#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvl s GLN 2 N 0.00 0.92 -0.01 1.43 0.74 -1.26 -5.05 119.66 116.43 1nvl s GLN 2 Ca 0.00 -0.60 0.21 0.00 0.05 0.00 0.00 55.36 55.03 1nvl s GLN 2 Cb 0.00 -0.90 -0.27 0.00 1.10 0.00 0.00 33.01 32.93 1nvl s GLN 2 CO 0.00 0.23 0.53 0.00 -0.55 0.00 0.00 175.29 175.50 1nvl n ALA 3 N 2.31 2.58 -0.34 1.58 0.00 -1.26 -4.24 120.51 121.14 1nvl n ALA 3 Ca -0.16 -0.57 0.04 0.00 0.00 0.00 0.00 53.44 52.74 1nvl n ALA 3 Cb 0.55 -0.75 0.21 0.00 0.00 0.00 0.00 19.45 19.47 1nvl n ALA 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1nvl h GLU 4 N 0.00 1.06 -0.38 0.00 4.39 -1.98 0.18 114.58 117.85 1nvl h GLU 4 Ca -0.07 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 1nvl h GLU 4 Cb 1.17 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1nvl h GLU 4 CO 0.01 0.70 -0.05 0.35 -1.16 0.00 0.00 179.01 178.86 1nvl h PHE 5 N 1.10 0.78 -0.13 4.33 3.57 -1.94 -0.99 116.94 123.65 1nvl h PHE 5 Ca 0.42 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1nvl h PHE 5 Cb 0.22 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1nvl h PHE 5 CO -0.00 0.82 0.06 -0.44 -2.23 0.00 0.00 178.31 176.53 1nvl h ASP 6 N 0.51 0.18 -0.44 0.41 5.19 -1.47 0.35 116.42 121.15 1nvl h ASP 6 Ca 0.10 -0.13 0.09 0.00 -0.62 0.00 0.00 57.03 56.47 1nvl h ASP 6 Cb 0.55 -0.05 -0.08 0.00 0.18 0.00 0.00 39.33 39.93 1nvl h ASP 6 CO 0.03 0.26 -0.07 0.50 -3.12 0.00 0.00 179.24 176.84 1nvl h LYS 7 N 0.09 0.04 0.50 3.56 3.64 -0.64 0.34 116.57 124.09 1nvl h LYS 7 Ca 0.05 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1nvl h LYS 7 Cb 0.13 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1nvl h LYS 7 CO -0.01 0.02 -0.24 0.00 -2.27 0.00 0.00 179.45 176.96 1nvl h ALA 8 N 1.43 -0.67 -0.81 5.00 0.00 -0.65 0.16 119.26 123.72 1nvl h ALA 8 Ca 0.22 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1nvl h ALA 8 Cb 0.33 0.26 -0.15 0.00 0.00 0.00 0.00 17.79 18.23 1nvl h ALA 8 CO -0.43 -0.78 -0.27 0.00 0.00 0.00 0.00 179.25 177.77 1nvl h ALA 9 N -0.45 0.35 0.30 0.00 0.00 0.15 0.19 119.26 119.81 1nvl h ALA 9 Ca -0.07 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1nvl h ALA 9 Cb 0.59 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1nvl h ALA 9 CO 0.11 -0.50 -0.15 0.93 0.00 0.00 0.00 179.25 179.65 1nvl h GLU 10 N -0.04 -0.39 -0.91 0.00 4.39 -0.26 0.22 114.58 117.59 1nvl h GLU 10 Ca 0.36 0.03 0.19 0.00 0.34 0.00 0.00 59.36 60.27 1nvl h GLU 10 Cb 0.60 0.09 -0.17 0.00 -0.10 0.00 0.00 28.75 29.16 1nvl h GLU 10 CO -0.85 -0.15 -0.20 0.93 -1.16 0.00 0.00 179.01 177.58 1nvl h GLU 11 N -0.58 0.00 0.21 2.33 5.08 0.17 0.11 114.58 121.91 1nvl h GLU 11 Ca -0.04 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1nvl h GLU 11 Cb 0.42 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1nvl h GLU 11 CO 0.07 0.00 -0.10 0.28 -1.00 0.00 0.00 179.01 178.26 1nvl h VAL 12 N 0.00 0.88 -0.95 3.13 2.07 -0.43 -2.38 116.25 118.57 1nvl h VAL 12 Ca 0.45 -0.74 