#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 n LEU 2 N 0.00 -2.29 -4.33 -0.89 7.94 -1.26 -5.04 117.00 111.12 3df4 n LEU 2 Ca 0.00 -2.89 -0.21 0.00 -1.11 0.00 0.00 56.01 51.80 3df4 n LEU 2 Cb 0.00 0.80 -0.11 0.00 0.53 0.00 0.00 43.42 44.64 3df4 n LEU 2 CO 0.00 1.88 -0.47 0.00 -1.11 0.00 0.00 177.39 177.69 3df4 s GLN 3 N 0.43 1.27 -0.01 1.96 -2.07 -1.26 -4.63 119.66 115.35 3df4 s GLN 3 Ca 0.28 -1.43 -0.35 0.00 -1.82 0.00 0.00 55.36 52.04 3df4 s GLN 3 Cb 0.24 -1.26 -0.14 0.00 -1.09 0.00 0.00 33.01 30.76 3df4 s GLN 3 CO -0.17 0.25 1.70 -2.30 -1.32 0.00 0.00 175.29 173.44 3df4 n PRO 4 N 0.19 1.90 0.29 9.60 -0.02 -1.26 -4.86 135.00 140.84 3df4 n PRO 4 Ca -0.12 0.69 0.17 0.00 -2.02 0.00 0.00 63.50 62.22 3df4 n PRO 4 Cb 0.58 -2.47 0.88 0.00 -0.02 0.00 0.00 33.50 32.47 3df4 n PRO 4 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3df4 h LYS 5 N 7.30 0.00 -2.51 -0.52 1.79 -2.04 -3.43 116.57 117.16 3df4 h LYS 5 Ca -0.47 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.91 3df4 h LYS 5 Cb 1.28 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.73 3df4 h LYS 5 CO 0.91 0.05 -0.06 0.50 -1.08 0.00 0.00 179.45 179.77 3df4 s ARG 6 N -4.09 0.80 -0.09 3.15 3.52 -1.26 -5.17 118.95 115.81 3df4 s ARG 6 Ca -0.03 0.21 -0.09 0.00 -0.13 0.00 0.00 55.73 55.69 3df4 s ARG 6 Cb 0.12 0.37 0.02 0.00 -1.56 0.00 0.00 34.95 33.91 3df4 s ARG 6 CO 0.52 -0.21 0.26 0.95 -0.81 0.00 0.00 175.30 176.01 3df4 s THR 7 N -0.87 0.00 0.39 4.11 -4.23 -1.26 -5.04 115.64 108.74 3df4 s THR 7 Ca -0.09 -0.03 0.06 0.00 -1.18 0.00 0.00 61.69 60.45 3df4 s THR 7 Cb -0.03 -0.37 0.28 0.00 1.34 0.00 0.00 72.50 73.72 3df4 s THR 7 CO 0.05 -0.02 2.02 0.50 -0.54 0.00 0.00 174.62 176.64 3df4 h LYS 8 N 5.66 0.65 -4.73 3.99 1.63 -2.02 -3.42 116.57 118.32 3df4 h LYS 8 Ca -0.26 -0.04 -0.38 0.00 -0.85 0.00 0.00 60.65 59.12 3df4 h LYS 8 Cb 1.19 -0.15 -0.27 0.00 -0.60 0.00 0.00 32.23 32.40 3df4 h LYS 8 CO 0.35 0.43 -0.77 -0.06 -3.45 0.00 0.00 179.45 175.95 3df4 s PHE 9 N -5.59 0.80 0.16 1.91 0.08 -1.26 -5.06 117.98 109.02 3df4 s PHE 9 Ca -0.09 -0.21 -0.09 0.00 0.12 0.00 0.00 56.93 56.66 3df4 s PHE 9 Cb 0.18 -0.50 0.01 0.00 -0.57 0.00 0.00 43.02 42.14 3df4 s PHE 9 CO 0.75 -0.01 1.51 0.00 -0.10 0.00 0.00 175.22 177.36 3df4 h ARG 10 N 5.62 0.88 -6.54 0.44 2.47 -2.04 -3.45 114.38 111.77 3df4 h ARG 10 Ca -0.32 -0.45 -0.67 0.00 -1.26 0.00 0.00 59.98 57.28 3df4 h ARG 10 Cb 1.18 0.01 -0.27 0.00 -1.65 0.00 0.00 29.97 29.24 3df4 h ARG 10 CO 0.48 1.10 -0.87 0.15 0.56 0.00 0.00 179.97 181.38 3df4 s LYS 11 N -4.40 1.79 0.26 0.04 1.02 -1.26 -4.86 119.74 112.33 3df4 s LYS 11 Ca -0.10 -1.01 0.12 0.00 0.02 0.00 0.00 55.97 54.99 3df4 s LYS 11 Cb 0.12 -1.88 -0.05 0.00 -0.52 0.00 0.00 37.83 35.50 3df4 s LYS 11 CO 0.87 0.50 -0.20 1.41 -0.92 0.00 0.00 175.35 177.01 3df4 s MET 12 N -1.02 1.63 0.00 1.68 1.75 -1.26 -5.06 119.30 117.02 3df4 s MET 12 Ca 0.10 -1.73 0.00 0.00 -1.25 0.00 0.00 55.69 52.82 3df4 s MET 12 Cb -0.10 -1.72 0.00 0.00 2.84 0.00 0.00 34.83 35.85 3df4 s MET 12 CO 0.01 0.33 0.00 0.72 -0.65 0.00 0.00 175.02 175.43 3df4 n HIS 13 N -0.49 -1.76 -0.11 4.11 8.25 -1.26 -4.72 115.22 119.24 3df4 n HIS 13 Ca -0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.20 3df4 n HIS 13 Cb 0.60 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.63 3df4 n HIS 13 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3df4 n LYS 14 N -0.92 0.55 0.00 -0.41 4.81 -1.26 -4.84 118.16 116.09 3df4 n LYS 14 Ca 0.00 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 3df4 n LYS 14 Cb 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.50 3df4 n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3df4 n GLY 15 N 1.38 1.00 2.73 3.14 0.00 -1.26 -4.99 105.19 107.18 3df4 n GLY 15 Ca -0.34 -0.63 0.02 0.00 0.00 0.00 0.00 46.02 45.06 3df4 n GLY 15 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3df4 n ARG 16 N 0.00 0.15 -3.75 1.61 1.85 -1.26 -5.19 116.66 110.07 3df4 n ARG 16 Ca 0.00 -0.56 -0.21 0.00 -1.00 0.00 0.00 57.85 56.08 3df4 n ARG 16 Cb 0.00 0.91 -0.03 0.00 -1.05 0.00 0.00 32.46 32.29 3df4 n ARG 16 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3df4 s ASN 17 N -2.93 5.26 0.00 2.89 0.02 -1.26 -5.05 114.94 113.88 3df4 s ASN 17 Ca 0.20 -0.54 0.15 0.00 -1.02 0.00 0.00 52.86 51.66 3df4 s ASN 17 Cb -0.01 -0.89 0.25 0.00 0.02 0.00 0.00 41.25 40.62 3df4 s ASN 17 CO -0.00 -0.42 1.07 0.54 0.02 0.00 0.00 177.10 178.31 3df4 n ARG 18 N -1.42 0.00 -0.90 -0.60 5.12 -1.26 -5.15 116.66 112.45 3df4 n ARG 18 Ca -0.01 -1.53 0.12 0.00 -1.93 0.00 0.00 57.85 54.51 3df4 n ARG 18 Cb 0.60 -0.04 -0.03 0.00 -1.16 0.00 0.00 32.46 