#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2de6 s TRP 5 N 0.00 2.53 -0.25 4.28 0.52 -1.26 -3.59 118.94 121.17 2de6 s TRP 5 Ca 0.00 1.48 -0.08 0.00 0.02 0.00 0.00 56.10 57.52 2de6 s TRP 5 Cb 0.00 -3.54 -0.03 0.00 -1.15 0.00 0.00 33.47 28.75 2de6 s TRP 5 CO 0.00 -2.16 0.10 -0.51 0.02 0.00 0.00 176.95 174.40 2de6 s LEU 6 N -3.54 3.62 -0.49 2.99 1.43 -0.11 -4.91 118.68 117.67 2de6 s LEU 6 Ca 0.71 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.39 2de6 s LEU 6 Cb -0.33 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 43.94 2de6 s LEU 6 CO 0.38 -0.02 1.32 -0.75 0.23 0.00 0.00 176.35 177.51 2de6 s LYS 7 N 1.54 3.53 -0.13 1.70 2.20 -1.26 -1.10 119.74 126.22 2de6 s LYS 7 Ca 0.06 0.64 -0.10 0.00 -0.36 0.00 0.00 55.97 56.21 2de6 s LYS 7 Cb -0.15 -4.02 -0.08 0.00 -1.51 0.00 0.00 37.83 32.06 2de6 s LYS 7 CO 0.05 -1.64 0.16 0.28 -0.36 0.00 0.00 175.35 173.84 2de6 h VAL 8 N 6.36 0.49 -2.28 4.02 2.07 -1.03 -3.49 116.25 122.39 2de6 h VAL 8 Ca -0.26 -1.41 0.23 0.00 0.82 0.00 0.00 66.70 66.09 2de6 h VAL 8 Cb 1.09 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 2de6 h VAL 8 CO 1.13 0.17 0.69 0.00 0.02 0.00 0.00 177.57 179.58 2de6 s ALA 10 N -2.26 3.32 0.31 0.00 0.00 -1.26 -0.10 121.76 121.78 2de6 s ALA 10 Ca 0.22 0.56 0.05 0.00 0.00 0.00 0.00 51.96 52.79 2de6 s ALA 10 Cb -0.01 -3.17 0.68 0.00 0.00 0.00 0.00 23.12 20.62 2de6 s ALA 10 CO 0.02 0.21 1.83 0.00 0.00 0.00 0.00 175.76 177.83 2de6 h ALA 11 N 3.92 1.65 0.00 0.00 0.00 -1.26 0.74 119.26 124.31 2de6 h ALA 11 Ca -0.46 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2de6 h ALA 11 Cb 1.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2de6 h ALA 11 CO 0.67 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.86 2de6 n SER 12 N -4.63 0.00 0.01 0.00 3.41 -1.26 -2.29 113.62 108.85 2de6 n SER 12 Ca 0.19 0.41 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 2de6 n SER 12 Cb 0.44 -0.45 0.48 0.00 -0.26 0.00 0.00 64.21 64.41 2de6 n SER 12 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2de6 n ASP 13 N -1.45 0.04 -4.18 4.04 8.00 0.25 -4.65 116.55 118.61 2de6 n ASP 13 Ca 0.04 0.51 -0.32 0.00 0.71 0.00 0.00 54.79 55.73 2de6 n ASP 13 Cb 0.15 -0.52 -0.17 0.00 -0.02 0.00 0.00 41.12 40.57 2de6 n ASP 13 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2de6 s MET 14 N -3.01 2.96 0.49 -1.24 -1.94 -0.97 -5.04 119.30 110.54 2de6 s MET 14 Ca 0.11 -0.84 -0.18 0.00 -1.71 0.00 0.00 55.69 53.07 2de6 s MET 14 Cb 0.14 -2.34 -0.09 0.00 2.01 0.00 0.00 34.83 34.55 2de6 s MET 14 CO 0.41 0.04 0.97 -0.65 -0.01 0.00 0.00 175.02 175.79 2de6 s GLN 15 N 0.68 4.04 0.42 2.03 -1.52 -1.26 -4.98 119.66 119.07 2de6 s GLN 15 Ca -0.11 1.01 -0.25 0.00 -1.95 0.00 0.00 55.36 54.06 2de6 s GLN 15 Cb -0.16 -2.15 -0.10 0.00 -0.22 0.00 0.00 33.01 30.38 2de6 s GLN 15 CO 0.01 -0.19 1.15 -2.30 -0.25 0.00 0.00 175.29 173.72 2de6 n PRO 16 N -1.26 1.66 -1.34 2.91 -0.02 -1.26 -2.49 135.00 133.19 2de6 n PRO 16 Ca 0.07 0.59 -0.07 0.00 -2.02 0.00 0.00 63.50 62.06 2de6 n PRO 16 Cb 0.54 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 2de6 n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2de6 n GLY 17 N 0.98 0.83 3.69 -1.23 0.00 0.12 -4.92 105.19 104.67 2de6 n GLY 17 Ca 0.08 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 2de6 n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2de6 