#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 -1.09 0.35 1.96 1.02 -1.26 -4.95 119.74 115.78 1snl s LYS 2 Ca 0.00 -0.26 -0.28 0.00 0.02 0.00 0.00 55.97 55.44 1snl s LYS 2 Cb 0.00 -1.63 -0.10 0.00 -0.52 0.00 0.00 37.83 35.58 1snl s LYS 2 CO 0.00 -3.59 1.34 -1.21 -0.92 0.00 0.00 175.35 170.97 1snl s GLU 3 N -5.61 4.25 0.12 1.68 8.01 -1.26 -4.92 118.70 120.97 1snl s GLU 3 Ca 0.73 2.28 -0.31 0.00 0.01 0.00 0.00 54.97 57.68 1snl s GLU 3 Cb -0.06 -3.00 -0.09 0.00 -4.31 0.00 0.00 34.13 26.66 1snl s GLU 3 CO 0.55 -0.30 1.61 0.08 0.01 0.00 0.00 175.26 177.21 1snl s VAL 4 N -1.15 2.83 -0.30 2.63 1.01 -1.26 -4.88 120.40 119.27 1snl s VAL 4 Ca 0.51 0.46 -0.28 0.00 0.00 0.00 0.00 61.98 62.67 1snl s VAL 4 Cb -0.41 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1snl s VAL 4 CO 0.54 0.02 1.99 0.26 0.00 0.00 0.00 175.10 177.91 1snl s TRP 5 N 1.90 1.53 -0.44 5.22 0.52 -1.26 -4.79 118.94 121.61 1snl s TRP 5 Ca 0.72 0.64 0.05 0.00 0.02 0.00 0.00 56.10 57.53 1snl s TRP 5 Cb -0.42 -4.03 0.28 0.00 -1.15 0.00 0.00 33.47 28.15 1snl s TRP 5 CO 0.32 -3.34 1.06 -1.91 0.02 0.00 0.00 176.95 173.10 1snl n GLU 6 N 8.61 0.71 -3.53 4.98 2.13 -1.26 -5.15 120.64 127.13 1snl n GLU 6 Ca 0.26 -1.56 -0.09 0.00 0.66 0.00 0.00 57.16 56.43 1snl n GLU 6 Cb 0.47 -1.03 -0.03 0.00 0.27 0.00 0.00 31.44 31.11 1snl n GLU 6 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1snl s GLU 7 N 0.42 0.72 -0.14 5.31 2.12 -1.26 -5.15 118.70 120.72 1snl s GLU 7 Ca 0.27 -0.13 -0.06 0.00 0.36 0.00 0.00 54.97 55.41 1snl s GLU 7 Cb 0.25 0.33 0.06 0.00 0.26 0.00 0.00 34.13 35.04 1snl s GLU 7 CO -0.16 -0.29 0.32 -1.17 -0.54 0.00 0.00 175.26 173.43 1snl s LEU 8 N -1.98 -0.09 -1.12 2.70 2.96 -1.26 -5.02 118.68 114.87 1snl s LEU 8 Ca 0.03 0.72 -0.05 0.00 -0.22 0.00 0.00 54.13 54.60 1snl s LEU 8 Cb -0.01 0.99 0.28 0.00 0.50 0.00 0.00 46.19 47.95 1snl s LEU 8 CO -0.05 -0.20 1.56 0.47 -1.32 0.00 0.00 176.35 176.81 1snl n ASP 9 N 4.74 6.15 0.00 3.68 9.92 -1.26 -4.56 116.55 135.21 1snl n ASP 9 Ca -0.17 -3.35 0.00 0.00 -0.53 0.00 0.00 54.79 50.75 1snl n ASP 9 Cb 0.52 -1.32 0.00 0.00 -0.64 0.00 0.00 41.12 39.68 1snl n ASP 9 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1snl n GLY 10 N 1.65 -1.88 0.00 0.44 0.00 -1.26 -5.11 105.19 99.03 1snl n GLY 10 Ca 0.29 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 -1.80 0.00 -3.66 0.99 4.77 -1.26 -5.16 117.00 110.87 1snl n LEU 11 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1snl n LEU 11 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1snl n LEU 11 CO 0.00 0.00 0.22 1.51 -1.33 0.00 0.00 177.39 177.79 1snl s ASP 12 N 1.00 -0.27 0.17 -1.43 1.47 -1.26 -5.04 116.67 111.32 1snl s ASP 12 Ca 0.00 -0.36 -0.14 0.00 1.18 0.00 0.00 52.55 53.23 1snl s ASP 12 Cb 0.00 0.52 0.09 0.00 -0.34 0.00 0.00 42.92 43.19 1snl s ASP 12 CO 0.00 -0.93 1.81 1.55 0.68 0.00 0.00 175.17 178.28 1snl h PRO 13 N 2.28 0.58 0.00 2.11 0.13 -1.95 -3.41 132.00 131.74 1snl h PRO 13 Ca -0.32 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1snl h PRO 13 Cb 1.26 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1snl h PRO 13 CO 0.43 0.39 0.00 0.27 -0.23 0.00 0.00 178.00 178.85 1snl n ASN 14 N -4.80 0.00 -3.68 1.44 0.23 -1.26 -5.13 115.26 102.06 1snl n ASN 14 Ca 0.03 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.10 1snl n ASN 14 Cb 0.07 