#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 -0.03 -3.60 1.61 7.64 -1.26 -5.11 113.62 112.87 1wfi n SER 2 Ca 0.00 0.37 -0.04 0.00 1.01 0.00 0.00 58.87 60.21 1wfi n SER 2 Cb 0.00 0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 63.45 1wfi n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfi s SER 3 N -5.09 -0.13 0.00 6.43 0.15 -1.26 -4.93 113.70 108.87 1wfi s SER 3 Ca 0.00 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1wfi s SER 3 Cb 0.00 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1wfi s SER 3 CO 0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1wfi n GLY 4 N 0.02 -0.52 2.85 9.45 0.00 -1.26 -5.03 105.19 110.70 1wfi n GLY 4 Ca 0.00 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 1wfi n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfi s SER 5 N -4.00 2.26 -0.09 1.61 1.04 -1.26 -4.94 113.70 108.33 1wfi s SER 5 Ca 0.00 -0.39 -0.32 0.00 0.48 0.00 0.00 55.95 55.73 1wfi s SER 5 Cb 0.00 -0.74 0.12 0.00 0.10 0.00 0.00 66.02 65.50 1wfi s SER 5 CO 0.00 -0.17 1.39 -0.55 0.98 0.00 0.00 173.24 174.89 1wfi s SER 6 N 1.77 -0.00 0.53 7.02 0.15 -1.26 -5.03 113.70 116.87 1wfi s SER 6 Ca 0.03 -0.03 -0.00 0.00 0.70 0.00 0.00 55.95 56.65 1wfi s SER 6 Cb -0.14 0.02 0.05 0.00 -1.71 0.00 0.00 66.02 64.25 1wfi s SER 6 CO -0.07 -0.05 0.37 0.61 1.20 0.00 0.00 173.24 175.30 1wfi n GLY 7 N -0.75 0.67 0.00 9.45 0.00 -1.26 -4.70 105.19 108.59 1wfi n GLY 7 Ca -0.01 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1wfi n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfi n PRO 8 N -1.69 0.47 -0.66 1.61 -0.04 -1.26 -3.99 135.00 129.45 1wfi n PRO 8 Ca 0.06 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1wfi n PRO 8 Cb 0.22 0.00 0.34 0.00 -0.04 0.00 0.00 33.50 34.02 1wfi n PRO 8 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wfi n ASN 9 N -1.06 4.83 -4.12 3.54 4.13 -1.26 -4.75 115.26 116.57 1wfi n ASN 9 Ca 0.00 -2.70 -0.10 0.00 1.68 0.00 0.00 54.58 53.45 1wfi n ASN 9 Cb 0.00 -0.59 -0.09 0.00 -1.54 0.00 0.00 39.78 37.56 1wfi n ASN 9 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1wfi s TYR 10 N -2.31 0.84 0.14 3.10 -0.85 -1.26 -4.84 117.35 112.17 1wfi s TYR 10 Ca 0.49 -1.17 0.07 0.00 -0.52 0.00 0.00 57.07 55.94 1wfi s TYR 10 Cb 0.35 -0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.26 1wfi s TYR 10 CO 0.18 -0.62 -0.01 -0.98 -1.52 0.00 0.00 175.55 172.60 1wfi s ARG 11 N -4.07 2.41 0.04 -3.49 1.70 -0.97 -5.01 118.95 109.57 1wfi s ARG 11 Ca 0.27 -1.02 -0.27 0.00 -0.47 0.00 0.00 55.73 54.24 1wfi s ARG 11 Cb 0.06 -2.40 0.09 0.00 -0.57 0.00 0.00 34.95 32.12 1wfi s ARG 11 CO 0.05 0.49 0.75 1.67 -1.08 0.00 0.00 175.30 177.17 1wfi s TRP 12 N -1.55 -0.48 0.04 5.89 1.48 -1.26 -0.75 118.94 122.31 1wfi s TRP 12 Ca 0.26 0.46 -0.00 0.00 -1.06 0.00 0.00 56.10 55.76 1wfi s TRP 12 Cb -0.10 0.52 0.00 0.00 -1.16 0.00 0.00 33.47 32.73 1wfi s TRP 12 CO 0.18 -0.66 0.05 0.25 -4.06 0.00 0.00 176.95 172.71 1wfi n THR 13 N -0.01 0.00 -3.64 0.66 -2.24 0.17 -4.94 114.28 104.28 1wfi n THR 13 Ca -0.14 -0.18 -0.02 0.00 -2.27 0.00 0.00 64.05 61.45 1wfi n THR 13 Cb 0.62 0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 1wfi n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfi s GLN 14 N -2.08 0.04 -0.32 -0.78 0.00 -1.26 -0.50 119.66 114.77 1wfi s GLN 14 Ca 0.03 0.00 0.08 0.00 -0.00 0.00 0.00 55.36 55.47 1wfi s GLN 14 Cb -0.00 0.02 0.46 0.00 0.00 0.00 0.00 33.01 33.48 1wfi s GLN 14 CO 0.02 -0.01 1.16 -2.37 0.00 0.00 0.00 175.29 174.09 1wfi n THR 15 N 0.40 2.38 -1.40 3.63 5.66 -0.93 -4.88 114.28 119.14 1wfi n THR 15 Ca 0.01 -4.25 -0.14 0.00 -3.05 0.00 0.00 64.05 56.63 1wfi n THR 15 Cb 0.58 -0.96 -0.06 0.00 -1.55 0.00 0.00 70.33 68.35 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 -0.64 -0.75 0.00 1.09 4.77 -1.26 -4.56 117.00 115.64 1wfi n LEU 16 Ca 0.40 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 1wfi n LEU 16 Cb 0.89 -2.