s THR 18 N -2.29 2.78 -0.01 2.61 -4.23 -1.04 -4.77 115.64 108.69 2de6 s THR 18 Ca 0.00 -1.80 0.04 0.00 -1.18 0.00 0.00 61.69 58.75 2de6 s THR 18 Cb 0.00 -2.91 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 2de6 s THR 18 CO 0.00 -0.17 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.15 2de6 s ILE 19 N -2.48 1.09 -0.10 2.99 1.01 -1.26 -1.65 121.20 120.80 2de6 s ILE 19 Ca 0.37 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.43 2de6 s ILE 19 Cb -0.01 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.56 2de6 s ILE 19 CO 0.21 0.29 -0.16 -0.60 0.00 0.00 0.00 174.94 174.69 2de6 s ARG 20 N -0.36 2.20 0.08 2.79 3.52 0.03 -4.97 118.95 122.24 2de6 s ARG 20 Ca 0.05 -0.57 -0.25 0.00 -0.13 0.00 0.00 55.73 54.84 2de6 s ARG 20 Cb -0.05 -1.82 -0.06 0.00 -1.56 0.00 0.00 34.95 31.45 2de6 s ARG 20 CO -0.00 -0.00 0.77 0.50 -0.81 0.00 0.00 175.30 175.75 2de6 s ARG 21 N 0.81 4.51 -0.27 5.12 3.52 -1.26 -0.76 118.95 130.63 2de6 s ARG 21 Ca -0.10 1.09 0.01 0.00 -0.13 0.00 0.00 55.73 56.59 2de6 s ARG 21 Cb -0.16 -3.33 0.05 0.00 -1.56 0.00 0.00 34.95 29.96 2de6 s ARG 21 CO 0.01 0.38 -0.07 0.08 -0.81 0.00 0.00 175.30 174.89 2de6 s VAL 22 N -0.41 2.51 0.14 7.11 1.01 0.76 -4.97 120.40 126.55 2de6 s VAL 22 Ca 0.38 -1.44 -0.25 0.00 0.00 0.00 0.00 61.98 60.66 2de6 s VAL 22 Cb -0.21 -2.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.67 2de6 s VAL 22 CO 0.24 0.00 0.78 0.20 0.00 0.00 0.00 175.10 176.33 2de6 s ASN 23 N 1.19 7.37 -0.22 3.32 0.01 -1.26 -0.76 114.94 124.59 2de6 s ASN 23 Ca -0.06 1.62 -0.01 0.00 -0.71 0.00 0.00 52.86 53.70 2de6 s ASN 23 Cb -0.19 -2.50 0.06 0.00 0.41 0.00 0.00 41.25 39.03 2de6 s ASN 23 CO -0.04 0.17 -0.00 -0.13 -1.51 0.00 0.00 177.10 175.58 2de6 s ARG 24 N -0.91 1.11 0.21 -0.60 0.52 -1.26 -4.98 118.95 113.03 2de6 s ARG 24 Ca 0.37 -0.70 -0.32 0.00 -0.52 0.00 0.00 55.73 54.55 2de6 s ARG 24 Cb -0.23 -2.34 -0.14 0.00 0.52 0.00 0.00 34.95 32.76 2de6 s ARG 24 CO 0.26 -0.63 1.33 0.28 0.02 0.00 0.00 175.30 176.56 2de6 n VAL 25 N 4.87 0.87 -1.30 3.52 0.31 -1.26 -0.95 118.33 124.39 2de6 n VAL 25 Ca -0.10 -0.22 -0.10 0.00 -0.01 0.00 0.00 64.34 63.91 2de6 n VAL 25 Cb 0.46 -1.25 -0.04 0.00 -0.91 0.00 0.00 33.84 32.09 2de6 n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2de6 n GLY 26 N 2.17 1.14 3.57 2.92 0.00 -1.26 -4.98 105.19 108.74 2de6 n GLY 26 Ca 0.13 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 2de6 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2de6 s ALA 27 N -2.37 -1.12 0.37 4.61 0.00 -0.12 -5.15 121.76 117.97 2de6 s ALA 27 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 51.96 51.60 2de6 s ALA 27 Cb 0.00 0.86 -0.09 0.00 0.00 0.00 0.00 23.12 23.89 2de6 s ALA 27 CO 0.00 -0.84 1.11 0.00 0.00 0.00 0.00 175.76 176.03 2de6 s ALA 28 N -3.86 3.19 0.72 0.00 0.00 -1.26 -4.41 121.76 116.13 2de6 s ALA 28 Ca 0.08 0.87 -0.14 0.00 0.00 0.00 0.00 51.96 52.77 2de6 s ALA 28 Cb -0.02 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.80 2de6 s ALA 28 CO -0.03 -0.34 1.13 -1.25 0.00 0.00 0.00 175.76 175.26 2de6 s PRO 29 N -2.17 2.43 0.33 0.00 0.04 -1.26 -4.61 135.00 129.75 2de6 s PRO 29 Ca 0.54 1.42 0.09 0.00 0.04 0.00 0.00 61.00 63.10 2de6 s PRO 29 Cb -0.28 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 2de6 s PRO 29 CO 0.36 -1.55 0.01 -0.51 0.04 0.00 0.00 