0.25 0.00 0.82 0.00 0.00 66.70 67.48 1nvl h VAL 12 Cb 0.71 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 1nvl h VAL 12 CO -0.93 0.16 0.66 0.11 0.02 0.00 0.00 177.57 177.59 1nvl h LYS 13 N -0.67 0.19 -0.00 1.57 1.57 0.70 0.45 116.57 120.39 1nvl h LYS 13 Ca -0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1nvl h LYS 13 Cb 0.47 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1nvl h LYS 13 CO 0.05 0.12 -0.01 0.72 -0.57 0.00 0.00 179.45 179.77 1nvl n HIS 14 N -4.40 0.00 -1.69 -1.35 8.25 0.27 -4.86 115.22 111.45 1nvl n HIS 14 Ca 0.21 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.25 1nvl n HIS 14 Cb 0.90 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.90 1nvl n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1nvl s LEU 15 N -2.15 4.41 0.33 2.41 1.43 0.16 -4.77 118.68 120.49 1nvl s LEU 15 Ca 0.42 2.75 0.16 0.00 -1.03 0.00 0.00 54.13 56.43 1nvl s LEU 15 Cb 0.21 -3.56 0.89 0.00 0.03 0.00 0.00 46.19 43.77 1nvl s LEU 15 CO 0.39 -1.03 1.43 0.29 0.23 0.00 0.00 176.35 177.67 1nvl n LYS 16 N 6.26 0.11 -4.07 1.70 4.01 -1.26 -4.54 118.16 120.36 1nvl n LYS 16 Ca 0.18 0.60 -0.10 0.00 -0.51 0.00 0.00 58.31 58.48 1nvl n LYS 16 Cb 0.39 -2.05 -0.11 0.00 -0.51 0.00 0.00 35.03 32.75 1nvl n LYS 16 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1nvl s THR 17 N -3.41 0.41 -0.55 -0.18 2.01 -1.26 -5.11 115.64 107.55 1nvl s THR 17 Ca -0.02 -1.34 -0.19 0.00 0.31 0.00 0.00 61.69 60.45 1nvl s THR 17 Cb 0.05 -0.90 0.08 0.00 0.01 0.00 0.00 72.50 71.74 1nvl s THR 17 CO 0.15 -0.62 0.66 -1.59 -0.69 0.00 0.00 174.62 172.53 1nvl s LYS 18 N -2.43 3.08 0.00 4.92 0.00 -1.26 -5.05 119.74 118.99 1nvl s LYS 18 Ca -0.04 -1.13 0.00 0.00 0.00 0.00 0.00 55.97 54.81 1nvl s LYS 18 Cb -0.04 -4.19 0.00 0.00 0.00 0.00 0.00 37.83 33.61 1nvl s LYS 18 CO -0.03 -1.38 0.00 -2.30 0.00 0.00 0.00 175.35 171.64 1nvl n PRO 19 N 6.23 -0.13 -2.04 1.78 -0.02 -1.26 -5.00 135.00 134.56 1nvl n PRO 19 Ca -0.08 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.10 1nvl n PRO 19 Cb 0.44 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.92 1nvl n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nvl s ALA 20 N -2.05 3.16 0.06 3.55 0.00 -1.26 -4.74 121.76 120.48 1nvl s ALA 20 Ca 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.64 1nvl s ALA 20 Cb 0.00 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 1nvl s ALA 20 CO 0.00 -0.61 1.24 -0.44 0.00 0.00 0.00 175.76 175.96 1nvl h ASP 21 N -0.18 -0.81 -0.68 0.00 5.19 -1.97 0.20 116.42 118.16 1nvl h ASP 21 Ca -0.45 0.10 0.14 0.00 -0.62 0.00 0.00 57.03 56.21 1nvl h ASP 21 Cb 1.19 0.33 -0.13 0.00 0.18 0.00 0.00 39.33 40.90 1nvl h ASP 21 CO 0.62 -0.19 -0.14 -0.62 -3.12 0.00 0.00 179.24 175.78 1nvl n GLU 22 N -3.87 -0.06 0.26 3.56 1.02 -1.26 0.92 120.64 121.21 1nvl n GLU 22 Ca -0.02 1.06 -0.14 0.00 -0.02 0.00 0.00 57.16 58.04 1nvl n GLU 22 Cb 0.16 -1.59 -0.07 0.00 -0.02 0.00 0.00 31.44 29.91 1nvl n GLU 22 