#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n ARG 2 N 0.00 1.34 -3.73 1.43 1.74 -1.26 -4.83 116.66 111.34 3i20 n ARG 2 Ca 0.00 -1.99 -0.21 0.00 -0.77 0.00 0.00 57.85 54.87 3i20 n ARG 2 Cb 0.00 -3.22 -0.18 0.00 -1.02 0.00 0.00 32.46 28.04 3i20 n ARG 2 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i20 s VAL 3 N 7.95 0.17 -0.08 1.55 1.01 -1.26 -3.93 120.40 125.81 3i20 s VAL 3 Ca 0.64 0.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.57 3i20 s VAL 3 Cb 0.08 -0.36 -0.06 0.00 0.00 0.00 0.00 36.38 36.04 3i20 s VAL 3 CO 0.15 0.22 1.82 0.00 0.00 0.00 0.00 175.10 177.30 3i20 h GLN 5 N 10.84 0.00 0.01 0.00 4.20 -1.85 0.90 115.11 129.22 3i20 h GLN 5 Ca -0.42 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 57.91 3i20 h GLN 5 Cb 1.20 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.92 3i20 h GLN 5 CO 0.96 0.11 -2.37 1.55 -0.67 0.00 0.00 178.83 178.40 3i20 n VAL 6 N -3.74 1.51 -0.05 -0.54 3.14 -1.26 -4.57 118.33 112.82 3i20 n VAL 6 Ca -0.02 -0.65 0.01 0.00 -2.96 0.00 0.00 64.34 60.72 3i20 n VAL 6 Cb 0.21 -1.23 -0.16 0.00 -1.06 0.00 0.00 33.84 31.61 3i20 n VAL 6 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3i20 n THR 7 N -3.16 0.71 -0.89 1.55 -2.24 -1.17 -4.98 114.28 104.10 3i20 n THR 7 Ca -0.40 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 3i20 n THR 7 Cb 1.04 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 3i20 n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i20 n GLY 8 N 1.49 0.69 3.67 3.38 0.00 0.31 -4.98 105.19 109.75 3i20 n GLY 8 Ca -0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.39 3i20 n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i20 n LYS 9 N -2.58 2.44 -4.76 1.61 5.02 -1.25 -4.62 118.16 114.03 3i20 n LYS 9 Ca 0.00 0.89 -0.33 0.00 -2.02 0.00 0.00 58.31 56.85 3i20 n LYS 9 Cb 0.00 -2.80 -0.08 0.00 -0.02 0.00 0.00 35.03 32.13 3i20 n LYS 9 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3i20 s ARG 10 N 4.32 2.19 0.25 1.97 1.70 -1.26 -1.04 118.95 127.08 3i20 s ARG 10 Ca 0.92 -2.41 -0.27 0.00 -0.47 0.00 0.00 55.73 53.50 3i20 s ARG 10 Cb -0.59 -1.49 -0.09 0.00 -0.57 0.00 0.00 34.95 32.21 3i20 s ARG 10 CO 0.48 -0.38 0.89 -2.14 -1.08 0.00 0.00 175.30 173.07 3i20 s PRO 11 N -3.88 4.64 0.37 3.89 0.02 -1.25 -4.55 135.00 134.24 3i20 s PRO 11 Ca 0.05 1.30 0.08 0.00 0.02 0.00 0.00 61.00 62.46 3i20 s PRO 11 Cb 0.01 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.43 3i20 s PRO 11 CO 0.03 0.43 0.19 0.14 -0.33 0.00 0.00 177.00 177.46 3i20 s VAL 12 N -1.36 2.78 0.07 3.83 -7.23 0.17 -4.97 120.40 113.69 3i20 s VAL 12 Ca 0.43 -1.64 0.07 0.00 -1.81 0.00 0.00 61.98 59.03 3i20 s VAL 12 Cb -0.22 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.69 3i20 s VAL 12 CO 0.27 -0.11 -0.12 0.42 -0.31 0.00 0.00 175.10 175.25 3i20 s THR 13 N -2.48 3.23 0.02 5.32 -4.23 -1.26 -1.37 115.64 114.88 3i20 s THR 13 Ca 0.40 -1.19 -0.02 0.00 -1.18 0.00 0.00 61.69 59.71 3i20 s THR 13 Cb -0.01 