#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 1.42 -0.30 1.47 1.02 -1.26 -5.15 119.74 116.95 1snl s LYS 2 Ca 0.00 -1.59 -0.07 0.00 0.02 0.00 0.00 55.97 54.32 1snl s LYS 2 Cb 0.00 0.35 0.18 0.00 -0.52 0.00 0.00 37.83 37.84 1snl s LYS 2 CO 0.00 -0.53 0.89 -2.00 -0.92 0.00 0.00 175.35 172.80 1snl s GLU 3 N -3.93 0.31 0.00 1.68 2.56 -1.26 -5.10 118.70 112.96 1snl s GLU 3 Ca 0.34 0.45 0.00 0.00 0.00 0.00 0.00 54.97 55.76 1snl s GLU 3 Cb 0.04 0.24 0.00 0.00 2.00 0.00 0.00 34.13 36.41 1snl s GLU 3 CO 0.14 -0.42 0.24 0.28 -0.56 0.00 0.00 175.26 174.94 1snl n VAL 4 N 5.37 0.00 0.00 3.70 0.31 -1.26 -5.05 118.33 121.41 1snl n VAL 4 Ca -0.00 0.54 0.00 0.00 -0.01 0.00 0.00 64.34 64.87 1snl n VAL 4 Cb 0.54 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 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 -0.40 -0.00 -0.01 3.52 -0.00 -1.26 -4.98 117.44 114.30 1snl n TRP 5 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.37 1snl n TRP 5 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.21 1snl n TRP 5 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1snl h GLU 6 N 0.00 0.00 -5.89 5.87 4.39 -2.07 -3.48 114.58 113.42 1snl h GLU 6 Ca 0.00 -0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 1snl h GLU 6 Cb 0.00 -0.00 0.08 0.00 -0.10 0.00 0.00 28.75 28.73 1snl h GLU 6 CO 0.00 0.46 -0.70 -1.91 -1.16 0.00 0.00 179.01 175.70 1snl n GLU 7 N -4.87 -1.52 -1.53 2.33 2.13 -1.26 -4.79 120.64 111.13 1snl n GLU 7 Ca -0.08 0.85 -0.51 0.00 0.66 0.00 0.00 57.16 58.08 1snl n GLU 7 Cb 0.24 -4.73 -0.05 0.00 0.27 0.00 0.00 31.44 27.17 1snl n GLU 7 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1snl n LEU 8 N -3.17 0.71 -2.77 4.31 4.77 -1.26 -4.89 117.00 114.70 1snl n LEU 8 Ca -0.09 1.14 -0.22 0.00 -0.03 0.00 0.00 56.01 56.82 1snl n LEU 8 Cb 0.59 -1.11 -0.01 0.00 -2.33 0.00 0.00 43.42 40.56 1snl n LEU 8 CO 0.61 -1.74 0.04 -0.90 -1.33 0.00 0.00 177.39 174.08 1snl n ASP 9 N 1.89 3.28 -1.37 -1.43 5.75 -1.26 -4.92 116.55 118.49 1snl n ASP 9 Ca 0.16 -3.37 0.00 0.00 -0.01 0.00 0.00 54.79 51.57 1snl n ASP 9 Cb 0.21 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 1snl n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1snl n GLY 10 N -0.19 -0.07 1.81 6.12 0.00 -1.26 -4.85 105.19 106.75 1snl n GLY 10 Ca 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.97 -3.25 -3.24 0.99 4.32 -1.26 -4.96 117.00 108.63 1snl n LEU 11 Ca 0.00 2.25 -0.25 0.00 -0.02 0.00 0.00 56.01 57.99 1snl n LEU 11 Cb 0.46 -2.41 -0.07 0.00 -1.62 0.00 0.00 43.42 39.78 1snl n LEU 11 CO 0.00 -1.04 -0.22 -0.67 -1.22 0.00 0.00 177.39 174.24 1snl n ASP 12 N 1.55 0.91 -0.17 -1.43 2.03 -1.26 -4.94 116.55 113.24 1snl n ASP 12 Ca 0.00 -2.85 -0.01 0.00 0.52 0.00 0.00 54.79 52.45 1snl n ASP 12 Cb 0.00 -0.65 0.21 0.00 -0.72 0.00 0.00 41.12 39.97 1snl n ASP 12 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1snl h PRO 13 N 4.04 0.91 -3.80 -0.67 0.11 -1.93 -3.34 132.00 127.33 1snl h PRO 13 Ca 0.10 -0.12 -0.70 0.00 0.11 0.00 0.00 66.00 65.39 1snl h PRO 13 Cb 0.83 -0.17 -0.35 0.00 0.11 0.00 0.00 31.00 31.42 1snl h PRO 13 CO 0.54 0.71 -0.40 -0.80 -0.21 0.00 0.00 178.00 177.83 1snl s ASN 14 N -6.48 5.25 0.48 -2.05 0.02 -1.26 -4.63 114.94 106.27 1snl s ASN 14 Ca -0.10 -2.66 0.14 0.00 -1.02 0.00 0.00 52.86 49.21 1snl s ASN 14 Cb 0.16 -1.85 1.11 0.00 0.02 