#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfi n SER 2 N 0.00 -6.02 0.04 1.61 2.88 -1.26 -5.02 113.62 105.84 1wfi n SER 2 Ca 0.00 1.41 0.00 0.00 -1.33 0.00 0.00 58.87 58.95 1wfi n SER 2 Cb 0.00 -5.27 0.00 0.00 -0.75 0.00 0.00 64.21 58.19 1wfi n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wfi n SER 3 N 0.99 0.38 0.00 -3.46 7.64 -1.26 -5.09 113.62 112.82 1wfi n SER 3 Ca -0.11 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1wfi n SER 3 Cb 0.18 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1wfi n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfi n GLY 4 N 2.75 1.13 3.70 0.23 0.00 -1.26 -5.12 105.19 106.61 1wfi n GLY 4 Ca 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1wfi n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfi s SER 5 N 0.00 5.30 0.35 1.61 0.01 -1.26 -4.99 113.70 114.71 1wfi s SER 5 Ca 0.00 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1wfi s SER 5 Cb 0.00 -1.49 0.00 0.00 0.21 0.00 0.00 66.02 64.74 1wfi s SER 5 CO 0.00 0.37 0.00 -0.24 0.41 0.00 0.00 173.24 173.78 1wfi n SER 6 N 2.03 -4.44 -4.34 2.44 2.88 -1.26 -5.05 113.62 105.89 1wfi n SER 6 Ca -0.18 0.86 -0.17 0.00 -1.33 0.00 0.00 58.87 58.05 1wfi n SER 6 Cb 0.54 -2.72 -0.10 0.00 -0.75 0.00 0.00 64.21 61.17 1wfi n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfi s GLY 7 N -5.58 1.80 0.00 0.46 0.00 -1.26 -4.83 107.32 97.91 1wfi s GLY 7 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.82 1wfi s GLY 7 CO 0.00 -1.64 0.00 -1.55 0.00 0.00 0.00 173.10 169.91 1wfi n PRO 8 N -0.51 0.56 0.00 2.90 -0.04 -1.26 -4.89 135.00 131.76 1wfi n PRO 8 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1wfi n PRO 8 Cb 0.66 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.12 1wfi n PRO 8 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wfi n ASN 9 N -0.89 0.22 -4.43 3.54 2.85 -1.26 -4.70 115.26 110.59 1wfi n ASN 9 Ca 0.00 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.21 1wfi n ASN 9 Cb 0.00 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 1wfi n ASN 9 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1wfi s TYR 10 N -1.69 2.28 0.11 1.20 -0.85 -1.26 -4.86 117.35 112.28 1wfi s TYR 10 Ca 0.00 -0.36 -0.18 0.00 -0.52 0.00 0.00 57.07 56.02 1wfi s TYR 10 Cb 0.00 -1.10 -0.07 0.00 0.38 0.00 0.00 41.96 41.17 1wfi s TYR 10 CO 0.00 0.54 0.58 1.03 -1.52 0.00 0.00 175.55 176.18 1wfi s ARG 11 N -2.87 4.13 0.18 -3.49 0.52 -0.17 -4.92 118.95 112.33 1wfi s ARG 11 Ca 0.23 0.66 -0.21 0.00 -0.52 0.00 0.00 55.73 55.89 1wfi s ARG 11 Cb -0.07 -3.09 0.05 0.00 0.52 0.00 0.00 34.95 32.36 1wfi s ARG 11 CO 0.11 0.56 0.59 1.67 0.02 0.00 0.00 175.30 178.25 1wfi s TRP 12 N -1.28 -0.38 0.00 -0.53 1.48 -1.26 0.11 118.94 117.09 1wfi s TRP 12 Ca 0.33 0.10 0.00 0.00 -1.06 0.00 0.00 56.10 55.47 1wfi s TRP 12 Cb -0.18 0.54 0.00 0.00 -1.16 0.00 0.00 33.47 32.67 1wfi s TRP 12 CO 0.19 -0.92 0.00 -2.37 -4.06 0.00 0.00 176.95 169.79 1wfi n THR 13 N -0.38 0.00 -2.53 0.66 5.66 0.83 -4.98 114.28 113.54 1wfi n THR 13 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1wfi n THR 13 Cb 0.63 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 1wfi n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wfi n GLN 14 N 0.00 -1.54 -2.72 1.09 0.00 -1.26 -2.97 117.38 109.98 1wfi n GLN 14 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.00 56.92 1wfi n GLN 14 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 30.24 30.34 1wfi n GLN 14 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1wfi n THR 15 N 1.01 0.00 -2.54 -0.39 5.66 -0.73 -4.95 114.28 112.35 1wfi n THR 15 Ca 0.00 -1.43 -0.03 0.00 -3.05 0.00 0.00 64.05 59.54 1wfi n THR 15 Cb 0.00 1.30 -0.01 0.00 -1.55 0.00 0.00 70.33 70.07 1wfi n THR 15 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1wfi n LEU 16 N 0.05 -0.06 0.00 1.09 7.99 -1.26 -4.16 117.00 120.64 1wfi n LEU 16 Ca 0.02 0.33 0.00 0.00 -0.01 0.00 0.00 56.01 56.35 1wfi n LEU 16 Cb 0.75 -0.98 0.00 0.00 -0.11 0.00 0.00 43.42 43.08 1wfi n LEU 16 CO -0.01 0.01 0.00 0.00 -1.51 0.00 0.00 177.39 175.88 1wfi n ALA 17 N -2.46 0.00 -2.78 -1.18 0.00 -1.26 -3.03 120.51 109.79 1wfi n ALA 17 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.19 1wfi n ALA 17 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 1wfi n ALA 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1wfi s GLU 18 N 0.00 3.50 0.35 0.00 4.04 -1.26 -2.44 118.70 122.89 1wfi s GLU 18 Ca 0.00 -0.39 0.08 0.00 0.04 0.00 0.00 54.97 