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1nvl h GLU 23 N 0.00 -0.68 -0.43 3.49 5.08 -1.69 0.13 114.58 120.48 1nvl h GLU 23 Ca 0.34 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.83 1nvl h GLU 23 Cb 0.55 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.86 1nvl h GLU 23 CO -0.69 -0.37 -0.27 0.52 -1.00 0.00 0.00 179.01 177.19 1nvl h MET 24 N -1.04 -0.18 -0.39 2.33 2.86 0.29 0.31 114.93 119.12 1nvl h MET 24 Ca -0.07 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1nvl h MET 24 Cb 0.61 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.23 1nvl h MET 24 CO 0.12 -0.12 -0.47 -0.07 1.06 0.00 0.00 176.91 177.43 1nvl h LEU 25 N -0.18 -1.54 0.63 1.22 3.38 0.58 0.39 115.31 119.79 1nvl h LEU 25 Ca 0.20 0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.36 1nvl h LEU 25 Cb 0.50 0.66 0.01 0.00 0.09 0.00 0.00 40.66 41.91 1nvl h LEU 25 CO -0.54 -0.39 -0.30 0.15 0.09 0.00 0.00 178.44 177.45 1nvl h PHE 26 N -0.36 -0.78 -0.39 1.13 3.04 0.36 0.90 116.94 120.84 1nvl h PHE 26 Ca 0.12 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.13 1nvl h PHE 26 Cb 0.60 0.26 -0.08 0.00 2.56 0.00 0.00 35.95 39.28 1nvl h PHE 26 CO -0.64 -0.48 -0.20 0.82 -2.02 0.00 0.00 178.31 175.79 1nvl h ILE 27 N -0.86 0.42 0.76 1.41 1.08 0.18 0.18 117.51 120.67 1nvl h ILE 27 Ca -0.09 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.35 1nvl h ILE 27 Cb 0.66 0.42 0.01 0.00 -3.07 0.00 0.00 36.82 34.84 1nvl h ILE 27 CO 0.14 0.00 -0.36 0.22 -0.69 0.00 0.00 178.15 177.46 1nvl h TYR 28 N -0.13 -0.95 -0.14 1.37 3.20 -0.12 0.54 116.97 120.75 1nvl h TYR 28 Ca 0.19 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1nvl h TYR 28 Cb 0.42 0.31 -0.07 0.00 1.54 0.00 0.00 36.73 38.94 1nvl h TYR 28 CO -0.43 -0.58 -0.47 0.66 -1.64 0.00 0.00 178.16 175.70 1nvl h SER 29 N -1.06 -1.50 0.68 -2.11 4.64 -0.47 0.13 113.55 113.86 1nvl h SER 29 Ca -0.10 0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1nvl h SER 29 Cb 0.79 0.60 0.01 0.00 -0.31 0.00 0.00 62.40 63.49 1nvl h SER 29 CO 0.17 -0.45 -0.33 0.45 -0.87 0.00 0.00 176.83 175.80 1nvl h HIS 30 N -0.53 -0.85 -1.01 4.77 3.86 -0.66 0.39 115.15 121.12 1nvl h HIS 30 Ca 0.06 -0.02 0.24 0.00 -1.16 0.00 0.00 60.37 59.49 1nvl h HIS 30 Cb 0.66 0.28 -0.12 0.00 1.06 0.00 0.00 27.41 29.28 1nvl h HIS 30 CO -0.53 -0.50 0.60 -0.92 0.86 0.00 0.00 177.93 177.44 1nvl h TYR 31 N -1.02 1.01 -0.01 2.45 3.20 0.27 0.49 116.97 123.36 1nvl h TYR 31 Ca -0.09 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1nvl h TYR 31 Cb 0.73 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1nvl h TYR 31 CO -0.01 0.08 -0.03 0.87 -1.64 0.00 0.00 178.16 177.43 1nvl h LYS 32 N 0.59 0.04 0.00 1.82 6.56 -0.46 -1.48 116.57 123.64 1nvl h LYS 32 Ca 0.64 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 60.19 1nvl h LYS 32 Cb 1.20 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.87 1nvl h LYS 32 CO -0.46 0.68 -0.03 1.96 -2.06 0.00 0.00 179.45 179.55 1nvl