#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw4 n LEU 2 N 0.00 0.00 0.08 -0.89 4.77 -1.26 -4.38 117.00 115.32 2aw4 n LEU 2 Ca 0.00 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 2aw4 n LEU 2 Cb 0.00 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2aw4 n LEU 2 CO 0.00 -0.37 -0.06 0.00 -1.33 0.00 0.00 177.39 175.64 2aw4 n GLN 3 N -0.98 0.00 0.00 3.23 -0.00 -1.26 -4.85 117.38 113.52 2aw4 n GLN 3 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 2aw4 n GLN 3 Cb 0.27 -0.22 0.00 0.00 -0.00 0.00 0.00 30.24 30.29 2aw4 n GLN 3 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2aw4 n PRO 4 N -3.30 -1.47 -3.82 2.61 -0.01 -1.26 0.80 135.00 128.54 2aw4 n PRO 4 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 63.50 63.21 2aw4 n PRO 4 Cb 0.06 -1.97 0.00 0.00 -0.01 0.00 0.00 33.50 31.58 2aw4 n PRO 4 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 175.50 176.66 2aw4 n LYS 5 N 0.13 -1.32 -2.45 -0.52 0.00 -1.26 -4.59 118.16 108.15 2aw4 n LYS 5 Ca 0.00 0.66 -0.41 0.00 0.00 0.00 0.00 58.31 58.56 2aw4 n LYS 5 Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 35.03 32.55 2aw4 n LYS 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2aw4 s ARG 6 N -5.31 4.57 0.95 1.64 6.06 4.28 -4.94 118.95 126.19 2aw4 s ARG 6 Ca 0.09 1.80 -0.11 0.00 -2.50 0.00 0.00 55.73 55.01 2aw4 s ARG 6 Cb -0.05 -3.23 0.16 0.00 0.06 0.00 0.00 34.95 31.89 2aw4 s ARG 6 CO 0.90 0.06 1.09 0.99 -2.50 0.00 0.00 175.30 175.84 2aw4 s THR 7 N -0.48 2.45 -1.25 4.11 2.01 -1.26 -4.75 115.64 116.46 2aw4 s THR 7 Ca 0.49 0.15 -0.19 0.00 0.31 0.00 0.00 61.69 62.44 2aw4 s THR 7 Cb -0.31 -2.47 0.03 0.00 0.01 0.00 0.00 72.50 69.75 2aw4 s THR 7 CO 0.38 -0.19 1.77 -0.54 -0.69 0.00 0.00 174.62 175.35 2aw4 s LYS 8 N -4.79 3.59 0.99 4.92 -0.14 -1.26 -4.79 119.74 118.25 2aw4 s LYS 8 Ca 0.65 -1.73 0.00 0.00 -1.36 0.00 0.00 55.97 53.52 2aw4 s LYS 8 Cb -0.20 -5.45 0.00 0.00 -1.68 0.00 0.00 37.83 30.50 2aw4 s LYS 8 CO 0.59 -2.69 0.00 1.97 -0.76 0.00 0.00 175.35 174.46 2aw4 n PHE 9 N 9.94 0.00 0.00 3.18 -1.74 -1.26 -4.61 117.46 122.97 2aw4 n PHE 9 Ca 0.47 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.36 2aw4 n PHE 9 Cb 0.46 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.46 2aw4 n PHE 9 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2aw4 n ARG 10 N 14.00 3.02 0.00 3.97 5.12 -1.26 -5.09 116.66 136.42 2aw4 n ARG 10 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2aw4 n ARG 10 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2aw4 n ARG 10 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2aw4 n LYS 11 N 0.00 0.00 -2.81 5.56 0.00 -1.26 -4.99 118.16 114.65 2aw4 n LYS 11 Ca 0.00 0.02 -0.17 0.00 -0.00 0.00 0.00 58.31 58.16 2aw4 n LYS 11 Cb 0.00 -0.75 0.02 0.00 -0.00 0.00 0.00 35.03 34.29 2aw4 n LYS 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2aw4 n MET 12 N -0.28 -0.93 -0.82 -1.58 0.00 -1.26 -4.68 117.12 107.57 2aw4 n MET 12 Ca 0.00 0.88 0.11 0.00 0.00 0.00 0.00 57.70 58.70 2aw4 n MET 12 Cb 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 33.22 31.99 2aw4 n MET 12 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 2aw4 n HIS 13 N 0.42 -2.92 0.00 3.17 8.25 -1.26 -4.99 115.22 117.89 2aw4 n HIS 13 Ca -0.04 1.03 0.00 0.00 -0.26 0.00 0.00 57.72 58.45 2aw4 n HIS 13 Cb 0.48 -1.89 0.00 0.00 1.12 0.00 0.00 29.99 29.69 2aw4 n HIS 13 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2aw4 n LYS 14 N -2.86 0.00 0.00 -0.41 0.00 -1.26 -5.03 118.16 108.60 2aw4 n LYS 14 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 2aw4 n LYS 14 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.41 2aw4 n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2aw4 n GLY 15 N 0.00 4.07 0.84 2.58 0.00 -1.26 -5.00 105.19 106.42 2aw4 n GLY 15 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.69 2aw4 n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2aw4 n ARG 16 N 0.00 -2.13 0.00 1.61 0.63 -1.26 -4.80 116.66 110.71 2aw4 n ARG 16 Ca 0.00 1.67 0.00 0.00 -0.92 0.00 0.00 57.85 58.60 2aw4 n ARG 16 Cb 0.00 -2.17 0.00 0.00 0.45 0.00 0.00 32.46 30.74 2aw4 n ARG 16 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2aw4 n ASN 17 N -2.45 0.00 -1.19 6.15 4.13 -1.26 -5.02 115.26 115.63 2aw4 n ASN 17 Ca -0.02 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.23 2aw4 n ASN 17 Cb 0.30 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.54 2aw4 n ASN 17 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2aw4 n ARG 18 N 0.00 0.11 0.00 3.52 1.85 -1.26 -5.11 116.66 115.77 2aw4 n ARG 18 Ca 0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 57.85 