#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq s LEU 2 N 0.00 2.16 0.07 4.03 1.02 -1.26 -5.08 118.68 119.61 2wwq s LEU 2 Ca 0.00 -0.58 -0.27 0.00 0.02 0.00 0.00 54.13 53.30 2wwq s LEU 2 Cb 0.00 -1.46 0.09 0.00 0.02 0.00 0.00 46.19 44.85 2wwq s LEU 2 CO 0.00 0.09 1.15 0.00 0.02 0.00 0.00 176.35 177.61 2wwq s GLN 3 N 0.74 0.78 0.02 1.70 0.00 -1.26 -4.80 119.66 116.84 2wwq s GLN 3 Ca -0.09 -0.45 -0.30 0.00 -0.00 0.00 0.00 55.36 54.52 2wwq s GLN 3 Cb -0.16 0.25 -0.09 0.00 0.00 0.00 0.00 33.01 33.02 2wwq s GLN 3 CO -0.00 -0.36 2.00 -2.30 0.00 0.00 0.00 175.29 174.63 2wwq n PRO 4 N -0.55 2.81 -0.12 9.60 -0.02 -1.26 -4.92 135.00 140.55 2wwq n PRO 4 Ca -0.06 1.02 -0.11 0.00 -2.02 0.00 0.00 63.50 62.32 2wwq n PRO 4 Cb 0.61 -3.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.03 2wwq n PRO 4 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wwq h LYS 5 N 11.01 0.68 -4.40 -0.52 1.57 -2.01 -3.32 116.57 119.58 2wwq h LYS 5 Ca -0.49 -0.26 -0.73 0.00 -1.87 0.00 0.00 60.65 57.30 2wwq h LYS 5 Cb 1.24 -0.04 -0.24 0.00 0.08 0.00 0.00 32.23 33.27 2wwq h LYS 5 CO 0.94 0.84 -0.40 0.50 -0.57 0.00 0.00 179.45 180.76 2wwq s ARG 6 N -4.77 2.85 0.05 3.15 3.52 -1.26 -5.09 118.95 117.40 2wwq s ARG 6 Ca -0.13 -1.32 -0.31 0.00 -0.13 0.00 0.00 55.73 53.84 2wwq s ARG 6 Cb 0.09 -3.97 -0.07 0.00 -1.56 0.00 0.00 34.95 29.44 2wwq s ARG 6 CO 0.80 -0.94 1.49 0.95 -0.81 0.00 0.00 175.30 176.79 2wwq s THR 7 N 1.57 3.35 0.30 4.11 -4.23 -1.25 -4.93 115.64 114.56 2wwq s THR 7 Ca 0.04 0.82 -0.00 0.00 -1.18 0.00 0.00 61.69 61.37 2wwq s THR 7 Cb -0.23 -3.53 0.27 0.00 1.34 0.00 0.00 72.50 70.36 2wwq s THR 7 CO 0.06 0.01 1.93 0.50 -0.54 0.00 0.00 174.62 176.58 2wwq h LYS 8 N 7.75 1.03 -2.82 3.99 3.64 -1.98 -3.46 116.57 124.73 2wwq h LYS 8 Ca -0.40 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 58.97 2wwq h LYS 8 Cb 1.19 -0.23 -0.10 0.00 -0.41 0.00 0.00 32.23 32.68 2wwq h LYS 8 CO 0.91 0.68 0.29 -0.06 -2.27 0.00 0.00 179.45 179.00 2wwq s PHE 9 N -5.91 -0.35 -0.16 1.91 0.08 -1.26 -5.09 117.98 107.20 2wwq s PHE 9 Ca -0.11 0.05 -0.20 0.00 0.12 0.00 0.00 56.93 56.79 2wwq s PHE 9 Cb 0.19 0.62 -0.23 0.00 -0.57 0.00 0.00 43.02 43.03 2wwq s PHE 9 CO 0.80 -0.94 0.42 0.00 -0.10 0.00 0.00 175.22 175.40 2wwq h ARG 10 N 2.00 0.10 -5.48 0.44 -0.00 -2.03 -3.49 114.38 105.92 2wwq h ARG 10 Ca -0.26 -0.17 -0.56 0.00 -0.50 0.00 0.00 59.98 58.50 2wwq h ARG 10 Cb 1.27 0.06 -0.13 0.00 0.00 0.00 0.00 29.97 31.17 2wwq h ARG 10 CO 0.30 1.08 -0.61 0.15 0.00 0.00 0.00 179.97 180.89 2wwq s LYS 11 N -2.39 1.81 0.31 0.04 1.02 -1.26 -4.86 119.74 114.41 2wwq s LYS 11 Ca -0.24 -2.01 -0.19 0.00 0.02 0.00 0.00 55.97 53.55 2wwq s LYS 11 Cb 0.04 -1.29 0.05 0.00 -0.52 0.00 0.00 37.83 36.11 2wwq s LYS 11 CO 0.68 -0.10 0.82 -1.64 -0.92 0.00 0.00 175.35 174.19 2wwq s MET 12 N -3.79 1.90 0.64 1.68 -1.94 -1.26 -4.96 119.30 111.58 2wwq s MET 12 Ca 0.35 -1.17 0.01 0.00 -1.71 0.00 0.00 55.69 53.17 2wwq s MET 12 Cb 0.09 0.57 0.09 0.00 2.01 0.00 0.00 34.83 37.58 2wwq s MET 12 CO 0.17 -0.88 0.89 -1.01 -0.01 0.00 0.00 175.02 174.17 2wwq s HIS 13 N -2.78 2.08 0.15 -0.03 0.09 -1.26 -4.75 115.29 108.79 2wwq s HIS 13 Ca 0.15 -0.20 -0.22 0.00 -0.00 0.00 0.00 55.06 54.79 2wwq s HIS 13 Cb -0.05 -2.84 0.03 0.00 -0.00 0.00 0.00 32.58 29.72 2wwq s HIS 13 CO 0.09 -1.34 1.64 -0.22 -0.00 0.00 0.00 174.74 174.91 2wwq h LYS 14 N -0.24 -0.20 -0.41 1.40 1.63 -2.04 -3.46 116.57 113.26 2wwq h LYS 14 Ca -0.38 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.48 2wwq h LYS 14 Cb 1.28 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.94 2wwq h LYS 14 CO 0.45 -0.13 -0.12 0.41 -3.45 0.00 0.00 179.45 176.61 2wwq n GLY 15 N -1.35 -2.28 3.08 5.01 0.00 -1.26 -5.04 105.19 103.34 2wwq n GLY 15 Ca -0.01 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 2wwq n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wwq s ARG 16 N -2.52 0.57 0.17 1.61 1.81 -1.26 -5.13 118.95 114.20 2wwq s ARG 16 Ca 0.00 -0.86 -0.10 0.00 -1.72 0.00 0.00 55.73 53.06 2wwq s ARG 16 Cb 0.00 -0.24 -0.07 0.00 -0.45 0.00 0.00 34.95 34.19 2wwq s ARG 16 CO 0.00 0.03 0.49 -0.80 -0.68 0.00 0.00 175.30 174.34 2wwq s ASN 17 N -1.85 6.64 0.00 0.23 0.01 -1.26 -4.92 114.94 113.78 2wwq s ASN 17 Ca -0.06 0.86 0.00 0.00 -0.71 0.00 0.00 52.86 52.95 2wwq s ASN 17 Cb -0.07 -2.20 0.00 0.00 0.41 0.00 0.00 41.25 39.39 2wwq s ASN 17 CO -0.01 0.03 0.31 0.54 -1.51 0.00 0.00 177.10 176.46 2wwq n ARG 18 N 0.28 -0.32 0.00 -0.60 5.12 -1.26 -5.15 116.66 114.73 2wwq n ARG 18 Ca -0.03 -0.33 0.00 0.00 -1.93 0.00 0.00 57.85 55.56 2wwq n ARG 18 Cb 0.52 -0.76 0.00 0.00 -1.16 0.00 0.00 32.46 31.06 2wwq