0.00 0.00 41.25 40.69 1snl s ASN 14 CO 0.79 -0.41 2.09 0.03 0.02 0.00 0.00 177.10 179.62 1snl h ARG 15 N 7.28 0.11 0.00 -0.60 3.08 -2.01 -3.45 114.38 118.79 1snl h ARG 15 Ca -0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1snl h ARG 15 Cb 0.97 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1snl h ARG 15 CO 0.71 0.13 0.00 0.34 -1.07 0.00 0.00 179.97 180.08 1snl n PHE 16 N -4.47 -1.61 -2.73 3.04 7.35 -1.26 -5.08 117.46 112.70 1snl n PHE 16 Ca -0.02 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.63 1snl n PHE 16 Cb 0.13 0.32 0.03 0.00 0.35 0.00 0.00 39.48 40.31 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 -2.13 -2.66 0.17 -2.13 2.85 -1.26 -4.98 115.26 105.12 1snl n ASN 17 Ca 0.00 -2.36 0.12 0.00 -0.11 0.00 0.00 54.58 52.22 1snl n ASN 17 Cb 0.00 1.41 0.62 0.00 1.24 0.00 0.00 39.78 43.05 1snl n ASN 17 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1snl h PRO 18 N 4.46 0.00 -0.83 1.20 0.11 -1.96 -2.75 132.00 132.23 1snl h PRO 18 Ca -0.02 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.18 1snl h PRO 18 Cb 1.12 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 1snl h PRO 18 CO 0.01 0.00 0.49 -0.22 -0.21 0.00 0.00 178.00 178.07 1snl h LYS 19 N 0.00 0.81 -0.40 1.05 3.64 -2.01 -2.45 116.57 117.22 1snl h LYS 19 Ca 0.00 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 1snl h LYS 19 Cb 0.00 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1snl h LYS 19 CO 0.00 0.54 -0.30 1.15 -2.27 0.00 0.00 179.45 178.57 1snl h THR 20 N 0.84 1.28 -0.72 1.00 2.02 -1.93 -2.64 112.91 112.76 1snl h THR 20 Ca 0.39 -1.47 0.14 0.00 0.77 0.00 0.00 66.41 66.25 1snl h THR 20 Cb 0.31 1.33 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 1snl h THR 20 CO -0.23 0.49 0.48 0.15 0.37 0.00 0.00 175.52 176.79 1snl h PHE 21 N 0.73 0.45 -0.19 3.16 3.04 -1.62 0.22 116.94 122.72 1snl h PHE 21 Ca 0.08 0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.91 1snl h PHE 21 Cb 0.89 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 1snl h PHE 21 CO 0.06 0.18 -0.43 0.35 -2.02 0.00 0.00 178.31 176.45 1snl h PHE 22 N 0.39 0.56 0.54 0.41 3.04 -1.22 -2.98 116.94 117.68 1snl h PHE 22 Ca 0.35 -0.17 -0.03 0.00 3.98 0.00 0.00 57.97 62.11 1snl h PHE 22 Cb 0.81 -0.12 0.01 0.00 2.56 0.00 0.00 35.95 39.21 1snl h PHE 22 CO -0.00 0.82 -0.26 0.82 -2.02 0.00 0.00 178.31 177.67 1snl h ILE 23 N 0.38 0.01 -1.19 1.41 2.04 -0.40 -2.37 117.51 117.39 1snl h ILE 23 Ca 0.03 -0.47 0.36 0.00 1.00 0.00 0.00 64.86 65.78 1snl h ILE 23 Cb 0.91 0.02 -0.12 0.00 -0.74 0.00 0.00 36.82 36.89 1snl h ILE 23 CO 0.08 0.00 0.76 0.25 0.00 0.00 0.00 178.15 179.24 1snl h LEU 24 N -1.19 0.34 0.00 1.44 5.85 -1.40 2.02 115.31 122.37 1snl h LEU 24 Ca -0.07 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1snl h LEU 24 Cb 0.56 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1snl h LEU 24 CO 0.12 -0.09 -0.07 1.41 -0.34 0.00 0.00 178.44 179.47 1snl n HIS 25 N -4.71 0.35 -2.56 1.25 8.25 -1.12 -4.54 115.22 112.14 1snl n HIS 25 Ca 0.32 0.10 -0.41 0.00 -0.26 0.00 0.00 57.72 57.48 1snl n HIS 25 Cb 1.19 -0.64 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 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 -3.58 6.47 -0.08 0.41 1.01 0.69 -4.82 116.67 116.76 1snl s ASP 26 Ca 0.12 -1.38 -0.23 0.00 0.71 0.00 0.00 52.55 51.78 1snl s ASP 26 Cb 