56.60 2aw4 n ARG 18 Cb 0.00 0.29 0.00 0.00 -1.05 0.00 0.00 32.46 31.70 2aw4 n ARG 18 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2aw4 n GLY 19 N -0.06 3.97 3.59 2.89 0.00 -1.26 -5.18 105.19 109.15 2aw4 n GLY 19 Ca -0.01 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 2aw4 n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aw4 s LEU 20 N 0.00 2.30 0.00 0.99 1.43 -1.26 -5.10 118.68 117.04 2aw4 s LEU 20 Ca 0.00 -1.54 0.00 0.00 -1.03 0.00 0.00 54.13 51.56 2aw4 s LEU 20 Cb 0.00 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.71 2aw4 s LEU 20 CO 0.00 -0.74 0.00 0.00 0.23 0.00 0.00 176.35 175.84 2aw4 n ALA 21 N -0.97 0.00 -2.71 4.21 0.00 -1.26 -5.16 120.51 114.63 2aw4 n ALA 21 Ca -0.09 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 2aw4 n ALA 21 Cb 0.66 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.99 2aw4 n ALA 21 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2aw4 s GLN 22 N 0.98 0.79 0.92 0.00 -0.44 -1.26 -4.94 119.66 115.71 2aw4 s GLN 22 Ca 0.00 -0.74 -0.11 0.00 -2.50 0.00 0.00 55.36 52.01 2aw4 s GLN 22 Cb 0.00 -0.74 0.14 0.00 -1.64 0.00 0.00 33.01 30.77 2aw4 s GLN 22 CO 0.00 0.18 1.09 0.20 0.50 0.00 0.00 175.29 177.26 2aw4 s GLY 23 N -1.23 1.62 -0.05 2.59 0.00 -1.26 -4.86 107.32 104.13 2aw4 s GLY 23 Ca -0.01 0.02 0.24 0.00 0.00 0.00 0.00 44.72 44.98 2aw4 s GLY 23 CO 0.01 0.52 1.16 -0.37 0.00 0.00 0.00 173.10 174.42 2aw4 n THR 24 N -4.01 0.23 -3.99 0.90 5.66 -1.26 -4.93 114.28 106.88 2aw4 n THR 24 Ca 0.07 -1.31 -0.09 0.00 -3.05 0.00 0.00 64.05 59.66 2aw4 n THR 24 Cb 0.55 1.04 -0.06 0.00 -1.55 0.00 0.00 70.33 70.31 2aw4 n THR 24 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2aw4 s ASP 25 N -2.29 -0.08 0.00 1.09 1.11 -1.26 -5.11 116.67 110.14 2aw4 s ASP 25 Ca 0.31 -0.92 0.00 0.00 0.18 0.00 0.00 52.55 52.12 2aw4 s ASP 25 Cb 0.36 0.56 0.00 0.00 1.07 0.00 0.00 42.92 44.92 2aw4 s ASP 25 CO -0.14 -1.10 0.00 0.52 1.18 0.00 0.00 175.17 175.63 2aw4 n VAL 26 N -0.36 0.00 -3.98 -1.27 0.31 -1.26 -4.88 118.33 106.89 2aw4 n VAL 26 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.22 2aw4 n VAL 26 Cb 0.62 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.50 2aw4 n VAL 26 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2aw4 s SER 27 N 0.39 -0.10 0.00 4.52 0.15 -1.26 -4.93 113.70 112.47 2aw4 s SER 27 Ca 0.00 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.75 2aw4 s SER 27 Cb 0.00 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 2aw4 s SER 27 CO 0.00 -1.14 0.00 0.33 1.20 0.00 0.00 173.24 173.63 2aw4 n PHE 28 N -0.38 -0.00 0.00 3.44 -0.00 -1.26 -5.08 117.46 114.18 2aw4 n PHE 28 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 2aw4 n PHE 28 Cb 0.62 0.11 0.00 0.00 -0.00 0.00 0.00 39.48 40.21 2aw4 n PHE 28 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2aw4 n GLY 29 N 1.49 0.12 2.07 7.13 0.00 -1.26 -5.10 105.19 109.64 2aw4 n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2aw4 n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2aw4 n SER 30 N 0.00 -1.29 -4.88 1.61 3.41 -1.26 -4.88 113.62 106.32 2aw4 n SER 30 Ca 0.00 0.44 -0.34 0.00 -0.26 0.00 0.00 58.87 58.71 2aw4 n SER 30 Cb 0.00 1.37 -0.05 0.00 -0.26 0.00 0.00 64.21 65.26 2aw4 n SER 30 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2aw4 s PHE 31 N -1.61 3.56 0.17 7.33 2.19 -1.26 -4.00 117.98 124.35 2aw4 s PHE 31 Ca 0.00 0.65 0.01 0.00 0.33 0.00 0.00 56.93 57.92 2aw4 s PHE 31 Cb 0.00 -2.05 -0.05 0.00 -1.31 0.00 0.00 43.02 39.61 2aw4 s PHE 31 CO 0.00 0.54 0.02 0.20 1.83 0.00 0.00 175.22 177.81 2aw4 s GLY 32 N -1.89 1.22 -0.50 13.12 0.00 -1.19 -3.65 107.32 114.43 2aw4 s GLY 32 Ca 0.33 -1.59 0.03 0.00 0.00 0.00 0.00 44.72 43.49 2aw4 s GLY 32 CO 0.19 -1.51 0.32 -2.27 0.00 0.00 0.00 173.10 169.83 2aw4 s LEU 33 N -3.16 3.04 0.46 0.66 0.20 -1.26 -4.14 118.68 114.48 2aw4 s LEU 33 Ca 0.25 -3.02 -0.24 0.00 0.69 0.00 0.00 54.13 51.81 2aw4 s LEU 33 Cb 0.06 -1.10 -0.08 0.00 -0.43 0.00 0.00 46.19 44.65 2aw4 s LEU 33 CO 0.04 -0.20 1.35 0.29 -0.29 0.00 0.00 176.35 177.54 2aw4 n LYS 34 N 3.02 2.00 0.00 1.98 4.76 -0.97 -2.26 118.16 126.68 2aw4 n LYS 34 Ca 0.15 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 56.30 2aw4 n LYS 34 Cb 0.37 -2.