n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wwq n GLY 19 N -0.03 -0.42 1.38 -0.13 0.00 -1.26 -5.05 105.19 99.68 2wwq n GLY 19 Ca 0.00 -0.96 0.16 0.00 0.00 0.00 0.00 46.02 45.22 2wwq n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wwq n LEU 20 N 0.00 0.00 0.00 0.99 4.77 -1.25 -4.89 117.00 116.62 2wwq n LEU 20 Ca 0.00 1.24 -0.08 0.00 -0.03 0.00 0.00 56.01 57.14 2wwq n LEU 20 Cb 0.00 -3.48 -0.01 0.00 -2.33 0.00 0.00 43.42 37.61 2wwq n LEU 20 CO 0.00 -2.31 0.19 0.00 -1.33 0.00 0.00 177.39 173.94 2wwq n ALA 21 N -1.99 -0.53 -0.65 -1.18 0.00 -1.25 -4.43 120.51 110.49 2wwq n ALA 21 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.48 2wwq n ALA 21 Cb 0.52 0.78 0.00 0.00 0.00 0.00 0.00 19.45 20.75 2wwq n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwq n GLN 22 N -0.36 0.20 -3.39 0.00 -0.00 -1.26 -5.00 117.38 107.57 2wwq n GLN 22 Ca -0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 57.00 56.54 2wwq n GLN 22 Cb 0.38 -0.02 -0.02 0.00 -0.00 0.00 0.00 30.24 30.58 2wwq n GLN 22 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2wwq s GLY 23 N 0.00 2.87 -0.00 2.61 0.00 -1.26 -4.85 107.32 106.68 2wwq s GLY 23 Ca 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 44.72 41.19 2wwq s GLY 23 CO 0.00 1.26 0.60 -1.30 0.00 0.00 0.00 173.10 173.66 2wwq n THR 24 N 3.38 0.05 -3.76 0.90 -2.24 -1.26 -3.10 114.28 108.25 2wwq n THR 24 Ca 0.17 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.77 2wwq n THR 24 Cb 0.43 0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 69.45 2wwq n THR 24 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wwq s ASP 25 N -0.21 -0.34 0.26 3.42 2.15 -1.26 -4.98 116.67 115.71 2wwq s ASP 25 Ca 0.00 0.66 -0.26 0.00 0.43 0.00 0.00 52.55 53.38 2wwq s ASP 25 Cb 0.00 0.67 -0.09 0.00 -0.30 0.00 0.00 42.92 43.20 2wwq s ASP 25 CO 0.00 -0.12 0.89 0.68 -0.17 0.00 0.00 175.17 176.45 2wwq s VAL 26 N 0.15 4.24 0.00 1.11 -7.23 -1.26 -4.94 120.40 112.46 2wwq s VAL 26 Ca -0.00 1.82 0.00 0.00 -1.81 0.00 0.00 61.98 61.99 2wwq s VAL 26 Cb -0.02 -4.11 0.00 0.00 0.56 0.00 0.00 36.38 32.80 2wwq s VAL 26 CO 0.01 0.33 0.06 -1.20 -0.31 0.00 0.00 175.10 173.98 2wwq n SER 27 N 1.04 0.12 0.00 4.85 7.64 -1.26 -4.76 113.62 121.25 2wwq n SER 27 Ca -0.01 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.19 2wwq n SER 27 Cb 0.49 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2wwq n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2wwq n PHE 28 N -0.07 0.00 -1.17 1.43 3.72 -1.26 -5.10 117.46 115.02 2wwq n PHE 28 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 2wwq n PHE 28 Cb 0.13 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 38.82 2wwq n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wwq n GLY 29 N 2.13 -2.14 0.00 1.37 0.00 -1.26 -4.92 105.19 100.36 2wwq n GLY 29 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2wwq n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wwq n SER 30 N -3.96 0.00 -4.06 1.61 3.41 -0.50 -4.93 113.62 105.18 2wwq n SER 30 Ca 0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.62 2wwq n SER 30 Cb 0.39 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.25 2wwq n SER 30 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2wwq s PHE 31 N 0.00 0.60 0.11 7.33 0.40 -0.40 -0.88 117.98 125.15 2wwq s PHE 31 Ca 0.00 -1.02 -0.25 0.00 -0.60 0.00 0.00 56.93 55.06 2wwq s PHE 31 Cb 0.00 -0.32 0.08 0.00 0.51 0.00 0.00 43.02 43.30 2wwq s PHE 31 CO 0.00 -0.54 1.10 0.20 0.70 0.00 0.00 175.22 176.68 2wwq s GLY 32 N -2.98 -0.10 -0.08 4.36 0.00 -1.17 -1.71 107.32 105.65 2wwq s GLY 32 Ca 0.17 0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.92 2wwq s GLY 32 CO -0.03 1.88 -0.17 1.08 0.00 0.00 0.00 173.10 175.86 2wwq s LEU 33 N -3.28 1.83 0.54 0.66 1.43 -1.22 -0.83 118.68 117.82 2wwq s LEU 33 Ca 0.19 -0.40 0.09 0.00 -1.03 0.00 0.00 54.13 52.98 2wwq s LEU 33 Cb -0.01 -1.06 0.07 0.00 0.03 0.00 0.00 46.19 45.22 2wwq s LEU 33 CO 0.02 0.09 0.73 -1.59 0.23 0.00 0.00 176.35 175.83 2wwq s LYS 34 N 0.51 2.41 0.18 1.70 -2.85 -0.85 -0.54 119.74 120.30 2wwq s LYS 34 Ca -0.16 -1.57 0.02 0.00 -1.00 0.00 0.00 55.97 53.26 2wwq s LYS 34 Cb -0.17 -2.65 -0.04 0.00 -2.06 0.00 0.00 37.83 32.92 2wwq s LYS 34 CO 0.06 -0.73 0.33 0.00 0.10 0.00 0.00 175.35 175.11 2wwq s ALA 35 N -2.61 3.93 -0.09 0.59 0.00 -0.50 -3.68 121.76 119.40 2wwq s ALA 35 Ca 0.59 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.53 2wwq s ALA 35 Cb -0.06 -1.82 0.02 0.00 0.00 0.00 0.00 23.12 21.26 2wwq s ALA 35 CO 0.37 0.44 -0.11 0.08 0.00 0.00 0.00 175.76 176.55 2wwq s VAL 36 N -1.83 1.14 0.00 0.00 1.01 -0.74 -1.59 120.40 118.39 2wwq s VAL 36 Ca 0.35 