0.16 -2.57 -0.19 0.00 1.01 0.00 0.00 42.92 41.34 1snl s ASP 26 CO 0.58 -1.54 0.81 0.40 0.21 0.00 0.00 175.17 175.62 1snl h ILE 27 N 6.75 1.21 -0.24 0.77 2.04 -1.80 -3.26 117.51 122.98 1snl h ILE 27 Ca 0.17 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.45 1snl h ILE 27 Cb 1.01 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 1snl h ILE 27 CO 1.42 0.36 0.00 0.59 0.00 0.00 0.00 178.15 180.51 1snl n ASN 28 N -4.78 1.49 -4.10 1.72 5.03 -1.26 -4.91 115.26 108.45 1snl n ASN 28 Ca -0.08 -2.04 -0.32 0.00 0.87 0.00 0.00 54.58 53.01 1snl n ASN 28 Cb 0.31 -0.22 -0.04 0.00 -1.02 0.00 0.00 39.78 38.82 1snl n ASN 28 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1snl n SER 29 N 0.23 -0.90 -0.55 6.41 3.41 -1.23 -4.81 113.62 116.18 1snl n SER 29 Ca 0.08 -1.17 0.13 0.00 -0.26 0.00 0.00 58.87 57.65 1snl n SER 29 Cb 0.25 -2.23 0.26 0.00 -0.26 0.00 0.00 64.21 62.23 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 -2.77 1.90 0.00 4.04 -0.08 -1.26 -4.91 116.55 113.47 1snl n ASP 30 Ca -0.26 -1.49 0.00 0.00 -1.51 0.00 0.00 54.79 51.53 1snl n ASP 30 Cb 0.66 0.14 0.00 0.00 2.34 0.00 0.00 41.12 44.27 1snl n ASP 30 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1snl n GLY 31 N 1.32 1.15 3.23 0.27 0.00 -1.26 -4.96 105.19 104.94 1snl n GLY 31 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.36 0.09 -0.13 1.61 -7.23 -1.26 -4.04 120.40 106.08 1snl s VAL 32 Ca 0.00 -1.64 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 1snl s VAL 32 Cb 0.00 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 35.04 1snl s VAL 32 CO 0.00 -0.42 -0.20 -0.76 -0.31 0.00 0.00 175.10 173.41 1snl s LEU 33 N -3.00 2.01 0.00 1.32 1.02 -0.94 -4.97 118.68 114.12 1snl s LEU 33 Ca 0.20 -0.55 0.04 0.00 0.02 0.00 0.00 54.13 53.83 1snl s LEU 33 Cb 0.06 -1.35 0.04 0.00 0.02 0.00 0.00 46.19 44.96 1snl s LEU 33 CO 0.00 0.07 0.34 -0.90 0.02 0.00 0.00 176.35 175.88 1snl n ASP 34 N 4.05 2.09 0.11 2.29 5.75 -1.26 -2.25 116.55 127.33 1snl n ASP 34 Ca -0.20 -2.28 0.07 0.00 -0.01 0.00 0.00 54.79 52.37 1snl n ASP 34 Cb 0.52 -0.08 0.38 0.00 -1.03 0.00 0.00 41.12 40.91 1snl n ASP 34 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1snl n GLU 35 N -1.49 0.09 0.09 0.11 1.02 -1.24 -1.13 120.64 118.08 1snl n GLU 35 Ca 0.01 0.59 -0.03 0.00 -0.02 0.00 0.00 57.16 57.71 1snl n GLU 35 Cb 0.44 -1.82 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 1snl n GLU 35 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1snl h GLN 36 N 0.00 0.00 0.16 3.49 -0.00 -1.93 -1.95 115.11 114.88 1snl h GLN 36 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.33 1snl h GLN 36 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.52 1snl h GLN 36 CO 0.00 0.72 -1.58 0.93 -0.00 0.00 0.00 178.83 178.90 1snl h GLU 37 N 0.00 0.33 -0.00 0.06 4.39 -1.50 -3.08 114.58 114.78 1snl h GLU 37 Ca -0.03 -0.56 -0.17 0.00 0.34 0.00 0.00 59.36 58.93 1snl h GLU 37 Cb 1.61 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 30.45 1snl h GLU 37 CO 0.10 1.22 -0.80 -0.07 -1.16 0.00 0.00 179.01 178.30 1snl h LEU 38 N 0.09 0.07 -0.39 1.33 3.38 -1.61 -1.39 115.31 116.78 1snl h LEU 38 Ca -0.27 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1snl h LEU 38 Cb 2.06 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.77 1snl h LEU 38 CO 0.18 0.83 0.21 -0.08 0.09 0.00 0.00 178.44 179.68 