#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snl n LYS 2 N 0.00 0.79 -3.64 3.23 5.02 -1.26 -5.10 118.16 117.20 1snl n LYS 2 Ca 0.00 -2.62 -0.05 0.00 -2.02 0.00 0.00 58.31 53.61 1snl n LYS 2 Cb 0.00 -1.34 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 1snl n LYS 2 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1snl s GLU 3 N -0.57 0.44 0.00 1.97 2.56 -1.26 -5.04 118.70 116.79 1snl s GLU 3 Ca 0.33 0.64 0.00 0.00 0.00 0.00 0.00 54.97 55.95 1snl s GLU 3 Cb 0.22 0.15 0.00 0.00 2.00 0.00 0.00 34.13 36.50 1snl s GLU 3 CO -0.15 -0.07 0.00 0.28 -0.56 0.00 0.00 175.26 174.76 1snl n VAL 4 N 3.06 0.00 -1.58 3.70 0.31 -1.26 -5.06 118.33 117.50 1snl n VAL 4 Ca -0.16 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 63.71 1snl n VAL 4 Cb 0.57 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.45 1snl n VAL 4 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38 1snl n TRP 5 N -0.00 2.01 -1.03 3.52 -0.00 -1.26 -4.80 117.44 115.88 1snl n TRP 5 Ca 0.00 -0.03 -0.19 0.00 -0.00 0.00 0.00 57.50 57.28 1snl n TRP 5 Cb 0.00 -2.67 -0.12 0.00 -0.00 0.00 0.00 31.31 28.52 1snl n TRP 5 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1snl n GLU 6 N 8.02 2.37 0.00 5.87 4.07 -1.26 -4.94 120.64 134.77 1snl n GLU 6 Ca 0.30 -1.29 0.00 0.00 -0.06 0.00 0.00 57.16 56.11 1snl n GLU 6 Cb 0.35 -2.21 0.00 0.00 -0.06 0.00 0.00 31.44 29.53 1snl n GLU 6 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1snl n GLU 7 N 2.88 0.00 -3.64 5.31 1.02 -1.26 -4.87 120.64 120.07 1snl n GLU 7 Ca 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.55 1snl n GLU 7 Cb 0.67 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 32.01 1snl n GLU 7 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1snl s LEU 8 N 0.00 -0.77 -1.23 -4.62 0.05 -1.26 -5.08 118.68 105.78 1snl s LEU 8 Ca 0.00 1.42 -0.13 0.00 0.05 0.00 0.00 54.13 55.48 1snl s LEU 8 Cb 0.00 2.30 0.17 0.00 -2.05 0.00 0.00 46.19 46.61 1snl s LEU 8 CO 0.00 -0.24 1.54 0.47 -0.55 0.00 0.00 176.35 177.57 1snl n ASP 9 N 3.73 5.19 0.00 1.48 8.00 -1.26 -4.12 116.55 129.57 1snl n ASP 9 Ca -0.18 -3.00 0.00 0.00 0.71 0.00 0.00 54.79 52.31 1snl n ASP 9 Cb 0.57 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 1snl n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1snl n GLY 10 N 3.84 0.00 2.44 0.44 0.00 -1.26 -5.00 105.19 105.64 1snl n GLY 10 Ca 0.38 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.32 -0.67 -4.79 0.99 4.77 -1.26 -5.13 117.00 110.59 1snl n LEU 11 Ca 0.00 -4.39 -0.35 0.00 -0.03 0.00 0.00 56.01 51.24 1snl n LEU 11 Cb 0.00 0.82 -0.04 0.00 -2.33 0.00 0.00 43.42 41.87 1snl n LEU 11 CO 0.00 2.19 0.72 1.51 -1.33 0.00 0.00 177.39 180.48 1snl s ASP 12 N -1.87 6.43 0.28 -1.43 1.47 -1.26 -4.94 116.67 115.35 1snl s ASP 12 Ca 0.32 1.97 -0.02 0.00 1.18 0.00 0.00 52.55 55.99 1snl s ASP 12 Cb 0.32 -2.57 0.39 0.00 -0.34 0.00 0.00 42.92 40.72 1snl s ASP 12 CO -0.07 -0.72 1.86 1.55 0.68 0.00 0.00 175.17 178.47 1snl h PRO 13 N 1.79 0.94 0.00 2.11 0.13 -1.99 -3.46 132.00 131.53 1snl h PRO 13 Ca -0.49 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1snl h PRO 13 Cb 1.22 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1snl h PRO 13 CO 0.60 0.76 0.00 -1.71 -0.23 0.00 0.00 178.00 177.42 1snl n ASN 14 N -4.31 0.00 -0.75 1.44 5.15 -1.26 -5.13 115.26 110.40 1snl n ASN 14 Ca 0.06 