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2wwq s VAL 36 Cb -0.11 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.19 2wwq s VAL 36 CO 0.29 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.37 2wwq n GLY 37 N 4.34 -2.95 3.27 4.51 0.00 -1.26 -3.68 105.19 109.42 2wwq n GLY 37 Ca -0.18 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 2wwq n GLY 37 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wwq s ARG 38 N -0.74 0.91 0.00 1.61 1.70 -1.26 -2.68 118.95 118.48 2wwq s ARG 38 Ca 0.00 -0.64 0.00 0.00 -0.47 0.00 0.00 55.73 54.62 2wwq s ARG 38 Cb 0.00 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 2wwq s ARG 38 CO 0.00 -0.31 0.00 0.41 -1.08 0.00 0.00 175.30 174.32 2wwq n GLY 39 N 0.20 -0.42 3.14 3.88 0.00 -1.16 -4.96 105.19 105.87 2wwq n GLY 39 Ca -0.17 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 2wwq n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wwq s ARG 40 N -2.00 0.30 -0.22 1.61 0.52 -1.26 -2.97 118.95 114.93 2wwq s ARG 40 Ca 0.00 0.34 -0.14 0.00 -0.52 0.00 0.00 55.73 55.40 2wwq s ARG 40 Cb 0.00 0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.57 2wwq s ARG 40 CO 0.00 -0.04 0.33 -0.51 0.02 0.00 0.00 175.30 175.10 2wwq s LEU 41 N 0.10 4.13 0.00 2.53 1.43 -1.08 -4.84 118.68 120.96 2wwq s LEU 41 Ca -0.00 0.39 0.29 0.00 -1.03 0.00 0.00 54.13 53.77 2wwq s LEU 41 Cb -0.02 -2.40 1.18 0.00 0.03 0.00 0.00 46.19 44.98 2wwq s LEU 41 CO 0.00 -0.05 1.82 0.35 0.23 0.00 0.00 176.35 178.70 2wwq n THR 42 N 4.38 0.00 0.00 5.49 -2.24 -1.26 -1.69 114.28 118.96 2wwq n THR 42 Ca -0.10 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2wwq n THR 42 Cb 0.51 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 2wwq n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wwq n ALA 43 N -0.19 0.00 0.57 6.98 0.00 -1.26 -4.36 120.51 122.25 2wwq n ALA 43 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.72 2wwq n ALA 43 Cb 0.31 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.14 2wwq n ALA 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wwq n ARG 44 N -1.68 0.03 -0.07 0.00 1.74 -1.26 -1.40 116.66 114.02 2wwq n ARG 44 Ca 0.00 0.23 -0.22 0.00 -0.77 0.00 0.00 57.85 57.09 2wwq n ARG 44 Cb 0.00 -1.56 -0.12 0.00 -1.02 0.00 0.00 32.46 29.76 2wwq n ARG 44 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2wwq h GLN 45 N 0.00 0.07 -0.68 5.56 4.20 -1.85 -2.80 115.11 119.62 2wwq h GLN 45 Ca 0.00 -0.13 0.12 0.00 0.06 0.00 0.00 58.65 58.70 2wwq h GLN 45 Cb 0.32 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 2wwq h GLN 45 CO 0.00 1.06 0.46 0.82 -0.67 0.00 0.00 178.83 180.50 2wwq h ILE 46 N -0.71 0.85 0.10 2.54 2.04 -1.86 -2.43 117.51 118.05 2wwq h ILE 46 Ca -0.36 -0.15 -0.14 0.00 1.00 0.00 0.00 64.86 65.21 2wwq h ILE 46 Cb 1.50 0.39 0.02 0.00 -0.74 0.00 0.00 36.82 37.98 2wwq h ILE 46 CO -0.13 0.08 -0.62 -0.08 0.00 0.00 0.00 178.15 177.40 2wwq h GLU 47 N 0.43 0.24 -0.36 2.37 4.81 -1.32 -1.39 114.58 119.35 2wwq h GLU 47 Ca 0.32 -0.40 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2wwq h GLU 47 Cb 0.68 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 2wwq h GLU 47 CO -0.10 1.18 0.24 0.00 -0.73 0.00 0.00 179.01 179.61 2wwq h ALA 48 N 0.07 1.95 0.02 2.92 0.00 -1.49 -2.78 119.26 119.95 2wwq h ALA 48 Ca -0.11 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2wwq h ALA 48 Cb 1.49 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.21 2wwq h ALA 48 CO 0.12 -0.01 -0.48 0.00 0.00 0.00 0.00 179.25 178.87 2wwq h ALA 49 N 1.80 0.04 0.03 0.00 0.00 -0.99 -1.74 119.26 118.40 2wwq h ALA 49 Ca 0.15 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.53 2wwq h ALA 49 Cb 0.23 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2wwq h ALA 49 CO -0.03 0.25 -0.10 -0.09 0.00 0.00 0.00 179.25 179.28 2wwq h ARG 50 N -0.31 -0.18 -0.12 0.00 2.43 -1.22 -2.06 114.38 112.92 2wwq h ARG 50 Ca -0.07 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2wwq h ARG 50 Cb 1.24 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.80 2wwq h ARG 50 CO 0.09 -0.12 -0.23 0.00 -1.51 0.00 0.00 179.97 178.20 2wwq h ARG 51 N -0.19 -0.20 -0.63 0.20 2.47 -1.57 -2.75 114.38 111.71 2wwq h ARG 51 Ca 0.03 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.84 2wwq h ARG 51 Cb 0.22 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.52 2wwq h ARG 51 CO -0.08 -0.13 0.30 0.00 0.56 0.00 0.00 179.97 180.61 2wwq h ALA 52 N -0.85 0.83 -0.01 0.04 0.00 -1.13 -2.50 119.26 115.64 2wwq h ALA 52 Ca 0.02 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2wwq h ALA 52 Cb 0.27 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2wwq h ALA 52 CO -0.22 -0.09 -0.40 