177.00 175.35 2de6 s LEU 30 N -5.27 3.02 -0.11 -3.56 1.43 0.06 -0.83 118.68 113.43 2de6 s LEU 30 Ca 0.67 -0.92 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2de6 s LEU 30 Cb -0.22 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.58 2de6 s LEU 30 CO 0.46 -0.20 -0.17 0.00 0.23 0.00 0.00 176.35 176.67 2de6 s ALA 31 N -2.48 1.79 -0.19 4.21 0.00 0.78 -0.17 121.76 125.69 2de6 s ALA 31 Ca 0.34 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 2de6 s ALA 31 Cb -0.01 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 2de6 s ALA 31 CO 0.20 0.01 -0.02 0.08 0.00 0.00 0.00 175.76 176.03 2de6 s VAL 32 N 0.81 3.77 -0.07 0.00 1.01 0.06 -1.51 120.40 124.48 2de6 s VAL 32 Ca -0.10 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2de6 s VAL 32 Cb -0.16 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 2de6 s VAL 32 CO 0.01 0.45 -0.11 -0.31 0.00 0.00 0.00 175.10 175.13 2de6 s TYR 33 N 0.91 2.81 -0.33 5.22 1.51 -0.00 -0.79 117.35 126.67 2de6 s TYR 33 Ca 0.00 -0.16 -0.06 0.00 -1.01 0.00 0.00 57.07 55.85 2de6 s TYR 33 Cb -0.14 -1.69 0.04 0.00 -0.11 0.00 0.00 41.96 40.05 2de6 s TYR 33 CO 0.01 0.18 0.09 0.50 -1.11 0.00 0.00 175.55 175.23 2de6 s ARG 34 N -0.59 2.58 -0.41 -0.62 3.52 -0.66 -1.42 118.95 121.35 2de6 s ARG 34 Ca 0.09 -1.21 -0.08 0.00 -0.13 0.00 0.00 55.73 54.40 2de6 s ARG 34 Cb -0.11 -3.42 0.08 0.00 -1.56 0.00 0.00 34.95 29.94 2de6 s ARG 34 CO 0.01 -0.67 0.24 0.08 -0.81 0.00 0.00 175.30 174.16 2de6 s VAL 35 N 1.37 4.00 0.00 7.11 1.01 0.07 0.10 120.40 134.07 2de6 s VAL 35 Ca -0.02 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.44 2de6 s VAL 35 Cb -0.20 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2de6 s VAL 35 CO 0.02 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.21 2de6 n GLY 36 N 4.85 2.73 0.50 4.51 0.00 -1.26 -1.49 105.19 115.03 2de6 n GLY 36 Ca -0.09 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 45.91 2de6 n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2de6 n ASP 37 N 9.67 2.91 -4.74 1.61 9.92 -1.26 -4.53 116.55 130.12 2de6 n ASP 37 Ca 0.00 -2.40 -0.28 0.00 -0.53 0.00 0.00 54.79 51.58 2de6 n ASP 37 Cb 0.00 -0.29 -0.07 0.00 -0.64 0.00 0.00 41.12 40.12 2de6 n ASP 37 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2de6 s GLN 38 N -1.71 2.71 0.01 -1.24 -1.52 -0.56 -5.13 119.66 112.22 2de6 s GLN 38 Ca 0.24 -0.87 0.07 0.00 -1.95 0.00 0.00 55.36 52.85 2de6 s GLN 38 Cb 0.17 -2.58 -0.02 0.00 -0.22 0.00 0.00 33.01 30.36 2de6 s GLN 38 CO 0.09 0.51 -0.21 -0.06 -0.25 0.00 0.00 175.29 175.38 2de6 s PHE 39 N -1.55 1.82 0.14 0.91 0.40 -1.26 -0.75 117.98 117.69 2de6 s PHE 39 Ca 0.29 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 2de6 s PHE 39 Cb -0.11 -1.13 -0.04 0.00 0.51 0.00 0.00 43.02 42.24 2de6 s PHE 39 CO 0.21 0.02 0.02 0.71 0.70 0.00 0.00 175.22 176.88 2de6 s TYR 40 N -0.62 0.98 -0.09 0.36 2.02 -0.50 -4.75 117.35 114.74 2de6 s TYR 40 Ca 0.08 -1.12 -0.10 0.00 -0.37 0.00 0.00 57.07 55.55 2de6 s TYR 40 Cb -0.08 -0.56 0.03 0.00 -0.40 0.00 0.00 41.96 40.94 2de6 s TYR 40 CO 0.00 -0.37 0.28 0.00 -1.57 0.00 0.00 175.55 173.90 2de6 s ALA 41 N -3.86 -0.70 0.31 3.71 0.00 -1.25 -0.82 121.76 119.16 2de6 s ALA 41 Ca 0.22 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 52.85 2de6 s ALA 41 Cb 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 2de6 s ALA 