#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 -0.66 -0.02 1.61 0.01 -1.26 -5.14 113.70 108.25 1wfi s SER 2 Ca 0.00 -1.38 0.06 0.00 1.31 0.00 0.00 55.95 55.94 1wfi s SER 2 Cb 0.00 1.44 -0.02 0.00 0.21 0.00 0.00 66.02 67.66 1wfi s SER 2 CO 0.00 -0.16 -0.21 -0.55 0.41 0.00 0.00 173.24 172.73 1wfi s SER 3 N 1.37 2.42 -0.14 2.44 0.15 -1.26 -5.13 113.70 113.55 1wfi s SER 3 Ca 0.21 -0.37 -0.25 0.00 0.70 0.00 0.00 55.95 56.24 1wfi s SER 3 Cb -0.05 -0.28 0.06 0.00 -1.71 0.00 0.00 66.02 64.04 1wfi s SER 3 CO -0.06 0.25 0.62 -0.83 1.20 0.00 0.00 173.24 174.42 1wfi s GLY 4 N -0.47 -0.49 0.05 9.45 0.00 -1.26 -5.09 107.32 109.51 1wfi s GLY 4 Ca 0.08 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.26 1wfi s GLY 4 CO -0.01 1.17 0.00 1.44 0.00 0.00 0.00 173.10 175.71 1wfi n SER 5 N 1.86 -8.37 -4.73 1.64 7.64 -1.26 -5.02 113.62 105.38 1wfi n SER 5 Ca -0.17 1.52 -0.24 0.00 1.01 0.00 0.00 58.87 60.98 1wfi n SER 5 Cb 0.56 -4.57 0.09 0.00 -1.01 0.00 0.00 64.21 59.29 1wfi n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfi s SER 6 N -0.50 4.49 0.13 6.43 0.15 -1.26 -5.12 113.70 118.03 1wfi s SER 6 Ca 0.00 -0.01 0.08 0.00 0.70 0.00 0.00 55.95 56.73 1wfi s SER 6 Cb 0.00 -0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 63.77 1wfi s SER 6 CO 0.00 -1.76 -0.20 -0.83 1.20 0.00 0.00 173.24 171.65 1wfi s GLY 7 N -4.64 1.32 0.00 9.45 0.00 -1.26 -5.15 107.32 107.03 1wfi s GLY 7 Ca 0.64 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1wfi s GLY 7 CO 0.44 -1.40 0.00 -1.55 0.00 0.00 0.00 173.10 170.60 1wfi n PRO 8 N 0.69 0.62 0.00 2.90 -0.04 -1.26 -5.04 135.00 132.87 1wfi n PRO 8 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1wfi n PRO 8 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 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 -0.75 0.00 -4.28 3.54 3.02 -1.26 -5.12 115.26 110.42 1wfi n ASN 9 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 1wfi n ASN 9 Cb 0.00 0.18 -0.11 0.00 -0.61 0.00 0.00 39.78 39.25 1wfi n ASN 9 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1wfi s TYR 10 N -1.42 1.54 0.00 3.10 -0.85 -1.26 -4.75 117.35 113.72 1wfi s TYR 10 Ca 0.00 -0.55 -0.02 0.00 -0.52 0.00 0.00 57.07 55.99 1wfi s TYR 10 Cb 0.00 -0.78 -0.04 0.00 0.38 0.00 0.00 41.96 41.52 1wfi s TYR 10 CO 0.00 0.21 0.17 1.03 -1.52 0.00 0.00 175.55 175.44 1wfi s ARG 11 N -2.86 3.37 -0.08 -3.49 0.52 0.02 -4.97 118.95 111.46 1wfi s ARG 11 Ca 0.13 -0.37 -0.20 0.00 -0.52 0.00 0.00 55.73 54.77 1wfi s ARG 11 Cb -0.04 -3.05 0.04 0.00 0.52 0.00 0.00 34.95 32.42 1wfi s ARG 11 CO 0.04 0.66 0.47 1.67 0.02 0.00 0.00 175.30 178.16 1wfi s TRP 12 N -1.34 -0.43 0.07 -0.53 1.48 -1.26 0.39 118.94 117.32 1wfi s TRP 12 Ca 0.28 0.86 0.01 0.00 -1.06 0.00 0.00 56.10 56.20 1wfi s TRP 12 Cb -0.13 0.21 -0.00 0.00 -1.16 0.00 0.00 33.47 32.39 1wfi s TRP 12 CO 0.20 -0.40 0.07 0.25 -4.06 0.00 0.00 176.95 173.01 1wfi n THR 13 N 1.74 0.00 -3.64 0.66 -2.24 0.28 -4.96 114.28 106.12 1wfi n THR 