0.52 0.00 0.00 0.00 179.25 179.06 2wwq h MET 53 N 0.53 -0.53 0.22 0.00 2.86 -1.29 -3.26 114.93 113.46 2wwq h MET 53 Ca 0.30 0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.99 2wwq h MET 53 Cb 0.29 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 2wwq h MET 53 CO -0.24 -0.35 -0.48 1.79 1.06 0.00 0.00 176.91 178.68 2wwq h THR 54 N -0.55 0.07 -0.18 2.22 1.35 -1.15 -2.52 112.91 112.14 2wwq h THR 54 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.91 2wwq h THR 54 Cb 0.64 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.12 2wwq h THR 54 CO -0.31 0.00 0.06 0.54 -0.25 0.00 0.00 175.52 175.56 2wwq n ARG 55 N -5.50 0.28 0.00 4.72 1.74 -1.10 -2.71 116.66 114.09 2wwq n ARG 55 Ca -0.09 -1.30 0.00 0.00 -0.77 0.00 0.00 57.85 55.70 2wwq n ARG 55 Cb 0.41 -3.74 0.00 0.00 -1.02 0.00 0.00 32.46 28.11 2wwq n ARG 55 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wwq n ALA 56 N 19.00 0.00 0.51 7.54 0.00 -0.96 -4.84 120.51 141.76 2wwq n ALA 56 Ca 0.43 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.99 2wwq n ALA 56 Cb 0.45 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.36 2wwq n ALA 56 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wwq n VAL 57 N 0.00 0.72 -0.89 0.00 0.24 -1.13 -5.00 118.33 112.27 2wwq n VAL 57 Ca 0.00 0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2wwq n VAL 57 Cb 0.00 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 2wwq n VAL 57 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2wwq n LYS 58 N -2.16 0.00 -0.61 7.34 4.76 -1.10 -2.92 118.16 123.47 2wwq n LYS 58 Ca 0.04 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.54 2wwq n LYS 58 Cb 0.30 0.00 0.30 0.00 -1.84 0.00 0.00 35.03 33.79 2wwq n LYS 58 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wwq n ARG 59 N 11.25 3.64 -3.96 1.97 5.12 -1.26 -4.75 116.66 128.66 2wwq n ARG 59 Ca 0.00 -2.37 -0.29 0.00 -1.93 0.00 0.00 57.85 53.26 2wwq n ARG 59 Cb 0.00 -1.95 -0.04 0.00 -1.16 0.00 0.00 32.46 29.31 2wwq n ARG 59 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2wwq s GLN 60 N -2.10 3.31 0.34 5.56 1.11 -1.15 -4.99 119.66 121.73 2wwq s GLN 60 Ca 0.42 -0.57 0.00 0.00 0.01 0.00 0.00 55.36 55.21 2wwq s GLN 60 Cb 0.30 -2.93 0.00 0.00 -1.01 0.00 0.00 33.01 29.36 2wwq s GLN 60 CO 0.16 0.56 0.00 0.41 0.01 0.00 0.00 175.29 176.43 2wwq n GLY 61 N -0.05 -0.86 3.15 3.09 0.00 -1.26 -4.86 105.19 104.41 2wwq n GLY 61 Ca -0.07 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 2wwq n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwq s LYS 62 N -1.30 0.71 0.05 1.61 1.02 -1.21 -4.99 119.74 115.63 2wwq s LYS 62 Ca 0.00 -0.92 0.08 0.00 0.02 0.00 0.00 55.97 55.15 2wwq s LYS 62 Cb 0.00 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.56 2wwq s LYS 62 CO 0.00 -0.19 -0.23 0.42 -0.92 0.00 0.00 175.35 174.43 2wwq s ILE 63 N -3.37 1.86 0.18 2.17 1.01 -1.26 -2.35 121.20 119.44 2wwq s ILE 63 Ca 0.01 -1.32 0.05 0.00 0.00 0.00 0.00 60.65 59.39 2wwq s ILE 63 Cb 0.03 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 2wwq s ILE 63 CO -0.08 0.23 -0.08 0.26 0.00 0.00 0.00 174.94 175.27 2wwq s TRP 64 N -0.84 1.43 -0.35 3.97 0.51 -0.88 -5.00 118.94 117.77 2wwq s TRP 64 Ca 0.09 -0.78 0.01 0.00 -2.12 0.00 0.00 56.10 53.31 2wwq s TRP 64 Cb -0.09 -0.75 0.14 0.00 -0.81 0.00 0.00 33.47 31.96 2wwq s TRP 64 CO 0.02 0.09 0.29 0.42 -0.51 0.00 0.00 176.95 177.26 2wwq s ILE 65 N -3.30 -0.15 0.68 2.03 1.01 -1.26 -1.54 121.20 118.68 2wwq s ILE 65 Ca 0.21 -1.19 -0.17 0.00 0.00 0.00 0.00 60.65 59.50 2wwq s ILE 65 Cb 0.03 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.62 2wwq s ILE 65 CO 0.04 -0.73 1.28 -0.60 0.00 0.00 0.00 174.94 174.93 2wwq s ARG 66 N 1.43 2.33 0.25 2.79 3.52 -0.79 -4.72 118.95 123.77 2wwq s ARG 66 Ca 0.16 2.01 0.00 0.00 -0.13 0.00 0.00 55.73 57.78 2wwq s ARG 66 Cb -0.18 -1.82 0.00 0.00 -1.56 0.00 0.00 34.95 31.38 2wwq s ARG 66 CO -0.07 -1.76 0.00 0.28 -0.81 0.00 0.00 175.30 172.95 2wwq n VAL 67 N -2.22-11.38 -5.26 7.11 0.31 -1.26 -4.71 118.33 100.92 2wwq n VAL 67 Ca 0.15 3.20 -0.31 0.00 -0.01 0.00 0.00 64.34 67.37 2wwq n VAL 67 Cb 0.49 -4.89 -0.16 0.00 -0.91 0.00 0.00 33.84 28.36 2wwq n VAL 67 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2wwq s PHE 68 N -0.89 2.38 -0.01 3.52 5.36 -1.26 -5.11 117.98 121.97 2wwq s PHE 68 Ca 0.00 -0.44 -0.24 0.00 -0.96 0.00 0.00 56.93 55.29 2wwq s PHE 68 Cb 0.00 -1.53 -0.05 0.00 -0.34 0.00 0.00 43.02 41.11 2wwq s PHE 68 CO 0.00 -0.04 0.71 -1.25 -1.46 0.00 0.00 175.22 173.18 2wwq s PRO 69 N -0.57 4.44 0.00 10.12 0.04 -1.26 -4.92 135.00 142.85 2wwq s PRO 69 Ca 0.08 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2wwq