1snl h GLU 39 N 0.03 0.55 0.00 1.13 4.57 -1.44 -1.39 114.58 118.03 1snl h GLU 39 Ca -0.02 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 57.97 1snl h GLU 39 Cb 1.40 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.87 1snl h GLU 39 CO 0.11 0.45 -0.59 0.00 -1.18 0.00 0.00 179.01 177.81 1snl h ALA 40 N 1.07 0.87 0.00 2.92 0.00 -1.47 -2.95 119.26 119.70 1snl h ALA 40 Ca 0.14 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 1snl h ALA 40 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1snl h ALA 40 CO -0.02 0.73 -0.50 1.25 0.00 0.00 0.00 179.25 180.72 1snl h LEU 41 N 0.00 0.00 0.00 0.00 6.46 -0.77 -2.56 115.31 118.45 1snl h LEU 41 Ca -0.01 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1snl h LEU 41 Cb 1.15 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.07 1snl h LEU 41 CO 0.08 0.50 -0.14 -0.26 -0.62 0.00 0.00 178.44 177.99 1snl h PHE 42 N 0.00 0.01 0.39 1.25 0.04 -1.22 -3.03 116.94 114.39 1snl h PHE 42 Ca -0.00 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1snl h PHE 42 Cb 1.08 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.23 1snl h PHE 42 CO 0.00 1.05 -0.23 1.15 -0.60 0.00 0.00 178.31 179.69 1snl h THR 43 N -0.99 0.53 -0.19 -1.55 2.02 -1.59 -2.81 112.91 108.33 1snl h THR 43 Ca -0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1snl h THR 43 Cb 1.04 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1snl h THR 43 CO -0.02 0.00 0.11 0.07 0.37 0.00 0.00 175.52 176.05 1snl h LYS 44 N -0.58 0.26 -0.30 6.66 2.10 -1.62 -1.69 116.57 121.39 1snl h LYS 44 Ca -0.05 -0.03 0.09 0.00 -2.00 0.00 0.00 60.65 58.66 1snl h LYS 44 Cb 0.47 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 1snl h LYS 44 CO 0.06 0.24 0.31 0.93 -2.00 0.00 0.00 179.45 178.98 1snl h GLU 45 N 0.20 0.00 0.17 0.07 4.39 -1.52 -1.12 114.58 116.77 1snl h GLU 45 Ca 0.07 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.45 1snl h GLU 45 Cb 0.05 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1snl h GLU 45 CO -0.01 0.00 -1.53 -0.07 -1.16 0.00 0.00 179.01 176.24 1snl h LEU 46 N 0.00 0.56 0.00 1.33 3.38 -1.07 -3.24 115.31 116.28 1snl h LEU 46 Ca 0.14 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1snl h LEU 46 Cb 0.75 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1snl h LEU 46 CO -0.00 1.58 0.00 -1.84 0.09 0.00 0.00 178.44 178.27 1snl n GLU 47 N -3.56 0.74 -0.01 1.13 -0.00 -0.46 -1.95 120.64 116.52 1snl n GLU 47 Ca -0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 57.16 56.94 1snl n GLU 47 Cb 1.06 -1.50 -0.12 0.00 -0.00 0.00 0.00 31.44 30.88 1snl n GLU 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1snl n LYS 48 N -1.00 0.64 -0.10 3.44 4.81 -0.96 -4.60 118.16 120.39 1snl n LYS 48 Ca 0.18 0.19 -0.19 0.00 -0.87 0.00 0.00 58.31 57.61 1snl n LYS 48 Cb 0.08 -1.74 -0.06 0.00 0.02 0.00 0.00 35.03 33.33 1snl n LYS 48 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1snl n VAL 49 N -2.89 1.39 0.00 3.15 0.31 -1.08 -4.98 118.33 114.23 1snl n VAL 49 Ca -0.16 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1snl n VAL 49 Cb 0.96 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 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 -4.19 0.00 -2.65 3.52 4.01 -0.82 -5.06 117.16 111.96 1snl n TYR 50 Ca -0.34 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.36 1snl n TYR 