h GLN 33 N -0.60 0.00 0.00 3.15 1.08 0.73 0.75 115.11 120.22 1nvl h GLN 33 Ca -0.00 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.95 1nvl h GLN 33 Cb 0.69 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.08 1nvl h GLN 33 CO 0.01 0.03 -1.47 0.00 -0.95 0.00 0.00 178.83 176.45 1nvl h ALA 34 N 1.97 0.67 0.00 3.87 0.00 0.01 -3.28 119.26 122.50 1nvl h ALA 34 Ca -0.00 -1.21 -0.17 0.00 0.00 0.00 0.00 54.91 53.52 1nvl h ALA 34 Cb 0.18 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1nvl h ALA 34 CO 0.00 1.37 -1.65 0.25 0.00 0.00 0.00 179.25 179.23 1nvl n THR 35 N -3.08 0.65 -0.07 0.00 -2.24 -0.57 -4.65 114.28 104.33 1nvl n THR 35 Ca -0.12 -0.24 -0.04 0.00 -2.27 0.00 0.00 64.05 61.38 1nvl n THR 35 Cb 0.98 -0.99 -0.02 0.00 -2.10 0.00 0.00 70.33 68.20 1nvl n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1nvl h VAL 36 N -0.05 0.05 0.00 2.28 2.07 0.16 -3.51 116.25 117.25 1nvl h VAL 36 Ca -0.26 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.20 1nvl h VAL 36 Cb 1.38 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1nvl h VAL 36 CO -0.06 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.16 1nvl n GLY 37 N 1.64 0.09 3.55 2.17 0.00 0.56 -4.96 105.19 108.24 1nvl n GLY 37 Ca -0.07 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 1nvl n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nvl s ASP 38 N -4.00 5.04 -0.53 1.61 1.11 -1.26 -4.09 116.67 114.55 1nvl s ASP 38 Ca 0.00 0.57 -0.41 0.00 0.18 0.00 0.00 52.55 52.89 1nvl s ASP 38 Cb 0.00 -2.52 -0.19 0.00 1.07 0.00 0.00 42.92 41.28 1nvl s ASP 38 CO 0.00 -2.51 2.11 0.00 1.18 0.00 0.00 175.17 175.94 1nvl n ILE 39 N 7.44 0.00 -1.92 0.77 3.06 -1.26 -4.77 119.36 122.68 1nvl n ILE 39 Ca 0.25 0.00 -0.02 0.00 -2.50 0.00 0.00 62.75 60.48 1nvl n ILE 39 Cb 0.53 -0.48 0.13 0.00 0.54 0.00 0.00 39.64 40.35 1nvl n ILE 39 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1nvl n ASN 40 N 7.48 2.35 -1.89 9.51 0.23 -1.26 -4.96 115.26 126.72 1nvl n ASN 40 Ca 0.54 -3.45 0.00 0.00 -0.53 0.00 0.00 54.58 51.14 1nvl n ASN 40 Cb -0.03 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.22 1nvl n ASN 40 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1nvl n THR 41 N -0.74 0.00 -2.30 5.53 -2.24 -1.26 -5.14 114.28 108.13 1nvl n THR 41 Ca 0.22 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.74 1nvl n THR 41 Cb 0.83 -0.95 0.14 0.00 -2.10 0.00 0.00 70.33 68.26 1nvl n THR 41 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1nvl s GLU 42 N -1.74 1.23 -0.25 -0.78 2.02 -1.26 -5.07 118.70 112.86 1nvl s GLU 42 Ca 0.00 -0.81 -0.12 0.00 0.02 0.00 0.00 54.97 54.07 1nvl s GLU 42 Cb 0.00 -2.12 -0.05 0.00 0.10 0.00 0.00 34.13 32.06 1nvl s GLU 42 CO 0.00 -1.87 0.22 0.50 0.02 0.00 0.00 175.26 174.14 1nvl s ARG 43 N -5.47 4.06 0.00 1.61 3.52 -1.26 -4.99 118.95 116.42 1nvl s ARG 43 Ca 0.70 -0.18 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 1nvl s ARG 43 Cb -0.05 -3.58 