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.04 2aw4 n LYS 34 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2aw4 n ALA 35 N -0.41 -0.02 -1.58 7.82 0.00 -1.17 -3.16 120.51 121.98 2aw4 n ALA 35 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2aw4 n ALA 35 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2aw4 n ALA 35 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2aw4 n VAL 36 N -0.66 -5.19 -1.43 0.00 0.24 -1.23 -3.86 118.33 106.19 2aw4 n VAL 36 Ca 0.00 2.35 -0.00 0.00 -2.04 0.00 0.00 64.34 64.65 2aw4 n VAL 36 Cb 0.00 -3.26 -0.00 0.00 -1.47 0.00 0.00 33.84 29.11 2aw4 n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aw4 n GLY 37 N -0.98 -3.66 3.68 7.63 0.00 -1.26 -4.66 105.19 105.94 2aw4 n GLY 37 Ca 0.00 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 2aw4 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aw4 s ARG 38 N -1.54 1.28 0.00 1.61 0.52 -1.00 -4.69 118.95 115.13 2aw4 s ARG 38 Ca -0.01 1.67 0.00 0.00 -0.52 0.00 0.00 55.73 56.87 2aw4 s ARG 38 Cb 0.00 -1.74 0.00 0.00 0.52 0.00 0.00 34.95 33.73 2aw4 s ARG 38 CO 0.02 -2.47 0.00 0.41 0.02 0.00 0.00 175.30 173.29 2aw4 n GLY 39 N 0.40 -0.55 3.55 -3.53 0.00 -0.31 -5.00 105.19 99.75 2aw4 n GLY 39 Ca 0.13 -0.81 -0.07 0.00 0.00 0.00 0.00 46.02 45.27 2aw4 n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2aw4 s ARG 40 N -1.04 0.61 0.33 1.61 1.70 -1.26 -2.49 118.95 118.42 2aw4 s ARG 40 Ca 0.00 1.16 -0.27 0.00 -0.47 0.00 0.00 55.73 56.14 2aw4 s ARG 40 Cb 0.00 0.20 -0.09 0.00 -0.57 0.00 0.00 34.95 34.49 2aw4 s ARG 40 CO 0.00 -0.16 1.12 -0.51 -1.08 0.00 0.00 175.30 174.67 2aw4 s LEU 41 N 1.77 4.39 0.00 -1.89 1.43 -0.71 -4.81 118.68 118.86 2aw4 s LEU 41 Ca -0.09 2.28 0.09 0.00 -1.03 0.00 0.00 54.13 55.38 2aw4 s LEU 41 Cb -0.07 -3.82 0.55 0.00 0.03 0.00 0.00 46.19 42.88 2aw4 s LEU 41 CO -0.18 -0.35 1.15 1.07 0.23 0.00 0.00 176.35 178.26 2aw4 n THR 42 N 0.68 0.00 0.00 5.49 5.66 -1.26 -0.71 114.28 124.13 2aw4 n THR 42 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2aw4 n THR 42 Cb 0.46 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 2aw4 n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2aw4 n ALA 43 N -0.69 0.00 0.29 1.79 0.00 -1.22 -4.19 120.51 116.48 2aw4 n ALA 43 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.61 2aw4 n ALA 43 Cb 0.03 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.04 2aw4 n ALA 43 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2aw4 h ARG 44 N 0.00 0.00 -0.09 0.00 2.43 -1.84 0.39 114.38 115.27 2aw4 h ARG 44 Ca 0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2aw4 h ARG 44 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2aw4 h ARG 44 CO 0.00 0.00 -0.25 1.96 -1.51 0.00 0.00 179.97 180.17 2aw4 h GLN 45 N 0.00 0.33 -0.86 0.20 1.08 -1.93 -2.66 115.11 111.27 2aw4 h GLN 45 Ca 0.00 -0.23 0.17 0.00 -1.45 0.00 0.00 58.65 57.13 2aw4 h GLN 45 Cb 0.90 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 28.30 2aw4 h GLN 45 CO 0.00 0.85 0.57 0.82 -0.95 0.00 0.00 178.83 180.12 2aw4 h ILE 46 N -0.13 0.76 -0.42 2.54 2.04 -0.57 1.64 117.51 123.36 2aw4 h ILE 46 Ca -0.01 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 2aw4 h ILE 46 Cb 0.87 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2aw4 h ILE 46 CO 0.05 0.09 -0.10 -0.08 0.00 0.00 0.00 178.15 178.12 2aw4 h GLU 47 N 0.52 0.82 -0.16 2.37 4.57 -1.46 -1.21 114.58 120.02 2aw4 h GLU 47 Ca 0.44 -0.31 -0.13 0.00 -1.18 0.00 0.00 59.36 58.18 2aw4 h GLU 47 Cb 0.93 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 2aw4 h GLU 47 CO -0.18 0.93 -0.47 0.00 -1.18 0.00 0.00 179.01 178.12 2aw4 h ALA 48 N 0.86 0.89 -0.46 2.92 0.00 0.16 0.11 119.26 123.74 2aw4 h ALA 48 Ca 0.11 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2aw4 h ALA 48 Cb 0.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2aw4 h ALA 48 CO 0.04 0.65 0.05 0.00 0.00 0.00 0.00 179.25 179.99 2aw4 h ALA 49 N 1.17 0.61 -0.00 0.00 0.00 0.24 -2.84 119.26 118.44 2aw4 h ALA 49 Ca 0.02 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2aw4 h ALA 49 Cb 0.95 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2aw4 h ALA 49 CO 0.08 0.36 -0.22 -0.09 0.00 0.00 0.00 179.25 179.39 2aw4 h ARG 50 N 0.64 0.16 -0.18 0.00 9.65 -1.14 -2.80 114.38 120.71 2aw4 h ARG 50 Ca 0.14 -0.16 0.05 0.00 -1.10 0.00 0.00 59.98 58.90 2aw4 h ARG 50 Cb 0.43 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 2aw4 h ARG 50 CO 0.01 0.90 0.42 0.00 2.80 0.00 0.00 179.97 184.11 2aw4 h ARG 51 N -0.52 0.00 0.00 0.20 3.08 -0.81 0.41 114.38 116.74 2aw4 h ARG 51 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2aw4 h ARG 51 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2aw4 h ARG 51 CO 0.04 0.00 -1.15 0.00 -1.07 0.00 0.00 179.97 177.79 2aw4 n ALA 52 N -2.05 4.39 0.81 0.04 0.00 -1.07 -4.41 120.51 118.22 2aw4 n ALA 52 Ca 0.02 -0.58 -0.00 0.00 0.00 0.00 0.00 53.44 52.88 2aw4 n ALA 52 Cb 0.52 -0.75 0.03 0.00 0.00 0.00 0.00 19.45 19.25 2aw4 n ALA 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2aw4 