50 Cb 0.69 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.80 1snl n TYR 50 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1snl n ASP 51 N 0.00 -1.04 -3.58 7.72 2.03 -1.26 -4.95 116.55 115.47 1snl n ASP 51 Ca 0.00 -1.54 -0.30 0.00 0.52 0.00 0.00 54.79 53.47 1snl n ASP 51 Cb 0.00 0.53 0.29 0.00 -0.72 0.00 0.00 41.12 41.21 1snl n ASP 51 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1snl n PRO 52 N 1.50 -4.25 -3.88 -0.67 -0.02 -1.26 -3.60 135.00 122.82 1snl n PRO 52 Ca 0.00 -1.25 -0.28 0.00 -2.02 0.00 0.00 63.50 59.95 1snl n PRO 52 Cb 0.72 -1.97 0.03 0.00 -0.02 0.00 0.00 33.50 32.25 1snl n PRO 52 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1snl n LYS 53 N -5.51 -5.32 0.00 -0.52 5.02 -1.26 -4.56 118.16 106.02 1snl n LYS 53 Ca 0.10 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1snl n LYS 53 Cb 0.58 -5.39 0.00 0.00 -0.02 0.00 0.00 35.03 30.20 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 -2.88 0.00 -4.71 4.39 4.05 -1.24 -5.15 115.26 109.72 1snl n ASN 54 Ca -0.04 0.00 -0.23 0.00 0.45 0.00 0.00 54.58 54.76 1snl n ASN 54 Cb 0.56 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.50 1snl n ASN 54 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1snl s GLU 55 N -0.47 2.35 0.00 1.20 2.02 -1.24 -5.12 118.70 117.44 1snl s GLU 55 Ca 0.00 -1.52 0.00 0.00 0.02 0.00 0.00 54.97 53.47 1snl s GLU 55 Cb 0.00 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.07 1snl s GLU 55 CO 0.00 0.17 0.00 0.39 0.02 0.00 0.00 175.26 175.84 1snl n GLU 56 N -1.08 -0.66 -0.22 1.61 1.02 -1.26 -4.64 120.64 115.41 1snl n GLU 56 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1snl n GLU 56 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.03 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 -1.90 3.40 0.00 1.62 8.00 -1.26 -4.38 116.55 122.03 1snl n ASP 57 Ca 0.00 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1snl n ASP 57 Cb 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 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 1.15 0.00 0.00 -2.24 8.00 -1.26 -0.03 116.55 122.16 1snl n ASP 58 Ca 0.00 0.22 0.08 0.00 0.71 0.00 0.00 54.79 55.80 1snl n ASP 58 Cb 0.40 -0.22 0.39 0.00 -0.02 0.00 0.00 41.12 41.66 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 -1.19 0.22 -0.10 -1.24 2.81 -1.26 -2.92 117.12 113.44 1snl n MET 59 Ca 0.00 0.14 -0.21 0.00 -1.81 0.00 0.00 57.70 55.82 1snl n MET 59 Cb 0.21 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.10 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 0.01 0.45 0.03 2.43 -0.84 -3.28 114.38 113.19 1snl h ARG 60 Ca 0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1snl h ARG 60 Cb 0.15 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1snl h ARG 60 CO 0.00 1.01 -0.39 0.93 -1.51 0.00 0.00 179.97 180.02 1snl h GLU 61 N -0.95 -0.81 0.00 0.20 4.39 -1.73 -0.38 114.58 115.31 1snl h GLU 61 Ca -0.33 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1snl h GLU 61 Cb 1.32 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 1snl h GLU 61 CO -0.18 -0.54 0.00 0.00 -1.16 0.00 0.00 179.01 177.13 1snl n MET 62 N -5.49 0.00 0.15 2.33 0.00 -1.19 -3.29 117.12 109.62 1snl n MET 62 Ca -0.11 0.35 0.10 0.00 0.00 0.00 0.00 57.70 58.04 1snl n MET 62 Cb 0.39 -1.50 0.16 0.00 0.00 0.00 0.00 33.22 32.27 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 