13 Ca -0.18 -0.50 -0.02 0.00 -2.27 0.00 0.00 64.05 61.08 1wfi n THR 13 Cb 0.56 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 1wfi n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfi s GLN 14 N -2.27 0.06 -0.27 -0.78 -2.07 -1.26 -0.35 119.66 112.72 1wfi s GLN 14 Ca 0.08 -0.01 0.09 0.00 -1.82 0.00 0.00 55.36 53.70 1wfi s GLN 14 Cb 0.00 0.03 0.46 0.00 -1.09 0.00 0.00 33.01 32.41 1wfi s GLN 14 CO 0.06 -0.02 1.19 -2.37 -1.32 0.00 0.00 175.29 172.82 1wfi n THR 15 N 0.23 2.36 -1.22 3.63 5.66 -0.90 -4.89 114.28 119.15 1wfi n THR 15 Ca 0.03 -3.95 -0.08 0.00 -3.05 0.00 0.00 64.05 57.00 1wfi n THR 15 Cb 0.58 -0.81 -0.03 0.00 -1.55 0.00 0.00 70.33 68.51 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 -0.74 -0.11 0.03 1.09 4.77 -1.26 -4.60 117.00 116.18 1wfi n LEU 16 Ca 0.37 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1wfi n LEU 16 Cb 0.92 -2.22 0.00 0.00 -2.33 0.00 0.00 43.42 39.79 1wfi n LEU 16 CO 0.31 -0.83 0.00 0.00 -1.33 0.00 0.00 177.39 175.54 1wfi n ALA 17 N 1.14 2.77 -2.87 -1.18 0.00 -1.26 -2.01 120.51 117.09 1wfi n ALA 17 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.12 1wfi n ALA 17 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.22 3.13 -0.20 0.00 4.04 -1.26 -1.21 118.70 121.99 1wfi s GLU 18 Ca 0.00 -0.81 -0.00 0.00 0.04 0.00 0.00 54.97 54.20 1wfi s GLU 18 Cb 0.00 -2.75 0.02 0.00 0.02 0.00 0.00 34.13 31.41 1wfi s GLU 18 CO 0.00 0.47 -0.15 -0.51 -1.84 0.00 0.00 175.26 173.23 1wfi s LEU 19 N -3.38 2.43 -0.06 1.83 1.43 0.39 -2.12 118.68 119.21 1wfi s LEU 19 Ca 0.33 -0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 1wfi s LEU 19 Cb -0.10 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 1wfi s LEU 19 CO 0.26 -0.02 0.23 -1.81 0.23 0.00 0.00 176.35 175.23 1wfi s ASP 20 N 1.32 6.50 0.00 2.29 1.01 0.52 -0.02 116.67 128.29 1wfi s ASP 20 Ca 0.04 0.58 0.00 0.00 0.71 0.00 0.00 52.55 53.89 1wfi s ASP 20 Cb -0.14 -2.11 -0.00 0.00 1.01 0.00 0.00 42.92 41.68 1wfi s ASP 20 CO -0.10 0.35 -0.02 -0.22 0.21 0.00 0.00 175.17 175.39 1wfi s LEU 21 N -1.28 2.05 -0.11 1.23 2.96 -0.68 0.10 118.68 122.96 1wfi s LEU 21 Ca 0.21 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1wfi s LEU 21 Cb -0.13 -0.04 0.06 0.00 0.50 0.00 0.00 46.19 46.57 1wfi s LEU 21 CO 0.10 -0.04 0.22 0.00 -1.32 0.00 0.00 176.35 175.31 1wfi s ALA 22 N -0.28 -0.41 -0.30 5.97 0.00 0.16 -0.89 121.76 126.01 1wfi s ALA 22 Ca -0.02 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.76 1wfi s ALA 22 Cb -0.02 -0.89 0.09 0.00 0.00 0.00 0.00 23.12 22.29 1wfi s ALA 22 CO -0.00 -0.56 0.03 0.08 0.00 0.00 0.00 175.76 175.31 1wfi s VAL 23 N 2.22 1.67 0.24 0.00 1.01 0.23 -0.80 120.40 124.99 1wfi s VAL 23 Ca 0.00 -1.74 -0.30 0.00 0.00 0.00 0.00 61.98 59.95 1wfi s VAL 23 Cb -0.12 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 34.03 1wfi s VAL 23 CO -0.07 -0.46 1.09 -2.16 0.00 0.00 0.00 175.10 173.50 1wfi s PRO 24 N 1.25 4.64 0.07 2.72 0.04 -1.26 0.40 135.00 142.85 1wfi