54.69 1wfi s GLU 18 Cb 0.00 -2.83 -0.03 0.00 0.02 0.00 0.00 34.13 31.29 1wfi s GLU 18 CO 0.00 0.38 0.30 -0.51 -1.84 0.00 0.00 175.26 173.59 1wfi s LEU 19 N -3.50 3.55 -0.09 1.83 1.43 0.37 -1.78 118.68 120.50 1wfi s LEU 19 Ca 0.38 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.90 1wfi s LEU 19 Cb -0.11 -2.17 0.04 0.00 0.03 0.00 0.00 46.19 43.99 1wfi s LEU 19 CO 0.30 -0.39 0.20 -1.81 0.23 0.00 0.00 176.35 174.87 1wfi s ASP 20 N -4.01 -0.15 0.03 2.29 1.01 -1.16 -2.48 116.67 112.21 1wfi s ASP 20 Ca 0.42 0.42 0.05 0.00 0.71 0.00 0.00 52.55 54.15 1wfi s ASP 20 Cb -0.05 0.31 -0.02 0.00 1.01 0.00 0.00 42.92 44.16 1wfi s ASP 20 CO 0.27 -0.16 -0.15 -0.22 0.21 0.00 0.00 175.17 175.11 1wfi s LEU 21 N 1.28 2.16 -0.07 1.23 1.98 0.30 -0.12 118.68 125.43 1wfi s LEU 21 Ca -0.09 -0.45 -0.04 0.00 -2.89 0.00 0.00 54.13 50.67 1wfi s LEU 21 Cb -0.11 -0.68 0.04 0.00 0.66 0.00 0.00 46.19 46.10 1wfi s LEU 21 CO -0.07 0.07 0.17 0.00 -1.89 0.00 0.00 176.35 174.62 1wfi s ALA 22 N -0.79 -0.34 -0.24 5.97 0.00 0.31 0.65 121.76 127.32 1wfi s ALA 22 Ca 0.03 0.71 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 1wfi s ALA 22 Cb -0.08 -0.46 0.07 0.00 0.00 0.00 0.00 23.12 22.65 1wfi s ALA 22 CO 0.01 -0.15 0.05 0.08 0.00 0.00 0.00 175.76 175.75 1wfi s VAL 23 N 1.04 0.73 0.49 0.00 1.01 0.20 -1.00 120.40 122.88 1wfi s VAL 23 Ca -0.08 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 1wfi s VAL 23 Cb -0.10 -1.32 -0.08 0.00 0.00 0.00 0.00 36.38 34.88 1wfi s VAL 23 CO -0.06 -0.36 1.04 -2.16 0.00 0.00 0.00 175.10 173.56 1wfi s PRO 24 N 1.74 3.77 0.03 2.72 0.04 -1.26 0.48 135.00 142.50 1wfi s PRO 24 Ca 0.02 1.34 0.02 0.00 0.04 0.00 0.00 61.00 62.43 1wfi s PRO 24 Cb -0.17 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1wfi s PRO 24 CO -0.14 -0.46 -0.08 -0.06 0.04 0.00 0.00 177.00 176.30 1wfi s PHE 25 N -2.03 0.67 -1.08 0.56 0.08 -1.25 -4.90 117.98 110.03 1wfi s PHE 25 Ca 0.67 -0.35 -0.16 0.00 0.12 0.00 0.00 56.93 57.22 1wfi s PHE 25 Cb -0.16 -0.40 0.16 0.00 -0.57 0.00 0.00 43.02 42.04 1wfi s PHE 25 CO 0.21 -0.04 1.28 1.03 -0.10 0.00 0.00 175.22 177.60 1wfi s ARG 26 N -1.05 3.88 0.36 0.44 1.81 -1.26 -4.68 118.95 118.45 1wfi s ARG 26 Ca -0.05 -2.26 0.07 0.00 -1.72 0.00 0.00 55.73 51.77 1wfi s ARG 26 Cb -0.07 -4.98 -0.07 0.00 -0.45 0.00 0.00 34.95 29.38 1wfi s ARG 26 CO 0.00 -1.74 -0.02 0.14 -0.68 0.00 0.00 175.30 173.00 1wfi s VAL 27 N 1.92 1.85 -0.26 3.52 -7.23 -1.26 -5.04 120.40 113.90 1wfi s VAL 27 Ca 0.38 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.51 1wfi s VAL 27 Cb -0.04 -2.78 0.10 0.00 0.56 0.00 0.00 36.38 34.22 1wfi s VAL 27 CO -0.04 -0.10 1.08 -1.20 -0.31 0.00 0.00 175.10 174.53 1wfi n SER 28 N -0.81 2.30 -3.75 4.85 7.64 -1.26 -5.03 113.62 117.55 1wfi n SER 28 Ca -0.05 -2.06 -0.20 0.00 1.01 0.00 0.00 58.87 57.58 1wfi n SER 28 Cb 0.65 -0.09 -0.09 0.00 -1.01 0.00 0.00 64.21 63.68 1wfi n SER 28 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1wfi s PHE 29 N -1.10 1.66 -0.78 1.43 -0.12 -1.26 -5.10 117.98 112.70 1wfi s PHE 29 Ca 0.08 -1.49 -0.18 0.00 -0.05 0.00 0.00 56.93 55.30 1wfi s PHE 29 Cb 0.05 -0.82 0.14 0.00 -0.63 0.00 0.00 43.02 41.77 1wfi s PHE 29 CO 0.05 -0.65 0.88 0.50 -0.05 0.00 0.00 175.22 175.95 1wfi s ARG 30 N -3.67 3.40 0.28 1.99 3.52 -1.24 -4.55 118.95 118.67 1wfi s ARG 30 Ca 0.36 -1.77 -0.29 0.00 -0.13 0.00 0.00 55.73 53.91 1wfi s ARG 30 Cb 0.04 -4.54 -0.14 0.00 -1.56 0.00 0.00 34.95 28.74 1wfi s ARG 30 CO 0.21 -1.57 1.11 1.28 -0.81 0.00 0.00 175.30 175.52 1wfi n LEU 31 N 5.84 2.14 -4.82 -0.88 4.77 -0.76 -4.97 117.00 118.31 1wfi n LEU 31 Ca 0.09 1.18 -0.22 0.00 -0.03 0.00 0.00 56.01 57.02 1wfi n LEU 31 Cb 0.46 -1.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.18 1wfi n LEU 31 CO 0.49 -1.17 -0.07 -0.54 -1.33 0.00 0.00 177.39 174.77 1wfi s LYS 32 N -1.34 2.44 -0.27 3.23 1.02 -1.26 -4.74 119.74 118.82 1wfi s LYS 32 Ca 0.61 -1.60 -0.05 0.00 0.02 0.00 0.00 55.97 54.94 1wfi s LYS 32 Cb -0.70 -2.25 -0.18 0.00 -0.52 0.00 0.00 37.83 34.18 1wfi s LYS 32 CO 0.58 -0.11 2.87 0.41 -0.92 0.00 0.00 175.35 178.18 1wfi n GLY 33 N -1.40 2.80 1.16 -3.33 0.00 -1.26 -2.95 105.19 100.20 1wfi n GLY 33 Ca 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1wfi n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wfi n LYS 34 N 2.87 0.00 -0.56 1.61 2.85 -1.26 -4.82 118.16 118.85 1wfi n LYS 34 Ca 0.40 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.64 1wfi n LYS 34 Cb 0.61 -0.18 