#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfi s SER 2 N 0.00 0.01 0.44 1.61 0.15 -1.26 -5.12 113.70 109.54 1wfi s SER 2 Ca 0.00 -1.03 0.08 0.00 0.70 0.00 0.00 55.95 55.70 1wfi s SER 2 Cb 0.00 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1wfi s SER 2 CO 0.00 -0.98 0.47 -0.94 1.20 0.00 0.00 173.24 172.98 1wfi s SER 3 N -3.04 5.19 0.19 5.45 1.04 -1.26 -5.14 113.70 116.13 1wfi s SER 3 Ca 0.25 -0.70 0.10 0.00 0.48 0.00 0.00 55.95 56.07 1wfi s SER 3 Cb 0.03 -0.44 -0.04 0.00 0.10 0.00 0.00 66.02 65.66 1wfi s SER 3 CO 0.07 -0.78 -0.14 -0.83 0.98 0.00 0.00 173.24 172.54 1wfi s GLY 4 N -4.25 1.73 -0.02 7.32 0.00 -1.26 -4.44 107.32 106.40 1wfi s GLY 4 Ca 0.50 -1.52 -0.05 0.00 0.00 0.00 0.00 44.72 43.65 1wfi s GLY 4 CO 0.30 -1.55 0.22 1.44 0.00 0.00 0.00 173.10 173.51 1wfi n SER 5 N 0.09 -0.16 -4.46 1.64 7.64 -1.26 -5.01 113.62 112.10 1wfi n SER 5 Ca -0.11 -1.00 -0.37 0.00 1.01 0.00 0.00 58.87 58.40 1wfi n SER 5 Cb 0.56 0.24 -0.12 0.00 -1.01 0.00 0.00 64.21 63.88 1wfi n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfi s SER 6 N -1.48 5.30 -0.29 6.43 0.01 -1.26 -4.60 113.70 117.81 1wfi s SER 6 Ca 0.05 -0.26 -0.26 0.00 1.31 0.00 0.00 55.95 56.79 1wfi s SER 6 Cb -0.00 -1.96 0.18 0.00 0.21 0.00 0.00 66.02 64.46 1wfi s SER 6 CO -0.00 -0.07 1.38 -0.83 0.41 0.00 0.00 173.24 174.12 1wfi s GLY 7 N 1.63 0.23 0.27 3.44 0.00 -1.26 -5.03 107.32 106.59 1wfi s GLY 7 Ca 0.06 3.22 0.13 0.00 0.00 0.00 0.00 44.72 48.13 1wfi s GLY 7 CO 0.05 1.66 1.55 -0.56 0.00 0.00 0.00 173.10 175.80 1wfi h PRO 8 N 2.86 0.00 -0.05 2.90 0.13 -1.96 -3.45 132.00 132.43 1wfi h PRO 8 Ca -0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.90 1wfi h PRO 8 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1wfi h PRO 8 CO 0.19 0.62 -0.02 -1.71 -0.23 0.00 0.00 178.00 176.85 1wfi n ASN 9 N -3.55 -3.16 -3.67 1.44 2.85 -1.26 -4.81 115.26 103.09 1wfi n ASN 9 Ca -0.00 0.02 -0.08 0.00 -0.11 0.00 0.00 54.58 54.41 1wfi n ASN 9 Cb 0.67 -0.75 -0.02 0.00 1.24 0.00 0.00 39.78 40.92 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 -2.02 -0.29 0.13 1.20 -0.85 -1.26 -4.85 117.35 109.40 1wfi s TYR 10 Ca 0.00 -0.03 0.03 0.00 -0.52 0.00 0.00 57.07 56.55 1wfi s TYR 10 Cb 0.00 0.63 -0.04 0.00 0.38 0.00 0.00 41.96 42.94 1wfi s TYR 10 CO 0.00 -0.97 0.21 -0.98 -1.52 0.00 0.00 175.55 172.29 1wfi s ARG 11 N -3.66 3.25 0.05 -3.49 1.70 -1.00 -4.99 118.95 110.82 1wfi s ARG 11 Ca 0.08 -0.65 -0.24 0.00 -0.47 0.00 0.00 55.73 54.45 1wfi s ARG 11 Cb -0.03 -2.88 0.06 0.00 -0.57 0.00 0.00 34.95 31.53 1wfi s ARG 11 CO -0.01 0.53 0.57 1.67 -1.08 0.00 0.00 175.30 176.97 1wfi s TRP 12 N -1.67 -0.49 0.00 5.89 1.48 -1.26 -0.38 118.94 122.51 1wfi s TRP 12 Ca 0.33 0.57 0.00 0.00 -1.06 0.00 0.00 56.10 55.94 1wfi s TRP 12 Cb -0.11 0.40 0.00 0.00 -1.16 0.00 0.00 33.47 32.60 1wfi s TRP 12 CO 0.26 -0.68 0.00 0.25 -4.06 0.00 0.00 176.95 172.73 1wfi n THR 13 N 0.34 0.00 0.00 0.66 -2.24 0.61 -4.95 114.28 108.71 1wfi n THR 13 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1wfi n THR 13 Cb 0.61 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1wfi n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfi n GLN 14 N 0.00 -3.09 -2.69 -0.78 10.64 -1.26 -0.97 117.38 119.24 1wfi n GLN 14 Ca 0.00 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.10 1wfi n GLN 14 Cb 0.00 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 29.42 1wfi n GLN 14 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1wfi n THR 15 N -0.47 0.89 -2.05 -0.39 -2.24 -1.01 -4.93 114.28 104.07 1wfi n THR 15 Ca 0.00 -2.81 -0.07 0.00 -2.27 0.00 0.00 64.05 58.89 1wfi n THR 15 Cb 0.00 0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 1wfi n THR 15 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wfi n LEU 16 N -0.22 -0.61 0.11 3.22 7.99 -1.26 -4.38 117.00 121.85 1wfi n LEU 16 Ca 0.07 0.28 0.00 0.00 -0.01 0.00 0.00 56.01 56.34 1wfi n LEU 16 Cb 0.82 -1.54 0.00 0.00 -0.11 0.00 0.00 43.42 42.59 1wfi n LEU 16 CO 0.20 -0.17 0.00 0.00 -1.51 0.00 0.00 177.39 175.90 1wfi n ALA 17 N -1.63 1.67 -2.53 -1.18 0.00 -1.26 -2.58 120.51 112.99 1wfi n ALA 17 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1wfi n ALA 17 Cb 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.55 2.42 0.22 0.00 4.04 -1.26 -2.65 118.70 119.92 1wfi s GLU 18 Ca 0.00 -1.50 0.06 0.00 0.04 0.00 0.00 54.97 53.57 1wfi s GLU 