s PRO 24 Ca 0.05 1.76 0.09 0.00 0.04 0.00 0.00 61.00 62.94 1wfi s PRO 24 Cb -0.19 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1wfi s PRO 24 CO -0.12 0.18 -0.25 -0.06 0.04 0.00 0.00 177.00 176.79 1wfi s PHE 25 N -0.85 2.35 -1.10 0.56 0.08 -0.28 -4.93 117.98 113.80 1wfi s PHE 25 Ca 0.46 -0.38 -0.18 0.00 0.12 0.00 0.00 56.93 56.95 1wfi s PHE 25 Cb -0.31 -1.36 0.12 0.00 -0.57 0.00 0.00 43.02 40.90 1wfi s PHE 25 CO 0.38 0.20 1.39 1.03 -0.10 0.00 0.00 175.22 178.12 1wfi s ARG 26 N -1.49 3.84 0.25 0.44 0.52 -1.26 -4.75 118.95 116.49 1wfi s ARG 26 Ca 0.13 -1.99 0.08 0.00 -0.52 0.00 0.00 55.73 53.43 1wfi s ARG 26 Cb -0.10 -5.14 -0.05 0.00 0.52 0.00 0.00 34.95 30.18 1wfi s ARG 26 CO 0.04 -1.92 -0.12 0.14 0.02 0.00 0.00 175.30 173.45 1wfi s VAL 27 N 2.91 1.86 -0.88 3.52 -7.23 -1.26 -5.03 120.40 114.28 1wfi s VAL 27 Ca 0.42 -2.22 0.15 0.00 -1.81 0.00 0.00 61.98 58.52 1wfi s VAL 27 Cb -0.02 -2.24 0.47 0.00 0.56 0.00 0.00 36.38 35.15 1wfi s VAL 27 CO -0.03 -0.45 1.39 -0.24 -0.31 0.00 0.00 175.10 175.45 1wfi n SER 28 N -0.50 3.59 -4.10 4.85 2.88 -1.26 -4.98 113.62 114.10 1wfi n SER 28 Ca -0.07 -2.32 -0.09 0.00 -1.33 0.00 0.00 58.87 55.06 1wfi n SER 28 Cb 0.61 -0.39 -0.09 0.00 -0.75 0.00 0.00 64.21 63.59 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 -1.58 0.72 -0.71 0.66 -0.12 -1.26 -5.10 117.98 110.59 1wfi s PHE 29 Ca 0.35 -1.11 -0.27 0.00 -0.05 0.00 0.00 56.93 55.85 1wfi s PHE 29 Cb 0.22 -0.38 0.02 0.00 -0.63 0.00 0.00 43.02 42.26 1wfi s PHE 29 CO 0.17 -0.55 1.34 1.03 -0.05 0.00 0.00 175.22 177.16 1wfi s ARG 30 N -4.02 3.16 0.26 1.99 0.52 -1.26 -4.73 118.95 114.88 1wfi s ARG 30 Ca 0.21 -0.10 -0.31 0.00 -0.52 0.00 0.00 55.73 55.01 1wfi s ARG 30 Cb 0.07 -4.19 -0.13 0.00 0.52 0.00 0.00 34.95 31.21 1wfi s ARG 30 CO 0.00 -2.17 1.34 1.28 0.02 0.00 0.00 175.30 175.78 1wfi n LEU 31 N 9.66 2.99 -4.87 2.53 4.77 -1.13 -4.98 117.00 125.96 1wfi n LEU 31 Ca 0.05 1.16 -0.24 0.00 -0.03 0.00 0.00 56.01 56.95 1wfi n LEU 31 Cb 0.49 -1.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.15 1wfi n LEU 31 CO 0.71 -0.60 0.01 -0.54 -1.33 0.00 0.00 177.39 175.64 1wfi s LYS 32 N -0.75 2.34 -0.01 3.23 -0.14 -1.26 -4.69 119.74 118.46 1wfi s LYS 32 Ca 0.65 -1.82 0.06 0.00 -1.36 0.00 0.00 55.97 53.51 1wfi s LYS 32 Cb -0.65 -2.19 0.20 0.00 -1.68 0.00 0.00 37.83 33.50 1wfi s LYS 32 CO 0.53 -0.41 1.12 0.41 -0.76 0.00 0.00 175.35 176.23 1wfi n GLY 33 N -1.63 0.31 0.42 -3.33 0.00 -1.26 -3.02 105.19 96.67 1wfi n GLY 33 Ca 0.01 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 0.14 1.79 -1.92 1.61 2.85 -1.26 -4.48 118.16 116.89 1wfi n LYS 34 Ca 0.07 -1.54 0.03 0.00 -1.05 0.00 0.00 58.31 55.82 1wfi n LYS 34 Cb 0.24 -1.18 0.03 0.00 -0.65 0.00 0.00 35.03 33.46 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 0.34 1.14 -4.43 -5.58 2.03 -1.17 -5.02 116.55 103.86 1wfi n ASP 35 Ca 0.07 -2.01 -0.21 0.00 0.52 0.00 0.00 54.79 53.16 1wfi n ASP 35 Cb 0.31 -0.34 -0.10 0.00 -0.72 0.00 0.00 41.12 40.26 1wfi n ASP 35 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wfi s VAL 36 N -1.20 1.11 -0.27 5.18 1.01 -1.25 -2.30 120.40 122.68 1wfi s VAL 36 Ca 0.31 -2.