0.19 0.00 -0.65 0.00 0.00 35.03 35.00 1wfi n LYS 34 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1wfi n ASP 35 N -2.08 3.61 -4.80 -5.58 -0.08 -1.15 -4.86 116.55 101.61 1wfi n ASP 35 Ca 0.00 -2.63 -0.24 0.00 -1.51 0.00 0.00 54.79 50.41 1wfi n ASP 35 Cb 0.00 -0.63 -0.05 0.00 2.34 0.00 0.00 41.12 42.78 1wfi n ASP 35 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1wfi s VAL 36 N -1.95 2.31 -0.13 5.18 1.01 -1.25 -1.06 120.40 124.50 1wfi s VAL 36 Ca 0.31 -1.58 -0.04 0.00 0.00 0.00 0.00 61.98 60.67 1wfi s VAL 36 Cb 0.24 -2.89 0.07 0.00 0.00 0.00 0.00 36.38 33.80 1wfi s VAL 36 CO 0.08 0.00 0.20 -0.69 0.00 0.00 0.00 175.10 174.69 1wfi s VAL 37 N -2.59 -0.30 -0.22 2.92 1.01 0.25 -4.10 120.40 117.37 1wfi s VAL 37 Ca 0.42 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 1wfi s VAL 37 Cb 0.01 -0.46 0.09 0.00 0.00 0.00 0.00 36.38 36.02 1wfi s VAL 37 CO 0.23 0.01 0.15 -0.69 0.00 0.00 0.00 175.10 174.80 1wfi s VAL 38 N 2.32 -0.17 -0.96 2.92 1.01 -1.25 -0.45 120.40 123.82 1wfi s VAL 38 Ca 0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1wfi s VAL 38 Cb -0.13 -0.75 0.24 0.00 0.00 0.00 0.00 36.38 35.74 1wfi s VAL 38 CO -0.08 -0.41 0.88 -0.62 0.00 0.00 0.00 175.10 174.87 1wfi s ASP 39 N 2.19 6.38 -0.84 3.32 2.15 0.45 -4.99 116.67 125.34 1wfi s ASP 39 Ca 0.06 -3.70 -0.25 0.00 0.43 0.00 0.00 52.55 49.09 1wfi s ASP 39 Cb -0.16 -1.99 0.02 0.00 -0.30 0.00 0.00 42.92 40.49 1wfi s ASP 39 CO -0.20 -0.21 1.47 -0.63 -0.17 0.00 0.00 175.17 175.44 1wfi s ILE 40 N -1.34 3.72 0.52 4.11 1.01 -1.26 -2.17 121.20 125.79 1wfi s ILE 40 Ca 0.28 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.87 1wfi s ILE 40 Cb -0.08 -4.77 0.05 0.00 0.01 0.00 0.00 42.46 37.67 1wfi s ILE 40 CO -0.11 -1.69 0.72 -1.10 0.00 0.00 0.00 174.94 172.76 1wfi s GLN 41 N 5.74 2.51 0.09 2.79 -1.52 0.87 -4.78 119.66 125.37 1wfi s GLN 41 Ca 0.46 -1.18 -0.22 0.00 -1.95 0.00 0.00 55.36 52.47 1wfi s GLN 41 Cb -0.05 -2.61 -0.12 0.00 -0.22 0.00 0.00 33.01 30.00 1wfi s GLN 41 CO 0.05 -0.65 1.72 -0.09 -0.25 0.00 0.00 175.29 176.07 1wfi h ARG 42 N 0.26 0.11 -1.37 2.91 9.65 -1.94 -3.30 114.38 120.70 1wfi h ARG 42 Ca -0.38 -0.01 -0.48 0.00 -1.10 0.00 0.00 59.98 58.01 1wfi h ARG 42 Cb 1.28 -0.02 -0.41 0.00 -1.39 0.00 0.00 29.97 29.43 1wfi h ARG 42 CO 0.46 0.11 -0.98 -2.13 2.80 0.00 0.00 179.97 180.23 1wfi n ARG 43 N -5.01 2.17 -3.59 0.20 0.63 -1.26 0.90 116.66 110.70 1wfi n ARG 43 Ca -0.06 -3.86 0.01 0.00 -0.92 0.00 0.00 57.85 53.02 1wfi n ARG 43 Cb 0.05 -1.74 -0.06 0.00 0.45 0.00 0.00 32.46 31.16 1wfi n ARG 43 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1wfi s HIS 44 N -3.26 -0.32 -0.28 -0.14 2.46 -1.24 -2.19 115.29 110.32 1wfi s HIS 44 Ca 0.38 0.62 0.03 0.00 0.47 0.00 0.00 55.06 56.56 1wfi s HIS 44 Cb 0.42 0.19 0.07 0.00 -0.13 0.00 0.00 32.58 33.13 1wfi s HIS 44 CO -0.07 -0.16 -0.06 -1.17 -2.47 0.00 0.00 174.74 170.81 1wfi s LEU 45 N 1.35 3.78 -0.22 8.88 2.96 -1.00 -0.09 118.68 134.33 1wfi s LEU 45 Ca -0.07 -1.60 -0.03 0.00 -0.22 0.00 0.00 54.13 52.20 1wfi s LEU 45 Cb -0.03 -1.56 -0.00 0.00 0.50 0.00 0.00 46.19 45.10 1wfi s LEU 45 CO -0.13 -0.24 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.00 1wfi s ARG 46 N 1.06 3.25 0.17 1.98 3.52 -0.92 -2.95 118.95 125.05 1wfi s ARG 46 Ca -0.03 -0.70 0.06 0.00 -0.13 0.00 0.00 55.73 54.93 1wfi s ARG 46 Cb -0.20 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 1wfi s ARG 46 CO -0.06 -0.23 -0.13 0.08 -0.81 0.00 0.00 175.30 174.15 1wfi s VAL 47 N 1.44 1.47 -4.64 7.11 1.01 -0.49 0.17 120.40 126.47 1wfi s VAL 47 Ca 0.05 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 59.99 1wfi s VAL 47 Cb -0.14 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1wfi s VAL 47 CO -0.04 -0.59 0.00 0.61 0.00 0.00 0.00 175.10 175.08 1wfi n GLY 48 N -0.08 -2.82 3.64 4.51 0.00 0.41 -0.77 105.19 110.09 1wfi n GLY 48 Ca -0.11 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 1wfi n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfi s LEU 49 N 0.00 3.70 -0.13 0.99 1.43 -1.26 0.88 118.68 124.30 1wfi s LEU 49 Ca 0.00 0.10 -0.40 0.00 -1.03 0.00 0.00 54.13 52.79 1wfi s LEU 49 Cb 0.00 -1.90 -0.18 0.00 0.03 0.00 0.00 46.19 44.14 1wfi s LEU 49 CO 0.00 0.25 1.41 1.17 0.23 0.00 0.00 176.35 179.41 1wfi n LYS 50 N 3.02 0.66 0.00 1.70 4.81 -0.23 0.20 118.16 128.32 1wfi n LYS 50 Ca -0.18 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 1wfi n LYS 50 Cb 0.53 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.75 