18 Cb 0.00 -2.22 -0.04 0.00 0.02 0.00 0.00 34.13 31.90 1wfi s GLU 18 CO 0.00 0.13 0.22 -0.51 -1.84 0.00 0.00 175.26 173.26 1wfi s LEU 19 N -3.85 3.97 -0.08 1.83 2.01 0.56 -2.40 118.68 120.71 1wfi s LEU 19 Ca 0.37 -0.11 -0.03 0.00 0.01 0.00 0.00 54.13 54.37 1wfi s LEU 19 Cb -0.03 -2.52 0.05 0.00 0.01 0.00 0.00 46.19 43.69 1wfi s LEU 19 CO 0.23 -0.01 0.16 -1.81 1.01 0.00 0.00 176.35 175.94 1wfi s ASP 20 N -3.62 0.45 0.03 2.29 1.01 -0.14 -3.09 116.67 113.61 1wfi s ASP 20 Ca 0.33 0.34 0.03 0.00 0.71 0.00 0.00 52.55 53.96 1wfi s ASP 20 Cb -0.09 0.28 -0.02 0.00 1.01 0.00 0.00 42.92 44.10 1wfi s ASP 20 CO 0.26 -0.21 -0.09 -0.22 0.21 0.00 0.00 175.17 175.11 1wfi s LEU 21 N 1.95 2.19 -0.08 1.23 1.98 0.25 0.23 118.68 126.42 1wfi s LEU 21 Ca -0.01 -0.44 -0.04 0.00 -2.89 0.00 0.00 54.13 50.75 1wfi s LEU 21 Cb -0.12 -0.31 0.04 0.00 0.66 0.00 0.00 46.19 46.46 1wfi s LEU 21 CO -0.06 -0.09 0.19 0.00 -1.89 0.00 0.00 176.35 174.50 1wfi s ALA 22 N -0.99 -0.40 -0.32 5.97 0.00 0.49 0.11 121.76 126.62 1wfi s ALA 22 Ca -0.04 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.74 1wfi s ALA 22 Cb -0.08 -0.53 0.10 0.00 0.00 0.00 0.00 23.12 22.61 1wfi s ALA 22 CO 0.01 -0.17 0.07 0.08 0.00 0.00 0.00 175.76 175.75 1wfi s VAL 23 N 1.18 1.50 -0.17 0.00 1.01 0.13 -2.38 120.40 121.67 1wfi s VAL 23 Ca -0.09 -1.80 -0.29 0.00 0.00 0.00 0.00 61.98 59.80 1wfi s VAL 23 Cb -0.11 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1wfi s VAL 23 CO -0.07 -0.62 1.27 -2.16 0.00 0.00 0.00 175.10 173.52 1wfi s PRO 24 N 1.30 4.22 -0.29 2.72 0.04 -1.26 0.16 135.00 141.89 1wfi s PRO 24 Ca 0.10 1.66 -0.10 0.00 0.04 0.00 0.00 61.00 62.70 1wfi s PRO 24 Cb -0.18 -3.77 -0.03 0.00 0.04 0.00 0.00 34.50 30.55 1wfi s PRO 24 CO -0.17 -0.72 0.16 -0.06 0.04 0.00 0.00 177.00 176.25 1wfi s PHE 25 N 3.54 3.18 -0.95 0.56 0.08 0.41 -4.93 117.98 119.87 1wfi s PHE 25 Ca 0.55 -0.17 -0.25 0.00 0.12 0.00 0.00 56.93 57.18 1wfi s PHE 25 Cb -0.22 -2.36 -0.13 0.00 -0.57 0.00 0.00 43.02 39.75 1wfi s PHE 25 CO 0.15 -0.28 2.15 0.50 -0.10 0.00 0.00 175.22 177.64 1wfi s ARG 26 N 1.70 1.88 0.34 0.44 3.00 -1.26 -4.75 118.95 120.30 1wfi s ARG 26 Ca 0.06 -0.18 0.04 0.00 -1.00 0.00 0.00 55.73 54.64 1wfi s ARG 26 Cb -0.16 -4.97 -0.01 0.00 0.00 0.00 0.00 34.95 29.80 1wfi s ARG 26 CO 0.08 -4.36 0.13 1.33 0.00 0.00 0.00 175.30 172.48 1wfi n VAL 27 N 8.47 0.00 -0.28 7.11 0.24 -1.26 -5.06 118.33 127.55 1wfi n VAL 27 Ca 0.44 -1.99 0.00 0.00 -2.04 0.00 0.00 64.34 60.74 1wfi n VAL 27 Cb 0.45 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 1wfi n VAL 27 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1wfi n SER 28 N -1.62 0.89 -4.44 -1.34 7.64 -1.26 -5.06 113.62 108.42 1wfi n SER 28 Ca -0.04 -1.17 -0.30 0.00 1.01 0.00 0.00 58.87 58.36 1wfi n SER 28 Cb 0.51 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.17 1.78 -0.52 1.43 -0.71 -1.26 -5.10 117.98 113.43 1wfi s PHE 29 Ca 0.00 -1.15 -0.17 0.00 -1.04 0.00 0.00 56.93 54.57 1wfi s PHE 29 Cb 0.00 -1.39 0.09 0.00 -1.21 0.00 0.00 43.02 40.51 1wfi s PHE 29 CO 0.00 -0.05 0.52 1.03 -1.34 0.00 0.00 175.22 175.38 1wfi s ARG 30 N -3.79 3.02 -0.11 1.99 3.00 -1.25 -4.62 118.95 117.19 1wfi s ARG 30 Ca 0.11 -1.34 -0.37 0.00 0.00 0.00 0.00 55.73 54.13 1wfi s ARG 30 Cb 0.01 -4.19 -0.14 0.00 0.00 0.00 0.00 34.95 30.63 1wfi s ARG 30 CO 0.07 -1.23 1.73 1.28 0.00 0.00 0.00 175.30 177.15 1wfi n LEU 31 N 5.60 2.77 -4.95 2.53 7.99 -1.24 -4.94 117.00 124.76 1wfi n LEU 31 Ca -0.11 1.04 -0.24 0.00 -0.01 0.00 0.00 56.01 56.70 1wfi n LEU 31 Cb 0.43 -1.27 0.03 0.00 -0.11 0.00 0.00 43.42 42.50 1wfi n LEU 31 CO 0.52 -0.35 0.41 -0.54 -1.51 0.00 0.00 177.39 175.92 1wfi s LYS 32 N 3.05 2.77 -0.03 3.23 -0.14 -1.26 -4.87 119.74 122.49 1wfi s LYS 32 Ca 0.92 -0.43 -0.04 0.00 -1.36 0.00 0.00 55.97 55.07 1wfi s LYS 32 Cb -0.87 -2.42 -0.16 0.00 -1.68 0.00 0.00 37.83 32.70 1wfi s LYS 32 CO 0.55 -0.62 3.06 0.41 -0.76 0.00 0.00 175.35 177.99 1wfi n GLY 33 N -2.38 2.95 1.17 -3.33 0.00 -1.26 -3.28 105.19 99.06 1wfi n GLY 33 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 2.07 0.00 -0.89 1.61 2.85 -1.26 -4.83 118.16 117.70 1wfi n LYS 34 Ca 0.30 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.38 1wfi n LYS 34 Cb 0.77 -0.20 0.08 0.00 -0.65 0.00 0.00 35.03 35.03 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 -2.08 5.14 -4.46 -5.58 8.00 -1.21 -4.88 116.55 111.48 1wfi n ASP 35 Ca 0.00 -3.14 -0.22 0.00 0.71 0.00 0.00 54.79 52.14 1wfi n ASP 35 Cb 0.00 -0.87 -0.11 0.00 -0.02 0.00 0.00 41.12 40.12 1wfi n ASP 35 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wfi s VAL 36 N -2.54 1.37 -0.11 2.53 1.01 -1.26 -2.44 120.40 118.96 1wfi s VAL 36 Ca 0.38 -2.