#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 3.86 1.00 1.61 0.01 -1.26 -5.12 113.70 113.80 1wfi s SER 2 Ca 0.00 -0.31 -0.12 0.00 1.31 0.00 0.00 55.95 56.83 1wfi s SER 2 Cb 0.00 -0.71 0.19 0.00 0.21 0.00 0.00 66.02 65.71 1wfi s SER 2 CO 0.00 0.31 1.09 -0.94 0.41 0.00 0.00 173.24 174.10 1wfi s SER 3 N -1.01 2.57 0.50 2.44 1.04 -1.26 -5.07 113.70 112.91 1wfi s SER 3 Ca 0.13 1.29 0.05 0.00 0.48 0.00 0.00 55.95 57.90 1wfi s SER 3 Cb -0.11 -1.97 -0.00 0.00 0.10 0.00 0.00 66.02 64.04 1wfi s SER 3 CO 0.02 -3.18 0.23 -0.83 0.98 0.00 0.00 173.24 170.47 1wfi s GLY 4 N -3.33 2.54 0.05 7.32 0.00 -1.26 -5.06 107.32 107.59 1wfi s GLY 4 Ca 0.65 -1.25 -0.28 0.00 0.00 0.00 0.00 44.72 43.84 1wfi s GLY 4 CO 0.58 -2.00 1.17 -0.56 0.00 0.00 0.00 173.10 172.29 1wfi s SER 5 N -4.07 -0.09 -0.30 1.64 0.01 -1.26 -4.97 113.70 104.67 1wfi s SER 5 Ca 0.28 -0.26 -0.01 0.00 1.31 0.00 0.00 55.95 57.27 1wfi s SER 5 Cb 0.00 0.29 0.19 0.00 0.21 0.00 0.00 66.02 66.71 1wfi s SER 5 CO 0.16 -0.53 0.66 -0.44 0.41 0.00 0.00 173.24 173.50 1wfi s SER 6 N -3.03 -1.32 0.00 2.44 0.01 -1.26 -4.02 113.70 106.51 1wfi s SER 6 Ca 0.15 0.64 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1wfi s SER 6 Cb 0.02 2.04 0.00 0.00 0.21 0.00 0.00 66.02 68.29 1wfi s SER 6 CO -0.01 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1wfi n GLY 7 N 5.42 2.42 0.00 3.44 0.00 -1.21 -5.01 105.19 110.25 1wfi n GLY 7 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.81 0.59 -1.37 1.61 -0.04 -1.24 -4.40 135.00 128.33 1wfi n PRO 8 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1wfi n PRO 8 Cb 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 33.56 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 -0.83 6.26 -3.65 3.54 4.13 -1.26 -4.94 115.26 118.51 1wfi n ASN 9 Ca 0.00 -3.75 -0.08 0.00 1.68 0.00 0.00 54.58 52.42 1wfi n ASN 9 Cb 0.00 -0.85 -0.02 0.00 -1.54 0.00 0.00 39.78 37.37 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 -3.66 -0.32 -0.06 3.10 -0.85 -1.26 -4.85 117.35 109.44 1wfi s TYR 10 Ca 0.60 0.01 -0.03 0.00 -0.52 0.00 0.00 57.07 57.13 1wfi s TYR 10 Cb 0.48 0.63 -0.04 0.00 0.38 0.00 0.00 41.96 43.41 1wfi s TYR 10 CO 0.02 -0.97 0.11 -0.98 -1.52 0.00 0.00 175.55 172.21 1wfi s ARG 11 N -3.68 3.25 -0.13 -3.49 1.70 -0.93 -5.01 118.95 110.66 1wfi s ARG 11 Ca 0.07 -0.33 -0.11 0.00 -0.47 0.00 0.00 55.73 54.89 1wfi s ARG 11 Cb -0.03 -3.00 0.04 0.00 -0.57 0.00 0.00 34.95 31.38 1wfi s ARG 11 CO -0.03 0.70 0.33 1.67 -1.08 0.00 0.00 175.30 176.90 1wfi s TRP 12 N -1.12 -0.39 0.25 5.89 1.48 -1.26 -1.04 118.94 122.75 1wfi s TRP 12 Ca 0.20 0.93 0.02 0.00 -1.06 0.00 0.00 56.10 56.18 1wfi s TRP 12 Cb -0.12 0.13 -0.04 0.00 -1.16 0.00 0.00 33.47 32.29 1wfi s TRP 12 CO 0.10 -0.20 0.17 0.95 -4.06 0.00 0.00 176.95 173.91 1wfi s THR 13 N 0.38 0.05 -0.04 0.66 -4.23 0.54 -4.96 115.64 108.05 1wfi s THR 13 Ca -0.02 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.20 1wfi s THR 13 Cb -0.04 -2.51 0.09 0.00 1.34 0.00 0.00 72.50 71.39 1wfi s THR 13 CO -0.02 0.00 0.78 0.00 -0.54 0.00 0.00 174.62 174.84 1wfi s GLN 14 N -3.94 0.94 -0.51 3.99 -2.07 -1.26 0.13 119.66 116.95 1wfi s GLN 14 Ca 0.39 0.04 0.07 0.00 -1.82 0.00 0.00 55.36 54.04 1wfi s GLN 14 Cb 0.06 0.44 0.35 0.00 -1.09 0.00 0.00 33.01 32.77 1wfi s GLN 14 CO 0.17 -0.33 0.91 -2.37 -1.32 0.00 0.00 175.29 172.35 1wfi n THR 15 N 0.50 2.17 -2.42 3.63 5.66 -0.57 -4.89 114.28 118.36 1wfi n THR 15 Ca -0.15 -5.20 -0.01 0.00 -3.05 0.00 0.00 64.05 55.64 1wfi n THR 15 Cb 0.59 -1.04 -0.00 0.00 -1.55 0.00 0.00 70.33 68.33 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 -0.14 -0.12 0.00 1.09 7.99 -1.26 -4.23 117.00 120.33 1wfi n LEU 16 Ca 0.30 0.45 0.00 0.00 -0.01 0.00 0.00 56.01 56.74 1wfi n LEU 16 Cb 0.49 -1.10 0.00 0.00 -0.11 0.00 0.00 43.42 42.70 1wfi n LEU 16 CO 0.31 -0.02 0.00 0.00 -1.51 0.00 0.00 177.39 176.17 1wfi n ALA 17 N -2.39 0.40 -2.86 -1.18 0.00 -1.26 -4.29 120.51 108.94 1wfi n ALA 17 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 1wfi n ALA 17 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 1wfi n ALA 17 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wfi s GLU 18 N -0.28 3.28 -0.12 0.00 2.02 -1.26 -1.75 118.70 120.59 1wfi s GLU 18 Ca 0.00 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.16 1wfi s GLU 18 Cb 0.00 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1wfi