#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvl n GLN 2 N 0.00 0.00 -0.30 1.43 7.27 -1.26 -4.78 117.38 119.73 1nvl n GLN 2 Ca 0.00 0.00 0.24 0.00 0.07 0.00 0.00 57.00 57.31 1nvl n GLN 2 Cb 0.00 0.00 0.38 0.00 2.41 0.00 0.00 30.24 33.03 1nvl n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1nvl n ALA 3 N 1.05 0.83 -0.01 1.69 0.00 -1.26 -0.35 120.51 122.46 1nvl n ALA 3 Ca 0.00 0.36 -0.14 0.00 0.00 0.00 0.00 53.44 53.67 1nvl n ALA 3 Cb 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 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 0.67 0.05 0.00 3.07 -1.97 0.55 114.58 116.95 1nvl h GLU 4 Ca 0.45 -0.51 -0.08 0.00 -0.50 0.00 0.00 59.36 58.72 1nvl h GLU 4 Cb 1.67 0.09 0.01 0.00 -0.84 0.00 0.00 28.75 29.69 1nvl h GLU 4 CO -0.09 1.13 -0.34 0.35 -1.40 0.00 0.00 179.01 178.65 1nvl h PHE 5 N 0.47 0.24 0.02 4.33 3.57 -1.00 -1.28 116.94 123.29 1nvl h PHE 5 Ca -0.03 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1nvl h PHE 5 Cb 1.30 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 1nvl h PHE 5 CO 0.07 1.11 -0.02 -0.44 -2.23 0.00 0.00 178.31 176.80 1nvl h ASP 6 N -0.70 -0.05 -0.43 0.41 5.19 -1.45 -0.84 116.42 118.55 1nvl h ASP 6 Ca -0.06 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1nvl h ASP 6 Cb 1.24 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.75 1nvl h ASP 6 CO 0.06 -0.03 0.29 0.50 -3.12 0.00 0.00 179.24 176.94 1nvl h LYS 7 N -0.04 0.56 -0.10 3.56 1.63 0.02 -0.90 116.57 121.30 1nvl h LYS 7 Ca -0.00 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1nvl h LYS 7 Cb 0.04 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 1nvl h LYS 7 CO -0.00 0.37 0.03 0.00 -3.45 0.00 0.00 179.45 176.40 1nvl h ALA 8 N 1.73 0.11 -0.83 5.00 0.00 -0.11 -0.32 119.26 124.84 1nvl h ALA 8 Ca 0.16 0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.29 1nvl h ALA 8 Cb -0.06 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.61 1nvl h ALA 8 CO -0.04 -0.43 0.16 0.00 0.00 0.00 0.00 179.25 178.95 1nvl h ALA 9 N 1.06 1.09 0.56 0.00 0.00 0.17 0.18 119.26 122.33 1nvl h ALA 9 Ca 0.04 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1nvl h ALA 9 Cb 0.02 0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1nvl h ALA 9 CO -0.05 -0.43 -0.27 0.93 0.00 0.00 0.00 179.25 179.43 1nvl h GLU 10 N 0.19 -0.73 -0.72 0.00 5.08 -1.08 0.11 114.58 117.43 1nvl h GLU 10 Ca 0.49 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 59.06 1nvl h GLU 10 Cb 0.94 0.17 -0.12 0.00 0.50 0.00 0.00 28.75 30.23 1nvl h GLU 10 CO -0.64 -0.44 0.07 0.93 -1.00 0.00 0.00 179.01 177.94 1nvl h GLU 11 N -0.90 0.16 -0.17 2.33 5.08 0.50 0.39 114.58 121.97 1nvl h GLU 11 Ca -0.08 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.06 1nvl h GLU 11 Cb 0.63 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1nvl h GLU 11 CO 0.13 0.11 -0.72 -0.24 -1.00 0.00 0.00 179.01 177.29 1nvl h VAL 12 N 0.16 1.28 0.00 3.13 3.04 -0.65 -2.36 116.25 120.86 1nvl h VAL 12 Ca 0.40 -1.91 0.00 0.00 -1.01 0.00 0.00 66.70 64.18 1nvl h VAL 12 Cb 0.70 1.