0.00 0.00 -1.00 3.17 4.11 -1.12 0.67 114.58 120.41 1snl h GLU 63 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.55 1snl h GLU 63 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1snl h GLU 63 CO 0.00 0.00 0.63 0.93 0.07 0.00 0.00 179.01 180.64 1snl h GLU 64 N 0.00 0.95 -0.22 1.06 5.08 -1.79 -0.70 114.58 118.97 1snl h GLU 64 Ca 0.16 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 1snl h GLU 64 Cb 2.28 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 31.32 1snl h GLU 64 CO -0.00 0.63 -0.51 0.93 -1.00 0.00 0.00 179.01 179.06 1snl h GLU 65 N 0.98 0.73 -0.81 2.33 4.39 0.04 -1.81 114.58 120.43 1snl h GLU 65 Ca 0.50 -0.49 0.15 0.00 0.34 0.00 0.00 59.36 59.85 1snl h GLU 65 Cb 0.50 0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.13 1snl h GLU 65 CO -0.26 1.12 0.37 -0.09 -1.16 0.00 0.00 179.01 178.98 1snl h ARG 66 N 0.45 0.50 0.00 2.33 9.65 -1.24 0.22 114.38 126.28 1snl h ARG 66 Ca -0.00 -0.03 -0.13 0.00 -1.10 0.00 0.00 59.98 58.72 1snl h ARG 66 Cb 1.12 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.57 1snl h ARG 66 CO 0.11 0.33 -0.63 -0.07 2.80 0.00 0.00 179.97 182.52 1snl h LEU 67 N 0.52 0.00 -0.23 3.80 3.38 -1.22 -0.36 115.31 121.20 1snl h LEU 67 Ca 0.45 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.20 1snl h LEU 67 Cb 0.67 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.43 1snl h LEU 67 CO -0.39 0.63 -0.80 -0.09 0.09 0.00 0.00 178.44 177.87 1snl h ARG 68 N 0.00 0.64 0.15 1.13 9.65 0.18 -0.29 114.38 125.84 1snl h ARG 68 Ca -0.01 -0.55 -0.32 0.00 -1.10 0.00 0.00 59.98 58.00 1snl h ARG 68 Cb 1.33 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 30.03 1snl h ARG 68 CO 0.08 1.16 -1.65 0.52 2.80 0.00 0.00 179.97 182.88 1snl h MET 69 N 0.43 0.31 -0.47 0.20 2.86 -0.78 -2.25 114.93 115.22 1snl h MET 69 Ca -0.05 -0.53 -0.13 0.00 -2.06 0.00 0.00 59.70 56.92 1snl h MET 69 Cb 1.41 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 33.26 1snl h MET 69 CO 0.15 1.26 -0.23 -0.09 1.06 0.00 0.00 176.91 179.06 1snl h ARG 70 N -0.07 0.98 0.00 1.72 2.43 -1.16 -2.84 114.38 115.44 1snl h ARG 70 Ca -0.34 -0.43 -0.09 0.00 -0.81 0.00 0.00 59.98 58.31 1snl h ARG 70 Cb 1.95 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.46 1snl h ARG 70 CO 0.11 1.10 -0.52 1.49 -1.51 0.00 0.00 179.97 180.64 1snl h GLU 71 N 0.84 0.00 -0.96 0.20 4.81 -1.19 -2.88 114.58 115.40 1snl h GLU 71 Ca 0.11 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.47 1snl h GLU 71 Cb 0.81 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.10 1snl h GLU 71 CO 0.07 0.85 0.58 1.25 -0.73 0.00 0.00 179.01 181.02 1snl h HIS 72 N -1.00 1.04 -0.03 0.92 2.76 -1.48 0.82 115.15 118.18 1snl h HIS 72 Ca -0.14 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.00 1snl h HIS 72 Cb 1.00 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.65 1snl h HIS 72 CO 0.15 0.36 -0.23 0.28 -1.30 0.00 0.00 177.93 177.19 1snl h VAL 73 N 0.87 1.48 0.00 5.26 2.07 -1.66 -2.23 116.25 122.05 1snl h VAL 73 Ca 0.49 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1snl h VAL 73 Cb 0.56 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1snl h VAL 73 CO -0.30 0.48 0.00 0.24 0.02 0.00 0.00 177.57 178.02 1snl h MET 74 N -0.36 0.00 0.06 1.57 2.07 -1.18 0.27 114.93 117.36 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 