s PRO 69 Cb -0.11 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2wwq s PRO 69 CO -0.00 0.20 0.00 -0.25 0.04 0.00 0.00 177.00 176.99 2wwq n ASP 70 N 3.21 1.17 -4.60 6.66 8.00 -1.13 -4.62 116.55 125.24 2wwq n ASP 70 Ca -0.03 -0.10 -0.40 0.00 0.71 0.00 0.00 54.79 54.97 2wwq n ASP 70 Cb 0.51 0.43 -0.07 0.00 -0.02 0.00 0.00 41.12 41.96 2wwq n ASP 70 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2wwq s LYS 71 N -0.66 3.92 0.00 -1.24 -0.14 -1.16 -4.98 119.74 115.48 2wwq s LYS 71 Ca 0.00 0.18 0.00 0.00 -1.36 0.00 0.00 55.97 54.79 2wwq s LYS 71 Cb 0.00 -3.71 0.00 0.00 -1.68 0.00 0.00 37.83 32.44 2wwq s LYS 71 CO 0.00 -0.47 0.29 -0.35 -0.76 0.00 0.00 175.35 174.06 2wwq n PRO 72 N 5.66 0.00 -0.21 -1.68 -0.04 -1.26 -0.95 135.00 136.52 2wwq n PRO 72 Ca -0.04 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2wwq n PRO 72 Cb 0.49 -0.79 0.00 0.00 -0.04 0.00 0.00 33.50 33.16 2wwq n PRO 72 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2wwq n ILE 73 N -0.50 -0.94 -3.05 0.52 -0.00 -1.26 -2.34 119.36 111.79 2wwq n ILE 73 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 62.75 62.56 2wwq n ILE 73 Cb 0.00 -0.94 0.01 0.00 -0.00 0.00 0.00 39.64 38.71 2wwq n ILE 73 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 2wwq s THR 74 N -0.09 3.34 -0.07 1.39 -4.23 -1.26 -3.52 115.64 111.21 2wwq s THR 74 Ca 0.00 -0.86 -0.03 0.00 -1.18 0.00 0.00 61.69 59.61 2wwq s THR 74 Cb 0.00 -3.17 0.04 0.00 1.34 0.00 0.00 72.50 70.71 2wwq s THR 74 CO 0.00 -0.08 0.16 -0.70 -0.54 0.00 0.00 174.62 173.46 2wwq s GLU 75 N -4.42 0.11 0.07 3.99 -6.30 -0.40 -4.81 118.70 106.93 2wwq s GLU 75 Ca 0.52 0.41 -0.24 0.00 -2.50 0.00 0.00 54.97 53.15 2wwq s GLU 75 Cb -0.10 -0.18 -0.06 0.00 0.00 0.00 0.00 34.13 33.79 2wwq s GLU 75 CO 0.34 -0.17 0.74 0.21 0.02 0.00 0.00 175.26 176.40 2wwq s LYS 76 N 1.25 4.48 0.80 4.30 2.47 -1.26 -3.10 119.74 128.68 2wwq s LYS 76 Ca -0.09 1.04 -0.14 0.00 -1.56 0.00 0.00 55.97 55.23 2wwq s LYS 76 Cb -0.11 -3.34 0.19 0.00 -1.46 0.00 0.00 37.83 33.11 2wwq s LYS 76 CO -0.06 0.36 0.92 -0.35 0.16 0.00 0.00 175.35 176.38 2wwq n PRO 77 N 2.51 -1.60 -2.84 4.03 -0.04 -1.26 -5.00 135.00 130.81 2wwq n PRO 77 Ca -0.04 -1.44 -0.32 0.00 -0.04 0.00 0.00 63.50 61.66 2wwq n PRO 77 Cb 0.50 -1.09 -0.05 0.00 -0.04 0.00 0.00 33.50 32.81 2wwq n PRO 77 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wwq s LEU 78 N 0.00 3.89 -0.93 1.53 1.43 -1.26 -4.44 118.68 118.90 2wwq s LEU 78 Ca 0.55 1.42 -0.03 0.00 -1.03 0.00 0.00 54.13 55.04 2wwq s LEU 78 Cb -0.03 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 41.91 2wwq s LEU 78 CO 0.40 -0.37 0.79 0.00 0.23 0.00 0.00 176.35 177.40 2wwq n ALA 79 N -0.89 -1.21 -2.92 4.21 0.00 -1.26 -5.01 120.51 113.43 2wwq n ALA 79 Ca 0.05 0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 2wwq n ALA 79 Cb 0.54 -3.01 -0.13 0.00 0.00 0.00 0.00 19.45 16.84 2wwq n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wwq s VAL 80 N -3.25 0.03 0.30 0.00 0.11 -1.26 -5.13 120.40 111.21 2wwq s VAL 80 Ca 0.21 -0.23 -0.29 0.00 -2.93 0.00 0.00 61.98 58.74 2wwq s VAL 80 Cb -0.09 -0.10 -0.10 0.00 -1.53 0.00 0.00 36.38 34.55 2wwq s VAL 80 CO 0.53 -0.13 1.32 -0.13 -3.33 0.00 0.00 175.10 173.36 2wwq s ARG 81 N -0.37 4.36 -0.00 1.54 0.52 -1.26 -4.95 118.95 118.79 2wwq s ARG 81 Ca -0.04 2.19 -0.20 0.00 -0.52 0.00 0.00 55.73 57.16 2wwq s ARG 81 Cb -0.03 -3.09 -0.05 0.00 0.52 0.00 0.00 34.95 32.29 2wwq s ARG 81 CO -0.00 -0.21 0.58 -1.64 0.02 0.00 0.00 175.30 174.05 2wwq s MET 82 N -1.39 4.29 0.00 3.54 -1.94 -1.26 -4.56 119.30 117.98 2wwq s MET 82 Ca 0.51 0.70 0.00 0.00 -1.71 0.00 0.00 55.69 55.20 2wwq s MET 82 Cb -0.39 -3.33 0.00 0.00 2.01 0.00 0.00 34.83 33.11 2wwq s MET 82 CO 0.49 0.39 0.00 0.41 -0.01 0.00 0.00 175.02 176.31 2wwq n GLY 83 N 2.40 -0.40 0.00 -0.03 0.00 -1.26 -5.03 105.19 100.87 2wwq n GLY 83 Ca -0.07 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2wwq n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wwq n LYS 84 N -0.14 0.00 0.00 1.61 4.76 -1.26 -5.11 118.16 118.02 2wwq n LYS 84 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wwq n LYS 84 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wwq n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wwq n GLY 85 N 0.00 2.32 3.78 0.72 0.00 -1.26 -5.12 105.19 105.63 2wwq n GLY 85 Ca 0.00 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 2wwq n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wwq s LYS 86 N -2.00 4.36 1.29 1.61 2.20 -1.26 -5.06 119.74 120.88 2wwq s LYS 86 Ca 0.00 1.44 -0.21 0.00 -0.36 0.00 0.00 55.97 56.83 2wwq s LYS 86 Cb 0.00 -2.66 0.33 0.00 -1.51 0.00 