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.43 1wfi n LEU 16 CO 0.36 -0.97 0.00 0.00 -1.33 0.00 0.00 177.39 175.45 1wfi n ALA 17 N 1.25 1.56 -2.53 -1.18 0.00 -1.26 -1.67 120.51 116.69 1wfi n ALA 17 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 1wfi n ALA 17 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.54 3.52 -0.09 0.00 4.04 -1.26 -2.27 118.70 122.10 1wfi s GLU 18 Ca 0.00 -0.14 0.03 0.00 0.04 0.00 0.00 54.97 54.90 1wfi s GLU 18 Cb 0.00 -2.58 0.01 0.00 0.02 0.00 0.00 34.13 31.57 1wfi s GLU 18 CO 0.00 0.06 -0.20 -0.51 -1.84 0.00 0.00 175.26 172.77 1wfi s LEU 19 N -4.33 1.94 -0.01 1.83 1.43 -0.42 -2.18 118.68 116.94 1wfi s LEU 19 Ca 0.42 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1wfi s LEU 19 Cb -0.10 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 1wfi s LEU 19 CO 0.38 0.11 0.03 -0.62 0.23 0.00 0.00 176.35 176.47 1wfi s ASP 20 N 0.53 5.35 -0.14 2.29 2.15 0.35 -1.00 116.67 126.20 1wfi s ASP 20 Ca -0.16 0.06 -0.15 0.00 0.43 0.00 0.00 52.55 52.73 1wfi s ASP 20 Cb -0.17 -1.46 0.04 0.00 -0.30 0.00 0.00 42.92 41.03 1wfi s ASP 20 CO 0.06 0.28 0.42 -0.22 -0.17 0.00 0.00 175.17 175.53 1wfi s LEU 21 N -1.60 0.41 -0.09 -1.34 2.96 -0.30 0.44 118.68 119.16 1wfi s LEU 21 Ca 0.21 0.76 -0.04 0.00 -0.22 0.00 0.00 54.13 54.83 1wfi s LEU 21 Cb -0.12 1.46 0.05 0.00 0.50 0.00 0.00 46.19 48.08 1wfi s LEU 21 CO 0.11 -0.20 0.19 0.00 -1.32 0.00 0.00 176.35 175.14 1wfi s ALA 22 N -0.00 -0.36 -0.28 5.97 0.00 0.07 0.96 121.76 128.12 1wfi s ALA 22 Ca -0.02 0.77 0.01 0.00 0.00 0.00 0.00 51.96 52.73 1wfi s ALA 22 Cb -0.03 -0.64 0.08 0.00 0.00 0.00 0.00 23.12 22.53 1wfi s ALA 22 CO 0.01 -0.31 0.02 0.08 0.00 0.00 0.00 175.76 175.57 1wfi s VAL 23 N 1.57 1.50 0.52 0.00 1.01 0.44 -2.28 120.40 123.16 1wfi s VAL 23 Ca -0.06 -1.55 -0.19 0.00 0.00 0.00 0.00 61.98 60.19 1wfi s VAL 23 Cb -0.11 -1.97 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 1wfi s VAL 23 CO -0.07 -0.40 1.04 -2.16 0.00 0.00 0.00 175.10 173.51 1wfi s PRO 24 N 1.35 3.66 0.07 2.72 0.04 -1.26 -0.01 135.00 141.55 1wfi s PRO 24 Ca 0.03 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.39 1wfi s PRO 24 Cb -0.18 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1wfi s PRO 24 CO -0.12 -0.54 -0.09 -0.06 0.04 0.00 0.00 177.00 176.22 1wfi s PHE 25 N -2.16 0.87 -1.07 0.56 0.08 -1.05 -4.90 117.98 110.31 1wfi s PHE 25 Ca 0.66 -0.60 -0.18 0.00 0.12 0.00 0.00 56.93 56.92 1wfi s PHE 25 Cb -0.16 -0.50 0.11 0.00 -0.57 0.00 0.00 43.02 41.90 1wfi s PHE 25 CO 0.26 -0.06 1.36 1.03 -0.10 0.00 0.00 175.22 177.72 1wfi s ARG 26 N -2.27 3.77 0.22 0.44 1.81 -1.26 -4.82 118.95 116.85 1wfi s ARG 26 Ca -0.02 -1.84 0.05 0.00 -1.72 0.00 0.00 55.73 52.20 1wfi s ARG 26 Cb -0.06 -5.15 -0.05 0.00 -0.45 0.00 0.00 34.95 29.25 1wfi s ARG 26 CO -0.00 -1.94 -0.05 0.14 -0.68 0.00 0.00 175.30 172.77 1wfi s VAL 27 N 3.18 1.26 -0.51 3.52 -7.23 -1.26 -5.04 120.40 114.31 1wfi s VAL 27 Ca 0.41 -2.07 0.05 0.00 -1.81 0.00 0.00 61.98 58.56 1wfi s VAL 27 Cb -0.02 -2.25 0.09 0.00 0.56 0.00 0.00 36.38 34.77 1wfi s VAL 27 CO -0.05 -0.42 0.90 -0.24 -0.31 0.00 0.00 175.10 174.98 1wfi n SER 28 N -0.41 1.95 -4.38 4.85 2.88 -1.26 -5.03 113.62 112.22 1wfi n SER 28 Ca -0.06 -1.63 -0.27 0.00 -1.33 0.00 0.00 58.87 55.58 1wfi n SER 28 Cb 0.63 -0.06 -0.09 0.00 -0.75 0.00 0.00 64.21 63.94 1wfi n SER 28 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1wfi s PHE 29 N -0.73 1.90 -0.59 0.66 -0.12 -1.26 -5.10 117.98 112.74 1wfi s PHE 29 Ca 0.08 -1.08 -0.18 0.00 -0.05 0.00 0.00 56.93 55.70 1wfi s PHE 29 Cb 0.05 -1.34 0.11 0.00 -0.63 0.00 0.00 43.02 41.21 1wfi s PHE 29 CO 0.07 -0.05 0.66 1.03 -0.05 0.00 0.00 175.22 176.88 1wfi s ARG 30 N -3.79 3.05 0.38 1.99 0.52 -1.25 -4.66 118.95 115.19 1wfi s ARG 30 Ca 0.23 -1.47 -0.24 0.00 -0.52 0.00 0.00 55.73 53.74 1wfi s ARG 30 Cb 0.04 -4.29 -0.13 0.00 0.52 0.00 0.00 34.95 31.09 1wfi s ARG 30 CO 0.12 -1.48 0.70 1.28 0.02 0.00 0.00 175.30 175.94 1wfi n LEU 31 N 5.98 0.64 -0.14 2.53 4.77 -1.15 -4.92 117.00 124.71 1wfi n LEU 31 Ca -0.10 0.99 -0.27 0.00 -0.03 0.00 0.00 56.01 56.60 1wfi n LEU 31 Cb 0.42 -1.17 -0.10 0.00 -2.33 0.00 0.00 43.42 40.24 1wfi n LEU 31 CO 0.56 -2.41 -1.43 0.29 -1.33 0.00 0.00 177.39 173.07 1wfi n LYS 32 N 0.56 0.60 0.00 3.23 5.02 -1.26 -4.78 118.16 121.53 1wfi n LYS 32 Ca 0.11 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1wfi n LYS 32 Cb 0.37 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1wfi n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wfi n GLY 33 N 1.48 0.79 0.57 0.72 0.00 -1.26 -4.91 105.19 102.59 1wfi n GLY 33 Ca -0.53 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 1.59 -0.07 1.61 2.85 -1.26 -3.68 118.16 119.19 1wfi n LYS 34 Ca 0.00 -1.15 0.04 0.00 -1.05 0.00 0.00 58.31 56.15 1wfi n LYS 34 Cb 0.00 -1.48 0.08 0.00 -0.65 0.00 0.00 