s GLU 18 CO 0.00 0.36 -0.23 -0.51 0.02 0.00 0.00 175.26 174.90 1wfi s LEU 19 N -3.98 2.09 -0.16 1.80 1.43 0.46 -1.51 118.68 118.80 1wfi s LEU 19 Ca 0.36 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 1wfi s LEU 19 Cb -0.09 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1wfi s LEU 19 CO 0.28 0.12 0.00 -1.81 0.23 0.00 0.00 176.35 175.18 1wfi s ASP 20 N 0.56 5.16 0.01 2.29 1.11 0.35 0.12 116.67 126.26 1wfi s ASP 20 Ca -0.14 -0.02 0.02 0.00 0.18 0.00 0.00 52.55 52.59 1wfi s ASP 20 Cb -0.17 -1.83 -0.01 0.00 1.07 0.00 0.00 42.92 41.98 1wfi s ASP 20 CO 0.04 0.19 -0.08 -0.22 1.18 0.00 0.00 175.17 176.28 1wfi s LEU 21 N 0.26 2.07 -0.09 1.23 1.98 0.17 0.20 118.68 124.51 1wfi s LEU 21 Ca -0.00 -0.23 -0.04 0.00 -2.89 0.00 0.00 54.13 50.97 1wfi s LEU 21 Cb -0.13 -0.34 0.05 0.00 0.66 0.00 0.00 46.19 46.42 1wfi s LEU 21 CO 0.02 0.03 0.20 0.00 -1.89 0.00 0.00 176.35 174.70 1wfi s ALA 22 N -0.45 -0.38 -0.28 5.97 0.00 -0.20 0.17 121.76 126.59 1wfi s ALA 22 Ca 0.00 0.80 -0.00 0.00 0.00 0.00 0.00 51.96 52.75 1wfi s ALA 22 Cb -0.04 -0.65 0.09 0.00 0.00 0.00 0.00 23.12 22.51 1wfi s ALA 22 CO 0.00 -0.30 0.06 0.08 0.00 0.00 0.00 175.76 175.59 1wfi s VAL 23 N 1.56 1.06 0.59 0.00 1.01 0.22 -2.18 120.40 122.66 1wfi s VAL 23 Ca -0.06 -1.32 -0.16 0.00 0.00 0.00 0.00 61.98 60.44 1wfi s VAL 23 Cb -0.11 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1wfi s VAL 23 CO -0.07 -0.50 1.05 -2.16 0.00 0.00 0.00 175.10 173.42 1wfi s PRO 24 N 1.55 3.37 0.23 2.72 0.04 -1.26 -0.69 135.00 140.96 1wfi s PRO 24 Ca 0.06 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.27 1wfi s PRO 24 Cb -0.18 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1wfi s PRO 24 CO -0.18 -0.76 0.06 -0.06 0.04 0.00 0.00 177.00 176.10 1wfi s PHE 25 N -2.50 1.45 -0.85 0.56 0.08 -0.85 -4.90 117.98 110.95 1wfi s PHE 25 Ca 0.63 -1.10 -0.15 0.00 0.12 0.00 0.00 56.93 56.42 1wfi s PHE 25 Cb -0.15 -0.84 0.20 0.00 -0.57 0.00 0.00 43.02 41.66 1wfi s PHE 25 CO 0.37 -0.26 0.84 1.03 -0.10 0.00 0.00 175.22 177.10 1wfi s ARG 26 N -3.98 3.62 0.27 0.44 1.81 -1.26 -4.84 118.95 115.00 1wfi s ARG 26 Ca 0.33 -2.35 0.02 0.00 -1.72 0.00 0.00 55.73 52.00 1wfi s ARG 26 Cb 0.07 -4.52 -0.05 0.00 -0.45 0.00 0.00 34.95 30.00 1wfi s ARG 26 CO 0.10 -1.38 0.08 0.14 -0.68 0.00 0.00 175.30 173.57 1wfi s VAL 27 N 0.59 0.71 0.00 3.52 -7.23 -1.26 -5.05 120.40 111.68 1wfi s VAL 27 Ca 0.21 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 1wfi s VAL 27 Cb -0.09 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.21 1wfi s VAL 27 CO -0.09 -0.04 0.81 -0.24 -0.31 0.00 0.00 175.10 175.24 1wfi n SER 28 N -0.50 1.57 -3.80 4.85 2.88 -1.26 -5.05 113.62 112.31 1wfi n SER 28 Ca -0.01 -1.65 -0.16 0.00 -1.33 0.00 0.00 58.87 55.72 1wfi n SER 28 Cb 0.66 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.65 1.45 -0.74 0.66 -0.12 -1.26 -5.10 117.98 112.22 1wfi s PHE 29 Ca 0.00 -1.51 -0.26 0.00 -0.05 0.00 0.00 56.93 55.10 1wfi s PHE 29 Cb 0.00 -0.64 0.03 0.00 -0.63 0.00 0.00 43.02 41.78 1wfi s PHE 29 CO 0.00 -0.75 1.26 1.03 -0.05 0.00 0.00 175.22 176.71 1wfi s ARG 30 N -3.82 3.19 0.31 1.99 3.00 -1.25 -4.61 118.95 117.77 1wfi s ARG 30 Ca 0.40 -0.32 -0.28 0.00 0.00 0.00 0.00 55.73 55.54 1wfi s ARG 30 Cb 0.05 -4.21 -0.13 0.00 0.00 0.00 0.00 34.95 30.65 1wfi s ARG 30 CO 0.19 -2.12 1.06 1.28 0.00 0.00 0.00 175.30 175.72 1wfi n LEU 31 N 9.21 2.22 -4.97 2.53 4.77 -0.69 -4.95 117.00 125.14 1wfi n LEU 31 Ca 0.03 1.17 -0.23 0.00 -0.03 0.00 0.00 56.01 56.95 1wfi n LEU 31 Cb 0.49 -1.33 0.06 0.00 -2.33 0.00 0.00 43.42 40.30 1wfi n LEU 31 CO 0.70 -1.23 0.47 -0.54 -1.33 0.00 0.00 177.39 175.46 1wfi s LYS 32 N -1.67 2.26 -0.19 3.23 -0.14 -1.26 -4.77 119.74 117.19 1wfi s LYS 32 Ca 0.58 -0.73 0.02 0.00 -1.36 0.00 0.00 55.97 54.49 1wfi s LYS 32 Cb -0.66 -2.38 0.31 0.00 -1.68 0.00 0.00 37.83 33.43 1wfi s LYS 32 CO 0.60 -1.01 1.38 0.41 -0.76 0.00 0.00 175.35 175.97 1wfi n GLY 33 N -2.59 3.02 0.48 -3.33 0.00 -1.26 -3.77 105.19 97.75 1wfi n GLY 33 Ca 0.10 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.19 0.00 0.05 1.61 2.85 -1.26 -4.72 118.16 116.50 1wfi n LYS 34 Ca 0.26 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.57 1wfi n LYS 34 Cb 1.00 -0.53 0.24 0.00 -0.65 0.00 0.00 35.03 35.09 1wfi n LYS 34 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1wfi n ASP 35 N -2.09 