0.00 37.83 33.99 2wwq s LYS 86 CO 0.00 0.05 0.75 0.41 -0.36 0.00 0.00 175.35 176.20 2wwq n GLY 87 N 0.42 -3.90 3.65 5.54 0.00 -1.26 -5.03 105.19 104.62 2wwq n GLY 87 Ca 0.04 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 2wwq n GLY 87 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wwq s ASN 88 N -2.93 4.90 -0.45 1.61 0.01 -1.18 -4.81 114.94 112.09 2wwq s ASN 88 Ca 0.58 -0.14 -0.27 0.00 -0.71 0.00 0.00 52.86 52.32 2wwq s ASN 88 Cb -0.10 -1.18 -0.04 0.00 0.41 0.00 0.00 41.25 40.34 2wwq s ASN 88 CO 0.49 0.23 2.13 -0.69 -1.51 0.00 0.00 177.10 177.75 2wwq s VAL 89 N -1.16 3.18 -1.97 1.60 1.01 -1.26 -1.28 120.40 120.52 2wwq s VAL 89 Ca 0.21 0.14 0.17 0.00 0.00 0.00 0.00 61.98 62.51 2wwq s VAL 89 Cb -0.11 -3.37 0.25 0.00 0.00 0.00 0.00 36.38 33.15 2wwq s VAL 89 CO 0.13 -0.32 1.17 -0.62 0.00 0.00 0.00 175.10 175.46 2wwq n GLU 90 N 8.92 1.88 -3.83 2.72 -0.58 -1.25 -4.96 120.64 123.55 2wwq n GLU 90 Ca 0.29 -1.82 -0.10 0.00 -0.42 0.00 0.00 57.16 55.12 2wwq n GLU 90 Cb 0.51 -1.37 -0.05 0.00 -0.57 0.00 0.00 31.44 29.96 2wwq n GLU 90 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2wwq s TYR 91 N -1.32 0.10 -0.24 -0.32 2.02 -1.23 -5.03 117.35 111.33 2wwq s TYR 91 Ca 0.26 -0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 56.49 2wwq s TYR 91 Cb 0.16 0.21 0.07 0.00 -0.40 0.00 0.00 41.96 42.00 2wwq s TYR 91 CO 0.23 -0.84 0.03 -1.58 -1.57 0.00 0.00 175.55 171.82 2wwq s TRP 92 N -3.91 1.57 0.33 2.71 0.52 -1.15 -4.18 118.94 114.82 2wwq s TRP 92 Ca 0.12 -1.33 0.04 0.00 0.02 0.00 0.00 56.10 54.95 2wwq s TRP 92 Cb 0.01 -1.36 -0.02 0.00 -1.15 0.00 0.00 33.47 30.95 2wwq s TRP 92 CO -0.02 -0.72 0.48 0.14 0.02 0.00 0.00 176.95 176.85 2wwq s VAL 93 N 1.67 4.54 -0.30 4.03 -7.23 -0.12 -4.26 120.40 118.72 2wwq s VAL 93 Ca 0.01 -0.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.34 2wwq s VAL 93 Cb -0.18 -3.61 0.09 0.00 0.56 0.00 0.00 36.38 33.24 2wwq s VAL 93 CO -0.12 -0.29 0.06 0.00 -0.31 0.00 0.00 175.10 174.44 2wwq s ALA 94 N -2.20 1.91 0.07 1.32 0.00 -0.68 -2.84 121.76 119.34 2wwq s ALA 94 Ca 0.42 -1.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 2wwq s ALA 94 Cb -0.09 -1.66 -0.09 0.00 0.00 0.00 0.00 23.12 21.28 2wwq s ALA 94 CO 0.32 -1.58 1.80 -0.51 0.00 0.00 0.00 175.76 175.80 2wwq s LEU 95 N 1.42 4.39 0.14 0.00 1.43 -1.26 -2.63 118.68 122.17 2wwq s LEU 95 Ca 0.07 2.61 0.06 0.00 -1.03 0.00 0.00 54.13 55.84 2wwq s LEU 95 Cb -0.18 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 2wwq s LEU 95 CO -0.17 -0.98 -0.14 0.27 0.23 0.00 0.00 176.35 175.56 2wwq s ILE 96 N 3.32 1.37 0.22 -0.59 -4.36 -1.16 -5.02 121.20 114.99 2wwq s ILE 96 Ca 0.80 -1.83 0.00 0.00 -0.26 0.00 0.00 60.65 59.36 2wwq s ILE 96 Cb -0.42 -1.65 -0.04 0.00 1.25 0.00 0.00 42.46 41.60 2wwq s ILE 96 CO 0.36 -0.48 0.13 -1.10 0.24 0.00 0.00 174.94 174.09 2wwq s GLN 97 N -2.95 1.29 0.28 0.37 -0.21 -1.26 -2.98 119.66 114.20 2wwq s GLN 97 Ca 0.12 -1.69 -0.29 0.00 0.02 0.00 0.00 55.36 53.51 2wwq s GLN 97 Cb -0.03 0.14 -0.10 0.00 1.00 0.00 0.00 33.01 34.02 2wwq s GLN 97 CO 0.03 -0.39 1.26 -1.25 -2.12 0.00 0.00 175.29 172.82 2wwq s PRO 98 N -4.08 4.43 0.00 2.91 0.04 -1.09 -3.16 135.00 134.05 2wwq s PRO 98 Ca 0.39 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2wwq s PRO 98 Cb 0.07 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.47 2wwq s PRO 98 CO 0.13 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.47 2wwq n GLY 99 N 1.40 0.76 3.68 0.56 0.00 -0.62 -3.78 105.19 107.19 2wwq n GLY 99 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2wwq n GLY 99 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wwq s LYS 100 N -0.23 4.38 0.17 1.61 2.47 -1.19 -4.30 119.74 122.65 2wwq s LYS 100 Ca 0.00 1.45 -0.30 0.00 -1.56 0.00 0.00 55.97 55.56 2wwq s LYS 100 Cb 0.00 -3.57 -0.07 0.00 -1.46 0.00 0.00 37.83 32.73 2wwq s LYS 100 CO 0.00 -0.40 0.98 0.08 0.16 0.00 0.00 175.35 176.17 2wwq s VAL 101 N 2.28 4.20 0.00 4.02 1.01 -1.18 -1.41 120.40 129.31 2wwq s VAL 101 Ca 0.49 1.98 0.00 0.00 0.00 0.00 0.00 61.98 64.45 2wwq s VAL 101 Cb -0.19 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.93 2wwq s VAL 101 CO 0.17 0.37 0.00 0.18 0.00 0.00 0.00 175.10 175.82 2wwq n LEU 102 N 2.20 0.00 0.00 3.92 7.99 0.29 -4.60 117.00 126.80 2wwq n LEU 102 Ca 0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.98 2wwq n LEU 102 Cb 0.48 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.78 2wwq n LEU 102 CO 0.51 0.00 -0.01 -1.22 -1.51 0.00 0.00 177.39 175.16 2wwq n TYR 103 N 0.00 -0.34 -3.43 -1.77 0.53 -1.25 -1.89 117.16 109.01 2wwq n TYR 103 Ca 0.00 -0.21 0.01 0.00 -1.02 0.00 0.00 57.90 56.69 2wwq n TYR 