1wfi n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wfi n GLY 51 N 2.92 2.77 3.96 3.14 0.00 -1.26 -4.92 105.19 111.79 1wfi n GLY 51 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 1wfi n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wfi s GLN 52 N -0.05 2.46 0.33 1.61 -0.21 0.53 -5.06 119.66 119.26 1wfi s GLN 52 Ca 0.00 -0.57 -0.27 0.00 0.02 0.00 0.00 55.36 54.54 1wfi s GLN 52 Cb 0.00 -2.38 -0.09 0.00 1.00 0.00 0.00 33.01 31.54 1wfi s GLN 52 CO 0.00 -0.87 1.07 -1.25 -2.12 0.00 0.00 175.29 172.12 1wfi s PRO 53 N -4.92 4.45 -0.44 2.91 0.04 -1.26 -4.39 135.00 131.38 1wfi s PRO 53 Ca 0.58 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 63.00 1wfi s PRO 53 Cb -0.10 -2.92 0.01 0.00 0.04 0.00 0.00 34.50 31.52 1wfi s PRO 53 CO 0.41 0.08 1.43 -1.25 0.04 0.00 0.00 177.00 177.71 1wfi s PRO 54 N -1.87 3.49 0.46 0.56 0.04 -1.26 -4.23 135.00 132.19 1wfi s PRO 54 Ca 0.50 0.85 0.16 0.00 0.04 0.00 0.00 61.00 62.55 1wfi s PRO 54 Cb -0.28 -4.06 1.12 0.00 0.04 0.00 0.00 34.50 31.33 1wfi s PRO 54 CO 0.35 -1.67 1.99 0.28 0.04 0.00 0.00 177.00 177.98 1wfi h VAL 55 N 6.47 0.86 -3.92 -0.36 2.07 -1.33 -3.39 116.25 116.65 1wfi h VAL 55 Ca -0.27 -0.10 -0.68 0.00 0.82 0.00 0.00 66.70 66.46 1wfi h VAL 55 Cb 1.11 0.53 -0.28 0.00 -1.52 0.00 0.00 31.29 31.13 1wfi h VAL 55 CO 1.11 0.05 -0.82 -0.69 0.02 0.00 0.00 177.57 177.24 1wfi s VAL 56 N -5.29 2.58 -0.31 2.57 1.01 -0.99 -4.85 120.40 115.13 1wfi s VAL 56 Ca -0.07 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1wfi s VAL 56 Cb 0.20 -1.99 0.19 0.00 0.00 0.00 0.00 36.38 34.77 1wfi s VAL 56 CO 0.74 0.57 1.03 -0.62 0.00 0.00 0.00 175.10 176.82 1wfi s ASP 57 N -0.27 -0.44 -0.18 3.32 2.15 -1.15 -1.40 116.67 118.70 1wfi s ASP 57 Ca 0.01 -0.04 -0.35 0.00 0.43 0.00 0.00 52.55 52.60 1wfi s ASP 57 Cb -0.13 1.04 0.15 0.00 -0.30 0.00 0.00 42.92 43.68 1wfi s ASP 57 CO 0.03 -0.07 1.37 -0.83 -0.17 0.00 0.00 175.17 175.50 1wfi s GLY 58 N 2.62 -0.35 -0.20 2.66 0.00 -1.25 -3.10 107.32 107.71 1wfi s GLY 58 Ca 0.23 1.39 -0.29 0.00 0.00 0.00 0.00 44.72 46.05 1wfi s GLY 58 CO -0.20 0.40 1.26 1.85 0.00 0.00 0.00 173.10 176.40 1wfi s GLU 59 N -2.12 4.17 1.10 2.90 2.12 -1.26 -2.39 118.70 123.23 1wfi s GLU 59 Ca 0.13 1.56 -0.19 0.00 0.36 0.00 0.00 54.97 56.83 1wfi s GLU 59 Cb 0.03 -3.78 0.08 0.00 0.26 0.00 0.00 34.13 30.72 1wfi s GLU 59 CO -0.04 -0.79 -0.05 1.28 -0.54 0.00 0.00 175.26 175.12 1wfi n LEU 60 N 6.80 -2.21 0.12 2.70 4.77 -0.93 0.18 117.00 128.44 1wfi n LEU 60 Ca 0.14 -0.08 0.12 0.00 -0.03 0.00 0.00 56.01 56.16 1wfi n LEU 60 Cb 0.45 -0.95 0.48 0.00 -2.33 0.00 0.00 43.42 41.07 1wfi n LEU 60 CO 0.57 -3.11 0.86 0.00 -1.33 0.00 0.00 177.39 174.38 1wfi n TYR 61 N -4.31 0.82 -3.63 -1.77 4.19 -1.03 -4.12 117.16 107.31 1wfi n TYR 61 Ca 0.01 0.31 -0.02 0.00 3.31 0.00 0.00 57.90 61.51 1wfi n TYR 61 Cb 0.62 -1.00 -0.02 0.00 0.49 0.00 0.00 39.34 39.44 1wfi n TYR 61 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1wfi s ASN 62 N -4.27 -0.03 0.62 2.98 3.84 -1.26 -5.01 114.94 111.80 1wfi s ASN 62 Ca 0.05 -0.01 -0.18 0.00 0.21 0.00 0.00 52.86 52.94 1wfi s ASN 62 Cb 0.10 0.04 -0.07 0.00 -0.55 0.00 0.00 41.25 40.77 1wfi s ASN 62 CO 0.42 -0.06 0.62 -0.62 -2.79 0.00 0.00 177.10 174.67 1wfi n GLU 63 N -0.09 0.53 -3.74 0.43 1.02 -1.25 -4.66 120.64 112.87 1wfi n GLU 63 Ca 0.03 0.21 -0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1wfi n GLU 63 Cb 0.58 -1.83 -0.11 0.00 -0.02 0.00 0.00 31.44 30.05 1wfi n GLU 63 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1wfi s VAL 64 N -1.73 -0.01 -0.35 2.62 -7.23 0.26 -3.90 120.40 110.06 1wfi s VAL 64 Ca 0.70 0.05 -0.28 0.00 -1.81 0.00 0.00 61.98 60.64 1wfi s VAL 64 Cb -0.41 -0.46 -0.06 0.00 0.56 0.00 0.00 36.38 36.00 1wfi s VAL 64 CO 0.54 0.02 2.31 1.17 -0.31 0.00 0.00 175.10 178.83 1wfi n LYS 65 N 3.41 1.50 0.10 4.82 4.81 0.18 -4.31 118.16 128.68 1wfi n LYS 65 Ca -0.17 0.29 -0.16 0.00 -0.87 0.00 0.00 58.31 57.39 1wfi n LYS 65 Cb 0.56 -3.26 -0.14 0.00 0.02 0.00 0.00 35.03 32.21 1wfi n LYS 65 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1wfi h VAL 66 N 7.40 1.46 -0.29 3.15 -1.51 -1.84 -3.21 116.25 121.41 1wfi h VAL 66 Ca -0.33 -3.03 0.09 0.00 -1.23 0.00 0.00 66.70 62.20 1wfi h VAL 66 Cb 1.26 2.93 -0.01 0.00 -2.13 0.00 0.00 31.29 33.34 1wfi h VAL 66 CO 1.05 0.88 0.22 -0.33 -1.23 0.00 0.00 177.57 178.17 1wfi h GLU 67 N 0.08 0.00 -0.71 5.19 5.08 -1.91 0.22 114.58 122.53 1wfi h GLU 67 Ca -0.15 