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.08 1snl n ASN 14 Cb 0.17 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.40 1snl n ASN 14 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1snl n ARG 15 N 0.00 -0.63 -1.20 1.20 1.74 -1.26 -4.66 116.66 111.85 1snl n ARG 15 Ca 0.00 0.41 -0.33 0.00 -0.77 0.00 0.00 57.85 57.16 1snl n ARG 15 Cb 0.00 -0.77 0.11 0.00 -1.02 0.00 0.00 32.46 30.79 1snl n ARG 15 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1snl s PHE 16 N -0.59 1.99 -0.48 -1.55 0.40 -1.26 -5.00 117.98 111.50 1snl s PHE 16 Ca 0.00 1.65 0.06 0.00 -0.60 0.00 0.00 56.93 58.05 1snl s PHE 16 Cb 0.00 -3.38 0.27 0.00 0.51 0.00 0.00 43.02 40.42 1snl s PHE 16 CO 0.00 -2.56 0.97 0.27 0.70 0.00 0.00 175.22 174.60 1snl n ASN 17 N -3.26 -2.67 0.22 1.36 2.04 -1.26 -4.97 115.26 106.72 1snl n ASN 17 Ca 0.12 -3.45 0.16 0.00 -0.44 0.00 0.00 54.58 50.97 1snl n ASN 17 Cb 0.51 1.84 0.74 0.00 -2.53 0.00 0.00 39.78 40.35 1snl n ASN 17 CO 0.00 0.00 0.00 1.55 -0.44 0.00 0.00 177.26 178.37 1snl h PRO 18 N 3.64 0.00 -0.77 -0.53 0.13 -2.00 -2.93 132.00 129.54 1snl h PRO 18 Ca -0.13 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.07 1snl h PRO 18 Cb 1.05 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 1snl h PRO 18 CO 0.26 0.00 0.50 -0.22 -0.23 0.00 0.00 178.00 178.31 1snl h LYS 19 N 0.00 0.79 -0.40 0.86 3.64 -2.01 -2.04 116.57 117.41 1snl h LYS 19 Ca 0.00 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 1snl h LYS 19 Cb 0.21 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1snl h LYS 19 CO 0.00 0.53 -0.33 1.15 -2.27 0.00 0.00 179.45 178.53 1snl h THR 20 N 0.82 1.27 -0.97 1.00 2.02 -1.96 -2.88 112.91 112.21 1snl h THR 20 Ca 0.33 -1.49 0.08 0.00 0.77 0.00 0.00 66.41 66.09 1snl h THR 20 Cb 0.25 1.30 -0.07 0.00 -1.74 0.00 0.00 68.15 67.90 1snl h THR 20 CO -0.11 0.50 0.61 0.15 0.37 0.00 0.00 175.52 177.04 1snl h PHE 21 N 0.76 1.13 -0.47 3.16 3.04 -1.55 -0.86 116.94 122.16 1snl h PHE 21 Ca 0.08 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.00 1snl h PHE 21 Cb 0.90 -0.37 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 1snl h PHE 21 CO 0.06 0.56 0.07 0.35 -2.02 0.00 0.00 178.31 177.32 1snl h PHE 22 N 1.09 0.76 0.27 0.41 3.04 -1.30 -2.33 116.94 118.87 1snl h PHE 22 Ca 0.43 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.29 1snl h PHE 22 Cb 0.23 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.52 1snl h PHE 22 CO -0.01 0.68 -0.13 0.82 -2.02 0.00 0.00 178.31 177.65 1snl h ILE 23 N 0.70 0.00 -1.34 1.41 2.04 -1.05 -2.41 117.51 116.86 1snl h ILE 23 Ca 0.15 -0.61 0.39 0.00 1.00 0.00 0.00 64.86 65.79 1snl h ILE 23 Cb 0.34 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.36 1snl h ILE 23 CO 0.01 0.00 0.95 0.25 0.00 0.00 0.00 178.15 179.36 1snl h LEU 24 N -0.96 0.05 0.00 1.44 5.85 -1.26 1.56 115.31 121.99 1snl h LEU 24 Ca -0.04 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1snl h LEU 24 Cb 0.27 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1snl h LEU 24 CO 0.06 -0.00 -0.35 1.41 -0.34 0.00 0.00 178.44 179.22 1snl n HIS 25 N -4.19 0.71 -2.30 1.25 8.25 -0.88 -4.63 115.22 113.43 1snl n HIS 25 Ca 0.30 0.21 -0.36 0.00 -0.26 0.00 0.00 57.72 57.60 1snl n HIS 25 Cb 1.38 -0.77 -0.04 0.00 1.12 0.00 0.00 29.99 31.68 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 -4.33 5.77 -0.10 