41 CO 0.01 -0.16 0.39 0.95 0.00 0.00 0.00 175.76 176.95 2de6 s THR 42 N -0.14 0.00 0.60 0.00 -4.23 -0.57 -1.44 115.64 109.85 2de6 s THR 42 Ca -0.03 -1.72 -0.18 0.00 -1.18 0.00 0.00 61.69 58.58 2de6 s THR 42 Cb -0.03 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 2de6 s THR 42 CO 0.01 0.00 1.17 -1.61 -0.54 0.00 0.00 174.62 173.65 2de6 s GLU 43 N -3.38 3.01 0.07 3.99 2.02 -0.87 -0.16 118.70 123.39 2de6 s GLU 43 Ca 0.33 1.70 0.06 0.00 0.02 0.00 0.00 54.97 57.08 2de6 s GLU 43 Cb 0.01 -1.95 -0.23 0.00 0.10 0.00 0.00 34.13 32.06 2de6 s GLU 43 CO 0.20 -1.14 1.11 0.22 0.02 0.00 0.00 175.26 175.67 2de6 h ASP 44 N 0.79 0.08 -3.21 -0.19 3.58 -1.20 -3.39 116.42 112.89 2de6 h ASP 44 Ca -0.50 -0.10 -0.55 0.00 0.42 0.00 0.00 57.03 56.30 2de6 h ASP 44 Cb 1.28 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.28 2de6 h ASP 44 CO 0.55 1.08 0.58 -0.89 -2.88 0.00 0.00 179.24 177.69 2de6 s THR 45 N -2.68 4.52 0.36 2.25 2.01 -1.26 -0.30 115.64 120.54 2de6 s THR 45 Ca -0.02 1.81 -0.28 0.00 0.31 0.00 0.00 61.69 63.51 2de6 s THR 45 Cb 0.09 -4.16 -0.11 0.00 0.01 0.00 0.00 72.50 68.32 2de6 s THR 45 CO 0.83 0.04 1.46 0.00 -0.69 0.00 0.00 174.62 176.26 2de6 n THR 47 N 0.66 0.59 0.92 0.00 -2.24 -1.26 -2.85 114.28 110.09 2de6 n THR 47 Ca 0.03 0.15 0.11 0.00 -2.27 0.00 0.00 64.05 62.07 2de6 n THR 47 Cb 0.38 -0.81 0.03 0.00 -2.10 0.00 0.00 70.33 67.83 2de6 n THR 47 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2de6 n HIS 48 N -1.44 0.04 0.00 4.78 -0.00 -1.26 -4.83 115.22 112.51 2de6 n HIS 48 Ca 0.06 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 2de6 n HIS 48 Cb 0.21 -0.16 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 2de6 n HIS 48 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2de6 n GLY 49 N 1.48 2.21 0.13 1.57 0.00 -1.13 -5.02 105.19 104.42 2de6 n GLY 49 Ca 0.04 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.13 2de6 n GLY 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2de6 n ILE 50 N 0.00 0.82 -1.75 -0.61 -5.35 -1.26 -4.58 119.36 106.63 2de6 n ILE 50 Ca 0.00 -0.91 -0.34 0.00 -0.27 0.00 0.00 62.75 61.23 2de6 n ILE 50 Cb 0.00 0.60 0.05 0.00 -1.74 0.00 0.00 39.64 38.55 2de6 n ILE 50 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2de6 s ALA 51 N -0.86 2.40 -0.33 -1.28 0.00 -1.26 -4.84 121.76 115.60 2de6 s ALA 51 Ca 0.04 0.74 -0.12 0.00 0.00 0.00 0.00 51.96 52.62 2de6 s ALA 51 Cb 0.02 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 2de6 s ALA 51 CO 0.03 -1.38 0.21 0.45 0.00 0.00 0.00 175.76 175.07 2de6 s SER 52 N -2.19 5.93 0.57 0.00 0.15 -1.26 -1.54 113.70 115.36 2de6 s SER 52 Ca 0.71 -0.40 0.33 0.00 0.70 0.00 0.00 55.95 57.29 2de6 s SER 52 Cb -0.25 -2.10 1.73 0.00 -1.71 0.00 0.00 66.02 63.69 2de6 s SER 52 CO 0.40 -0.21 2.15 -0.07 1.20 0.00 0.00 173.24 176.71 2de6 h LEU 53 N 8.44 0.00 0.00 3.45 3.38 -1.01 -0.84 115.31 128.74 2de6 h LEU 53 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2de6 h LEU 53 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2de6 h LEU 53 CO 0.62 0.06 0.00 -1.54 0.09 0.00 0.00 178.44 177.67 2de6 n SER 54 N -3.41 0.00 -0.95 -0.43 3.41 -1.26 -1.04 113.62 109.95 2de6 n SER 54 Ca -0.02 0.43 0.08 0.00 -0.26 0.00 0.00 58.87 59.10 2de6 n SER 54 Cb 0.19 -0.46 0.24 0.00 -0.26 0.00 0.00 64.21 63.92 2de6 n SER 54 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2de6 