#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snl h LYS 2 N 0.00 0.33 0.00 3.23 3.64 -2.10 -3.41 116.57 118.26 1snl h LYS 2 Ca 0.00 -0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 59.02 1snl h LYS 2 Cb 0.00 -0.08 0.19 0.00 -0.41 0.00 0.00 32.23 31.93 1snl h LYS 2 CO 0.00 0.22 -0.07 0.39 -2.27 0.00 0.00 179.45 177.72 1snl n GLU 3 N -5.08 -4.05 -0.89 1.90 1.02 -1.26 -4.93 120.64 107.35 1snl n GLU 3 Ca 0.13 -1.40 -0.32 0.00 -0.02 0.00 0.00 57.16 55.55 1snl n GLU 3 Cb 0.40 -1.62 0.14 0.00 -0.02 0.00 0.00 31.44 30.34 1snl n GLU 3 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1snl n VAL 4 N -5.24 0.96 -0.95 2.62 3.14 -1.26 -4.89 118.33 112.72 1snl n VAL 4 Ca 0.13 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1snl n VAL 4 Cb 0.53 -1.05 0.00 0.00 -1.06 0.00 0.00 33.84 32.26 1snl n VAL 4 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 1snl n TRP 5 N -3.73 0.00 -0.00 1.45 -0.00 -1.26 -4.66 117.44 109.24 1snl n TRP 5 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.62 1snl n TRP 5 Cb 0.51 0.03 0.00 0.00 -0.00 0.00 0.00 31.31 31.85 1snl n TRP 5 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1snl n GLU 6 N 0.00 1.25 -0.28 5.87 4.71 -1.26 -5.00 120.64 125.93 1snl n GLU 6 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1snl n GLU 6 Cb 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.55 1snl n GLU 6 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1snl n GLU 7 N 0.00 0.00 -3.63 3.49 0.00 -1.26 -5.13 120.64 114.12 1snl n GLU 7 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.05 1snl n GLU 7 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.37 1snl n GLU 7 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1snl s LEU 8 N 0.00 -0.51 -0.07 -1.84 2.96 -1.26 -5.06 118.68 112.90 1snl s LEU 8 Ca 0.00 0.93 0.22 0.00 -0.22 0.00 0.00 54.13 55.06 1snl s LEU 8 Cb 0.00 2.02 0.43 0.00 0.50 0.00 0.00 46.19 49.15 1snl s LEU 8 CO 0.00 -0.21 1.18 -0.67 -1.32 0.00 0.00 176.35 175.33 1snl n ASP 9 N 2.10 1.29 0.00 3.68 2.03 -1.26 -4.95 116.55 119.44 1snl n ASP 9 Ca -0.13 -2.46 0.00 0.00 0.52 0.00 0.00 54.79 52.72 1snl n ASP 9 Cb 0.56 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 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 0.04 -1.83 2.15 0.27 0.00 -1.26 -5.12 105.19 99.44 1snl n GLY 10 Ca 0.10 0.94 -0.37 0.00 0.00 0.00 0.00 46.02 46.69 1snl n GLY 10 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1snl n LEU 11 N 0.00 0.18 -4.67 0.99 7.94 -1.26 -4.80 117.00 115.38 1snl n LEU 11 Ca 0.00 0.71 -0.37 0.00 -1.11 0.00 0.00 56.01 55.24 1snl n LEU 11 Cb 0.00 -0.55 0.07 0.00 0.53 0.00 0.00 43.42 43.47 1snl n LEU 11 CO 0.00 -0.99 0.72 0.47 -1.11 0.00 0.00 177.39 176.48 1snl n ASP 12 N 1.29 1.35 0.00 1.96 9.92 -1.26 -4.76 116.55 125.05 1snl n ASP 12 Ca 0.14 0.79 0.00 0.00 -0.53 0.00 0.00 54.79 55.19 1snl n ASP 12 Cb 0.03 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.03 1snl n ASP 12 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1snl n PRO 13 N -1.64 0.00 0.00 -0.24 -0.04 -1.26 -4.54 135.00 127.28 1snl n PRO 13 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1snl n PRO 13 Cb 0.48 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 1snl n PRO 13 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1snl n ASN 14 N -0.78 0.00 -3.05 3.54 2.85 -1.26 -5.02 115.26 111.54 1snl n ASN 14 Ca 0.00 