0.19 -4.82 -5.58 -0.08 -1.25 -4.61 116.55 98.31 1wfi n ASP 35 Ca 0.00 0.57 -0.22 0.00 -1.51 0.00 0.00 54.79 53.63 1wfi n ASP 35 Cb 0.18 -0.60 -0.04 0.00 2.34 0.00 0.00 41.12 42.99 1wfi n ASP 35 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wfi s VAL 36 N -3.15 3.06 -0.25 5.18 0.11 -1.25 -0.04 120.40 124.05 1wfi s VAL 36 Ca 0.01 -1.47 -0.02 0.00 -2.93 0.00 0.00 61.98 57.57 1wfi s VAL 36 Cb 0.04 -3.07 0.08 0.00 -1.53 0.00 0.00 36.38 31.91 1wfi s VAL 36 CO 0.14 -0.11 0.07 -0.69 -3.33 0.00 0.00 175.10 171.18 1wfi s VAL 37 N -2.41 0.53 -0.33 2.04 1.01 0.39 -4.55 120.40 117.09 1wfi s VAL 37 Ca 0.42 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1wfi s VAL 37 Cb -0.03 -1.23 0.10 0.00 0.00 0.00 0.00 36.38 35.21 1wfi s VAL 37 CO 0.26 -0.46 0.03 -0.69 0.00 0.00 0.00 175.10 174.24 1wfi s VAL 38 N 1.82 2.22 -0.38 2.92 1.01 -1.26 -1.14 120.40 125.60 1wfi s VAL 38 Ca 0.04 -2.24 -0.14 0.00 0.00 0.00 0.00 61.98 59.65 1wfi s VAL 38 Cb -0.17 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1wfi s VAL 38 CO -0.19 -0.54 0.28 -0.62 0.00 0.00 0.00 175.10 174.04 1wfi s ASP 39 N 0.95 6.10 -0.41 3.32 2.15 0.30 -4.97 116.67 124.10 1wfi s ASP 39 Ca 0.09 -0.64 -0.03 0.00 0.43 0.00 0.00 52.55 52.39 1wfi s ASP 39 Cb -0.19 -2.16 0.11 0.00 -0.30 0.00 0.00 42.92 40.38 1wfi s ASP 39 CO -0.08 -0.36 0.20 -0.63 -0.17 0.00 0.00 175.17 174.13 1wfi s ILE 40 N 1.74 3.28 0.50 4.11 1.01 -1.26 -0.46 121.20 130.12 1wfi s ILE 40 Ca 0.06 -2.06 0.09 0.00 0.00 0.00 0.00 60.65 58.74 1wfi s ILE 40 Cb -0.18 -3.25 0.05 0.00 0.01 0.00 0.00 42.46 39.09 1wfi s ILE 40 CO 0.11 -0.69 0.65 -1.10 0.00 0.00 0.00 174.94 173.91 1wfi s GLN 41 N 1.14 2.51 0.11 2.79 -1.52 0.93 -4.77 119.66 120.85 1wfi s GLN 41 Ca 0.08 -1.51 -0.31 0.00 -1.95 0.00 0.00 55.36 51.67 1wfi s GLN 41 Cb -0.23 -2.63 -0.11 0.00 -0.22 0.00 0.00 33.01 29.83 1wfi s GLN 41 CO -0.04 -0.57 1.60 -0.09 -0.25 0.00 0.00 175.29 175.93 1wfi h ARG 42 N 0.46 -0.65 -1.64 2.91 9.65 -1.97 -3.29 114.38 119.85 1wfi h ARG 42 Ca -0.35 0.04 -0.50 0.00 -1.10 0.00 0.00 59.98 58.07 1wfi h ARG 42 Cb 1.28 0.15 -0.41 0.00 -1.39 0.00 0.00 29.97 29.60 1wfi h ARG 42 CO 0.45 -0.43 -0.94 -2.13 2.80 0.00 0.00 179.97 179.72 1wfi n ARG 43 N -5.46 2.24 -3.29 0.20 0.63 -1.26 0.26 116.66 109.98 1wfi n ARG 43 Ca -0.08 -4.00 0.03 0.00 -0.92 0.00 0.00 57.85 52.88 1wfi n ARG 43 Cb 0.37 -1.85 -0.04 0.00 0.45 0.00 0.00 32.46 31.39 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 -3.18 -0.41 0.31 -0.14 2.46 -1.24 -3.06 115.29 110.02 1wfi s HIS 44 Ca 0.41 0.69 0.08 0.00 0.47 0.00 0.00 55.06 56.70 1wfi s HIS 44 Cb 0.38 0.24 -0.04 0.00 -0.13 0.00 0.00 32.58 33.03 1wfi s HIS 44 CO -0.09 -0.21 0.19 -1.17 -2.47 0.00 0.00 174.74 170.99 1wfi s LEU 45 N 2.34 3.51 -0.29 8.88 2.96 -0.82 -0.05 118.68 135.21 1wfi s LEU 45 Ca -0.01 -0.52 -0.16 0.00 -0.22 0.00 0.00 54.13 53.22 1wfi s LEU 45 Cb -0.04 -2.06 0.15 0.00 0.50 0.00 0.00 46.19 44.75 1wfi s LEU 45 CO -0.16 -0.21 1.00 -0.60 -1.32 0.00 0.00 176.35 175.06 1wfi s ARG 46 N -3.87 0.33 0.00 1.98 3.52 0.39 -2.38 118.95 118.93 1wfi s ARG 46 Ca 0.37 0.63 -0.03 0.00 -0.13 0.00 0.00 55.73 56.57 1wfi s ARG 46 Cb -0.06 0.15 -0.01 0.00 -1.56 0.00 0.00 34.95 33.48 1wfi s ARG 46 CO 0.24 -0.08 0.05 0.08 -0.81 0.00 0.00 175.30 174.78 1wfi s VAL 47 N 1.58 0.08 0.00 7.11 1.01 -0.47 0.11 120.40 129.81 1wfi s VAL 47 Ca -0.07 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1wfi s VAL 47 Cb -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1wfi s VAL 47 CO -0.15 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.20 1wfi n GLY 48 N 1.86 0.85 3.74 4.51 0.00 -0.29 -0.04 105.19 115.81 1wfi n GLY 48 Ca -0.21 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 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 4.26 -0.12 0.99 1.43 -1.26 0.15 118.68 124.12 1wfi s LEU 49 Ca 0.00 0.56 -0.42 0.00 -1.03 0.00 0.00 54.13 53.24 1wfi s LEU 49 Cb 0.00 -2.41 -0.20 0.00 0.03 0.00 0.00 46.19 43.61 1wfi s LEU 49 CO 0.00 0.11 1.21 1.17 0.23 0.00 0.00 176.35 179.06 1wfi n LYS 50 N 3.47 0.02 0.00 1.70 4.81 0.94 0.19 118.16 129.29 1wfi n LYS 50 Ca -0.12 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1wfi n LYS 50 Cb 0.52 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 34.06 1wfi n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wfi n GLY 51 N 2.15 2.11 3.90 3.14 0.00 -1.26 -4.97 