31.83 3df4 n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3df4 n GLY 19 N 0.29 -1.21 3.02 -0.13 0.00 -1.26 -4.97 105.19 100.93 3df4 n GLY 19 Ca -0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 46.02 45.26 3df4 n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3df4 n LEU 20 N 0.00 -4.87 0.00 0.99 7.99 -1.12 -4.79 117.00 115.20 3df4 n LEU 20 Ca 0.01 0.93 0.00 0.00 -0.01 0.00 0.00 56.01 56.94 3df4 n LEU 20 Cb 0.41 -2.03 0.00 0.00 -0.11 0.00 0.00 43.42 41.69 3df4 n LEU 20 CO 0.01 -2.39 0.00 0.00 -1.51 0.00 0.00 177.39 173.49 3df4 n ALA 21 N 1.61 0.00 -0.07 -1.18 0.00 -0.52 -4.93 120.51 115.41 3df4 n ALA 21 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.25 3df4 n ALA 21 Cb 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.70 3df4 n ALA 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3df4 n GLN 22 N -0.07 0.29 -1.31 0.00 1.13 -1.26 -4.76 117.38 111.41 3df4 n GLN 22 Ca 0.00 0.13 -0.41 0.00 -1.94 0.00 0.00 57.00 54.78 3df4 n GLN 22 Cb 0.00 -0.99 -0.06 0.00 0.11 0.00 0.00 30.24 29.30 3df4 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3df4 n GLY 23 N 2.14 2.24 0.00 1.08 0.00 -1.26 -4.71 105.19 104.68 3df4 n GLY 23 Ca -0.27 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3df4 n GLY 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3df4 n THR 24 N 6.35 0.00 -3.77 2.61 -1.04 -1.26 0.19 114.28 117.36 3df4 n THR 24 Ca 0.49 1.10 -0.29 0.00 -2.04 0.00 0.00 64.05 63.31 3df4 n THR 24 Cb 0.42 -2.03 -0.04 0.00 -1.82 0.00 0.00 70.33 66.86 3df4 n THR 24 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 3df4 s ASP 25 N -2.00 6.40 1.09 8.00 3.84 -1.26 -4.18 116.67 128.56 3df4 s ASP 25 Ca 0.00 0.39 -0.18 0.00 -0.00 0.00 0.00 52.55 52.76 3df4 s ASP 25 Cb 0.00 -2.00 0.12 0.00 -1.38 0.00 0.00 42.92 39.66 3df4 s ASP 25 CO 0.00 0.04 0.05 1.33 -0.00 0.00 0.00 175.17 176.59 3df4 n VAL 26 N -0.26 0.00 -1.42 2.11 0.24 -1.26 -4.98 118.33 112.76 3df4 n VAL 26 Ca -0.04 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 3df4 n VAL 26 Cb 0.53 -0.55 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 3df4 n VAL 26 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3df4 n SER 27 N -1.41 0.00 0.00 -1.34 7.64 -1.26 -4.96 113.62 112.29 3df4 n SER 27 Ca 0.03 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.20 3df4 n SER 27 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 3df4 n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3df4 n PHE 28 N 0.00 0.00 0.00 1.43 3.72 -1.26 -5.09 117.46 116.26 3df4 n PHE 28 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3df4 n PHE 28 Cb 0.32 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 3df4 n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3df4 n GLY 29 N 0.88 1.26 0.00 1.37 0.00 -1.26 -4.88 105.19 102.57 3df4 n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3df4 n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3df4 n SER 30 N 0.00 0.00 0.00 1.61 3.41 0.14 -4.79 113.62 113.99 3df4 n SER 30 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 3df4 n SER 30 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3df4 n SER 30 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3df4 n PHE 31 N 0.00 0.00 -1.36 7.33 3.01 -1.13 -2.46 117.46 122.84 3df4 n PHE 31 Ca 0.00 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.63 3df4 n PHE 31 Cb 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.42 3df4 n PHE 31 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3df4 n GLY 32 N 0.00 -2.77 3.85 1.37 0.00 -1.26 -4.15 105.19 102.24 3df4 n GLY 32 Ca 0.00 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 3df4 n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3df4 s LEU 33 N -7.11 4.37 0.19 0.99 1.43 -1.18 -3.67 118.68 113.70 3df4 s LEU 33 Ca 0.00 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 3df4 s LEU 33 Cb 0.00 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 3df4 s LEU 33 CO 0.00 0.37 0.34 -0.75 0.23 0.00 0.00 176.35 176.53 3df4 s LYS 34 N -0.83 3.46 0.00 1.70 2.47 0.07 -1.62 119.74 125.00 3df4 s LYS 34 Ca 0.15 -0.54 0.00 0.00 -1.56 0.00 0.00 55.97 54.02 3df4 s LYS 34 Cb -0.12 -2.91 0.00 0.00 -1.46 0.00 0.00 37.83 33.34 3df4 s LYS 34 CO 0.04 0.46 0.21 0.00 0.16 0.00 0.00 175.35 176.22 3df4 n ALA 35 N -0.76 0.00 0.00 3.13 0.00 -0.98 -2.51 120.51 119.40 3df4 n ALA 35 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3df4 n ALA 35 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3df4 n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3df4 n VAL 36 N -0.30 0.00 -1.77 0.00 0.31 -1.26 -3.36 118.33 111.94 3df4 n VAL 