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.87 1wfi h GLU 67 Cb 1.99 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 31.03 1wfi h GLU 67 CO 0.20 0.00 0.32 0.39 -1.00 0.00 0.00 179.01 178.92 1wfi n GLU 68 N -4.38 2.26 -2.52 2.33 1.02 -1.21 -4.98 120.64 113.15 1wfi n GLU 68 Ca 0.04 -3.08 -0.24 0.00 -0.02 0.00 0.00 57.16 53.86 1wfi n GLU 68 Cb 0.38 -2.04 0.10 0.00 -0.02 0.00 0.00 31.44 29.87 1wfi n GLU 68 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1wfi s SER 69 N -1.77 4.38 0.00 1.62 1.04 0.76 -4.65 113.70 115.08 1wfi s SER 69 Ca 0.52 -0.22 -0.30 0.00 0.48 0.00 0.00 55.95 56.43 1wfi s SER 69 Cb 0.44 -0.20 0.11 0.00 0.10 0.00 0.00 66.02 66.47 1wfi s SER 69 CO 0.07 -1.83 1.22 -0.55 0.98 0.00 0.00 173.24 173.12 1wfi s SER 70 N -4.70 -0.09 -0.08 7.02 0.15 -0.83 -4.99 113.70 110.18 1wfi s SER 70 Ca 0.65 -0.17 -0.30 0.00 0.70 0.00 0.00 55.95 56.83 1wfi s SER 70 Cb -0.06 0.22 0.11 0.00 -1.71 0.00 0.00 66.02 64.59 1wfi s SER 70 CO 0.44 -0.41 0.96 -1.66 1.20 0.00 0.00 173.24 173.77 1wfi s TRP 71 N -2.59 -0.34 0.30 3.44 1.48 -1.26 0.19 118.94 120.16 1wfi s TRP 71 Ca 0.13 0.37 -0.09 0.00 -1.06 0.00 0.00 56.10 55.45 1wfi s TRP 71 Cb 0.03 0.50 0.01 0.00 -1.16 0.00 0.00 33.47 32.85 1wfi s TRP 71 CO -0.03 -0.44 0.51 -0.48 -4.06 0.00 0.00 176.95 172.45 1wfi s LEU 72 N -1.92 0.57 -0.31 -4.66 0.05 0.76 -4.98 118.68 108.20 1wfi s LEU 72 Ca 0.03 -1.19 -0.03 0.00 0.05 0.00 0.00 54.13 52.99 1wfi s LEU 72 Cb -0.01 1.75 0.05 0.00 -2.05 0.00 0.00 46.19 45.93 1wfi s LEU 72 CO -0.04 -1.27 0.03 -0.63 -0.55 0.00 0.00 176.35 173.89 1wfi s ILE 73 N -3.42 3.17 0.17 1.48 1.01 -1.26 0.02 121.20 122.36 1wfi s ILE 73 Ca 0.25 -1.34 -0.23 0.00 0.00 0.00 0.00 60.65 59.33 1wfi s ILE 73 Cb -0.01 -2.82 -0.08 0.00 0.01 0.00 0.00 42.46 39.56 1wfi s ILE 73 CO 0.14 -0.13 0.73 -1.61 0.00 0.00 0.00 174.94 174.07 1wfi s GLU 74 N 1.28 4.42 -1.38 2.79 0.41 0.60 -3.56 118.70 123.27 1wfi s GLU 74 Ca -0.04 1.01 0.00 0.00 -0.41 0.00 0.00 54.97 55.53 1wfi s GLU 74 Cb -0.20 -3.14 0.00 0.00 -1.78 0.00 0.00 34.13 29.01 1wfi s GLU 74 CO -0.00 0.53 0.00 -0.25 -0.49 0.00 0.00 175.26 175.05 1wfi n ASP 75 N 1.35 -3.84 -3.94 -0.19 9.92 -1.26 0.01 116.55 118.60 1wfi n ASP 75 Ca -0.05 0.28 -0.29 0.00 -0.53 0.00 0.00 54.79 54.21 1wfi n ASP 75 Cb 0.50 -3.46 0.01 0.00 -0.64 0.00 0.00 41.12 37.52 1wfi n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wfi n GLY 76 N -0.44 -0.39 1.70 0.44 0.00 -1.23 -4.60 105.19 100.67 1wfi n GLY 76 Ca -0.15 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1wfi n GLY 76 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wfi n LYS 77 N -4.48 0.00 -2.27 1.61 2.85 -0.04 -1.84 118.16 113.98 1wfi n LYS 77 Ca -0.10 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.74 1wfi n LYS 77 Cb 0.58 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.93 1wfi n LYS 77 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1wfi s VAL 78 N -2.00 3.56 -0.32 0.58 1.01 0.10 -3.84 120.40 119.49 1wfi s VAL 78 Ca 0.00 1.15 -0.11 0.00 0.00 0.00 0.00 61.98 63.01 1wfi s VAL 78 Cb 0.00 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1wfi s VAL 78 CO 0.00 0.10 0.20 -0.69 0.00 0.00 0.00 175.10 174.72 1wfi s VAL 79 N 0.90 5.08 -0.10 2.92 1.01 0.18 0.22 120.40 130.61 1wfi s VAL 79 Ca 0.61 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.37 1wfi s VAL 79 Cb -0.34 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1wfi s VAL 79 CO 0.31 0.07 0.00 0.42 0.00 0.00 0.00 175.10 175.90 1wfi s THR 80 N 1.70 4.29 0.03 3.92 -4.23 0.10 0.60 115.64 122.05 1wfi s THR 80 Ca 0.06 -0.25 0.09 0.00 -1.18 0.00 0.00 61.69 60.41 1wfi s THR 80 Cb -0.17 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 1wfi s THR 80 CO 0.09 0.58 -0.26 -0.69 -0.54 0.00 0.00 174.62 173.81 1wfi s VAL 81 N -0.66 2.07 -0.30 2.29 1.01 0.21 -0.17 120.40 124.85 1wfi s VAL 81 Ca 0.11 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 1wfi s VAL 81 Cb -0.12 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.56 1wfi s VAL 81 CO 0.02 0.40 -0.01 -2.28 0.00 0.00 0.00 175.10 173.23 1wfi s HIS 82 N -0.76 3.28 0.06 5.22 2.46 0.50 -0.53 115.29 125.52 1wfi s HIS 82 Ca 0.11 -1.99 0.01 0.00 0.47 0.00 0.00 55.06 53.66 1wfi s HIS 82 Cb -0.10 -2.12 -0.04 0.00 -0.13 0.00 0.00 32.58 30.19 1wfi s HIS 82 CO 0.01 -0.83 0.14 -0.51 -2.47 0.00 0.00 174.74 171.09 1wfi s LEU 83 N 1.21 4.08 -0.06 8.88 1.43 -1.04 -1.96 118.68 131.23 1wfi s LEU 83 Ca -0.05 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 