105.19 110.25 1wfi n GLY 51 Ca 0.23 -0.24 -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 2.16 0.25 1.61 -1.52 0.51 -5.03 119.66 117.64 1wfi s GLN 52 Ca 0.00 0.11 -0.30 0.00 -1.95 0.00 0.00 55.36 53.22 1wfi s GLN 52 Cb 0.00 -2.00 -0.09 0.00 -0.22 0.00 0.00 33.01 30.70 1wfi s GLN 52 CO 0.00 -1.44 1.09 -1.25 -0.25 0.00 0.00 175.29 173.44 1wfi s PRO 53 N -5.48 4.65 -0.44 2.91 0.04 -1.26 -4.44 135.00 130.96 1wfi s PRO 53 Ca 0.61 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 63.13 1wfi s PRO 53 Cb -0.11 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.23 1wfi s PRO 53 CO 0.49 0.20 1.43 -1.25 0.04 0.00 0.00 177.00 177.91 1wfi s PRO 54 N -1.19 3.50 0.40 0.56 0.04 -1.26 -4.36 135.00 132.70 1wfi s PRO 54 Ca 0.45 0.84 0.13 0.00 0.04 0.00 0.00 61.00 62.47 1wfi s PRO 54 Cb -0.31 -4.05 0.98 0.00 0.04 0.00 0.00 34.50 31.15 1wfi s PRO 54 CO 0.39 -1.67 1.91 0.28 0.04 0.00 0.00 177.00 177.95 1wfi h VAL 55 N 6.47 0.81 -4.06 -0.36 2.07 -0.83 -3.40 116.25 116.95 1wfi h VAL 55 Ca -0.27 -0.17 -0.69 0.00 0.82 0.00 0.00 66.70 66.38 1wfi h VAL 55 Cb 1.10 0.26 -0.23 0.00 -1.52 0.00 0.00 31.29 30.90 1wfi h VAL 55 CO 1.11 0.09 -0.80 -0.69 0.02 0.00 0.00 177.57 177.30 1wfi s VAL 56 N -5.49 2.86 0.00 2.57 1.01 -0.90 -4.72 120.40 115.73 1wfi s VAL 56 Ca -0.09 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1wfi s VAL 56 Cb 0.21 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1wfi s VAL 56 CO 0.77 0.48 0.00 -0.67 0.00 0.00 0.00 175.10 175.68 1wfi n ASP 57 N 1.99 0.00 0.00 3.32 2.03 -1.24 -1.37 116.55 121.27 1wfi n ASP 57 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1wfi n ASP 57 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1wfi n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wfi n GLY 58 N 0.00 1.20 3.77 0.27 0.00 -1.00 -3.50 105.19 105.93 1wfi n GLY 58 Ca 0.00 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.00 4.12 0.40 1.61 2.12 -1.26 -1.94 118.70 121.74 1wfi s GLU 59 Ca 0.00 2.31 -0.24 0.00 0.36 0.00 0.00 54.97 57.40 1wfi s GLU 59 Cb 0.00 -2.91 -0.09 0.00 0.26 0.00 0.00 34.13 31.39 1wfi s GLU 59 CO 0.00 -0.43 1.06 -0.51 -0.54 0.00 0.00 175.26 174.84 1wfi s LEU 60 N -2.14 4.14 0.00 2.70 2.01 -1.17 0.21 118.68 124.42 1wfi s LEU 60 Ca 0.53 2.05 0.07 0.00 0.01 0.00 0.00 54.13 56.79 1wfi s LEU 60 Cb -0.41 -4.18 0.30 0.00 0.01 0.00 0.00 46.19 41.90 1wfi s LEU 60 CO 0.55 -0.51 1.17 0.00 1.01 0.00 0.00 176.35 178.58 1wfi n TYR 61 N -0.08 0.00 -3.55 0.29 4.19 -1.26 -4.50 117.16 112.26 1wfi n TYR 61 Ca 0.05 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.25 1wfi n TYR 61 Cb 0.49 -0.44 -0.05 0.00 0.49 0.00 0.00 39.34 39.83 1wfi n TYR 61 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1wfi s ASN 62 N -2.88 -0.66 -0.35 2.98 2.47 -1.26 -5.01 114.94 110.22 1wfi s ASN 62 Ca 0.04 0.97 -0.33 0.00 0.42 0.00 0.00 52.86 53.97 1wfi s ASN 62 Cb 0.04 1.56 -0.14 0.00 -1.45 0.00 0.00 41.25 41.26 1wfi s ASN 62 CO 0.12 -0.14 1.25 -0.62 -3.72 0.00 0.00 177.10 173.99 1wfi n GLU 63 N 4.51 0.00 -4.11 0.43 1.02 -1.26 -4.63 120.64 116.60 1wfi n GLU 63 Ca -0.14 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.64 1wfi n GLU 63 Cb 0.54 -1.06 -0.08 0.00 -0.02 0.00 0.00 31.44 30.83 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 2.81 4.94 -0.40 2.62 -7.23 0.73 -0.66 120.40 123.21 1wfi s VAL 64 Ca 0.78 -0.01 -0.28 0.00 -1.81 0.00 0.00 61.98 60.66 1wfi s VAL 64 Cb -1.06 -3.12 -0.01 0.00 0.56 0.00 0.00 36.38 32.75 1wfi s VAL 64 CO 0.54 0.61 1.71 -0.75 -0.31 0.00 0.00 175.10 176.90 1wfi s LYS 65 N -0.92 3.27 0.28 4.82 2.20 0.27 -4.13 119.74 125.54 1wfi s LYS 65 Ca 0.14 1.14 0.03 0.00 -0.36 0.00 0.00 55.97 56.92 1wfi s LYS 65 Cb -0.12 -4.19 0.41 0.00 -1.51 0.00 0.00 37.83 32.43 1wfi s LYS 65 CO 0.03 -1.94 1.71 -0.39 -0.36 0.00 0.00 175.35 174.40 1wfi h VAL 66 N 6.73 1.28 -0.54 4.02 -1.51 -1.86 -2.52 116.25 121.85 1wfi h VAL 66 Ca -0.31 -1.35 0.01 0.00 -1.23 0.00 0.00 66.70 63.82 1wfi h VAL 66 Cb 1.15 1.46 -0.03 0.00 -2.13 0.00 0.00 31.29 31.74 1wfi h VAL 66 CO 1.08 0.42 0.36 -0.33 -1.23 0.00 0.00 177.57 177.87 1wfi h GLU 67 N 0.36 0.71 -0.08 5.19 5.08 -1.92 0.16 114.58 124.08 1wfi h GLU 67 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wfi h GLU 67 Cb 0.73 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1wfi h GLU 67 CO 0.06 0.47 0.00 0.39 -1.00 0.00 0.00 179.01 178.92 