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3df4 n VAL 36 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3df4 n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3df4 n GLY 37 N 0.00 3.85 0.00 2.92 0.00 -1.23 -4.75 105.19 105.98 3df4 n GLY 37 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 3df4 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df4 n ARG 38 N 0.00 0.00 0.00 1.61 1.74 -1.26 -0.47 116.66 118.28 3df4 n ARG 38 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3df4 n ARG 38 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3df4 n ARG 38 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3df4 n GLY 39 N 1.41 0.99 3.19 -0.13 0.00 -1.26 -4.60 105.19 104.80 3df4 n GLY 39 Ca 0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 3df4 n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3df4 s ARG 40 N 0.00 0.69 0.36 1.61 1.70 -1.26 -3.05 118.95 118.99 3df4 s ARG 40 Ca 0.00 -0.55 0.06 0.00 -0.47 0.00 0.00 55.73 54.77 3df4 s ARG 40 Cb 0.00 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.66 3df4 s ARG 40 CO 0.00 -0.20 0.51 -0.51 -1.08 0.00 0.00 175.30 174.02 3df4 s LEU 41 N -1.94 3.89 0.07 -1.89 1.43 0.53 -4.80 118.68 115.97 3df4 s LEU 41 Ca -0.07 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 52.95 3df4 s LEU 41 Cb -0.02 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 3df4 s LEU 41 CO -0.02 -0.51 -0.20 -0.89 0.23 0.00 0.00 176.35 174.96 3df4 s THR 42 N -2.24 1.59 0.22 5.49 2.01 -1.26 0.17 115.64 121.61 3df4 s THR 42 Ca 0.47 -1.32 -0.14 0.00 0.31 0.00 0.00 61.69 61.00 3df4 s THR 42 Cb -0.10 -1.42 0.25 0.00 0.01 0.00 0.00 72.50 71.25 3df4 s THR 42 CO 0.32 0.05 1.60 0.00 -0.69 0.00 0.00 174.62 175.90 3df4 h ALA 43 N 4.51 0.34 0.00 7.40 0.00 -1.80 0.78 119.26 130.49 3df4 h ALA 43 Ca -0.43 0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3df4 h ALA 43 Cb 1.17 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 3df4 h ALA 43 CO 0.42 -0.49 -0.19 0.00 0.00 0.00 0.00 179.25 179.00 3df4 h ARG 44 N -0.04 0.00 0.00 0.00 3.08 -1.94 -2.89 114.38 112.59 3df4 h ARG 44 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 3df4 h ARG 44 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3df4 h ARG 44 CO -0.75 0.19 0.00 1.04 -1.07 0.00 0.00 179.97 179.38 3df4 n GLN 45 N -3.36 0.00 0.24 0.04 6.02 0.25 0.64 117.38 121.22 3df4 n GLN 45 Ca 0.00 0.37 0.15 0.00 -0.01 0.00 0.00 57.00 57.51 3df4 n GLN 45 Cb 0.41 -1.12 0.64 0.00 1.02 0.00 0.00 30.24 31.18 3df4 n GLN 45 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 3df4 h ILE 46 N 0.00 0.08 0.13 5.09 3.07 -1.16 0.70 117.51 125.42 3df4 h ILE 46 Ca 0.00 0.00 -0.34 0.00 1.55 0.00 0.00 64.86 66.07 3df4 h ILE 46 Cb 0.00 0.50 -0.01 0.00 -0.27 0.00 0.00 36.82 37.04 3df4 h ILE 46 CO 0.00 0.00 -1.81 -0.33 -1.05 0.00 0.00 178.15 174.96 3df4 h GLU 47 N 0.00 0.27 -0.26 0.16 4.39 -1.52 -1.64 114.58 115.97 3df4 h GLU 47 Ca 0.08 -0.46 -0.04 0.00 0.34 0.00 0.00 59.36 59.28 3df4 h GLU 47 Cb 1.15 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 3df4 h GLU 47 CO -0.00 1.14 0.01 0.00 -1.16 0.00 0.00 179.01 179.00 3df4 h ALA 48 N 0.27 1.53 0.04 3.43 0.00 0.60 0.23 119.26 125.37 3df4 h ALA 48 Ca -0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3df4 h ALA 48 Cb 2.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3df4 h ALA 48 CO 0.13 0.34 -0.02 0.00 0.00 0.00 0.00 179.25 179.70 3df4 h ALA 49 N 1.64 -0.06 0.10 0.00 0.00 -1.01 -3.15 119.26 116.77 3df4 h ALA 49 Ca 0.09 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3df4 h ALA 49 Cb 0.25 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3df4 h ALA 49 CO 0.01 -0.09 -0.46 -0.09 0.00 0.00 0.00 179.25 178.62 3df4 h ARG 50 N -0.94 -0.62 -0.98 0.00 2.43 -1.07 1.55 114.38 114.75 3df4 h ARG 50 Ca -0.01 0.04 0.28 0.00 -0.81 0.00 0.00 59.98 59.49 3df4 h ARG 50 Cb 0.61 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.27 3df4 h ARG 50 CO 0.01 -0.41 0.85 0.00 -1.51 0.00 0.00 179.97 178.91 3df4 h ARG 51 N -0.65 0.00 0.13 0.20 3.08 -0.71 0.80 114.38 117.24 3df4 h ARG 51 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 3df4 h ARG 51 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3df4 h ARG 51 CO -0.25 0.00 -1.94 0.00 -1.07 0.00 0.00 179.97 176.70 3df4 h ALA 52 N 1.22 0.41 -0.96 0.04 0.00 -0.95 -3.26 119.26 115.75 3df4 h ALA 52 Ca 0.47 -1.36 0.09 0.00 0.00 0.00 0.00 54.91 54.11 3df4 h ALA 52 Cb 2.16 0.66 -0.08 0.00 0.00 0.00 0.00 17.79 20.53 3df4 h ALA 52 CO -0.00 1.28 0.60 1.98 0.00 0.00 0.00 179.25 183.11 3df4 h MET 53 N 0.08 0.98 -0.28 0.00 1.85 0.84 -2.04 114.93 116.36 3df4 h MET 53 Ca -0.40 -0.06 -0.04 0.00 -0.61 0.00 0.00 59.70 58.59 3df4 h MET 53 Cb 2.05 -0.22 -0.01 0.00 0.43 0.00 0.00 31.60 33.84 3df4 h MET 53 CO 0.10 0.65 0.03 1.15 -0.40 0.00 0.00 176.91 178.45 3df4 h THR 54 N 1.01 1.24 0.00 -0.77 2.02 -0.46 -2.45 112.91 113.50 3df4 h THR 54 Ca 0.45 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3df4 h THR 54 Cb 0.34 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3df4 h THR 54 CO -0.23 0.26 0.00 -1.14 0.37 0.00 0.00 175.52 174.79 3df4 n ARG 55 N -4.64 0.39 0.00 6.66 3.00 -0.77 -1.41 116.66 119.89 3df4 n ARG 55 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 3df4 n ARG 55 Cb 0.22 -1.19 0.00 0.00 0.00 0.00 0.00 32.46 31.49 3df4 n ARG 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3df4 n ALA 56 N 0.28 2.54 0.70 5.13 0.00 -0.95 -4.55 120.51 123.65 3df4 n ALA 56 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3df4 n ALA 56 Cb 0.10 0.45 0.33 0.00 0.00 0.00 0.00 19.45 20.33 3df4 n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3df4 n VAL 57 N -2.70 0.07 0.00 0.00 0.31 -0.50 -4.81 118.33 110.70 3df4 n VAL 57 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3df4 n VAL 57 Cb 0.45 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 3df4 n VAL 57 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3df4 n LYS 58 N -1.03 0.00 0.01 5.55 4.01 -1.01 -3.46 118.16 122.23 3df4 n LYS 58 Ca 0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.88 3df4 n LYS 58 Cb 0.04 -0.04 0.00 0.00 -0.51 0.00 0.00 35.03 34.53 3df4 n LYS 58 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 3df4 n ARG 59 N 0.00 0.00 -0.41 1.97 0.63 -1.26 -4.92 116.66 112.67 3df4 n ARG 59 Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 3df4 n ARG 59 Cb 0.00 0.00 0.20 0.00 0.45 0.00 0.00 32.46 33.11 3df4 n ARG 59 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3df4 n GLN 60 N -2.02 -3.20 -0.25 -0.14 0.00 -1.22 -4.90 117.38 105.65 3df4 n GLN 60 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 57.00 56.05 3df4 n GLN 60 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 30.24 28.62 3df4 n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3df4 n GLY 61 N 2.26 -3.32 3.90 2.61 0.00 -0.85 -4.88 105.19 104.92 3df4 n GLY 61 Ca 0.09 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 3df4 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3df4 s LYS 62 N -5.18 3.59 0.04 1.61 2.20 -1.26 -4.83 119.74 115.91 3df4 s LYS 62 Ca 0.00 -0.15 0.02 0.00 -0.36 0.00 0.00 55.97 55.48 3df4 s LYS 62 Cb 0.00 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.42 3df4 s LYS 62 CO 0.00 0.49 -0.08 0.96 -0.36 0.00 0.00 175.35 176.36 3df4 s ILE 63 N -1.63 0.60 0.26 5.43 -5.25 -1.26 -3.37 121.20 115.98 3df4 s ILE 63 Ca 0.40 -1.04 0.08 0.00 -0.99 0.00 0.00 60.65 59.09 3df4 s ILE 63 Cb -0.12 -0.64 -0.05 0.00 2.95 0.00 0.00 42.46 44.59 3df4 s ILE 63 CO 0.25 -0.33 -0.10 0.26 -1.79 0.00 0.00 174.94 173.24 3df4 s TRP 64 N -1.28 1.95 -0.40 1.37 0.51 -0.08 -4.94 118.94 116.08 3df4 s TRP 64 Ca -0.08 -0.62 0.08 0.00 -2.12 0.00 0.00 56.10 53.36 3df4 s TRP 64 Cb -0.09 -1.04 0.24 0.00 -0.81 0.00 0.00 33.47 31.77 3df4 s TRP 64 CO 0.01 0.36 0.53 0.44 -0.51 0.00 0.00 176.95 177.78 3df4 n ILE 65 N -0.55 -0.69 -0.28 2.03 -6.64 -1.26 -2.71 119.36 109.26 3df4 n ILE 65 Ca -0.06 -3.76 -0.02 0.00 -1.77 0.00 0.00 62.75 57.14 3df4 n ILE 65 Cb 0.62 -1.67 -0.03 0.00 -1.44 0.00 0.00 39.64 37.13 3df4 n ILE 65 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 3df4 n ARG 66 N 1.56 0.56 -3.67 6.28 1.74 -1.20 -4.58 116.66 117.35 3df4 n ARG 66 Ca 0.21 -0.15 -0.13 0.00 -0.77 0.00 0.00 57.85 57.01 3df4 n ARG 66 Cb 0.53 -1.44 -0.13 0.00 -1.02 0.00 0.00 32.46 30.40 3df4 n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3df4 s VAL 67 N 1.53 -0.35 0.02 1.55 -7.23 -1.26 -4.70 120.40 109.96 3df4 s VAL 67 Ca 0.10 0.26 0.06 0.00 -1.81 0.00 0.00 61.98 60.59 3df4 s VAL 67 Cb 0.05 -0.43 -0.02 0.00 0.56 0.00 0.00 36.38 36.53 3df4 s VAL 67 CO 0.00 0.11 -0.18 0.12 -0.31 0.00 0.00 175.10 174.84 3df4 s PHE 68 N 2.22 1.59 0.00 2.82 5.36 -1.26 -5.11 117.98 123.60 3df4 s PHE 68 Ca -0.01 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 55.62 3df4 s PHE 68 Cb -0.12 -0.97 0.00 0.00 -0.34 0.00 0.00 43.02 41.59 3df4 s PHE 68 CO -0.09 0.04 0.20 -0.35 -1.46 0.00 0.00 175.22 173.57 3df4 n PRO 69 N 2.13 0.00 0.00 10.12 -0.04 -1.26 -4.56 135.00 141.39 3df4 n PRO 69 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 3df4 n PRO 69 Cb 0.54 -0.64 0.00 0.00 -0.04 0.00 0.00 33.50 33.36 3df4 n PRO 69 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3df4 n ASP 70 N -0.30 0.00 -4.60 3.54 5.68 -1.25 -4.38 116.55 115.25 3df4 n ASP 70 Ca 0.00 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.87 3df4 n ASP 70 Cb 0.00 -0.41 -0.05 0.00 -1.14 0.00 0.00 41.12 39.52 3df4 n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3df4 s LYS 71 N 0.00 3.85 0.01 0.11 2.47 -1.03 -4.97 119.74 120.18 3df4 s LYS 71 Ca 0.00 0.40 -0.04 0.00 -1.56 0.00 0.00 55.97 54.77 3df4 s LYS 71 Cb 0.00 -3.77 -0.02 0.00 -1.46 0.00 0.00 37.83 32.59 3df4 s LYS 71 CO 0.00 -0.74 1.07 -1.35 0.16 0.00 0.00 175.35 174.49 3df4 h PRO 72 N 8.30 -0.09 -4.37 4.03 0.11 -1.87 -0.21 132.00 137.90 3df4 h PRO 72 Ca -0.25 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.87 3df4 h PRO 72 Cb 1.10 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 3df4 h PRO 72 CO 0.88 -0.06 -1.09 -0.89 -0.21 0.00 0.00 178.00 176.63 3df4 n ILE 73 N -2.83-10.63 -0.02 4.15 2.08 -1.26 -3.99 119.36 106.86 3df4 n ILE 73 Ca -0.01 2.22 0.00 0.00 0.56 0.00 0.00 62.75 65.52 3df4 n ILE 73 Cb 0.05 -5.70 0.00 0.00 -0.75 0.00 0.00 39.64 33.24 3df4 n ILE 73 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3df4 n THR 74 N 1.33 0.00 0.00 1.39 -2.24 -1.26 -3.06 114.28 110.44 3df4 n THR 74 Ca -0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3df4 n THR 74 Cb 0.36 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 3df4 n THR 74 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3df4 n GLU 75 N 0.00 0.00 -3.74 -0.78 2.13 -1.19 -4.59 120.64 112.47 3df4 n GLU 75 Ca 0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 3df4 n GLU 75 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 3df4 n GLU 75 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3df4 s LYS 76 N -1.40 3.98 0.60 5.31 -0.14 -1.26 -2.80 119.74 124.03 3df4 s LYS 76 Ca 0.00 -0.32 -0.09 0.00 -1.36 0.00 0.00 55.97 54.20 3df4 s LYS 76 Cb 0.00 -3.45 0.13 0.00 -1.68 0.00 0.00 37.83 32.84 3df4 s LYS 76 CO 0.00 0.05 0.30 -2.30 -0.76 0.00 0.00 175.35 172.64 3df4 n PRO 77 N 4.29 -1.73 0.00 -1.68 -0.02 -1.26 -5.01 135.00 129.59 3df4 n PRO 77 Ca -0.15 -0.51 0.00 0.00 -2.02 0.00 0.00 63.50 60.82 3df4 n PRO 77 Cb 0.52 -0.83 0.00 0.00 -0.02 0.00 0.00 33.50 33.17 3df4 n PRO 77 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3df4 n LEU 78 N 0.00 0.00 -4.52 2.45 4.32 -1.26 -4.52 117.00 113.47 3df4 n LEU 78 Ca 0.05 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.67 3df4 n LEU 78 Cb 0.21 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.89 3df4 n LEU 78 CO 0.14 0.00 2.12 0.00 -1.22 0.00 0.00 177.39 178.43 3df4 n ALA 79 N -3.00 0.51 -3.45 -1.18 0.00 -1.26 -4.84 120.51 107.29 3df4 n ALA 79 Ca 0.00 -0.56 -0.14 0.00 0.00 0.00 0.00 53.44 52.74 3df4 n ALA 79 Cb 0.00 -2.58 -0.08 0.00 0.00 0.00 0.00 19.45 16.79 3df4 n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3df4 s VAL 80 N 9.24 0.01 1.07 0.00 0.11 -1.26 -5.16 120.40 124.40 3df4 s VAL 80 Ca 1.24 -0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 60.08 3df4 s VAL 80 Cb -0.88 -0.80 0.13 0.00 -1.53 0.00 0.00 36.38 33.31 3df4 s VAL 80 CO 0.42 -0.03 0.43 0.54 -3.33 0.00 0.00 175.10 173.13 3df4 n ARG 81 N 2.32 -1.36 -4.13 1.54 3.00 -1.26 -5.01 116.66 111.75 3df4 n ARG 81 Ca -0.15 -0.37 -0.31 0.00 -0.01 0.00 0.00 57.85 57.01 3df4 n ARG 81 Cb 0.56 -1.90 -0.07 0.00 0.00 0.00 0.00 32.46 31.05 3df4 n ARG 81 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 3df4 s MET 82 N -3.81 2.84 -1.46 5.56 -1.94 -1.26 -4.56 119.30 114.68 3df4 s MET 82 Ca 0.60 -0.65 -0.12 0.00 -1.71 0.00 0.00 55.69 53.81 3df4 s MET 82 Cb -0.18 -2.71 0.05 0.00 2.01 0.00 0.00 34.83 34.00 3df4 s MET 82 CO 0.66 0.59 1.07 0.41 -0.01 0.00 0.00 175.02 177.74 3df4 n GLY 83 N 0.85 -0.52 1.54 -0.03 0.00 -1.26 -4.88 105.19 100.90 3df4 n GLY 83 Ca -0.11 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 3df4 n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df4 n LYS 84 N -4.82 2.18 0.00 1.61 4.76 -1.26 -5.02 118.16 115.61 3df4 n LYS 84 Ca 0.03 -3.30 0.00 0.00 -2.87 0.00 0.00 58.31 52.17 3df4 n LYS 84 Cb 0.54 -1.97 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 3df4 n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3df4 n GLY 85 N -1.06 3.28 3.48 0.72 0.00 -1.26 -5.07 105.19 105.27 3df4 n GLY 85 Ca 0.41 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 3df4 n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3df4 n LYS 86 N -0.83 -0.39 0.00 1.61 3.00 -1.26 -5.00 118.16 115.29 3df4 n LYS 86 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 3df4 n LYS 86 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 35.03 33.05 3df4 n LYS 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3df4 