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.38 3i20 s THR 13 CO 0.23 0.21 0.08 0.61 -0.54 0.00 0.00 174.62 175.21 3i20 n GLY 14 N 1.06 1.57 3.80 3.99 0.00 -1.15 -4.91 105.19 109.53 3i20 n GLY 14 Ca -0.15 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 3i20 n GLY 14 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i20 s ASN 15 N -1.19 4.63 -0.15 1.61 0.01 -1.26 0.30 114.94 118.89 3i20 s ASN 15 Ca 0.02 -1.00 0.09 0.00 -0.71 0.00 0.00 52.86 51.25 3i20 s ASN 15 Cb -0.00 -0.41 -0.15 0.00 0.41 0.00 0.00 41.25 41.10 3i20 s ASN 15 CO 0.01 -0.64 -0.01 0.59 -1.51 0.00 0.00 177.10 175.54 3i20 n ASN 16 N -1.39 1.93 -3.06 -1.22 3.02 -0.97 -4.77 115.26 108.80 3i20 n ASN 16 Ca 0.00 -0.03 -0.03 0.00 -0.03 0.00 0.00 54.58 54.49 3i20 n ASN 16 Cb 0.64 0.50 0.00 0.00 -0.61 0.00 0.00 39.78 40.31 3i20 n ASN 16 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i20 n ARG 17 N -2.66 -1.40 0.00 3.52 5.12 -1.09 -4.94 116.66 115.21 3i20 n ARG 17 Ca -0.25 1.46 0.00 0.00 -1.93 0.00 0.00 57.85 57.13 3i20 n ARG 17 Cb 0.91 -2.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.71 3i20 n ARG 17 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3i20 n SER 18 N 0.97 -1.20 0.02 0.55 3.41 -1.20 -4.72 113.62 111.45 3i20 n SER 18 Ca -0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3i20 n SER 18 Cb 0.36 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.22 3i20 n SER 18 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3i20 h HIS 19 N -1.59 -0.06 0.00 7.33 3.86 -1.95 -2.54 115.15 120.20 3i20 h HIS 19 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3i20 h HIS 19 Cb 0.00 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3i20 h HIS 19 CO 0.00 0.31 0.53 0.00 0.86 0.00 0.00 177.93 179.63 3i20 n ALA 20 N -2.31 0.30 -1.88 2.45 0.00 -1.26 -4.70 120.51 113.10 3i20 n ALA 20 Ca -0.08 0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 3i20 n ALA 20 Cb 0.21 -0.39 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 3i20 n ALA 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i20 n LEU 21 N -1.91 -1.06 -4.57 0.00 4.77 -0.96 -5.00 117.00 108.28 3i20 n LEU 21 Ca -0.00 0.03 -0.43 0.00 -0.03 0.00 0.00 56.01 55.58 3i20 n LEU 21 Cb 0.54 -1.16 -0.04 0.00 -2.33 0.00 0.00 43.42 40.43 3i20 n LEU 21 CO 0.03 -0.12 0.79 0.20 -1.33 0.00 0.00 177.39 176.97 3i20 s ASN 22 N -2.79 6.52 0.11 -1.43 0.01 -1.26 -4.68 114.94 111.41 3i20 s ASN 22 Ca 0.00 0.17 -0.31 0.00 -0.71 0.00 0.00 52.86 52.01 3i20 s ASN 22 Cb 0.00 -2.47 -0.09 0.00 0.41 0.00 0.00 41.25 39.10 3i20 s ASN 22 CO 0.00 -1.08 1.67 0.00 -1.51 0.00 0.00 177.10 176.18 3i20 s ALA 23 N 3.87 3.73 -0.13 0.60 0.00 -1.26 -2.67 121.76 125.90 3i20 s ALA 23 Ca 0.39 1.31 -0.01 0.00 0.00 0.00 0.00 51.96 53.65 3i20 s ALA 23 Cb -0.10 -3.69 0.03 0.00 0.00 0.00 0.00 23.12 19.37 3i20 s ALA 23 CO 0.27 -1.05 -0.04 0.95 0.00 0.00 0.00 175.76 175.89 3i20 s THR 24 N 2.25 0.88 0.21 0.00 -4.23 -1.26 -4.86 115.64 108.63 