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1nvl s ARG 43 CO 0.48 -0.04 0.00 -2.30 -0.81 0.00 0.00 175.30 172.63 1nvl n PRO 44 N 4.58 0.00 0.00 5.12 -0.02 -1.26 -4.85 135.00 138.56 1nvl n PRO 44 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1nvl n PRO 44 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1nvl n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nvl n GLY 45 N -0.70 0.43 2.71 -1.23 0.00 -1.26 -4.79 105.19 100.35 1nvl n GLY 45 Ca 0.00 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 1nvl n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nvl n MET 46 N 0.00 5.03 -3.68 1.61 2.81 -1.26 -4.84 117.12 116.79 1nvl n MET 46 Ca 0.00 -4.41 -0.28 0.00 -1.81 0.00 0.00 57.70 51.20 1nvl n MET 46 Cb 0.00 -2.53 -0.11 0.00 -0.71 0.00 0.00 33.22 29.87 1nvl n MET 46 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1nvl s LEU 47 N -3.47 3.29 -0.01 4.03 1.43 -1.26 -5.01 118.68 117.68 1nvl s LEU 47 Ca 0.40 -3.43 -0.02 0.00 -1.03 0.00 0.00 54.13 50.04 1nvl s LEU 47 Cb 0.15 -1.11 -0.09 0.00 0.03 0.00 0.00 46.19 45.17 1nvl s LEU 47 CO -0.07 -0.14 2.59 0.47 0.23 0.00 0.00 176.35 179.44 1nvl n ASP 48 N 2.47 5.34 0.00 2.29 8.00 -1.26 -3.29 116.55 130.09 1nvl n ASP 48 Ca 0.23 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 53.27 1nvl n ASP 48 Cb 0.40 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 1nvl n ASP 48 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1nvl n PHE 49 N 1.84 0.00 -0.09 1.24 -1.74 -1.26 -4.93 117.46 112.52 1nvl n PHE 49 Ca 0.16 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.97 1nvl n PHE 49 Cb 0.65 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.50 1nvl n PHE 49 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1nvl n LYS 50 N 0.00 0.77 0.00 3.97 5.02 -1.26 -4.67 118.16 121.99 1nvl n LYS 50 Ca 0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1nvl n LYS 50 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 1nvl n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nvl n GLY 51 N 1.74 -1.11 0.11 0.72 0.00 -1.21 -0.23 105.19 105.22 1nvl n GLY 51 Ca -0.30 0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 1nvl n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nvl h LYS 52 N 0.00 0.02 -0.15 1.61 6.56 -1.86 -3.32 116.57 119.43 1nvl h LYS 52 Ca 0.00 -0.02 0.05 0.00 -1.06 0.00 0.00 60.65 59.62 1nvl h LYS 52 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.61 1nvl h LYS 52 CO 0.00 0.76 -0.19 0.00 -2.06 0.00 0.00 179.45 177.95 1nvl h ALA 53 N 1.24 -0.12 0.00 3.86 0.00 -0.88 0.24 119.26 123.61 1nvl h ALA 53 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nvl h ALA 53 Cb 1.32 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1nvl h ALA 53 CO 0.10 -0.64 0.00 1.57 0.00 0.00 0.00 179.25 180.28 1nvl h LYS 54 N -0.23 0.00 0.00 0.00 2.10 -1.23 0.33 116.57 117.54 1nvl h LYS 54 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1nvl h LYS 54 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1nvl