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 1snl n ASN 14 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1snl s ARG 15 N 0.26 0.44 -0.56 -3.83 1.70 -1.26 -5.07 118.95 110.63 1snl s ARG 15 Ca 0.00 -0.26 -0.26 0.00 -0.47 0.00 0.00 55.73 54.73 1snl s ARG 15 Cb 0.00 0.14 -0.09 0.00 -0.57 0.00 0.00 34.95 34.43 1snl s ARG 15 CO 0.00 -0.20 2.44 0.34 -1.08 0.00 0.00 175.30 176.79 1snl n PHE 16 N -0.66 1.34 -3.47 5.89 7.35 -1.26 -4.82 117.46 121.82 1snl n PHE 16 Ca -0.04 0.12 -0.27 0.00 -0.76 0.00 0.00 57.45 56.51 1snl n PHE 16 Cb 0.61 -2.61 -0.10 0.00 0.35 0.00 0.00 39.48 37.73 1snl n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1snl n ASN 17 N 15.85 0.07 0.00 -2.13 4.05 -1.26 -4.94 115.26 126.90 1snl n ASN 17 Ca 0.40 -2.51 0.00 0.00 0.45 0.00 0.00 54.58 52.92 1snl n ASN 17 Cb 0.50 -0.58 0.00 0.00 1.23 0.00 0.00 39.78 40.93 1snl n ASN 17 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1snl n PRO 18 N 2.69 0.00 -0.19 1.20 -0.02 -1.26 -2.07 135.00 135.35 1snl n PRO 18 Ca 0.28 0.41 -0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1snl n PRO 18 Cb 0.46 -1.52 0.24 0.00 -0.02 0.00 0.00 33.50 32.66 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 0.93 -0.31 -0.52 3.64 -1.98 -2.65 116.57 115.68 1snl h LYS 19 Ca 0.00 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.13 1snl h LYS 19 Cb 0.04 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1snl h LYS 19 CO 0.00 0.66 -0.47 1.15 -2.27 0.00 0.00 179.45 178.52 1snl h THR 20 N 0.95 1.28 -1.00 1.00 2.02 -1.86 -2.88 112.91 112.41 1snl h THR 20 Ca 0.25 -1.66 0.09 0.00 0.77 0.00 0.00 66.41 65.86 1snl h THR 20 Cb -0.02 1.54 -0.07 0.00 -1.74 0.00 0.00 68.15 67.85 1snl h THR 20 CO -0.04 0.54 0.64 0.15 0.37 0.00 0.00 175.52 177.18 1snl h PHE 21 N 0.67 1.18 -0.47 3.16 3.04 -1.66 -0.45 116.94 122.41 1snl h PHE 21 Ca 0.03 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.95 1snl h PHE 21 Cb 1.06 -0.38 -0.02 0.00 2.56 0.00 0.00 35.95 39.17 1snl h PHE 21 CO 0.06 0.55 0.01 0.35 -2.02 0.00 0.00 178.31 177.26 1snl h PHE 22 N 1.10 0.81 0.38 0.41 3.04 -1.34 -2.39 116.94 118.95 1snl h PHE 22 Ca 0.46 -0.11 -0.02 0.00 3.98 0.00 0.00 57.97 62.29 1snl h PHE 22 Cb 0.31 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1snl h PHE 22 CO -0.00 0.75 -0.18 0.82 -2.02 0.00 0.00 178.31 177.68 1snl h ILE 23 N 0.72 0.00 -1.09 1.41 2.04 -0.93 -2.56 117.51 117.11 1snl h ILE 23 Ca 0.14 -0.50 0.31 0.00 1.00 0.00 0.00 64.86 65.81 1snl h ILE 23 Cb 0.43 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.39 1snl h ILE 23 CO 0.02 0.00 0.68 0.25 0.00 0.00 0.00 178.15 179.10 1snl h LEU 24 N -1.00 0.45 -0.38 1.44 7.12 -1.28 1.64 115.31 123.29 1snl h LEU 24 Ca -0.05 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.08 1snl h LEU 24 Cb 0.39 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.58 1snl h LEU 24 CO 0.08 -0.01 0.00 1.41 -0.13 0.00 0.00 178.44 179.80 1snl n HIS 25 N -4.75 0.88 -2.37 1.25 8.25 -0.90 -4.48 115.22 113.10 1snl n HIS 25 Ca 0.29 0.30 -0.37 0.00 -0.26 0.00 0.00 57.72 57.68 1snl n HIS 25 Cb 1.00 -0.99 -0.04 0.00 1.12 0.00 0.00 29.99 31.08 1snl n HIS 25 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1snl s ASP 26 N -4.39 5.95 -0.08 0.41 1.01 0.56 -4.82 116.67 115.31 1snl s ASP 26 Ca 0.07 -0.84 -0.22 0.00 0.71 0.00 0.00 52.55 52.27 1snl s ASP 26 Cb 0.11 -2.56 -0.18 0.00 1.01 0.00 0.00 42.92 41.30 1snl s ASP 26 CO 0.49 -1.99 0.81 0.40 0.21 0.00 0.00 175.17 175.09 1snl h ILE 27 N 6.77 1.09 -0.22 0.77 2.04 -1.81 -3.24 117.51 122.91 1snl h ILE 27 Ca 0.02 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.43 1snl h ILE 27 Cb 1.03 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1snl h ILE 27 CO 1.32 0.31 0.00 0.59 0.00 0.00 0.00 178.15 180.37 1snl n ASN 28 N -4.81 1.77 -4.18 1.72 5.03 -1.26 -4.90 115.26 108.63 1snl n ASN 28 Ca -0.08 -2.12 -0.31 0.00 0.87 0.00 0.00 54.58 52.94 1snl n ASN 28 Cb 0.29 -0.32 -0.06 0.00 -1.02 0.00 0.00 39.78 38.68 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 0.20 -0.14 -0.41 6.41 2.88 -1.22 -4.80 113.62 116.54 1snl n SER 29 Ca 0.08 -1.20 0.12 0.00 -1.33 0.00 0.00 58.87 56.54 1snl n SER 29 Cb 0.34 -2.04 0.23 0.00 -0.75 0.00 0.00 64.21 61.99 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 -2.83 1.58 0.00 -3.46 2.03 -1.26 -4.91 116.55 107.70 1snl n ASP 30 Ca -0.29 -1.26 0.00 0.00 0.52 0.00 0.00 54.79 53.76 1snl n ASP 30 Cb 0.68 0.24 0.00 0.00 -0.72 0.00 0.00 41.12 41.32 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 1.35 1.23 3.16 0.27 0.00 -1.26 -4.97 105.19 104.97 1snl n GLY 31 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.41 0.11 -0.11 1.61 -7.23 -1.26 -3.67 120.40 106.45 1snl s VAL 32 Ca 0.00 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.33 1snl s VAL 32 Cb 0.00 -1.98 -0.00 0.00 0.56 0.00 0.00 36.38 34.96 1snl s VAL 32 CO 0.00 -0.50 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.31 1snl s LEU 33 N -3.03 2.26 0.39 1.32 1.02 -1.05 -4.98 118.68 114.62 1snl s LEU 33 Ca 0.22 -0.50 0.08 0.00 0.02 0.00 0.00 54.13 53.95 1snl s LEU 33 Cb 0.07 -1.46 -0.03 0.00 0.02 0.00 0.00 46.19 44.79 1snl s LEU 33 CO 0.01 0.16 0.32 1.51 0.02 0.00 0.00 176.35 178.36 1snl s ASP 34 N 0.36 4.99 0.00 2.29 -4.77 -1.26 -2.55 116.67 115.73 1snl s ASP 34 Ca -0.16 -0.74 0.00 0.00 -3.30 0.00 0.00 52.55 48.35 1snl s ASP 34 Cb -0.17 -0.65 0.00 0.00 -1.09 0.00 0.00 42.92 41.01 1snl s ASP 34 CO 0.08 -0.55 0.71 1.21 0.70 0.00 0.00 175.17 177.31 1snl n GLU 35 N -1.44 0.00 0.08 2.11 2.13 -1.23 0.17 120.64 122.46 1snl n GLU 35 Ca 0.01 0.24 -0.21 0.00 0.66 0.00 0.00 57.16 57.86 1snl n GLU 35 Cb 0.62 -1.70 -0.15 0.00 0.27 0.00 0.00 31.44 30.48 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 0.36 0.00 5.31 1.08 -1.92 -1.91 115.11 118.03 1snl h GLN 36 Ca 0.00 -0.62 -0.18 0.00 -1.45 0.00 0.00 58.65 56.40 1snl h GLN 36 Cb 0.40 0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 28.04 1snl h GLN 36 CO 0.00 1.26 -0.86 0.93 -0.95 0.00 0.00 178.83 179.21 1snl h GLU 37 N 0.10 0.00 0.13 1.46 5.08 -0.65 -1.62 114.58 119.08 1snl h GLU 37 Ca -0.29 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.78 1snl h GLU 37 Cb 2.08 0.00 0.03 0.00 0.50 0.00 0.00 28.75 31.36 1snl h GLU 37 CO 0.19 0.86 -1.21 -0.07 -1.00 0.00 0.00 179.01 177.78 1snl h LEU 38 N 0.00 0.84 -0.23 1.33 4.07 -1.54 -1.64 115.31 118.14 1snl h LEU 38 Ca -0.01 -0.84 -0.08 0.00 0.08 0.00 0.00 57.88 57.04 1snl h LEU 38 Cb 1.56 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 43.03 1snl h LEU 38 CO 0.11 1.59 -0.16 -0.33 -1.08 0.00 0.00 178.44 178.57 1snl h GLU 39 N 0.21 0.52 0.00 1.13 4.39 -1.38 -2.82 114.58 116.64 1snl h GLU 39 Ca -0.19 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.18 