0.91 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.60 1snl h MET 74 CO 0.05 0.00 -1.87 1.17 1.07 0.00 0.00 176.91 177.33 1snl n LYS 75 N -2.64 0.69 -0.05 1.72 4.81 0.28 -3.99 118.16 118.99 1snl n LYS 75 Ca 0.01 0.27 -0.02 0.00 -0.87 0.00 0.00 58.31 57.71 1snl n LYS 75 Cb 0.25 -1.75 -0.11 0.00 0.02 0.00 0.00 35.03 33.45 1snl n LYS 75 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1snl n ASN 76 N -3.24 1.59 -0.06 3.14 2.04 -0.84 -4.66 115.26 113.23 1snl n ASN 76 Ca -0.24 0.00 -0.10 0.00 -0.44 0.00 0.00 54.58 53.79 1snl n ASN 76 Cb 1.05 1.14 -0.15 0.00 -2.53 0.00 0.00 39.78 39.29 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 -2.34 1.53 -2.02 3.53 0.31 0.08 -4.76 118.33 114.66 1snl n VAL 77 Ca -0.16 -0.80 -0.40 0.00 -0.01 0.00 0.00 64.34 62.97 1snl n VAL 77 Cb 0.75 -0.87 -0.03 0.00 -0.91 0.00 0.00 33.84 32.78 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 -5.93 5.48 -0.15 4.52 1.11 -1.20 -4.77 116.67 115.74 1snl s ASP 78 Ca -0.09 0.69 -0.19 0.00 0.18 0.00 0.00 52.55 53.14 1snl s ASP 78 Cb 0.07 -2.53 -0.16 0.00 1.07 0.00 0.00 42.92 41.37 1snl s ASP 78 CO 0.81 -2.15 0.38 0.71 1.18 0.00 0.00 175.17 176.11 1snl h THR 79 N 6.88 1.03 -0.70 -1.27 1.35 -1.90 -3.36 112.91 114.94 1snl h THR 79 Ca -0.28 -1.88 -0.19 0.00 -0.55 0.00 0.00 66.41 63.50 1snl h THR 79 Cb 1.17 2.05 -0.11 0.00 -1.73 0.00 0.00 68.15 69.52 1snl h THR 79 CO 1.15 0.35 0.23 -3.20 -0.25 0.00 0.00 175.52 173.80 1snl n ASN 80 N -4.61 4.82 -2.63 5.36 4.05 -1.26 -4.92 115.26 116.08 1snl n ASN 80 Ca -0.12 -3.21 -0.15 0.00 0.45 0.00 0.00 54.58 51.54 1snl n ASN 80 Cb 0.40 -0.73 -0.03 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 -0.14 -1.37 -0.13 1.20 1.13 -1.26 -4.64 117.38 112.17 1snl n GLN 81 Ca 0.39 0.05 0.03 0.00 -1.94 0.00 0.00 57.00 55.53 1snl n GLN 81 Cb 1.35 -2.69 0.09 0.00 0.11 0.00 0.00 30.24 29.10 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 -1.01 1.28 0.00 1.08 2.03 -1.26 -4.80 116.55 113.88 1snl n ASP 82 Ca 0.04 -2.05 0.00 0.00 0.52 0.00 0.00 54.79 53.30 1snl n ASP 82 Cb 0.27 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 0.09 0.00 -5.18 -0.67 1.74 -1.26 -4.89 116.66 106.49 1snl n ARG 83 Ca 0.07 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.84 1snl n ARG 83 Cb 0.23 -3.66 -0.16 0.00 -1.02 0.00 0.00 32.46 27.84 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 2.04 -0.13 0.55 1.02 -1.26 -3.68 118.68 117.22 1snl s LEU 84 Ca 0.00 -0.49 -0.00 0.00 0.02 0.00 0.00 54.13 53.66 1snl s LEU 84 Cb 0.00 -1.31 -0.02 0.00 0.02 0.00 0.00 46.19 44.89 1snl s LEU 84 CO 0.00 0.22 -0.13 -0.69 0.02 0.00 0.00 176.35 175.77 1snl s VAL 85 N -0.06 3.09 0.49 -1.59 1.01 -0.95 -4.86 120.40 117.52 1snl s VAL 85 Ca -0.06 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.36 1snl s VAL 85 Cb -0.14 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 33.99 1snl s VAL 85 CO 0.04 0.52 0.67 0.42 0.00 0.00 0.00 175.10 176.75 1snl s THR 86 N 0.33 2.62 0.15 3.92 -4.23 -1.26 -2.21 115.64 114.95 1snl s THR 86 Ca -0.10 -1.