n GLY 87 N 1.20 -2.40 3.34 3.14 0.00 -1.26 -5.04 105.19 104.16 3df4 n GLY 87 Ca 0.08 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 3df4 n GLY 87 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3df4 s ASN 88 N -1.73 -0.55 -0.37 1.61 3.04 -1.12 -4.85 114.94 110.97 3df4 s ASN 88 Ca 0.00 1.04 -0.43 0.00 0.04 0.00 0.00 52.86 53.51 3df4 s ASN 88 Cb 0.00 1.05 -0.17 0.00 -1.54 0.00 0.00 41.25 40.59 3df4 s ASN 88 CO 0.00 -0.21 1.69 0.52 -3.04 0.00 0.00 177.10 176.06 3df4 n VAL 89 N 4.56 0.18 0.00 -5.21 0.31 -1.26 -3.16 118.33 113.76 3df4 n VAL 89 Ca -0.19 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3df4 n VAL 89 Cb 0.54 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 3df4 n VAL 89 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3df4 n GLU 90 N 4.83 0.00 0.00 5.55 4.07 -1.17 -4.98 120.64 128.94 3df4 n GLU 90 Ca 0.28 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 3df4 n GLU 90 Cb 0.05 -0.30 0.00 0.00 -0.06 0.00 0.00 31.44 31.13 3df4 n GLU 90 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 3df4 n TYR 91 N -2.49 0.00 -3.56 4.31 4.11 -1.26 -5.13 117.16 113.14 3df4 n TYR 91 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.90 57.71 3df4 n TYR 91 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.20 3df4 n TYR 91 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 3df4 s TRP 92 N 1.33 -0.17 0.27 -3.48 0.52 -1.26 -4.49 118.94 111.66 3df4 s TRP 92 Ca 0.00 0.24 -0.05 0.00 0.02 0.00 0.00 56.10 56.30 3df4 s TRP 92 Cb 0.00 -0.39 -0.05 0.00 -1.15 0.00 0.00 33.47 31.88 3df4 s TRP 92 CO 0.00 -0.50 0.53 0.54 0.02 0.00 0.00 176.95 177.54 3df4 s VAL 93 N 2.29 5.03 -0.39 4.03 0.11 -0.09 -2.64 120.40 128.74 3df4 s VAL 93 Ca 0.05 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.18 3df4 s VAL 93 Cb -0.15 -3.71 0.11 0.00 -1.53 0.00 0.00 36.38 31.10 3df4 s VAL 93 CO -0.10 -0.26 0.14 0.00 -3.33 0.00 0.00 175.10 171.55 3df4 s ALA 94 N -2.01 3.06 -0.08 1.54 0.00 0.45 -2.45 121.76 122.27 3df4 s ALA 94 Ca 0.44 -2.61 -0.29 0.00 0.00 0.00 0.00 51.96 49.49 3df4 s ALA 94 Cb -0.11 -2.19 -0.07 0.00 0.00 0.00 0.00 23.12 20.75 3df4 s ALA 94 CO 0.28 -1.77 2.09 1.28 0.00 0.00 0.00 175.76 177.64 3df4 n LEU 95 N 4.29 3.76 -4.26 0.00 4.32 -1.26 -0.35 117.00 123.50 3df4 n LEU 95 Ca 0.02 0.60 -0.15 0.00 -0.02 0.00 0.00 56.01 56.46 3df4 n LEU 95 Cb 0.41 -1.54 -0.10 0.00 -1.62 0.00 0.00 43.42 40.57 3df4 n LEU 95 CO 0.28 -0.19 -0.40 0.27 -1.22 0.00 0.00 177.39 176.13 3df4 s ILE 96 N 6.14 1.17 0.29 -0.08 -4.36 -1.17 -4.96 121.20 118.23 3df4 s ILE 96 Ca 0.94 -2.06 -0.04 0.00 -0.26 0.00 0.00 60.65 59.23 3df4 s ILE 96 Cb -0.40 -1.91 -0.01 0.00 1.25 0.00 0.00 42.46 41.39 3df4 s ILE 96 CO 0.39 -0.70 0.38 0.00 0.24 0.00 0.00 174.94 175.26 3df4 s GLN 97 N -3.76 1.65 0.08 0.37 0.00 -1.26 -4.02 119.66 112.72 3df4 s GLN 97 Ca 0.18 -1.63 -0.36 0.00 -0.00 0.00 0.00 55.36 53.55 3df4 s GLN 97 Cb 0.03 0.40 -0.18 0.00 0.00 0.00 0.00 33.01 33.26 3df4 s GLN 97 CO 0.02 -0.65 1.09 -2.30 0.00 0.00 0.00 175.29 173.44 3df4 n PRO 98 N -0.46 0.52 -2.08 9.60 -0.02 0.38 -3.56 135.00 139.38 3df4 n PRO 98 Ca 0.01 0.19 -0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3df4 n PRO 98 Cb 0.63 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 3df4 n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3df4 n GLY 99 N 1.91 -0.64 2.92 -1.23 0.00 -1.26 -1.44 105.19 105.45 3df4 n GLY 99 Ca 0.18 0.05 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 3df4 n GLY 99 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3df4 s LYS 100 N -3.01 1.19 -1.08 1.61 2.36 -1.23 -3.39 119.74 116.19 3df4 s LYS 100 Ca 0.00 -0.20 -0.23 0.00 -2.55 0.00 0.00 55.97 53.00 3df4 s LYS 100 Cb -0.00 -1.17 -0.11 0.00 -1.05 0.00 0.00 37.83 35.50 3df4 s LYS 100 CO 0.28 -0.12 1.93 1.55 1.55 0.00 0.00 175.35 180.54 3df4 n VAL 101 N 4.30 1.89 -0.03 4.02 3.14 0.13 -2.31 118.33 129.47 3df4 n VAL 101 Ca -0.19 -1.89 -0.11 0.00 -2.96 0.00 0.00 64.34 59.18 3df4 n VAL 101 Cb 0.51 -2.20 -0.05 0.00 -1.06 0.00 0.00 33.84 31.03 3df4 n VAL 101 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3df4 h LEU 102 N 16.78 0.19 0.00 6.55 3.38 -1.58 -3.28 115.31 137.35 3df4 h LEU 102 Ca 0.27 -0.11 -0.37 0.00 0.09 0.00 0.00 57.88 57.76 3df4 h LEU 102 Cb 0.87 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.47 3df4 h LEU 102 CO 1.41 0.25 -0.36 -1.22 0.09 0.00 0.00 178.44 178.61 3df4 n TYR 103 N -4.92 -0.63 -3.61 1.13 4.02 -1.23 -3.23 117.16 108.69 3df4 n TYR 103 Ca -0.05 -2.16 -0.12 0.00 -0.01 0.00 0.00 57.90 55.56 3df4 n TYR 103 Cb 0.09 0.23 -0.07 0.00 -0.02 0.00 0.00 39.34 39.57 3df4 