35.03 32.98 1wfi n LYS 34 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1wfi n ASP 35 N 0.30 2.26 -4.51 -5.58 8.00 -1.26 -4.99 116.55 110.77 1wfi n ASP 35 Ca 0.14 -1.72 -0.24 0.00 0.71 0.00 0.00 54.79 53.68 1wfi n ASP 35 Cb 0.45 -0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 41.34 1wfi n ASP 35 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wfi s VAL 36 N -0.86 1.99 -0.18 2.53 0.11 -1.24 -2.44 120.40 120.31 1wfi s VAL 36 Ca 0.14 -2.16 -0.00 0.00 -2.93 0.00 0.00 61.98 57.02 1wfi s VAL 36 Cb 0.08 -2.61 0.04 0.00 -1.53 0.00 0.00 36.38 32.37 1wfi s VAL 36 CO 0.11 -0.22 -0.05 0.68 -3.33 0.00 0.00 175.10 172.29 1wfi s VAL 37 N -2.77 1.16 -0.37 2.04 -7.23 0.49 -4.56 120.40 109.17 1wfi s VAL 37 Ca 0.32 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1wfi s VAL 37 Cb 0.04 -1.35 0.13 0.00 0.56 0.00 0.00 36.38 35.75 1wfi s VAL 37 CO 0.15 0.10 0.19 -0.69 -0.31 0.00 0.00 175.10 174.54 1wfi s VAL 38 N 1.60 0.70 -0.24 1.32 1.01 -1.24 0.27 120.40 123.82 1wfi s VAL 38 Ca -0.00 -1.85 -0.20 0.00 0.00 0.00 0.00 61.98 59.93 1wfi s VAL 38 Cb -0.16 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1wfi s VAL 38 CO -0.08 -0.87 0.61 -0.62 0.00 0.00 0.00 175.10 174.14 1wfi s ASP 39 N 1.02 6.58 -0.60 3.32 -1.08 0.53 -4.95 116.67 121.49 1wfi s ASP 39 Ca 0.15 0.71 -0.02 0.00 -0.52 0.00 0.00 52.55 52.87 1wfi s ASP 39 Cb -0.22 -2.33 0.16 0.00 -1.46 0.00 0.00 42.92 39.07 1wfi s ASP 39 CO -0.08 -0.33 0.41 -0.63 0.52 0.00 0.00 175.17 175.06 1wfi s ILE 40 N 2.32 3.58 0.26 4.11 1.01 -1.26 -0.70 121.20 130.53 1wfi s ILE 40 Ca 0.26 -2.94 0.06 0.00 0.00 0.00 0.00 60.65 58.03 1wfi s ILE 40 Cb -0.16 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 1wfi s ILE 40 CO 0.09 -0.86 0.36 -1.10 0.00 0.00 0.00 174.94 173.43 1wfi s GLN 41 N -0.01 3.28 0.09 2.79 1.11 0.19 -4.80 119.66 122.31 1wfi s GLN 41 Ca 0.16 -0.87 -0.25 0.00 0.01 0.00 0.00 55.36 54.42 1wfi s GLN 41 Cb -0.21 -2.82 -0.08 0.00 -1.01 0.00 0.00 33.01 28.89 1wfi s GLN 41 CO -0.03 0.34 1.41 -0.09 0.01 0.00 0.00 175.29 176.92 1wfi h ARG 42 N 1.16 -0.31 -1.32 2.91 9.65 -1.98 -3.01 114.38 121.48 1wfi h ARG 42 Ca -0.50 0.02 -0.57 0.00 -1.10 0.00 0.00 59.98 57.83 1wfi h ARG 42 Cb 1.24 0.07 -0.42 0.00 -1.39 0.00 0.00 29.97 29.47 1wfi h ARG 42 CO 0.59 -0.21 -0.76 -2.13 2.80 0.00 0.00 179.97 180.26 1wfi n ARG 43 N -4.68 3.42 -3.64 0.20 0.63 -1.26 -1.44 116.66 109.88 1wfi n ARG 43 Ca -0.03 -4.39 -0.05 0.00 -0.92 0.00 0.00 57.85 52.46 1wfi n ARG 43 Cb 0.26 -2.23 -0.07 0.00 0.45 0.00 0.00 32.46 30.87 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 -3.55 -0.75 -0.18 -0.14 2.46 -1.14 -3.56 115.29 108.43 1wfi s HIS 44 Ca 0.48 1.52 -0.01 0.00 0.47 0.00 0.00 55.06 57.52 1wfi s HIS 44 Cb 0.40 0.45 0.05 0.00 -0.13 0.00 0.00 32.58 33.35 1wfi s HIS 44 CO -0.13 -0.37 -0.04 -1.17 -2.47 0.00 0.00 174.74 170.56 1wfi s LEU 45 N 1.38 1.67 -0.40 8.88 2.96 -1.22 0.57 118.68 132.52 1wfi s LEU 45 Ca -0.09 -0.76 0.03 0.00 -0.22 0.00 0.00 54.13 53.09 1wfi s LEU 45 Cb -0.04 -0.89 0.11 0.00 0.50 0.00 0.00 46.19 45.87 1wfi s LEU 45 CO -0.16 -0.21 0.13 -0.60 -1.32 0.00 0.00 176.35 174.19 1wfi s ARG 46 N 1.64 1.70 -0.26 1.98 3.52 0.12 -3.04 118.95 124.63 1wfi s ARG 46 Ca -0.01 -2.08 -0.04 0.00 -0.13 0.00 0.00 55.73 53.48 1wfi s ARG 46 Cb -0.16 -3.30 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1wfi s ARG 46 CO -0.07 -1.01 -0.01 0.08 -0.81 0.00 0.00 175.30 173.48 1wfi s VAL 47 N 0.60 3.31 0.30 7.11 1.01 -0.27 0.20 120.40 132.66 1wfi s VAL 47 Ca 0.12 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 1wfi s VAL 47 Cb -0.21 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1wfi s VAL 47 CO -0.05 0.20 0.50 0.61 0.00 0.00 0.00 175.10 176.36 1wfi n GLY 48 N 4.75 1.80 3.48 4.51 0.00 0.78 0.33 105.19 120.84 1wfi n GLY 48 Ca -0.16 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 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 3.22 -0.32 0.99 1.43 -1.26 0.18 118.68 122.93 1wfi s LEU 49 Ca 0.19 -0.15 -0.44 0.00 -1.03 0.00 0.00 54.13 52.70 1wfi s LEU 49 Cb -0.02 -1.78 -0.19 0.00 0.03 0.00 0.00 46.19 44.23 1wfi s LEU 49 CO 0.14 0.15 1.48 0.29 0.23 0.00 0.00 176.35 178.64 1wfi n LYS 50 N 3.65 0.23 0.00 1.70 5.02 -1.02 0.15 118.16 127.90 1wfi n LYS 50 Ca -0.17 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1wfi n LYS 50 Cb 0.52 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1wfi