1wfi n GLU 68 N -4.71 1.21 -3.22 2.33 1.02 -1.08 -4.83 120.64 111.35 1wfi n GLU 68 Ca 0.03 -0.32 -0.30 0.00 -0.02 0.00 0.00 57.16 56.55 1wfi n GLU 68 Cb 0.02 -1.14 -0.04 0.00 -0.02 0.00 0.00 31.44 30.26 1wfi n GLU 68 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1wfi s SER 69 N -1.16 6.55 -0.29 1.62 1.04 0.04 -4.62 113.70 116.88 1wfi s SER 69 Ca 0.13 0.94 -0.18 0.00 0.48 0.00 0.00 55.95 57.31 1wfi s SER 69 Cb 0.06 -2.24 0.13 0.00 0.10 0.00 0.00 66.02 64.08 1wfi s SER 69 CO 0.09 -0.21 0.94 -0.44 0.98 0.00 0.00 173.24 174.61 1wfi s SER 70 N -2.83 -0.56 0.21 7.02 0.01 -0.78 -5.00 113.70 111.77 1wfi s SER 70 Ca 0.48 0.94 0.10 0.00 1.31 0.00 0.00 55.95 58.77 1wfi s SER 70 Cb -0.11 1.16 -0.05 0.00 0.21 0.00 0.00 66.02 67.24 1wfi s SER 70 CO 0.26 -0.15 -0.18 -1.66 0.41 0.00 0.00 173.24 171.92 1wfi s TRP 71 N 1.09 1.96 0.17 2.43 1.48 -1.26 0.82 118.94 125.63 1wfi s TRP 71 Ca -0.06 -0.45 -0.20 0.00 -1.06 0.00 0.00 56.10 54.33 1wfi s TRP 71 Cb -0.04 -0.93 0.05 0.00 -1.16 0.00 0.00 33.47 31.39 1wfi s TRP 71 CO -0.13 0.45 0.55 -0.48 -4.06 0.00 0.00 176.95 173.28 1wfi s LEU 72 N -3.04 -0.21 -0.45 -4.66 0.05 0.26 -4.97 118.68 105.66 1wfi s LEU 72 Ca 0.22 -0.21 -0.11 0.00 0.05 0.00 0.00 54.13 54.07 1wfi s LEU 72 Cb -0.05 2.36 0.09 0.00 -2.05 0.00 0.00 46.19 46.55 1wfi s LEU 72 CO 0.09 -1.00 0.33 -0.63 -0.55 0.00 0.00 176.35 174.59 1wfi s ILE 73 N -3.80 4.49 0.09 1.48 1.01 -1.26 0.18 121.20 123.39 1wfi s ILE 73 Ca 0.04 -1.44 -0.31 0.00 0.00 0.00 0.00 60.65 58.94 1wfi s ILE 73 Cb -0.01 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.59 1wfi s ILE 73 CO -0.09 -0.62 1.44 -1.61 0.00 0.00 0.00 174.94 174.06 1wfi s GLU 74 N 1.46 4.29 -0.86 2.79 2.02 0.76 -2.25 118.70 126.91 1wfi s GLU 74 Ca 0.04 2.11 0.00 0.00 0.02 0.00 0.00 54.97 57.14 1wfi s GLU 74 Cb -0.25 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.63 1wfi s GLU 74 CO 0.02 -0.52 0.00 -0.25 0.02 0.00 0.00 175.26 174.53 1wfi n ASP 75 N 4.45 -2.58 -3.85 -0.19 8.00 -1.26 -0.36 116.55 120.77 1wfi n ASP 75 Ca 0.13 0.24 -0.30 0.00 0.71 0.00 0.00 54.79 55.57 1wfi n ASP 75 Cb 0.42 -2.44 -0.02 0.00 -0.02 0.00 0.00 41.12 39.05 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 -0.46 0.00 0.44 0.00 -0.95 -4.72 105.19 99.13 1wfi n GLY 76 Ca -0.09 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.96 0.51 -4.28 1.61 2.85 0.52 -1.70 118.16 113.71 1wfi n LYS 77 Ca 0.05 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.08 1wfi n LYS 77 Cb 0.50 -0.85 -0.12 0.00 -0.65 0.00 0.00 35.03 33.91 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 -1.69 1.67 -0.27 0.58 -7.23 -0.98 -2.02 120.40 110.46 1wfi s VAL 78 Ca 0.00 -1.55 -0.10 0.00 -1.81 0.00 0.00 61.98 58.51 1wfi s VAL 78 Cb 0.00 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.35 1wfi s VAL 78 CO 0.00 -0.10 0.17 -0.69 -0.31 0.00 0.00 175.10 174.17 1wfi s VAL 79 N -1.25 5.17 -0.09 1.32 1.01 0.13 -0.17 120.40 126.52 1wfi s VAL 79 Ca 0.06 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 1wfi s VAL 79 Cb -0.10 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1wfi s VAL 79 CO 0.04 0.28 -0.01 0.42 0.00 0.00 0.00 175.10 175.84 1wfi s THR 80 N 1.60 4.21 -0.01 3.92 -4.23 0.48 0.73 115.64 122.34 1wfi s THR 80 Ca 0.07 -0.28 0.05 0.00 -1.18 0.00 0.00 61.69 60.35 1wfi s THR 80 Cb -0.15 -2.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.90 1wfi s THR 80 CO 0.09 0.59 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.90 1wfi s VAL 81 N -0.75 1.37 -0.41 2.29 1.01 0.45 0.90 120.40 125.26 1wfi s VAL 81 Ca 0.12 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1wfi s VAL 81 Cb -0.11 -1.15 0.11 0.00 0.00 0.00 0.00 36.38 35.23 1wfi s VAL 81 CO 0.02 0.35 0.14 -2.28 0.00 0.00 0.00 175.10 173.34 1wfi s HIS 82 N -0.46 3.33 0.51 5.22 5.04 0.24 0.46 115.29 129.63 1wfi s HIS 82 Ca 0.06 -2.97 -0.05 0.00 -1.54 0.00 0.00 55.06 50.56 1wfi s HIS 82 Cb -0.07 -2.76 -0.02 0.00 0.04 0.00 0.00 32.58 29.77 1wfi s HIS 82 CO -0.00 -0.86 0.80 -0.51 -2.34 0.00 0.00 174.74 171.83 1wfi s LEU 83 N 0.44 3.52 -0.03 8.88 1.43 0.32 -1.87 118.68 131.37 1wfi s LEU 83 Ca 0.14 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 1wfi s LEU 83 Cb -0.22 -3.68 0.02 0.00 0.03 0.00 0.00 46.19 42.35 1wfi s LEU 83 CO -0.05 -0.74 -0.00 -0.70 0.23 0.00 0.00 176.35 175.09 1wfi s GLU 84 N -4.79 0.29 -0.06 1.70 2.12 -1.26 