h LYS 54 CO -0.29 0.00 -0.28 1.87 -2.00 0.00 0.00 179.45 178.75 1nvl n TRP 55 N -2.47 0.45 -0.32 0.07 -0.00 0.13 -4.11 117.44 111.19 1nvl n TRP 55 Ca -0.01 0.20 -0.05 0.00 -0.00 0.00 0.00 57.50 57.64 1nvl n TRP 55 Cb 0.11 -0.50 -0.03 0.00 -0.00 0.00 0.00 31.31 30.89 1nvl n TRP 55 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1nvl n ASP 56 N -3.48 -0.70 -0.30 5.87 9.92 0.62 0.10 116.55 128.58 1nvl n ASP 56 Ca -0.04 1.41 0.35 0.00 -0.53 0.00 0.00 54.79 55.98 1nvl n ASP 56 Cb 0.15 -0.24 0.66 0.00 -0.64 0.00 0.00 41.12 41.04 1nvl n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nvl h ALA 57 N 0.71 3.08 0.01 2.24 0.00 -0.53 0.50 119.26 125.26 1nvl h ALA 57 Ca 0.19 -0.04 -0.38 0.00 0.00 0.00 0.00 54.91 54.68 1nvl h ALA 57 Cb 0.39 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1nvl h ALA 57 CO -0.77 -1.66 -2.41 1.87 0.00 0.00 0.00 179.25 176.28 1nvl n TRP 58 N -3.71 0.13 -0.24 0.00 -0.00 0.29 -4.25 117.44 109.66 1nvl n TRP 58 Ca 0.26 0.03 -0.01 0.00 -0.00 0.00 0.00 57.50 57.79 1nvl n TRP 58 Cb 1.42 -1.02 0.11 0.00 -0.00 0.00 0.00 31.31 31.83 1nvl n TRP 58 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 1nvl h ASN 59 N 0.01 0.56 0.01 5.87 -1.24 0.31 0.22 115.58 121.32 1nvl h ASN 59 Ca -0.56 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 56.49 1nvl h ASN 59 Cb 1.97 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 40.95 1nvl h ASN 59 CO -0.05 0.35 -0.00 -0.08 -1.29 0.00 0.00 177.43 176.36 1nvl h GLU 60 N 0.69 0.00 -0.01 6.67 4.57 -0.63 -0.58 114.58 125.30 1nvl h GLU 60 Ca 0.32 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 1nvl h GLU 60 Cb 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1nvl h GLU 60 CO -0.20 0.00 -0.45 1.28 -1.18 0.00 0.00 179.01 178.46 1nvl n LEU 61 N -3.14 1.47 -4.64 1.64 4.77 0.66 -4.99 117.00 112.76 1nvl n LEU 61 Ca -0.03 -0.70 -0.47 0.00 -0.03 0.00 0.00 56.01 54.78 1nvl n LEU 61 Cb 0.07 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1nvl n LEU 61 CO 0.21 0.29 1.01 1.17 -1.33 0.00 0.00 177.39 178.74 1nvl n LYS 62 N -0.41 1.81 0.00 3.23 4.81 -0.23 -2.34 118.16 125.03 1nvl n LYS 62 Ca 0.06 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1nvl n LYS 62 Cb 0.33 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.07 1nvl n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nvl n GLY 63 N 2.59 0.90 3.97 3.14 0.00 -1.26 -5.01 105.19 109.52 1nvl n GLY 63 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 1nvl n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nvl s THR 64 N -2.00 4.85 0.17 2.61 2.01 -0.99 -5.05 115.64 117.24 1nvl s THR 64 Ca 0.00 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1nvl s THR 64 Cb 0.00 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1nvl s THR 64 CO 0.00 -0.33 0.33 -0.55 -0.69 0.00 0.00 174.62 173.38 1nvl s SER 65 N -4.05 6.36 0.17 3.53 0.15 -1.26 -4.38 113.70 114.22 1nvl s SER 65 Ca 0.39 0.28 -0.25 