3i20 s THR 24 Ca 0.74 -0.35 -0.31 0.00 -1.18 0.00 0.00 61.69 60.60 3i20 s THR 24 Cb -0.42 -1.02 -0.15 0.00 1.34 0.00 0.00 72.50 72.24 3i20 s THR 24 CO 0.33 0.21 1.02 0.29 -0.54 0.00 0.00 174.62 175.92 3i20 n LYS 25 N 4.97 1.03 0.00 3.99 4.76 -1.26 -2.28 118.16 129.38 3i20 n LYS 25 Ca -0.11 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 3i20 n LYS 25 Cb 0.49 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 3i20 n LYS 25 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3i20 n ARG 26 N 1.27 0.00 -3.79 1.97 -4.01 0.86 -4.89 116.66 108.07 3i20 n ARG 26 Ca 0.14 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.82 3i20 n ARG 26 Cb 0.27 0.00 -0.11 0.00 -3.04 0.00 0.00 32.46 29.58 3i20 n ARG 26 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 3i20 s ARG 27 N 1.19 0.42 -0.09 2.89 0.52 -1.26 -2.96 118.95 119.67 3i20 s ARG 27 Ca 0.00 0.15 -0.03 0.00 -0.52 0.00 0.00 55.73 55.33 3i20 s ARG 27 Cb 0.00 0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.63 3i20 s ARG 27 CO 0.00 -0.08 0.04 -0.06 0.02 0.00 0.00 175.30 175.22 3i20 s PHE 28 N -0.38 3.27 0.02 -0.53 0.40 -0.47 -4.94 117.98 115.35 3i20 s PHE 28 Ca -0.05 0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.56 3i20 s PHE 28 Cb -0.03 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.66 3i20 s PHE 28 CO 0.01 0.54 -0.03 -0.48 0.70 0.00 0.00 175.22 175.96 3i20 s LEU 29 N -0.99 2.20 1.01 -0.37 2.34 -1.26 -0.65 118.68 120.96 3i20 s LEU 29 Ca 0.14 -0.42 -0.12 0.00 0.06 0.00 0.00 54.13 53.79 3i20 s LEU 29 Cb -0.12 0.05 0.19 0.00 -0.56 0.00 0.00 46.19 45.76 3i20 s LEU 29 CO 0.04 -0.24 1.08 -2.84 -1.06 0.00 0.00 176.35 173.33 3i20 s PRO 30 N -1.22 0.34 -0.86 1.48 0.02 -1.26 -4.94 135.00 128.56 3i20 s PRO 30 Ca -0.13 0.81 -0.14 0.00 0.02 0.00 0.00 61.00 61.57 3i20 s PRO 30 Cb -0.08 -1.70 0.23 0.00 0.02 0.00 0.00 34.50 32.96 3i20 s PRO 30 CO -0.01 -2.87 0.80 1.21 -0.33 0.00 0.00 177.00 175.81 3i20 s ASN 31 N -3.09 6.82 0.17 2.53 3.84 -1.26 -5.04 114.94 118.91 3i20 s ASN 31 Ca 0.66 -2.78 0.02 0.00 0.21 0.00 0.00 52.86 50.97 3i20 s ASN 31 Cb -0.21 -2.21 -0.04 0.00 -0.55 0.00 0.00 41.25 38.25 3i20 s ASN 31 CO 0.59 -0.55 0.32 -0.76 -2.79 0.00 0.00 177.10 173.92 3i20 s LEU 32 N 0.03 4.31 0.00 3.21 1.02 -1.26 -1.22 118.68 124.76 3i20 s LEU 32 Ca 0.19 0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.57 3i20 s LEU 32 Cb -0.10 -2.98 0.00 0.00 0.02 0.00 0.00 46.19 43.13 3i20 s LEU 32 CO -0.09 0.02 0.00 1.41 0.02 0.00 0.00 176.35 177.71 3i20 n HIS 33 N -0.62 0.00 -2.17 0.29 8.25 0.29 -4.90 115.22 116.36 3i20 n HIS 33 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3i20 n HIS 33 Cb 0.54 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.67 3i20 n HIS 33 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3i20 n SER 34 N 0.00 -4.46 -4.49 0.41 3.41 -1.25 -4.82 113.62 102.43 3i20 n SER 34 Ca 0.00 0.75 -0.30 0.00 -0.26 0.00 0.00 58.87 59.06 3i20 n SER 34 Cb 0.24 -1.18 -0.11 