#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 -1.50 -4.74 1.61 3.41 -1.26 -5.14 113.62 106.00 1wfi n SER 2 Ca 0.00 0.59 -0.36 0.00 -0.26 0.00 0.00 58.87 58.84 1wfi n SER 2 Cb 0.00 1.68 0.06 0.00 -0.26 0.00 0.00 64.21 65.69 1wfi n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wfi s SER 3 N -2.00 4.77 0.00 4.04 0.15 -1.26 -5.01 113.70 114.39 1wfi s SER 3 Ca 0.00 2.50 0.00 0.00 0.70 0.00 0.00 55.95 59.15 1wfi s SER 3 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1wfi s SER 3 CO 0.00 -1.89 0.00 0.61 1.20 0.00 0.00 173.24 173.16 1wfi n GLY 4 N 0.68 3.75 1.34 9.45 0.00 -1.26 -5.04 105.19 114.11 1wfi n GLY 4 Ca 0.15 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1wfi n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfi n SER 5 N 0.00 -7.37 -4.26 1.61 2.88 -1.26 -4.13 113.62 101.09 1wfi n SER 5 Ca 0.00 0.98 -0.32 0.00 -1.33 0.00 0.00 58.87 58.21 1wfi n SER 5 Cb 0.00 -3.46 -0.16 0.00 -0.75 0.00 0.00 64.21 59.84 1wfi n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfi s SER 6 N -2.03 3.23 0.04 -3.46 0.15 -1.26 -2.96 113.70 107.41 1wfi s SER 6 Ca 0.00 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.16 1wfi s SER 6 Cb 0.00 -1.22 -0.02 0.00 -1.71 0.00 0.00 66.02 63.07 1wfi s SER 6 CO 0.00 0.20 -0.05 -0.83 1.20 0.00 0.00 173.24 173.76 1wfi s GLY 7 N 0.13 0.39 0.00 9.45 0.00 -1.26 -4.98 107.32 111.05 1wfi s GLY 7 Ca -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1wfi s GLY 7 CO 0.06 -0.83 0.00 -1.55 0.00 0.00 0.00 173.10 170.78 1wfi n PRO 8 N 1.29 0.61 -1.27 2.90 -0.04 -1.26 -4.73 135.00 132.50 1wfi n PRO 8 Ca -0.22 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.08 1wfi n PRO 8 Cb 0.56 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.14 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 -0.77 4.13 -3.52 3.54 4.13 -1.26 -4.85 115.26 116.66 1wfi n ASN 9 Ca 0.00 -3.78 -0.11 0.00 1.68 0.00 0.00 54.58 52.37 1wfi n ASN 9 Cb 0.00 -0.62 -0.04 0.00 -1.54 0.00 0.00 39.78 37.58 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 -3.46 -0.44 0.16 3.10 -0.85 -1.26 -4.89 117.35 109.71 1wfi s TYR 10 Ca 0.50 0.53 -0.26 0.00 -0.52 0.00 0.00 57.07 57.32 1wfi s TYR 10 Cb 0.43 0.49 -0.08 0.00 0.38 0.00 0.00 41.96 43.18 1wfi s TYR 10 CO 0.01 -0.53 0.80 1.03 -1.52 0.00 0.00 175.55 175.33 1wfi s ARG 11 N -2.22 4.59 -0.12 -3.49 0.52 -0.63 -4.95 118.95 112.66 1wfi s ARG 11 Ca -0.01 1.19 -0.10 0.00 -0.52 0.00 0.00 55.73 56.30 1wfi s ARG 11 Cb -0.01 -3.28 0.04 0.00 0.52 0.00 0.00 34.95 32.22 1wfi s ARG 11 CO -0.03 0.53 0.31 1.67 0.02 0.00 0.00 175.30 177.80 1wfi s TRP 12 N -1.01 -0.37 0.00 -0.53 1.48 -1.26 -0.08 118.94 117.17 1wfi s TRP 12 Ca 0.37 0.87 0.00 0.00 -1.06 0.00 0.00 56.10 56.28 1wfi s TRP 12 Cb -0.23 0.12 0.00 0.00 -1.16 0.00 0.00 33.47 32.20 1wfi s TRP 12 CO 0.27 -0.19 0.00 0.25 -4.06 0.00 0.00 176.95 173.21 1wfi n THR 13 N 3.27 0.00 -3.61 0.66 -2.24 0.44 -4.96 114.28 107.85 1wfi n THR 13 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1wfi n THR 13 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 0.00 -2.69 -0.78 10.64 -1.26 -0.40 117.38 122.89 1wfi n GLN 14 Ca 0.00 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.11 1wfi n GLN 14 Cb 0.00 0.00 0.09 0.00 -0.86 0.00 0.00 30.24 29.47 1wfi n GLN 14 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1wfi n THR 15 N 0.00 0.00 -2.52 -0.39 5.66 -0.81 -4.93 114.28 111.29 1wfi n THR 15 Ca 0.00 -1.08 -0.03 0.00 -3.05 0.00 0.00 64.05 59.89 1wfi n THR 15 Cb 0.00 1.18 -0.01 0.00 -1.55 0.00 0.00 70.33 69.96 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 0.21 -0.07 0.00 1.09 7.99 -1.26 -4.24 117.00 120.73 1wfi n LEU 16 Ca -0.03 0.32 0.00 0.00 -0.01 0.00 0.00 56.01 56.29 1wfi n LEU 16 Cb 0.73 -0.97 0.00 0.00 -0.11 0.00 0.00 43.42 43.07 1wfi n LEU 16 CO -0.05 0.01 0.00 0.00 -1.51 0.00 0.00 177.39 175.84 1wfi n ALA 17 N -2.44 1.17 -2.57 -1.18 0.00 -1.26 -2.89 120.51 111.33 1wfi n ALA 17 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 1wfi n ALA 17 Cb 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.77 2.04 -0.12 0.00 4.04 -1.26 -2.50 118.70 120.12 1wfi s GLU 18 Ca 0.00 -1.50 0.00 0.00 0.04 0.00 0.00 54.97 53.51 1wfi s GLU 18 Cb 0.00 -2.03 -0.02 0.00 0.02 0.00 0.00 34.13 32.11 1wfi s GLU 18 CO 0.00 0.37 -0.13 -0.51 -1.84 0.00 