0.00 0.70 0.00 0.00 55.95 57.07 1nvl s SER 65 Cb -0.09 -1.96 0.05 0.00 -1.71 0.00 0.00 66.02 62.30 1nvl s SER 65 CO 0.31 0.01 1.57 0.11 1.20 0.00 0.00 173.24 176.45 1nvl h LYS 66 N 2.09 -0.23 -0.59 5.44 6.56 -1.82 -2.68 116.57 125.34 1nvl h LYS 66 Ca -0.48 0.02 0.11 0.00 -1.06 0.00 0.00 60.65 59.23 1nvl h LYS 66 Cb 1.19 0.05 -0.11 0.00 -0.57 0.00 0.00 32.23 32.79 1nvl h LYS 66 CO 0.68 -0.15 -0.31 0.93 -2.06 0.00 0.00 179.45 178.54 1nvl h GLU 67 N -0.24 -0.14 -0.68 3.15 3.07 -1.86 0.62 114.58 118.50 1nvl h GLU 67 Ca 0.18 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.01 1nvl h GLU 67 Cb 0.56 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.48 1nvl h GLU 67 CO -0.65 -0.10 0.29 -0.44 -1.40 0.00 0.00 179.01 176.71 1nvl h ASP 68 N -0.15 0.92 -0.49 1.42 5.19 -1.88 -0.03 116.42 121.40 1nvl h ASP 68 Ca 0.24 -0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.45 1nvl h ASP 68 Cb 0.54 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 1nvl h ASP 68 CO -0.67 0.82 0.16 0.00 -3.12 0.00 0.00 179.24 176.43 1nvl h ALA 69 N 1.13 0.64 0.12 3.45 0.00 -1.02 -1.14 119.26 122.45 1nvl h ALA 69 Ca 0.23 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1nvl h ALA 69 Cb 0.18 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1nvl h ALA 69 CO -0.02 0.30 -0.20 0.52 0.00 0.00 0.00 179.25 179.84 1nvl h MET 70 N 0.66 -0.38 -0.13 0.00 2.86 0.12 0.59 114.93 118.65 1nvl h MET 70 Ca 0.16 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 1nvl h MET 70 Cb 0.27 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 1nvl h MET 70 CO -0.01 -0.25 -0.27 0.87 1.06 0.00 0.00 176.91 178.31 1nvl h LYS 71 N -0.39 -0.23 -0.72 1.72 1.57 -0.56 0.15 116.57 118.10 1nvl h LYS 71 Ca 0.02 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1nvl h LYS 71 Cb 0.41 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.70 1nvl h LYS 71 CO -0.11 -0.16 0.38 0.00 -0.57 0.00 0.00 179.45 179.00 1nvl h ALA 72 N -0.78 1.00 -0.10 3.86 0.00 -0.95 0.18 119.26 122.47 1nvl h ALA 72 Ca 0.03 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1nvl h ALA 72 Cb 0.32 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1nvl h ALA 72 CO -0.26 -0.00 -0.46 -0.92 0.00 0.00 0.00 179.25 177.62 1nvl h TYR 73 N 0.65 -1.32 -0.73 0.00 3.20 0.11 0.60 116.97 119.49 1nvl h TYR 73 Ca 0.35 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.27 1nvl h TYR 73 Cb 0.33 0.59 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 1nvl h TYR 73 CO -0.09 -0.51 0.48 0.82 -1.64 0.00 0.00 178.16 177.22 1nvl h ILE 74 N -0.54 1.19 0.00 1.81 2.04 -0.29 0.17 117.51 121.89 1nvl h ILE 74 Ca 0.06 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1nvl h ILE 74 Cb 0.66 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1nvl h ILE 74 CO -0.39 0.19 -0.08 0.44 0.00 0.00 0.00 178.15 178.31 1nvl h ASP 75 N 0.99 0.00 0.00 1.72 5.19 0.14 0.19 116.42 124.66 1nvl h ASP 75 Ca 0.27 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.58 