n GLU 55 N -1.46 3.11 -0.26 4.33 1.02 -0.32 -4.77 120.64 122.29 2de6 n GLU 55 Ca 0.04 -2.60 0.00 0.00 -0.02 0.00 0.00 57.16 54.58 2de6 n GLU 55 Cb 0.15 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 2de6 n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2de6 n GLY 56 N 0.10 1.63 3.25 0.62 0.00 -0.20 -4.57 105.19 106.02 2de6 n GLY 56 Ca 0.19 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 2de6 n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2de6 s THR 57 N 1.51 2.63 -0.24 2.61 2.01 -0.11 -4.92 115.64 119.13 2de6 s THR 57 Ca 0.00 -0.78 -0.17 0.00 0.31 0.00 0.00 61.69 61.06 2de6 s THR 57 Cb 0.00 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 2de6 s THR 57 CO 0.00 0.51 0.44 -0.22 -0.69 0.00 0.00 174.62 174.66 2de6 s LEU 58 N 0.94 4.08 -0.38 4.42 2.96 -1.26 0.51 118.68 129.95 2de6 s LEU 58 Ca -0.03 0.46 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 2de6 s LEU 58 Cb -0.15 -2.56 0.11 0.00 0.50 0.00 0.00 46.19 44.09 2de6 s LEU 58 CO -0.02 -0.19 0.12 -0.62 -1.32 0.00 0.00 176.35 174.32 2de6 s ASP 59 N 1.41 4.37 1.42 3.68 2.15 0.18 -4.99 116.67 124.90 2de6 s ASP 59 Ca 0.19 -2.26 0.00 0.00 0.43 0.00 0.00 52.55 50.91 2de6 s ASP 59 Cb -0.15 -1.37 0.00 0.00 -0.30 0.00 0.00 42.92 41.09 2de6 s ASP 59 CO 0.09 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 2de6 n GLY 60 N 4.08 1.75 1.96 2.66 0.00 -1.26 -2.07 105.19 112.32 2de6 n GLY 60 Ca 0.03 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.57 2de6 n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2de6 n ASP 61 N 6.27 4.86 -4.17 1.61 5.68 -1.26 -4.89 116.55 124.65 2de6 n ASP 61 Ca 0.00 -3.21 -0.33 0.00 -0.50 0.00 0.00 54.79 50.75 2de6 n ASP 61 Cb 0.00 -0.74 -0.16 0.00 -1.14 0.00 0.00 41.12 39.08 2de6 n ASP 61 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2de6 s VAL 62 N -2.99 2.11 -0.18 2.12 1.01 -0.88 -0.70 120.40 120.89 2de6 s VAL 62 Ca 0.55 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 2de6 s VAL 62 Cb 0.44 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 2de6 s VAL 62 CO 0.13 0.55 0.29 -0.51 0.00 0.00 0.00 175.10 175.56 2de6 s ILE 63 N 0.85 5.30 -0.22 2.22 1.10 0.29 -0.64 121.20 130.10 2de6 s ILE 63 Ca -0.06 0.52 -0.09 0.00 -0.51 0.00 0.00 60.65 60.51 2de6 s ILE 63 Cb -0.15 -3.62 -0.04 0.00 0.15 0.00 0.00 42.46 38.79 2de6 s ILE 63 CO -0.03 0.37 0.10 -0.70 -2.11 0.00 0.00 174.94 172.57 2de6 s GLU 64 N 0.66 3.95 0.25 3.50 2.12 0.18 -1.58 118.70 127.78 2de6 s GLU 64 Ca 0.15 -0.34 -0.30 0.00 0.36 0.00 0.00 54.97 54.85 2de6 s GLU 64 Cb -0.13 -3.37 -0.10 0.00 0.26 0.00 0.00 34.13 30.79 2de6 s GLU 64 CO 0.04 0.10 1.39 0.00 -0.54 0.00 0.00 175.26 176.25 2de6 h PRO 66 N 4.82 0.00 0.04 0.00 0.13 -1.84 -2.82 132.00 132.34 2de6 h PRO 66 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2de6 h PRO 66 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2de6 h PRO 66 CO 0.75 0.06 -0.02 0.74 -0.23 0.00 0.00 178.00 179.30 2de6 h PHE 67 N 0.00 -0.06 -0.08 1.56 -1.00 -1.94 -3.43 116.94 111.99 2de6 h PHE 67 Ca -0.00 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2de6 h PHE 67 Cb 0.52 0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.10 2de6 h PHE 67 CO 0.00 -0.03 0.00 0.72 -1.61 0.00 0.00 178.31 177.39 2de6 n HIS 68 N -3.41 0.11 -0.95 -0.55 8.25 -1.26 -4.99 115.22 112.42 2de6 n HIS 