n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wfi n GLY 51 N 3.37 1.76 3.90 0.72 0.00 -1.26 -4.96 105.19 108.71 1wfi n GLY 51 Ca 0.27 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.69 0.31 1.61 1.11 0.40 -5.04 119.66 120.73 1wfi s GLN 52 Ca 0.00 0.26 -0.28 0.00 0.01 0.00 0.00 55.36 55.35 1wfi s GLN 52 Cb 0.00 -2.07 -0.09 0.00 -1.01 0.00 0.00 33.01 29.84 1wfi s GLN 52 CO 0.00 -1.07 1.07 -1.25 0.01 0.00 0.00 175.29 174.06 1wfi s PRO 53 N -5.31 4.54 0.37 2.91 0.04 -1.26 -4.00 135.00 132.30 1wfi s PRO 53 Ca 0.58 1.71 -0.25 0.00 0.04 0.00 0.00 61.00 63.08 1wfi s PRO 53 Cb -0.11 -3.04 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 1wfi s PRO 53 CO 0.49 0.15 1.06 -1.25 0.04 0.00 0.00 177.00 177.50 1wfi s PRO 54 N -1.67 4.27 -0.00 0.56 0.04 -1.26 -4.12 135.00 132.81 1wfi s PRO 54 Ca 0.47 1.58 0.02 0.00 0.04 0.00 0.00 61.00 63.11 1wfi s PRO 54 Cb -0.29 -2.69 -0.25 0.00 0.04 0.00 0.00 34.50 31.31 1wfi s PRO 54 CO 0.37 -0.06 0.83 0.28 0.04 0.00 0.00 177.00 178.46 1wfi h VAL 55 N 2.39 1.12 -3.34 -0.36 2.07 -0.50 -3.45 116.25 114.18 1wfi h VAL 55 Ca -0.48 -2.83 -0.65 0.00 0.82 0.00 0.00 66.70 63.56 1wfi h VAL 55 Cb 1.21 2.66 -0.27 0.00 -1.52 0.00 0.00 31.29 33.38 1wfi h VAL 55 CO 0.63 0.76 -0.73 -0.69 0.02 0.00 0.00 177.57 177.56 1wfi s VAL 56 N -2.62 3.29 -0.42 2.57 1.01 -0.54 -4.74 120.40 118.94 1wfi s VAL 56 Ca -0.07 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1wfi s VAL 56 Cb 0.08 -2.44 0.19 0.00 0.00 0.00 0.00 36.38 34.21 1wfi s VAL 56 CO 0.83 0.48 0.82 -0.62 0.00 0.00 0.00 175.10 176.61 1wfi s ASP 57 N 0.83 -1.07 -0.07 3.32 2.15 -1.17 -1.11 116.67 119.55 1wfi s ASP 57 Ca -0.03 -0.89 -0.31 0.00 0.43 0.00 0.00 52.55 51.76 1wfi s ASP 57 Cb -0.15 1.39 0.11 0.00 -0.30 0.00 0.00 42.92 43.97 1wfi s ASP 57 CO 0.01 -0.08 0.99 -0.83 -0.17 0.00 0.00 175.17 175.09 1wfi s GLY 58 N 1.42 -0.40 -0.03 2.66 0.00 -1.24 -3.48 107.32 106.25 1wfi s GLY 58 Ca 0.21 1.25 -0.30 0.00 0.00 0.00 0.00 44.72 45.88 1wfi s GLY 58 CO -0.08 0.43 1.61 1.85 0.00 0.00 0.00 173.10 176.90 1wfi s GLU 59 N -2.81 4.20 1.02 2.90 2.12 -1.26 -3.39 118.70 121.49 1wfi s GLU 59 Ca 0.06 2.16 -0.13 0.00 0.36 0.00 0.00 54.97 57.42 1wfi s GLU 59 Cb -0.01 -3.86 0.14 0.00 0.26 0.00 0.00 34.13 30.66 1wfi s GLU 59 CO -0.07 -0.79 0.69 1.28 -0.54 0.00 0.00 175.26 175.83 1wfi n LEU 60 N 6.64 0.18 -0.00 2.70 4.77 -1.23 0.04 117.00 130.10 1wfi n LEU 60 Ca 0.16 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 56.19 1wfi n LEU 60 Cb 0.43 -1.25 0.02 0.00 -2.33 0.00 0.00 43.42 40.28 1wfi n LEU 60 CO 0.62 -3.02 0.42 0.22 -1.33 0.00 0.00 177.39 174.30 1wfi h TYR 61 N -2.02 0.77 -2.58 -1.77 3.20 -1.40 -3.41 116.97 109.76 1wfi h TYR 61 Ca -0.49 -0.29 -0.10 0.00 3.14 0.00 0.00 58.73 60.98 1wfi h TYR 61 Cb 1.30 -0.14 -0.22 0.00 1.54 0.00 0.00 36.73 39.22 1wfi h TYR 61 CO 0.35 1.05 -0.13 1.21 -1.64 0.00 0.00 178.16 179.01 1wfi s ASN 62 N -6.96 -0.47 0.47 -2.11 2.47 -1.26 -5.04 114.94 102.04 1wfi s ASN 62 Ca -0.08 0.79 -0.20 0.00 0.42 0.00 0.00 52.86 53.80 1wfi s ASN 62 Cb 0.11 0.82 -0.13 0.00 -1.45 0.00 0.00 41.25 40.59 1wfi s ASN 62 CO 0.85 -0.27 0.20 -0.62 -3.72 0.00 0.00 177.10 173.55 1wfi n GLU 63 N 2.33 0.21 -4.03 0.43 1.02 -1.26 -4.89 120.64 114.46 1wfi n GLU 63 Ca -0.15 0.08 -0.16 0.00 -0.02 0.00 0.00 57.16 56.91 1wfi n GLU 63 Cb 0.57 -1.24 -0.15 0.00 -0.02 0.00 0.00 31.44 30.59 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 -1.74 0.27 -0.58 2.62 -7.23 -0.52 -3.29 120.40 109.93 1wfi s VAL 64 Ca 0.61 -0.06 -0.26 0.00 -1.81 0.00 0.00 61.98 60.46 1wfi s VAL 64 Cb -0.55 -0.29 -0.09 0.00 0.56 0.00 0.00 36.38 36.01 1wfi s VAL 64 CO 0.61 0.12 2.42 1.17 -0.31 0.00 0.00 175.10 179.11 1wfi n LYS 65 N 3.53 0.90 0.12 4.82 4.81 0.49 -4.40 118.16 128.43 1wfi n LYS 65 Ca -0.20 -0.26 -0.02 0.00 -0.87 0.00 0.00 58.31 56.97 1wfi n LYS 65 Cb 0.55 -3.53 0.19 0.00 0.02 0.00 0.00 35.03 32.26 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 7.71 1.38 0.00 3.15 -1.51 -1.87 -1.56 116.25 123.55 1wfi h VAL 66 Ca -0.17 -1.88 -0.00 0.00 -1.23 0.00 0.00 66.70 63.42 1wfi h VAL 66 Cb 1.19 1.98 -0.00 0.00 -2.13 0.00 0.00 31.29 32.33 1wfi h VAL 66 CO 1.11 0.55 -0.00 -0.33 -1.23 0.00 0.00 177.57 177.67 1wfi h GLU 67 N 0.08 0.00 -0.11 5.19 5.08 -1.92 0.24 114.58 123.14 1wfi h GLU 67 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wfi h