0.00 -0.26 0.00 0.00 64.21 62.90 3i20 n SER 34 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3i20 s HIS 35 N 0.00 2.56 -0.47 7.33 2.46 0.49 -4.89 115.29 122.77 3i20 s HIS 35 Ca 0.00 -0.25 -0.20 0.00 0.47 0.00 0.00 55.06 55.08 3i20 s HIS 35 Cb 0.00 -1.37 0.04 0.00 -0.13 0.00 0.00 32.58 31.12 3i20 s HIS 35 CO 0.00 0.37 0.63 0.50 -2.47 0.00 0.00 174.74 173.77 3i20 s ARG 36 N -2.06 3.19 -0.06 2.88 3.52 -1.26 -2.23 118.95 122.93 3i20 s ARG 36 Ca 0.18 -0.64 -0.12 0.00 -0.13 0.00 0.00 55.73 55.02 3i20 s ARG 36 Cb -0.11 -4.02 -0.05 0.00 -1.56 0.00 0.00 34.95 29.21 3i20 s ARG 36 CO 0.10 -1.11 0.30 -0.06 -0.81 0.00 0.00 175.30 173.72 3i20 s PHE 37 N 2.72 3.66 0.14 5.12 0.08 0.02 -4.96 117.98 124.76 3i20 s PHE 37 Ca 0.19 0.79 -0.18 0.00 0.12 0.00 0.00 56.93 57.85 3i20 s PHE 37 Cb -0.17 -2.16 -0.07 0.00 -0.57 0.00 0.00 43.02 40.05 3i20 s PHE 37 CO 0.15 0.65 0.61 -0.46 -0.10 0.00 0.00 175.22 176.07 3i20 s TRP 38 N -0.95 3.71 -0.13 0.36 -0.11 -1.26 -1.73 118.94 118.83 3i20 s TRP 38 Ca 0.20 1.24 -0.02 0.00 1.22 0.00 0.00 56.10 58.74 3i20 s TRP 38 Cb -0.15 -2.49 -0.07 0.00 -1.50 0.00 0.00 33.47 29.26 3i20 s TRP 38 CO 0.09 0.47 -0.13 1.33 -4.62 0.00 0.00 176.95 174.09 3i20 n VAL 39 N 1.15 0.70 0.00 5.86 0.24 -1.04 -4.96 118.33 120.29 3i20 n VAL 39 Ca -0.06 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 3i20 n VAL 39 Cb 0.51 -1.24 0.00 0.00 -1.47 0.00 0.00 33.84 31.64 3i20 n VAL 39 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i20 n GLU 40 N -3.16 0.00 0.08 7.34 2.13 -1.26 -4.30 120.64 121.47 3i20 n GLU 40 Ca -0.23 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.67 3i20 n GLU 40 Cb 0.71 -0.30 0.37 0.00 0.27 0.00 0.00 31.44 32.50 3i20 n GLU 40 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3i20 n SER 41 N 0.54 0.34 0.00 4.31 2.88 -1.26 -2.54 113.62 117.89 3i20 n SER 41 Ca 0.00 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 3i20 n SER 41 Cb 0.00 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 3i20 n SER 41 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3i20 n GLU 42 N -1.91 0.22 -3.65 -1.46 1.02 -1.26 -5.04 120.64 108.56 3i20 n GLU 42 Ca 0.01 -0.41 -0.29 0.00 -0.02 0.00 0.00 57.16 56.45 3i20 n GLU 42 Cb 0.13 -0.61 0.01 0.00 -0.02 0.00 0.00 31.44 30.96 3i20 n GLU 42 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i20 n LYS 43 N -0.05 -1.63 -3.60 3.49 4.01 -1.05 -4.95 118.16 114.38 3i20 n LYS 43 Ca 0.00 0.94 -0.03 0.00 -0.51 0.00 0.00 58.31 58.71 3i20 n LYS 43 Cb 0.32 -2.06 -0.02 0.00 -0.51 0.00 0.00 35.03 32.76 3i20 n LYS 43 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 3i20 s ARG 44 N -4.01 0.35 -0.66 1.97 3.52 -1.26 -4.94 118.95 113.93 3i20 s ARG 44 Ca 0.13 -0.15 -0.11 0.00 -0.13 0.00 0.00 55.73 55.47 3i20 s ARG 44 Cb -0.01 0.15 0.17 0.00 -1.56 0.00 0.00 34.95 33.70 3i20 s ARG 44 CO 0.86 -0.16 0.56 -0.06 -0.81 0.00 0.00 175.30 175.69 3i20 s PHE 45 N -2.45 3.53 -0.14 5.12 2.99 -1.26 -2.49 