0.30 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1snl h THR 43 Cb 2.13 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 69.58 1snl h THR 43 CO 0.23 0.15 0.29 0.07 0.37 0.00 0.00 175.52 176.62 1snl h LYS 44 N -0.85 0.61 0.00 6.66 5.09 -1.65 -1.85 116.57 124.57 1snl h LYS 44 Ca -0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 60.65 60.66 1snl h LYS 44 Cb 0.51 -0.13 -0.00 0.00 0.10 0.00 0.00 32.23 32.71 1snl h LYS 44 CO 0.06 0.42 -0.01 1.49 -2.09 0.00 0.00 179.45 179.32 1snl h GLU 45 N 0.61 0.00 0.00 0.07 4.81 -1.58 0.12 114.58 118.61 1snl h GLU 45 Ca 0.16 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1snl h GLU 45 Cb -0.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1snl h GLU 45 CO -0.03 0.01 -0.16 1.25 -0.73 0.00 0.00 179.01 179.35 1snl h LEU 46 N 0.00 0.00 0.00 1.64 5.85 -1.05 -2.37 115.31 119.38 1snl h LEU 46 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1snl h LEU 46 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1snl h LEU 46 CO 0.00 0.16 0.00 -1.84 -0.34 0.00 0.00 178.44 176.42 1snl n GLU 47 N -3.41 0.08 -3.75 1.25 -0.00 0.43 -4.38 120.64 110.86 1snl n GLU 47 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.16 56.93 1snl n GLU 47 Cb 0.34 -1.29 -0.03 0.00 -0.00 0.00 0.00 31.44 30.46 1snl n GLU 47 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1snl s LYS 48 N -2.00 2.39 0.00 3.44 1.02 -0.89 -4.57 119.74 119.12 1snl s LYS 48 Ca 0.02 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.28 1snl s LYS 48 Cb 0.01 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 1snl s LYS 48 CO 0.02 -0.30 0.00 0.28 -0.92 0.00 0.00 175.35 174.42 1snl n VAL 49 N -1.56 0.00 -2.34 3.17 0.31 -1.26 -4.79 118.33 111.86 1snl n VAL 49 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1snl n VAL 49 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 1snl n VAL 49 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1snl n TYR 50 N 0.00 -2.23 -3.19 3.52 4.01 -1.26 -5.08 117.16 112.92 1snl n TYR 50 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 1snl n TYR 50 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 1snl n TYR 50 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1snl n ASP 51 N -2.10 -0.42 -0.29 7.72 5.75 -1.26 -4.95 116.55 121.00 1snl n ASP 51 Ca 0.00 -2.66 0.00 0.00 -0.01 0.00 0.00 54.79 52.12 1snl n ASP 51 Cb 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 1snl n ASP 51 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1snl n PRO 52 N 1.89 0.33 -0.69 0.11 -0.04 -1.26 -2.24 135.00 133.10 1snl n PRO 52 Ca 0.22 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.74 1snl n PRO 52 Cb 0.53 -1.10 0.14 0.00 -0.04 0.00 0.00 33.50 33.03 1snl n PRO 52 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1snl n LYS 53 N -0.02 1.08 -1.60 0.54 4.76 -1.26 -4.76 118.16 116.90 1snl n LYS 53 Ca 0.00 -2.73 -0.01 0.00 -2.87 0.00 0.00 58.31 52.70 1snl n LYS 53 Cb 0.05 -1.17 0.03 0.00 -1.84 0.00 0.00 35.03 32.09 1snl n LYS 53 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1snl n ASN 54 N -0.75 -0.55 -3.67 4.39 4.05 -0.95 -5.14 115.26 112.64 1snl n ASN 54 Ca 0.14 -1.30 -0.11 0.00 