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.29 1wfi s VAL 36 Cb 0.31 -2.73 0.06 0.00 0.00 0.00 0.00 36.38 34.02 1wfi s VAL 36 CO 0.03 -0.08 0.23 -0.69 0.00 0.00 0.00 175.10 174.60 1wfi s VAL 37 N -3.17 -0.34 -0.35 2.92 1.01 -0.49 -4.43 120.40 115.54 1wfi s VAL 37 Ca 0.35 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.63 1wfi s VAL 37 Cb 0.08 -0.39 0.15 0.00 0.00 0.00 0.00 36.38 36.21 1wfi s VAL 37 CO 0.15 0.12 0.31 -0.69 0.00 0.00 0.00 175.10 174.99 1wfi s VAL 38 N 2.27 -0.20 -0.99 2.92 1.01 -1.24 -2.08 120.40 122.09 1wfi s VAL 38 Ca 0.01 -1.11 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 1wfi s VAL 38 Cb -0.12 -0.85 0.15 0.00 0.00 0.00 0.00 36.38 35.56 1wfi s VAL 38 CO -0.08 -0.69 1.18 -0.62 0.00 0.00 0.00 175.10 174.89 1wfi s ASP 39 N 1.49 6.75 -1.02 3.32 2.15 -0.51 -4.94 116.67 123.91 1wfi s ASP 39 Ca 0.16 -2.34 -0.20 0.00 0.43 0.00 0.00 52.55 50.60 1wfi s ASP 39 Cb -0.17 -2.38 0.09 0.00 -0.30 0.00 0.00 42.92 40.15 1wfi s ASP 39 CO -0.08 -0.94 1.35 -0.63 -0.17 0.00 0.00 175.17 174.70 1wfi s ILE 40 N 2.20 4.30 0.54 4.11 1.01 -1.26 -2.53 121.20 129.57 1wfi s ILE 40 Ca 0.34 -1.26 0.02 0.00 0.00 0.00 0.00 60.65 59.75 1wfi s ILE 40 Cb -0.05 -4.96 0.03 0.00 0.01 0.00 0.00 42.46 37.50 1wfi s ILE 40 CO -0.07 -1.77 0.76 -1.10 0.00 0.00 0.00 174.94 172.76 1wfi s GLN 41 N 3.88 2.54 0.22 2.79 -1.52 0.95 -4.75 119.66 123.77 1wfi s GLN 41 Ca 0.42 -0.85 -0.10 0.00 -1.95 0.00 0.00 55.36 52.87 1wfi s GLN 41 Cb -0.02 -2.51 0.32 0.00 -0.22 0.00 0.00 33.01 30.58 1wfi s GLN 41 CO -0.08 -0.69 1.66 -0.09 -0.25 0.00 0.00 175.29 175.85 1wfi h ARG 42 N 0.12 0.13 -1.07 2.91 9.65 -1.94 -3.20 114.38 120.98 1wfi h ARG 42 Ca -0.42 -0.01 -0.37 0.00 -1.10 0.00 0.00 59.98 58.09 1wfi h ARG 42 Cb 1.29 -0.03 -0.39 0.00 -1.39 0.00 0.00 29.97 29.46 1wfi h ARG 42 CO 0.51 0.09 -1.15 -2.13 2.80 0.00 0.00 179.97 180.09 1wfi n ARG 43 N -5.27 1.12 -3.64 0.20 0.63 -1.26 0.11 116.66 108.55 1wfi n ARG 43 Ca 0.10 -3.18 -0.08 0.00 -0.92 0.00 0.00 57.85 53.76 1wfi n ARG 43 Cb 0.37 -1.24 -0.07 0.00 0.45 0.00 0.00 32.46 31.97 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 -2.84 -0.81 -0.23 -0.14 2.46 -1.21 -1.53 115.29 110.99 1wfi s HIS 44 Ca 0.28 1.74 -0.01 0.00 0.47 0.00 0.00 55.06 57.55 1wfi s HIS 44 Cb 0.44 0.45 0.07 0.00 -0.13 0.00 0.00 32.58 33.41 1wfi s HIS 44 CO 0.02 -0.40 0.01 -1.17 -2.47 0.00 0.00 174.74 170.73 1wfi s LEU 45 N 1.07 1.96 -0.54 8.88 2.96 -1.16 -0.03 118.68 131.82 1wfi s LEU 45 Ca -0.05 -1.13 -0.02 0.00 -0.22 0.00 0.00 54.13 52.71 1wfi s LEU 45 Cb -0.05 -0.88 0.14 0.00 0.50 0.00 0.00 46.19 45.90 1wfi s LEU 45 CO -0.12 -0.30 0.34 -0.60 -1.32 0.00 0.00 176.35 174.35 1wfi s ARG 46 N 1.62 2.30 0.34 1.98 3.52 -1.05 -2.93 118.95 124.73 1wfi s ARG 46 Ca -0.01 -2.32 0.07 0.00 -0.13 0.00 0.00 55.73 53.34 1wfi s ARG 46 Cb -0.18 -3.62 -0.02 0.00 -1.56 0.00 0.00 34.95 29.57 1wfi s ARG 46 CO -0.10 -1.13 0.34 0.08 -0.81 0.00 0.00 175.30 173.68 1wfi s VAL 47 N 0.28 3.62 0.00 7.11 1.01 0.16 -1.43 120.40 131.15 1wfi s VAL 47 Ca 0.14 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.85 1wfi s VAL 47 Cb -0.22 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1wfi s VAL 47 CO -0.03 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.52 1wfi n GLY 48 N -1.45 3.73 3.70 4.51 0.00 -0.88 -2.19 105.19 112.61 1wfi n GLY 48 Ca -0.01 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 4.33 0.11 0.99 1.43 -1.26 -1.40 118.68 122.88 1wfi s LEU 49 Ca 0.00 1.80 -0.32 0.00 -1.03 0.00 0.00 54.13 54.58 1wfi s LEU 49 Cb 0.00 -3.57 -0.18 0.00 0.03 0.00 0.00 46.19 42.48 1wfi s LEU 49 CO 0.00 -0.44 0.73 1.17 0.23 0.00 0.00 176.35 178.04 1wfi n LYS 50 N 4.42 0.00 0.00 1.70 4.81 -1.02 0.86 118.16 128.92 1wfi n LYS 50 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1wfi n LYS 50 Cb 0.48 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 34.35 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 1.72 1.36 3.76 3.14 0.00 -1.26 -4.95 105.19 108.95 1wfi n GLY 51 Ca 0.18 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 