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.27 1wfi s VAL 36 Cb 0.36 -2.76 0.12 0.00 0.00 0.00 0.00 36.38 34.10 1wfi s VAL 36 CO -0.13 0.00 0.23 -0.69 0.00 0.00 0.00 175.10 174.51 1wfi s VAL 37 N -3.33 -0.28 -0.27 2.92 1.01 0.15 -4.36 120.40 116.24 1wfi s VAL 37 Ca 0.36 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1wfi s VAL 37 Cb 0.08 -0.93 0.08 0.00 0.00 0.00 0.00 36.38 35.61 1wfi s VAL 37 CO 0.15 -0.51 0.02 -0.69 0.00 0.00 0.00 175.10 174.07 1wfi s VAL 38 N 2.27 1.34 -0.62 2.92 1.01 -1.25 -0.96 120.40 125.11 1wfi s VAL 38 Ca 0.09 -1.37 -0.17 0.00 0.00 0.00 0.00 61.98 60.53 1wfi s VAL 38 Cb -0.15 -1.81 0.13 0.00 0.00 0.00 0.00 36.38 34.56 1wfi s VAL 38 CO -0.31 -0.36 0.64 -0.62 0.00 0.00 0.00 175.10 174.45 1wfi s ASP 39 N 1.44 6.29 -0.38 3.32 2.15 0.29 -4.97 116.67 124.80 1wfi s ASP 39 Ca 0.02 -1.81 -0.21 0.00 0.43 0.00 0.00 52.55 50.97 1wfi s ASP 39 Cb -0.18 -2.25 0.01 0.00 -0.30 0.00 0.00 42.92 40.20 1wfi s ASP 39 CO -0.12 -0.92 0.69 -0.63 -0.17 0.00 0.00 175.17 174.03 1wfi s ILE 40 N 1.81 4.81 0.17 4.11 1.01 -1.26 -2.16 121.20 129.69 1wfi s ILE 40 Ca 0.09 0.55 0.01 0.00 0.00 0.00 0.00 60.65 61.30 1wfi s ILE 40 Cb -0.24 -4.16 0.01 0.00 0.01 0.00 0.00 42.46 38.07 1wfi s ILE 40 CO 0.02 -0.45 0.06 0.00 0.00 0.00 0.00 174.94 174.57 1wfi n GLN 41 N 6.27 1.44 0.10 2.79 1.13 -0.90 -4.92 117.38 123.29 1wfi n GLN 41 Ca 0.00 -1.17 -0.21 0.00 -1.94 0.00 0.00 57.00 53.68 1wfi n GLN 41 Cb 0.48 0.24 -0.13 0.00 0.11 0.00 0.00 30.24 30.94 1wfi n GLN 41 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1wfi h ARG 42 N 0.00 0.55 -1.45 -1.09 9.65 -1.96 -3.40 114.38 116.68 1wfi h ARG 42 Ca -0.13 -0.78 -0.41 0.00 -1.10 0.00 0.00 59.98 57.56 1wfi h ARG 42 Cb 0.41 0.27 -0.38 0.00 -1.39 0.00 0.00 29.97 28.88 1wfi h ARG 42 CO 0.21 1.35 -1.13 -2.13 2.80 0.00 0.00 179.97 181.07 1wfi n ARG 43 N -3.74 1.04 -3.65 0.20 0.63 -1.26 0.13 116.66 110.02 1wfi n ARG 43 Ca -0.13 -3.19 -0.04 0.00 -0.92 0.00 0.00 57.85 53.57 1wfi n ARG 43 Cb 1.01 -1.44 -0.07 0.00 0.45 0.00 0.00 32.46 32.40 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 -2.43 -0.11 -0.11 -0.14 2.46 -1.26 -3.44 115.29 110.26 1wfi s HIS 44 Ca 0.34 0.27 -0.00 0.00 0.47 0.00 0.00 55.06 56.14 1wfi s HIS 44 Cb 0.39 0.47 0.02 0.00 -0.13 0.00 0.00 32.58 33.33 1wfi s HIS 44 CO -0.04 -0.05 -0.08 -1.17 -2.47 0.00 0.00 174.74 170.93 1wfi s LEU 45 N 0.04 1.23 -0.21 8.88 2.96 -1.11 -2.13 118.68 128.35 1wfi s LEU 45 Ca 0.07 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1wfi s LEU 45 Cb -0.05 -0.84 0.05 0.00 0.50 0.00 0.00 46.19 45.85 1wfi s LEU 45 CO -0.14 -0.10 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.09 1wfi s ARG 46 N 1.59 2.02 0.16 1.98 3.52 -0.92 -2.82 118.95 124.47 1wfi s ARG 46 Ca 0.03 -0.90 0.09 0.00 -0.13 0.00 0.00 55.73 