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 1nvl h VAL 12 CO -0.58 0.61 0.01 0.11 -1.01 0.00 0.00 177.57 176.71 1nvl h LYS 13 N 0.53 0.00 -0.24 4.17 1.79 0.75 0.31 116.57 123.88 1nvl h LYS 13 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1nvl h LYS 13 Cb 1.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1nvl h LYS 13 CO 0.15 0.00 0.00 0.72 -1.08 0.00 0.00 179.45 179.24 1nvl n HIS 14 N -2.73 0.30 -1.62 -1.35 8.25 -0.03 -4.95 115.22 113.10 1nvl n HIS 14 Ca -0.02 -0.15 -0.48 0.00 -0.26 0.00 0.00 57.72 56.81 1nvl n HIS 14 Cb 0.06 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 1nvl n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nvl n LEU 15 N 0.87 3.14 0.34 2.41 4.77 0.11 -4.76 117.00 123.88 1nvl n LEU 15 Ca 0.17 0.71 0.19 0.00 -0.03 0.00 0.00 56.01 57.05 1nvl n LEU 15 Cb 0.46 -1.38 1.03 0.00 -2.33 0.00 0.00 43.42 41.20 1nvl n LEU 15 CO 0.14 -0.31 1.16 0.11 -1.33 0.00 0.00 177.39 177.16 1nvl h LYS 16 N 11.03 0.00 -5.47 3.23 1.57 -1.89 -3.41 116.57 121.63 1nvl h LYS 16 Ca -0.43 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 57.92 1nvl h LYS 16 Cb 1.28 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.37 1nvl h LYS 16 CO 0.97 0.00 -0.79 0.99 -0.57 0.00 0.00 179.45 180.05 1nvl s THR 17 N -4.12 1.21 -0.43 -0.16 2.01 -1.26 -5.10 115.64 107.79 1nvl s THR 17 Ca -0.04 -1.36 -0.23 0.00 0.31 0.00 0.00 61.69 60.36 1nvl s THR 17 Cb 0.11 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.47 1nvl s THR 17 CO 0.34 -0.21 0.81 -0.54 -0.69 0.00 0.00 174.62 174.33 1nvl s LYS 18 N -1.82 3.50 0.68 4.92 3.01 -1.26 -5.04 119.74 123.74 1nvl s LYS 18 Ca -0.00 0.03 -0.11 0.00 -1.01 0.00 0.00 55.97 54.87 1nvl s LYS 18 Cb -0.10 -3.91 0.17 0.00 -1.01 0.00 0.00 37.83 32.99 1nvl s LYS 18 CO 0.03 -1.08 0.39 -2.30 0.51 0.00 0.00 175.35 172.90 1nvl n PRO 19 N 6.72 -2.93 -2.44 -1.68 -0.02 -1.26 -4.96 135.00 128.43 1nvl n PRO 19 Ca 0.03 -0.65 -0.35 0.00 -2.02 0.00 0.00 63.50 60.51 1nvl n PRO 19 Cb 0.48 -0.89 -0.02 0.00 -0.02 0.00 0.00 33.50 33.05 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 2.87 0.08 3.55 0.00 -1.26 -4.63 121.76 120.33 1nvl s ALA 20 Ca 0.30 0.71 -0.16 0.00 0.00 0.00 0.00 51.96 52.81 1nvl s ALA 20 Cb -0.05 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1nvl s ALA 20 CO 0.25 -0.45 1.20 -0.25 0.00 0.00 0.00 175.76 176.51 1nvl n ASP 21 N -0.85 -0.54 -0.34 0.00 9.92 -1.26 -0.15 116.55 123.34 1nvl n ASP 21 Ca 0.09 1.32 0.13 0.00 -0.53 0.00 0.00 54.79 55.80 1nvl n ASP 21 Cb 0.51 -0.32 0.26 0.00 -0.64 0.00 0.00 41.12 40.93 1nvl n ASP 21 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1nvl n GLU 22 N -4.16 -0.08 0.30 -1.24 1.02 -1.26 0.80 120.64 116.03 1nvl n GLU 22 Ca 0.01 1.47 -0.15 0.00 -0.02 0.00 