1snl h GLU 39 Cb 1.89 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.53 1snl h GLU 39 CO 0.23 0.82 -0.39 0.00 -1.16 0.00 0.00 179.01 178.51 1snl h ALA 40 N 0.69 1.15 0.00 3.43 0.00 -1.38 -2.95 119.26 120.20 1snl h ALA 40 Ca 0.05 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1snl h ALA 40 Cb 0.69 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1snl h ALA 40 CO 0.04 0.49 -0.44 1.25 0.00 0.00 0.00 179.25 180.59 1snl h LEU 41 N 0.00 0.00 0.22 0.00 5.85 -1.17 -2.73 115.31 117.48 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 0.79 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.85 1snl h LEU 41 CO 0.05 0.44 -1.63 -0.26 -0.34 0.00 0.00 178.44 176.70 1snl h PHE 42 N 0.00 0.85 -0.18 1.25 0.04 -1.34 -2.98 116.94 114.57 1snl h PHE 42 Ca -0.00 -0.62 -0.17 0.00 2.80 0.00 0.00 57.97 59.97 1snl h PHE 42 Cb 1.11 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.23 1snl h PHE 42 CO 0.00 1.63 -0.56 1.15 -0.60 0.00 0.00 178.31 179.93 1snl h THR 43 N 0.13 1.31 0.03 -1.55 2.02 -1.59 -2.99 112.91 110.27 1snl h THR 43 Ca -0.30 -1.79 -0.00 0.00 0.77 0.00 0.00 66.41 65.09 1snl h THR 43 Cb 2.14 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 70.47 1snl h THR 43 CO 0.23 0.56 -0.01 0.11 0.37 0.00 0.00 175.52 176.77 1snl h LYS 44 N 0.40 -0.04 -0.77 6.66 6.56 -1.64 -0.75 116.57 127.00 1snl h LYS 44 Ca -0.02 0.00 0.22 0.00 -1.06 0.00 0.00 60.65 59.80 1snl h LYS 44 Cb 1.18 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.82 1snl h LYS 44 CO 0.12 0.61 0.61 1.05 -2.06 0.00 0.00 179.45 179.78 1snl h GLU 45 N -0.74 0.00 0.11 3.15 4.11 -1.64 0.29 114.58 119.86 1snl h GLU 45 Ca -0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.12 1snl h GLU 45 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1snl h GLU 45 CO 0.01 0.00 -1.54 1.25 0.07 0.00 0.00 179.01 178.80 1snl h LEU 46 N 0.00 0.35 -1.63 3.06 5.85 -1.41 -3.32 115.31 118.22 1snl h LEU 46 Ca 0.36 -0.50 0.20 0.00 0.84 0.00 0.00 57.88 58.78 1snl h LEU 46 Cb 1.58 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.44 1snl h LEU 46 CO -0.00 1.42 0.57 -0.08 -0.34 0.00 0.00 178.44 180.00 1snl h GLU 47 N 0.06 0.31 -0.73 1.25 4.22 0.11 0.52 114.58 120.33 1snl h GLU 47 Ca -0.24 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.18 1snl h GLU 47 Cb 2.01 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.19 1snl h GLU 47 CO 0.15 0.21 0.00 0.36 -2.18 0.00 0.00 179.01 177.55 1snl n LYS 48 N -4.46 1.29 0.05 1.92 2.85 -1.06 -4.06 118.16 114.69 1snl n LYS 48 Ca 0.18 -0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1snl n LYS 48 Cb 0.70 -1.43 0.00 0.00 -0.65 0.00 0.00 35.03 33.65 1snl n LYS 48 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1snl n VAL 49 N -0.04 1.15 0.00 0.58 0.31 0.18 -5.07 118.33 115.43 1snl n VAL 49 Ca 0.02 0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 1snl n VAL 49 Cb 0.26 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 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 -3.47 0.00 -2.69 3.52 4.01 -1.11 -5.09 117.16 112.33 1snl n TYR 50 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 1snl n TYR 50 Cb 0.03 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.09 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 0.00 -1.85 -0.38 7.72 5.75 -1.26 -5.00 116.55 121.53 1snl n ASP 51 Ca 0.00 