0.45 0.00 0.00 54.58 53.76 1snl n ASN 54 Cb 0.78 0.24 -0.09 0.00 1.23 0.00 0.00 39.78 41.94 1snl n ASN 54 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 1snl s GLU 55 N 0.04 0.62 0.55 1.20 2.12 -1.25 -5.06 118.70 116.91 1snl s GLU 55 Ca 0.03 0.94 -0.09 0.00 0.36 0.00 0.00 54.97 56.21 1snl s GLU 55 Cb 0.13 0.18 0.14 0.00 0.26 0.00 0.00 34.13 34.84 1snl s GLU 55 CO -0.04 -0.12 0.42 0.39 -0.54 0.00 0.00 175.26 175.37 1snl n GLU 56 N 3.65 -2.42 -2.77 4.30 1.02 -1.26 -4.68 120.64 118.48 1snl n GLU 56 Ca -0.18 -0.68 -0.01 0.00 -0.02 0.00 0.00 57.16 56.27 1snl n GLU 56 Cb 0.57 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 1snl n GLU 56 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1snl n ASP 57 N -3.94 -7.94 -4.08 1.62 8.00 -1.26 -4.43 116.55 104.52 1snl n ASP 57 Ca 0.06 1.27 -0.02 0.00 0.71 0.00 0.00 54.79 56.81 1snl n ASP 57 Cb 0.25 -5.10 -0.02 0.00 -0.02 0.00 0.00 41.12 36.23 1snl n ASP 57 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1snl n ASP 58 N 0.63 -1.59 -0.56 -2.24 5.75 -1.26 -2.31 116.55 114.97 1snl n ASP 58 Ca 0.01 -1.52 -0.03 0.00 -0.01 0.00 0.00 54.79 53.24 1snl n ASP 58 Cb 0.09 -0.74 -0.01 0.00 -1.03 0.00 0.00 41.12 39.43 1snl n ASP 58 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1snl n MET 59 N 4.95 -1.58 0.02 0.11 2.81 -1.26 -4.72 117.12 117.44 1snl n MET 59 Ca 0.06 0.24 -0.10 0.00 -1.81 0.00 0.00 57.70 56.09 1snl n MET 59 Cb 0.49 -3.81 -0.04 0.00 -0.71 0.00 0.00 33.22 29.15 1snl n MET 59 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1snl h ARG 60 N 0.00 -0.35 -7.01 0.03 2.43 -1.78 -3.30 114.38 104.40 1snl h ARG 60 Ca -0.06 0.02 -0.48 0.00 -0.81 0.00 0.00 59.98 58.66 1snl h ARG 60 Cb 0.34 0.08 0.22 0.00 -0.42 0.00 0.00 29.97 30.18 1snl h ARG 60 CO 0.09 -0.23 -0.27 0.39 -1.51 0.00 0.00 179.97 178.44 1snl n GLU 61 N -5.39 -1.50 0.00 0.20 4.71 -1.26 -1.26 120.64 116.14 1snl n GLU 61 Ca -0.03 -0.40 0.00 0.00 -0.01 0.00 0.00 57.16 56.72 1snl n GLU 61 Cb 0.30 -2.07 0.00 0.00 -1.01 0.00 0.00 31.44 28.66 1snl n GLU 61 CO 0.00 0.00 0.00 -0.12 0.09 0.00 0.00 177.13 177.10 1snl n MET 62 N -3.71 0.00 0.05 3.49 1.56 -1.26 -4.65 117.12 112.59 1snl n MET 62 Ca 0.05 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.50 1snl n MET 62 Cb 0.55 -3.65 0.12 0.00 2.15 0.00 0.00 33.22 32.39 1snl n MET 62 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 1snl n GLU 63 N -1.71 0.03 0.15 2.12 0.28 -0.39 -1.71 120.64 119.41 1snl n GLU 63 Ca 0.00 0.42 -0.07 0.00 -0.16 0.00 0.00 57.16 57.36 1snl n GLU 63 Cb 0.00 -1.76 -0.03 0.00 1.43 0.00 0.00 31.44 31.08 1snl n GLU 63 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1snl h GLU 64 N 0.00 -0.42 -1.07 3.44 4.39 -1.82 -3.23 114.58 115.86 1snl h GLU 64 Ca 0.00 0.03 0.34 0.00 0.34 0.00 0.00 59.36 60.07 1snl h GLU 64 Cb 0.32 0.10 -0.14 0.00 -0.10 0.00 0.00 28.75 28.93 1snl h GLU 64 CO 0.00 -0.28 0.64 1.49 -1.16 0.00 0.00 179.01 179.70 1snl h GLU 65 N -0.86 0.26 -1.12 2.33 4.57 -1.73 0.93 114.58 118.97 1snl h GLU 65 Ca -0.04 -0.02 0.32 0.00 -1.18 0.00 0.00 59.36 58.44 1snl h GLU 65 Cb 0.33 -0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 28.76 1snl