0.00 57.16 58.46 1nvl n GLU 22 Cb 0.13 -2.31 -0.08 0.00 -0.02 0.00 0.00 31.44 29.17 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 -0.74 -0.51 3.49 5.08 -0.89 0.14 114.58 121.14 1nvl h GLU 23 Ca 0.57 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 59.03 1nvl h GLU 23 Cb 1.13 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 1nvl h GLU 23 CO -0.93 -0.43 -0.42 0.52 -1.00 0.00 0.00 179.01 176.75 1nvl h MET 24 N -0.98 -0.14 -0.80 2.33 2.86 0.20 0.88 114.93 119.28 1nvl h MET 24 Ca -0.08 0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.73 1nvl h MET 24 Cb 0.65 0.03 -0.15 0.00 0.06 0.00 0.00 31.60 32.19 1nvl h MET 24 CO 0.13 -0.09 -0.23 -0.07 1.06 0.00 0.00 176.91 177.71 1nvl h LEU 25 N -0.14 -0.84 0.50 1.22 3.38 0.45 0.29 115.31 120.17 1nvl h LEU 25 Ca 0.08 0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 1nvl h LEU 25 Cb 0.37 0.53 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1nvl h LEU 25 CO -0.56 -0.27 -0.24 0.15 0.09 0.00 0.00 178.44 177.60 1nvl h PHE 26 N -0.02 -0.63 -0.05 1.13 3.04 0.15 0.33 116.94 120.90 1nvl h PHE 26 Ca 0.37 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.34 1nvl h PHE 26 Cb 0.59 0.21 -0.04 0.00 2.56 0.00 0.00 35.95 39.26 1nvl h PHE 26 CO -0.66 -0.39 -0.20 0.82 -2.02 0.00 0.00 178.31 175.87 1nvl h ILE 27 N -0.68 0.51 0.41 1.41 1.08 0.45 0.90 117.51 121.61 1nvl h ILE 27 Ca -0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1nvl h ILE 27 Cb 0.52 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 1nvl h ILE 27 CO 0.11 0.00 -0.37 0.22 -0.69 0.00 0.00 178.15 177.42 1nvl h TYR 28 N -0.29 -1.01 -0.08 1.37 3.20 -0.31 0.19 116.97 120.04 1nvl h TYR 28 Ca 0.07 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1nvl h TYR 28 Cb 0.40 0.39 -0.06 0.00 1.54 0.00 0.00 36.73 39.00 1nvl h TYR 28 CO -0.27 -0.53 -0.51 0.66 -1.64 0.00 0.00 178.16 175.87 1nvl h SER 29 N -0.80 -1.61 -0.07 -2.11 4.64 -0.11 0.12 113.55 113.61 1nvl h SER 29 Ca -0.04 0.19 0.03 0.00 -0.47 0.00 0.00 61.79 61.50 1nvl h SER 29 Cb 0.70 0.62 -0.04 0.00 -0.31 0.00 0.00 62.40 63.37 1nvl h SER 29 CO -0.04 -0.47 -0.13 0.45 -0.87 0.00 0.00 176.83 175.76 1nvl h HIS 30 N -0.58 -0.34 -0.05 4.77 3.86 -0.78 -1.55 115.15 120.46 1nvl h HIS 30 Ca 0.02 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1nvl h HIS 30 Cb 0.66 0.16 -0.06 0.00 1.06 0.00 0.00 27.41 29.23 1nvl h HIS 30 CO -0.55 -0.20 -0.44 -0.92 0.86 0.00 0.00 177.93 176.68 1nvl h TYR 31 N -0.19 -1.25 -0.72 2.45 3.20 -0.21 0.20 116.97 120.45 1nvl h TYR 31 Ca 0.07 0.04 0.15 0.00 3.14 0.00 0.00 58.73 62.13 1nvl h TYR 31 Cb 0.29 0.55 -0.10 0.00 1.54 0.00 0.00 36.73 39.01 1nvl h TYR 31 CO -0.23 -0.50 0.21 0.87 -1.64 0.00 0.00 178.16 176.87 1nvl h LYS 32 N -0.56 0.31 0.41 1.82 1.79 -0.46 0.14 116.57 120.03 1nvl h LYS 32 Ca 0.05 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1nvl h LYS 32 Cb 0.65 