0.00 175.26 173.15 1wfi s LEU 19 N -3.44 2.73 -0.14 1.83 1.43 0.84 -1.93 118.68 120.00 1wfi s LEU 19 Ca 0.29 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1wfi s LEU 19 Cb -0.06 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1wfi s LEU 19 CO 0.17 0.18 -0.05 -1.81 0.23 0.00 0.00 176.35 175.08 1wfi s ASP 20 N 0.27 4.75 -0.03 2.29 1.01 0.46 0.17 116.67 125.58 1wfi s ASP 20 Ca -0.09 -0.11 0.02 0.00 0.71 0.00 0.00 52.55 53.08 1wfi s ASP 20 Cb -0.16 -1.68 0.01 0.00 1.01 0.00 0.00 42.92 42.11 1wfi s ASP 20 CO 0.05 0.21 -0.09 -0.22 0.21 0.00 0.00 175.17 175.33 1wfi s LEU 21 N 0.14 1.69 -0.03 1.23 1.98 0.16 0.17 118.68 124.01 1wfi s LEU 21 Ca -0.02 -0.19 0.01 0.00 -2.89 0.00 0.00 54.13 51.04 1wfi s LEU 21 Cb -0.14 -0.57 0.02 0.00 0.66 0.00 0.00 46.19 46.16 1wfi s LEU 21 CO 0.03 0.04 -0.03 0.00 -1.89 0.00 0.00 176.35 174.50 1wfi s ALA 22 N 0.39 0.46 -0.29 5.97 0.00 0.88 0.23 121.76 129.40 1wfi s ALA 22 Ca -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 1wfi s ALA 22 Cb -0.11 -0.31 0.09 0.00 0.00 0.00 0.00 23.12 22.79 1wfi s ALA 22 CO 0.01 -0.01 0.08 0.08 0.00 0.00 0.00 175.76 175.91 1wfi s VAL 23 N 0.76 0.87 -0.06 0.00 1.01 0.13 -1.61 120.40 121.50 1wfi s VAL 23 Ca -0.09 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.34 1wfi s VAL 23 Cb -0.12 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1wfi s VAL 23 CO -0.01 -0.56 1.22 -2.16 0.00 0.00 0.00 175.10 173.59 1wfi s PRO 24 N 1.64 4.34 -0.01 2.72 0.04 -1.26 -0.24 135.00 142.23 1wfi s PRO 24 Ca 0.07 1.70 0.01 0.00 0.04 0.00 0.00 61.00 62.82 1wfi s PRO 24 Cb -0.17 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 1wfi s PRO 24 CO -0.21 -0.48 -0.00 -0.06 0.04 0.00 0.00 177.00 176.29 1wfi s PHE 25 N 2.34 3.07 -1.10 0.56 0.08 -0.32 -4.95 117.98 117.67 1wfi s PHE 25 Ca 0.56 0.08 -0.22 0.00 0.12 0.00 0.00 56.93 57.48 1wfi s PHE 25 Cb -0.25 -1.68 -0.00 0.00 -0.57 0.00 0.00 43.02 40.52 1wfi s PHE 25 CO 0.22 0.46 1.75 -0.98 -0.10 0.00 0.00 175.22 176.57 1wfi s ARG 26 N -1.50 3.18 0.10 0.44 1.70 -1.26 -4.72 118.95 116.89 1wfi s ARG 26 Ca 0.19 -1.13 0.05 0.00 -0.47 0.00 0.00 55.73 54.36 1wfi s ARG 26 Cb -0.11 -5.30 -0.03 0.00 -0.57 0.00 0.00 34.95 28.93 1wfi s ARG 26 CO 0.10 -2.92 -0.13 0.14 -1.08 0.00 0.00 175.30 171.41 1wfi s VAL 27 N 7.45 1.12 -0.66 4.99 -7.23 -1.26 -5.03 120.40 119.77 1wfi s VAL 27 Ca 0.59 -1.57 0.13 0.00 -1.81 0.00 0.00 61.98 59.33 1wfi s VAL 27 Cb -0.01 -1.33 0.42 0.00 0.56 0.00 0.00 36.38 36.02 1wfi s VAL 27 CO 0.02 -0.42 1.34 -1.20 -0.31 0.00 0.00 175.10 174.54 1wfi n SER 28 N 0.76 3.42 -4.04 4.85 7.64 -1.26 -4.98 113.62 120.00 1wfi n SER 28 Ca -0.17 -2.42 -0.09 0.00 1.01 0.00 0.00 58.87 57.20 1wfi n SER 28 Cb 0.56 -0.37 -0.09 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.75 0.58 -0.57 1.43 -0.12 -1.26 -5.10 117.98 111.19 1wfi s PHE 29 Ca 0.32 -0.98 -0.28 0.00 -0.05 0.00 0.00 56.93 55.95 1wfi s PHE 29 Cb 0.22 -0.27 0.01 0.00 -0.63 0.00 0.00 43.02 42.35 1wfi s PHE 29 CO 0.14 -0.58 1.45 0.50 -0.05 0.00 0.00 175.22 176.67 1wfi s ARG 30 N -3.99 3.25 0.51 1.99 3.52 -1.23 -4.56 118.95 118.44 1wfi s ARG 30 Ca 0.18 0.45 -0.22 0.00 -0.13 0.00 0.00 55.73 56.00 1wfi s ARG 30 Cb 0.06 -4.15 -0.06 0.00 -1.56 0.00 0.00 34.95 29.24 1wfi s ARG 30 CO -0.01 -2.00 1.28 -0.51 -0.81 0.00 0.00 175.30 173.24 1wfi s LEU 31 N 6.27 3.93 0.41 -0.88 1.43 -1.17 -4.97 118.68 123.69 1wfi s LEU 31 Ca 0.53 2.58 0.08 0.00 -1.03 0.00 0.00 54.13 56.29 1wfi s LEU 31 Cb -0.11 -4.25 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 1wfi s LEU 31 CO 0.24 -1.29 0.28 -0.54 0.23 0.00 0.00 176.35 175.27 1wfi s LYS 32 N -2.80 2.40 -0.25 1.70 -0.14 -1.26 -4.78 119.74 114.61 1wfi s LYS 32 Ca 0.68 -1.67 -0.06 0.00 -1.36 0.00 0.00 55.97 53.56 1wfi s LYS 32 Cb -0.36 -2.20 -0.23 0.00 -1.68 0.00 0.00 37.83 33.36 1wfi s LYS 32 CO 0.43 -0.14 3.40 0.41 -0.76 0.00 0.00 175.35 178.68 1wfi n GLY 33 N -1.39 3.11 1.01 -3.33 0.00 -1.26 -3.11 105.19 100.22 1wfi n GLY 33 Ca 0.01 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 2.70 0.00 0.00 1.61 2.85 -1.26 -4.84 118.16 119.22 1wfi n LYS 34 Ca 0.47 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.81 1wfi n LYS 34 Cb 0.77 -0.11 0.38 0.00 -0.65 0.00 0.00 35.03 35.42 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 -2.01 0.00 -4.73 -5.58 