n MET 53 N -1.62 1.27 -3.04 0.00 1.56 0.14 -4.45 117.12 110.98 2aw4 n MET 53 Ca 0.03 -0.29 0.03 0.00 -0.27 0.00 0.00 57.70 57.20 2aw4 n MET 53 Cb 0.36 -1.39 -0.00 0.00 2.15 0.00 0.00 33.22 34.34 2aw4 n MET 53 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 2aw4 s THR 54 N -0.83 -0.56 0.13 1.12 -4.23 -1.26 -5.04 115.64 104.97 2aw4 s THR 54 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2aw4 s THR 54 Cb 0.04 -0.24 0.00 0.00 1.34 0.00 0.00 72.50 73.64 2aw4 s THR 54 CO 0.01 0.00 0.00 -1.14 -0.54 0.00 0.00 174.62 172.95 2aw4 n ARG 55 N 4.54 0.00 0.09 3.99 0.00 -1.26 -4.94 116.66 119.08 2aw4 n ARG 55 Ca 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.88 2aw4 n ARG 55 Cb 0.59 -0.39 -0.02 0.00 0.00 0.00 0.00 32.46 32.64 2aw4 n ARG 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2aw4 h ALA 56 N 0.00 -0.36 -2.72 5.13 0.00 -1.97 -3.45 119.26 115.89 2aw4 h ALA 56 Ca 0.00 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 54.31 2aw4 h ALA 56 Cb 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2aw4 h ALA 56 CO 0.00 -0.33 0.17 0.08 0.00 0.00 0.00 179.25 179.16 2aw4 s VAL 57 N -2.52 4.42 1.00 0.00 1.01 -1.26 -5.05 120.40 118.01 2aw4 s VAL 57 Ca -0.04 1.67 -0.17 0.00 0.00 0.00 0.00 61.98 63.44 2aw4 s VAL 57 Cb 0.00 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.33 2aw4 s VAL 57 CO 0.13 0.51 -0.16 0.29 0.00 0.00 0.00 175.10 175.87 2aw4 n LYS 58 N 1.70 -1.47 0.00 2.72 5.02 -1.26 -4.65 118.16 120.21 2aw4 n LYS 58 Ca -0.06 -0.43 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 2aw4 n LYS 58 Cb 0.49 -1.42 0.01 0.00 -0.02 0.00 0.00 35.03 34.09 2aw4 n LYS 58 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2aw4 n ARG 59 N -0.79 0.06 -1.41 1.97 3.00 -1.26 -4.78 116.66 113.44 2aw4 n ARG 59 Ca 0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 57.85 57.49 2aw4 n ARG 59 Cb 0.49 -1.10 0.06 0.00 0.00 0.00 0.00 32.46 31.91 2aw4 n ARG 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2aw4 n GLN 60 N -0.60 0.51 0.00 5.56 1.13 -1.26 -4.74 117.38 117.97 2aw4 n GLN 60 Ca 0.00 0.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 2aw4 n GLN 60 Cb 0.00 -1.92 0.00 0.00 0.11 0.00 0.00 30.24 28.43 2aw4 n GLN 60 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2aw4 n GLY 61 N 1.54 -1.33 3.38 1.08 0.00 -1.26 -4.84 105.19 103.74 2aw4 n GLY 61 Ca 0.12 -1.42 -0.45 0.00 0.00 0.00 0.00 46.02 44.27 2aw4 n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aw4 s LYS 62 N -4.08 3.10 -0.09 1.61 3.01 -0.57 -4.90 119.74 117.83 2aw4 s LYS 62 Ca 0.00 -1.40 -0.28 0.00 -1.01 0.00 0.00 55.97 53.29 2aw4 s LYS 62 Cb 0.00 -4.31 -0.02 0.00 -1.01 0.00 0.00 37.83 32.49 2aw4 s LYS 62 CO 0.00 -1.55 0.91 -1.50 0.51 0.00 0.00 175.35 173.72 2aw4 s ILE 63 N 2.58 4.87 -0.15 2.17 1.10 -1.25 -1.05 121.20 129.47 2aw4 s ILE 63 Ca 0.13 1.86 -0.04 0.00 -0.51 0.00 0.00 60.65 62.09 2aw4 s ILE 63 Cb -0.22 -4.23 0.07 0.00 0.15 0.00 0.00 42.46 38.23 2aw4 s ILE 63 CO 0.05 0.08 0.20 0.86 -2.11 0.00 0.00 174.94 174.02 2aw4 s TRP 64 N 1.62 -0.24 -0.05 3.50 -0.00 0.19 -4.94 118.94 119.01 2aw4 s TRP 64 Ca 0.45 0.43 0.03 0.00 -0.00 0.00 0.00 56.10 57.01 2aw4 s TRP 64 Cb -0.18 -0.30 -0.03 0.00 -0.00 0.00 0.00 33.47 32.96 2aw4 s TRP 64 CO 0.19 -0.46 -0.13 0.96 -0.00 0.00 0.00 176.95 177.51 2aw4 s ILE 65 N 2.32 3.21 -0.38 5.86 -4.36 -1.26 0.21 121.20 126.80 2aw4 s ILE 65 Ca 0.05 -0.70 0.01 0.00 -0.26 0.00 0.00 60.65 59.74 2aw4 s ILE 65 Cb -0.14 -2.28 0.13 0.00 1.25 0.00 0.00 42.46 41.42 2aw4 s ILE 65 CO -0.09 0.57 0.20 0.00 0.24 0.00 0.00 174.94 175.85 2aw4 s ARG 66 N -0.82 0.91 -0.24 0.37 1.70 -1.25 0.42 118.95 120.03 2aw4 s ARG 66 Ca 0.12 -1.56 -0.13 0.00 -0.47 0.00 0.00 55.73 53.69 2aw4 s ARG 66 Cb -0.11 -1.91 0.07 0.00 -0.57 0.00 0.00 34.95 32.43 2aw4 s ARG 66 CO 0.01 -1.13 0.59 0.54 -1.08 0.00 0.00 175.30 174.23 2aw4 s VAL 67 N 0.89 -0.04 -0.14 4.99 0.11 -1.26 -4.74 120.40 120.21 2aw4 s VAL 67 Ca 0.16 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.26 2aw4 s VAL 67 Cb -0.22 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 2aw4 s VAL 67 CO -0.06 0.01 -0.19 -0.36 -3.33 0.00 0.00 175.10 171.18 2aw4 s PHE 68 N 1.60 2.71 0.00 1.54 0.08 -1.26 -4.31 117.98 118.34 2aw4 s PHE 68 Ca -0.10 -1.13 0.00 0.00 0.12 0.00 0.00 56.93 55.82 2aw4 s PHE 68 Cb -0.06 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 2aw4 s PHE 68 CO -0.17 -0.50 0.00 -0.35 -0.10 0.00 0.00 175.22 174.09 2aw4 n PRO 69 N 3.96 0.00 -1.18 0.24 -0.04 -1.26 -4.85 135.00 131.87 2aw4 n PRO 69 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2aw4 n PRO 69 