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 1snl n ASP 51 Cb 0.00 0.95 0.00 0.00 -1.03 0.00 0.00 41.12 41.04 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 2.51 0.29 0.00 0.11 -0.04 -1.26 -1.48 135.00 135.12 1snl n PRO 52 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1snl n PRO 52 Cb 0.64 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 1snl n PRO 52 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1snl n LYS 53 N 0.15 0.33 -0.20 0.54 0.00 -1.26 -4.80 118.16 112.92 1snl n LYS 53 Ca 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 58.31 57.80 1snl n LYS 53 Cb 0.06 -0.59 0.00 0.00 -0.00 0.00 0.00 35.03 34.49 1snl n LYS 53 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1snl n ASN 54 N -0.07 0.00 -3.72 -5.58 5.03 -0.55 -5.08 115.26 105.29 1snl n ASN 54 Ca 0.00 -1.38 -0.13 0.00 0.87 0.00 0.00 54.58 53.94 1snl n ASN 54 Cb 0.38 -0.08 -0.09 0.00 -1.02 0.00 0.00 39.78 38.97 1snl n ASN 54 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1snl s GLU 55 N 0.00 0.55 0.00 3.52 2.56 -1.14 -5.01 118.70 119.18 1snl s GLU 55 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 54.97 55.53 1snl s GLU 55 Cb 0.00 0.26 0.00 0.00 2.00 0.00 0.00 34.13 36.39 1snl s GLU 55 CO 0.00 -0.08 1.04 0.39 -0.56 0.00 0.00 175.26 176.05 1snl n GLU 56 N 2.69 0.96 0.05 4.30 4.71 -1.26 -4.03 120.64 128.05 1snl n GLU 56 Ca -0.14 0.00 0.10 0.00 -0.01 0.00 0.00 57.16 57.11 1snl n GLU 56 Cb 0.57 -1.02 0.42 0.00 -1.01 0.00 0.00 31.44 30.40 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 0.61 0.29 -0.66 1.62 5.75 -1.26 -4.82 116.55 118.07 1snl n ASP 57 Ca 0.00 0.56 -0.04 0.00 -0.01 0.00 0.00 54.79 55.30 1snl n ASP 57 Cb 0.48 -0.62 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 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 -1.80 -1.73 -3.83 -1.12 8.00 -1.26 -0.88 116.55 113.93 1snl n ASP 58 Ca 0.04 0.09 -0.24 0.00 0.71 0.00 0.00 54.79 55.39 1snl n ASP 58 Cb 0.24 -1.64 0.01 0.00 -0.02 0.00 0.00 41.12 39.71 1snl n ASP 58 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1snl n MET 59 N -0.66 -4.24 0.07 -1.24 2.81 -1.26 -4.85 117.12 107.74 1snl n MET 59 Ca -0.04 0.52 0.00 0.00 -1.81 0.00 0.00 57.70 56.38 1snl n MET 59 Cb 0.18 -4.93 0.00 0.00 -0.71 0.00 0.00 33.22 27.77 1snl n MET 59 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1snl n ARG 60 N -4.35 0.00 0.25 0.03 0.63 -0.05 -4.63 116.66 108.54 1snl n ARG 60 Ca -0.28 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.70 1snl n ARG 60 Cb 0.67 -0.27 0.25 0.00 0.45 0.00 0.00 32.46 33.55 1snl n ARG 60 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1snl h GLU 61 N 0.00 0.00 -0.03 -0.14 4.39 -1.89 2.66 114.58 119.57 1snl h GLU 61 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1snl h GLU 61 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1snl h GLU 61 CO 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 179.01 177.81 1snl n MET 62 N -2.28 2.07 0.21 2.33 0.00 -1.26 -4.46 117.12 113.73 1snl n MET 62 Ca -0.01 -1.78 0.03 0.00 0.00 0.00 0.00 57.70 55.94 1snl n MET 62 Cb 0.66 -1.43 0.15 0.00 0.00 0.00 0.00 33.22 32.59 1snl n MET 62 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 1snl h GLU 63 N 4.27 0.00 0.78 3.17 4.11 0.44 0.13 114.58 127.48 1snl h GLU 63 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1snl h GLU 63 Cb 