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1snl n ASN 14 Cb 0.00 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.02 1snl n ASN 14 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1snl n ARG 15 N 0.00 -1.35 -3.25 1.20 5.12 -1.26 -4.95 116.66 112.17 1snl n ARG 15 Ca 0.00 1.40 -0.25 0.00 -1.93 0.00 0.00 57.85 57.07 1snl n ARG 15 Cb 0.00 -1.92 -0.07 0.00 -1.16 0.00 0.00 32.46 29.31 1snl n ARG 15 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1snl n PHE 16 N 1.55 0.59 -3.26 -1.55 7.35 -1.26 -4.91 117.46 115.97 1snl n PHE 16 Ca -0.03 -3.70 -0.18 0.00 -0.76 0.00 0.00 57.45 52.77 1snl n PHE 16 Cb 0.31 -0.39 0.01 0.00 0.35 0.00 0.00 39.48 39.77 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 1.31 -6.65 0.06 -2.13 5.03 -1.26 -4.75 115.26 106.87 1snl n ASN 17 Ca 0.23 -0.06 0.04 0.00 0.87 0.00 0.00 54.58 55.66 1snl n ASN 17 Cb 0.50 -3.63 0.21 0.00 -1.02 0.00 0.00 39.78 35.84 1snl n ASN 17 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1snl n PRO 18 N -1.00 0.05 -0.10 3.52 -0.02 -1.26 -2.55 135.00 133.64 1snl n PRO 18 Ca -0.05 0.54 -0.06 0.00 -2.02 0.00 0.00 63.50 61.91 1snl n PRO 18 Cb 0.58 -1.68 0.01 0.00 -0.02 0.00 0.00 33.50 32.39 1snl n PRO 18 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1snl h LYS 19 N 0.00 0.19 -0.81 -0.52 3.64 -2.01 -2.06 116.57 114.99 1snl h LYS 19 Ca 0.00 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1snl h LYS 19 Cb 0.03 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1snl h LYS 19 CO 0.00 0.13 0.54 1.15 -2.27 0.00 0.00 179.45 178.99 1snl h THR 20 N 0.20 1.19 -0.37 1.00 2.02 -1.82 -2.05 112.91 113.07 1snl h THR 20 Ca 0.16 -0.37 0.05 0.00 0.77 0.00 0.00 66.41 67.02 1snl h THR 20 Cb 0.17 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 1snl h THR 20 CO -0.21 0.20 0.11 0.15 0.37 0.00 0.00 175.52 176.14 1snl h PHE 21 N 1.07 0.20 -0.67 3.16 3.57 -1.56 0.31 116.94 123.02 1snl h PHE 21 Ca 0.31 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.97 1snl h PHE 21 Cb -0.08 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 1snl h PHE 21 CO -0.00 0.07 0.46 0.35 -2.23 0.00 0.00 178.31 176.96 1snl h PHE 22 N 0.26 0.31 0.20 0.41 3.04 -1.14 -2.48 116.94 117.53 1snl h PHE 22 Ca 0.17 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 1snl h PHE 22 Cb 0.17 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.58 1snl h PHE 22 CO -0.16 0.12 -0.10 0.82 -2.02 0.00 0.00 178.31 176.97 1snl h ILE 23 N 0.27 0.00 0.00 1.41 2.04 -0.80 -2.46 117.51 117.97 1snl h ILE 23 Ca 0.33 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1snl h ILE 23 Cb 0.90 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1snl h ILE 23 CO -0.07 0.00 0.41 0.18 0.00 0.00 0.00 178.15 178.66 1snl n LEU 24 N -4.42 0.15 -0.00 1.44 4.77 -0.61 0.64 117.00 118.97 1snl n LEU 24 Ca -0.03 0.36 0.08 0.00 -0.03 0.00 0.00 56.01 56.39 1snl n LEU 24 Cb 0.11 -0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 40.81 1snl n LEU 24 CO 0.08 -0.41 -0.30 1.57 -1.33 0.00 0.00 177.39 177.00 1snl n HIS 25 N -1.69 0.00 -1.73 -1.77 -0.00 -0.96 -4.70 115.22 104.37 1snl n HIS 25 Ca -0.00 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.76 1snl n HIS 25 Cb 0.41 -0.15 -0.00 0.00 -0.12 0.00 0.00 29.99 30.13 1snl n HIS 25 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1snl n ASP 26 N -1.67 3.85 -0.09 0.26 5.75 0.21 -4.76 116.55 120.10 1snl n ASP 26 Ca 0.01 -2.84 -0.07 0.00 -0.01 