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 2aw4 n PRO 69 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2aw4 n ASP 70 N 0.00 -1.57 0.00 3.54 2.03 -1.26 -4.79 116.55 114.50 2aw4 n ASP 70 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2aw4 n ASP 70 Cb 0.00 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 2aw4 n ASP 70 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2aw4 n LYS 71 N 0.02 0.00 -0.70 -0.67 -0.00 -1.26 -4.85 118.16 110.70 2aw4 n LYS 71 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 2aw4 n LYS 71 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.04 2aw4 n LYS 71 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2aw4 n PRO 72 N 0.00 0.00 0.00 -1.58 -0.02 -1.26 -4.10 135.00 128.04 2aw4 n PRO 72 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2aw4 n PRO 72 Cb 0.00 -0.56 -0.00 0.00 -0.02 0.00 0.00 33.50 32.92 2aw4 n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2aw4 n ILE 73 N -0.86 0.06 0.00 4.25 -0.00 -1.26 -4.77 119.36 116.78 2aw4 n ILE 73 Ca 0.04 0.03 0.00 0.00 -0.00 0.00 0.00 62.75 62.82 2aw4 n ILE 73 Cb 0.27 -1.04 0.00 0.00 -0.00 0.00 0.00 39.64 38.86 2aw4 n ILE 73 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 2aw4 n THR 74 N -2.55 -0.50 -4.02 1.39 -1.04 -1.23 -4.92 114.28 101.42 2aw4 n THR 74 Ca -0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2aw4 n THR 74 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 2aw4 n THR 74 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2aw4 n GLU 75 N -1.03 0.50 -4.65 -2.82 1.02 -1.24 -4.97 120.64 107.45 2aw4 n GLU 75 Ca 0.00 -2.33 -0.22 0.00 -0.02 0.00 0.00 57.16 54.59 2aw4 n GLU 75 Cb 0.00 2.16 -0.15 0.00 -0.02 0.00 0.00 31.44 33.42 2aw4 n GLU 75 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2aw4 s LYS 76 N -2.74 1.15 0.00 3.49 -0.14 -1.26 -3.46 119.74 116.78 2aw4 s LYS 76 Ca 0.25 -0.51 0.00 0.00 -1.36 0.00 0.00 55.97 54.35 2aw4 s LYS 76 Cb -0.00 -1.11 0.00 0.00 -1.68 0.00 0.00 37.83 35.03 2aw4 s LYS 76 CO 0.18 0.31 0.00 -2.30 -0.76 0.00 0.00 175.35 172.78 2aw4 n PRO 77 N 2.72 1.70 -1.61 -1.68 -0.02 -1.26 -4.76 135.00 130.09 2aw4 n PRO 77 Ca -0.14 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 60.97 2aw4 n PRO 77 Cb 0.55 0.00 0.06 0.00 -0.02 0.00 0.00 33.50 34.09 2aw4 n PRO 77 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2aw4 n LEU 78 N 0.00 7.57 -4.79 2.45 4.77 -1.26 -4.98 117.00 120.76 2aw4 n LEU 78 Ca 0.00 -4.55 -0.23 0.00 -0.03 0.00 0.00 56.01 51.20 2aw4 n LEU 78 Cb 0.00 -1.01 -0.06 0.00 -2.33 0.00 0.00 43.42 40.03 2aw4 n LEU 78 CO 0.00 1.62 -0.11 0.00 -1.33 0.00 0.00 177.39 177.57 2aw4 s ALA 79 N -3.93 3.75 0.00 -1.18 0.00 -1.26 -5.12 121.76 114.01 2aw4 s ALA 79 Ca 0.59 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2aw4 s ALA 79 Cb 0.48 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.93 2aw4 s ALA 79 CO -0.19 -0.16 0.00 0.28 0.00 0.00 0.00 175.76 175.69 2aw4 n VAL 80 N -1.34 0.00 -2.67 0.00 0.31 -1.26 -5.01 118.33 108.36 2aw4 n VAL 80 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2aw4 n VAL 80 Cb 0.63 -0.41 0.02 0.00 -0.91 0.00 0.00 33.84 33.17 2aw4 n VAL 80 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2aw4 s ARG 81 N 0.00 0.05 -0.02 5.55 1.70 -1.26 -4.96 118.95 120.01 2aw4 s ARG 81 Ca 0.00 -0.03 0.06 0.00 -0.47 0.00 0.00 55.73 55.29 2aw4 s ARG 81 Cb 0.00 0.00 0.22 0.00 -0.57 0.00 0.00 34.95 34.60 2aw4 s ARG 81 CO 0.00 -0.07 1.09 -1.33 -1.08 0.00 0.00 175.30 173.91 2aw4 n MET 82 N 3.17 1.74 -3.37 3.89 2.81 -1.26 -4.89 117.12 119.21 2aw4 n MET 82 Ca 0.07 -0.88 -0.23 0.00 -1.81 0.00 0.00 57.70 54.85 2aw4 n MET 82 Cb 0.65 -1.34 -0.01 0.00 -0.71 0.00 0.00 33.22 31.81 2aw4 n MET 82 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2aw4 n GLY 83 N 0.67 -0.48 0.06 3.03 0.00 -1.26 -4.86 105.19 102.36 2aw4 n GLY 83 Ca 0.08 0.08 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 2aw4 n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aw4 n LYS 84 N -3.63 0.36 0.00 1.61 5.02 -1.26 -5.12 118.16 115.14 2aw4 n LYS 84 Ca -0.01 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2aw4 n LYS 84 Cb 0.53 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 2aw4 n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aw4 n GLY 85 N 1.49 0.94 0.00 0.72 0.00 -1.26 -5.10 105.19 101.98 2aw4 n GLY 85 Ca -0.09 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2aw4 n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aw4 n LYS 86 N 2.98 1.38 -0.29 1.61 4.01 -1.22 -4.95 118.16 121.68 2aw4 n LYS 86 Ca 0.00 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.60 2aw4 n LYS 86 Cb 0.00 