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1nvl h LYS 32 CO -0.36 0.20 -0.20 0.37 -1.08 0.00 0.00 179.45 178.39 1nvl h GLN 33 N 0.32 -0.53 -1.78 3.15 -0.00 -0.88 0.87 115.11 116.24 1nvl h GLN 33 Ca 0.40 0.04 0.52 0.00 -0.00 0.00 0.00 58.65 59.61 1nvl h GLN 33 Cb 0.65 0.12 -0.07 0.00 0.00 0.00 0.00 27.48 28.18 1nvl h GLN 33 CO -0.46 -0.36 1.33 0.00 0.00 0.00 0.00 178.83 179.34 1nvl h ALA 34 N -1.27 3.69 0.00 3.38 0.00 -0.19 -3.00 119.26 121.87 1nvl h ALA 34 Ca -0.06 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1nvl h ALA 34 Cb 0.43 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1nvl h ALA 34 CO 0.09 -2.25 -1.11 0.25 0.00 0.00 0.00 179.25 176.23 1nvl n THR 35 N -3.91 0.68 -0.08 0.00 -2.24 0.45 -4.87 114.28 104.31 1nvl n THR 35 Ca 0.40 0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 62.05 1nvl n THR 35 Cb 1.87 -1.66 -0.10 0.00 -2.10 0.00 0.00 70.33 68.33 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 -0.28 1.15 0.00 2.28 2.07 0.69 -3.51 116.25 118.65 1nvl h VAL 36 Ca -0.14 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.35 1nvl h VAL 36 Cb 0.92 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1nvl h VAL 36 CO -0.09 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.50 1nvl n GLY 37 N 1.57 0.11 3.50 2.17 0.00 -0.32 -4.95 105.19 107.28 1nvl n GLY 37 Ca -0.16 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 1nvl n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nvl n ASP 38 N 0.00 0.89 0.00 1.61 9.92 -1.26 -4.58 116.55 123.13 1nvl n ASP 38 Ca 0.00 -1.88 0.00 0.00 -0.53 0.00 0.00 54.79 52.38 1nvl n ASP 38 Cb 0.00 -1.49 0.00 0.00 -0.64 0.00 0.00 41.12 38.99 1nvl n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nvl n ILE 39 N 8.22 0.00 -0.82 0.53 3.06 -1.26 -4.76 119.36 124.32 1nvl n ILE 39 Ca 0.40 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.53 1nvl n ILE 39 Cb 0.43 0.00 0.21 0.00 0.54 0.00 0.00 39.64 40.82 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 0.00 4.05 -4.42 9.51 2.04 -1.26 -4.87 115.26 120.31 1nvl n ASN 40 Ca 0.00 -3.21 -0.23 0.00 -0.44 0.00 0.00 54.58 50.70 1nvl n ASN 40 Cb 0.00 -0.75 -0.11 0.00 -2.53 0.00 0.00 39.78 36.39 1nvl n ASN 40 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1nvl s THR 41 N -2.73 2.25 0.46 5.53 -4.23 -1.26 -5.16 115.64 110.50 1nvl s THR 41 Ca 0.48 -2.23 0.08 0.00 -1.18 0.00 0.00 61.69 58.84 1nvl s THR 41 Cb 0.39 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 72.10 1nvl s THR 41 CO 0.11 -0.36 0.63 -1.83 -0.54 0.00 0.00 174.62 172.63 1nvl s GLU 42 N -3.25 2.70 -0.18 3.99 -1.05 -1.26 -5.04 118.70 114.61 1nvl s GLU 42 Ca 0.25 -1.29 -0.35 0.00 -0.15 0.00 0.00 54.97 53.43 1nvl s GLU 42 Cb -0.05 -2.72 -0.12 0.00 -0.44 0.00 0.00 34.13 30.80 1nvl s GLU 42 CO 0.11 -0.42 1.94 -2.13 0.95 0.00 0.00 175.26 175.71 1nvl n ARG 43 N -1.97 1.80 -0.27 -4.83 0.63 -1.26 -4.93 