0.00 0.00 54.79 51.88 1snl n ASP 26 Cb 0.33 -1.64 -0.01 0.00 -1.03 0.00 0.00 41.12 38.77 1snl n ASP 26 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1snl h ILE 27 N 4.07 0.34 -0.01 2.12 2.04 -1.84 0.18 117.51 124.42 1snl h ILE 27 Ca 0.56 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.42 1snl h ILE 27 Cb 0.65 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1snl h ILE 27 CO 1.88 0.00 -0.05 -0.46 0.00 0.00 0.00 178.15 179.51 1snl n ASN 28 N -5.39 0.77 -3.71 1.72 2.04 -1.26 -4.93 115.26 104.49 1snl n ASN 28 Ca 0.01 -1.04 -0.22 0.00 -0.44 0.00 0.00 54.58 52.88 1snl n ASN 28 Cb 0.31 -0.01 0.03 0.00 -2.53 0.00 0.00 39.78 37.57 1snl n ASN 28 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1snl n SER 29 N -0.53 -1.43 -0.83 0.53 3.41 0.05 -4.85 113.62 109.97 1snl n SER 29 Ca 0.18 -0.85 0.12 0.00 -0.26 0.00 0.00 58.87 58.06 1snl n SER 29 Cb 0.27 -3.96 0.29 0.00 -0.26 0.00 0.00 64.21 60.55 1snl n SER 29 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1snl n ASP 30 N -3.03 2.52 0.00 4.04 2.03 -1.26 -4.90 116.55 115.95 1snl n ASP 30 Ca -0.29 -1.84 0.00 0.00 0.52 0.00 0.00 54.79 53.19 1snl n ASP 30 Cb 0.67 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 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 1.31 0.68 3.21 0.27 0.00 -1.26 -4.96 105.19 104.44 1snl n GLY 31 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.01 0.12 -0.17 1.61 -7.23 -1.26 -3.95 120.40 106.51 1snl s VAL 32 Ca 0.00 -1.59 -0.02 0.00 -1.81 0.00 0.00 61.98 58.56 1snl s VAL 32 Cb 0.00 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 1snl s VAL 32 CO 0.00 -0.54 -0.10 -0.76 -0.31 0.00 0.00 175.10 173.39 1snl s LEU 33 N -2.97 2.74 0.30 1.32 1.43 -0.77 -4.94 118.68 115.80 1snl s LEU 33 Ca 0.15 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 1snl s LEU 33 Cb 0.06 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 1snl s LEU 33 CO -0.03 0.07 0.27 -1.81 0.23 0.00 0.00 176.35 175.08 1snl s ASP 34 N 0.91 5.44 0.49 2.29 1.11 -1.26 -2.48 116.67 123.16 1snl s ASP 34 Ca -0.02 -0.37 0.29 0.00 0.18 0.00 0.00 52.55 52.62 1snl s ASP 34 Cb -0.15 -1.17 1.37 0.00 1.07 0.00 0.00 42.92 44.04 1snl s ASP 34 CO -0.00 -0.23 1.82 -0.08 1.18 0.00 0.00 175.17 177.85 1snl h GLU 35 N 1.32 0.14 -0.22 8.23 4.81 -2.00 0.38 114.58 127.25 1snl h GLU 35 Ca -0.46 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.70 1snl h GLU 35 Cb 1.25 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1snl h GLU 35 CO 0.59 0.09 -0.11 1.96 -0.73 0.00 0.00 179.01 180.82 1snl h GLN 36 N 0.15 0.35 -0.08 1.92 1.08 -1.95 1.66 115.11 118.24 1snl h GLN 36 Ca 0.54 -0.09 -0.22 0.00 -1.45 0.00 0.00 58.65 57.43 1snl h GLN 36 Cb 1.85 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 29.24 1snl h GLN 36 CO -0.11 0.47 -0.85 0.93 -0.95 0.00 0.00 178.83 178.32 1snl h GLU 37 N 0.33 0.63 0.22 1.46 4.39 -0.62 -2.12 114.58 118.86 1snl h GLU 37 Ca 0.07 -0.57 -0.33 0.00 0.34 0.00 0.00 59.36 58.87 1snl h GLU 37 Cb 0.40 0.14 0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1snl h GLU 37 CO 0.02 1.18 -1.53 -0.07 -1.16 0.00 0.00 179.01 177.45 1snl h LEU 38 N 0.40 0.73 -1.02 1.33 3.38 -1.14 -2.58 115.31 116.41 1snl h LEU 38 Ca -0.07 -0.85 0.01 0.00 0.09 0.00 0.00 57.88 57.06 1snl h LEU 38 Cb 1.47 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 1snl h LEU 38 CO 0.16 1.68 0.67 -0.08 0.09 0.00 0.00 178.44 180.96 1snl h GLU 39 