0.00 0.19 0.00 -0.51 0.00 0.00 35.03 34.71 2aw4 n LYS 86 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2aw4 n GLY 87 N 1.34 -3.03 0.00 0.72 0.00 -1.26 -4.65 105.19 98.31 2aw4 n GLY 87 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2aw4 n GLY 87 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2aw4 n ASN 88 N -3.58 0.00 -0.56 1.61 5.03 -1.26 -3.69 115.26 112.82 2aw4 n ASN 88 Ca 0.09 0.03 -0.05 0.00 0.87 0.00 0.00 54.58 55.51 2aw4 n ASN 88 Cb 0.39 -0.47 -0.02 0.00 -1.02 0.00 0.00 39.78 38.65 2aw4 n ASN 88 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 2aw4 n VAL 89 N -2.42 0.00 0.01 2.41 3.14 -1.26 -3.48 118.33 116.73 2aw4 n VAL 89 Ca 0.00 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2aw4 n VAL 89 Cb 0.00 -0.89 -0.00 0.00 -1.06 0.00 0.00 33.84 31.89 2aw4 n VAL 89 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2aw4 n GLU 90 N -0.37 0.01 -2.32 1.45 2.13 -1.26 -5.07 120.64 115.21 2aw4 n GLU 90 Ca -0.05 0.01 -0.00 0.00 0.66 0.00 0.00 57.16 57.77 2aw4 n GLU 90 Cb 0.37 -0.21 -0.00 0.00 0.27 0.00 0.00 31.44 31.86 2aw4 n GLU 90 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2aw4 n TYR 91 N -2.86 -2.77 -3.62 4.31 4.02 -1.26 -4.72 117.16 110.26 2aw4 n TYR 91 Ca -0.00 1.26 -0.39 0.00 -0.01 0.00 0.00 57.90 58.75 2aw4 n TYR 91 Cb 0.01 -3.22 -0.09 0.00 -0.02 0.00 0.00 39.34 36.02 2aw4 n TYR 91 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2aw4 s TRP 92 N -1.07 3.48 0.42 -0.72 0.51 -1.26 -3.44 118.94 116.86 2aw4 s TRP 92 Ca -0.01 -2.08 -0.26 0.00 -2.12 0.00 0.00 56.10 51.62 2aw4 s TRP 92 Cb 0.00 -3.41 -0.10 0.00 -0.81 0.00 0.00 33.47 29.15 2aw4 s TRP 92 CO 0.54 -0.98 1.35 1.33 -0.51 0.00 0.00 176.95 178.68 2aw4 n VAL 93 N 4.73 2.52 -2.76 4.03 0.24 0.11 -4.74 118.33 122.46 2aw4 n VAL 93 Ca -0.05 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.33 2aw4 n VAL 93 Cb 0.41 -1.71 -0.03 0.00 -1.47 0.00 0.00 33.84 31.04 2aw4 n VAL 93 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2aw4 s ALA 94 N -1.18 3.43 -0.18 2.33 0.00 -1.26 -1.74 121.76 123.16 2aw4 s ALA 94 Ca 0.60 0.27 -0.05 0.00 0.00 0.00 0.00 51.96 52.78 2aw4 s ALA 94 Cb -0.49 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 19.33 2aw4 s ALA 94 CO 0.59 -0.60 0.08 -0.51 0.00 0.00 0.00 175.76 175.33 2aw4 s LEU 95 N 2.00 0.50 -0.06 0.00 1.43 -1.04 -4.91 118.68 116.60 2aw4 s LEU 95 Ca 0.45 -0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2aw4 s LEU 95 Cb -0.18 -0.31 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 2aw4 s LEU 95 CO 0.16 -0.35 -0.05 -0.29 0.23 0.00 0.00 176.35 176.06 2aw4 h ILE 96 N 6.43 0.00 0.00 -0.59 -0.00 -1.89 -0.82 117.51 120.64 2aw4 h ILE 96 Ca -0.16 -0.50 -0.06 0.00 -0.00 0.00 0.00 64.86 64.14 2aw4 h ILE 96 Cb 1.13 0.00 -0.06 0.00 -0.00 0.00 0.00 36.82 37.89 2aw4 h ILE 96 CO 0.31 0.00 -0.13 0.00 -0.00 0.00 0.00 178.15 178.33 2aw4 n GLN 97 N -3.42 0.00 0.00 2.19 6.02 -1.26 -2.37 117.38 118.55 2aw4 n GLN 97 Ca -0.02 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 56.51 2aw4 n GLN 97 Cb 0.07 0.31 0.00 0.00 1.02 0.00 0.00 30.24 31.64 2aw4 n GLN 97 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2aw4 n PRO 98 N 0.00 0.00 0.00 -1.09 -0.04 -1.26 -3.57 135.00 129.04 2aw4 n PRO 98 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2aw4 n PRO 98 Cb 0.50 -0.36 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 2aw4 n PRO 98 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2aw4 n GLY 99 N 0.00 3.04 3.32 0.55 0.00 -1.26 -3.06 105.19 107.77 2aw4 n GLY 99 Ca 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 2aw4 n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aw4 s LYS 100 N -3.06 0.47 -0.24 1.61 0.00 -0.96 -4.77 119.74 112.79 2aw4 s LYS 100 Ca 0.00 1.10 -0.28 0.00 0.00 0.00 0.00 55.97 56.79 2aw4 s LYS 100 Cb 0.00 0.44 0.15 0.00 0.00 0.00 0.00 37.83 38.43 2aw4 s LYS 100 CO 0.00 -0.38 1.18 0.14 0.00 0.00 0.00 175.35 176.29 2aw4 s VAL 101 N 2.76 0.00 -0.04 1.79 -7.23 -1.26 -3.95 120.40 112.47 2aw4 s VAL 101 Ca 0.04 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.19 2aw4 s VAL 101 Cb -0.13 -1.00 0.03 0.00 0.56 0.00 0.00 36.38 35.83 2aw4 s VAL 101 CO -0.17 0.00 0.08 -0.76 -0.31 0.00 0.00 175.10 173.94 2aw4 s LEU 102 N -0.60 1.13 -0.55 1.32 1.02 0.57 -3.96 118.68 117.62 2aw4 s LEU 102 Ca 0.04 0.16 0.07 0.00 0.02 0.00 0.00 54.13 54.42 2aw4 s LEU 102 Cb -0.02 0.18 0.28 0.00 0.02 0.00 0.00 46.19 46.64 2aw4 s LEU 102 CO -0.06 -0.11 0.75 0.00 0.02 0.00 0.00 176.35 176.95 2aw4 n TYR 103 N 3.87 2.58 -1.54 0.29 9.36 -1.24 -0.64 117.16 129.84 2aw4 n TYR 103 Ca -0.23 -3.97 -0.20 0.00 3.32 0.00 