117.98 123.28 3i20 s PHE 45 Ca 0.10 -2.03 -0.29 0.00 0.00 0.00 0.00 56.93 54.71 3i20 s PHE 45 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 43.02 39.41 3i20 s PHE 45 CO -0.04 -0.96 1.08 0.14 -0.00 0.00 0.00 175.22 175.43 3i20 s VAL 46 N 0.60 4.60 -0.83 -0.44 -7.23 -0.70 -4.79 120.40 111.61 3i20 s VAL 46 Ca 0.13 1.90 0.01 0.00 -1.81 0.00 0.00 61.98 62.21 3i20 s VAL 46 Cb -0.19 -4.22 0.20 0.00 0.56 0.00 0.00 36.38 32.73 3i20 s VAL 46 CO -0.04 -0.07 0.68 1.07 -0.31 0.00 0.00 175.10 176.43 3i20 n THR 47 N 4.89 2.51 -1.56 5.32 5.66 -1.26 -0.80 114.28 129.04 3i20 n THR 47 Ca 0.11 -5.03 -0.31 0.00 -3.05 0.00 0.00 64.05 55.76 3i20 n THR 47 Cb 0.47 -2.30 0.06 0.00 -1.55 0.00 0.00 70.33 67.00 3i20 n THR 47 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3i20 s LEU 48 N -1.45 3.18 -0.55 1.09 1.43 -0.95 -4.72 118.68 116.73 3i20 s LEU 48 Ca 0.27 1.76 -0.18 0.00 -1.03 0.00 0.00 54.13 54.95 3i20 s LEU 48 Cb -0.06 -4.52 0.09 0.00 0.03 0.00 0.00 46.19 41.74 3i20 s LEU 48 CO -0.14 -1.62 0.60 -0.60 0.23 0.00 0.00 176.35 174.82 3i20 s ARG 49 N -4.75 3.04 0.13 1.70 3.52 -1.26 -0.38 118.95 120.95 3i20 s ARG 49 Ca 0.61 -1.30 0.11 0.00 -0.13 0.00 0.00 55.73 55.01 3i20 s ARG 49 Cb -0.16 -4.22 -0.04 0.00 -1.56 0.00 0.00 34.95 28.97 3i20 s ARG 49 CO 0.51 -1.36 -0.26 0.08 -0.81 0.00 0.00 175.30 173.46 3i20 s VAL 50 N 2.32 2.20 -0.10 7.11 1.01 -1.26 -2.58 120.40 129.09 3i20 s VAL 50 Ca 0.10 -1.74 -0.16 0.00 0.00 0.00 0.00 61.98 60.18 3i20 s VAL 50 Cb -0.24 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 3i20 s VAL 50 CO 0.07 0.08 0.40 -0.94 0.00 0.00 0.00 175.10 174.70 3i20 s SER 51 N -2.04 6.63 0.51 3.32 1.04 -1.25 0.10 113.70 122.01 3i20 s SER 51 Ca 0.13 0.74 -0.20 0.00 0.48 0.00 0.00 55.95 57.11 3i20 s SER 51 Cb -0.10 -2.24 -0.10 0.00 0.10 0.00 0.00 66.02 63.68 3i20 s SER 51 CO 0.06 0.11 0.56 0.00 0.98 0.00 0.00 173.24 174.95 3i20 n ALA 52 N 3.19 -1.17 0.00 5.32 0.00 -0.36 0.24 120.51 127.72 3i20 n ALA 52 Ca -0.10 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3i20 n ALA 52 Cb 0.52 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3i20 n ALA 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i20 n LYS 53 N 0.21 0.00 0.03 0.00 0.00 -1.26 -4.61 118.16 112.52 3i20 n LYS 53 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.32 3i20 n LYS 53 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.43 3i20 n LYS 53 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 3i20 h GLY 54 N 0.00 -0.21 0.47 3.14 0.00 0.26 0.15 103.07 106.88 3i20 h GLY 54 Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.60 3i20 h GLY 54 CO 0.00 -0.18 -0.18 -0.33 0.00 0.00 0.00 176.54 175.85 3i20 h MET 55 N -0.28 -0.25 -0.96 4.80 2.86 -1.70 0.41 114.93 119.80 3i20 h MET 55 Ca 0.08 0.02 0.26 0.00 -2.06 0.00 0.00 59.70 58.00 3i20 h MET 55 Cb 0.39 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.05 3i20 h MET 55 CO -0.23 -0.16 0.67 0.00 1.06 0.00 0.00 176.91 