54.81 1wfi s ARG 46 Cb -0.13 -2.48 -0.04 0.00 -1.56 0.00 0.00 34.95 30.74 1wfi s ARG 46 CO -0.07 -0.46 -0.20 0.08 -0.81 0.00 0.00 175.30 173.85 1wfi s VAL 47 N 1.37 1.88 0.00 7.11 1.01 -0.46 0.10 120.40 131.42 1wfi s VAL 47 Ca -0.02 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.10 1wfi s VAL 47 Cb -0.17 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1wfi s VAL 47 CO -0.08 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.40 1wfi n GLY 48 N 0.46 2.77 3.76 4.51 0.00 -0.13 0.11 105.19 116.67 1wfi n GLY 48 Ca -0.14 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 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 4.55 0.10 0.99 1.43 -1.26 0.33 118.68 124.82 1wfi s LEU 49 Ca 0.00 1.67 -0.35 0.00 -1.03 0.00 0.00 54.13 54.41 1wfi s LEU 49 Cb 0.00 -3.38 -0.18 0.00 0.03 0.00 0.00 46.19 42.67 1wfi s LEU 49 CO 0.00 0.11 1.08 1.17 0.23 0.00 0.00 176.35 178.93 1wfi n LYS 50 N 2.09 0.61 0.00 1.70 4.81 -0.97 0.39 118.16 126.78 1wfi n LYS 50 Ca -0.03 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1wfi n LYS 50 Cb 0.49 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 33.86 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 1.93 1.36 3.78 3.14 0.00 -1.26 -4.95 105.19 109.20 1wfi n GLY 51 Ca 0.18 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 1.00 0.64 1.61 -0.21 0.16 -5.04 119.66 117.83 1wfi s GLN 52 Ca 0.00 0.25 -0.13 0.00 0.02 0.00 0.00 55.36 55.50 1wfi s GLN 52 Cb 0.00 -1.83 -0.02 0.00 1.00 0.00 0.00 33.01 32.17 1wfi s GLN 52 CO 0.00 -2.28 1.05 -1.25 -2.12 0.00 0.00 175.29 170.69 1wfi s PRO 53 N -5.30 3.17 -0.21 2.91 0.04 -1.26 -4.48 135.00 129.87 1wfi s PRO 53 Ca 0.65 1.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.46 1wfi s PRO 53 Cb -0.14 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1wfi s PRO 53 CO 0.53 -0.92 1.30 -1.25 0.04 0.00 0.00 177.00 176.71 1wfi s PRO 54 N -4.56 4.10 0.00 0.56 0.04 -1.26 -4.00 135.00 129.88 1wfi s PRO 54 Ca 0.60 1.52 0.22 0.00 0.04 0.00 0.00 61.00 63.39 1wfi s PRO 54 Cb -0.15 -3.82 1.33 0.00 0.04 0.00 0.00 34.50 31.90 1wfi s PRO 54 CO 0.46 -0.88 1.79 1.55 0.04 0.00 0.00 177.00 179.95 1wfi n VAL 55 N 5.72 0.00 -3.70 -0.36 3.14 0.31 -4.64 118.33 118.80 1wfi n VAL 55 Ca 0.14 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.42 1wfi n VAL 55 Cb 0.45 -0.44 -0.11 0.00 -1.06 0.00 0.00 33.84 32.68 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 -2.00 -0.03 -0.30 1.55 1.01 -0.75 -4.90 120.40 114.98 1wfi s VAL 56 Ca 0.33 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.28 1wfi s VAL 56 Cb 0.15 -0.58 0.18 0.00 0.00 0.00 0.00 36.38 36.13 1wfi s VAL 56 CO 0.26 0.04 1.00 -0.62 0.00 0.00 0.00 175.10 175.78 1wfi s ASP 57 N 1.32 -0.56 0.00 3.32 2.15 -1.13 -1.35 116.67 120.43 1wfi s ASP 57 Ca -0.09 0.45 0.00 0.00 0.43 0.00 0.00 52.55 53.34 1wfi s ASP 57 Cb -0.08 1.51 0.00 0.00 -0.30 0.00 0.00 42.92 44.04 1wfi s ASP 57 CO -0.12 -0.10 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 