0.00 57.90 56.82 2aw4 n TYR 103 Cb 0.53 -0.49 -0.12 0.00 -0.63 0.00 0.00 39.34 38.64 2aw4 n TYR 103 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2aw4 n GLU 104 N 0.65 0.41 0.00 2.98 4.71 -0.21 -4.56 120.64 124.62 2aw4 n GLU 104 Ca 0.28 -0.45 0.00 0.00 -0.01 0.00 0.00 57.16 56.98 2aw4 n GLU 104 Cb 0.46 -2.73 0.00 0.00 -1.01 0.00 0.00 31.44 28.16 2aw4 n GLU 104 CO 0.00 0.00 0.00 -0.12 0.09 0.00 0.00 177.13 177.10 2aw4 n MET 105 N 7.83 0.00 -2.32 3.49 0.00 -1.26 -1.51 117.12 123.35 2aw4 n MET 105 Ca 0.53 0.00 -0.42 0.00 -0.00 0.00 0.00 57.70 57.82 2aw4 n MET 105 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.52 2aw4 n MET 105 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 2aw4 s ASP 106 N 0.00 6.99 0.00 6.12 1.47 -1.26 -4.91 116.67 125.07 2aw4 s ASP 106 Ca 0.00 2.20 0.00 0.00 1.18 0.00 0.00 52.55 55.93 2aw4 s ASP 106 Cb 0.00 -2.59 0.00 0.00 -0.34 0.00 0.00 42.92 39.99 2aw4 s ASP 106 CO 0.00 -0.51 0.00 0.61 0.68 0.00 0.00 175.17 175.95 2aw4 n GLY 107 N 2.98 -0.54 0.29 2.12 0.00 -1.26 -5.02 105.19 103.76 2aw4 n GLY 107 Ca 0.08 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.43 2aw4 n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2aw4 n VAL 108 N 3.59 0.00 0.00 1.61 0.24 -1.26 -4.90 118.33 117.60 2aw4 n VAL 108 Ca 0.00 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2aw4 n VAL 108 Cb 0.00 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 2aw4 n VAL 108 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2aw4 n PRO 109 N -0.60 0.00 -0.02 7.34 -0.02 -1.26 -3.41 135.00 137.03 2aw4 n PRO 109 Ca 0.09 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.56 2aw4 n PRO 109 Cb 0.40 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.87 2aw4 n PRO 109 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2aw4 h GLU 110 N 0.00 -0.01 0.00 -0.52 5.08 -1.97 1.63 114.58 118.78 2aw4 h GLU 110 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2aw4 h GLU 110 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2aw4 h GLU 110 CO 0.00 -0.01 0.00 0.39 -1.00 0.00 0.00 179.01 178.39 2aw4 n GLU 111 N -3.05 0.07 -0.09 2.33 1.02 -1.22 -1.08 120.64 118.62 2aw4 n GLU 111 Ca -0.00 0.53 -0.18 0.00 -0.02 0.00 0.00 57.16 57.50 2aw4 n GLU 111 Cb 0.02 -1.72 -0.11 0.00 -0.02 0.00 0.00 31.44 29.61 2aw4 n GLU 111 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2aw4 h LEU 112 N 0.00 0.00 -0.17 -4.62 4.07 0.43 -3.29 115.31 111.74 2aw4 h LEU 112 Ca 0.00 -0.64 -0.23 0.00 0.08 0.00 0.00 57.88 57.09 2aw4 h LEU 112 Cb 0.05 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.80 2aw4 h LEU 112 CO 0.00 1.25 -0.87 0.00 -1.08 0.00 0.00 178.44 177.74 2aw4 h ALA 113 N -0.36 0.33 0.00 1.53 0.00 0.23 -2.80 119.26 118.19 2aw4 h ALA 113 Ca -0.20 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2aw4 h ALA 113 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2aw4 h ALA 113 CO -0.12 0.73 0.00 0.00 0.00 0.00 0.00 179.25 179.85 2aw4 h ARG 114 N 0.39 0.00 0.00 0.00 2.47 -1.28 0.52 114.38 116.48 2aw4 h ARG 114 Ca -0.07 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 2aw4 h ARG 114 Cb 1.50 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.82 2aw4 h ARG 114 CO 0.17 0.00 -0.10 1.49 0.56 0.00 0.00 179.97 182.09 2aw4 h GLU 115 N 0.00 0.00 0.00 0.04 4.57 -1.56 -2.93 114.58 114.71 2aw4 h GLU 115 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2aw4 h GLU 115 Cb 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2aw4 h GLU 115 CO 0.00 0.10 -0.80 0.00 -1.18 0.00 0.00 179.01 177.13 2aw4 n ALA 116 N -2.17 3.64 -0.36 2.92 0.00 0.18 -4.60 120.51 120.11 2aw4 n ALA 116 Ca -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.03 2aw4 n ALA 116 Cb 0.31 -0.50 0.12 0.00 0.00 0.00 0.00 19.45 19.37 2aw4 n ALA 116 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2aw4 h PHE 117 N 0.00 1.24 -0.20 0.00 -5.15 -1.19 -1.63 116.94 110.01 2aw4 h PHE 117 Ca 0.00 0.02 0.06 0.00 -0.20 0.00 0.00 57.97 57.85 2aw4 h PHE 117 Cb 0.37 -0.42 -0.01 0.00 0.22 0.00 0.00 35.95 36.12 2aw4 h PHE 117 CO 0.00 0.79 0.24 -0.22 -2.00 0.00 0.00 178.31 177.12 2aw4 h LYS 118 N 1.33 0.00 -0.08 6.09 1.63 -1.81 0.62 116.57 124.35 2aw4 h LYS 118 Ca 0.36 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.97 2aw4 h LYS 118 Cb -0.13 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.49 2aw4 h LYS 118 CO -0.07 0.00 -0.74 -0.07 -3.45 0.00 0.00 179.45 175.12 2aw4 h LEU 119 N 0.00 0.49 -9.41 5.20 -0.00 -1.61 -3.45 115.31 106.53 2aw4 h LEU 119 Ca 0.09 -0.32 -0.34 0.00 -0.00 0.00 0.00 57.88 57.31 2aw4 h LEU 119 Cb 0.57 -0.14 0.18 0.00 -0.00 0.00 0.00 40.66 41.27 2aw4 h