68 Ca -0.01 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.05 2de6 n HIS 68 Cb 0.02 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.10 2de6 n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2de6 n GLY 69 N -0.12 0.61 3.65 -1.41 0.00 -1.06 -4.72 105.19 102.14 2de6 n GLY 69 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2de6 n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2de6 s GLY 70 N -1.99 1.61 0.09 -0.02 0.00 -1.24 -4.66 107.32 101.11 2de6 s GLY 70 Ca 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 44.72 44.64 2de6 s GLY 70 CO 0.00 0.58 0.29 0.00 0.00 0.00 0.00 173.10 173.97 2de6 s ALA 71 N -2.75 -0.58 0.02 3.20 0.00 -1.03 -0.46 121.76 120.16 2de6 s ALA 71 Ca 0.65 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 2de6 s ALA 71 Cb -0.21 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 2de6 s ALA 71 CO 0.59 -0.54 -0.01 -0.06 0.00 0.00 0.00 175.76 175.74 2de6 s PHE 72 N -3.58 0.23 -0.26 0.00 0.08 -0.62 0.45 117.98 114.29 2de6 s PHE 72 Ca 0.02 -0.47 -0.23 0.00 0.12 0.00 0.00 56.93 56.37 2de6 s PHE 72 Cb 0.03 -0.17 -0.01 0.00 -0.57 0.00 0.00 43.02 42.30 2de6 s PHE 72 CO -0.10 -0.19 0.76 1.21 -0.10 0.00 0.00 175.22 176.81 2de6 s ASN 73 N -1.38 6.72 0.15 1.36 3.84 -0.28 -0.55 114.94 124.81 2de6 s ASN 73 Ca -0.15 0.86 0.19 0.00 0.21 0.00 0.00 52.86 53.97 2de6 s ASN 73 Cb -0.09 -2.40 0.81 0.00 -0.55 0.00 0.00 41.25 39.02 2de6 s ASN 73 CO -0.01 -0.50 1.58 1.33 -2.79 0.00 0.00 177.10 176.72 2de6 n VAL 74 N 5.30 0.95 0.06 -5.21 0.24 0.12 0.74 118.33 120.54 2de6 n VAL 74 Ca 0.03 0.27 -0.23 0.00 -2.04 0.00 0.00 64.34 62.38 2de6 n VAL 74 Cb 0.48 -1.14 -0.15 0.00 -1.47 0.00 0.00 33.84 31.56 2de6 n VAL 74 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2de6 n THR 76 N -3.67 0.26 -0.69 0.00 -2.24 -1.17 -4.99 114.28 101.77 2de6 n THR 76 Ca -0.25 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 2de6 n THR 76 Cb 1.03 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 2de6 n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2de6 n GLY 77 N 1.58 1.27 3.79 3.38 0.00 0.23 -4.86 105.19 110.57 2de6 n GLY 77 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2de6 n GLY 77 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2de6 s MET 78 N -0.13 4.16 0.37 1.61 -1.94 -1.24 0.07 119.30 122.19 2de6 s MET 78 Ca 0.00 1.45 -0.28 0.00 -1.71 0.00 0.00 55.69 55.15 2de6 s MET 78 Cb 0.00 -2.48 -0.11 0.00 2.01 0.00 0.00 34.83 34.25 2de6 s MET 78 CO 0.00 -0.13 1.47 -2.14 -0.01 0.00 0.00 175.02 174.21 2de6 s PRO 79 N -2.60 4.13 -0.04 2.03 0.02 -1.26 -1.13 135.00 136.15 2de6 s PRO 79 Ca 0.59 2.54 0.08 0.00 0.02 0.00 0.00 61.00 64.23 2de6 s PRO 79 Cb -0.20 -2.97 -0.11 0.00 0.02 0.00 0.00 34.50 31.23 2de6 s PRO 79 CO 0.25 -0.51 0.12 0.00 -0.33 0.00 0.00 177.00 176.53 2de6 n ALA 80 N 0.48 2.11 -3.10 -1.55 0.00 0.17 -4.78 120.51 113.84 2de6 n ALA 80 Ca 0.01 -0.32 -0.12 0.00 0.00 0.00 0.00 53.44 53.01 2de6 n ALA 80 Cb 0.39 -0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.60 2de6 n ALA 80 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2de6 s SER 81 N -3.35 -0.08 0.86 0.00 0.01 -1.13 -4.89 113.70 105.13 2de6 s SER 81 Ca -0.03 0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.16 2de6 s SER 81 Cb 0.04 0.29 0.11 0.00 0.21 0.00 0.00 66.02 66.67 2de6 s SER 81 CO 0.33 -0.26 