0.17 118.70 116.88 1wfi s GLU 84 Ca 0.49 0.05 -0.30 0.00 0.36 0.00 0.00 54.97 55.57 1wfi s GLU 84 Cb -0.10 -0.44 -0.02 0.00 0.26 0.00 0.00 34.13 33.83 1wfi s GLU 84 CO 0.44 -0.11 1.01 0.15 -0.54 0.00 0.00 175.26 176.21 1wfi s LYS 85 N 0.86 4.47 0.64 4.30 1.02 -0.72 0.96 119.74 131.27 1wfi s LYS 85 Ca -0.09 1.42 0.32 0.00 0.02 0.00 0.00 55.97 57.65 1wfi s LYS 85 Cb -0.12 -3.51 1.75 0.00 -0.52 0.00 0.00 37.83 35.44 1wfi s LYS 85 CO -0.01 -0.21 2.03 0.82 -0.92 0.00 0.00 175.35 177.05 1wfi h ILE 86 N 4.96 0.15 -3.02 2.17 1.08 -1.15 -3.32 117.51 118.39 1wfi h ILE 86 Ca -0.35 0.00 -0.51 0.00 -0.39 0.00 0.00 64.86 63.61 1wfi h ILE 86 Cb 1.18 0.75 -0.40 0.00 -3.07 0.00 0.00 36.82 35.28 1wfi h ILE 86 CO 0.81 0.00 -0.76 0.21 -0.69 0.00 0.00 178.15 177.72 1wfi s ASN 87 N -4.95 3.05 -1.46 1.72 3.84 -1.26 -5.00 114.94 110.87 1wfi s ASN 87 Ca -0.04 -1.00 -0.08 0.00 0.21 0.00 0.00 52.86 51.96 1wfi s ASN 87 Cb 0.12 -0.42 0.03 0.00 -0.55 0.00 0.00 41.25 40.42 1wfi s ASN 87 CO 0.39 -0.38 2.62 0.29 -2.79 0.00 0.00 177.10 177.23 1wfi n LYS 88 N 5.17 4.14 0.00 0.43 5.02 -1.25 -3.85 118.16 127.82 1wfi n LYS 88 Ca -0.06 -2.90 0.00 0.00 -2.02 0.00 0.00 58.31 53.33 1wfi n LYS 88 Cb 0.45 -2.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.73 1wfi n LYS 88 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1wfi n MET 89 N 2.70 0.00 -1.94 1.97 2.81 -1.26 -4.83 117.12 116.57 1wfi n MET 89 Ca 0.69 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 56.28 1wfi n MET 89 Cb 0.25 -0.39 0.14 0.00 -0.71 0.00 0.00 33.22 32.51 1wfi n MET 89 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1wfi s GLU 90 N -1.61 1.21 -0.08 0.03 1.03 -1.25 -5.08 118.70 112.94 1wfi s GLU 90 Ca 0.00 -0.23 0.05 0.00 0.03 0.00 0.00 54.97 54.82 1wfi s GLU 90 Cb 0.00 -1.91 -0.00 0.00 -0.80 0.00 0.00 34.13 31.42 1wfi s GLU 90 CO 0.00 -2.05 -0.24 -0.46 -1.33 0.00 0.00 175.26 171.18 1wfi s TRP 91 N -3.74 2.50 0.45 4.83 -0.11 -1.26 -4.87 118.94 116.75 1wfi s TRP 91 Ca 0.69 -0.93 -0.21 0.00 1.22 0.00 0.00 56.10 56.87 1wfi s TRP 91 Cb -0.07 -1.66 -0.09 0.00 -1.50 0.00 0.00 33.47 30.15 1wfi s TRP 91 CO 0.51 -0.35 1.02 -1.58 -4.62 0.00 0.00 176.95 171.94 1wfi s TRP 92 N 0.17 3.12 -1.28 5.86 0.52 -1.26 -4.95 118.94 121.11 1wfi s TRP 92 Ca -0.13 1.60 0.21 0.00 0.02 0.00 0.00 56.10 57.80 1wfi s TRP 92 Cb -0.16 -3.04 -0.16 0.00 -1.15 0.00 0.00 33.47 28.96 1wfi s TRP 92 CO 0.07 -0.64 0.93 -1.71 0.02 0.00 0.00 176.95 175.63 1wfi n ASN 93 N -0.69 1.29 -0.03 2.95 2.85 -1.26 -5.03 115.26 115.34 1wfi n ASN 93 Ca 0.08 -1.14 0.00 0.00 -0.11 0.00 0.00 54.58 53.40 1wfi n ASN 93 Cb 0.52 0.84 0.00 0.00 1.24 0.00 0.00 39.78 42.38 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 -1.04 0.00 -0.12 1.20 0.00 -1.26 -5.07 116.66 110.36 1wfi n ARG 94 Ca 0.05 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.67 1wfi n ARG 94 Cb 0.36 0.00 -0.09 0.00 -0.00 0.00 0.00 32.46 32.74 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 1.92 -4.07 2.89 -0.00 -1.26 -4.86 117.00 111.62 1wfi n LEU 95 Ca 0.00 0.38 -0.21 0.00 -0.00 0.00 0.00 56.01 56.18 1wfi n LEU 95 Cb 0.00 -0.85 -0.15 0.00 -0.00 0.00 0.00 43.42 42.43 1wfi n LEU 95 CO 0.00 0.32 -0.46 0.68 -0.00 0.00 0.00 177.39 177.94 1wfi s VAL 96 N -2.52 0.94 0.46 1.96 -7.23 -1.26 -4.09 120.40 108.67 1wfi s VAL 96 Ca -0.34 -0.54 0.28 0.00 -1.81 0.00 0.00 61.98 59.57 1wfi s VAL 96 Cb 0.10 -0.79 0.48 0.00 0.56 0.00 0.00 36.38 36.73 1wfi s VAL 96 CO 0.49 0.25 1.75 0.71 -0.31 0.00 0.00 175.10 177.98 1wfi h THR 97 N 4.83 0.39 -3.51 5.32 1.35 0.23 -3.38 112.91 118.14 1wfi h THR 97 Ca -0.33 -0.07 -0.29 0.00 -0.55 0.00 0.00 66.41 65.17 1wfi h THR 97 Cb 1.17 0.18 -0.33 0.00 -1.73 0.00 0.00 68.15 67.43 1wfi h THR 97 CO 0.49 0.04 -0.72 -0.94 -0.25 0.00 0.00 175.52 174.14 1wfi s SER 98 N -5.03 0.05 0.77 5.36 1.04 -1.26 -5.01 113.70 109.62 1wfi s SER 98 Ca -0.07 0.06 -0.15 0.00 0.48 0.00 0.00 55.95 56.28 1wfi s SER 98 Cb 0.25 -0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.39 1wfi s SER 98 CO 0.81 -0.12 1.17 -0.90 0.98 0.00 0.00 173.24 175.18 1wfi n ASP 99 N 4.12 1.12 0.01 7.02 5.68 -1.26 -4.37 116.55 128.87 1wfi n ASP 99 Ca -0.27 0.65 -0.01 0.00 -0.50 0.00 0.00 54.79 54.66 1wfi n ASP 99 Cb 0.51 -1.50 -0.00 0.00 -1.14 0.00 0.00 41.12 38.99 1wfi n ASP 99 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1wfi h PRO 100 N -0.52 -0.04 0.00 0.11 0.13 -1.85 -3.47 132.00 126.36 1wfi h PRO 100 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wfi h PRO 100 Cb 1.31 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1wfi h PRO 100 CO 0.47 -0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.61 1wfi n GLU 101 N -2.36 0.00 -4.18 0.86 1.02 -1.26 -5.00 120.64 109.72 1wfi n GLU 101 Ca -0.01 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.91 1wfi n GLU 101 Cb 0.02 -0.21 -0.06 0.00 -0.02 0.00 0.00 31.44 31.17 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 -0.66 4.06 -0.06 -3.67 1.01 -1.26 -5.05 121.20 115.58 1wfi s ILE 102 Ca 0.00 -1.58 -0.05 0.00 0.00 0.00 0.00 60.65 59.02 1wfi s ILE 102 Cb 0.00 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1wfi s ILE 102 CO 0.00 -0.35 -0.11 -0.46 0.00 0.00 0.00 174.94 174.02 1wfi n ASN 103 N -1.03 0.81 -3.49 3.58 0.23 -1.26 -4.77 115.26 109.32 1wfi n ASN 103 Ca -0.07 0.13 -0.20 0.00 -0.53 0.00 0.00 54.58 53.91 1wfi n ASN 103 Cb 0.58 -0.31 -0.05 0.00 -2.08 0.00 0.00 39.78 37.92 1wfi n ASN 103 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1wfi n THR 104 N -3.49 0.00 -3.07 5.53 -2.24 -1.26 -3.32 114.28 106.43 1wfi n THR 104 Ca -0.13 -1.66 -0.00 0.00 -2.27 0.00 0.00 64.05 59.98 1wfi n THR 104 Cb 0.49 0.47 -0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1wfi n THR 104 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1wfi n LYS 105 N -0.76 -1.18 -0.33 -0.78 4.81 -1.26 -4.89 118.16 113.78 1wfi n LYS 105 Ca -0.09 1.31 -0.29 0.00 -0.87 0.00 0.00 58.31 58.38 1wfi n LYS 105 Cb 0.44 -1.87 0.27 0.00 0.02 0.00 0.00 35.03 33.88 1wfi n LYS 105 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1wfi n LYS 106 N 1.44 -4.02 -0.05 1.64 5.02 -1.26 -5.01 118.16 115.92 1wfi n LYS 106 Ca -0.02 -1.18 -0.05 0.00 -2.02 0.00 0.00 58.31 55.04 1wfi n LYS 106 Cb 0.34 -1.91 -0.02 0.00 -0.02 0.00 0.00 35.03 33.43 1wfi n LYS 106 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1wfi n ILE 107 N -5.47 0.83 -2.04 -0.18 2.08 -1.26 -4.99 119.36 108.33 1wfi n ILE 107 Ca 0.10 0.31 -0.32 0.00 0.56 0.00 0.00 62.75 63.39 1wfi n ILE 107 Cb 0.56 -1.98 0.01 0.00 -0.75 0.00 0.00 39.64 37.47 1wfi n ILE 107 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1wfi s ASN 108 N -5.01 5.95 -0.07 4.38 2.20 -1.26 -5.00 114.94 116.13 1wfi s ASN 108 Ca -0.15 1.70 -0.27 0.00 -0.94 0.00 0.00 52.86 53.20 1wfi s ASN 108 Cb 0.02 -2.52 -0.23 0.00 -2.00 0.00 0.00 41.25 36.52 1wfi s ASN 108 CO 0.22 -1.05 1.02 1.55 -2.94 0.00 0.00 177.10 175.90 1wfi h PRO 109 N 0.32 0.04 0.00 3.55 0.13 -2.03 -3.47 132.00 130.53 1wfi h PRO 109 Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1wfi h PRO 109 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wfi h PRO 109 CO 0.59 0.78 0.00 0.39 -0.23 0.00 0.00 178.00 179.53 1wfi n GLU 110 N -4.69 0.00 -3.95 0.86 -0.58 -1.26 -5.13 120.64 105.90 1wfi n GLU 110 Ca -0.09 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.34 1wfi n GLU 110 Cb 0.39 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.11 1wfi n GLU 110 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1wfi s ASN 111 N 0.00 4.57 0.23 1.62 2.47 -1.26 -5.09 114.94 117.48 1wfi s ASN 111 Ca 0.00 -2.08 0.02 0.00 0.42 0.00 0.00 52.86 51.22 1wfi s ASN 111 Cb 0.00 -1.45 -0.05 0.00 -1.45 0.00 0.00 41.25 38.30 1wfi s ASN 111 CO 0.00 -0.38 0.04 -0.44 -3.72 0.00 0.00 177.10 172.60 1wfi s SER 112 N 1.01 1.44 0.02 -4.21 0.01 -1.26 -5.16 113.70 105.55 1wfi s SER 112 Ca 0.11 -1.29 -0.12 0.00 1.31 0.00 0.00 55.95 55.96 1wfi s SER 112 Cb -0.19 0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.15 1wfi s SER 112 CO -0.11 -0.62 0.25 -0.54 0.41 0.00 0.00 173.24 172.62 1wfi s LYS 113 N -3.95 0.68 -0.27 12.44 -0.14 -1.26 -5.03 119.74 122.21 1wfi s LYS 113 Ca 0.32 -0.42 0.12 0.00 -1.36 0.00 0.00 55.97 54.63 1wfi s LYS 113 Cb 0.07 0.29 0.64 0.00 -1.68 0.00 0.00 37.83 37.15 1wfi s LYS 113 CO 0.10 -0.20 1.62 1.28 -0.76 0.00 0.00 175.35 177.40 1wfi n LEU 114 N 0.98 5.03 -4.38 3.17 4.77 -1.26 -4.88 117.00 120.42 1wfi n LEU 114 Ca -0.20 -3.26 -0.28 0.00 -0.03 0.00 0.00 56.01 52.24 1wfi n LEU 114 Cb 0.57 -0.66 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 1wfi n LEU 114 CO 0.22 0.85 1.49 -0.24 -1.33 0.00 0.00 177.39 178.37 1wfi n SER 115 N -0.43 2.48 -4.02 -1.43 2.88 -1.26 -4.80 113.62 107.03 1wfi n SER 115 Ca 0.33 -2.64 -0.33 0.00 -1.33 0.00 0.00 58.87 54.90 1wfi n SER 115 Cb 1.16 -1.58 -0.12 0.00 -0.75 0.00 0.00 64.21 62.93 1wfi n SER 115 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1wfi s ASP 116 N 6.78 4.79 1.17 -3.46 1.01 -1.26 -5.09 116.67 120.61 1wfi s ASP 116 Ca 0.70 -2.93 -0.17 0.00 0.71 0.00 0.00 52.55 50.86 1wfi s ASP 116 Cb 0.01 -1.75 0.27 0.00 1.01 0.00 0.00 42.92 42.47 1wfi s ASP 116 CO 0.16 -0.30 1.08 -0.76 0.21 0.00 0.00 175.17 175.56 1wfi s LEU 117 N -0.17 0.74 0.39 1.23 1.02 -1.26 -5.07 118.68 115.56 1wfi s LEU 117 Ca 0.17 0.87 0.08 0.00 0.02 0.00 0.00 54.13 55.26 1wfi s LEU 117 Cb -0.23 -2.70 -0.08 0.00 0.02 0.00 0.00 46.19 43.21 1wfi s LEU 117 CO -0.02 -4.01 -0.01 -1.81 0.02 0.00 0.00 176.35 170.52 1wfi s ASP 118 N -3.59 3.83 -0.26 2.29 1.11 -1.26 -5.13 116.67 113.66 1wfi s ASP 118 Ca 0.69 -1.33 -0.03 0.00 0.18 0.00 0.00 52.55 52.06 1wfi s ASP 118 Cb -0.14 -0.38 0.10 0.00 1.07 0.00 0.00 42.92 43.57 1wfi s ASP 118 CO 0.57 -0.39 0.16 -0.94 1.18 0.00 0.00 175.17 175.75 1wfi s SER 119 N -3.68 2.77 -0.34 0.27 1.04 -1.26 -5.09 113.70 107.41 1wfi s SER 119 Ca 0.34 -0.97 0.03 0.00 0.48 0.00 0.00 55.95 55.83 1wfi s SER 119 Cb 0.08 -0.10 0.10 0.00 0.10 0.00 0.00 66.02 66.21 1wfi s SER 119 CO 0.18 -0.40 0.07 -0.70 0.98 0.00 0.00 173.24 173.36 1wfi s GLU 120 N 2.18 1.31 0.22 4.02 2.12 -1.26 -5.11 118.70 122.18 1wfi s GLU 120 Ca 0.08 -1.71 0.06 0.00 0.36 0.00 0.00 54.97 53.75 1wfi s GLU 120 Cb -0.16 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.30 1wfi s GLU 120 CO -0.29 -0.96 0.25 -0.08 -0.54 0.00 0.00 175.26 173.64 1wfi s THR 121 N 1.02 4.83 0.37 -1.70 -1.32 -1.26 -5.13 115.64 112.45 1wfi s THR 121 Ca 0.11 -1.13 0.04 0.00 -1.21 0.00 0.00 61.69 59.49 1wfi s THR 121 Cb -0.19 -3.58 -0.05 0.00 -1.51 0.00 0.00 72.50 67.17 1wfi s THR 121 CO -0.12 -0.28 0.08 -0.60 -2.21 0.00 0.00 174.62 171.49 1wfi s ARG 122 N -3.71 1.79 0.17 7.08 3.00 -1.26 -5.17 118.95 120.85 1wfi s ARG 122 Ca 0.33 -2.04 -0.04 0.00 -1.00 0.00 0.00 55.73 52.98 1wfi s ARG 122 Cb -0.09 -0.86 -0.03 0.00 0.00 0.00 0.00 34.95 33.97 1wfi s ARG 122 CO 0.26 -0.29 0.17 0.45 0.00 0.00 0.00 175.30 175.90 1wfi s SER 123 N -3.56 0.16 0.23 -2.12 0.15 -1.26 -5.18 113.70 102.12 1wfi s SER 123 Ca 0.30 -1.16 0.05 0.00 0.70 0.00 0.00 55.95 55.84 1wfi s SER 123 Cb 0.06 0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 64.70 1wfi s SER 123 CO 0.14 -0.84 -0.04 -0.32 1.20 0.00 0.00 173.24 173.38 1wfi s MET 124 N -4.06 1.35 0.00 5.44 1.75 -1.26 -5.16 119.30 117.36 1wfi s MET 124 Ca 0.27 -1.67 0.00 0.00 -1.25 0.00 0.00 55.69 53.04 1wfi s MET 124 Cb 0.06 -0.80 0.00 0.00 2.84 0.00 0.00 34.83 36.93 1wfi s MET 124 CO 0.05 -0.02 0.00 1.55 -0.65 0.00 0.00 175.02 175.96 1wfi n VAL 125 N -0.43 0.00 0.00 10.11 3.14 -1.26 -5.18 118.33 124.71 1wfi n VAL 125 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1wfi n VAL 125 Cb 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.41 1wfi n VAL 125 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1wfi n SER 126 N 0.00 0.00 -4.04 6.55 3.41 -1.26 -5.17 113.62 113.11 1wfi n SER 126 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1wfi n SER 126 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1wfi n SER 126 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wfi s GLY 127 N 0.00 0.63 0.82 5.00 0.00 -1.26 -5.15 107.32 107.36 1wfi s GLY 127 Ca 0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 44.72 44.15 1wfi s GLY 127 CO 0.00 -0.17 0.90 -1.55 0.00 0.00 0.00 173.10 172.28 1wfi n PRO 128 N 3.23 -1.77 -3.99 2.90 -0.04 -1.26 -5.11 135.00 128.97 1wfi n PRO 128 Ca -0.18 -1.41 -0.09 0.00 -0.04 0.00 0.00 63.50 61.78 1wfi n PRO 128 Cb 0.54 -1.11 -0.08 0.00 -0.04 0.00 0.00 33.50 32.81 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 -4.16 0.14 0.01 3.54 1.04 -1.26 -5.17 113.70 107.84 1wfi s SER 129 Ca 0.54 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1wfi s SER 129 Cb -0.03 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 1wfi s SER 129 CO 0.40 -0.81 -0.02 -0.55 0.98 0.00 0.00 173.24 173.23 1wfi s SER 130 N -2.96 0.24 0.00 7.02 0.15 -1.26 -5.38 113.70 111.51 1wfi s SER 130 Ca 0.16 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1wfi s SER 130 Cb 0.05 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1wfi s SER 130 CO -0.02 -0.12 0.06 0.61 1.20 0.00 0.00 173.24 174.97