0.41 1.01 0.53 -4.81 116.67 115.15 1snl s ASP 26 Ca 0.08 -0.64 -0.25 0.00 0.71 0.00 0.00 52.55 52.46 1snl s ASP 26 Cb 0.13 -2.56 -0.21 0.00 1.01 0.00 0.00 42.92 41.30 1snl s ASP 26 CO 0.67 -2.13 0.83 0.40 0.21 0.00 0.00 175.17 175.14 1snl h ILE 27 N 6.80 1.40 -0.23 0.77 2.04 -1.82 -3.28 117.51 123.19 1snl h ILE 27 Ca -0.03 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.06 1snl h ILE 27 Cb 1.05 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 1snl h ILE 27 CO 1.29 0.43 0.00 -3.20 0.00 0.00 0.00 178.15 176.67 1snl n ASN 28 N -4.73 1.45 -4.17 1.72 4.05 -1.26 -4.91 115.26 107.41 1snl n ASN 28 Ca -0.08 -1.87 -0.29 0.00 0.45 0.00 0.00 54.58 52.78 1snl n ASN 28 Cb 0.35 -0.15 -0.06 0.00 1.23 0.00 0.00 39.78 41.15 1snl n ASN 28 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1snl n SER 29 N 0.25 0.01 -0.58 1.20 3.41 -1.24 -4.79 113.62 111.88 1snl n SER 29 Ca 0.12 -1.14 0.14 0.00 -0.26 0.00 0.00 58.87 57.72 1snl n SER 29 Cb 0.25 -2.30 0.44 0.00 -0.26 0.00 0.00 64.21 62.34 1snl n SER 29 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1snl n ASP 30 N -2.90 1.80 0.00 4.04 5.75 -1.26 -4.90 116.55 119.08 1snl n ASP 30 Ca -0.27 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 1snl n ASP 30 Cb 0.67 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 1snl n ASP 30 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1snl n GLY 31 N 1.21 1.50 3.16 6.12 0.00 -1.26 -4.98 105.19 110.94 1snl n GLY 31 Ca 0.18 0.00 -0.10 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 -3.63 0.28 -0.31 1.61 -7.23 -1.26 -3.61 120.40 106.26 1snl s VAL 32 Ca 0.00 -1.91 -0.02 0.00 -1.81 0.00 0.00 61.98 58.23 1snl s VAL 32 Cb 0.00 -1.97 0.05 0.00 0.56 0.00 0.00 36.38 35.01 1snl s VAL 32 CO 0.00 -0.56 0.01 -0.22 -0.31 0.00 0.00 175.10 174.02 1snl s LEU 33 N -3.06 3.95 0.00 1.32 2.96 0.33 -4.94 118.68 119.23 1snl s LEU 33 Ca 0.21 -1.24 -0.03 0.00 -0.22 0.00 0.00 54.13 52.84 1snl s LEU 33 Cb 0.07 -1.74 0.11 0.00 0.50 0.00 0.00 46.19 45.13 1snl s LEU 33 CO 0.00 -0.27 0.69 0.47 -1.32 0.00 0.00 176.35 175.92 1snl n ASP 34 N 4.65 0.61 -0.03 3.68 8.00 -1.26 -2.10 116.55 130.10 1snl n ASP 34 Ca -0.13 -1.59 -0.16 0.00 0.71 0.00 0.00 54.79 53.62 1snl n ASP 34 Cb 0.44 -0.47 -0.09 0.00 -0.02 0.00 0.00 41.12 40.97 1snl n ASP 34 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1snl h GLU 35 N 0.00 0.44 -0.04 -1.24 4.81 -1.99 -1.31 114.58 115.26 1snl h GLU 35 Ca -0.23 -0.36 0.01 0.00 -0.13 0.00 0.00 59.36 58.65 1snl h GLU 35 Cb 0.76 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 1snl h GLU 35 CO 0.21 1.00 0.04 -0.56 -0.73 0.00 0.00 179.01 178.97 1snl h GLN 36 N 0.00 0.00 0.07 1.92 -0.00 -1.95 0.54 115.11 115.69 1snl h GLN 36 Ca -0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.33 1snl h GLN 36 Cb 1.08 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.54 1snl h GLN 36 CO 0.09 0.00 -1.49 0.93 -0.00 0.00 0.00 178.83 178.36 1snl h GLU 37 N 0.00 0.15 -0.02 0.06 5.08 -1.91 -3.04 114.58 114.91 1snl h GLU 37 Ca 0.02 -0.26 -0.17 0.00 -1.00 0.00 0.00 59.36 57.94 1snl h GLU 37 Cb 0.10 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1snl h GLU 37 CO -0.00 0.97 -0.77 1.25 -1.00 0.00 0.00 179.01 179.45 1snl h LEU 38 N 0.04 0.21 -0.10 1.33 5.85 0.20 -1.94 115.31 120.89 1snl h LEU 38 Ca -0.22 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.28 