N 0.13 1.32 0.00 1.13 4.22 0.24 -1.10 114.58 120.52 1snl h GLU 39 Ca -0.27 -0.08 -0.13 0.00 0.08 0.00 0.00 59.36 58.96 1snl h GLU 39 Cb 2.13 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 31.06 1snl h GLU 39 CO 0.24 0.87 -0.62 0.00 -2.18 0.00 0.00 179.01 177.32 1snl h ALA 40 N 1.38 0.92 0.00 2.92 0.00 -1.44 -2.84 119.26 120.19 1snl h ALA 40 Ca 0.37 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1snl h ALA 40 Cb -0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1snl h ALA 40 CO -0.08 0.78 -0.35 1.25 0.00 0.00 0.00 179.25 180.84 1snl h LEU 41 N 0.00 0.00 0.00 0.00 6.46 -0.88 -2.89 115.31 118.00 1snl h LEU 41 Ca -0.01 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.69 1snl h LEU 41 Cb 1.14 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 1snl h LEU 41 CO 0.08 0.35 -0.34 -0.26 -0.62 0.00 0.00 178.44 177.66 1snl h PHE 42 N 0.00 0.00 -0.81 1.25 0.04 -1.14 -3.00 116.94 113.27 1snl h PHE 42 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1snl h PHE 42 Cb 1.09 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.21 1snl h PHE 42 CO 0.00 1.08 0.52 1.15 -0.60 0.00 0.00 178.31 180.46 1snl h THR 43 N -1.00 1.22 -0.03 -1.55 2.02 -1.61 -3.01 112.91 108.94 1snl h THR 43 Ca -0.09 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 1snl h THR 43 Cb 1.04 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1snl h THR 43 CO -0.06 0.22 -0.21 0.50 0.37 0.00 0.00 175.52 176.35 1snl h LYS 44 N 1.11 0.20 -0.49 6.66 3.64 -1.66 -3.13 116.57 122.89 1snl h LYS 44 Ca 0.30 -0.17 0.14 0.00 -1.27 0.00 0.00 60.65 59.65 1snl h LYS 44 Cb -0.09 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1snl h LYS 44 CO -0.06 0.84 0.41 0.93 -2.27 0.00 0.00 179.45 179.30 1snl h GLU 45 N -0.38 0.00 0.01 1.90 5.08 -1.51 0.81 114.58 120.49 1snl h GLU 45 Ca -0.02 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 1snl h GLU 45 Cb 0.88 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1snl h GLU 45 CO 0.04 0.00 -0.89 -0.07 -1.00 0.00 0.00 179.01 177.09 1snl h LEU 46 N 0.00 0.12 0.00 1.33 3.38 -1.49 -3.02 115.31 115.62 1snl h LEU 46 Ca 0.23 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1snl h LEU 46 Cb 1.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1snl h LEU 46 CO -0.00 0.95 0.00 -1.84 0.09 0.00 0.00 178.44 177.64 1snl n GLU 47 N -3.56 0.14 -0.92 1.13 -0.00 0.28 -1.46 120.64 116.25 1snl n GLU 47 Ca -0.02 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.17 1snl n GLU 47 Cb 0.83 -1.41 0.16 0.00 -0.00 0.00 0.00 31.44 31.02 1snl n GLU 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1snl n LYS 48 N -0.91 1.49 0.17 3.44 5.02 -1.14 -4.59 118.16 121.64 1snl n LYS 48 Ca 0.03 -3.16 0.00 0.00 -2.02 0.00 0.00 58.31 53.16 1snl n LYS 48 Cb 0.01 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1snl n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1snl n VAL 49 N -0.79 0.00 0.26 -0.18 0.31 -0.53 -4.92 118.33 112.48 1snl n VAL 49 Ca 0.19 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.63 1snl n VAL 49 Cb 0.80 -0.29 0.11 0.00 -0.91 0.00 0.00 33.84 33.55 1snl n VAL 49 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1snl h TYR 50 N 0.00 0.00 -5.92 3.52 0.05 -1.87 -3.49 116.97 109.27 1snl h TYR 50 Ca 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.58 1snl h TYR 50 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1snl h TYR 50 CO 0.00 0.00 -0.51 -0.25 -1.05 0.00 0.00 178.16 176.35 1snl n ASP 51 N -2.70 -6.64 -0.23 3.88 8.00 -1.26 -4.71 116.55 112.89 1snl n ASP 51 Ca 0.02 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.19 1snl n ASP 51 Cb 0.52 -3.82 0.00 0.00 -0.02 0.00 0.00 41.12 37.80 1snl n ASP 51 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1snl n PRO 52 N -1.82 0.29 -0.43 -0.24 -0.05 -1.26 -2.22 135.00 129.27 1snl n PRO 52 Ca -0.11 0.00 0.07 0.00 -0.05 0.00 0.00 63.50 63.42 1snl n PRO 52 Cb 0.58 -1.06 0.17 0.00 -0.05 0.00 0.00 33.50 33.13 1snl n PRO 52 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1snl n LYS 53 N -0.11 1.36 -0.80 0.54 5.02 -1.26 -4.68 118.16 118.23 1snl n LYS 53 Ca 0.00 -2.91 -0.04 0.00 -2.02 0.00 0.00 58.31 53.34 1snl n LYS 53 Cb 0.03 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 1snl n LYS 53 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1snl n ASN 54 N -1.14 -0.60 -2.84 4.39 4.05 -0.94 -5.02 115.26 113.15 1snl n ASN 54 Ca 0.17 -1.59 -0.10 0.00 0.45 0.00 0.00 54.58 53.51 1snl n ASN 54 Cb 0.69 0.18 0.02 0.00 1.23 0.00 0.00 39.78 41.90 1snl n ASN 54 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1snl n GLU 55 N 0.00 0.68 0.00 1.20 1.02 -1.26 -5.09 120.64 117.19 1snl n GLU 55 Ca -0.17 -2.08 0.00 0.00 -0.02 0.00 0.00 57.16 54.90 1snl n GLU 55 Cb 0.62 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1snl n GLU 55 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1snl n GLU 56 N 2.00 0.00 -1.30 3.49 4.71 -1.26 -2.48 120.64 125.80 1snl n GLU 56 Ca 0.14 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.29 1snl n GLU 56 Cb 0.59 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 31.01 1snl n GLU 56 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1snl n ASP 57 N 2.24 0.24 0.00 1.62 5.75 -1.26 -4.87 116.55 120.26 1snl n ASP 57 Ca 0.00 -1.99 0.09 0.00 -0.01 0.00 0.00 54.79 52.88 1snl n ASP 57 Cb 0.00 -0.07 0.51 0.00 -1.03 0.00 0.00 41.12 40.52 1snl n ASP 57 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1snl n ASP 58 N 0.31 0.00 -0.10 -1.12 9.92 -1.04 -3.18 116.55 121.34 1snl n ASP 58 Ca -0.07 -0.43 0.18 0.00 -0.53 0.00 0.00 54.79 53.95 1snl n ASP 58 Cb 0.97 -0.06 0.59 0.00 -0.64 0.00 0.00 41.12 41.98 1snl n ASP 58 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 1snl h MET 59 N 0.00 0.22 0.15 -1.24 4.05 -1.90 -0.47 114.93 115.74 1snl h MET 59 Ca 0.00 -0.01 -0.30 0.00 -0.28 0.00 0.00 59.70 59.11 1snl h MET 59 Cb 0.04 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1snl h MET 59 CO 0.00 0.14 -1.43 0.00 0.23 0.00 0.00 176.91 175.86 1snl h ARG 60 N 0.22 0.31 0.00 0.39 3.08 -1.97 -3.27 114.38 113.14 1snl h ARG 60 Ca 0.33 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1snl h ARG 60 Cb 0.98 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1snl h ARG 60 CO -0.07 1.21 0.44 0.39 -1.07 0.00 0.00 179.97 180.88 1snl n GLU 61 N -3.53 0.03 0.00 0.04 1.02 -0.18 0.19 120.64 118.21 1snl n GLU 61 Ca -0.14 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1snl n GLU 61 Cb 1.05 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1snl n GLU 61 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1snl n MET 62 N -1.57 0.80 0.21 3.49 0.00 -1.23 -4.73 117.12 114.10 1snl n MET 62 Ca -0.00 -0.88 0.03 0.00 0.00 0.00 0.00 57.70 56.85 1snl n MET 62 Cb 0.45 -0.93 0.17 0.00 0.00 0.00 0.00 33.22 32.90 1snl n MET 62 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1snl h GLU 63 N 0.00 0.00 0.00 3.17 4.81 0.21 0.43 114.58 123.20 1snl h GLU 63 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1snl h GLU 63 Cb 0.