n TYR 103 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3df4 s GLU 104 N -3.04 0.70 0.05 -0.72 2.02 -1.10 -3.09 118.70 113.53 3df4 s GLU 104 Ca 0.31 0.61 -0.02 0.00 0.02 0.00 0.00 54.97 55.89 3df4 s GLU 104 Cb 0.01 0.34 -0.03 0.00 0.10 0.00 0.00 34.13 34.55 3df4 s GLU 104 CO 0.22 -0.13 -0.00 -1.64 0.02 0.00 0.00 175.26 173.73 3df4 s MET 105 N -0.12 0.61 0.00 1.61 -1.94 -1.26 -0.90 119.30 117.30 3df4 s MET 105 Ca -0.01 -1.12 0.00 0.00 -1.71 0.00 0.00 55.69 52.85 3df4 s MET 105 Cb -0.04 0.22 0.00 0.00 2.01 0.00 0.00 34.83 37.02 3df4 s MET 105 CO -0.01 -0.12 0.00 -3.47 -0.01 0.00 0.00 175.02 171.41 3df4 n ASP 106 N 0.25 0.00 -0.82 3.03 2.03 -1.22 0.26 116.55 120.07 3df4 n ASP 106 Ca -0.15 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.15 3df4 n ASP 106 Cb 0.61 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.02 3df4 n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3df4 n GLY 107 N -0.57 1.85 3.22 0.27 0.00 -1.26 -4.80 105.19 103.90 3df4 n GLY 107 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 3df4 n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df4 s VAL 108 N -0.56 0.12 0.79 1.61 0.11 -1.26 -2.00 120.40 119.22 3df4 s VAL 108 Ca 0.02 -1.02 -0.16 0.00 -2.93 0.00 0.00 61.98 57.89 3df4 s VAL 108 Cb 0.02 -1.23 -0.06 0.00 -1.53 0.00 0.00 36.38 33.58 3df4 s VAL 108 CO 0.01 -0.56 0.18 -2.65 -3.33 0.00 0.00 175.10 168.74 3df4 n PRO 109 N 0.07 0.09 -0.01 1.54 -0.02 -1.26 -4.82 135.00 130.58 3df4 n PRO 109 Ca -0.16 0.06 -0.16 0.00 -2.02 0.00 0.00 63.50 61.22 3df4 n PRO 109 Cb 0.62 -1.58 -0.11 0.00 -0.02 0.00 0.00 33.50 32.40 3df4 n PRO 109 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3df4 h GLU 110 N -0.69 0.26 -0.04 -0.52 4.39 -2.00 -2.45 114.58 113.54 3df4 h GLU 110 Ca -0.44 -0.28 0.01 0.00 0.34 0.00 0.00 59.36 58.98 3df4 h GLU 110 Cb 1.34 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 30.07 3df4 h GLU 110 CO 0.37 1.00 0.06 1.49 -1.16 0.00 0.00 179.01 180.77 3df4 h GLU 111 N -0.37 0.00 0.03 2.33 4.57 -2.01 -2.60 114.58 116.53 3df4 h GLU 111 Ca -0.05 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.95 3df4 h GLU 111 Cb 1.15 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 3df4 h GLU 111 CO 0.08 0.00 -0.97 1.25 -1.18 0.00 0.00 179.01 178.19 3df4 h LEU 112 N 0.00 0.10 -1.96 1.64 7.12 -1.92 -3.31 115.31 116.98 3df4 h LEU 112 Ca 0.02 -0.73 0.35 0.00 0.13 0.00 0.00 57.88 57.65 3df4 h LEU 112 Cb 0.13 -0.03 -0.05 0.00 -0.53 0.00 0.00 40.66 40.18 3df4 h LEU 112 CO -0.00 1.40 0.88 0.00 -0.13 0.00 0.00 178.44 180.58 3df4 h ALA 113 N -0.25 3.11 0.57 1.25 0.00 -1.05 0.94 119.26 123.84 3df4 h ALA 113 Ca -0.25 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3df4 h ALA 113 Cb 1.34 0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.23 3df4 h ALA 113 CO -0.09 -1.47 -0.27 -0.09 0.00 0.00 0.00 179.25 177.33 3df4 h ARG 114 N 0.02 -0.74 -1.77 0.00 9.65 -1.62 -2.47 114.38 117.46 3df4 h ARG 114 Ca 0.59 0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 59.41 3df4 h ARG 114 Cb 2.31 0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 31.01 3df4 h ARG 114 CO -0.03 -0.49 0.14 -1.91 2.80 0.00 0.00 179.97 180.48 3df4 n GLU 115 N -4.63 1.27 0.00 0.20 0.00 0.14 -2.56 120.64 115.06 3df4 n GLU 115 Ca -0.10 -0.54 0.00 0.00 0.00 0.00 0.00 57.16 56.52 3df4 n GLU 115 Cb 0.30 -1.21 0.00 0.00 0.00 0.00 0.00 31.44 30.53 3df4 n GLU 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3df4 n ALA 116 N 1.03 2.10 0.03 4.31 0.00 -0.15 -4.68 120.51 123.15 3df4 n ALA 116 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.44 3df4 n ALA 116 Cb 0.54 0.37 -0.13 0.00 0.00 0.00 0.00 19.45 20.22 3df4 n ALA 116 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3df4 h PHE 117 N 0.00 0.11 -1.00 0.00 0.04 -1.34 -3.29 116.94 111.47 3df4 h PHE 117 Ca 0.00 -0.08 0.17 0.00 2.80 0.00 0.00 57.97 60.85 3df4 h PHE 117 Cb 0.73 -0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.78 3df4 h PHE 117 CO 0.00 1.11 0.62 -0.22 -0.60 0.00 0.00 178.31 179.21 3df4 h LYS 118 N 0.02 0.80 -1.78 1.51 3.64 -1.75 0.66 116.57 119.67 3df4 h LYS 118 Ca -0.19 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 58.95 3df4 h LYS 118 Cb 1.93 -0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 33.49 3df4 h LYS 118 CO 0.11 0.53 0.19 1.28 -2.27 0.00 0.00 179.45 179.30 3df4 n LEU 119 N -4.70 5.94 0.00 5.20 4.77 -1.24 -3.30 117.00 123.68 3df4 n LEU 119 Ca 0.22 -3.00 0.00 0.00 -0.03 0.00 0.00 56.01 53.20 3df4 n LEU 119 Cb 0.50 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 3df4 n LEU 119 CO 0.24 1.21 0.00 0.00 -1.33 0.00 0.00 177.39 