1snl h LEU 38 Cb 1.97 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.94 1snl h LEU 38 CO 0.14 0.90 -0.19 -0.08 -0.34 0.00 0.00 178.44 178.87 1snl h GLU 39 N 0.11 0.31 -0.19 1.25 4.22 -0.10 -2.45 114.58 117.73 1snl h GLU 39 Ca -0.03 -0.20 -0.15 0.00 0.08 0.00 0.00 59.36 59.07 1snl h GLU 39 Cb 1.35 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1snl h GLU 39 CO 0.12 0.78 -0.49 0.00 -2.18 0.00 0.00 179.01 177.24 1snl h ALA 40 N 0.52 0.79 0.00 2.92 0.00 -1.57 -2.29 119.26 119.63 1snl h ALA 40 Ca 0.01 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1snl h ALA 40 Cb 0.77 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1snl h ALA 40 CO 0.04 0.67 -0.27 -0.07 0.00 0.00 0.00 179.25 179.63 1snl h LEU 41 N 0.40 0.00 0.00 0.00 3.38 -1.38 -0.86 115.31 116.85 1snl h LEU 41 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1snl h LEU 41 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1snl h LEU 41 CO 0.09 0.27 -0.18 0.15 0.09 0.00 0.00 178.44 178.86 1snl h PHE 42 N 0.00 0.00 -0.12 1.13 3.57 -1.20 -2.78 116.94 117.54 1snl h PHE 42 Ca -0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1snl h PHE 42 Cb 0.67 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1snl h PHE 42 CO 0.00 0.88 -0.10 1.15 -2.23 0.00 0.00 178.31 178.01 1snl h THR 43 N -1.00 1.34 -0.02 4.41 2.02 -1.45 -2.99 112.91 115.22 1snl h THR 43 Ca -0.05 -1.23 -0.06 0.00 0.77 0.00 0.00 66.41 65.85 1snl h THR 43 Cb 0.87 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1snl h THR 43 CO -0.03 0.35 -0.23 0.50 0.37 0.00 0.00 175.52 176.49 1snl h LYS 44 N -0.10 0.19 -0.26 6.66 3.64 -1.34 -3.17 116.57 122.19 1snl h LYS 44 Ca 0.02 -0.18 0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1snl h LYS 44 Cb 0.61 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1snl h LYS 44 CO 0.03 0.87 0.20 1.49 -2.27 0.00 0.00 179.45 179.76 1snl h GLU 45 N -0.43 0.00 0.00 1.90 4.81 -1.59 0.15 114.58 119.42 1snl h GLU 45 Ca -0.02 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1snl h GLU 45 Cb 0.93 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1snl h GLU 45 CO 0.05 0.00 -0.24 1.25 -0.73 0.00 0.00 179.01 179.33 1snl h LEU 46 N 0.00 0.00 0.00 1.64 5.85 -1.52 -2.74 115.31 118.54 1snl h LEU 46 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1snl h LEU 46 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1snl h LEU 46 CO -0.00 0.24 0.05 -0.62 -0.34 0.00 0.00 178.44 177.77 1snl n GLU 47 N -3.40 0.00 -1.45 1.25 -0.58 0.53 -1.17 120.64 115.82 1snl n GLU 47 Ca 0.00 0.23 -0.25 0.00 -0.42 0.00 0.00 57.16 56.72 1snl n GLU 47 Cb 0.45 -1.55 0.09 0.00 -0.57 0.00 0.00 31.44 29.86 1snl n GLU 47 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1snl n LYS 48 N -1.19 2.79 0.20 3.49 5.02 -1.03 -4.18 118.16 123.26 1snl n LYS 48 Ca 0.00 -3.53 0.00 0.00 -2.02 0.00 0.00 58.31 52.76 1snl n LYS 48 Cb 0.05 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 32.86 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 -0.91 0.00 0.22 -0.18 0.31 -0.32 -4.90 118.33 112.54 1snl n VAL 49 Ca 0.51 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.96 1snl n VAL 49 Cb 0.92 -0.22 0.18 0.00 -0.91 0.00 0.00 33.84 33.80 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 -6.10 3.52 0.05 -1.83 -3.48 116.97 109.12 1snl h TYR 50 Ca 0.00 