0.93 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.18 1snl h GLU 63 CO 0.00 0.00 -0.37 0.93 0.07 0.00 0.00 179.01 179.64 1snl h GLU 64 N 0.00 -1.01 -0.46 1.06 5.08 -1.78 -1.89 114.58 115.59 1snl h GLU 64 Ca 0.00 0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1snl h GLU 64 Cb 1.31 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 1snl h GLU 64 CO 0.00 -0.66 0.13 0.93 -1.00 0.00 0.00 179.01 178.42 1snl h GLU 65 N -1.16 0.68 -0.26 2.33 4.39 -1.11 0.15 114.58 119.59 1snl h GLU 65 Ca -0.11 -0.12 0.06 0.00 0.34 0.00 0.00 59.36 59.53 1snl h GLU 65 Cb 0.82 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.30 1snl h GLU 65 CO 0.18 0.60 -0.09 -0.09 -1.16 0.00 0.00 179.01 178.45 1snl h ARG 66 N 0.67 -0.04 0.00 2.33 2.43 -1.38 -1.66 114.38 116.73 1snl h ARG 66 Ca 0.15 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.19 1snl h ARG 66 Cb 0.22 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1snl h ARG 66 CO -0.01 -0.03 -0.66 1.37 -1.51 0.00 0.00 179.97 179.14 1snl h LEU 67 N -0.04 0.00 -1.09 3.80 8.10 -1.01 -2.79 115.31 122.27 1snl h LEU 67 Ca 0.13 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.12 1snl h LEU 67 Cb 0.24 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.42 1snl h LEU 67 CO -0.29 0.66 0.50 -0.09 -4.11 0.00 0.00 178.44 175.11 1snl h ARG 68 N 0.00 1.13 0.00 0.17 1.12 0.12 -2.09 114.38 114.82 1snl h ARG 68 Ca -0.01 -0.10 -0.09 0.00 -1.11 0.00 0.00 59.98 58.68 1snl h ARG 68 Cb 1.49 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 31.20 1snl h ARG 68 CO 0.09 0.79 -0.47 0.52 -3.11 0.00 0.00 179.97 177.78 1snl h MET 69 N 1.15 0.00 -0.63 0.20 0.00 -1.38 -3.02 114.93 111.25 1snl h MET 69 Ca 0.30 0.00 0.18 0.00 0.00 0.00 0.00 59.70 60.18 1snl h MET 69 Cb -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 31.60 31.52 1snl h MET 69 CO -0.06 0.96 0.62 -0.09 0.00 0.00 0.00 176.91 178.34 1snl h ARG 70 N -1.00 0.00 0.00 1.72 2.43 -1.47 -1.81 114.38 114.25 1snl h ARG 70 Ca -0.13 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.94 1snl h ARG 70 Cb 1.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1snl h ARG 70 CO -0.08 0.00 -0.59 0.93 -1.51 0.00 0.00 179.97 178.72 1snl h GLU 71 N 0.00 0.00 -1.00 0.20 4.39 -1.46 -2.93 114.58 113.78 1snl h GLU 71 Ca 0.30 0.00 0.12 0.00 0.34 0.00 0.00 59.36 60.12 1snl h GLU 71 Cb 1.53 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 30.10 1snl h GLU 71 CO -0.00 0.82 0.63 1.25 -1.16 0.00 0.00 179.01 180.55 1snl h HIS 72 N -1.00 1.14 0.12 4.33 2.76 -1.26 0.66 115.15 121.90 1snl h HIS 72 Ca -0.15 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.05 1snl h HIS 72 Cb 1.00 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.60 1snl h HIS 72 CO 0.13 0.46 -0.06 0.28 -1.30 0.00 0.00 177.93 177.45 1snl h VAL 73 N 1.00 0.98 0.00 5.26 2.07 -1.51 0.24 116.25 124.30 1snl h VAL 73 Ca 0.49 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1snl h VAL 73 Cb 0.47 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1snl h VAL 73 CO -0.26 0.26 -0.06 0.24 0.02 0.00 0.00 177.57 177.78 1snl h MET 74 N -0.83 0.00 0.08 1.57 2.07 -1.29 0.39 114.93 116.92 1snl h MET 74 Ca -0.02 0.00 -0.33 0.00 -2.07 0.00 0.00 59.70 57.28 1snl h MET 74 Cb 0.55 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.26 1snl h MET 74 CO 0.03 0.06 -1.83 -0.22 1.07 0.00 0.00 176.91 