GLU 67 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1wfi h GLU 67 CO 0.08 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.48 1wfi n GLU 68 N -3.11 1.50 -2.67 2.33 1.02 -0.92 -5.02 120.64 113.77 1wfi n GLU 68 Ca -0.02 -1.38 -0.30 0.00 -0.02 0.00 0.00 57.16 55.44 1wfi n GLU 68 Cb 0.11 -1.14 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 1wfi n GLU 68 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wfi s SER 69 N -0.78 6.49 -0.15 1.62 0.01 0.07 -4.73 113.70 116.23 1wfi s SER 69 Ca 0.10 1.21 -0.29 0.00 1.31 0.00 0.00 55.95 58.29 1wfi s SER 69 Cb 0.06 -2.36 0.10 0.00 0.21 0.00 0.00 66.02 64.03 1wfi s SER 69 CO 0.08 -0.49 0.83 -0.94 0.41 0.00 0.00 173.24 173.14 1wfi s SER 70 N -3.32 -0.55 0.14 2.44 1.04 0.24 -4.98 113.70 108.71 1wfi s SER 70 Ca 0.53 0.75 0.05 0.00 0.48 0.00 0.00 55.95 57.76 1wfi s SER 70 Cb -0.10 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1wfi s SER 70 CO 0.34 -0.41 -0.11 -1.66 0.98 0.00 0.00 173.24 172.39 1wfi s TRP 71 N -0.73 1.28 0.31 5.02 1.48 -1.26 0.19 118.94 125.23 1wfi s TRP 71 Ca -0.04 -0.71 -0.11 0.00 -1.06 0.00 0.00 56.10 54.17 1wfi s TRP 71 Cb -0.02 -0.65 0.01 0.00 -1.16 0.00 0.00 33.47 31.65 1wfi s TRP 71 CO 0.04 0.10 0.56 -0.48 -4.06 0.00 0.00 176.95 173.11 1wfi s LEU 72 N -3.00 0.40 -0.23 -4.66 -0.00 0.36 -4.96 118.68 106.59 1wfi s LEU 72 Ca 0.15 -1.11 -0.03 0.00 -0.00 0.00 0.00 54.13 53.14 1wfi s LEU 72 Cb 0.01 1.99 0.01 0.00 -0.00 0.00 0.00 46.19 48.19 1wfi s LEU 72 CO 0.01 -1.32 -0.06 -0.63 -0.00 0.00 0.00 176.35 174.36 1wfi s ILE 73 N -3.38 3.08 0.07 1.48 1.01 -1.26 0.20 121.20 122.40 1wfi s ILE 73 Ca 0.22 -0.78 -0.23 0.00 0.00 0.00 0.00 60.65 59.86 1wfi s ILE 73 Cb -0.02 -2.48 -0.06 0.00 0.01 0.00 0.00 42.46 39.91 1wfi s ILE 73 CO 0.13 0.31 0.71 -1.61 0.00 0.00 0.00 174.94 174.48 1wfi s GLU 74 N 1.40 4.44 -0.57 2.79 2.02 0.52 -3.71 118.70 125.58 1wfi s GLU 74 Ca 0.03 0.98 0.00 0.00 0.02 0.00 0.00 54.97 56.00 1wfi s GLU 74 Cb -0.15 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.76 1wfi s GLU 74 CO -0.04 0.43 0.00 -0.25 0.02 0.00 0.00 175.26 175.42 1wfi n ASP 75 N 2.31 -2.09 -4.41 -0.19 8.00 -1.26 -0.63 116.55 118.28 1wfi n ASP 75 Ca -0.05 0.27 -0.37 0.00 0.71 0.00 0.00 54.79 55.35 1wfi n ASP 75 Cb 0.50 -1.98 -0.08 0.00 -0.02 0.00 0.00 41.12 39.53 1wfi n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wfi n GLY 76 N -0.43 -0.28 0.88 0.44 0.00 -1.24 -4.67 105.19 99.89 1wfi n GLY 76 Ca -0.07 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.31 0.00 -4.59 1.61 2.85 0.20 -2.93 118.16 110.98 1wfi n LYS 77 Ca -0.09 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.87 1wfi n LYS 77 Cb 0.56 -0.34 -0.12 0.00 -0.65 0.00 0.00 35.03 34.48 1wfi n LYS 77 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1wfi s VAL 78 N -1.57 2.87 -0.22 0.58 -7.23 -0.99 -2.54 120.40 111.30 1wfi s VAL 78 Ca 0.00 -1.20 -0.15 0.00 -1.81 0.00 0.00 61.98 58.82 1wfi s VAL 78 Cb 0.00 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1wfi s VAL 78 CO 0.00 0.31 0.38 -0.69 -0.31 0.00 0.00 175.10 174.78 1wfi s VAL 79 N -0.96 5.20 -0.06 1.32 1.01 0.98 -0.36 120.40 127.53 1wfi s VAL 79 Ca 0.15 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1wfi s VAL 79 Cb -0.11 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1wfi s VAL 79 CO 0.06 0.24 -0.03 0.42 0.00 0.00 0.00 175.10 175.79 1wfi s THR 80 N 1.47 4.00 0.03 3.92 -4.23 0.55 0.17 115.64 121.54 1wfi s THR 80 Ca 0.17 -0.42 0.07 0.00 -1.18 0.00 0.00 61.69 60.34 1wfi s THR 80 Cb -0.15 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 1wfi s THR 80 CO 0.08 0.56 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.82 1wfi s VAL 81 N -0.89 1.74 -0.26 2.29 1.01 0.27 0.13 120.40 124.70 1wfi s VAL 81 Ca 0.14 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1wfi s VAL 81 Cb -0.11 -1.49 0.07 0.00 0.00 0.00 0.00 36.38 34.85 1wfi s VAL 81 CO 0.03 0.29 -0.02 -2.28 0.00 0.00 0.00 175.10 173.12 1wfi s HIS 82 N -0.74 2.40 0.33 5.22 2.46 0.51 -1.15 115.29 124.32 1wfi s HIS 82 Ca 0.08 -1.87 0.06 0.00 0.47 0.00 0.00 55.06 53.80 1wfi s HIS 82 Cb -0.09 -1.74 -0.01 0.00 -0.13 0.00 0.00 32.58 30.61 1wfi s HIS 82 CO 0.01 -0.80 0.47 -0.51 -2.47 0.00 0.00 174.74 171.44 1wfi s LEU 83 N 1.39 4.01 -0.22 8.88 2.01 -0.17 -0.59 118.68 133.99 1wfi s LEU 83 Ca -0.01 -0.11 -0.03 0.00 0.01 0.00 0.00 54.13 53.99 1wfi s LEU 83 Cb -0.19 -2.80 0.07 0.00 0.01 0.00 0.00 46.19 43.28 1wfi s LEU 83 CO -0.09 -0.39 0.07 -0.70 1.01 0.00 0.00 176.35 176.25 1wfi s GLU 84 N -4.17 0.47 0.71 1.70 2.56 -1.26 -1.30 118.70 117.41 1wfi s GLU 84 Ca 0.43 -0.44 -0.16 0.00 0.00 0.00 0.00 54.97 54.80 1wfi s GLU 84 Cb -0.09 -1.91 -0.03 0.00 2.00 0.00 0.00 34.13 34.09 1wfi s GLU 84 CO 0.31 -0.74 0.70 1.63 -0.56 0.00 0.00 175.26 176.60 1wfi n LYS 85 N 5.10 0.40 0.10 4.30 5.02 -0.96 0.18 118.16 132.31 1wfi n LYS 85 Ca -0.07 0.18 -0.20 0.00 -2.02 0.00 0.00 58.31 56.20 1wfi n LYS 85 Cb 0.46 -1.97 -0.12 0.00 -0.02 0.00 0.00 35.03 33.38 1wfi n LYS 85 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1wfi h ILE 86 N -0.26 1.36 0.09 -0.18 1.08 -1.89 -3.35 117.51 114.35 1wfi h ILE 86 Ca -0.46 -2.66 -0.37 0.00 -0.39 0.00 0.00 64.86 60.98 1wfi h ILE 86 Cb 1.35 2.79 -0.03 0.00 -3.07 0.00 0.00 36.82 37.85 1wfi h ILE 86 CO 0.45 0.80 -2.10 0.59 -0.69 0.00 0.00 178.15 177.19 1wfi n ASN 87 N -3.70 2.01 -2.95 1.72 3.02 -1.26 -4.99 115.26 109.11 1wfi n ASN 87 Ca -0.12 0.13 -0.18 0.00 -0.03 0.00 0.00 54.58 54.39 1wfi n ASN 87 Cb 1.00 -0.70 0.06 0.00 -0.61 0.00 0.00 39.78 39.53 1wfi n ASN 87 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wfi n LYS 88 N -3.40 -6.11 -2.73 3.52 5.02 -1.26 -4.95 118.16 108.25 1wfi n LYS 88 Ca -0.35 0.66 -0.07 0.00 -2.02 0.00 0.00 58.31 56.53 1wfi n LYS 88 Cb 1.04 -5.18 0.06 0.00 -0.02 0.00 0.00 35.03 30.92 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 -3.95 0.62 0.00 1.97 0.00 -0.67 -4.25 117.12 110.83 1wfi n MET 89 Ca -0.04 -1.48 0.00 0.00 0.00 0.00 0.00 57.70 56.18 1wfi n MET 89 Cb 0.57 -1.17 0.00 0.00 0.00 0.00 0.00 33.22 32.62 1wfi n MET 89 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1wfi n GLU 90 N 1.64 0.00 -3.04 3.17 4.07 -1.26 -5.09 120.64 120.14 1wfi n GLU 90 Ca 0.07 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.76 1wfi n GLU 90 Cb 0.65 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.97 1wfi n GLU 90 CO 0.00 0.00 0.00 -0.46 -0.06 0.00 0.00 177.13 176.61 1wfi s TRP 91 N -0.64 3.24 0.83 4.31 -0.11 -1.26 -4.63 118.94 120.68 1wfi s TRP 91 Ca 0.00 0.78 -0.11 0.00 1.22 0.00 0.00 56.10 57.99 1wfi s TRP 91 Cb 0.00 -3.03 0.09 0.00 -1.50 0.00 0.00 33.47 29.03 1wfi s TRP 91 CO 0.00 -0.45 1.10 -1.58 -4.62 0.00 0.00 176.95 171.40 1wfi s TRP 92 N 2.71 2.30 -0.22 5.86 0.52 -1.26 -4.96 118.94 123.89 1wfi s TRP 92 Ca 0.29 1.57 0.06 0.00 0.02 0.00 0.00 56.10 58.04 1wfi s TRP 92 Cb -0.15 -3.13 -0.08 0.00 -1.15 0.00 0.00 33.47 28.96 1wfi s TRP 92 CO 0.11 -2.15 0.24 0.09 0.02 0.00 0.00 176.95 175.25 1wfi n ASN 93 N -3.76 1.14 -3.30 2.95 3.02 -1.26 -4.99 115.26 109.06 1wfi n ASN 93 Ca 0.09 -0.48 0.03 0.00 -0.03 0.00 0.00 54.58 54.19 1wfi n ASN 93 Cb 0.53 1.08 -0.04 0.00 -0.61 0.00 0.00 39.78 40.74 1wfi n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wfi s ARG 94 N -1.82 0.12 0.21 3.52 1.04 -1.26 -5.04 118.95 115.72 1wfi s ARG 94 Ca 0.01 0.28 -0.20 0.00 -1.04 0.00 0.00 55.73 54.79 1wfi s ARG 94 Cb 0.05 0.15 0.18 0.00 -2.04 0.00 0.00 34.95 33.29 1wfi s ARG 94 CO 0.26 -0.04 1.52 -0.11 -0.04 0.00 0.00 175.30 176.90 1wfi n LEU 95 N 4.51 -0.71 -4.36 -1.89 7.94 -1.26 -3.98 117.00 117.26 1wfi n LEU 95 Ca -0.08 1.72 -0.29 0.00 -1.11 0.00 0.00 56.01 56.25 1wfi n LEU 95 Cb 0.55 -0.36 -0.14 0.00 0.53 0.00 0.00 43.42 44.00 1wfi n LEU 95 CO -0.04 -1.52 -0.56 0.68 -1.11 0.00 0.00 177.39 174.84 1wfi s VAL 96 N -5.85 2.15 0.11 1.96 -7.23 -1.26 -1.50 120.40 108.77 1wfi s VAL 96 Ca -0.13 -1.59 0.09 0.00 -1.81 0.00 0.00 61.98 58.55 1wfi s VAL 96 Cb 0.18 -1.88 -0.12 0.00 0.56 0.00 0.00 36.38 35.13 1wfi s VAL 96 CO 0.68 0.18 1.39 0.71 -0.31 0.00 0.00 175.10 177.75 1wfi h THR 97 N 4.04 1.49 -3.53 5.32 1.35 -0.59 -3.41 112.91 117.58 1wfi h THR 97 Ca -0.49 -2.92 -0.61 0.00 -0.55 0.00 0.00 66.41 61.85 1wfi h THR 97 Cb 1.16 2.61 -0.39 0.00 -1.73 0.00 0.00 68.15 69.80 1wfi h THR 97 CO 0.41 0.81 -0.76 -0.94 -0.25 0.00 0.00 175.52 174.78 1wfi s SER 98 N -6.68 4.08 0.82 5.36 1.04 -1.26 -5.01 113.70 112.04 1wfi s SER 98 Ca 0.01 -1.49 -0.17 0.00 0.48 0.00 0.00 55.95 54.78 1wfi s SER 98 Cb 0.10 -1.20 -0.15 0.00 0.10 0.00 0.00 66.02 64.88 1wfi s SER 98 CO 0.79 -0.31 -0.54 -0.90 0.98 0.00 0.00 173.24 173.27 1wfi n ASP 99 N 4.62 -5.11 0.00 7.02 5.68 -1.26 -4.25 116.55 123.26 1wfi n ASP 99 Ca -0.06 0.36 0.00 0.00 -0.50 0.00 0.00 54.79 54.59 1wfi