9.92 -1.18 -4.70 116.55 108.27 1wfi n ASP 35 Ca 0.00 0.29 -0.24 0.00 -0.53 0.00 0.00 54.79 54.32 1wfi n ASP 35 Cb 0.00 -0.40 -0.07 0.00 -0.64 0.00 0.00 41.12 40.01 1wfi n ASP 35 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wfi s VAL 36 N -2.80 2.73 -0.29 2.53 0.11 -1.25 0.19 120.40 121.63 1wfi s VAL 36 Ca 0.11 -1.71 -0.02 0.00 -2.93 0.00 0.00 61.98 57.44 1wfi s VAL 36 Cb 0.11 -2.96 0.09 0.00 -1.53 0.00 0.00 36.38 32.09 1wfi s VAL 36 CO 0.28 -0.12 0.10 -0.69 -3.33 0.00 0.00 175.10 171.34 1wfi s VAL 37 N -2.49 0.58 -0.30 2.04 1.01 0.41 -4.52 120.40 117.12 1wfi s VAL 37 Ca 0.39 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1wfi s VAL 37 Cb -0.00 -1.40 0.07 0.00 0.00 0.00 0.00 36.38 35.04 1wfi s VAL 37 CO 0.23 -0.63 -0.02 -0.69 0.00 0.00 0.00 175.10 173.98 1wfi s VAL 38 N 1.78 2.53 -0.39 2.92 1.01 -1.26 -1.34 120.40 125.66 1wfi s VAL 38 Ca 0.08 -1.74 -0.07 0.00 0.00 0.00 0.00 61.98 60.26 1wfi s VAL 38 Cb -0.17 -2.58 0.08 0.00 0.00 0.00 0.00 36.38 33.71 1wfi s VAL 38 CO -0.26 -0.22 0.20 -0.62 0.00 0.00 0.00 175.10 174.19 1wfi s ASP 39 N 1.17 5.43 -0.49 3.32 2.15 0.29 -4.99 116.67 123.55 1wfi s ASP 39 Ca -0.02 -1.56 -0.21 0.00 0.43 0.00 0.00 52.55 51.19 1wfi s ASP 39 Cb -0.20 -1.90 0.04 0.00 -0.30 0.00 0.00 42.92 40.56 1wfi s ASP 39 CO -0.04 -0.48 0.70 -0.63 -0.17 0.00 0.00 175.17 174.54 1wfi s ILE 40 N 1.34 4.76 0.09 4.11 1.01 -1.26 -0.84 121.20 130.40 1wfi s ILE 40 Ca 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.57 1wfi s ILE 40 Cb -0.22 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 1wfi s ILE 40 CO 0.00 -0.80 0.20 -1.58 0.00 0.00 0.00 174.94 172.76 1wfi s GLN 41 N 2.97 3.30 0.29 2.79 0.74 0.46 -4.88 119.66 125.33 1wfi s GLN 41 Ca 0.21 -0.55 -0.03 0.00 0.05 0.00 0.00 55.36 55.04 1wfi s GLN 41 Cb -0.16 -2.94 0.59 0.00 1.10 0.00 0.00 33.01 31.60 1wfi s GLN 41 CO 0.16 0.57 1.58 -0.09 -0.55 0.00 0.00 175.29 176.96 1wfi h ARG 42 N 2.86 0.01 -0.63 1.67 9.65 -1.96 -2.06 114.38 123.93 1wfi h ARG 42 Ca -0.46 -0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.07 1wfi h ARG 42 Cb 1.17 -0.00 -0.41 0.00 -1.39 0.00 0.00 29.97 29.34 1wfi h ARG 42 CO 0.72 0.01 -1.04 -2.13 2.80 0.00 0.00 179.97 180.33 1wfi n ARG 43 N -5.52 2.18 -3.60 0.20 0.63 -1.26 1.00 116.66 110.29 1wfi n ARG 43 Ca 0.19 -3.68 -0.15 0.00 -0.92 0.00 0.00 57.85 53.29 1wfi n ARG 43 Cb 0.62 -1.75 -0.07 0.00 0.45 0.00 0.00 32.46 31.71 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 -3.66 -0.72 -0.12 -0.14 2.46 -0.78 -0.35 115.29 111.98 1wfi s HIS 44 Ca 0.34 1.61 -0.01 0.00 0.47 0.00 0.00 55.06 57.47 1wfi s HIS 44 Cb 0.36 0.32 0.03 0.00 -0.13 0.00 0.00 32.58 33.17 1wfi s HIS 44 CO -0.02 -0.44 -0.03 -1.17 -2.47 0.00 0.00 174.74 170.61 1wfi s LEU 45 N -0.13 1.10 -0.26 8.88 2.96 -1.10 0.17 118.68 130.31 1wfi s LEU 45 Ca -0.03 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1wfi s LEU 45 Cb -0.03 -0.71 0.06 0.00 0.50 0.00 0.00 46.19 46.01 1wfi s LEU 45 CO 0.03 -0.18 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.19 1wfi s ARG 46 N 1.79 2.07 0.15 1.98 3.52 -0.02 -2.61 118.95 125.83 1wfi s ARG 46 Ca 0.03 -1.33 0.10 0.00 -0.13 0.00 0.00 55.73 54.40 1wfi s ARG 46 Cb -0.14 -2.86 -0.04 0.00 -1.56 0.00 0.00 34.95 30.35 1wfi s ARG 46 CO -0.07 -0.61 -0.23 0.08 -0.81 0.00 0.00 175.30 173.66 1wfi s VAL 47 N 1.13 2.06 0.00 7.11 1.01 -0.30 0.10 120.40 131.52 1wfi s VAL 47 Ca -0.07 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.10 1wfi s VAL 47 Cb -0.20 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1wfi s VAL 47 CO -0.06 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1wfi n GLY 48 N 0.66 2.77 3.74 4.51 0.00 -0.45 0.59 105.19 117.01 1wfi n GLY 48 Ca -0.16 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 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 4.54 0.12 0.99 1.43 -1.26 0.15 118.68 124.66 1wfi s LEU 49 Ca 0.00 1.76 -0.34 0.00 -1.03 0.00 0.00 54.13 54.52 1wfi s LEU 49 Cb 0.00 -3.50 -0.17 0.00 0.03 0.00 0.00 46.19 42.55 1wfi s LEU 49 CO 0.00 0.04 1.00 1.17 0.23 0.00 0.00 176.35 178.79 1wfi n LYS 50 N 2.31 0.56 0.00 1.70 4.81 0.13 0.23 118.16 127.91 1wfi n LYS 50 Ca -0.01 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1wfi n LYS 50 Cb 0.49 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.94 