1wfi s LEU 83 Cb -0.20 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.35 1wfi s LEU 83 CO -0.02 0.19 -0.14 -0.70 0.23 0.00 0.00 176.35 175.91 1wfi s GLU 84 N -2.35 1.81 0.65 1.70 2.56 -1.26 0.14 118.70 121.95 1wfi s GLU 84 Ca 0.31 -0.47 -0.14 0.00 0.00 0.00 0.00 54.97 54.67 1wfi s GLU 84 Cb -0.13 -1.49 -0.01 0.00 2.00 0.00 0.00 34.13 34.51 1wfi s GLU 84 CO 0.24 0.07 1.07 0.15 -0.56 0.00 0.00 175.26 176.22 1wfi s LYS 85 N 0.55 3.06 0.08 4.30 1.02 -1.02 0.50 119.74 128.22 1wfi s LYS 85 Ca -0.13 1.15 0.04 0.00 0.02 0.00 0.00 55.97 57.04 1wfi s LYS 85 Cb -0.15 -2.00 -0.23 0.00 -0.52 0.00 0.00 37.83 34.92 1wfi s LYS 85 CO 0.04 -1.01 1.12 0.82 -0.92 0.00 0.00 175.35 175.40 1wfi h ILE 86 N -0.08 1.49 0.00 2.17 1.08 -1.89 -3.37 117.51 116.91 1wfi h ILE 86 Ca -0.46 -3.19 -0.36 0.00 -0.39 0.00 0.00 64.86 60.46 1wfi h ILE 86 Cb 1.22 2.80 -0.06 0.00 -3.07 0.00 0.00 36.82 37.71 1wfi h ILE 86 CO 0.56 0.88 -2.36 -0.46 -0.69 0.00 0.00 178.15 176.08 1wfi n ASN 87 N -3.36 2.13 -2.50 1.72 0.23 -1.26 -5.01 115.26 107.21 1wfi n ASN 87 Ca -0.06 -0.10 -0.12 0.00 -0.53 0.00 0.00 54.58 53.77 1wfi n ASN 87 Cb 0.98 -0.40 0.05 0.00 -2.08 0.00 0.00 39.78 38.34 1wfi n ASN 87 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1wfi n LYS 88 N -3.25 -4.37 -2.46 -3.83 5.02 -1.26 -4.94 118.16 103.08 1wfi n LYS 88 Ca -0.43 0.53 -0.03 0.00 -2.02 0.00 0.00 58.31 56.36 1wfi n LYS 88 Cb 0.94 -4.61 0.06 0.00 -0.02 0.00 0.00 35.03 31.41 1wfi n LYS 88 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wfi n MET 89 N -3.05 0.75 -3.72 1.97 0.00 -1.17 -4.37 117.12 107.53 1wfi n MET 89 Ca -0.13 -1.02 -0.12 0.00 0.00 0.00 0.00 57.70 56.42 1wfi n MET 89 Cb 0.59 0.10 -0.11 0.00 0.00 0.00 0.00 33.22 33.80 1wfi n MET 89 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1wfi s GLU 90 N 0.10 0.40 -0.04 3.17 2.56 -1.26 -5.06 118.70 118.57 1wfi s GLU 90 Ca 0.10 0.63 -0.22 0.00 0.00 0.00 0.00 54.97 55.47 1wfi s GLU 90 Cb 0.25 0.09 -0.04 0.00 2.00 0.00 0.00 34.13 36.42 1wfi s GLU 90 CO -0.06 -0.10 0.64 -0.46 -0.56 0.00 0.00 175.26 174.72 1wfi s TRP 91 N 0.76 3.62 0.01 5.30 -0.11 -1.26 -4.66 118.94 122.61 1wfi s TRP 91 Ca -0.05 1.21 -0.13 0.00 1.22 0.00 0.00 56.10 58.35 1wfi s TRP 91 Cb -0.06 -2.71 -0.06 0.00 -1.50 0.00 0.00 33.47 29.15 1wfi s TRP 91 CO -0.05 0.21 0.39 -1.58 -4.62 0.00 0.00 176.95 171.29 1wfi s TRP 92 N 0.35 3.69 -2.44 5.86 0.52 -1.26 -4.96 118.94 120.70 1wfi s TRP 92 Ca 0.34 0.92 0.23 0.00 0.02 0.00 0.00 56.10 57.61 1wfi s TRP 92 Cb -0.18 -2.24 0.11 0.00 -1.15 0.00 0.00 33.47 30.02 1wfi s TRP 92 CO 0.17 0.62 1.18 -1.71 0.02 0.00 0.00 176.95 177.24 1wfi n ASN 93 N 1.63 2.40 -3.59 2.95 2.85 -1.26 -4.95 115.26 115.29 1wfi n ASN 93 Ca -0.13 -1.70 -0.10 0.00 -0.11 0.00 0.00 54.58 52.54 1wfi n ASN 93 Cb 0.52 0.26 -0.05 0.00 1.24 0.00 0.00 39.78 41.76 1wfi n ASN 93 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wfi s ARG 94 N -2.27 0.56 0.01 1.20 1.04 -1.26 -4.68 118.95 113.55 1wfi s ARG 94 Ca 0.23 0.18 -0.25 0.00 -1.04 0.00 0.00 55.73 54.85 1wfi s ARG 94 Cb 0.19 0.27 -0.17 0.00 -2.04 0.00 0.00 34.95 33.20 1wfi s ARG 94 CO 0.45 -0.17 1.26 1.25 -0.04 0.00 0.00 175.30 178.06 1wfi h LEU 95 N 2.70 -0.34 -8.62 -1.89 7.12 -1.96 -3.38 115.31 108.95 1wfi h LEU 95 Ca -0.19 -0.18 -0.56 0.00 0.13 0.00 0.00 57.88 57.09 1wfi h LEU 95 Cb 1.16 0.09 -0.23 0.00 -0.53 0.00 0.00 40.66 41.15 1wfi h LEU 95 CO 0.29 0.02 -0.83 0.68 -0.13 0.00 0.00 178.44 178.47 1wfi s VAL 96 N -4.74 1.67 0.24 1.05 -7.23 -1.26 -2.46 120.40 107.66 1wfi s VAL 96 Ca -0.14 -1.43 0.05 0.00 -1.81 0.00 0.00 61.98 58.65 1wfi s VAL 96 Cb 0.02 -1.50 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 1wfi s VAL 96 CO 0.56 0.01 1.55 0.71 -0.31 0.00 0.00 175.10 177.61 1wfi h THR 97 N 4.17 1.41 -3.51 5.32 1.35 0.18 -3.41 112.91 118.42 1wfi h THR 97 Ca -0.45 -2.09 -0.59 0.00 -0.55 0.00 0.00 66.41 62.73 1wfi h THR 97 Cb 1.18 2.09 -0.39 0.00 -1.73 0.00 0.00 68.15 69.29 1wfi h THR 97 CO 0.41 0.61 -0.77 -0.94 -0.25 0.00 0.00 175.52 174.58 1wfi s SER 98 N -6.89 3.78 0.99 5.36 1.04 -1.26 -4.99 113.70 111.73 1wfi s SER 98 Ca -0.03 -1.25 -0.17 0.00 0.48 0.00 0.00 55.95 54.99 1wfi s SER 98 Cb 0.12 -1.07 -0.06 0.00 0.10 0.00 0.00 66.02 65.11 1wfi s SER 98 CO 0.79 -0.28 -0.35 -0.90 0.98 0.00 0.00 173.24 173.48 1wfi n ASP 99 N 4.73 -3.88 0.00 7.02 5.68 -1.26 -4.21 116.55 124.62 1wfi n ASP 99 Ca -0.09 0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.39 