116.66 105.83 1nvl n ARG 43 Ca 0.10 0.63 -0.07 0.00 -0.92 0.00 0.00 57.85 57.58 1nvl n ARG 43 Cb 0.60 -2.57 -0.06 0.00 0.45 0.00 0.00 32.46 30.87 1nvl n ARG 43 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1nvl n PRO 44 N 6.91 -0.28 -3.90 -0.14 -0.04 -1.26 -4.91 135.00 131.37 1nvl n PRO 44 Ca 0.27 1.21 -0.29 0.00 -0.04 0.00 0.00 63.50 64.66 1nvl n PRO 44 Cb 0.27 -1.79 0.02 0.00 -0.04 0.00 0.00 33.50 31.96 1nvl n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nvl n GLY 45 N -1.16 -0.44 0.13 0.55 0.00 -1.26 -4.91 105.19 98.10 1nvl n GLY 45 Ca 0.01 0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.58 0.59 -0.01 1.61 2.81 -1.26 -4.85 117.12 111.43 1nvl n MET 46 Ca -0.03 0.31 -0.04 0.00 -1.81 0.00 0.00 57.70 56.13 1nvl n MET 46 Cb 0.56 -1.55 -0.01 0.00 -0.71 0.00 0.00 33.22 31.51 1nvl n MET 46 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1nvl n LEU 47 N -4.20 0.47 0.00 4.03 7.99 -1.26 -5.08 117.00 118.95 1nvl n LEU 47 Ca -0.50 0.07 0.00 0.00 -0.01 0.00 0.00 56.01 55.58 1nvl n LEU 47 Cb 0.86 -0.17 0.00 0.00 -0.11 0.00 0.00 43.42 44.00 1nvl n LEU 47 CO 0.08 -0.07 0.00 -0.67 -1.51 0.00 0.00 177.39 175.23 1nvl n ASP 48 N -3.27 0.00 0.00 -1.43 2.03 -1.26 -5.05 116.55 107.57 1nvl n ASP 48 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1nvl n ASP 48 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1nvl n ASP 48 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1nvl n PHE 49 N 0.00 0.00 -0.14 -0.67 -1.74 -1.26 -0.76 117.46 112.89 1nvl n PHE 49 Ca 0.00 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 56.91 1nvl n PHE 49 Cb 0.00 0.00 0.04 0.00 1.52 0.00 0.00 39.48 41.04 1nvl n PHE 49 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 1nvl n LYS 50 N 0.00 -0.05 0.00 3.97 4.81 -1.26 -0.14 118.16 125.49 1nvl n LYS 50 Ca 0.00 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1nvl n LYS 50 Cb 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 35.03 34.16 1nvl n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nvl n GLY 51 N -1.22 -1.28 0.32 3.14 0.00 -1.25 -0.57 105.19 104.32 1nvl n GLY 51 Ca 0.05 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.28 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 0.15 0.69 1.61 1.57 -0.16 -0.01 116.57 120.42 1nvl h LYS 52 Ca 0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1nvl h LYS 52 Cb 0.00 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.28 1nvl h LYS 52 CO 0.00 0.10 -0.33 0.00 -0.57 0.00 0.00 179.45 178.65 1nvl h ALA 53 N 1.89 -0.94 -0.04 3.86 0.00 -0.65 0.51 119.26 123.89 1nvl h ALA 53 Ca 0.68 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.40 1nvl h ALA 53 Cb 1.56 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1nvl h ALA 53 CO -0.72 -0.88 0.11 0.87 0.00 0.00 0.00 179.25 178.64 1nvl h LYS 54 N -1.23 0.00 0.00 0.00 1.57 0.12 0.29 116.57 117.32 1nvl h LYS 54 