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 1.87 1.42 3.77 3.14 0.00 -1.26 -4.95 105.19 109.18 1wfi n GLY 51 Ca 0.17 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 0.95 0.60 1.61 -1.52 0.14 -5.03 119.66 116.40 1wfi s GLN 52 Ca 0.00 0.28 -0.15 0.00 -1.95 0.00 0.00 55.36 53.54 1wfi s GLN 52 Cb 0.00 -1.82 -0.04 0.00 -0.22 0.00 0.00 33.01 30.94 1wfi s GLN 52 CO 0.00 -2.33 1.05 -1.25 -0.25 0.00 0.00 175.29 172.51 1wfi s PRO 53 N -5.26 3.34 -0.30 2.91 0.04 -1.26 -4.51 135.00 129.96 1wfi s PRO 53 Ca 0.64 1.14 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1wfi s PRO 53 Cb -0.15 -2.04 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 1wfi s PRO 53 CO 0.54 -0.79 1.35 -1.25 0.04 0.00 0.00 177.00 176.90 1wfi s PRO 54 N -4.20 3.86 0.00 0.56 0.04 -1.26 -4.10 135.00 129.90 1wfi s PRO 54 Ca 0.62 1.26 0.21 0.00 0.04 0.00 0.00 61.00 63.14 1wfi s PRO 54 Cb -0.15 -3.92 1.22 0.00 0.04 0.00 0.00 34.50 31.70 1wfi s PRO 54 CO 0.39 -1.20 1.67 1.55 0.04 0.00 0.00 177.00 179.45 1wfi n VAL 55 N 6.34 0.11 -3.72 -0.36 3.14 0.20 -4.57 118.33 119.47 1wfi n VAL 55 Ca 0.15 0.03 -0.13 0.00 -2.96 0.00 0.00 64.34 61.43 1wfi n VAL 55 Cb 0.47 -0.69 -0.13 0.00 -1.06 0.00 0.00 33.84 32.43 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 -2.17 -0.08 -0.29 1.55 1.01 -0.69 -4.77 120.40 114.96 1wfi s VAL 56 Ca 0.29 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.28 1wfi s VAL 56 Cb 0.15 -0.36 0.15 0.00 0.00 0.00 0.00 36.38 36.32 1wfi s VAL 56 CO 0.27 0.07 0.99 -0.62 0.00 0.00 0.00 175.10 175.81 1wfi s ASP 57 N 1.37 -0.50 0.00 3.32 2.15 -1.07 -1.15 116.67 120.79 1wfi s ASP 57 Ca -0.08 0.78 0.00 0.00 0.43 0.00 0.00 52.55 53.68 1wfi s ASP 57 Cb -0.11 1.29 0.00 0.00 -0.30 0.00 0.00 42.92 43.80 1wfi s ASP 57 CO -0.08 -0.12 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 1wfi n GLY 58 N 3.92 3.52 3.64 2.66 0.00 -1.23 -2.36 105.19 115.34 1wfi n GLY 58 Ca -0.17 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.15 3.95 1.07 1.61 2.12 -1.26 -2.69 118.70 121.34 1wfi s GLU 59 Ca 0.00 1.60 -0.18 0.00 0.36 0.00 0.00 54.97 56.75 1wfi s GLU 59 Cb 0.00 -3.94 0.06 0.00 0.26 0.00 0.00 34.13 30.51 1wfi s GLU 59 CO 0.00 -1.10 -0.01 1.28 -0.54 0.00 0.00 175.26 174.89 1wfi n LEU 60 N 7.76 -1.94 -0.11 2.70 4.77 0.53 0.05 117.00 130.76 1wfi n LEU 60 Ca 0.17 0.01 0.01 0.00 -0.03 0.00 0.00 56.01 56.16 1wfi n LEU 60 Cb 0.45 -0.99 0.29 0.00 -2.33 0.00 0.00 43.42 40.85 1wfi n LEU 60 CO 0.62 -3.28 1.13 0.22 -1.33 0.00 0.00 177.39 174.76 1wfi h TYR 61 N -1.85 0.75 -2.56 -1.77 5.03 -1.77 -3.39 116.97 111.41 1wfi h TYR 61 Ca -0.50 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 60.94 1wfi h TYR 61 Cb 1.34 -0.25 -0.06 0.00 1.55 0.00 0.00 36.73 39.31 1wfi h TYR 61 CO 0.21 0.53 0.41 1.21 -1.32 0.00 0.00 178.16 179.20 1wfi s ASN 62 N -6.54 -0.17 0.32 -2.11 2.47 -1.26 -5.00 114.94 102.65 1wfi s ASN 62 Ca -0.10 -0.52 -0.28 0.00 0.42 0.00 0.00 52.86 52.38 1wfi s ASN 62 Cb 0.17 0.57 -0.13 0.00 -1.45 0.00 0.00 41.25 40.42 1wfi s ASN 62 CO 0.77 -1.07 1.26 -0.62 -3.72 0.00 0.00 177.10 173.72 1wfi n GLU 63 N -0.49 2.01 -4.15 0.43 1.02 -1.26 -4.57 120.64 113.64 1wfi n GLU 63 Ca -0.05 0.71 -0.17 0.00 -0.02 0.00 0.00 57.16 57.62 1wfi n GLU 63 Cb 0.60 -2.27 -0.15 0.00 -0.02 0.00 0.00 31.44 29.60 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 -0.97 0.44 -0.76 2.62 -7.23 0.28 -3.15 120.40 111.63 1wfi s VAL 64 Ca 0.57 -0.16 -0.26 0.00 -1.81 0.00 0.00 61.98 60.32 1wfi s VAL 64 Cb -0.60 -0.42 -0.13 0.00 0.56 0.00 0.00 36.38 35.80 1wfi s VAL 64 CO 0.60 0.16 2.40 -0.75 -0.31 0.00 0.00 175.10 177.20 1wfi s LYS 65 N 0.33 1.67 0.27 4.82 2.20 0.50 -4.45 119.74 125.09 1wfi s LYS 65 Ca -0.04 0.57 0.08 0.00 -0.36 0.00 0.00 55.97 56.23 1wfi s LYS 65 Cb -0.08 -4.77 0.36 0.00 -1.51 0.00 0.00 37.83 31.84 1wfi s LYS 65 CO -0.00 -4.30 1.62 -0.39 -0.36 0.00 0.00 175.35 171.92 1wfi h VAL 66 N 7.68 1.40 -0.03 4.02 -1.51 -1.90 -1.61 116.25 124.31 1wfi h VAL 66 Ca -0.02 -1.96 0.01 0.00 -1.23 0.00 0.00 66.70 63.49 1wfi h VAL 66 Cb 1.03 2.03 -0.00 0.00 -2.13 0.00 0.00 31.29 32.22 1wfi h VAL 66 CO 1.03 0.57 0.04 -0.33 -1.23 0.00 0.00 177.57 177.65 1wfi h GLU 67 N 0.07 0.00 -0.00 5.19 5.08 -1.93 0.78 114.58 123.77 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 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1wfi