177.51 3df4 n ALA 120 N 1.00 0.16 0.08 -1.18 0.00 0.15 -4.24 120.51 116.46 3df4 n ALA 120 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.69 3df4 n ALA 120 Cb 0.57 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.28 3df4 n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df4 n ALA 121 N -1.38 0.97 -0.07 0.00 0.00 0.18 -1.32 120.51 118.89 3df4 n ALA 121 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.43 3df4 n ALA 121 Cb 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 18.28 3df4 n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df4 h ALA 122 N 1.90 0.02 -0.11 0.00 0.00 -1.82 -3.25 119.26 116.00 3df4 h ALA 122 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.54 3df4 h ALA 122 Cb 0.06 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3df4 h ALA 122 CO 0.00 0.08 0.26 0.87 0.00 0.00 0.00 179.25 180.46 3df4 h LYS 123 N -1.00 0.00 -6.35 0.00 1.79 -1.56 -3.40 116.57 106.05 3df4 h LYS 123 Ca -0.03 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.90 3df4 h LYS 123 Cb 0.69 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.31 3df4 h LYS 123 CO -0.02 0.00 0.37 -0.51 -1.08 0.00 0.00 179.45 178.21 3df4 s LEU 124 N -6.55 4.35 0.42 2.94 1.43 -0.91 -4.91 118.68 115.45 3df4 s LEU 124 Ca -0.04 1.59 0.16 0.00 -1.03 0.00 0.00 54.13 54.81 3df4 s LEU 124 Cb 0.12 -3.52 0.92 0.00 0.03 0.00 0.00 46.19 43.75 3df4 s LEU 124 CO 0.41 -0.27 1.91 -0.65 0.23 0.00 0.00 176.35 177.97 3df4 h PRO 125 N 6.84 0.00 -6.68 1.29 0.11 -1.86 -3.44 132.00 128.27 3df4 h PRO 125 Ca -0.40 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.21 3df4 h PRO 125 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3df4 h PRO 125 CO 0.76 0.28 0.02 0.42 -0.21 0.00 0.00 178.00 179.27 3df4 s ILE 126 N -4.26 4.85 -0.83 4.15 1.09 -1.26 -5.02 121.20 119.92 3df4 s ILE 126 Ca -0.03 0.51 -0.23 0.00 -1.10 0.00 0.00 60.65 59.81 3df4 s ILE 126 Cb 0.14 -3.70 0.07 0.00 -1.06 0.00 0.00 42.46 37.92 3df4 s ILE 126 CO 0.69 -0.35 1.18 -1.59 -0.10 0.00 0.00 174.94 174.77 3df4 s LYS 127 N -3.48 3.36 0.38 2.79 -2.85 -1.26 -4.94 119.74 113.74 3df4 s LYS 127 Ca 0.49 -1.01 -0.00 0.00 -1.00 0.00 0.00 55.97 54.44 3df4 s LYS 127 Cb -0.11 -4.66 -0.03 0.00 -2.06 0.00 0.00 37.83 30.98 3df4 s LYS 127 CO 0.27 -1.97 0.60 0.95 0.10 0.00 0.00 175.35 175.31 3df4 s THR 128 N 4.28 4.93 0.32 3.79 -4.23 -1.21 -3.52 115.64 119.99 3df4 s THR 128 Ca 0.33 -0.36 0.03 0.00 -1.18 0.00 0.00 61.69 60.51 3df4 s THR 128 Cb -0.08 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 3df4 s THR 128 CO 0.01 -0.58 0.12 0.28 -0.54 0.00 0.00 174.62 173.91 3df4 s THR 129 N -2.42 0.62 0.19 3.99 -1.32 -1.04 -4.93 115.64 110.73 3df4 s THR 129 Ca 0.42 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.89 3df4 s THR 129 Cb -0.10 -2.57 -0.04 0.00 -1.51 0.00 0.00 72.50 68.28 3df4 s THR 129 CO 0.38 0.00 0.38 0.12 -2.21 0.00 0.00 174.62 173.29 3df4 s PHE 130 N -3.50 3.48 0.13 9.09 5.36 -1.26 -0.75 117.98 130.53 3df4 s PHE 130 Ca 0.34 0.36 0.01 0.00 -0.96 0.00 0.00 56.93 56.68 3df4 s PHE 130 Cb 0.06 -1.87 -0.00 0.00 -0.34 0.00 0.00 43.02 40.87 3df4 s PHE 130 CO 0.15 0.39 0.16 1.33 -1.46 0.00 0.00 175.22 175.79 3df4 n VAL 131 N -0.54 0.00 -4.41 3.12 0.24 -1.24 -4.87 118.33 110.63 3df4 n VAL 131 Ca -0.04 -0.75 -0.23 0.00 -2.04 0.00 0.00 64.34 61.28 3df4 n VAL 131 Cb 0.53 0.43 -0.07 0.00 -1.47 0.00 0.00 33.84 33.26 3df4 n VAL 131 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3df4 n THR 132 N -0.22 0.00 0.04 3.34 -2.24 -1.26 -4.36 114.28 109.58 3df4 n THR 132 Ca 0.01 -2.35 -0.02 0.00 -2.27 0.00 0.00 64.05 59.42 3df4 n THR 132 Cb 0.22 0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 69.41 3df4 n THR 132 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3df4 h LYS 133 N 0.00 -0.15 -3.60 -0.78 3.64 -1.80 -3.41 116.57 110.47 3df4 h LYS 133 Ca -0.28 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3df4 h LYS 133 Cb 1.18 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3df4 h LYS 133 CO 0.43 -0.10 -0.87 2.41 -2.27 0.00 0.00 179.45 179.05 3df4 n THR 134 N -3.55 -5.20 1.59 1.00 -1.04 -1.26 -4.59 114.28 101.23 3df4 n THR 134 Ca -0.02 2.33 0.00 0.00 -2.04 0.00 0.00 64.05 64.32 3df4 n THR 134 Cb 0.06 -3.20 0.00 0.00 -1.82 0.00 0.00 70.33 65.37 3df4 n THR 134 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3df4 n VAL 135 N -0.65 0.00 -0.22 12.58 0.31 -1.26 -5.03 118.33 124.06 3df4 n VAL 135 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3df4 n VAL 135 Cb 0.00 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 3df4 n VAL 135 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31