1wfi n ASP 99 Cb 0.44 -0.92 0.00 0.00 -1.14 0.00 0.00 41.12 39.50 1wfi n ASP 99 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1wfi n PRO 100 N 0.46 0.00 0.00 0.11 -0.04 -1.18 -4.78 135.00 129.57 1wfi n PRO 100 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1wfi n PRO 100 Cb 0.58 -0.33 0.00 0.00 -0.04 0.00 0.00 33.50 33.71 1wfi n PRO 100 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wfi n GLU 101 N -0.21 0.00 -2.33 0.54 1.02 -1.26 -5.00 120.64 113.40 1wfi n GLU 101 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 1wfi n GLU 101 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.51 1wfi n GLU 101 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wfi s ILE 102 N 0.00 2.25 -0.08 -3.67 1.01 -1.26 -5.02 121.20 114.42 1wfi s ILE 102 Ca 0.00 -0.38 0.20 0.00 0.00 0.00 0.00 60.65 60.47 1wfi s ILE 102 Cb 0.00 -2.87 0.41 0.00 0.01 0.00 0.00 42.46 40.01 1wfi s ILE 102 CO 0.00 0.00 1.18 0.59 0.00 0.00 0.00 174.94 176.71 1wfi n ASN 103 N -2.95 1.25 -0.38 3.58 3.02 -1.26 -5.01 115.26 113.52 1wfi n ASN 103 Ca 0.11 -2.71 0.00 0.00 -0.03 0.00 0.00 54.58 51.95 1wfi n ASN 103 Cb 0.60 -0.38 -0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1wfi n ASN 103 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1wfi n THR 104 N -0.14 0.00 -2.75 3.41 5.66 -1.26 -4.32 114.28 114.88 1wfi n THR 104 Ca 0.11 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.88 1wfi n THR 104 Cb 0.96 -0.01 0.11 0.00 -1.55 0.00 0.00 70.33 69.84 1wfi n THR 104 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1wfi s LYS 105 N -0.04 1.73 1.04 1.09 -2.85 -1.26 -5.00 119.74 114.45 1wfi s LYS 105 Ca 0.00 -1.40 -0.21 0.00 -1.00 0.00 0.00 55.97 53.36 1wfi s LYS 105 Cb 0.00 -2.42 -0.06 0.00 -2.06 0.00 0.00 37.83 33.29 1wfi s LYS 105 CO 0.00 -1.38 -0.68 1.17 0.10 0.00 0.00 175.35 174.56 1wfi n LYS 106 N -2.71 -0.61 0.00 1.78 4.81 -1.26 -4.86 118.16 115.30 1wfi n LYS 106 Ca 0.17 -0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1wfi n LYS 106 Cb 0.61 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 34.31 1wfi n LYS 106 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1wfi n ILE 107 N -3.71 0.00 -1.72 3.15 -0.00 -1.26 -4.30 119.36 111.51 1wfi n ILE 107 Ca -0.00 0.75 -0.42 0.00 -0.00 0.00 0.00 62.75 63.08 1wfi n ILE 107 Cb 0.66 -1.27 -0.03 0.00 -0.00 0.00 0.00 39.64 39.00 1wfi n ILE 107 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1wfi s ASN 108 N -2.96 6.37 -0.03 4.38 4.22 -1.26 -4.94 114.94 120.71 1wfi s ASN 108 Ca 0.00 2.89 -0.05 0.00 -2.14 0.00 0.00 52.86 53.56 1wfi s ASN 108 Cb 0.00 -2.60 -0.03 0.00 1.28 0.00 0.00 41.25 39.90 1wfi s ASN 108 CO 0.00 -0.98 0.33 1.55 -2.04 0.00 0.00 177.10 175.97 1wfi h PRO 109 N 6.59 -0.19 -0.14 3.55 0.13 -1.94 -3.49 132.00 136.52 1wfi h PRO 109 Ca -0.43 0.01 0.27 0.00 -0.87 0.00 0.00 66.00 64.98 1wfi h PRO 109 Cb 1.20 0.04 -0.25 0.00 0.13 0.00 0.00 31.00 32.13 1wfi h PRO 109 CO 0.94 -0.12 0.42 -1.21 -0.23 0.00 0.00 178.00 177.80 1wfi s GLU 110 N -2.16 0.05 -0.53 0.86 2.02 -1.26 -5.00 118.70 112.69 1wfi s GLU 110 Ca -0.03 0.11 0.07 0.00 0.02 0.00 0.00 54.97 55.14 1wfi s GLU 110 Cb 0.00 0.07 0.34 0.00 0.10 0.00 0.00 34.13 34.64 1wfi s GLU 110 CO 0.08 -0.03 0.90 -1.71 0.02 0.00 0.00 175.26 174.52 1wfi n ASN 111 N 4.96 3.62 -0.70 -0.19 5.15 -1.26 -4.78 115.26 122.06 1wfi n ASN 111 Ca -0.08 -3.53 0.04 0.00 -0.60 0.00 0.00 54.58 50.42 1wfi n ASN 111 Cb 0.55 -0.58 0.20 0.00 -0.53 0.00 0.00 39.78 39.42 1wfi n ASN 111 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wfi n SER 112 N -0.11 2.15 -4.85 1.20 7.64 -1.26 -5.02 113.62 113.37 1wfi n SER 112 Ca 0.30 -3.70 -0.30 0.00 1.01 0.00 0.00 58.87 56.18 1wfi n SER 112 Cb 0.45 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 1wfi n SER 112 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wfi s LYS 113 N -3.17 2.23 -0.22 1.43 1.02 -1.26 -5.13 119.74 114.65 1wfi s LYS 113 Ca 0.39 -2.22 -0.01 0.00 0.02 0.00 0.00 55.97 54.15 1wfi s LYS 113 Cb 0.37 -1.84 0.06 0.00 -0.52 0.00 0.00 37.83 35.90 1wfi s LYS 113 CO -0.03 -0.54 0.01 -1.17 -0.92 0.00 0.00 175.35 172.71 1wfi s LEU 114 N -4.12 1.81 -0.58 3.17 2.96 -1.26 -5.07 118.68 115.60 1wfi s LEU 114 Ca 0.20 -1.05 -0.38 0.00 -0.22 0.00 0.00 54.13 52.68 1wfi s LEU 114 Cb -0.01 -0.84 -0.17 0.00 0.50 0.00 0.00 46.19 45.67 1wfi s LEU 114 CO 0.12 -0.29 2.29 -1.54 -1.32 0.00 0.00 176.35 175.61 1wfi n SER 115 N 4.89 1.05 -2.76 3.68 3.41 -1.26 -4.77 113.62 