1wfi n GLY 58 N 5.31 1.41 3.60 2.66 0.00 -1.22 -3.97 105.19 112.99 1wfi n GLY 58 Ca -0.07 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 3.57 1.01 1.61 2.12 -1.26 -2.77 118.70 120.98 1wfi s GLU 59 Ca 0.00 1.05 -0.19 0.00 0.36 0.00 0.00 54.97 56.18 1wfi s GLU 59 Cb 0.00 -4.04 -0.10 0.00 0.26 0.00 0.00 34.13 30.25 1wfi s GLU 59 CO 0.00 -1.56 -0.71 1.28 -0.54 0.00 0.00 175.26 173.72 1wfi n LEU 60 N 8.92 -3.79 0.12 2.70 4.77 -1.22 -0.35 117.00 128.14 1wfi n LEU 60 Ca 0.17 0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 56.27 1wfi n LEU 60 Cb 0.48 -0.79 0.25 0.00 -2.33 0.00 0.00 43.42 41.03 1wfi n LEU 60 CO 0.69 -4.33 0.65 0.22 -1.33 0.00 0.00 177.39 173.29 1wfi h TYR 61 N -1.22 0.17 -3.47 -1.77 3.20 -1.63 -3.39 116.97 108.87 1wfi h TYR 61 Ca -0.44 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.34 1wfi h TYR 61 Cb 1.33 -0.04 -0.11 0.00 1.54 0.00 0.00 36.73 39.45 1wfi h TYR 61 CO 0.18 0.55 -0.08 1.21 -1.64 0.00 0.00 178.16 178.38 1wfi s ASN 62 N -6.89 -0.18 0.89 -2.11 2.47 -1.26 -5.01 114.94 102.86 1wfi s ASN 62 Ca -0.04 -0.54 -0.12 0.00 0.42 0.00 0.00 52.86 52.58 1wfi s ASN 62 Cb 0.14 0.52 0.11 0.00 -1.45 0.00 0.00 41.25 40.56 1wfi s ASN 62 CO 0.76 -0.97 1.01 -0.62 -3.72 0.00 0.00 177.10 173.56 1wfi n GLU 63 N -0.28 -0.25 -3.73 0.43 1.02 -1.26 -4.74 120.64 111.83 1wfi n GLU 63 Ca -0.11 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 56.89 1wfi n GLU 63 Cb 0.63 -2.28 -0.09 0.00 -0.02 0.00 0.00 31.44 29.67 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 -2.44 0.03 -0.20 2.62 -7.23 0.35 -3.73 120.40 109.81 1wfi s VAL 64 Ca 0.67 -0.25 -0.29 0.00 -1.81 0.00 0.00 61.98 60.30 1wfi s VAL 64 Cb -0.25 -0.61 -0.03 0.00 0.56 0.00 0.00 36.38 36.05 1wfi s VAL 64 CO 0.58 -0.14 1.52 -0.75 -0.31 0.00 0.00 175.10 176.01 1wfi s LYS 65 N -0.70 3.94 -0.04 4.82 2.20 0.50 -4.23 119.74 126.22 1wfi s LYS 65 Ca -0.08 1.69 -0.03 0.00 -0.36 0.00 0.00 55.97 57.19 1wfi s LYS 65 Cb -0.04 -3.96 -0.02 0.00 -1.51 0.00 0.00 37.83 32.30 1wfi s LYS 65 CO 0.03 -1.10 0.19 0.28 -0.36 0.00 0.00 175.35 174.39 1wfi h VAL 66 N 5.92 0.00 -1.33 4.02 2.07 -1.86 -3.26 116.25 121.81 1wfi h VAL 66 Ca -0.32 -0.49 0.39 0.00 0.82 0.00 0.00 66.70 67.10 1wfi h VAL 66 Cb 1.14 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1wfi h VAL 66 CO 0.99 0.00 1.20 -0.33 0.02 0.00 0.00 177.57 179.45 1wfi h GLU 67 N -0.60 0.00 -1.36 1.57 5.08 -1.93 1.65 114.58 118.98 1wfi h GLU 67 Ca -0.01 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.67 1wfi h GLU 67 Cb 0.09 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.01 1wfi h GLU 67 CO 0.02 0.00 0.45 0.39 -1.00 0.00 0.00 179.01 178.87 1wfi n GLU 68 N -3.61 2.96 -4.00 2.33 -0.58 -1.23 -4.96 120.64 111.55 1wfi n GLU 68 Ca 0.30 -3.68 -0.08 0.00 -0.42 0.00 0.00 57.16 53.28 1wfi n GLU 68 Cb 1.61 -2.28 -0.09 0.00 -0.57 0.00 0.00 31.44 30.11 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 -2.10 0.30 0.23 1.62 0.01 0.56 -4.21 113.70 110.12 