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.52 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 0.03 -0.73 -0.25 -1.05 0.00 0.00 178.16 176.16 1snl n ASP 51 N -3.11 -6.28 -3.91 3.88 9.92 -1.26 -4.91 116.55 110.88 1snl n ASP 51 Ca 0.04 -0.31 -0.29 0.00 -0.53 0.00 0.00 54.79 53.69 1snl n ASP 51 Cb 0.54 -3.25 0.28 0.00 -0.64 0.00 0.00 41.12 38.05 1snl n ASP 51 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 1snl s PRO 52 N -3.52 -2.18 0.00 -0.24 0.02 -1.26 -5.02 135.00 122.79 1snl s PRO 52 Ca 0.12 0.46 0.00 0.00 0.02 0.00 0.00 61.00 61.60 1snl s PRO 52 Cb -0.02 -1.44 0.00 0.00 0.02 0.00 0.00 34.50 33.06 1snl s PRO 52 CO 0.83 -4.46 0.00 0.36 -0.33 0.00 0.00 177.00 173.40 1snl n LYS 53 N -5.39 0.00 -3.05 5.54 0.00 -1.26 -5.12 118.16 108.88 1snl n LYS 53 Ca 0.08 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.40 1snl n LYS 53 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.60 1snl n LYS 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1snl s ASN 54 N 1.52 -1.10 0.28 -5.58 6.03 -1.26 -5.15 114.94 109.68 1snl s ASN 54 Ca 0.00 -0.52 0.03 0.00 -1.03 0.00 0.00 52.86 51.34 1snl s ASN 54 Cb 0.00 1.42 -0.01 0.00 -3.03 0.00 0.00 41.25 39.63 1snl s ASN 54 CO 0.00 -0.13 0.30 -1.84 -2.03 0.00 0.00 177.10 173.40 1snl n GLU 55 N 4.21 0.43 0.06 3.55 0.28 -1.26 -5.03 120.64 122.88 1snl n GLU 55 Ca 0.09 -2.53 0.13 0.00 -0.16 0.00 0.00 57.16 54.69 1snl n GLU 55 Cb 0.59 2.21 0.43 0.00 1.43 0.00 0.00 31.44 36.10 1snl n GLU 55 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1snl n GLU 56 N -0.50 0.18 -1.69 3.44 1.02 -1.26 -3.65 120.64 118.18 1snl n GLU 56 Ca 0.04 0.13 -0.36 0.00 -0.02 0.00 0.00 57.16 56.95 1snl n GLU 56 Cb 0.48 -1.69 0.05 0.00 -0.02 0.00 0.00 31.44 30.27 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 -1.99 7.28 -4.51 1.62 8.00 -1.26 -4.97 116.55 120.72 1snl n ASP 57 Ca 0.06 -3.80 -0.21 0.00 0.71 0.00 0.00 54.79 51.54 1snl n ASP 57 Cb 0.40 -0.94 -0.21 0.00 -0.02 0.00 0.00 41.12 40.35 1snl n ASP 57 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1snl n ASP 58 N -0.72 -0.98 -3.72 -2.24 8.00 -1.24 -0.64 116.55 115.01 1snl n ASP 58 Ca 0.57 -0.66 -0.22 0.00 0.71 0.00 0.00 54.79 55.18 1snl n ASP 58 Cb 0.50 -0.70 0.03 0.00 -0.02 0.00 0.00 41.12 40.93 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 6.03 -4.61 0.06 -1.24 2.81 -1.26 -4.89 117.12 114.02 1snl n MET 59 Ca 0.65 0.60 0.00 0.00 -1.81 0.00 0.00 57.70 57.14 1snl n MET 59 Cb 0.18 -5.09 0.00 0.00 -0.71 0.00 0.00 33.22 27.60 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 -4.27 0.00 0.22 0.03 0.63 0.18 -4.39 116.66 109.06 1snl n ARG 60 Ca -0.30 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.65 1snl n ARG 60 Cb 0.68 -0.44 0.06 0.00 0.45 0.00 0.00 32.46 33.21 1snl n ARG 60 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1snl h GLU 61 N 0.00 0.00 -0.05 -0.14 4.81 -1.91 2.25 114.58 119.54 1snl h GLU 61 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1snl h GLU 61 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1snl h GLU 61 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 1snl n MET 62 N -2.02 0.76 0.26 1.92 0.00 -1.26 -4.68 117.12 112.09 1snl n MET 62 Ca -0.00 -1.09 0.02 0.00 0.00 0.00 0.00 57.70 56.63 1snl n MET 62 Cb 0.77 -1.09 0.13 0.00 0.00 0.00 0.00 33.22 33.03 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 