1nvl h ASP 75 Cb -0.10 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 1nvl h ASP 75 CO -0.06 0.08 -0.52 0.50 -3.12 0.00 0.00 179.24 176.13 1nvl h LYS 76 N 0.00 0.00 -0.88 3.56 1.63 0.11 0.02 116.57 121.02 1nvl h LYS 76 Ca -0.00 0.00 0.24 0.00 -0.85 0.00 0.00 60.65 60.03 1nvl h LYS 76 Cb 0.33 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 31.82 1nvl h LYS 76 CO 0.01 0.96 0.22 0.28 -3.45 0.00 0.00 179.45 177.48 1nvl h VAL 77 N -1.00 0.30 0.75 2.00 2.07 -0.04 0.24 116.25 120.57 1nvl h VAL 77 Ca -0.14 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1nvl h VAL 77 Cb 1.09 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1nvl h VAL 77 CO -0.09 0.04 -0.36 -0.33 0.02 0.00 0.00 177.57 176.85 1nvl h GLU 78 N 0.19 -0.97 -0.99 1.57 4.39 -0.61 -0.07 114.58 118.08 1nvl h GLU 78 Ca 0.55 0.07 0.36 0.00 0.34 0.00 0.00 59.36 60.68 1nvl h GLU 78 Cb 1.12 0.22 -0.18 0.00 -0.10 0.00 0.00 28.75 29.81 1nvl h GLU 78 CO -0.67 -0.65 0.37 0.93 -1.16 0.00 0.00 179.01 177.84 1nvl h GLU 79 N -1.01 0.03 0.43 2.33 5.08 0.14 -0.98 114.58 120.60 1nvl h GLU 79 Ca -0.10 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1nvl h GLU 79 Cb 0.77 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1nvl h GLU 79 CO 0.17 0.02 -0.20 -0.07 -1.00 0.00 0.00 179.01 177.92 1nvl h LEU 80 N 0.03 -0.48 -0.99 1.33 3.38 -0.38 -3.15 115.31 115.05 1nvl h LEU 80 Ca 0.76 -0.09 0.23 0.00 0.09 0.00 0.00 57.88 58.86 1nvl h LEU 80 Cb 1.86 0.13 -0.19 0.00 0.09 0.00 0.00 40.66 42.55 1nvl h LEU 80 CO -0.81 -0.18 -0.14 0.50 0.09 0.00 0.00 178.44 177.91 1nvl h LYS 81 N -0.80 0.00 -0.67 1.13 3.64 0.41 0.36 116.57 120.64 1nvl h LYS 81 Ca -0.06 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1nvl h LYS 81 Cb 0.54 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1nvl h LYS 81 CO 0.10 0.00 0.36 0.87 -2.27 0.00 0.00 179.45 178.51 1nvl h LYS 82 N 0.00 0.92 -0.05 1.90 1.57 -1.54 0.12 116.57 119.48 1nvl h LYS 82 Ca 0.53 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 59.13 1nvl h LYS 82 Cb 0.93 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1nvl h LYS 82 CO -0.98 0.68 -0.26 0.87 -0.57 0.00 0.00 179.45 179.19 1nvl h LYS 83 N 0.93 0.27 0.00 3.15 1.57 -0.35 -3.38 116.57 118.76 1nvl h LYS 83 Ca 0.24 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1nvl h LYS 83 Cb 0.03 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1nvl h LYS 83 CO -0.04 0.86 -1.51 0.66 -0.57 0.00 0.00 179.45 178.85 1nvl n TYR 84 N -4.50 0.58 -0.52 -1.35 4.01 -0.03 -5.04 117.16 110.31 1nvl n TYR 84 Ca -0.08 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1nvl n TYR 84 Cb 0.47 -0.83 0.00 0.00 -0.31 0.00 0.00 39.34 38.67 1nvl n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nvl n GLY 85 N 1.28 1.18 0.40 2.72 0.00 0.40 -4.90 105.19 106.27 1nvl n GLY 85 Ca -0.05 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 45.86 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83