0.74 0.38 1.61 -0.21 0.25 -5.01 119.66 117.41 1wfi s GLN 52 Ca 0.00 0.26 -0.25 0.00 0.02 0.00 0.00 55.36 55.39 1wfi s GLN 52 Cb 0.00 -1.80 -0.09 0.00 1.00 0.00 0.00 33.01 32.12 1wfi s GLN 52 CO 0.00 -2.46 1.06 -1.25 -2.12 0.00 0.00 175.29 170.52 1wfi s PRO 53 N -5.26 4.24 -0.37 2.91 0.04 -1.26 -4.56 135.00 130.74 1wfi s PRO 53 Ca 0.65 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.97 1wfi s PRO 53 Cb -0.14 -2.66 0.01 0.00 0.04 0.00 0.00 34.50 31.74 1wfi s PRO 53 CO 0.54 -0.08 1.39 -1.25 0.04 0.00 0.00 177.00 177.64 1wfi s PRO 54 N -2.31 3.69 0.00 0.56 0.04 -1.25 -4.31 135.00 131.42 1wfi s PRO 54 Ca 0.55 1.07 0.15 0.00 0.04 0.00 0.00 61.00 62.82 1wfi s PRO 54 Cb -0.24 -3.98 0.73 0.00 0.04 0.00 0.00 34.50 31.05 1wfi s PRO 54 CO 0.30 -1.41 1.45 1.55 0.04 0.00 0.00 177.00 178.93 1wfi n VAL 55 N 6.77 0.71 -3.74 -0.36 3.14 -0.93 -4.39 118.33 119.53 1wfi n VAL 55 Ca 0.16 0.18 -0.24 0.00 -2.96 0.00 0.00 64.34 61.48 1wfi n VAL 55 Cb 0.47 -0.92 -0.17 0.00 -1.06 0.00 0.00 33.84 32.16 1wfi n VAL 55 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1wfi s VAL 56 N -2.73 0.32 -0.24 1.55 1.01 -1.18 -4.81 120.40 114.32 1wfi s VAL 56 Ca 0.12 -0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 1wfi s VAL 56 Cb 0.10 -0.63 0.06 0.00 0.00 0.00 0.00 36.38 35.92 1wfi s VAL 56 CO 0.25 0.08 0.64 1.51 0.00 0.00 0.00 175.10 177.58 1wfi s ASP 57 N 1.98 -0.69 0.00 3.32 -4.77 -1.15 -0.66 116.67 114.69 1wfi s ASP 57 Ca 0.03 1.31 0.00 0.00 -3.30 0.00 0.00 52.55 50.59 1wfi s ASP 57 Cb -0.14 1.31 0.00 0.00 -1.09 0.00 0.00 42.92 43.00 1wfi s ASP 57 CO -0.06 -0.22 0.00 0.61 0.70 0.00 0.00 175.17 176.19 1wfi n GLY 58 N 2.92 4.20 3.62 2.12 0.00 -1.25 -3.97 105.19 112.83 1wfi n GLY 58 Ca -0.15 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 1wfi n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wfi s GLU 59 N -2.96 3.79 1.02 1.61 2.12 -1.26 -2.98 118.70 120.04 1wfi s GLU 59 Ca 0.00 1.34 -0.19 0.00 0.36 0.00 0.00 54.97 56.47 1wfi s GLU 59 Cb 0.00 -3.97 -0.06 0.00 0.26 0.00 0.00 34.13 30.35 1wfi s GLU 59 CO 0.00 -1.29 -0.56 1.28 -0.54 0.00 0.00 175.26 174.15 1wfi n LEU 60 N 8.23 -3.13 -0.24 2.70 4.77 -0.58 0.32 117.00 129.07 1wfi n LEU 60 Ca 0.17 0.10 0.02 0.00 -0.03 0.00 0.00 56.01 56.26 1wfi n LEU 60 Cb 0.46 -0.84 0.25 0.00 -2.33 0.00 0.00 43.42 40.96 1wfi n LEU 60 CO 0.65 -3.93 1.24 0.22 -1.33 0.00 0.00 177.39 174.24 1wfi h TYR 61 N -1.36 0.97 -2.94 -1.77 3.20 -1.71 -3.35 116.97 110.01 1wfi h TYR 61 Ca -0.45 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.51 1wfi h TYR 61 Cb 1.34 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 39.24 1wfi h TYR 61 CO 0.18 0.58 0.27 1.21 -1.64 0.00 0.00 178.16 178.76 1wfi s ASN 62 N -6.25 -0.18 0.48 -2.11 2.47 -1.26 -4.88 114.94 103.20 1wfi s ASN 62 Ca -0.11 -0.73 -0.23 0.00 0.42 0.00 0.00 52.86 52.21 1wfi s ASN 62 Cb 0.18 0.74 -0.08 0.00 -1.45 0.00 0.00 41.25 40.64 1wfi s ASN 62 CO 0.79 -1.39 1.16 -0.62 -3.72 0.00 0.00 177.10 173.32 1wfi n GLU 63 N -0.48 1.54 -3.76 0.43 1.02 -1.25 -4.59 120.64 113.55 1wfi n GLU 63 Ca -0.05 0.56 -0.15 0.00 -0.02 0.00 0.00 57.16 57.50 1wfi n GLU 63 Cb 0.59 -2.29 -0.15 0.00 -0.02 0.00 0.00 31.44 29.57 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 -1.29 -0.06 -0.65 2.62 -7.23 0.30 -3.17 120.40 110.92 1wfi s VAL 64 Ca 0.66 0.21 -0.28 0.00 -1.81 0.00 0.00 61.98 60.76 1wfi s VAL 64 Cb -0.49 -0.15 -0.12 0.00 0.56 0.00 0.00 36.38 36.18 1wfi s VAL 64 CO 0.54 0.09 2.49 1.17 -0.31 0.00 0.00 175.10 179.08 1wfi n LYS 65 N 4.23 0.71 0.22 4.82 4.81 0.56 -4.40 118.16 129.11 1wfi n LYS 65 Ca -0.27 0.02 0.11 0.00 -0.87 0.00 0.00 58.31 57.31 1wfi n LYS 65 Cb 0.51 -2.73 0.35 0.00 0.02 0.00 0.00 35.03 33.18 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 7.75 0.33 0.00 3.15 -1.51 -1.85 -1.12 116.25 122.99 1wfi h VAL 66 Ca -0.18 -1.