0.85 0.00 0.63 3.17 4.81 0.36 0.13 114.58 124.53 1snl h GLU 63 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1snl h GLU 63 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1snl h GLU 63 CO 0.00 0.00 -0.34 0.93 -0.73 0.00 0.00 179.01 178.87 1snl h GLU 64 N 0.00 -0.86 -0.87 1.92 5.08 -1.84 -2.21 114.58 115.80 1snl h GLU 64 Ca 0.00 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1snl h GLU 64 Cb 1.53 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.92 1snl h GLU 64 CO 0.00 -0.57 0.57 1.49 -1.00 0.00 0.00 179.01 179.50 1snl h GLU 65 N -0.89 1.02 -0.20 2.33 4.57 -1.13 0.26 114.58 120.54 1snl h GLU 65 Ca -0.08 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1snl h GLU 65 Cb 0.70 -0.23 -0.06 0.00 -0.16 0.00 0.00 28.75 29.01 1snl h GLU 65 CO 0.12 0.67 -0.16 -0.09 -1.18 0.00 0.00 179.01 178.37 1snl h ARG 66 N 1.05 -0.16 0.00 1.92 9.65 -1.48 -1.49 114.38 123.88 1snl h ARG 66 Ca 0.36 0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 59.10 1snl h ARG 66 Cb 0.09 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 1snl h ARG 66 CO -0.12 -0.11 -0.72 1.37 2.80 0.00 0.00 179.97 183.19 1snl h LEU 67 N -0.17 0.00 -0.95 3.80 8.10 -0.93 -2.63 115.31 122.54 1snl h LEU 67 Ca 0.12 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.08 1snl h LEU 67 Cb 0.35 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.53 1snl h LEU 67 CO -0.30 0.72 0.41 -0.09 -4.11 0.00 0.00 178.44 175.07 1snl h ARG 68 N 0.00 1.16 0.05 0.17 1.12 0.16 -1.21 114.38 115.84 1snl h ARG 68 Ca -0.01 -0.16 -0.29 0.00 -1.11 0.00 0.00 59.98 58.42 1snl h ARG 68 Cb 1.54 -0.22 -0.03 0.00 -0.01 0.00 0.00 29.97 31.26 1snl h ARG 68 CO 0.09 0.88 -1.54 1.98 -3.11 0.00 0.00 179.97 178.28 1snl h MET 69 N 1.15 0.12 -0.02 0.20 4.05 -1.35 -3.07 114.93 116.00 1snl h MET 69 Ca 0.28 -0.20 -0.05 0.00 -0.28 0.00 0.00 59.70 59.45 1snl h MET 69 Cb 0.09 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 1snl h MET 69 CO -0.04 0.88 -0.24 -0.09 0.23 0.00 0.00 176.91 177.65 1snl h ARG 70 N 0.03 0.04 0.02 0.39 2.43 -1.30 -2.01 114.38 113.98 1snl h ARG 70 Ca -0.23 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.87 1snl h ARG 70 Cb 1.97 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.52 1snl h ARG 70 CO 0.12 0.28 -0.23 0.93 -1.51 0.00 0.00 179.97 179.56 1snl h GLU 71 N 0.04 0.12 -0.54 0.20 5.08 -1.31 -2.37 114.58 115.80 1snl h GLU 71 Ca 0.00 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1snl h GLU 71 Cb 0.45 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1snl h GLU 71 CO 0.03 0.98 0.36 1.25 -1.00 0.00 0.00 179.01 180.63 1snl h HIS 72 N -0.68 0.65 0.12 4.33 2.76 -1.43 0.12 115.15 121.02 1snl h HIS 72 Ca -0.03 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1snl h HIS 72 Cb 1.08 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.82 1snl h HIS 72 CO 0.22 0.40 -0.06 0.28 -1.30 0.00 0.00 177.93 177.47 1snl h VAL 73 N 0.69 0.92 -0.03 5.26 2.07 -1.44 0.19 116.25 123.92 1snl h VAL 73 Ca 0.20 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.44 1snl h VAL 73 Cb -0.03 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1snl h VAL 73 CO -0.05 0.26 0.07 0.24 0.02 0.00 0.00 177.57 178.11 1snl h MET 74 N -0.88 0.00 0.00 1.57 2.07 -1.25 0.56 114.93 116.99 1snl h MET 74 Ca -0.02 0.00 -0.25 0.00 -2.07 0.00 0.00 59.70 57.36 1snl h MET 74 Cb 