h GLU 67 CO 0.08 0.00 -0.69 0.39 -1.00 0.00 0.00 179.01 177.79 1wfi n GLU 68 N -3.61 2.03 -2.33 2.33 -0.58 -0.98 -4.97 120.64 112.52 1wfi n GLU 68 Ca -0.02 -0.03 -0.41 0.00 -0.42 0.00 0.00 57.16 56.28 1wfi n GLU 68 Cb 0.13 -1.21 -0.03 0.00 -0.57 0.00 0.00 31.44 29.75 1wfi n GLU 68 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1wfi s SER 69 N -2.40 7.05 -0.01 1.62 0.01 0.27 -4.89 113.70 115.35 1wfi s SER 69 Ca 0.06 2.36 0.00 0.00 1.31 0.00 0.00 55.95 59.68 1wfi s SER 69 Cb 0.11 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.74 1wfi s SER 69 CO 0.61 -0.36 0.02 -0.94 0.41 0.00 0.00 173.24 172.98 1wfi s SER 70 N -0.25 0.09 0.29 2.44 1.04 -0.77 -4.96 113.70 111.58 1wfi s SER 70 Ca 0.50 0.02 0.11 0.00 0.48 0.00 0.00 55.95 57.07 1wfi s SER 70 Cb -0.34 -0.06 -0.05 0.00 0.10 0.00 0.00 66.02 65.66 1wfi s SER 70 CO 0.41 -0.09 -0.16 -1.66 0.98 0.00 0.00 173.24 172.73 1wfi s TRP 71 N 0.75 2.36 0.21 5.02 1.48 -1.26 -0.65 118.94 126.84 1wfi s TRP 71 Ca -0.06 -0.34 -0.23 0.00 -1.06 0.00 0.00 56.10 54.41 1wfi s TRP 71 Cb -0.09 -1.07 0.05 0.00 -1.16 0.00 0.00 33.47 31.19 1wfi s TRP 71 CO -0.02 0.69 0.78 -0.48 -4.06 0.00 0.00 176.95 173.86 1wfi s LEU 72 N -3.55 -0.29 -0.34 -4.66 0.05 0.24 -4.97 118.68 105.16 1wfi s LEU 72 Ca 0.31 -0.42 -0.07 0.00 0.05 0.00 0.00 54.13 53.99 1wfi s LEU 72 Cb -0.04 2.50 0.03 0.00 -2.05 0.00 0.00 46.19 46.63 1wfi s LEU 72 CO 0.16 -1.11 0.12 -0.63 -0.55 0.00 0.00 176.35 174.34 1wfi s ILE 73 N -3.65 3.97 0.32 1.48 1.01 -1.26 0.19 121.20 123.25 1wfi s ILE 73 Ca 0.09 -1.03 -0.27 0.00 0.00 0.00 0.00 60.65 59.44 1wfi s ILE 73 Cb -0.04 -3.22 -0.10 0.00 0.01 0.00 0.00 42.46 39.12 1wfi s ILE 73 CO 0.02 -0.17 0.98 -1.61 0.00 0.00 0.00 174.94 174.16 1wfi s GLU 74 N 1.44 4.56 -0.04 2.79 0.41 0.21 -3.35 118.70 124.72 1wfi s GLU 74 Ca -0.01 1.45 0.00 0.00 -0.41 0.00 0.00 54.97 56.01 1wfi s GLU 74 Cb -0.19 -2.88 0.00 0.00 -1.78 0.00 0.00 34.13 29.28 1wfi s GLU 74 CO 0.04 0.23 0.00 -0.25 -0.49 0.00 0.00 175.26 174.79 1wfi n ASP 75 N 0.68 -1.02 -4.05 -0.19 9.92 -1.26 -0.47 116.55 120.15 1wfi n ASP 75 Ca 0.01 0.45 -0.29 0.00 -0.53 0.00 0.00 54.79 54.44 1wfi n ASP 75 Cb 0.49 -1.04 -0.07 0.00 -0.64 0.00 0.00 41.12 39.86 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 -0.47 -0.20 1.16 0.44 0.00 -1.21 -4.66 105.19 100.24 1wfi n GLY 76 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.13 0.00 -4.39 1.61 2.85 0.38 -3.07 118.16 111.41 1wfi n LYS 77 Ca -0.25 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.71 1wfi n LYS 77 Cb 0.58 -0.17 -0.11 0.00 -0.65 0.00 0.00 35.03 34.67 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 -1.58 3.07 -0.28 0.58 -7.23 -1.07 -1.17 120.40 112.72 1wfi s VAL 78 Ca 0.00 -1.27 -0.12 0.00 -1.81 0.00 0.00 61.98 58.78 1wfi s VAL 78 Cb 0.00 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 1wfi s VAL 78 CO 0.00 0.20 0.22 -0.69 -0.31 0.00 0.00 175.10 174.51 1wfi s VAL 79 N -1.09 5.29 -0.13 1.32 1.01 0.67 -0.62 120.40 126.86 1wfi s VAL 79 Ca 0.18 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.33 1wfi s VAL 79 Cb -0.11 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1wfi s VAL 79 CO 0.10 0.23 0.06 0.42 0.00 0.00 0.00 175.10 175.91 1wfi s THR 80 N 1.80 4.83 -0.11 3.92 -4.23 0.50 0.22 115.64 122.58 1wfi s THR 80 Ca 0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 1wfi s THR 80 Cb -0.16 -3.10 0.02 0.00 1.34 0.00 0.00 72.50 70.60 1wfi s THR 80 CO 0.11 0.57 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.96 1wfi s VAL 81 N -0.54 1.16 -0.35 2.29 1.01 0.64 0.81 120.40 125.41 1wfi s VAL 81 Ca 0.11 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1wfi s VAL 81 Cb -0.12 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1wfi s VAL 81 CO 0.02 0.38 0.19 -2.28 0.00 0.00 0.00 175.10 173.41 1wfi s HIS 82 N 1.38 3.22 0.19 5.22 5.04 0.17 0.36 115.29 130.88 1wfi s HIS 82 Ca -0.00 -0.80 0.03 0.00 -1.54 0.00 0.00 55.06 52.75 1wfi s HIS 82 Cb -0.13 -2.41 -0.03 0.00 0.04 0.00 0.00 32.58 30.04 1wfi s HIS 82 CO -0.05 -0.57 0.33 -0.51 -2.34 0.00 0.00 174.74 171.59 1wfi s LEU 83 N 1.58 4.31 -0.17 8.88 1.43 0.44 -1.85 118.68 133.30 1wfi s LEU 83 Ca 0.03 0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.28 1wfi s LEU 83 Cb -0.18 -2.94 0.05 0.00 0.03 0.00 0.00 46.19 