1.09 -0.94 0.41 0.00 0.00 173.24 173.87 2de6 s SER 82 N -0.81 3.73 0.00 2.44 1.04 -1.26 -2.45 113.70 116.39 2de6 s SER 82 Ca -0.09 1.63 0.20 0.00 0.48 0.00 0.00 55.95 58.16 2de6 s SER 82 Cb -0.05 -2.30 1.13 0.00 0.10 0.00 0.00 66.02 64.90 2de6 s SER 82 CO 0.01 -2.50 1.73 -0.81 0.98 0.00 0.00 173.24 172.66 2de6 n PRO 83 N -3.81 1.06 -2.01 4.02 -0.04 -1.26 -3.68 135.00 129.29 2de6 n PRO 83 Ca 0.08 -0.09 -0.41 0.00 -0.04 0.00 0.00 63.50 63.03 2de6 n PRO 83 Cb 0.54 -1.31 -0.02 0.00 -0.04 0.00 0.00 33.50 32.67 2de6 n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2de6 n THR 85 N 2.56 0.00 -3.08 0.00 -2.24 -1.26 -4.82 114.28 105.45 2de6 n THR 85 Ca 0.08 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.46 2de6 n THR 85 Cb 0.40 -0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 2de6 n THR 85 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2de6 s VAL 86 N -1.16 5.00 0.50 2.28 1.01 -1.26 -4.86 120.40 121.91 2de6 s VAL 86 Ca 0.00 1.29 -0.23 0.00 0.00 0.00 0.00 61.98 63.04 2de6 s VAL 86 Cb 0.00 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 2de6 s VAL 86 CO 0.00 0.12 1.38 -2.84 0.00 0.00 0.00 175.10 173.76 2de6 s PRO 87 N 1.76 3.39 0.38 2.72 0.02 -1.26 -4.75 135.00 137.27 2de6 s PRO 87 Ca 0.31 2.30 -0.24 0.00 0.02 0.00 0.00 61.00 63.40 2de6 s PRO 87 Cb -0.16 -2.43 -0.10 0.00 0.02 0.00 0.00 34.50 31.82 2de6 s PRO 87 CO 0.12 -1.01 0.96 -0.51 -0.33 0.00 0.00 177.00 176.23 2de6 s LEU 88 N -3.16 4.14 0.20 -5.54 1.43 0.11 -5.00 118.68 110.86 2de6 s LEU 88 Ca 0.67 1.80 -0.30 0.00 -1.03 0.00 0.00 54.13 55.27 2de6 s LEU 88 Cb -0.41 -4.26 -0.08 0.00 0.03 0.00 0.00 46.19 41.46 2de6 s LEU 88 CO 0.51 -0.25 1.13 -0.83 0.23 0.00 0.00 176.35 177.14 2de6 s GLY 89 N -1.85 2.84 0.04 -3.19 0.00 -1.26 -4.63 107.32 99.27 2de6 s GLY 89 Ca 0.56 0.87 0.05 0.00 0.00 0.00 0.00 44.72 46.20 2de6 s GLY 89 CO 0.20 1.69 -0.09 0.14 0.00 0.00 0.00 173.10 175.03 2de6 s VAL 90 N -0.35 3.46 -0.06 1.40 1.01 -1.26 -2.04 120.40 122.55 2de6 s VAL 90 Ca 0.49 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2de6 s VAL 90 Cb -0.31 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.54 2de6 s VAL 90 CO 0.37 0.29 -0.16 -0.36 0.00 0.00 0.00 175.10 175.24 2de6 s PHE 91 N -1.07 1.71 0.51 5.22 0.40 -0.52 -0.89 117.98 123.34 2de6 s PHE 91 Ca 0.18 -0.59 -0.21 0.00 -0.60 0.00 0.00 56.93 55.71 2de6 s PHE 91 Cb -0.11 -1.19 -0.06 0.00 0.51 0.00 0.00 43.02 42.17 2de6 s PHE 91 CO 0.10 -0.25 1.15 -1.83 0.70 0.00 0.00 175.22 175.09 2de6 s GLU 92 N 0.37 3.50 0.04 0.44 -1.05 -1.26 -3.80 118.70 116.93 2de6 s GLU 92 Ca -0.11 1.70 0.06 0.00 -0.15 0.00 0.00 54.97 56.48 2de6 s GLU 92 Cb -0.14 -2.18 -0.02 0.00 -0.44 0.00 0.00 34.13 31.35 2de6 s GLU 92 CO 0.04 -0.75 -0.18 0.08 0.95 0.00 0.00 175.26 175.40 2de6 s VAL 93 N -1.66 1.47 -0.02 1.83 1.01 -1.26 -1.27 120.40 120.50 2de6 s VAL 93 Ca 0.69 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2de6 s VAL 93 Cb -0.27 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2de6 s VAL 93 CO 0.31 0.16 -0.06 -0.70 0.00 0.00 0.00 175.10 174.81 2de6 s GLU 94 N -1.09 0.63 -0.25 2.72 2.56 -0.16 -5.00 118.70 118.11 2de6 s GLU 94 Ca 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 54.97 54.82 2de6 s GLU 94 Cb -0.08 -0.62 0.03 0.00 2.00 0.00 0.00 34.13 35.46 2de6 s GLU 94 CO 0.01 0.08 -0.06 0.08 -0.56 0.00 