178.25 3i20 h ARG 56 N -0.26 0.13 -0.06 1.72 3.08 -1.75 0.14 114.38 117.39 3i20 h ARG 56 Ca 0.08 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3i20 h ARG 56 Cb 0.37 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3i20 h ARG 56 CO -0.23 0.08 -0.13 0.28 -1.07 0.00 0.00 179.97 178.90 3i20 h VAL 57 N 0.13 1.43 -0.74 2.04 2.07 0.26 -2.50 116.25 118.94 3i20 h VAL 57 Ca 0.48 -1.48 0.10 0.00 0.82 0.00 0.00 66.70 66.63 3i20 h VAL 57 Cb 1.67 2.26 -0.08 0.00 -1.52 0.00 0.00 31.29 33.62 3i20 h VAL 57 CO -0.08 0.41 0.37 0.40 0.02 0.00 0.00 177.57 178.69 3i20 h ILE 58 N -0.31 0.82 -0.05 4.57 5.03 0.21 0.31 117.51 128.09 3i20 h ILE 58 Ca -0.00 -0.21 0.01 0.00 -0.12 0.00 0.00 64.86 64.55 3i20 h ILE 58 Cb 0.73 0.16 -0.00 0.00 -3.03 0.00 0.00 36.82 34.68 3i20 h ILE 58 CO 0.03 0.11 0.09 0.44 -0.68 0.00 0.00 178.15 178.14 3i20 h ASP 59 N 0.61 0.00 0.00 1.72 5.19 -0.56 0.18 116.42 123.55 3i20 h ASP 59 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 3i20 h ASP 59 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 3i20 h ASP 59 CO -0.29 0.00 -0.66 1.17 -3.12 0.00 0.00 179.24 176.34 3i20 n LYS 60 N -3.48 0.35 0.24 3.56 4.81 -0.27 -4.68 118.16 118.69 3i20 n LYS 60 Ca -0.02 0.14 0.07 0.00 -0.87 0.00 0.00 58.31 57.64 3i20 n LYS 60 Cb 0.18 -1.10 0.60 0.00 0.02 0.00 0.00 35.03 34.73 3i20 n LYS 60 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3i20 h LYS 61 N -0.66 0.03 0.00 1.64 1.57 -0.49 -3.49 116.57 115.18 3i20 h LYS 61 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i20 h LYS 61 Cb 0.66 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3i20 h LYS 61 CO 0.00 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.34 3i20 n GLY 62 N -1.45 -0.23 0.37 3.86 0.00 0.62 -4.53 105.19 103.83 3i20 n GLY 62 Ca -0.03 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3i20 n GLY 62 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i20 h ILE 63 N 0.00 1.18 -0.47 -0.61 2.04 -1.94 0.27 117.51 117.99 3i20 h ILE 63 Ca 0.00 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.49 3i20 h ILE 63 Cb 0.00 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 35.95 3i20 h ILE 63 CO 0.00 0.22 0.32 0.44 0.00 0.00 0.00 178.15 179.12 3i20 h ASP 64 N 1.19 0.44 0.12 1.72 3.32 -1.94 0.62 116.42 121.89 3i20 h ASP 64 Ca 0.36 -0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.19 3i20 h ASP 64 Cb -0.03 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 39.44 3i20 h ASP 64 CO -0.10 0.30 -0.92 0.74 -1.72 0.00 0.00 179.24 177.54 3i20 h THR 65 N 0.51 1.42 -0.48 0.35 2.02 -0.75 -1.09 112.91 114.89 3i20 h THR 65 Ca 0.19 -2.43 -0.06 0.00 0.77 0.00 0.00 66.41 64.88 3i20 h THR 65 Cb 0.13 2.94 -0.02 0.00 -1.74 0.00 0.00 68.15 69.46 3i20 h THR 65 CO -0.05 0.71 0.04 0.58 0.37 0.00 0.00 175.52 177.17 3i20 h VAL 66 N -0.12 1.23 0.00 3.16 2.07 -0.47 0.38 116.25 122.49 3i20 h VAL 66 Ca -0.15 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.46 3i20 h VAL 66 