h GLU 65 CO 0.07 0.17 0.73 -0.09 -1.18 0.00 0.00 179.01 178.72 1snl h ARG 66 N 0.27 0.28 0.00 1.92 1.12 -1.56 1.27 114.38 117.67 1snl h ARG 66 Ca 0.74 -0.02 -0.15 0.00 -1.11 0.00 0.00 59.98 59.44 1snl h ARG 66 Cb 1.86 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 31.74 1snl h ARG 66 CO -0.53 0.18 -0.89 -0.07 -3.11 0.00 0.00 179.97 175.55 1snl h LEU 67 N 0.28 0.00 -0.71 3.80 3.38 0.80 -2.48 115.31 120.38 1snl h LEU 67 Ca 0.66 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.54 1snl h LEU 67 Cb 1.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 1snl h LEU 67 CO -0.32 0.65 0.00 -0.09 0.09 0.00 0.00 178.44 178.77 1snl h ARG 68 N 0.00 0.99 0.00 1.13 1.12 0.18 -1.48 114.38 116.33 1snl h ARG 68 Ca -0.06 -0.30 -0.11 0.00 -1.11 0.00 0.00 59.98 58.40 1snl h ARG 68 Cb 1.55 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 31.40 1snl h ARG 68 CO 0.08 0.97 -0.62 0.52 -3.11 0.00 0.00 179.97 177.81 1snl h MET 69 N 0.91 0.00 -0.45 0.20 0.00 -1.39 -2.82 114.93 111.37 1snl h MET 69 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 59.70 60.00 1snl h MET 69 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 32.11 1snl h MET 69 CO 0.03 0.96 0.39 -0.09 0.00 0.00 0.00 176.91 178.20 1snl h ARG 70 N -1.00 0.00 0.00 1.72 2.43 -1.51 -2.06 114.38 113.96 1snl h ARG 70 Ca -0.17 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.92 1snl h ARG 70 Cb 1.12 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1snl h ARG 70 CO -0.10 0.00 -0.49 0.93 -1.51 0.00 0.00 179.97 178.80 1snl h GLU 71 N 0.00 0.00 -0.95 0.20 4.39 -1.37 -3.04 114.58 113.81 1snl h GLU 71 Ca 0.22 0.00 0.13 0.00 0.34 0.00 0.00 59.36 60.05 1snl h GLU 71 Cb 0.99 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.56 1snl h GLU 71 CO -0.00 0.82 0.60 1.25 -1.16 0.00 0.00 179.01 180.52 1snl h HIS 72 N -1.00 0.99 0.11 4.33 2.76 -1.20 0.17 115.15 121.31 1snl h HIS 72 Ca -0.12 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.07 1snl h HIS 72 Cb 0.97 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.62 1snl h HIS 72 CO 0.15 0.38 -0.05 0.28 -1.30 0.00 0.00 177.93 177.38 1snl h VAL 73 N 0.85 0.88 0.00 5.26 2.07 -1.53 -2.68 116.25 121.10 1snl h VAL 73 Ca 0.48 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1snl h VAL 73 Cb 0.60 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1snl h VAL 73 CO -0.24 0.25 0.00 0.23 0.02 0.00 0.00 177.57 177.83 1snl n MET 74 N -4.85 0.13 0.01 1.57 2.00 -1.09 -0.11 117.12 114.79 1snl n MET 74 Ca -0.07 0.56 -0.21 0.00 0.00 0.00 0.00 57.70 57.98 1snl n MET 74 Cb 0.26 -1.88 -0.14 0.00 0.00 0.00 0.00 33.22 31.47 1snl n MET 74 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1snl h LYS 75 N 0.00 0.27 0.00 0.03 3.64 -0.65 -3.33 116.57 116.53 1snl h LYS 75 Ca 0.00 -0.46 -0.23 0.00 -1.27 0.00 0.00 60.65 58.69 1snl h LYS 75 Cb 0.10 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 1snl h LYS 75 CO 0.00 1.19 -2.06 0.27 -2.27 0.00 0.00 179.45 176.58 1snl n ASN 76 N -3.48 0.90 0.03 4.20 2.04 -1.01 -4.51 115.26 113.43 1snl n ASN 76 Ca -0.30 0.00 -0.06 0.00 -0.44 0.00 0.00 54.58 53.78 1snl n ASN 76 Cb 1.05 1.13 -0.12 0.00 -2.53 0.00 0.00 