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1nvl h LYS 54 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1nvl h LYS 54 CO 0.16 0.00 -0.00 2.35 -0.57 0.00 0.00 179.45 181.38 1nvl h TRP 55 N 0.00 0.00 -0.64 -1.35 7.01 -0.62 -3.00 115.95 117.35 1nvl h TRP 55 Ca 0.02 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.08 1nvl h TRP 55 Cb 0.24 0.00 -0.08 0.00 -2.10 0.00 0.00 29.16 27.22 1nvl h TRP 55 CO 0.00 0.00 -0.38 -0.25 -2.79 0.00 0.00 178.44 175.02 1nvl n ASP 56 N -2.11 -0.68 -0.29 2.65 9.92 0.18 0.99 116.55 127.20 1nvl n ASP 56 Ca -0.00 1.23 0.10 0.00 -0.53 0.00 0.00 54.79 55.59 1nvl n ASP 56 Cb 0.00 -0.19 0.26 0.00 -0.64 0.00 0.00 41.12 40.55 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 0.24 1.27 0.24 2.24 0.00 -0.60 0.48 119.26 123.14 1nvl h ALA 57 Ca 0.10 0.15 -0.34 0.00 0.00 0.00 0.00 54.91 54.83 1nvl h ALA 57 Cb 0.26 0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.24 1nvl h ALA 57 CO -0.61 -0.31 -1.54 2.35 0.00 0.00 0.00 179.25 179.15 1nvl h TRP 58 N 0.39 0.94 -0.97 0.00 7.01 0.78 -3.26 115.95 120.84 1nvl h TRP 58 Ca 0.50 -0.69 0.19 0.00 2.11 0.00 0.00 58.89 61.01 1nvl h TRP 58 Cb 0.90 -0.04 -0.09 0.00 -2.10 0.00 0.00 29.16 27.84 1nvl h TRP 58 CO -0.17 1.59 0.61 -0.97 -2.79 0.00 0.00 178.44 176.71 1nvl h ASN 59 N 0.14 0.65 -0.41 2.65 -1.24 0.13 -0.65 115.58 116.85 1nvl h ASN 59 Ca -0.28 0.07 0.12 0.00 0.71 0.00 0.00 56.30 56.92 1nvl h ASN 59 Cb 2.16 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 41.14 1nvl h ASN 59 CO 0.26 0.25 0.80 -0.33 -1.29 0.00 0.00 177.43 177.13 1nvl h GLU 60 N 0.65 0.00 -0.33 6.67 4.39 -1.00 0.33 114.58 125.29 1nvl h GLU 60 Ca 0.53 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.23 1nvl h GLU 60 Cb 0.97 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1nvl h GLU 60 CO -0.29 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 178.84 1nvl n LEU 61 N -3.08 3.17 -4.65 1.33 4.77 -0.25 -4.96 117.00 113.33 1nvl n LEU 61 Ca 0.08 -2.25 -0.43 0.00 -0.03 0.00 0.00 56.01 53.39 1nvl n LEU 61 Cb 0.95 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 1nvl n LEU 61 CO 0.16 0.72 1.28 -0.75 -1.33 0.00 0.00 177.39 177.47 1nvl s LYS 62 N -1.45 4.12 0.00 3.23 2.20 0.11 -1.61 119.74 126.34 1nvl s LYS 62 Ca 0.28 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 1nvl s LYS 62 Cb 0.18 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1nvl s LYS 62 CO 0.14 -0.89 0.00 0.41 -0.36 0.00 0.00 175.35 174.65 1nvl n GLY 63 N 4.08 1.05 3.95 5.54 0.00 -1.26 -5.01 105.19 113.54 1nvl n GLY 63 Ca 0.17 0.00 -0.23 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 4.96 -0.47 2.61 2.01 -0.63 -5.04 115.64 117.07 1nvl s THR 64 Ca 0.00 -0.62 -0.19 0.00 0.31 0.00 0.00 61.69 61.19 1nvl s THR 64 Cb 0.00 -3.79 0.04 0.00 0.01 0.00 0.00 72.50 68.76 1nvl s THR 64 CO 0.00 -0.46 0.58 -0.44 -0.69 0.00 0.00 174.62 173.61 1nvl s SER 65 N -4.05 