176.01 1snl h LYS 75 N 0.00 0.17 -0.00 1.72 3.64 0.35 -3.20 116.57 119.25 1snl h LYS 75 Ca -0.00 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1snl h LYS 75 Cb 0.24 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1snl h LYS 75 CO 0.01 0.95 -0.89 0.09 -2.27 0.00 0.00 179.45 177.34 1snl n ASN 76 N -3.32 1.20 -0.01 4.20 5.03 0.07 -4.60 115.26 117.82 1snl n ASN 76 Ca -0.24 -1.10 -0.01 0.00 0.87 0.00 0.00 54.58 54.10 1snl n ASN 76 Cb 1.05 0.89 -0.01 0.00 -1.02 0.00 0.00 39.78 40.69 1snl n ASN 76 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1snl n VAL 77 N -1.20 0.11 -1.48 2.41 0.31 0.14 -4.95 118.33 113.66 1snl n VAL 77 Ca 0.05 -0.07 -0.43 0.00 -0.01 0.00 0.00 64.34 63.88 1snl n VAL 77 Cb 0.36 -0.90 -0.09 0.00 -0.91 0.00 0.00 33.84 32.30 1snl n VAL 77 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1snl n ASP 78 N -2.14 1.42 -0.01 4.52 5.75 -1.20 -4.79 116.55 120.11 1snl n ASP 78 Ca -0.03 0.07 -0.01 0.00 -0.01 0.00 0.00 54.79 54.81 1snl n ASP 78 Cb 0.55 -1.21 -0.00 0.00 -1.03 0.00 0.00 41.12 39.43 1snl n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1snl h THR 79 N 7.60 0.00 -0.52 2.12 1.03 -1.91 -3.38 112.91 117.85 1snl h THR 79 Ca -0.17 -0.60 -0.22 0.00 -0.01 0.00 0.00 66.41 65.41 1snl h THR 79 Cb 1.31 0.00 -0.13 0.00 -1.07 0.00 0.00 68.15 68.26 1snl h THR 79 CO 1.20 0.00 0.14 -3.20 -0.01 0.00 0.00 175.52 173.65 1snl n ASN 80 N -3.83 3.39 -2.41 0.00 4.05 -1.26 -4.93 115.26 110.27 1snl n ASN 80 Ca -0.01 -3.50 -0.05 0.00 0.45 0.00 0.00 54.58 51.47 1snl n ASN 80 Cb 0.02 -0.68 -0.01 0.00 1.23 0.00 0.00 39.78 40.35 1snl n ASN 80 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1snl n GLN 81 N -0.85 -2.41 -0.25 1.20 1.13 -1.26 -4.65 117.38 110.29 1snl n GLN 81 Ca 0.37 0.02 0.03 0.00 -1.94 0.00 0.00 57.00 55.48 1snl n GLN 81 Cb 1.19 -3.77 0.14 0.00 0.11 0.00 0.00 30.24 27.91 1snl n GLN 81 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1snl n ASP 82 N -1.34 2.20 0.00 1.08 8.00 -1.26 -4.80 116.55 120.43 1snl n ASP 82 Ca 0.01 -2.20 0.00 0.00 0.71 0.00 0.00 54.79 53.32 1snl n ASP 82 Cb 0.41 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1snl n ASP 82 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1snl n ARG 83 N 0.26 0.00 -5.06 -1.24 1.74 -1.26 -4.89 116.66 106.21 1snl n ARG 83 Ca 0.10 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 1snl n ARG 83 Cb 0.44 -4.01 -0.16 0.00 -1.02 0.00 0.00 32.46 27.70 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 -3.50 118.68 117.34 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 -1.20 -0.02 0.00 0.02 0.00 0.00 46.19 44.99 1snl s LEU 84 CO 0.00 0.18 -0.10 -0.69 0.02 0.00 0.00 176.35 175.76 1snl s VAL 85 N 0.04 3.30 0.47 -1.59 1.01 -1.06 -4.76 120.40 117.82 1snl s VAL 85 Ca -0.07 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1snl s VAL 85 Cb -0.14 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.85 1snl s VAL 85 CO 0.04 0.51 0.68 0.42 0.00 0.00 0.00 175.10 176.75 1snl s THR 86 N 0.40 3.39 0.17 3.92 -4.23 -1.26 -2.52 115.64 115.51 1snl s THR 86 Ca -0.08 -0.66 -0.07 0.00 -1.18 0.00 0.00 61.69 59.69 1snl s THR 86 Cb -0.15 -3.24 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 1snl s THR 86 CO 0.04 -0.15 1.50 0.25 -0.54 0.00 0.00 174.62 175.72 1snl h LEU 87 N 0.34 0.84 0.06 4.79 7.12 -1.99 -2.33 115.31 124.15 1snl h LEU 