n ASP 99 Cb 0.43 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.61 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 2.07 0.00 0.00 0.11 -0.04 -1.23 -4.79 135.00 131.13 1wfi n PRO 100 Ca 0.02 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1wfi n PRO 100 Cb 0.53 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 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 -1.47 0.00 -2.23 0.54 1.02 -1.26 -4.95 120.64 112.29 1wfi n GLU 101 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 1wfi n GLU 101 Cb 0.00 -0.03 0.06 0.00 -0.02 0.00 0.00 31.44 31.46 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 -0.77 2.54 0.06 -3.67 1.01 -1.26 -5.05 121.20 114.07 1wfi s ILE 102 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 1wfi s ILE 102 Cb 0.00 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 1wfi s ILE 102 CO 0.00 -0.10 -0.03 -3.20 0.00 0.00 0.00 174.94 171.61 1wfi n ASN 103 N -2.86 1.07 -3.98 3.58 2.85 -1.26 -4.88 115.26 109.78 1wfi n ASN 103 Ca 0.07 0.14 -0.30 0.00 -0.11 0.00 0.00 54.58 54.38 1wfi n ASN 103 Cb 0.60 -0.34 -0.16 0.00 1.24 0.00 0.00 39.78 41.12 1wfi n ASN 103 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1wfi s THR 104 N -1.97 1.61 -0.53 -0.44 -4.23 -1.26 -4.19 115.64 104.62 1wfi s THR 104 Ca -0.03 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.51 1wfi s THR 104 Cb 0.00 -1.71 0.15 0.00 1.34 0.00 0.00 72.50 72.29 1wfi s THR 104 CO 0.04 0.14 0.35 -0.75 -0.54 0.00 0.00 174.62 173.85 1wfi s LYS 105 N 1.41 1.66 0.00 3.99 2.47 -1.26 -4.48 119.74 123.53 1wfi s LYS 105 Ca -0.02 -2.53 0.00 0.00 -1.56 0.00 0.00 55.97 51.86 1wfi s LYS 105 Cb -0.16 -2.60 0.00 0.00 -1.46 0.00 0.00 37.83 33.61 1wfi s LYS 105 CO -0.08 -1.24 0.00 1.17 0.16 0.00 0.00 175.35 175.36 1wfi n LYS 106 N 2.84 0.00 -0.09 4.03 3.00 -1.26 -4.93 118.16 121.75 1wfi n LYS 106 Ca 0.16 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.33 1wfi n LYS 106 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.35 1wfi n LYS 106 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1wfi n ILE 107 N -0.06 1.37 -2.79 3.15 5.41 -1.26 -5.01 119.36 120.17 1wfi n ILE 107 Ca 0.00 -0.02 -0.28 0.00 1.00 0.00 0.00 62.75 63.44 1wfi n ILE 107 Cb 0.00 -2.05 -0.02 0.00 -0.71 0.00 0.00 39.64 36.87 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 -6.40 6.38 -0.07 4.38 4.22 -1.26 -5.03 114.94 117.16 1wfi s ASN 108 Ca -0.27 0.98 -0.21 0.00 -2.14 0.00 0.00 52.86 51.22 1wfi s ASN 108 Cb 0.07 -2.26 -0.17 0.00 1.28 0.00 0.00 41.25 40.17 1wfi s ASN 108 CO 0.37 -0.47 0.79 1.55 -2.04 0.00 0.00 177.10 177.30 1wfi h PRO 109 N 0.75 -0.12 -3.75 3.55 0.13 -1.96 -3.50 132.00 127.09 1wfi h PRO 109 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1wfi h PRO 109 Cb 1.20 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wfi h PRO 109 CO 0.63 0.40 -0.74 -1.91 -0.23 0.00 0.00 178.00 176.14 1wfi n GLU 110 N -4.83 -4.24 -4.64 0.86 2.13 -1.26 -5.01 120.64 103.65 1wfi n GLU 110 Ca -0.07 3.14 -0.34 0.00 0.66 0.00 0.00 57.16 60.55 1wfi n GLU 110 Cb 0.28 -3.45 -0.11 0.00 0.27 0.00 0.00 31.44 28.43 1wfi n GLU 110 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1wfi s ASN 111 N -0.42 4.56 0.50 4.31 3.84 -1.26 -5.12 114.94 121.35 1wfi s ASN 111 Ca 0.00 -0.06 0.05 0.00 0.21 0.00 0.00 52.86 53.06 1wfi s ASN 111 Cb 0.00 -1.11 0.03 0.00 -0.55 0.00 0.00 41.25 39.62 1wfi s ASN 111 CO 0.00 0.35 0.70 -0.94 -2.79 0.00 0.00 177.10 174.42 1wfi s SER 112 N -0.87 5.39 0.99 -4.21 1.04 -1.26 -5.11 113.70 109.66 1wfi s SER 112 Ca 0.13 -0.28 -0.16 0.00 0.48 0.00 0.00 55.95 56.12 1wfi s SER 112 Cb -0.11 -0.64 0.20 0.00 0.10 0.00 0.00 66.02 65.57 1wfi s SER 112 CO 0.02 -1.02 1.25 -0.54 0.98 0.00 0.00 173.24 173.93 1wfi s LYS 113 N -4.59 0.43 -0.29 4.02 1.02 -1.26 -5.05 119.74 114.02 1wfi s LYS 113 Ca 0.57 -0.24 0.03 0.00 0.02 0.00 0.00 55.97 56.35 1wfi s LYS 113 Cb -0.10 -1.81 0.08 0.00 -0.52 0.00 0.00 37.83 35.49 1wfi s LYS 113 CO 0.36 -2.58 -0.03 -0.51 -0.92 0.00 0.00 175.35 171.67 1wfi s LEU 114 N -6.08 3.86 -0.44 3.17 1.02 -1.26 -5.01 118.68 113.93 1wfi s LEU 114 Ca 0.71 -1.70 0.05 0.00 0.02 0.00 0.00 54.13 53.21 1wfi s LEU 114 Cb -0.06 -1.52 0.17 0.00 0.02 0.00 0.00 46.19 44.80 1wfi s LEU 114 CO 0.53 -0.28 0.51 -0.55 0.02 0.00 0.00 176.35 176.58 1wfi s SER 115 N 1.07 0.12 -0.59 2.29 0.15 -1.26 -5.07 113.70 110.40 1wfi s SER 115 Ca 0.00 -2.12 0.01 0.00 0.70 0.00 0.00 55.95 54.55 1wfi s SER 115 Cb -0.19 0.80 0.15 0.00 -1.71 0.00 0.00 66.02 65.06 1wfi s SER 115 CO -0.07 -0.14 0.37 -1.81 1.20 0.00 0.00 173.24 172.78 1wfi s ASP 116 N 0.76 4.75 -0.21 5.45 1.11 -1.26 -5.06 116.67 122.22 1wfi s ASP 116 Ca 0.27 -3.07 -0.04 0.00 0.18 0.00 0.00 52.55 49.89 1wfi s ASP 116 Cb -0.02 -1.73 -0.01 0.00 1.07 0.00 0.00 42.92 42.23 1wfi s ASP 116 CO -0.10 -0.26 -0.03 -0.22 1.18 0.00 0.00 175.17 175.74 1wfi s LEU 117 N -0.37 3.00 -0.02 1.23 2.96 -1.26 -5.09 118.68 119.12 1wfi s LEU 117 Ca 0.18 -0.33 -0.16 0.00 -0.22 0.00 0.00 54.13 53.60 1wfi s LEU 117 Cb -0.21 -1.76 0.03 0.00 0.50 0.00 0.00 46.19 44.74 1wfi s LEU 117 CO -0.03 0.01 0.34 -0.62 -1.32 0.00 0.00 176.35 174.73 1wfi s ASP 118 N 1.32 -0.24 -0.30 3.68 2.15 -1.26 -5.15 116.67 116.87 1wfi s ASP 118 Ca 0.04 0.17 -0.13 0.00 0.43 0.00 0.00 52.55 53.06 1wfi s ASP 118 Cb -0.14 0.36 0.17 0.00 -0.30 0.00 0.00 42.92 43.00 1wfi s ASP 118 CO -0.01 -0.44 0.94 -0.55 -0.17 0.00 0.00 175.17 174.94 1wfi s SER 119 N -1.22 -0.67 0.00 -0.34 0.15 -1.26 -5.17 113.70 105.19 1wfi s SER 119 Ca -0.13 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1wfi s SER 119 Cb -0.05 1.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.98 1wfi s SER 119 CO 0.04 -0.13 0.00 -1.84 1.20 0.00 0.00 173.24 172.52 1wfi n GLU 120 N 5.12 1.33 -3.66 5.44 0.28 -1.26 -5.19 120.64 122.71 1wfi n GLU 120 Ca -0.08 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.87 1wfi n GLU 120 Cb 0.52 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.38 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 1.59 0.00 0.33 3.84 -1.32 -1.26 -5.19 115.64 113.64 1wfi s THR 121 Ca 0.00 -0.38 0.04 0.00 -1.21 0.00 0.00 61.69 60.14 1wfi s THR 121 Cb 0.00 -1.66 -0.06 0.00 -1.51 0.00 0.00 72.50 69.27 1wfi s THR 121 CO 0.00 0.00 0.06 -0.60 -2.21 0.00 0.00 174.62 171.87 1wfi s ARG 122 N -3.07 1.69 0.27 7.08 3.00 -1.26 -5.17 118.95 121.49 1wfi s ARG 122 Ca 0.10 -1.94 -0.16 0.00 -1.00 0.00 0.00 55.73 52.73 1wfi s ARG 122 Cb -0.00 -0.92 0.01 0.00 0.00 0.00 0.00 34.95 34.04 1wfi s ARG 122 CO -0.02 -0.19 0.60 -1.12 0.00 0.00 0.00 175.30 174.57 1wfi s SER 123 N -3.51 -0.13 -0.28 -2.12 0.01 -1.26 -5.18 113.70 101.23 1wfi s SER 123 Ca 0.36 -0.82 -0.25 0.00 1.31 0.00 0.00 55.95 56.56 1wfi s SER 123 Cb 0.09 0.67 0.13 0.00 0.21 0.00 0.00 66.02 67.11 1wfi s SER 123 CO 0.16 -1.27 1.06 -0.32 0.41 0.00 0.00 173.24 173.28 1wfi s MET 124 N -3.86 0.47 0.00 12.44 1.75 -1.26 -5.18 119.30 123.67 1wfi s MET 124 Ca 0.17 0.57 0.00 0.00 -1.25 0.00 0.00 55.69 55.18 1wfi s MET 124 Cb -0.03 0.23 0.00 0.00 2.84 0.00 0.00 34.83 37.86 1wfi s MET 124 CO 0.09 -0.06 0.00 1.55 -0.65 0.00 0.00 175.02 175.95 1wfi n VAL 125 N 2.22 0.00 0.00 10.11 3.14 -1.26 -5.16 118.33 127.38 1wfi n VAL 125 Ca -0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1wfi n VAL 125 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 1wfi n VAL 125 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1wfi n SER 126 N 0.00 0.00 -3.72 6.55 7.64 -1.26 -5.17 113.62 117.66 1wfi n SER 126 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1wfi n SER 126 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1wfi n SER 126 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfi s GLY 127 N 0.00 -0.21 1.05 0.23 0.00 -1.26 -5.16 107.32 101.96 1wfi s GLY 127 Ca 0.00 1.19 -0.17 0.00 0.00 0.00 0.00 44.72 45.75 1wfi s GLY 127 CO 0.00 1.41 1.20 2.56 0.00 0.00 0.00 173.10 178.27 1wfi s PRO 128 N 1.29 -0.02 0.25 2.90 0.04 -1.26 -5.10 135.00 133.11 1wfi s PRO 128 Ca -0.09 -0.15 -0.05 0.00 0.04 0.00 0.00 61.00 60.75 1wfi s PRO 128 Cb -0.10 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 1wfi s PRO 128 CO -0.10 -2.90 0.34 -1.54 0.04 0.00 0.00 177.00 172.85 1wfi s SER 129 N -4.34 0.30 0.21 6.66 1.04 -1.26 -5.18 113.70 111.13 1wfi s SER 129 Ca 0.71 -1.25 -0.01 0.00 0.48 0.00 0.00 55.95 55.87 1wfi s SER 129 Cb -0.08 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1wfi s SER 129 CO 0.54 -1.06 0.17 -0.44 0.98 0.00 0.00 173.24 173.43 1wfi s SER 130 N -3.13 0.23 0.00 7.02 0.01 -1.26 -5.38 113.70 111.19 1wfi s SER 130 Ca 0.31 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1wfi s SER 130 Cb 0.02 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1wfi s SER 130 CO 0.13 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.51