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1snl h GLU 63 CO 0.00 0.00 -0.02 0.93 -0.73 0.00 0.00 179.01 179.19 1snl h GLU 64 N 0.00 0.00 -0.17 1.92 4.39 -1.85 -2.24 114.58 116.64 1snl h GLU 64 Ca 0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1snl h GLU 64 Cb 1.30 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.96 1snl h GLU 64 CO 0.00 0.02 -0.57 1.49 -1.16 0.00 0.00 179.01 178.80 1snl h GLU 65 N 0.00 0.68 -0.99 2.33 4.81 -0.53 -2.85 114.58 118.03 1snl h GLU 65 Ca -0.00 -0.51 0.21 0.00 -0.13 0.00 0.00 59.36 58.93 1snl h GLU 65 Cb 0.07 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.44 1snl h GLU 65 CO 0.00 1.13 0.62 0.00 -0.73 0.00 0.00 179.01 180.03 1snl h ARG 66 N 0.37 0.60 0.00 1.92 3.08 -1.58 0.47 114.38 119.24 1snl h ARG 66 Ca -0.02 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 1snl h ARG 66 Cb 1.19 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 1snl h ARG 66 CO 0.12 0.40 -0.66 -0.07 -1.07 0.00 0.00 179.97 178.68 1snl h LEU 67 N 0.62 0.00 -0.66 3.04 3.38 -1.58 0.02 115.31 120.13 1snl h LEU 67 Ca 0.56 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.46 1snl h LEU 67 Cb 1.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1snl h LEU 67 CO -0.33 0.66 0.15 -0.09 0.09 0.00 0.00 178.44 178.93 1snl h ARG 68 N 0.00 1.07 0.00 1.13 1.12 0.16 0.16 114.38 118.02 1snl h ARG 68 Ca -0.01 -0.26 -0.14 0.00 -1.11 0.00 0.00 59.98 58.46 1snl h ARG 68 Cb 1.26 -0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 31.06 1snl h ARG 68 CO 0.09 0.96 -0.76 0.52 -3.11 0.00 0.00 179.97 177.66 1snl h MET 69 N 0.99 0.00 -0.85 0.20 0.00 -1.36 -2.69 114.93 111.23 1snl h MET 69 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 59.70 59.94 1snl h MET 69 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 31.60 31.92 1snl h MET 69 CO 0.00 0.97 0.54 -0.09 0.00 0.00 0.00 176.91 178.34 1snl h ARG 70 N -1.00 1.02 0.06 1.72 2.43 -1.05 -1.04 114.38 116.52 1snl h ARG 70 Ca -0.21 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1snl h ARG 70 Cb 1.16 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1snl h ARG 70 CO -0.13 0.68 -0.03 1.49 -1.51 0.00 0.00 179.97 180.47 1snl h GLU 71 N 1.05 -0.07 -0.93 0.20 4.81 -0.82 -2.03 114.58 116.79 1snl h GLU 71 Ca 0.34 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.70 1snl h GLU 71 Cb 0.03 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.34 1snl h GLU 71 CO -0.12 0.53 0.55 1.25 -0.73 0.00 0.00 179.01 180.50 1snl h HIS 72 N -0.82 1.00 -0.03 0.92 2.76 -1.41 0.59 115.15 118.16 1snl h HIS 72 Ca -0.01 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1snl h HIS 72 Cb 0.64 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1snl h HIS 72 CO 0.15 0.37 -0.05 0.28 -1.30 0.00 0.00 177.93 177.38 1snl h VAL 73 N 0.87 1.44 0.00 5.26 2.07 -1.26 -2.27 116.25 122.35 1snl h VAL 73 Ca 0.46 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1snl h VAL 73 Cb 0.49 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1snl h VAL 73 CO -0.28 0.37 0.00 0.24 0.02 0.00 0.00 177.57 177.92 1snl h MET 74 N -0.45 0.00 0.03 1.57 2.07 -0.81 0.22 114.93 117.56 1snl h MET 74 Ca 0.00 0.00 -0.29 0.00 -2.07 0.00 0.00 59.70 57.34 1snl h MET 74 Cb 0.62 