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.15 1wfi h VAL 66 Cb 1.29 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 32.34 1wfi h VAL 66 CO 1.22 0.16 0.00 -0.33 -1.23 0.00 0.00 177.57 177.39 1wfi h GLU 67 N 0.00 0.00 0.00 5.19 5.08 -1.91 -2.90 114.58 120.03 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 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1wfi h GLU 67 CO 0.02 0.00 -0.71 0.39 -1.00 0.00 0.00 179.01 177.71 1wfi n GLU 68 N -2.71 2.76 -1.84 2.33 1.02 -1.00 -5.01 120.64 116.19 1wfi n GLU 68 Ca 0.03 -0.02 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 1wfi n GLU 68 Cb 0.35 -1.07 0.05 0.00 -0.02 0.00 0.00 31.44 30.75 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 -2.29 4.93 -0.18 1.62 0.01 -0.46 -4.79 113.70 112.55 1wfi s SER 69 Ca 0.03 2.34 -0.13 0.00 1.31 0.00 0.00 55.95 59.49 1wfi s SER 69 Cb 0.08 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.77 1wfi s SER 69 CO 0.46 -1.76 0.45 -0.94 0.41 0.00 0.00 173.24 171.86 1wfi s SER 70 N -1.81 -0.52 0.09 2.44 1.04 -0.54 -4.99 113.70 109.41 1wfi s SER 70 Ca 0.76 0.95 0.07 0.00 0.48 0.00 0.00 55.95 58.21 1wfi s SER 70 Cb -0.29 0.90 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 1wfi s SER 70 CO 0.37 -0.18 -0.19 -1.66 0.98 0.00 0.00 173.24 172.56 1wfi s TRP 71 N 0.76 1.64 0.21 5.02 1.48 -1.26 -0.28 118.94 126.51 1wfi s TRP 71 Ca -0.04 -0.43 -0.18 0.00 -1.06 0.00 0.00 56.10 54.39 1wfi s TRP 71 Cb -0.05 -0.90 0.02 0.00 -1.16 0.00 0.00 33.47 31.38 1wfi s TRP 71 CO -0.06 0.16 0.55 -0.48 -4.06 0.00 0.00 176.95 173.07 1wfi s LEU 72 N -1.83 0.02 -0.49 -4.66 2.34 0.11 -4.98 118.68 109.20 1wfi s LEU 72 Ca 0.04 -0.53 -0.14 0.00 0.06 0.00 0.00 54.13 53.56 1wfi s LEU 72 Cb -0.10 2.21 0.10 0.00 -0.56 0.00 0.00 46.19 47.84 1wfi s LEU 72 CO 0.04 -1.11 0.40 -0.63 -1.06 0.00 0.00 176.35 174.00 1wfi s ILE 73 N -3.89 4.98 0.24 1.48 1.09 -1.26 0.20 121.20 124.04 1wfi s ILE 73 Ca 0.11 -1.32 -0.30 0.00 -1.10 0.00 0.00 60.65 58.04 1wfi s ILE 73 Cb -0.02 -4.08 -0.09 0.00 -1.06 0.00 0.00 42.46 37.21 1wfi s ILE 73 CO -0.00 -0.68 1.28 -1.61 -0.10 0.00 0.00 174.94 173.83 1wfi s GLU 74 N 1.57 4.41 -0.88 2.79 0.41 0.13 -2.32 118.70 124.81 1wfi s GLU 74 Ca 0.04 2.06 0.00 0.00 -0.41 0.00 0.00 54.97 56.66 1wfi s GLU 74 Cb -0.26 -3.16 0.00 0.00 -1.78 0.00 0.00 34.13 28.93 1wfi s GLU 74 CO 0.04 -0.18 0.00 -0.25 -0.49 0.00 0.00 175.26 174.38 1wfi n ASP 75 N 2.00 -2.64 -4.09 -0.19 8.00 -1.26 -1.39 116.55 116.97 1wfi n ASP 75 Ca 0.04 0.24 -0.38 0.00 0.71 0.00 0.00 54.79 55.40 1wfi n ASP 75 Cb 0.43 -2.49 -0.02 0.00 -0.02 0.00 0.00 41.12 39.02 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 -0.37 -0.56 0.00 0.44 0.00 -0.98 -4.69 105.19 99.02 1wfi n GLY 76 Ca -0.10 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.74 0.00 -4.75 1.61 2.85 -0.49 -3.61 118.16 109.04 1wfi n LYS 77 Ca -0.20 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.73 1wfi n LYS 77 Cb 0.62 -0.08 -0.13 0.00 -0.65 0.00 0.00 35.03 34.79 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 -1.00 3.27 -0.49 0.58 -7.23 -0.93 -0.45 120.40 114.16 1wfi s VAL 78 Ca 0.00 -0.62 -0.24 0.00 -1.81 0.00 0.00 61.98 59.31 1wfi s VAL 78 Cb 0.00 -2.34 0.03 0.00 0.56 0.00 0.00 36.38 34.63 1wfi s VAL 78 CO 0.00 0.56 0.88 -0.69 -0.31 0.00 0.00 175.10 175.53 1wfi s VAL 79 N -0.23 4.51 0.07 1.32 1.01 0.42 0.21 120.40 127.71 1wfi s VAL 79 Ca 0.02 0.44 -0.10 0.00 0.00 0.00 0.00 61.98 62.34 1wfi s VAL 79 Cb -0.13 -4.43 -0.06 0.00 0.00 0.00 0.00 36.38 31.76 1wfi s VAL 79 CO 0.03 -0.89 0.39 -0.89 0.00 0.00 0.00 175.10 173.74 1wfi s THR 80 N 3.63 5.11 0.04 3.92 2.01 0.53 0.19 115.64 131.06 1wfi s THR 80 Ca 0.32 0.43 0.02 0.00 0.31 0.00 0.00 61.69 62.77 1wfi s THR 80 Cb -0.12 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 1wfi s THR 80 CO 0.22 0.29 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.67 1wfi s VAL 81 N -1.39 0.59 -0.09 3.82 1.01 0.30 0.06 120.40 124.70 1wfi s VAL 81 Ca 0.33 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1wfi s VAL 81 Cb -0.14 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.65 1wfi s VAL 81 CO 0.18 -0.29 0.02 -2.28 0.00 0.00 0.00 175.10 172.73 1wfi s HIS 82 N -1.19 0.60 -0.08 5.22 5.04 0.62 0.85 115.29 126.36 1wfi s HIS 82 Ca -0.07 -0.20 -0.02 0.00 -1.54 0.00 0.00 55.06 53.22 1wfi s HIS 82 Cb -0.09 -0.78 -0.03 0.00 0.04 0.00 0.00 32.58 31.72 1wfi s HIS 82 CO 0.00 -0.36 0.03 -0.51 -2.34 0.00 0.00 174.74 171.57 1wfi s LEU 83 N 2.00 3.72 -0.32 8.88 2.01 -1.18 -1.47 118.68 132.32 1wfi s LEU 83 Ca 0.04 0.18 -0.11 0.00 0.01 0.00 0.00 54.13 54.25 1wfi s LEU 83 Cb -0.13 -1.91 -0.02 0.00 0.01 0.00 0.00 46.19 44.14 1wfi s LEU 83 CO -0.05 0.37 0.20 -0.70 1.01 0.00 0.00 176.35 177.17 1wfi s GLU 84 N -1.04 3.49 0.46 1.70 2.56 -1.25 0.21 118.70 124.83 1wfi s GLU 84 Ca 0.15 -0.63 -0.25 0.00 0.00 0.00 0.00 54.97 54.24 1wfi s GLU 84 Cb -0.11 -3.69 -0.08 0.00 2.00 0.00 0.00 34.13 32.25 1wfi s GLU 84 CO 0.04 -0.40 1.39 0.15 -0.56 0.00 0.00 175.26 175.88 1wfi s LYS 85 N 1.68 3.63 0.25 4.30 1.02 -1.08 0.21 119.74 129.76 1wfi s LYS 85 Ca 0.06 2.32 0.11 0.00 0.02 0.00 0.00 55.97 58.48 1wfi s LYS 85 Cb -0.17 -2.59 0.26 0.00 -0.52 0.00 0.00 37.83 34.81 1wfi s LYS 85 CO 0.09 -0.82 1.54 0.82 -0.92 0.00 0.00 175.35 176.06 1wfi h ILE 86 N 2.15 1.38 0.00 2.17 1.08 -1.88 -3.32 117.51 119.10 1wfi h ILE 86 Ca -0.51 -2.33 -0.22 0.00 -0.39 0.00 0.00 64.86 61.41 1wfi h ILE 86 Cb 1.27 2.29 -0.04 0.00 -3.07 0.00 0.00 36.82 37.27 1wfi h ILE 86 CO 0.61 0.65 -1.84 0.59 -0.69 0.00 0.00 178.15 177.46 1wfi n ASN 87 N -3.61 2.28 -3.70 1.72 4.13 -1.26 -5.03 115.26 109.79 1wfi n ASN 87 Ca -0.01 -0.03 -0.29 0.00 1.68 0.00 0.00 54.58 55.94 1wfi n ASN 87 Cb 0.68 0.47 0.01 0.00 -1.54 0.00 0.00 39.78 39.40 1wfi n ASN 87 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1wfi n LYS 88 N -2.60 -1.66 0.00 3.52 2.85 -1.25 -4.83 118.16 114.18 1wfi n LYS 88 Ca -0.22 0.97 0.00 0.00 -1.05 0.00 0.00 58.31 58.01 1wfi n LYS 88 Cb 0.86 -2.27 0.00 0.00 -0.65 0.00 0.00 35.03 32.97 1wfi n LYS 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wfi n MET 89 N -1.89 0.00 -0.45 -1.58 0.00 -1.06 -4.67 117.12 107.47 1wfi n MET 89 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.45 1wfi n MET 89 Cb 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 33.22 33.81 1wfi n MET 89 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1wfi n GLU 90 N -1.86 0.59 -4.95 3.17 0.00 -1.26 -4.90 120.64 111.43 1wfi n GLU 90 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 56.89 1wfi n GLU 90 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 31.44 31.28 1wfi n GLU 90 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.13 176.67 1wfi s TRP 91 N 0.03 1.89 -0.25 -1.84 -0.11 -1.26 -4.40 118.94 113.00 1wfi s TRP 91 Ca 0.00 -0.53 -0.27 0.00 1.22 0.00 0.00 56.10 56.52 1wfi s TRP 91 Cb 0.00 -1.26 0.01 0.00 -1.50 0.00 0.00 33.47 30.72 1wfi s TRP 91 CO 0.00 -0.16 0.97 -1.58 -4.62 0.00 0.00 176.95 171.55 1wfi s TRP 92 N -0.07 3.30 -0.93 5.86 0.52 -1.26 -4.87 118.94 121.49 1wfi s TRP 92 Ca -0.02 1.30 0.10 0.00 0.02 0.00 0.00 56.10 57.49 1wfi s TRP 92 Cb -0.12 -3.25 0.43 0.00 -1.15 0.00 0.00 33.47 29.39 1wfi s TRP 92 CO 0.02 -0.49 1.31 -1.71 0.02 0.00 0.00 176.95 176.10 1wfi n ASN 93 N 6.28 0.07 0.00 2.95 2.85 -1.26 -4.80 115.26 121.35 1wfi n ASN 93 Ca 0.10 0.52 0.00 0.00 -0.11 0.00 0.00 54.58 55.09 1wfi n ASN 93 Cb 0.47 -0.54 0.00 0.00 1.24 0.00 0.00 39.78 40.95 1wfi n ASN 93 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1wfi n ARG 94 N -1.58 0.00 -0.02 1.20 0.00 -1.26 -5.09 116.66 109.91 1wfi n ARG 94 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.83 1wfi n ARG 94 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.55 1wfi n ARG 94 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1wfi n LEU 95 N 0.00 0.29 -4.03 2.89 -0.00 -1.26 -4.87 117.00 110.02 1wfi n LEU 95 Ca 0.00 0.05 -0.25 0.00 -0.00 0.00 0.00 56.01 55.81 1wfi n LEU 95 Cb 0.00 -0.12 -0.17 0.00 -0.00 0.00 0.00 43.42 43.14 1wfi n LEU 95 CO 0.00 0.09 -0.47 0.68 -0.00 0.00 0.00 177.39 177.68 1wfi s VAL 96 N -2.07 1.16 0.51 1.96 -7.23 -1.26 -1.94 120.40 111.53 1wfi s VAL 96 Ca -0.06 -0.50 0.44 0.00 -1.81 0.00 0.00 61.98 60.06 1wfi s VAL 96 Cb 0.02 -1.06 0.66 0.00 0.56 0.00 0.00 36.38 36.56 1wfi s VAL 96 CO 0.07 0.36 1.51 0.35 -0.31 0.00 0.00 175.10 177.08 1wfi n THR 97 N 3.75 -0.06 0.00 5.32 -2.24 0.15 -4.63 114.28 116.57 1wfi n THR 97 Ca -0.22 1.52 0.00 0.00 -2.27 0.00 0.00 64.05 63.08 1wfi n THR 97 Cb 0.52 -2.52 0.00 0.00 -2.10 0.00 0.00 70.33 66.23 1wfi n THR 97 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wfi n SER 98 N -4.06 0.00 -4.18 3.42 7.64 -1.26 -5.05 113.62 110.13 1wfi n SER 98 Ca 0.42 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.95 1wfi n SER 98 Cb 1.84 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 65.14 1wfi n SER 98 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1wfi n ASP 99 N 0.00 -3.26 0.00 6.43 5.68 -1.26 -3.97 116.55 120.17 1wfi n ASP 99 Ca 0.00 0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 1wfi n ASP 99 Cb 0.00 -0.85 0.00 0.00 -1.14 0.00 0.00 41.12 39.13 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 0.15 0.00 0.00 0.11 -0.04 -1.25 -4.87 135.00 129.10 1wfi n PRO 100 