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.35 1snl s THR 86 Cb -0.16 -2.62 -0.13 0.00 1.34 0.00 0.00 72.50 70.93 1snl s THR 86 CO 0.06 0.00 1.38 0.25 -0.54 0.00 0.00 174.62 175.76 1snl h LEU 87 N 0.44 0.66 0.81 4.79 5.85 -2.00 -2.74 115.31 123.12 1snl h LEU 87 Ca -0.36 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 57.89 1snl h LEU 87 Cb 1.28 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 42.13 1snl h LEU 87 CO 0.43 1.20 -0.39 -0.33 -0.34 0.00 0.00 178.44 179.02 1snl h GLU 88 N 0.37 -1.05 -0.20 1.25 5.08 -1.95 -0.78 114.58 117.31 1snl h GLU 88 Ca -0.04 0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1snl h GLU 88 Cb 1.36 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 1snl h GLU 88 CO 0.14 -0.70 -0.07 0.93 -1.00 0.00 0.00 179.01 178.31 1snl h GLU 89 N -1.27 0.30 0.17 2.33 4.39 -1.98 -2.85 114.58 115.67 1snl h GLU 89 Ca -0.11 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1snl h GLU 89 Cb 0.84 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1snl h GLU 89 CO 0.18 0.39 -0.08 0.35 -1.16 0.00 0.00 179.01 178.69 1snl h PHE 90 N 0.29 -0.22 -0.81 4.33 3.57 -1.43 -2.90 116.94 119.77 1snl h PHE 90 Ca 0.06 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.75 1snl h PHE 90 Cb 0.31 0.07 -0.13 0.00 2.79 0.00 0.00 35.95 38.99 1snl h PHE 90 CO 0.01 0.09 0.16 -0.07 -2.23 0.00 0.00 178.31 176.27 1snl h LEU 91 N -0.53 -0.08 0.10 0.59 4.07 -0.96 -0.84 115.31 117.66 1snl h LEU 91 Ca -0.02 0.18 0.02 0.00 0.08 0.00 0.00 57.88 58.14 1snl h LEU 91 Cb 0.41 0.26 -0.05 0.00 1.08 0.00 0.00 40.66 42.36 1snl h LEU 91 CO 0.04 -0.12 -0.42 0.00 -1.08 0.00 0.00 178.44 176.85 1snl h ALA 92 N 1.71 -0.74 -1.17 1.53 0.00 -1.31 1.95 119.26 121.23 1snl h ALA 92 Ca 0.48 -0.07 0.34 0.00 0.00 0.00 0.00 54.91 55.66 1snl h ALA 92 Cb 0.90 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 1snl h ALA 92 CO -0.61 -0.99 1.00 0.77 0.00 0.00 0.00 179.25 179.42 1snl h SER 93 N -0.65 0.00 0.00 0.00 0.02 -1.01 -1.68 113.55 110.23 1snl h SER 93 Ca 0.02 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.72 1snl h SER 93 Cb 0.68 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 1snl h SER 93 CO -0.26 0.00 -1.73 0.35 -1.14 0.00 0.00 176.83 174.05 1snl n THR 94 N -3.77 1.51 -0.47 -2.27 -2.24 0.24 -4.97 114.28 102.30 1snl n THR 94 Ca 0.26 -0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.69 1snl n THR 94 Cb 1.37 -2.09 0.18 0.00 -2.10 0.00 0.00 70.33 67.69 1snl n THR 94 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1snl n GLN 95 N -4.37 -2.77 -2.56 -0.78 7.27 0.64 -4.81 117.38 110.00 1snl n GLN 95 Ca -0.35 -0.82 -0.03 0.00 0.07 0.00 0.00 57.00 55.87 1snl n GLN 95 Cb 0.69 -1.60 0.11 0.00 2.41 0.00 0.00 30.24 31.85 1snl n GLN 95 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1snl n ARG 96 N -2.72 1.18 0.32 3.69 3.00 -1.26 -4.85 116.66 116.03 1snl n ARG 96 Ca 0.07 -1.19 0.12 0.00 -0.00 0.00 0.00 57.85 56.85 1snl n ARG 96 Cb 0.43 0.30 0.64 0.00 0.00 0.00 0.00 32.46 33.82 1snl n ARG 96 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1snl h LYS 97 N 1.08 0.00 -5.65 -0.14 3.64 -1.93 -3.36 116.57 110.20 1snl h LYS 97 Ca -0.38 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.73 1snl h LYS 97 Cb 1.27 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 1snl h LYS 97 CO -0.15 0.00 0.73 -1.21 -2.27 0.00 0.00 179.45 176.55 1snl s GLU 98 N -4.01 2.27 0.00 1.90 0.41 -1.26 -5.29 118.70 112.71 1snl s GLU 98 Ca -0.03 0.22 0.00 0.00 -0.41 0.00 0.00 54.97 54.76 1snl s GLU 98 Cb 0.07 -4.83 0.00 0.00 -1.78 0.00 0.00 34.13 27.59 1snl s GLU 98 CO 0.21 -3.55 0.00 0.34 -0.49 0.00 0.00 175.26 171.77