43.15 1wfi s LEU 83 CO 0.07 -0.01 0.01 -1.61 0.23 0.00 0.00 176.35 175.03 1wfi s GLU 84 N -3.52 0.84 0.79 1.70 2.02 -1.26 -0.11 118.70 119.16 1wfi s GLU 84 Ca 0.35 -0.37 -0.13 0.00 0.02 0.00 0.00 54.97 54.84 1wfi s GLU 84 Cb -0.10 -1.90 0.07 0.00 0.10 0.00 0.00 34.13 32.30 1wfi s GLU 84 CO 0.29 -0.54 1.19 0.15 0.02 0.00 0.00 175.26 176.37 1wfi s LYS 85 N 1.81 1.77 0.08 1.61 1.02 -1.04 0.19 119.74 125.19 1wfi s LYS 85 Ca 0.00 1.68 0.01 0.00 0.02 0.00 0.00 55.97 57.69 1wfi s LYS 85 Cb -0.16 -1.80 -0.25 0.00 -0.52 0.00 0.00 37.83 35.10 1wfi s LYS 85 CO -0.07 -2.09 1.16 0.82 -0.92 0.00 0.00 175.35 174.25 1wfi h ILE 86 N -0.84 1.55 0.05 2.17 1.08 -1.88 -3.36 117.51 116.29 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 1.29 2.87 -0.04 0.00 -3.07 0.00 0.00 36.82 37.87 1wfi h ILE 86 CO 0.47 0.91 -2.06 -0.46 -0.69 0.00 0.00 178.15 176.32 1wfi n ASN 87 N -3.43 2.02 -3.03 1.72 0.23 -1.26 -5.00 115.26 106.50 1wfi n ASN 87 Ca -0.06 0.17 -0.17 0.00 -0.53 0.00 0.00 54.58 53.99 1wfi n ASN 87 Cb 0.99 -0.76 0.07 0.00 -2.08 0.00 0.00 39.78 38.00 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 -3.70 -6.11 -1.14 -3.83 5.02 -1.26 -4.88 118.16 102.26 1wfi n LYS 88 Ca -0.39 0.69 -0.04 0.00 -2.02 0.00 0.00 58.31 56.55 1wfi n LYS 88 Cb 0.94 -5.28 -0.02 0.00 -0.02 0.00 0.00 35.03 30.65 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 0.18 -4.55 1.97 0.00 -1.14 -4.37 117.12 105.27 1wfi n MET 89 Ca -0.09 -0.76 -0.22 0.00 0.00 0.00 0.00 57.70 56.63 1wfi n MET 89 Cb 0.59 0.47 -0.14 0.00 0.00 0.00 0.00 33.22 34.13 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 0.02 1.09 -0.19 3.17 2.56 -1.26 -5.07 118.70 119.01 1wfi s GLU 90 Ca 0.01 -0.63 -0.17 0.00 0.00 0.00 0.00 54.97 54.19 1wfi s GLU 90 Cb 0.06 -1.08 -0.04 0.00 2.00 0.00 0.00 34.13 35.07 1wfi s GLU 90 CO -0.02 0.29 0.43 -0.46 -0.56 0.00 0.00 175.26 174.93 1wfi s TRP 91 N -0.55 3.39 0.25 5.30 -0.11 -1.26 -4.54 118.94 121.41 1wfi s TRP 91 Ca 0.04 0.67 -0.07 0.00 1.22 0.00 0.00 56.10 57.96 1wfi s TRP 91 Cb -0.07 -2.55 -0.06 0.00 -1.50 0.00 0.00 33.47 29.29 1wfi s TRP 91 CO 0.00 -0.01 0.53 -1.58 -4.62 0.00 0.00 176.95 171.28 1wfi s TRP 92 N 1.29 3.45 0.00 5.86 0.52 -1.26 -4.98 118.94 123.82 1wfi s TRP 92 Ca 0.21 0.74 0.00 0.00 0.02 0.00 0.00 56.10 57.07 1wfi s TRP 92 Cb -0.15 -2.17 0.00 0.00 -1.15 0.00 0.00 33.47 30.01 1wfi s TRP 92 CO 0.08 0.24 0.69 0.09 0.02 0.00 0.00 176.95 178.07 1wfi n ASN 93 N -0.46 1.34 -3.64 2.95 4.13 -1.26 -5.01 115.26 113.30 1wfi n ASN 93 Ca -0.01 -1.42 -0.03 0.00 1.68 0.00 0.00 54.58 54.81 1wfi n ASN 93 Cb 0.53 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.70 1wfi n ASN 93 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wfi s ARG 94 N -0.42 0.30 0.15 3.52 1.04 -1.26 -5.05 118.95 117.23 1wfi s ARG 94 Ca 0.00 0.46 -0.21 0.00 -1.04 0.00 0.00 55.73 54.94 1wfi s ARG 94 Cb 0.00 0.09 0.02 0.00 -2.04 0.00 0.00 34.95 33.02 1wfi s ARG 94 CO 0.00 -0.05 1.65 1.25 -0.04 0.00 0.00 175.30 178.11 1wfi h LEU 95 N 5.22 -0.56 -8.50 -1.89 7.12 -1.97 -3.40 115.31 111.33 1wfi h LEU 95 Ca -0.28 0.11 -0.49 0.00 0.13 0.00 0.00 57.88 57.35 1wfi h LEU 95 Cb 1.18 0.28 -0.23 0.00 -0.53 0.00 0.00 40.66 41.37 1wfi h LEU 95 CO 0.19 -0.21 -0.81 0.68 -0.13 0.00 0.00 178.44 178.16 1wfi s VAL 96 N -6.14 1.39 0.14 1.05 -7.23 -1.26 -3.40 120.40 104.96 1wfi s VAL 96 Ca -0.14 -1.31 -0.01 0.00 -1.81 0.00 0.00 61.98 58.70 1wfi s VAL 96 Cb 0.12 -1.28 -0.18 0.00 0.56 0.00 0.00 36.38 35.60 1wfi s VAL 96 CO 0.68 -0.06 1.32 0.71 -0.31 0.00 0.00 175.10 177.44 1wfi h THR 97 N 4.27 1.45 -3.81 5.32 1.35 -0.59 -3.41 112.91 117.49 1wfi h THR 97 Ca -0.42 -2.58 -0.67 0.00 -0.55 0.00 0.00 66.41 62.19 1wfi h THR 97 Cb 1.18 2.48 -0.37 0.00 -1.73 0.00 0.00 68.15 69.71 1wfi h THR 97 CO 0.41 0.76 -0.76 -0.94 -0.25 0.00 0.00 175.52 174.74 1wfi s SER 98 N -7.02 4.60 0.88 5.36 1.04 -1.26 -4.99 113.70 112.32 1wfi s SER 98 Ca -0.04 -1.59 -0.15 0.00 0.48 0.00 0.00 55.95 54.65 1wfi s SER 98 Cb 0.09 -1.59 -0.03 0.00 0.10 0.00 0.00 66.02 64.59 1wfi s SER 98 CO 0.85 -0.25 0.15 -0.90 0.98 0.00 0.00 173.24 174.07 1wfi n ASP 99 N 4.41 -2.79 0.00 7.02 5.75 -1.26 -4.15 116.55 125.53 1wfi n ASP 99 Ca -0.09 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 1wfi n ASP 99 Cb 0.42 -1.10 0.00 0.00 -1.03 0.00 0.00 41.12 39.41 