87 Ca -0.44 -0.40 -0.00 0.00 0.13 0.00 0.00 57.88 57.17 1snl h LEU 87 Cb 1.27 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.16 1snl h LEU 87 CO 0.54 1.16 -0.03 -0.33 -0.13 0.00 0.00 178.44 179.64 1snl h GLU 88 N 0.63 -0.08 -0.50 1.25 5.08 -1.94 -2.06 114.58 116.95 1snl h GLU 88 Ca 0.04 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1snl h GLU 88 Cb 1.01 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1snl h GLU 88 CO 0.10 -0.05 0.34 0.93 -1.00 0.00 0.00 179.01 179.33 1snl h GLU 89 N -0.08 0.25 -0.10 2.33 3.07 -1.98 -2.27 114.58 115.80 1snl h GLU 89 Ca -0.01 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1snl h GLU 89 Cb 0.06 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1snl h GLU 89 CO 0.01 0.17 0.05 0.35 -1.40 0.00 0.00 179.01 178.19 1snl h PHE 90 N 0.26 0.13 -0.53 4.33 3.57 -1.27 -2.67 116.94 120.76 1snl h PHE 90 Ca 0.23 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.83 1snl h PHE 90 Cb 0.58 -0.04 -0.09 0.00 2.79 0.00 0.00 35.95 39.19 1snl h PHE 90 CO -0.00 0.17 0.01 -0.07 -2.23 0.00 0.00 178.31 176.19 1snl h LEU 91 N 0.06 -0.21 -0.38 0.59 3.38 -0.76 -2.10 115.31 115.88 1snl h LEU 91 Ca 0.03 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1snl h LEU 91 Cb 0.09 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1snl h LEU 91 CO -0.01 -0.07 -0.55 0.00 0.09 0.00 0.00 178.44 177.90 1snl h ALA 92 N 1.47 -0.79 -0.90 1.53 0.00 -1.40 1.82 119.26 120.99 1snl h ALA 92 Ca 0.27 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.43 1snl h ALA 92 Cb 0.41 1.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1snl h ALA 92 CO -0.44 -1.06 0.75 1.03 0.00 0.00 0.00 179.25 179.54 1snl h SER 93 N -0.42 0.00 0.00 0.00 0.87 -1.22 -2.73 113.55 110.04 1snl h SER 93 Ca 0.07 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 1snl h SER 93 Cb 0.61 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1snl h SER 93 CO -0.58 0.00 -1.11 0.35 -0.53 0.00 0.00 176.83 174.96 1snl n THR 94 N -3.92 1.48 -1.67 2.23 -2.24 0.14 -4.88 114.28 105.42 1snl n THR 94 Ca 0.19 0.07 -0.50 0.00 -2.27 0.00 0.00 64.05 61.54 1snl n THR 94 Cb 1.06 -2.27 -0.05 0.00 -2.10 0.00 0.00 70.33 66.97 1snl n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1snl n GLN 95 N -4.47 1.87 -3.41 -0.78 6.02 0.57 -4.92 117.38 112.25 1snl n GLN 95 Ca -0.20 0.68 0.02 0.00 -0.01 0.00 0.00 57.00 57.49 1snl n GLN 95 Cb 0.51 -2.45 -0.03 0.00 1.02 0.00 0.00 30.24 29.29 1snl n GLN 95 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1snl s ARG 96 N 2.69 0.40 -0.06 -1.09 3.52 -1.26 -4.72 118.95 118.43 1snl s ARG 96 Ca 0.89 0.94 -0.04 0.00 -0.13 0.00 0.00 55.73 57.38 1snl s ARG 96 Cb -0.79 0.56 0.02 0.00 -1.56 0.00 0.00 34.95 33.18 1snl s ARG 96 CO 0.50 -0.21 0.09 1.63 -0.81 0.00 0.00 175.30 176.50 1snl n LYS 97 N 5.23 -3.98 -1.99 5.12 4.76 -1.26 -4.58 118.16 121.46 1snl n LYS 97 Ca -0.09 2.95 -0.26 0.00 -2.87 0.00 0.00 58.31 58.05 1snl n LYS 97 Cb 0.51 -3.94 -0.07 0.00 -1.84 0.00 0.00 35.03 29.70 1snl n LYS 97 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1snl s GLU 98 N -0.49 2.30 0.00 1.97 2.02 -1.26 -5.27 118.70 117.97 1snl s GLU 98 Ca -0.10 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 53.92 1snl s GLU 98 Cb 0.01 -5.18 0.00 0.00 0.10 0.00 0.00 34.13 29.05 1snl s GLU 98 CO 0.28 -4.15 0.00 0.34 0.02 0.00 0.00 175.26 171.75