0.54 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 30.23 1snl h MET 74 CO 0.03 0.00 -1.87 1.17 1.07 0.00 0.00 176.91 177.31 1snl n LYS 75 N -3.40 0.65 -0.00 1.72 4.81 0.41 -3.81 118.16 118.55 1snl n LYS 75 Ca -0.02 0.12 0.07 0.00 -0.87 0.00 0.00 58.31 57.61 1snl n LYS 75 Cb 0.15 -1.68 -0.09 0.00 0.02 0.00 0.00 35.03 33.42 1snl n LYS 75 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1snl n ASN 76 N -2.82 0.87 -0.01 3.14 5.03 0.67 -4.73 115.26 117.41 1snl n ASN 76 Ca -0.19 -0.67 -0.01 0.00 0.87 0.00 0.00 54.58 54.58 1snl n ASN 76 Cb 0.97 1.15 -0.01 0.00 -1.02 0.00 0.00 39.78 40.87 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 -1.49 0.13 -1.91 2.41 0.31 0.19 -4.84 118.33 113.13 1snl n VAL 77 Ca 0.02 -0.07 -0.37 0.00 -0.01 0.00 0.00 64.34 63.91 1snl n VAL 77 Cb 0.27 -0.77 -0.03 0.00 -0.91 0.00 0.00 33.84 32.39 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 -3.72 5.02 -0.14 4.52 1.11 -1.21 -4.75 116.67 117.51 1snl s ASP 78 Ca -0.02 0.49 -0.22 0.00 0.18 0.00 0.00 52.55 52.97 1snl s ASP 78 Cb 0.01 -2.52 -0.20 0.00 1.07 0.00 0.00 42.92 41.28 1snl s ASP 78 CO 0.07 -2.55 0.56 0.71 1.18 0.00 0.00 175.17 175.14 1snl h THR 79 N 7.12 1.34 -0.74 -1.27 1.35 -1.90 -3.35 112.91 115.47 1snl h THR 79 Ca -0.24 -2.04 -0.21 0.00 -0.55 0.00 0.00 66.41 63.38 1snl h THR 79 Cb 1.18 2.56 -0.12 0.00 -1.73 0.00 0.00 68.15 70.04 1snl h THR 79 CO 1.20 0.45 0.27 -3.20 -0.25 0.00 0.00 175.52 173.99 1snl n ASN 80 N -4.63 4.90 -1.88 5.36 4.05 -1.26 -4.91 115.26 116.88 1snl n ASN 80 Ca -0.09 -3.19 -0.01 0.00 0.45 0.00 0.00 54.58 51.73 1snl n ASN 80 Cb 0.39 -0.75 -0.00 0.00 1.23 0.00 0.00 39.78 40.65 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 -0.09 -2.22 -0.02 1.20 1.13 -1.26 -4.61 117.38 111.51 1snl n GLN 81 Ca 0.40 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.47 1snl n GLN 81 Cb 1.38 -2.92 0.02 0.00 0.11 0.00 0.00 30.24 28.83 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 -0.99 0.27 0.00 1.08 8.00 -1.26 -4.78 116.55 118.87 1snl n ASP 82 Ca 0.00 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1snl n ASP 82 Cb 0.32 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 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 -0.36 0.00 -5.15 -1.24 1.74 -1.26 -4.90 116.66 105.49 1snl n ARG 83 Ca 0.01 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.77 1snl n ARG 83 Cb 0.05 -3.73 -0.16 0.00 -1.02 0.00 0.00 32.46 27.60 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 2.24 -0.14 0.55 1.02 -1.26 -3.99 118.68 117.09 1snl s LEU 84 Ca 0.00 -0.45 -0.02 0.00 0.02 0.00 0.00 54.13 53.68 1snl s LEU 84 Cb 0.00 -1.43 -0.02 0.00 0.02 0.00 0.00 46.19 44.76 1snl s LEU 84 CO 0.00 0.24 -0.09 -0.69 0.02 0.00 0.00 176.35 175.82 1snl s VAL 85 N -0.10 3.35 0.37 -1.59 1.01 -0.89 -4.85 120.40 117.70 1snl s VAL 85 Ca -0.05 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.45 1snl s VAL 85 Cb -0.14 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1snl s VAL 85 CO 0.04 0.51 0.42 0.42 0.00 0.00 0.00 175.10 176.49 1snl s THR 86 N 0.42 3.38 0.29 3.92 -4.23 -1.26 -0.52 115.64 117.64 1snl s THR 86 Ca -0.08 -1.18 0.02 0.00 -1.18 0.00 0.00 61.69 59.26 1snl s THR 86 Cb -0.15 -3.17 0.12 0.00 1.34 0.00 0.00 72.50 70.64 1snl s THR 86 CO 0.04 -0.10 1.80 0.25 -0.54 0.00 0.00 174.62 176.07 1snl h LEU 87 N 0.98 0.59 0.00 