117.86 1wfi n SER 115 Ca -0.09 0.44 -0.02 0.00 -0.26 0.00 0.00 58.87 58.94 1wfi n SER 115 Cb 0.45 -1.03 0.02 0.00 -0.26 0.00 0.00 64.21 63.40 1wfi n SER 115 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wfi s ASP 116 N 7.32 -0.69 0.36 4.04 2.15 -1.26 -5.16 116.67 123.43 1wfi s ASP 116 Ca 1.20 -0.69 -0.02 0.00 0.43 0.00 0.00 52.55 53.47 1wfi s ASP 116 Cb -1.22 0.90 0.01 0.00 -0.30 0.00 0.00 42.92 42.30 1wfi s ASP 116 CO 0.56 -0.04 0.50 -0.76 -0.17 0.00 0.00 175.17 175.26 1wfi s LEU 117 N 1.21 1.03 -0.30 -1.34 1.43 -1.26 -5.17 118.68 114.29 1wfi s LEU 117 Ca 0.23 -1.53 -0.15 0.00 -1.03 0.00 0.00 54.13 51.65 1wfi s LEU 117 Cb 0.06 1.54 0.15 0.00 0.03 0.00 0.00 46.19 47.98 1wfi s LEU 117 CO -0.10 -1.35 0.93 -0.62 0.23 0.00 0.00 176.35 175.45 1wfi s ASP 118 N -3.25 -0.64 0.00 2.29 2.15 -1.26 -5.16 116.67 110.80 1wfi s ASP 118 Ca 0.30 0.92 0.00 0.00 0.43 0.00 0.00 52.55 54.20 1wfi s ASP 118 Cb -0.01 1.58 0.00 0.00 -0.30 0.00 0.00 42.92 44.19 1wfi s ASP 118 CO 0.21 -0.13 0.00 -0.24 -0.17 0.00 0.00 175.17 174.84 1wfi n SER 119 N 4.62 0.00 0.00 -0.34 2.88 -1.26 -5.18 113.62 114.33 1wfi n SER 119 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1wfi n SER 119 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1wfi n SER 119 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1wfi n GLU 120 N 0.00 2.35 -3.63 -1.46 0.28 -1.26 -5.19 120.64 111.72 1wfi n GLU 120 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1wfi n GLU 120 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 1wfi n GLU 120 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1wfi s THR 121 N 2.41 0.00 0.00 3.84 -1.32 -1.26 -5.17 115.64 114.14 1wfi s THR 121 Ca 0.00 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.23 1wfi s THR 121 Cb 0.00 -1.81 0.00 0.00 -1.51 0.00 0.00 72.50 69.18 1wfi s THR 121 CO 0.00 0.00 0.00 0.54 -2.21 0.00 0.00 174.62 172.95 1wfi n ARG 122 N -0.42 0.00 -3.67 7.08 5.12 -1.26 -5.19 116.66 118.32 1wfi n ARG 122 Ca -0.07 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.88 1wfi n ARG 122 Cb 0.62 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.92 1wfi n ARG 122 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wfi s SER 123 N 0.00 -0.02 0.28 0.55 0.01 -1.26 -5.19 113.70 108.08 1wfi s SER 123 Ca 0.00 -0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.22 1wfi s SER 123 Cb 0.00 0.07 -0.06 0.00 0.21 0.00 0.00 66.02 66.25 1wfi s SER 123 CO 0.00 -0.14 0.06 -0.32 0.41 0.00 0.00 173.24 173.25 1wfi s MET 124 N -2.15 1.51 -0.24 12.44 1.75 -1.26 -5.15 119.30 126.21 1wfi s MET 124 Ca 0.18 -1.82 -0.06 0.00 -1.25 0.00 0.00 55.69 52.75 1wfi s MET 124 Cb 0.05 -0.63 0.12 0.00 2.84 0.00 0.00 34.83 37.22 1wfi s MET 124 CO -0.05 -0.20 0.47 0.54 -0.65 0.00 0.00 175.02 175.13 1wfi s VAL 125 N -3.47 -0.74 0.20 10.11 0.11 -1.26 -5.16 120.40 120.19 1wfi s VAL 125 Ca 0.35 0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.51 1wfi s VAL 125 Cb 0.08 -0.80 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 1wfi s VAL 125 CO 0.14 0.00 0.30 -0.94 -3.33 0.00 0.00 175.10 171.27 1wfi s SER 126 N 2.67 6.20 -0.37 3.54 1.04 -1.26 -5.09 113.70 120.43 1wfi s SER 126 Ca 0.04 0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.57 1wfi s SER 126 Cb -0.13 -1.81 0.11 0.00 0.10 0.00 0.00 66.02 64.28 1wfi s SER 126 CO -0.16 -0.01 0.09 -0.83 0.98 0.00 0.00 173.24 173.32 1wfi s GLY 127 N -3.61 1.99 1.06 7.32 0.00 -1.26 -5.11 107.32 107.71 1wfi s GLY 127 Ca 0.34 -2.63 -0.17 0.00 0.00 0.00 0.00 44.72 42.26 1wfi s GLY 127 CO 0.28 0.99 1.21 2.56 0.00 0.00 0.00 173.10 178.13 1wfi s PRO 128 N 0.72 -0.07 0.50 2.90 0.04 -1.26 -5.09 135.00 132.73 1wfi s PRO 128 Ca 0.12 -0.17 0.06 0.00 0.04 0.00 0.00 61.00 61.05 1wfi s PRO 128 Cb -0.20 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1wfi s PRO 128 CO -0.07 -2.93 0.34 0.45 0.04 0.00 0.00 177.00 174.83 1wfi s SER 129 N -4.36 4.64 0.26 6.66 0.15 -1.26 -5.15 113.70 114.64 1wfi s SER 129 Ca 0.71 -1.16 -0.05 0.00 0.70 0.00 0.00 55.95 56.16 1wfi s SER 129 Cb -0.08 0.10 -0.02 0.00 -1.71 0.00 0.00 66.02 64.32 1wfi s SER 129 CO 0.54 -0.92 0.35 -0.44 1.20 0.00 0.00 173.24 173.97 1wfi s SER 130 N -4.17 0.40 0.00 5.45 0.01 -1.26 -5.34 113.70 108.78 1wfi s SER 130 Ca 0.36 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1wfi s SER 130 Cb -0.01 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1wfi s SER 130 CO 0.22 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.39