1wfi s SER 69 Ca 0.56 -0.89 -0.11 0.00 1.31 0.00 0.00 55.95 56.82 1wfi s SER 69 Cb 0.46 0.28 0.04 0.00 0.21 0.00 0.00 66.02 67.01 1wfi s SER 69 CO -0.16 -0.68 0.59 -1.20 0.41 0.00 0.00 173.24 172.20 1wfi n SER 70 N 0.00 -1.49 -3.59 2.44 7.64 -0.95 -5.01 113.62 112.67 1wfi n SER 70 Ca -0.13 -1.97 -0.11 0.00 1.01 0.00 0.00 58.87 57.67 1wfi n SER 70 Cb 0.62 2.46 -0.03 0.00 -1.01 0.00 0.00 64.21 66.25 1wfi n SER 70 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 1wfi s TRP 71 N -4.02 -0.31 0.33 1.43 1.48 -1.26 0.87 118.94 117.45 1wfi s TRP 71 Ca 0.12 0.03 -0.18 0.00 -1.06 0.00 0.00 56.10 55.01 1wfi s TRP 71 Cb -0.03 0.43 0.06 0.00 -1.16 0.00 0.00 33.47 32.77 1wfi s TRP 71 CO 0.07 -0.84 0.83 -0.48 -4.06 0.00 0.00 176.95 172.47 1wfi s LEU 72 N -2.81 -0.04 -0.19 -4.66 0.05 0.30 -4.96 118.68 106.38 1wfi s LEU 72 Ca 0.04 -0.97 -0.01 0.00 0.05 0.00 0.00 54.13 53.24 1wfi s LEU 72 Cb -0.00 2.68 0.00 0.00 -2.05 0.00 0.00 46.19 46.81 1wfi s LEU 72 CO -0.09 -1.50 -0.12 -0.63 -0.55 0.00 0.00 176.35 173.46 1wfi s ILE 73 N -2.52 2.79 0.00 1.48 1.01 -1.26 0.21 121.20 122.91 1wfi s ILE 73 Ca 0.16 -0.70 -0.22 0.00 0.00 0.00 0.00 60.65 59.89 1wfi s ILE 73 Cb -0.05 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 1wfi s ILE 73 CO 0.09 0.49 0.64 -1.61 0.00 0.00 0.00 174.94 174.55 1wfi s GLU 74 N 1.22 4.37 -0.79 2.79 0.41 0.47 -3.77 118.70 123.40 1wfi s GLU 74 Ca 0.02 0.82 0.00 0.00 -0.41 0.00 0.00 54.97 55.41 1wfi s GLU 74 Cb -0.14 -3.36 0.00 0.00 -1.78 0.00 0.00 34.13 28.85 1wfi s GLU 74 CO -0.05 0.32 0.00 -0.25 -0.49 0.00 0.00 175.26 174.78 1wfi n ASP 75 N 2.86 -2.40 -4.00 -0.19 8.00 -1.26 -1.33 116.55 118.23 1wfi n ASP 75 Ca -0.05 0.24 -0.39 0.00 0.71 0.00 0.00 54.79 55.29 1wfi n ASP 75 Cb 0.51 -2.29 0.01 0.00 -0.02 0.00 0.00 41.12 39.32 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 -0.35 -0.73 0.50 0.44 0.00 -1.25 -4.74 105.19 99.06 1wfi n GLY 76 Ca -0.09 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.73 0.00 -4.67 1.61 2.85 -0.44 -2.85 118.16 109.93 1wfi n LYS 77 Ca -0.15 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.80 1wfi n LYS 77 Cb 0.60 -0.12 -0.13 0.00 -0.65 0.00 0.00 35.03 34.73 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 -1.25 2.83 -0.11 0.58 -7.23 -1.08 -1.13 120.40 113.01 1wfi s VAL 78 Ca 0.00 -1.15 -0.18 0.00 -1.81 0.00 0.00 61.98 58.85 1wfi s VAL 78 Cb 0.00 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 1wfi s VAL 78 CO 0.00 0.35 0.46 -0.69 -0.31 0.00 0.00 175.10 174.92 1wfi s VAL 79 N -0.92 5.18 -0.03 1.32 1.01 0.16 -0.40 120.40 126.73 1wfi s VAL 79 Ca 0.15 0.93 0.06 0.00 0.00 0.00 0.00 61.98 63.11 1wfi s VAL 79 Cb -0.11 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1wfi s VAL 79 CO 0.05 0.35 -0.19 0.42 0.00 0.00 0.00 175.10 175.74 1wfi s THR 80 N 0.46 2.70 0.07 3.92 -4.23 0.57 0.78 115.64 119.91 1wfi s THR 80 Ca 0.25 -0.92 0.06 0.00 -1.18 0.00 0.00 61.69 59.91 1wfi s THR 80 Cb -0.15 