39.78 39.32 1snl n ASN 76 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 1snl h VAL 77 N 0.00 1.18 -2.06 3.53 2.07 -0.72 -3.43 116.25 116.82 1snl h VAL 77 Ca -0.34 -2.91 -0.54 0.00 0.82 0.00 0.00 66.70 63.72 1snl h VAL 77 Cb 1.73 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 34.06 1snl h VAL 77 CO 0.02 0.67 1.46 1.51 0.02 0.00 0.00 177.57 181.25 1snl s ASP 78 N -6.35 5.27 -0.17 0.57 -4.77 -1.23 -4.83 116.67 105.17 1snl s ASP 78 Ca -0.02 1.34 -0.18 0.00 -3.30 0.00 0.00 52.55 50.40 1snl s ASP 78 Cb 0.09 -2.51 -0.15 0.00 -1.09 0.00 0.00 42.92 39.26 1snl s ASP 78 CO 0.82 -2.19 0.21 0.71 0.70 0.00 0.00 175.17 175.42 1snl h THR 79 N 7.18 0.78 -0.62 2.11 1.35 -1.90 -3.38 112.91 118.42 1snl h THR 79 Ca -0.33 -1.80 -0.20 0.00 -0.55 0.00 0.00 66.41 63.53 1snl h THR 79 Cb 1.22 1.69 -0.12 0.00 -1.73 0.00 0.00 68.15 69.21 1snl h THR 79 CO 1.06 0.26 0.21 0.59 -0.25 0.00 0.00 175.52 177.39 1snl n ASN 80 N -4.55 4.23 -1.96 5.36 5.03 -1.26 -4.93 115.26 117.18 1snl n ASN 80 Ca -0.18 -3.31 -0.00 0.00 0.87 0.00 0.00 54.58 51.95 1snl n ASN 80 Cb 0.46 -0.70 -0.00 0.00 -1.02 0.00 0.00 39.78 38.52 1snl n ASN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1snl n GLN 81 N -0.45 -2.41 -0.04 3.52 1.13 -1.26 -4.63 117.38 113.24 1snl n GLN 81 Ca 0.38 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.46 1snl n GLN 81 Cb 1.28 -3.22 0.04 0.00 0.11 0.00 0.00 30.24 28.45 1snl n GLN 81 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1snl n ASP 82 N -1.08 0.42 0.00 1.08 5.75 -1.26 -4.79 116.55 116.67 1snl n ASP 82 Ca 0.00 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1snl n ASP 82 Cb 0.36 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1snl n ASP 82 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1snl n ARG 83 N -0.27 0.00 -5.14 0.11 1.74 -1.26 -4.89 116.66 106.94 1snl n ARG 83 Ca 0.03 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.79 1snl n ARG 83 Cb 0.07 -3.80 -0.16 0.00 -1.02 0.00 0.00 32.46 27.54 1snl n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1snl s LEU 84 N 0.00 2.25 -0.13 0.55 1.02 -1.26 -4.12 118.68 116.99 1snl s LEU 84 Ca 0.00 -0.45 -0.01 0.00 0.02 0.00 0.00 54.13 53.69 1snl s LEU 84 Cb 0.00 -1.44 -0.02 0.00 0.02 0.00 0.00 46.19 44.75 1snl s LEU 84 CO 0.00 0.23 -0.10 -0.69 0.02 0.00 0.00 176.35 175.81 1snl s VAL 85 N -0.09 3.33 0.36 -1.59 1.01 -1.14 -4.88 120.40 117.41 1snl s VAL 85 Ca -0.05 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1snl s VAL 85 Cb -0.14 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1snl s VAL 85 CO 0.04 0.52 0.33 0.42 0.00 0.00 0.00 175.10 176.41 1snl s THR 86 N 0.30 3.33 0.28 3.92 -4.23 -1.26 -2.35 115.64 115.62 1snl s THR 86 Ca -0.08 -1.34 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1snl s THR 86 Cb -0.15 -3.14 0.13 0.00 1.34 0.00 0.00 72.50 70.68 1snl s THR 86 CO 0.05 -0.13 1.80 0.25 -0.54 0.00 0.00 174.62 176.05 1snl h LEU 87 N 1.16 0.72 0.17 4.79 5.85 -1.99 -2.33 115.31 123.69 1snl h LEU 87 Ca -0.44 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 1snl h LEU 87 Cb 1.26 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1snl h LEU 87 CO 0.57 