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.32 1snl h MET 74 CO 0.01 0.00 -1.64 1.57 1.07 0.00 0.00 176.91 177.93 1snl h LYS 75 N 0.00 0.07 0.00 1.72 2.10 0.25 -3.30 116.57 117.42 1snl h LYS 75 Ca 0.00 -0.12 -0.20 0.00 -2.00 0.00 0.00 60.65 58.33 1snl h LYS 75 Cb 0.39 0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 31.73 1snl h LYS 75 CO 0.00 0.74 -1.96 0.27 -2.00 0.00 0.00 179.45 176.50 1snl n ASN 76 N -3.20 1.23 -0.04 7.07 2.04 -0.86 -4.64 115.26 116.86 1snl n ASN 76 Ca -0.17 0.00 -0.13 0.00 -0.44 0.00 0.00 54.58 53.84 1snl n ASN 76 Cb 1.04 1.13 -0.14 0.00 -2.53 0.00 0.00 39.78 39.28 1snl n ASN 76 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1snl n VAL 77 N -2.42 1.62 -1.88 3.53 0.31 0.77 -4.75 118.33 115.50 1snl n VAL 77 Ca -0.18 -0.75 -0.40 0.00 -0.01 0.00 0.00 64.34 62.99 1snl n VAL 77 Cb 0.83 -1.18 -0.03 0.00 -0.91 0.00 0.00 33.84 32.55 1snl n VAL 77 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1snl s ASP 78 N -6.30 5.39 -0.14 4.52 1.01 -1.22 -4.81 116.67 115.11 1snl s ASP 78 Ca -0.13 1.06 -0.17 0.00 0.71 0.00 0.00 52.55 54.02 1snl s ASP 78 Cb 0.07 -2.52 -0.14 0.00 1.01 0.00 0.00 42.92 41.34 1snl s ASP 78 CO 0.79 -2.15 0.31 0.71 0.21 0.00 0.00 175.17 175.04 1snl h THR 79 N 7.04 0.87 -0.78 -1.27 1.35 -1.90 -3.36 112.91 114.86 1snl h THR 79 Ca -0.31 -1.75 -0.25 0.00 -0.55 0.00 0.00 66.41 63.55 1snl h THR 79 Cb 1.19 1.74 -0.15 0.00 -1.73 0.00 0.00 68.15 69.21 1snl h THR 79 CO 1.10 0.29 0.32 0.59 -0.25 0.00 0.00 175.52 177.57 1snl n ASN 80 N -4.62 4.79 -2.91 5.36 5.03 -1.26 -4.92 115.26 116.73 1snl n ASN 80 Ca -0.11 -3.27 -0.19 0.00 0.87 0.00 0.00 54.58 51.88 1snl n ASN 80 Cb 0.36 -0.76 -0.04 0.00 -1.02 0.00 0.00 39.78 38.32 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 -0.24 -1.24 -0.25 3.52 1.13 -1.26 -4.66 117.38 114.38 1snl n GLN 81 Ca 0.43 0.06 0.04 0.00 -1.94 0.00 0.00 57.00 55.60 1snl n GLN 81 Cb 1.43 -2.90 0.16 0.00 0.11 0.00 0.00 30.24 29.04 1snl n GLN 81 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1snl n ASP 82 N -1.14 2.24 0.00 1.08 2.03 -1.26 -4.82 116.55 114.68 1snl n ASP 82 Ca 0.05 -2.15 0.00 0.00 0.52 0.00 0.00 54.79 53.21 1snl n ASP 82 Cb 0.29 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 1snl n ASP 82 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1snl n ARG 83 N 0.38 0.00 -5.05 -0.67 1.74 -1.26 -4.88 116.66 106.93 1snl n ARG 83 Ca 0.11 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.90 1snl n ARG 83 Cb 0.42 -4.17 -0.16 0.00 -1.02 0.00 0.00 32.46 27.53 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 1.99 -0.14 0.55 1.02 -1.26 -3.96 118.68 116.88 1snl s LEU 84 Ca 0.00 -0.44 -0.01 0.00 0.02 0.00 0.00 54.13 53.70 1snl s LEU 84 Cb 0.00 -1.18 -0.02 0.00 0.02 0.00 0.00 46.19 45.01 1snl s LEU 84 CO 0.00 0.19 -0.11 -0.69 0.02 0.00 0.00 176.35 175.76 1snl s VAL 85 N 0.01 3.26 0.49 -1.59 1.01 -1.04 -4.86 120.40 117.68 1snl s VAL 85 Ca -0.06 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1snl s VAL 85 Cb -0.13 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1snl s VAL 85 CO 0.04 0.52 0.61 0.42 0.00 0.00 0.00 175.10 176.68 1snl s THR 86 N 0.35 2.52 0.18 3.92 -4.23 -1.26 -1.84 115.64 115.28 1snl s THR 86 Ca -0.09 -1.09 -0.01 0.00 -1.18 0.00 0.00 61.69 59.32 1snl s THR 86 Cb -0.15 -2.61 -0.09 0.00 1.34 0.00 0.00 72.50 70.98 1snl s THR 86 CO 0.05 0.00 1.45 0.25 -0.54 0.00 0.00 174.62 175.84 1snl h