6.24 0.05 3.53 0.01 -1.26 -4.93 113.70 113.29 1nvl s SER 65 Ca 0.40 -0.71 -0.03 0.00 1.31 0.00 0.00 55.95 56.92 1nvl s SER 65 Cb -0.09 -2.28 0.06 0.00 0.21 0.00 0.00 66.02 63.92 1nvl s SER 65 CO 0.34 -0.78 0.31 0.29 0.41 0.00 0.00 173.24 173.82 1nvl n LYS 66 N 6.03 -0.04 -0.31 12.44 5.02 -1.26 -0.51 118.16 139.53 1nvl n LYS 66 Ca -0.05 0.31 0.21 0.00 -2.02 0.00 0.00 58.31 56.76 1nvl n LYS 66 Cb 0.46 -0.46 0.40 0.00 -0.02 0.00 0.00 35.03 35.41 1nvl n LYS 66 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1nvl n GLU 67 N -4.31 -0.07 0.06 1.97 4.71 -1.26 0.81 120.64 122.55 1nvl n GLU 67 Ca 0.02 1.36 -0.11 0.00 -0.01 0.00 0.00 57.16 58.42 1nvl n GLU 67 Cb 0.09 -2.28 -0.01 0.00 -1.01 0.00 0.00 31.44 28.23 1nvl n GLU 67 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1nvl h ASP 68 N 0.00 0.50 -0.18 1.62 3.32 -1.21 0.36 116.42 120.84 1nvl h ASP 68 Ca 0.67 -0.36 -0.09 0.00 0.02 0.00 0.00 57.03 57.27 1nvl h ASP 68 Cb 1.59 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.97 1nvl h ASP 68 CO -0.81 1.13 -0.17 0.00 -1.72 0.00 0.00 179.24 177.66 1nvl h ALA 69 N 0.85 1.09 0.53 3.45 0.00 0.31 0.54 119.26 126.04 1nvl h ALA 69 Ca -0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1nvl h ALA 69 Cb 1.43 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1nvl h ALA 69 CO 0.14 0.56 -0.26 0.52 0.00 0.00 0.00 179.25 180.22 1nvl h MET 70 N 0.53 -0.69 0.00 0.00 2.86 0.02 0.78 114.93 118.44 1nvl h MET 70 Ca 0.09 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1nvl h MET 70 Cb 0.60 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1nvl h MET 70 CO 0.04 -0.38 0.00 1.63 1.06 0.00 0.00 176.91 179.26 1nvl n LYS 71 N -5.29 0.00 -0.35 1.72 5.02 0.09 -0.10 118.16 119.24 1nvl n LYS 71 Ca -0.11 0.86 0.14 0.00 -2.02 0.00 0.00 58.31 57.18 1nvl n LYS 71 Cb 0.32 -1.48 0.34 0.00 -0.02 0.00 0.00 35.03 34.19 1nvl n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nvl h ALA 72 N -1.27 1.72 0.38 7.82 0.00 -0.93 0.41 119.26 127.39 1nvl h ALA 72 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1nvl h ALA 72 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1nvl h ALA 72 CO 0.00 -0.10 -0.25 -0.92 0.00 0.00 0.00 179.25 177.98 1nvl h TYR 73 N 0.73 -0.65 -0.95 0.00 3.20 0.22 0.43 116.97 119.96 1nvl h TYR 73 Ca 0.58 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.46 1nvl h TYR 73 Cb 0.96 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 39.41 1nvl h TYR 73 CO -0.00 -0.38 0.62 0.82 -1.64 0.00 0.00 178.16 177.57 1nvl h ILE 74 N -0.61 1.25 -0.01 1.81 2.04 0.97 0.36 117.51 123.32 1nvl h ILE 74 Ca -0.04 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 1nvl h ILE 74 Cb 0.51 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1nvl h ILE 74 CO 0.03 0.24 -0.30 0.44 0.00 0.00 0.00 178.15 178.56 1nvl h ASP 75 N 1.29 0.02 0.01 1.72 3.32 0.27 0.21 116.42 123.25 1nvl h ASP 75 Ca 0.35 