0.77 -0.08 -0.33 -0.34 0.00 0.00 178.44 179.03 1snl h GLU 88 N 0.72 -0.23 -0.45 1.25 3.07 -1.95 -0.17 114.58 116.84 1snl h GLU 88 Ca 0.15 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.06 1snl h GLU 88 Cb 0.38 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 1snl h GLU 88 CO 0.01 -0.15 0.30 0.93 -1.40 0.00 0.00 179.01 178.70 1snl h GLU 89 N -0.25 0.45 0.11 2.33 5.08 -1.99 -2.33 114.58 118.00 1snl h GLU 89 Ca -0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1snl h GLU 89 Cb 0.18 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1snl h GLU 89 CO 0.04 0.30 -0.05 0.35 -1.00 0.00 0.00 179.01 178.65 1snl h PHE 90 N 0.47 -0.14 -0.88 4.33 3.57 -1.38 -2.50 116.94 120.41 1snl h PHE 90 Ca 0.19 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.89 1snl h PHE 90 Cb 0.16 0.05 -0.12 0.00 2.79 0.00 0.00 35.95 38.82 1snl h PHE 90 CO -0.00 0.10 0.40 -0.07 -2.23 0.00 0.00 178.31 176.51 1snl h LEU 91 N -0.37 0.37 -0.17 0.59 4.07 -0.49 -1.26 115.31 118.05 1snl h LEU 91 Ca -0.02 0.14 0.03 0.00 0.08 0.00 0.00 57.88 58.11 1snl h LEU 91 Cb 0.30 0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.09 1snl h LEU 91 CO 0.03 0.05 -0.47 0.00 -1.08 0.00 0.00 178.44 176.96 1snl h ALA 92 N 1.67 -0.81 -1.14 1.53 0.00 -1.04 0.40 119.26 119.88 1snl h ALA 92 Ca 0.54 -0.04 0.32 0.00 0.00 0.00 0.00 54.91 55.72 1snl h ALA 92 Cb 0.97 0.98 -0.07 0.00 0.00 0.00 0.00 17.79 19.66 1snl h ALA 92 CO -0.49 -0.99 0.78 0.66 0.00 0.00 0.00 179.25 179.20 1snl h SER 93 N -0.47 0.20 -0.64 0.00 4.64 -1.13 1.27 113.55 117.42 1snl h SER 93 Ca 0.03 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1snl h SER 93 Cb 0.57 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1snl h SER 93 CO -0.41 0.02 0.00 0.35 -0.87 0.00 0.00 176.83 175.93 1snl n THR 94 N -4.40 1.73 -3.74 2.95 -2.24 0.76 -4.84 114.28 104.51 1snl n THR 94 Ca 0.26 -1.13 -0.19 0.00 -2.27 0.00 0.00 64.05 60.72 1snl n THR 94 Cb 1.11 0.12 -0.17 0.00 -2.10 0.00 0.00 70.33 69.29 1snl n THR 94 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1snl s GLN 95 N -1.81 0.10 0.00 -0.78 -1.52 0.44 -4.95 119.66 111.14 1snl s GLN 95 Ca 0.50 0.26 0.00 0.00 -1.95 0.00 0.00 55.36 54.16 1snl s GLN 95 Cb 0.32 -0.54 0.00 0.00 -0.22 0.00 0.00 33.01 32.57 1snl s GLN 95 CO 0.24 -0.27 0.00 -2.13 -0.25 0.00 0.00 175.29 172.89 1snl n ARG 96 N 4.90 0.00 -3.62 2.91 3.00 -1.26 -4.69 116.66 117.90 1snl n ARG 96 Ca -0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.73 1snl n ARG 96 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.95 1snl n ARG 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1snl s LYS 97 N -0.38 0.06 -0.30 -0.14 -2.85 -1.26 -5.15 119.74 109.73 1snl s LYS 97 Ca 0.00 -0.03 -0.07 0.00 -1.00 0.00 0.00 55.97 54.87 1snl s LYS 97 Cb 0.00 0.03 0.19 0.00 -2.06 0.00 0.00 37.83 35.98 1snl s LYS 97 CO 0.00 -0.03 0.91 -1.83 0.10 0.00 0.00 175.35 174.50 1snl s GLU 98 N -2.08 0.28 0.00 1.78 4.04 -1.26 -5.12 118.70 116.34 1snl s GLU 98 Ca 0.12 0.33 0.00 0.00 0.04 0.00 0.00 54.97 55.47 1snl s GLU 98 Cb 0.01 0.17 0.00 0.00 0.02 0.00 0.00 34.13 34.33 1snl s GLU 98 CO -0.04 -0.45 0.00 1.19 -1.84 0.00 0.00 175.26 174.12