1wfi n ASP 99 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1wfi n PRO 100 N -0.41 0.00 0.00 0.11 -0.04 -0.99 -4.80 135.00 128.87 1wfi n PRO 100 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1wfi n PRO 100 Cb 0.53 -0.42 0.00 0.00 -0.04 0.00 0.00 33.50 33.57 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 -0.30 0.00 -2.24 0.54 1.02 -1.26 -5.03 120.64 113.37 1wfi n GLU 101 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1wfi n GLU 101 Cb 0.00 0.00 0.04 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 -0.00 3.48 0.24 -3.67 1.01 -1.26 -4.94 121.20 116.05 1wfi s ILE 102 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1wfi s ILE 102 Cb 0.00 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1wfi s ILE 102 CO 0.00 -0.47 0.00 -3.20 0.00 0.00 0.00 174.94 171.27 1wfi n ASN 103 N -2.73 -2.11 -0.53 3.58 2.85 -1.26 -4.90 115.26 110.16 1wfi n ASN 103 Ca 0.05 0.68 0.05 0.00 -0.11 0.00 0.00 54.58 55.26 1wfi n ASN 103 Cb 0.58 2.20 -0.01 0.00 1.24 0.00 0.00 39.78 43.78 1wfi n ASN 103 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1wfi n THR 104 N -3.18 0.00 -3.59 -0.44 5.66 -1.26 -4.55 114.28 106.91 1wfi n THR 104 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1wfi n THR 104 Cb 0.00 -0.14 -0.08 0.00 -1.55 0.00 0.00 70.33 68.57 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 -1.03 4.22 0.46 1.09 -2.85 -1.26 -4.16 119.74 116.22 1wfi s LYS 105 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.95 1wfi s LYS 105 Cb 0.00 -3.44 0.00 0.00 -2.06 0.00 0.00 37.83 32.33 1wfi s LYS 105 CO 0.00 0.22 0.00 1.17 0.10 0.00 0.00 175.35 176.84 1wfi n LYS 106 N 3.68 -4.46 0.02 1.78 3.00 -1.15 -5.02 118.16 116.00 1wfi n LYS 106 Ca -0.13 3.30 0.00 0.00 -0.00 0.00 0.00 58.31 61.48 1wfi n LYS 106 Cb 0.52 -3.69 0.00 0.00 0.00 0.00 0.00 35.03 31.86 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 -0.56 0.23 -3.76 3.15 2.08 -1.26 -4.95 119.36 114.29 1wfi n ILE 107 Ca 0.00 0.08 -0.13 0.00 0.56 0.00 0.00 62.75 63.26 1wfi n ILE 107 Cb 0.00 -0.88 -0.11 0.00 -0.75 0.00 0.00 39.64 37.90 1wfi n ILE 107 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1wfi s ASN 108 N -4.99 -0.33 -0.08 4.38 3.84 -1.26 -5.07 114.94 111.43 1wfi s ASN 108 Ca 0.00 0.63 -0.26 0.00 0.21 0.00 0.00 52.86 53.44 1wfi s ASN 108 Cb 0.00 0.64 -0.22 0.00 -0.55 0.00 0.00 41.25 41.12 1wfi s ASN 108 CO 0.00 -0.12 0.98 1.55 -2.79 0.00 0.00 177.10 176.72 1wfi h PRO 109 N 5.61 -0.02 -7.07 0.43 0.13 -2.04 -3.47 132.00 125.58 1wfi h PRO 109 Ca -0.26 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.26 1wfi h PRO 109 Cb 1.19 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.98 1wfi h PRO 109 CO 0.31 0.69 -0.89 -1.91 -0.23 0.00 0.00 178.00 175.97 1wfi n GLU 110 N -4.75 -0.77 -3.61 0.86 2.13 -1.26 -4.85 120.64 108.39 1wfi n GLU 110 Ca -0.09 0.12 -0.28 0.00 0.66 0.00 0.00 57.16 57.57 1wfi n GLU 110 Cb 0.35 -4.33 -0.12 0.00 0.27 0.00 0.00 31.44 27.62 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 -3.43 3.03 -0.43 4.31 3.84 -1.26 -4.96 114.94 116.03 1wfi s ASN 111 Ca 0.64 -3.04 0.08 0.00 0.21 0.00 0.00 52.86 50.75 1wfi s ASN 111 Cb -0.37 -0.89 0.27 0.00 -0.55 0.00 0.00 41.25 39.71 1wfi s ASN 111 CO 0.99 -0.19 0.75 -1.20 -2.79 0.00 0.00 177.10 174.66 1wfi n SER 112 N 2.96 -1.10 -3.52 -4.21 7.64 -1.26 -5.11 113.62 109.02 1wfi n SER 112 Ca 0.19 -3.08 -0.17 0.00 1.01 0.00 0.00 58.87 56.83 1wfi n SER 112 Cb 0.40 0.53 -0.06 0.00 -1.01 0.00 0.00 64.21 64.07 1wfi n SER 112 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1wfi s LYS 113 N -0.54 1.01 -0.23 1.43 -2.85 -1.26 -5.03 119.74 112.27 1wfi s LYS 113 Ca 0.33 0.24 0.13 0.00 -1.00 0.00 0.00 55.97 55.67 1wfi s LYS 113 Cb 0.23 0.48 0.51 0.00 -2.06 0.00 0.00 37.83 36.99 1wfi s LYS 113 CO -0.15 -0.32 1.43 1.28 0.10 0.00 0.00 175.35 177.70 1wfi n LEU 114 N 0.87 3.94 -4.02 2.77 4.77 -1.26 -4.81 117.00 119.26 1wfi n LEU 114 Ca -0.18 -3.34 -0.33 0.00 -0.03 0.00 0.00 56.01 52.13 1wfi n LEU 114 Cb 0.57 -0.58 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1wfi n LEU 114 CO 0.23 0.92 0.11 -0.94 -1.33 0.00 0.00 177.39 176.38 1wfi s SER 115 N -2.22 5.30 -0.63 -1.43 1.04 -1.26 -4.98 113.70 109.52 1wfi s SER 115 Ca 0.43 -3.57 0.03 0.00 0.48 0.00 0.00 55.95 53.32 1wfi s SER 115 Cb 0.37 -1.78 0.16 0.00 0.10 0.00 