103 Cb 0.00 -0.03 -0.03 0.00 -1.03 0.00 0.00 39.34 38.25 2wwq n TYR 103 CO 0.00 0.00 0.00 -1.21 -1.02 0.00 0.00 176.86 174.63 2wwq s GLU 104 N -2.17 0.42 0.24 -0.72 2.02 -0.59 -3.39 118.70 114.51 2wwq s GLU 104 Ca 0.01 0.97 0.09 0.00 0.02 0.00 0.00 54.97 56.06 2wwq s GLU 104 Cb -0.00 0.58 -0.04 0.00 0.10 0.00 0.00 34.13 34.77 2wwq s GLU 104 CO 0.00 -0.21 0.02 -1.64 0.02 0.00 0.00 175.26 173.45 2wwq s MET 105 N 2.71 2.39 0.10 1.61 -1.94 -0.69 -2.08 119.30 121.40 2wwq s MET 105 Ca -0.00 -1.31 -0.21 0.00 -1.71 0.00 0.00 55.69 52.46 2wwq s MET 105 Cb -0.10 -2.25 0.05 0.00 2.01 0.00 0.00 34.83 34.54 2wwq s MET 105 CO -0.18 0.39 0.51 0.34 -0.01 0.00 0.00 175.02 176.07 2wwq s ASP 106 N -3.54 -0.42 0.00 3.03 2.15 -0.99 -1.28 116.67 115.63 2wwq s ASP 106 Ca 0.31 -0.01 0.00 0.00 0.43 0.00 0.00 52.55 53.28 2wwq s ASP 106 Cb -0.07 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.06 2wwq s ASP 106 CO 0.20 -0.82 0.00 0.61 -0.17 0.00 0.00 175.17 174.99 2wwq n GLY 107 N 0.02 0.66 3.19 2.66 0.00 -1.26 -3.29 105.19 107.17 2wwq n GLY 107 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 2wwq n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wwq s VAL 108 N -2.23 0.09 0.94 1.61 -7.23 -1.26 -4.18 120.40 108.15 2wwq s VAL 108 Ca 0.00 -0.73 -0.11 0.00 -1.81 0.00 0.00 61.98 59.33 2wwq s VAL 108 Cb 0.00 -0.77 0.16 0.00 0.56 0.00 0.00 36.38 36.33 2wwq s VAL 108 CO 0.00 -0.40 1.12 -2.16 -0.31 0.00 0.00 175.10 173.34 2wwq s PRO 109 N -2.10 0.81 0.19 4.82 0.04 -1.26 -4.68 135.00 132.82 2wwq s PRO 109 Ca -0.09 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.24 2wwq s PRO 109 Cb -0.03 -1.72 0.09 0.00 0.04 0.00 0.00 34.50 32.89 2wwq s PRO 109 CO -0.01 -2.71 1.58 1.49 0.04 0.00 0.00 177.00 177.39 2wwq h GLU 110 N -1.92 0.87 -0.35 4.56 4.81 -2.00 -1.30 114.58 119.25 2wwq h GLU 110 Ca -0.47 -0.37 -0.11 0.00 -0.13 0.00 0.00 59.36 58.28 2wwq h GLU 110 Cb 1.28 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2wwq h GLU 110 CO 0.45 1.02 -0.22 1.49 -0.73 0.00 0.00 179.01 181.01 2wwq h GLU 111 N 0.75 0.77 -0.78 1.92 4.57 -1.99 -1.65 114.58 118.17 2wwq h GLU 111 Ca 0.10 -0.36 -0.05 0.00 -1.18 0.00 0.00 59.36 57.87 2wwq h GLU 111 Cb 0.79 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.34 2wwq h GLU 111 CO 0.07 0.98 0.29 1.25 -1.18 0.00 0.00 179.01 180.41 2wwq h LEU 112 N 0.55 1.09 -0.57 1.64 5.85 -1.74 -2.14 115.31 119.99 2wwq h LEU 112 Ca 0.07 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2wwq h LEU 112 Cb 0.78 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2wwq h LEU 112 CO 0.06 0.98 0.20 0.00 -0.34 0.00 0.00 178.44 179.35 2wwq h ALA 113 N 1.15 0.74 -0.21 1.25 0.00 -1.19 -1.51 119.26 119.50 2wwq h ALA 113 Ca 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2wwq h ALA 113 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2wwq h ALA 113 CO -0.02 0.38 0.03 0.00 0.00 0.00 0.00 179.25 179.65 2wwq h ARG 114 N 0.79 0.30 -1.74 0.00 3.08 -1.10 -2.49 114.38 113.22 2wwq h ARG 114 Ca 0.19 -0.04 -0.63 0.00 0.07 0.00 0.00 59.98 59.57 2wwq h ARG 114 Cb 0.24 -0.06 -0.39 0.00 0.08 0.00 0.00 29.97 29.85 2wwq h ARG 114 CO -0.01 0.30 -0.35 0.39 -1.07 0.00 0.00 179.97 179.22 2wwq n GLU 115 N -4.40 3.37 0.00 0.04 -0.58 -0.58 -0.83 120.64 117.66 2wwq n GLU 115 Ca 0.00 -4.40 0.00 0.00 -0.42 0.00 0.00 57.16 52.34 2wwq n GLU 115 Cb 0.16 -2.26 0.00 0.00 -0.57 0.00 0.00 31.44 28.77 2wwq n GLU 115 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wwq n ALA 116 N -0.44 0.78 0.11 0.62 0.00 -1.14 -4.75 120.51 115.69 2wwq n ALA 116 Ca 0.41 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.61 2wwq n ALA 116 Cb 0.54 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 2wwq n ALA 116 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2wwq h PHE 117 N 0.00 0.89 -0.10 0.00 0.04 -1.41 -2.46 116.94 113.91 2wwq h PHE 117 Ca 0.00 -0.63 0.02 0.00 2.80 0.00 0.00 57.97 60.16 2wwq h PHE 117 Cb 0.00 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 2wwq h PHE 117 CO 0.00 1.49 0.07 -0.22 -0.60 0.00 0.00 178.31 179.04 2wwq h LYS 118 N 0.05 0.04 0.09 1.51 1.63 -1.25 -0.47 116.57 118.17 2wwq h LYS 118 Ca -0.22 -0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.32 2wwq h LYS 118 Cb 1.99 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.61 2wwq h LYS 118 CO 0.24 0.03 -1.25 -0.07 -3.45 0.00 0.00 179.45 174.94 2wwq h LEU 119 N 0.04 0.29 0.04 5.20 3.38 -1.79 -3.34 115.31 119.12 2wwq h LEU 119 Ca 0.04 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2wwq h LEU 119 Cb 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2wwq h LEU 119 CO -0.00 1.26 -0.02 0.00 0.09 0.00 0.00 178.44 