LEU 87 N 0.53 0.46 0.17 4.79 5.85 -2.00 -2.74 115.31 122.38 1snl h LEU 87 Ca -0.36 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.06 1snl h LEU 87 Cb 1.28 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1snl h LEU 87 CO 0.46 1.02 -0.08 -0.33 -0.34 0.00 0.00 178.44 179.17 1snl h GLU 88 N 0.27 -0.22 -0.14 1.25 5.08 -1.95 -1.83 114.58 117.05 1snl h GLU 88 Ca -0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1snl h GLU 88 Cb 1.27 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1snl h GLU 88 CO 0.12 -0.14 0.09 0.93 -1.00 0.00 0.00 179.01 179.00 1snl h GLU 89 N -0.24 0.18 0.19 2.33 4.39 -1.99 -2.82 114.58 116.63 1snl h GLU 89 Ca -0.02 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1snl h GLU 89 Cb 0.17 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1snl h GLU 89 CO 0.04 0.12 -0.09 0.35 -1.16 0.00 0.00 179.01 178.27 1snl h PHE 90 N 0.19 -0.24 -0.88 4.33 3.57 -1.44 -2.83 116.94 119.63 1snl h PHE 90 Ca 0.05 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.73 1snl h PHE 90 Cb -0.02 0.08 -0.11 0.00 2.79 0.00 0.00 35.95 38.69 1snl h PHE 90 CO 0.00 0.02 0.42 -0.07 -2.23 0.00 0.00 178.31 176.45 1snl h LEU 91 N -0.47 0.44 0.19 0.59 3.38 -1.07 -1.60 115.31 116.76 1snl h LEU 91 Ca -0.03 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1snl h LEU 91 Cb 0.36 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1snl h LEU 91 CO 0.04 0.11 -0.42 0.00 0.09 0.00 0.00 178.44 178.26 1snl h ALA 92 N 1.64 -0.79 -1.04 1.53 0.00 -1.42 2.26 119.26 121.45 1snl h ALA 92 Ca 0.52 -0.09 0.30 0.00 0.00 0.00 0.00 54.91 55.64 1snl h ALA 92 Cb 0.88 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1snl h ALA 92 CO -0.45 -1.00 0.81 1.03 0.00 0.00 0.00 179.25 179.64 1snl h SER 93 N -0.70 0.00 0.00 0.00 0.87 -1.15 0.17 113.55 112.74 1snl h SER 93 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1snl h SER 93 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1snl h SER 93 CO -0.20 0.00 -0.39 0.35 -0.53 0.00 0.00 176.83 176.06 1snl n THR 94 N -4.02 0.62 -0.30 2.23 -2.24 -0.08 -4.55 114.28 105.93 1snl n THR 94 Ca 0.22 0.35 0.06 0.00 -2.27 0.00 0.00 64.05 62.42 1snl n THR 94 Cb 1.16 -1.85 0.15 0.00 -2.10 0.00 0.00 70.33 67.69 1snl n THR 94 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1snl h GLN 95 N -0.41 0.02 -6.12 -0.78 4.20 0.38 -3.45 115.11 108.95 1snl h GLN 95 Ca 0.00 -0.00 -0.42 0.00 0.06 0.00 0.00 58.65 58.29 1snl h GLN 95 Cb 0.39 -0.01 0.07 0.00 0.30 0.00 0.00 27.48 28.23 1snl h GLN 95 CO 0.00 0.02 -0.88 0.54 -0.67 0.00 0.00 178.83 177.84 1snl n ARG 96 N -5.50 -3.15 0.11 1.46 5.12 0.60 -4.77 116.66 110.53 1snl n ARG 96 Ca 0.15 0.56 0.20 0.00 -1.93 0.00 0.00 57.85 56.83 1snl n ARG 96 Cb 0.50 -4.81 0.70 0.00 -1.16 0.00 0.00 32.46 27.70 1snl n ARG 96 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1snl h LYS 97 N -1.78 0.00 -6.00 5.56 3.64 -1.88 -3.33 116.57 112.78 1snl h LYS 97 Ca -0.63 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.28 1snl h LYS 97 Cb 1.36 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.11 1snl h LYS 97 CO 0.53 0.00 1.14 -1.21 -2.27 0.00 0.00 179.45 177.65 1snl s GLU 98 N -4.48 3.01 0.00 1.90 0.41 -1.26 -5.28 118.70 113.00 1snl s GLU 98 Ca -0.04 -0.39 0.00 0.00 -0.41 0.00 0.00 54.97 54.13 1snl s GLU 98 Cb 0.14 -4.89 0.00 0.00 -1.78 0.00 0.00 34.13 27.60 1snl s GLU 98 CO 0.47 -2.68 0.00 1.19 -0.49 0.00 0.00 175.26 173.75