LEU 119 CO -0.00 1.07 -0.60 0.00 -0.00 0.00 0.00 178.44 178.91 2aw4 n ALA 120 N -2.51 -2.69 0.04 1.53 0.00 0.22 -4.94 120.51 112.16 2aw4 n ALA 120 Ca -0.04 -1.26 -0.11 0.00 0.00 0.00 0.00 53.44 52.03 2aw4 n ALA 120 Cb 0.71 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.80 2aw4 n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 h ALA 121 N -2.56 0.42 -3.17 0.00 0.00 -1.88 -3.49 119.26 108.58 2aw4 h ALA 121 Ca -0.39 -1.11 -0.11 0.00 0.00 0.00 0.00 54.91 53.30 2aw4 h ALA 121 Cb 1.08 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2aw4 h ALA 121 CO 0.26 1.29 -0.06 0.00 0.00 0.00 0.00 179.25 180.74 2aw4 n ALA 122 N -2.51 -0.10 -1.74 0.00 0.00 -1.26 -5.09 120.51 109.81 2aw4 n ALA 122 Ca -0.10 -0.62 -0.35 0.00 0.00 0.00 0.00 53.44 52.37 2aw4 n ALA 122 Cb 1.00 0.50 0.01 0.00 0.00 0.00 0.00 19.45 20.97 2aw4 n ALA 122 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2aw4 s LYS 123 N -2.32 3.27 -0.30 0.00 2.20 -1.26 -4.96 119.74 116.37 2aw4 s LYS 123 Ca 0.11 1.60 -0.08 0.00 -0.36 0.00 0.00 55.97 57.24 2aw4 s LYS 123 Cb -0.00 -2.00 0.18 0.00 -1.51 0.00 0.00 37.83 34.50 2aw4 s LYS 123 CO 0.08 -0.91 0.82 -0.48 -0.36 0.00 0.00 175.35 174.50 2aw4 s LEU 124 N -3.94 -0.92 0.00 5.43 2.34 -1.25 -4.63 118.68 115.72 2aw4 s LEU 124 Ca 0.72 0.66 -0.10 0.00 0.06 0.00 0.00 54.13 55.48 2aw4 s LEU 124 Cb -0.24 1.80 0.15 0.00 -0.56 0.00 0.00 46.19 47.34 2aw4 s LEU 124 CO 0.29 -0.17 0.38 -2.65 -1.06 0.00 0.00 176.35 173.14 2aw4 n PRO 125 N 5.41 -2.78 0.00 1.48 -0.02 -1.19 -4.79 135.00 133.11 2aw4 n PRO 125 Ca -0.05 -0.63 0.00 0.00 -2.02 0.00 0.00 63.50 60.80 2aw4 n PRO 125 Cb 0.52 -0.74 0.00 0.00 -0.02 0.00 0.00 33.50 33.26 2aw4 n PRO 125 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2aw4 n ILE 126 N -3.94 0.00 -1.17 4.25 -5.35 -1.26 -2.29 119.36 109.59 2aw4 n ILE 126 Ca 0.06 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 2aw4 n ILE 126 Cb 0.24 -0.47 0.00 0.00 -1.74 0.00 0.00 39.64 37.67 2aw4 n ILE 126 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2aw4 n LYS 127 N -0.47 -3.31 -3.43 6.28 4.76 -1.26 -2.39 118.16 118.34 2aw4 n LYS 127 Ca 0.00 2.41 -0.14 0.00 -2.87 0.00 0.00 58.31 57.71 2aw4 n LYS 127 Cb 0.00 -2.67 -0.11 0.00 -1.84 0.00 0.00 35.03 30.41 2aw4 n LYS 127 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2aw4 s THR 128 N -2.04 -0.44 -0.59 -0.18 -4.23 -1.26 -3.16 115.64 103.73 2aw4 s THR 128 Ca 0.00 -0.13 -0.19 0.00 -1.18 0.00 0.00 61.69 60.18 2aw4 s THR 128 Cb 0.00 -0.76 0.10 0.00 1.34 0.00 0.00 72.50 73.18 2aw4 s THR 128 CO 0.00 -0.20 0.72 -0.89 -0.54 0.00 0.00 174.62 173.71 2aw4 s THR 129 N 2.42 4.79 0.59 3.99 2.01 -1.26 -4.86 115.64 123.32 2aw4 s THR 129 Ca 0.09 -0.94 0.29 0.00 0.31 0.00 0.00 61.69 61.44 2aw4 s THR 129 Cb -0.15 -4.50 0.38 0.00 0.01 0.00 0.00 72.50 68.24 2aw4 s THR 129 CO -0.16 -1.14 1.94 2.19 -0.69 0.00 0.00 174.62 176.76 2aw4 h PHE 130 N 9.21 0.00 0.00 4.92 -0.00 -1.92 -3.44 116.94 125.71 2aw4 h PHE 130 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.68 2aw4 h PHE 130 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.04 2aw4 h PHE 130 CO 0.84 0.00 0.00 1.33 -0.00 0.00 0.00 178.31 180.48 2aw4 n VAL 131 N -3.77 0.00 -0.56 0.88 0.24 -1.26 -4.74 118.33 109.12 2aw4 n VAL 131 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 2aw4 n VAL 131 Cb 0.60 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2aw4 n VAL 131 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2aw4 n THR 132 N 0.00 0.00 0.16 3.34 5.66 -1.26 -4.90 114.28 117.27 2aw4 n THR 132 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 2aw4 n THR 132 Cb 0.00 0.07 0.08 0.00 -1.55 0.00 0.00 70.33 68.93 2aw4 n THR 132 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2aw4 n LYS 133 N 0.00 0.08 0.24 1.09 0.00 -1.26 -2.54 118.16 115.77 2aw4 n LYS 133 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 58.31 58.15 2aw4 n LYS 133 Cb 0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 35.03 33.45 2aw4 n LYS 133 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2aw4 h THR 134 N 0.00 0.19 -3.32 3.15 1.35 -2.02 -3.41 112.91 108.85 2aw4 h THR 134 Ca 0.00 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 65.20 2aw4 h THR 134 Cb 0.00 0.19 -0.29 0.00 -1.73 0.00 0.00 68.15 66.32 2aw4 h THR 134 CO 0.00 0.00 -0.80 0.68 -0.25 0.00 0.00 175.52 175.15 2aw4 s VAL 135 N -5.96 2.75 -2.00 6.82 -7.23 -1.05 -5.29 120.40 108.44 2aw4 s VAL 135 Ca -0.17 -0.76 0.09 0.00 -1.81 0.00 0.00 61.98 59.32 2aw4 s VAL 135 Cb 0.05 -2.14 0.26 0.00 0.56 0.00 0.00 36.38 35.11 2aw4 s VAL 135 CO 0.62 0.53 0.99 0.23 -0.31 0.00 0.00 175.10 177.16