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.33 1nvl h ASP 75 Cb -0.13 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1nvl h ASP 75 CO -0.07 0.32 -0.32 0.50 -1.72 0.00 0.00 179.24 177.94 1nvl h LYS 76 N 0.02 0.02 -0.83 3.56 1.63 0.71 0.40 116.57 122.08 1nvl h LYS 76 Ca 0.00 -0.04 0.21 0.00 -0.85 0.00 0.00 60.65 59.97 1nvl h LYS 76 Cb 0.54 0.01 -0.14 0.00 -0.60 0.00 0.00 32.23 32.04 1nvl h LYS 76 CO 0.04 1.02 0.09 0.28 -3.45 0.00 0.00 179.45 177.43 1nvl h VAL 77 N -0.95 0.29 0.49 2.00 2.07 0.09 0.43 116.25 120.66 1nvl h VAL 77 Ca -0.08 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1nvl h VAL 77 Cb 1.11 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1nvl h VAL 77 CO -0.03 0.02 -0.24 -0.08 0.02 0.00 0.00 177.57 177.27 1nvl h GLU 78 N 0.13 -0.64 -0.97 1.57 4.81 -0.56 0.32 114.58 119.24 1nvl h GLU 78 Ca 0.49 0.04 0.31 0.00 -0.13 0.00 0.00 59.36 60.07 1nvl h GLU 78 Cb 0.92 0.14 -0.17 0.00 0.63 0.00 0.00 28.75 30.27 1nvl h GLU 78 CO -0.69 -0.36 0.22 0.93 -0.73 0.00 0.00 179.01 178.38 1nvl h GLU 79 N -0.80 0.05 0.47 1.92 5.08 0.19 0.26 114.58 121.75 1nvl h GLU 79 Ca -0.07 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1nvl h GLU 79 Cb 0.57 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1nvl h GLU 79 CO 0.11 0.03 -0.23 -0.07 -1.00 0.00 0.00 179.01 177.86 1nvl h LEU 80 N 0.05 -0.54 -0.76 1.33 3.38 -0.20 -1.79 115.31 116.78 1nvl h LEU 80 Ca 0.67 -0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.70 1nvl h LEU 80 Cb 1.51 0.14 -0.14 0.00 0.09 0.00 0.00 40.66 42.26 1nvl h LEU 80 CO -0.83 -0.14 -0.30 0.50 0.09 0.00 0.00 178.44 177.76 1nvl h LYS 81 N -1.03 -0.07 -1.00 1.13 3.64 0.26 0.95 116.57 120.46 1nvl h LYS 81 Ca -0.06 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.52 1nvl h LYS 81 Cb 0.58 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.31 1nvl h LYS 81 CO 0.11 -0.04 0.62 0.87 -2.27 0.00 0.00 179.45 178.73 1nvl h LYS 82 N -0.07 0.66 0.15 1.90 1.79 -0.56 0.23 116.57 120.67 1nvl h LYS 82 Ca 0.31 -0.04 -0.20 0.00 -2.18 0.00 0.00 60.65 58.54 1nvl h LYS 82 Cb 0.58 -0.15 0.02 0.00 -1.58 0.00 0.00 32.23 31.10 1nvl h LYS 82 CO -0.81 0.44 -0.91 0.87 -1.08 0.00 0.00 179.45 177.96 1nvl h LYS 83 N 0.68 0.32 0.00 3.15 1.57 0.16 -3.42 116.57 119.02 1nvl h LYS 83 Ca 0.57 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1nvl h LYS 83 Cb 1.01 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1nvl h LYS 83 CO -0.35 1.26 -0.97 0.66 -0.57 0.00 0.00 179.45 179.47 1nvl n TYR 84 N -4.08 0.00 0.00 -1.35 4.01 0.14 -5.05 117.16 110.83 1nvl n TYR 84 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1nvl n TYR 84 Cb 0.85 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.77 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 1.63 3.65 0.00 2.72 0.00 0.79 -4.82 105.19 109.17 1nvl n GLY 85 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83