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1wfi n PRO 100 Cb 0.62 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.74 1wfi n PRO 100 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wfi n GLU 101 N -0.22 0.00 -4.42 0.54 0.28 -1.26 -5.10 120.64 110.46 1wfi n GLU 101 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.75 1wfi n GLU 101 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 1wfi n GLU 101 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1wfi s ILE 102 N 1.22 2.63 0.00 3.84 1.01 -1.26 -5.12 121.20 123.51 1wfi s ILE 102 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 60.65 58.50 1wfi s ILE 102 Cb 0.00 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.13 1wfi s ILE 102 CO 0.00 -0.28 0.00 -3.20 0.00 0.00 0.00 174.94 171.46 1wfi n ASN 103 N -0.30 0.00 -4.81 3.58 2.85 -1.26 -5.17 115.26 110.16 1wfi n ASN 103 Ca -0.08 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.05 1wfi n ASN 103 Cb 0.58 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.53 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 0.00 4.89 0.27 -0.44 -4.23 -1.26 -4.95 115.64 109.92 1wfi s THR 104 Ca 0.00 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.21 1wfi s THR 104 Cb 0.00 -3.23 0.05 0.00 1.34 0.00 0.00 72.50 70.66 1wfi s THR 104 CO 0.00 0.38 0.37 2.29 -0.54 0.00 0.00 174.62 177.12 1wfi n LYS 105 N 1.25 0.43 -2.04 3.99 2.85 -1.26 -5.05 118.16 118.33 1wfi n LYS 105 Ca -0.13 -1.06 -0.13 0.00 -1.05 0.00 0.00 58.31 55.94 1wfi n LYS 105 Cb 0.53 -0.22 0.05 0.00 -0.65 0.00 0.00 35.03 34.74 1wfi n LYS 105 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1wfi n LYS 106 N -1.66 0.52 -0.33 -1.58 4.01 -1.26 -4.63 118.16 113.23 1wfi n LYS 106 Ca 0.06 -1.80 0.24 0.00 -0.51 0.00 0.00 58.31 56.30 1wfi n LYS 106 Cb 0.22 -0.25 0.47 0.00 -0.51 0.00 0.00 35.03 34.96 1wfi n LYS 106 CO 0.00 0.00 0.00 -0.84 -1.11 0.00 0.00 177.40 175.45 1wfi h ILE 107 N -0.18 0.27 0.00 -0.18 -2.65 -2.00 -3.44 117.51 109.34 1wfi h ILE 107 Ca -0.18 -0.10 0.00 0.00 1.03 0.00 0.00 64.86 65.61 1wfi h ILE 107 Cb 0.75 -0.04 0.00 0.00 -2.05 0.00 0.00 36.82 35.48 1wfi h ILE 107 CO 0.23 0.05 0.00 -3.20 0.03 0.00 0.00 178.15 175.26 1wfi n ASN 108 N -5.09 0.00 0.01 2.16 5.15 -1.26 -5.04 115.26 111.19 1wfi n ASN 108 Ca 0.32 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 54.11 1wfi n ASN 108 Cb 0.99 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 40.15 1wfi n ASN 108 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1wfi h PRO 109 N 0.00 0.71 -5.62 1.20 0.13 -1.91 -3.49 132.00 123.01 1wfi h PRO 109 Ca 0.00 -0.69 -0.04 0.00 -0.87 0.00 0.00 66.00 64.40 1wfi h PRO 109 Cb 0.00 0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.31 1wfi h PRO 109 CO 0.00 1.28 -0.88 0.39 -0.23 0.00 0.00 178.00 178.56 1wfi n GLU 110 N -3.93 -0.38 0.00 0.86 -0.58 -1.26 -4.98 120.64 110.37 1wfi n GLU 110 Ca -0.10 0.71 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 1wfi n GLU 110 Cb 0.81 -0.93 0.00 0.00 -0.57 0.00 0.00 31.44 30.75 1wfi n GLU 110 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1wfi n ASN 111 N 1.17 0.00 -2.68 1.62 4.13 -1.26 -5.09 115.26 113.15 1wfi n ASN 111 Ca -0.01 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.19 1wfi n ASN 111 Cb 0.45 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.75 1wfi n ASN 111 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1wfi n SER 112 N 0.00 -1.62 -2.87 6.41 3.41 -1.26 -4.76 113.62 112.92 1wfi n SER 112 Ca 0.00 -2.27 -0.03 0.00 -0.26 0.00 0.00 58.87 56.31 1wfi n SER 112 Cb 0.00 1.15 0.03 0.00 -0.26 0.00 0.00 64.21 65.13 1wfi n SER 112 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wfi n LYS 113 N -0.31 -1.91 -3.37 4.33 5.02 -1.26 -5.06 118.16 115.61 1wfi n LYS 113 Ca -0.11 -0.15 -0.10 0.00 -2.02 0.00 0.00 58.31 55.93 1wfi n LYS 113 Cb 0.75 -0.18 -0.09 0.00 -0.02 0.00 0.00 35.03 35.50 1wfi n LYS 113 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1wfi s LEU 114 N 0.00 -0.56 -0.40 -0.35 2.96 -1.26 -5.10 118.68 113.96 1wfi s LEU 114 Ca 0.07 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 1wfi s LEU 114 Cb -0.01 1.01 0.11 0.00 0.50 0.00 0.00 46.19 47.80 1wfi s LEU 114 CO 0.05 -0.31 0.14 -0.94 -1.32 0.00 0.00 176.35 173.98 1wfi s SER 115 N 2.51 4.80 -0.40 3.68 1.04 -1.26 -5.00 113.70 119.07 1wfi s SER 115 Ca 0.12 -2.34 0.02 0.00 0.48 0.00 