0.00 66.02 64.86 1wfi s SER 115 CO 0.05 -0.18 0.41 -1.81 0.98 0.00 0.00 173.24 172.69 1wfi s ASP 116 N -0.50 4.74 -0.05 7.02 1.11 -1.26 -5.07 116.67 122.65 1wfi s ASP 116 Ca 0.24 -3.39 0.00 0.00 0.18 0.00 0.00 52.55 49.59 1wfi s ASP 116 Cb -0.10 -1.68 -0.03 0.00 1.07 0.00 0.00 42.92 42.17 1wfi s ASP 116 CO -0.11 -0.18 -0.02 -1.48 1.18 0.00 0.00 175.17 174.55 1wfi s LEU 117 N -0.81 3.42 -0.07 1.23 2.34 -1.26 -5.11 118.68 118.42 1wfi s LEU 117 Ca 0.21 0.04 0.00 0.00 0.06 0.00 0.00 54.13 54.44 1wfi s LEU 117 Cb -0.16 -1.84 0.02 0.00 -0.56 0.00 0.00 46.19 43.66 1wfi s LEU 117 CO -0.08 0.34 -0.06 1.51 -1.06 0.00 0.00 176.35 177.00 1wfi s ASP 118 N -1.09 1.56 -0.25 1.48 1.47 -1.26 -5.11 116.67 113.48 1wfi s ASP 118 Ca 0.15 -0.20 -0.02 0.00 1.18 0.00 0.00 52.55 53.66 1wfi s ASP 118 Cb -0.11 -0.63 0.14 0.00 -0.34 0.00 0.00 42.92 41.98 1wfi s ASP 118 CO 0.05 -0.08 0.40 -0.94 0.68 0.00 0.00 175.17 175.27 1wfi s SER 119 N 1.26 0.11 -0.30 2.11 1.04 -1.26 -5.13 113.70 111.54 1wfi s SER 119 Ca -0.05 0.26 -0.17 0.00 0.48 0.00 0.00 55.95 56.47 1wfi s SER 119 Cb -0.14 1.21 0.19 0.00 0.10 0.00 0.00 66.02 67.38 1wfi s SER 119 CO -0.02 -0.30 1.18 -1.61 0.98 0.00 0.00 173.24 173.47 1wfi s GLU 120 N 2.57 0.13 0.13 4.02 2.02 -1.26 -5.18 118.70 121.13 1wfi s GLU 120 Ca 0.13 0.26 -0.24 0.00 0.02 0.00 0.00 54.97 55.14 1wfi s GLU 120 Cb -0.15 0.07 0.07 0.00 0.10 0.00 0.00 34.13 34.22 1wfi s GLU 120 CO -0.17 -0.03 0.63 0.99 0.02 0.00 0.00 175.26 176.70 1wfi s THR 121 N 1.44 0.00 0.35 3.63 2.01 -1.26 -5.19 115.64 116.62 1wfi s THR 121 Ca -0.06 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.91 1wfi s THR 121 Cb -0.03 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.49 1wfi s THR 121 CO -0.13 0.00 0.48 -0.13 -0.69 0.00 0.00 174.62 174.16 1wfi s ARG 122 N -3.49 1.92 0.02 4.92 0.52 -1.26 -5.19 118.95 116.41 1wfi s ARG 122 Ca 0.00 -1.75 -0.29 0.00 -0.52 0.00 0.00 55.73 53.18 1wfi s ARG 122 Cb -0.01 0.45 0.10 0.00 0.52 0.00 0.00 34.95 36.01 1wfi s ARG 122 CO -0.11 -0.80 1.08 0.45 0.02 0.00 0.00 175.30 175.94 1wfi s SER 123 N -3.23 -0.17 0.13 0.23 0.15 -1.26 -5.18 113.70 104.36 1wfi s SER 123 Ca 0.30 -0.19 0.08 0.00 0.70 0.00 0.00 55.95 56.84 1wfi s SER 123 Cb -0.01 0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1wfi s SER 123 CO 0.20 -0.58 -0.19 -0.32 1.20 0.00 0.00 173.24 173.56 1wfi s MET 124 N -2.88 1.15 -0.24 5.44 1.75 -1.26 -5.13 119.30 118.13 1wfi s MET 124 Ca 0.11 -1.26 -0.03 0.00 -1.25 0.00 0.00 55.69 53.26 1wfi s MET 124 Cb 0.01 -1.28 0.13 0.00 2.84 0.00 0.00 34.83 36.53 1wfi s MET 124 CO -0.03 0.28 0.42 0.54 -0.65 0.00 0.00 175.02 175.57 1wfi s VAL 125 N -1.63 -0.67 0.00 10.11 0.11 -1.26 -5.12 120.40 121.94 1wfi s VAL 125 Ca 0.10 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1wfi s VAL 125 Cb -0.08 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 1wfi s VAL 125 CO 0.05 -0.07 0.00 -1.54 -3.33 0.00 0.00 175.10 170.21 1wfi n SER 126 N 5.38 -0.20 0.00 3.54 3.41 -1.26 -4.97 113.62 119.52 1wfi n SER 126 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1wfi n SER 126 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1wfi n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfi n GLY 127 N 0.00 2.05 0.74 5.00 0.00 -1.26 -5.17 105.19 106.56 1wfi n GLY 127 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.71 1wfi n GLY 127 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfi n PRO 128 N 0.00 -0.84 -3.36 1.61 -0.04 -1.26 -5.11 135.00 126.00 1wfi n PRO 128 Ca 0.00 -0.38 0.03 0.00 -0.04 0.00 0.00 63.50 63.11 1wfi n PRO 128 Cb 0.00 -0.30 -0.05 0.00 -0.04 0.00 0.00 33.50 33.11 1wfi n PRO 128 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wfi s SER 129 N -2.04 -0.01 0.16 3.54 1.04 -1.26 -5.19 113.70 109.94 1wfi s SER 129 Ca 0.15 0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.52 1wfi s SER 129 Cb -0.01 1.01 -0.01 0.00 0.10 0.00 0.00 66.02 67.11 1wfi s SER 129 CO 0.11 -0.00 0.25 -0.55 0.98 0.00 0.00 173.24 174.02 1wfi s SER 130 N 1.59 0.08 0.00 7.02 0.15 -1.26 -5.38 113.70 115.90 1wfi s SER 130 Ca -0.03 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.70 1wfi s SER 130 Cb -0.01 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1wfi s SER 130 CO -0.13 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.05