0.00 175.26 174.81 2de6 s VAL 95 N 0.17 2.82 -0.08 3.70 1.01 -1.26 -0.60 120.40 126.15 2de6 s VAL 95 Ca -0.02 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 60.87 2de6 s VAL 95 Cb -0.06 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.87 2de6 s VAL 95 CO -0.00 0.16 -0.12 -0.54 0.00 0.00 0.00 175.10 174.60 2de6 s LYS 96 N 1.30 1.76 -1.50 2.72 1.02 -0.35 -4.77 119.74 119.93 2de6 s LYS 96 Ca -0.01 -0.41 -0.13 0.00 0.02 0.00 0.00 55.97 55.45 2de6 s LYS 96 Cb -0.17 -1.54 0.07 0.00 -0.52 0.00 0.00 37.83 35.67 2de6 s LYS 96 CO -0.04 -0.06 0.96 0.39 -0.92 0.00 0.00 175.35 175.67 2de6 n GLU 97 N 4.14 -5.62 -0.99 1.68 1.02 -1.26 -1.30 120.64 118.31 2de6 n GLU 97 Ca -0.20 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 2de6 n GLU 97 Cb 0.51 -5.53 0.00 0.00 -0.02 0.00 0.00 31.44 26.40 2de6 n GLU 97 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2de6 n GLY 98 N -1.68 0.40 3.51 0.62 0.00 -1.26 -5.02 105.19 101.75 2de6 n GLY 98 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2de6 n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2de6 s GLU 99 N -0.51 2.91 -0.22 1.61 2.56 -0.42 -0.74 118.70 123.89 2de6 s GLU 99 Ca 0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 54.97 54.23 2de6 s GLU 99 Cb 0.00 -2.58 -0.04 0.00 2.00 0.00 0.00 34.13 33.50 2de6 s GLU 99 CO 0.00 0.52 0.30 0.08 -0.56 0.00 0.00 175.26 175.60 2de6 s VAL 100 N -0.45 5.26 -0.01 3.70 1.01 0.86 -1.21 120.40 129.57 2de6 s VAL 100 Ca 0.06 0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.61 2de6 s VAL 100 Cb -0.12 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2de6 s VAL 100 CO 0.02 0.29 -0.26 -0.31 0.00 0.00 0.00 175.10 174.84 2de6 s TYR 101 N 1.22 2.30 -0.05 5.22 1.51 0.23 -0.30 117.35 127.47 2de6 s TYR 101 Ca 0.14 -0.43 0.06 0.00 -1.01 0.00 0.00 57.07 55.83 2de6 s TYR 101 Cb -0.14 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.23 2de6 s TYR 101 CO 0.06 -0.02 -0.23 0.54 -1.11 0.00 0.00 175.55 174.80 2de6 s VAL 102 N -0.63 1.84 0.41 0.71 0.11 -0.25 -0.99 120.40 121.61 2de6 s VAL 102 Ca 0.10 -0.96 -0.24 0.00 -2.93 0.00 0.00 61.98 57.95 2de6 s VAL 102 Cb -0.10 -1.56 -0.11 0.00 -1.53 0.00 0.00 36.38 33.08 2de6 s VAL 102 CO -0.01 0.52 0.95 0.00 -3.33 0.00 0.00 175.10 173.23 2de6 n ALA 103 N 2.94 -0.08 0.17 1.54 0.00 -0.39 -0.93 120.51 123.76 2de6 n ALA 103 Ca -0.17 0.23 0.04 0.00 0.00 0.00 0.00 53.44 53.54 2de6 n ALA 103 Cb 0.52 -2.04 0.21 0.00 0.00 0.00 0.00 19.45 18.15 2de6 n ALA 103 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2de6 h GLY 104 N 1.45 0.00 -4.27 0.00 0.00 -1.91 -3.44 103.07 94.89 2de6 h GLY 104 Ca -0.44 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.22 2de6 h GLY 104 CO 0.56 0.00 -0.87 -0.54 0.00 0.00 0.00 176.54 175.69 2de6 s GLU 105 N -3.33 1.64 0.65 4.80 8.01 -1.26 -5.09 118.70 124.12 2de6 s GLU 105 Ca 0.02 -1.13 -0.17 0.00 0.01 0.00 0.00 54.97 53.70 2de6 s GLU 105 Cb 0.10 -1.86 -0.01 0.00 -4.31 0.00 0.00 34.13 28.05 2de6 s GLU 105 CO 0.71 0.47 1.23 0.21 0.01 0.00 0.00 175.26 177.89 2de6 s LYS 106 N -1.39 2.62 0.00 1.61 2.20 -1.26 -4.73 119.74 118.79 2de6 s LYS 106 Ca 0.11 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.58 2de6 s LYS 106 Cb -0.10 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.34 2de6 s LYS 106 CO 0.03 -1.49 0.00 1.17 -0.36 0.00 0.00 175.35 174.70