Cb 1.68 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3i20 h VAL 66 CO 0.18 0.33 0.00 0.18 0.02 0.00 0.00 177.57 178.27 3i20 n LEU 67 N -4.24 0.63 -0.05 2.57 4.77 0.21 -2.67 117.00 118.22 3i20 n LEU 67 Ca 0.03 0.61 -0.13 0.00 -0.03 0.00 0.00 56.01 56.49 3i20 n LEU 67 Cb 0.27 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.80 3i20 n LEU 67 CO 0.41 -0.38 0.62 0.00 -1.33 0.00 0.00 177.39 176.71 3i20 h ALA 68 N 2.41 0.17 -3.07 -1.18 0.00 0.43 -3.28 119.26 114.74 3i20 h ALA 68 Ca 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 3i20 h ALA 68 Cb 0.49 -0.04 0.11 0.00 0.00 0.00 0.00 17.79 18.35 3i20 h ALA 68 CO 0.00 0.00 -0.03 0.39 0.00 0.00 0.00 179.25 179.62 3i20 n GLU 69 N -4.64 -2.96 0.00 0.00 1.02 -0.99 -1.51 120.64 111.57 3i20 n GLU 69 Ca -0.06 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.25 3i20 n GLU 69 Cb 0.32 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 3i20 n GLU 69 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i20 n LEU 70 N 0.00 0.00 -0.11 -4.62 4.77 -1.26 -3.80 117.00 111.97 3i20 n LEU 70 Ca 0.08 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.01 3i20 n LEU 70 Cb 0.31 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.42 3i20 n LEU 70 CO 0.21 0.00 0.82 -0.09 -1.33 0.00 0.00 177.39 177.00 3i20 h ARG 71 N 0.00 0.05 -0.00 3.23 9.65 -1.62 1.45 114.38 127.15 3i20 h ARG 71 Ca 0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3i20 h ARG 71 Cb 0.00 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 3i20 h ARG 71 CO 0.00 0.04 -0.03 0.00 2.80 0.00 0.00 179.97 182.78 3i20 n ALA 72 N -2.60 2.42 -0.04 2.80 0.00 -0.57 -3.30 120.51 119.22 3i20 n ALA 72 Ca 0.02 -0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.36 3i20 n ALA 72 Cb 0.21 -1.45 -0.15 0.00 0.00 0.00 0.00 19.45 18.05 3i20 n ALA 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i20 n ARG 73 N -1.46 0.74 0.00 0.00 0.63 -0.43 -5.01 116.66 111.13 3i20 n ARG 73 Ca 0.08 -0.11 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 3i20 n ARG 73 Cb 0.32 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.75 3i20 n ARG 73 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i20 n GLY 74 N 1.55 1.16 3.54 5.14 0.00 0.46 -4.95 105.19 112.10 3i20 n GLY 74 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3i20 n GLY 74 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i20 n GLU 75 N 0.00 -0.07 0.00 1.61 1.02 0.91 -4.88 120.64 119.23 3i20 n GLU 75 Ca 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3i20 n GLU 75 Cb 0.00 -2.10 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 3i20 n GLU 75 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3i20 n LYS 76 N -2.38 0.00 -0.17 3.49 2.85 -1.26 -4.27 118.16 116.42 3i20 n LYS 76 Ca 0.10 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 3i20 n LYS 76 Cb 0.52 -0.80 0.00 0.00 -0.65 0.00 0.00 35.03 34.09 3i20 n LYS 76 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83