179.77 2wwq h ALA 120 N 0.69 -0.68 -0.65 1.53 0.00 -0.62 -3.45 119.26 116.08 2wwq h ALA 120 Ca -0.13 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.30 2wwq h ALA 120 Cb 1.93 0.02 0.05 0.00 0.00 0.00 0.00 17.79 19.80 2wwq h ALA 120 CO 0.17 -0.67 -0.18 0.00 0.00 0.00 0.00 179.25 178.57 2wwq n ALA 121 N -2.05 -2.35 0.00 0.00 0.00 -0.71 -2.60 120.51 112.80 2wwq n ALA 121 Ca -0.01 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2wwq n ALA 121 Cb 0.02 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2wwq n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwq n ALA 122 N 0.41 0.00 0.84 0.00 0.00 -1.26 -4.76 120.51 115.74 2wwq n ALA 122 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.68 2wwq n ALA 122 Cb 0.12 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.81 2wwq n ALA 122 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wwq n LYS 123 N -0.66 2.21 -3.67 0.00 5.02 -1.07 -4.83 118.16 115.16 2wwq n LYS 123 Ca 0.00 -1.80 -0.25 0.00 -2.02 0.00 0.00 58.31 54.25 2wwq n LYS 123 Cb 0.00 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.52 2wwq n LYS 123 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wwq s LEU 124 N -1.73 4.19 0.00 -0.35 1.43 -1.26 -4.74 118.68 116.21 2wwq s LEU 124 Ca 0.34 0.33 0.13 0.00 -1.03 0.00 0.00 54.13 53.90 2wwq s LEU 124 Cb 0.21 -3.13 0.15 0.00 0.03 0.00 0.00 46.19 43.44 2wwq s LEU 124 CO 0.30 -0.13 0.98 -0.81 0.23 0.00 0.00 176.35 176.92 2wwq n PRO 125 N -1.21 1.15 -4.23 1.29 -0.04 -1.26 -4.95 135.00 125.75 2wwq n PRO 125 Ca -0.06 -1.42 -0.15 0.00 -0.04 0.00 0.00 63.50 61.83 2wwq n PRO 125 Cb 0.55 -1.26 -0.09 0.00 -0.04 0.00 0.00 33.50 32.66 2wwq n PRO 125 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2wwq s ILE 126 N -1.08 0.01 0.21 0.52 -4.36 -1.26 -5.05 121.20 110.20 2wwq s ILE 126 Ca 0.17 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.26 2wwq s ILE 126 Cb 0.11 -2.50 -0.09 0.00 1.25 0.00 0.00 42.46 41.24 2wwq s ILE 126 CO 0.17 0.00 1.23 -0.54 0.24 0.00 0.00 174.94 176.04 2wwq s LYS 127 N -3.92 4.47 0.52 0.37 1.02 -1.24 -4.85 119.74 116.11 2wwq s LYS 127 Ca 0.40 1.95 0.00 0.00 0.02 0.00 0.00 55.97 58.34 2wwq s LYS 127 Cb 0.05 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 2wwq s LYS 127 CO 0.17 -0.11 0.01 0.25 -0.92 0.00 0.00 175.35 174.75 2wwq n THR 128 N 2.22 0.00 -3.57 2.17 -2.24 -1.26 -1.78 114.28 109.82 2wwq n THR 128 Ca 0.04 -2.43 -0.10 0.00 -2.27 0.00 0.00 64.05 59.29 2wwq n THR 128 Cb 0.44 0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 69.10 2wwq n THR 128 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wwq s THR 129 N -2.86 0.00 0.43 4.28 -4.23 -1.24 -4.82 115.64 107.19 2wwq s THR 129 Ca 0.01 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.34 2wwq s THR 129 Cb -0.00 -1.00 -0.09 0.00 1.34 0.00 0.00 72.50 72.75 2wwq s THR 129 CO 0.00 0.00 0.89 0.12 -0.54 0.00 0.00 174.62 175.10 2wwq s PHE 130 N -1.50 3.39 -0.03 3.99 5.36 -1.26 -2.01 117.98 125.92 2wwq s PHE 130 Ca 0.00 1.41 0.07 0.00 -0.96 0.00 0.00 56.93 57.46 2wwq s PHE 130 Cb -0.01 -2.72 -0.02 0.00 -0.34 0.00 0.00 43.02 39.94 2wwq s PHE 130 CO -0.01 -0.15 -0.24 0.08 -1.46 0.00 0.00 175.22 173.44 2wwq s VAL 131 N -2.30 2.17 0.23 3.12 1.01 -0.01 -4.79 120.40 119.84 2wwq s VAL 131 Ca 0.58 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 61.56 2wwq s VAL 131 Cb -0.10 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2wwq s VAL 131 CO 0.22 0.58 0.32 0.42 0.00 0.00 0.00 175.10 176.64 2wwq s THR 132 N -0.50 5.14 0.08 3.92 -4.23 -1.26 -3.03 115.64 115.76 2wwq s THR 132 Ca 0.06 -1.02 -0.34 0.00 -1.18 0.00 0.00 61.69 59.21 2wwq s THR 132 Cb -0.11 -3.77 -0.17 0.00 1.34 0.00 0.00 72.50 69.79 2wwq s THR 132 CO 0.00 -0.30 1.59 0.50 -0.54 0.00 0.00 174.62 175.88 2wwq h LYS 133 N 1.35 -0.96 -0.94 3.99 1.63 -1.39 -3.45 116.57 116.79 2wwq h LYS 133 Ca -0.51 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 2wwq h LYS 133 Cb 1.23 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 33.07 2wwq h LYS 133 CO 0.62 -0.64 0.00 2.41 -3.45 0.00 0.00 179.45 178.39 2wwq n THR 134 N -5.55 -1.84 -0.34 1.00 -1.04 -1.26 -4.78 114.28 100.47 2wwq n THR 134 Ca -0.13 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.04 2wwq n THR 134 Cb 0.43 -1.86 0.31 0.00 -1.82 0.00 0.00 70.33 67.39 2wwq n THR 134 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2wwq n VAL 135 N 0.23 -0.41 1.74 12.58 0.31 -1.26 -5.08 118.33 126.44 2wwq n VAL 135 Ca 0.00 2.16 0.14 0.00 -0.01 0.00 0.00 64.34 66.63 2wwq n VAL 135 Cb 0.00 -3.18 0.83 0.00 -0.91 0.00 0.00 33.84 30.58 2wwq n VAL 135 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74