4.79 7.12 -1.97 -2.61 115.31 124.21 1snl h LEU 87 Ca -0.43 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.44 1snl h LEU 87 Cb 1.26 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 1snl h LEU 87 CO 0.54 0.70 0.00 -0.62 -0.13 0.00 0.00 178.44 178.93 1snl n GLU 88 N -4.22 0.00 0.07 1.25 1.02 -1.26 -2.50 120.64 114.99 1snl n GLU 88 Ca 0.01 0.50 0.07 0.00 -0.02 0.00 0.00 57.16 57.72 1snl n GLU 88 Cb 0.30 -1.45 0.51 0.00 -0.02 0.00 0.00 31.44 30.77 1snl n GLU 88 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1snl h GLU 89 N 0.00 0.34 0.03 3.49 5.08 -1.99 -2.66 114.58 118.87 1snl h GLU 89 Ca 0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1snl h GLU 89 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1snl h GLU 89 CO 0.00 0.23 -0.06 0.35 -1.00 0.00 0.00 179.01 178.53 1snl h PHE 90 N 0.35 -0.15 -0.43 4.33 3.57 -1.48 -2.58 116.94 120.55 1snl h PHE 90 Ca 0.12 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.71 1snl h PHE 90 Cb 0.07 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 1snl h PHE 90 CO -0.00 -0.09 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.90 1snl h LEU 91 N -0.12 -0.21 -0.85 0.59 3.38 -1.16 -0.97 115.31 115.97 1snl h LEU 91 Ca 0.01 0.10 0.21 0.00 0.09 0.00 0.00 57.88 58.30 1snl h LEU 91 Cb 0.13 0.19 -0.13 0.00 0.09 0.00 0.00 40.66 40.94 1snl h LEU 91 CO -0.04 -0.07 0.23 0.00 0.09 0.00 0.00 178.44 178.65 1snl h ALA 92 N 1.39 1.20 -0.06 1.53 0.00 -1.40 1.63 119.26 123.55 1snl h ALA 92 Ca 0.21 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 1snl h ALA 92 Cb 0.31 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1snl h ALA 92 CO -0.37 -0.42 -0.09 0.77 0.00 0.00 0.00 179.25 179.15 1snl h SER 93 N 0.24 0.07 0.00 0.00 0.02 -0.97 -3.29 113.55 109.62 1snl h SER 93 Ca 0.52 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.37 1snl h SER 93 Cb 1.00 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 1snl h SER 93 CO -0.61 0.18 -1.10 0.35 -1.14 0.00 0.00 176.83 174.51 1snl n THR 94 N -4.39 1.48 -1.65 -2.27 -2.24 0.21 -4.87 114.28 100.55 1snl n THR 94 Ca -0.02 0.07 -0.53 0.00 -2.27 0.00 0.00 64.05 61.30 1snl n THR 94 Cb 0.19 -2.27 -0.06 0.00 -2.10 0.00 0.00 70.33 66.09 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 -4.48 1.49 -2.69 -0.78 6.02 0.50 -4.73 117.38 112.72 1snl n GLN 95 Ca -0.19 0.53 -0.05 0.00 -0.01 0.00 0.00 57.00 57.27 1snl n GLN 95 Cb 0.51 -2.36 0.08 0.00 1.02 0.00 0.00 30.24 29.49 1snl n GLN 95 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1snl n ARG 96 N 6.37 0.59 -3.94 -1.09 0.00 -1.26 -4.71 116.66 112.62 1snl n ARG 96 Ca 0.28 -1.24 -0.31 0.00 -0.00 0.00 0.00 57.85 56.58 1snl n ARG 96 Cb 0.20 -0.31 0.02 0.00 0.00 0.00 0.00 32.46 32.38 1snl n ARG 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1snl n LYS 97 N -0.03 -5.27 -3.50 -0.14 5.02 -1.26 -1.89 118.16 111.09 1snl n LYS 97 Ca -0.08 0.57 -0.25 0.00 -2.02 0.00 0.00 58.31 56.54 1snl n LYS 97 Cb 0.74 -5.43 0.06 0.00 -0.02 0.00 0.00 35.03 30.37 1snl n LYS 97 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1snl n GLU 98 N -4.65 -1.66 -0.29 1.97 2.13 -1.26 -5.30 120.64 111.58 1snl n GLU 98 Ca 0.03 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1snl n GLU 98 Cb 0.53 -4.85 0.00 0.00 0.27 0.00 0.00 31.44 27.39 1snl n GLU 98 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06