0.00 55.95 54.23 1wfi s SER 115 Cb -0.15 -1.68 0.16 0.00 0.10 0.00 0.00 66.02 64.44 1wfi s SER 115 CO -0.16 -0.38 0.29 -1.81 0.98 0.00 0.00 173.24 172.16 1wfi s ASP 116 N 0.83 2.36 -0.51 7.02 1.11 -1.26 -5.08 116.67 121.14 1wfi s ASP 116 Ca 0.12 -2.73 -0.27 0.00 0.18 0.00 0.00 52.55 49.86 1wfi s ASP 116 Cb -0.21 -0.53 -0.04 0.00 1.07 0.00 0.00 42.92 43.21 1wfi s ASP 116 CO -0.05 -0.23 2.08 -1.48 1.18 0.00 0.00 175.17 176.66 1wfi s LEU 117 N 0.40 3.37 -0.24 1.23 0.05 -1.26 -4.85 118.68 117.38 1wfi s LEU 117 Ca 0.26 0.82 -0.28 0.00 0.05 0.00 0.00 54.13 54.97 1wfi s LEU 117 Cb -0.09 -2.70 0.15 0.00 -2.05 0.00 0.00 46.19 41.50 1wfi s LEU 117 CO -0.10 -2.46 1.16 -0.62 -0.55 0.00 0.00 176.35 173.78 1wfi s ASP 118 N 9.37 -0.26 -1.24 1.48 2.15 -1.26 -5.07 116.67 121.84 1wfi s ASP 118 Ca 0.82 0.38 -0.11 0.00 0.43 0.00 0.00 52.55 54.07 1wfi s ASP 118 Cb -0.17 0.34 0.18 0.00 -0.30 0.00 0.00 42.92 42.97 1wfi s ASP 118 CO 0.25 -0.18 1.65 -1.54 -0.17 0.00 0.00 175.17 175.18 1wfi n SER 119 N 1.17 5.21 -3.97 -0.34 3.41 -1.26 -4.89 113.62 112.94 1wfi n SER 119 Ca -0.09 -3.06 -0.31 0.00 -0.26 0.00 0.00 58.87 55.16 1wfi n SER 119 Cb 0.57 -1.51 -0.15 0.00 -0.26 0.00 0.00 64.21 62.87 1wfi n SER 119 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1wfi s GLU 120 N 0.76 1.42 0.13 4.33 2.12 -1.26 -5.09 118.70 121.10 1wfi s GLU 120 Ca 0.41 -1.85 0.10 0.00 0.36 0.00 0.00 54.97 53.99 1wfi s GLU 120 Cb 0.03 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 1wfi s GLU 120 CO 0.01 -0.97 -0.25 -0.08 -0.54 0.00 0.00 175.26 173.43 1wfi s THR 121 N 0.87 2.09 -0.31 -1.70 -1.32 -1.26 -5.12 115.64 108.89 1wfi s THR 121 Ca 0.12 -1.72 -0.05 0.00 -1.21 0.00 0.00 61.69 58.82 1wfi s THR 121 Cb -0.20 -1.87 0.03 0.00 -1.51 0.00 0.00 72.50 68.96 1wfi s THR 121 CO -0.09 0.02 0.06 -0.60 -2.21 0.00 0.00 174.62 171.80 1wfi s ARG 122 N -2.08 2.72 0.06 7.08 3.52 -1.26 -5.09 118.95 123.90 1wfi s ARG 122 Ca 0.12 -1.10 0.07 0.00 -0.13 0.00 0.00 55.73 54.70 1wfi s ARG 122 Cb -0.10 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.92 1wfi s ARG 122 CO 0.06 -0.58 -0.17 0.45 -0.81 0.00 0.00 175.30 174.25 1wfi s SER 123 N 1.39 3.92 -0.38 -2.12 0.15 -1.26 -5.09 113.70 110.31 1wfi s SER 123 Ca -0.01 -0.44 0.03 0.00 0.70 0.00 0.00 55.95 56.23 1wfi s SER 123 Cb -0.19 -0.64 0.16 0.00 -1.71 0.00 0.00 66.02 63.64 1wfi s SER 123 CO 0.01 0.23 0.38 -0.32 1.20 0.00 0.00 173.24 174.74 1wfi s MET 124 N -1.67 0.69 -0.30 5.44 0.00 -1.26 -5.09 119.30 117.11 1wfi s MET 124 Ca 0.16 -1.08 -0.17 0.00 0.00 0.00 0.00 55.69 54.60 1wfi s MET 124 Cb -0.11 -0.83 0.19 0.00 0.00 0.00 0.00 34.83 34.08 1wfi s MET 124 CO 0.07 -1.23 1.17 0.54 0.00 0.00 0.00 175.02 175.58 1wfi s VAL 125 N 1.18 -0.14 -0.10 10.11 0.11 -1.26 -5.16 120.40 125.14 1wfi s VAL 125 Ca 0.20 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 1wfi s VAL 125 Cb -0.13 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.70 1wfi s VAL 125 CO -0.04 0.00 -0.14 -0.94 -3.33 0.00 0.00 175.10 170.65 1wfi s SER 126 N 1.80 4.00 -0.30 3.54 1.04 -1.26 -5.07 113.70 117.45 1wfi s SER 126 Ca -0.04 -0.28 -0.15 0.00 0.48 0.00 0.00 55.95 55.97 1wfi s SER 126 Cb -0.03 -1.32 0.18 0.00 0.10 0.00 0.00 66.02 64.95 1wfi s SER 126 CO -0.15 0.23 1.13 -0.83 0.98 0.00 0.00 173.24 174.60 1wfi s GLY 127 N -0.05 -0.62 1.07 7.32 0.00 -1.26 -5.18 107.32 108.60 1wfi s GLY 127 Ca -0.03 2.54 -0.17 0.00 0.00 0.00 0.00 44.72 47.05 1wfi s GLY 127 CO 0.04 4.07 1.22 2.56 0.00 0.00 0.00 173.10 180.99 1wfi s PRO 128 N 2.98 -0.18 -0.05 2.90 0.04 -1.26 -5.10 135.00 134.33 1wfi s PRO 128 Ca 0.16 -0.22 -0.31 0.00 0.04 0.00 0.00 61.00 60.68 1wfi s PRO 128 Cb -0.04 -1.73 0.07 0.00 0.04 0.00 0.00 34.50 32.84 1wfi s PRO 128 CO -0.17 -2.99 0.70 0.45 0.04 0.00 0.00 177.00 175.02 1wfi s SER 129 N -4.39 -0.64 0.25 6.66 0.15 -1.26 -5.18 113.70 109.29 1wfi s SER 129 Ca 0.72 0.67 -0.19 0.00 0.70 0.00 0.00 55.95 57.85 1wfi s SER 129 Cb -0.07 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.79 1wfi s SER 129 CO 0.54 -0.61 0.64 -0.44 1.20 0.00 0.00 173.24 174.57 1wfi s SER 130 N -1.26 -0.26 0.00 5.45 0.01 -1.26 -5.38 113.70 111.01 1wfi s SER 130 Ca -0.10 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1wfi s SER 130 Cb -0.00 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.90 1wfi s SER 130 CO 0.08 -1.24 0.00 0.61 0.41 0.00 0.00 173.24 173.11