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 1wfi s THR 80 CO 0.10 0.55 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.88 1wfi s VAL 81 N -0.72 1.32 -0.27 2.29 1.01 -0.07 0.11 120.40 124.07 1wfi s VAL 81 Ca 0.11 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 60.84 1wfi s VAL 81 Cb -0.10 -1.22 0.07 0.00 0.00 0.00 0.00 36.38 35.13 1wfi s VAL 81 CO 0.01 -0.08 -0.05 -2.28 0.00 0.00 0.00 175.10 172.69 1wfi s HIS 82 N -1.09 3.03 -0.08 5.22 2.46 0.25 -1.68 115.29 123.39 1wfi s HIS 82 Ca 0.02 -2.26 -0.04 0.00 0.47 0.00 0.00 55.06 53.25 1wfi s HIS 82 Cb -0.09 -2.01 -0.04 0.00 -0.13 0.00 0.00 32.58 30.31 1wfi s HIS 82 CO 0.02 -0.86 0.09 -0.51 -2.47 0.00 0.00 174.74 171.02 1wfi s LEU 83 N 1.18 4.07 -0.19 8.88 1.43 0.97 -2.24 118.68 132.78 1wfi s LEU 83 Ca -0.03 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1wfi s LEU 83 Cb -0.19 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 43.96 1wfi s LEU 83 CO -0.07 0.37 -0.13 -0.70 0.23 0.00 0.00 176.35 176.04 1wfi s GLU 84 N -1.19 3.16 0.73 1.70 -6.30 -1.26 0.15 118.70 115.70 1wfi s GLU 84 Ca 0.17 -0.74 -0.14 0.00 -2.50 0.00 0.00 54.97 51.76 1wfi s GLU 84 Cb -0.12 -2.75 0.04 0.00 0.00 0.00 0.00 34.13 31.31 1wfi s GLU 84 CO 0.06 -0.19 1.15 0.15 0.02 0.00 0.00 175.26 176.45 1wfi s LYS 85 N 1.33 2.26 -0.16 4.30 1.02 -0.35 0.19 119.74 128.33 1wfi s LYS 85 Ca 0.05 1.51 -0.22 0.00 0.02 0.00 0.00 55.97 57.33 1wfi s LYS 85 Cb -0.14 -1.87 -0.24 0.00 -0.52 0.00 0.00 37.83 35.07 1wfi s LYS 85 CO -0.08 -1.69 0.47 0.82 -0.92 0.00 0.00 175.35 173.95 1wfi h ILE 86 N -0.50 1.19 0.00 2.17 1.08 -1.87 -3.39 117.51 116.19 1wfi h ILE 86 Ca -0.46 -2.29 -0.15 0.00 -0.39 0.00 0.00 64.86 61.56 1wfi h ILE 86 Cb 1.26 2.69 -0.03 0.00 -3.07 0.00 0.00 36.82 37.68 1wfi h ILE 86 CO 0.50 0.52 -1.63 -3.20 -0.69 0.00 0.00 178.15 173.65 1wfi n ASN 87 N -4.32 0.57 -3.64 1.72 4.05 -1.26 -5.01 115.26 107.37 1wfi n ASN 87 Ca -0.24 0.25 -0.32 0.00 0.45 0.00 0.00 54.58 54.72 1wfi n ASN 87 Cb 0.70 0.65 0.02 0.00 1.23 0.00 0.00 39.78 42.37 1wfi n ASN 87 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1wfi n LYS 88 N -2.73 -1.74 0.00 1.20 2.85 -1.26 -4.79 118.16 111.68 1wfi n LYS 88 Ca -0.11 1.10 0.00 0.00 -1.05 0.00 0.00 58.31 58.25 1wfi n LYS 88 Cb 0.81 -2.20 0.00 0.00 -0.65 0.00 0.00 35.03 32.99 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 -1.40 0.00 -3.04 -1.58 0.00 -0.85 -4.70 117.12 105.54 1wfi n MET 89 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.10 1wfi n MET 89 Cb 0.69 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.85 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 -1.02 4.46 0.02 3.17 2.12 -1.26 -4.96 118.70 121.22 1wfi s GLU 90 Ca 0.00 1.01 -0.23 0.00 0.36 0.00 0.00 54.97 56.11 1wfi s GLU 90 Cb 0.00 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 1wfi s GLU 90 CO 0.00 0.42 0.71 -0.46 -0.54 0.00 0.00 175.26 175.38 1wfi s TRP 91 N -0.51 3.70 0.49 5.30 -0.11 -1.26 -4.87 118.94 121.68 1wfi s TRP 91 Ca 0.36 1.37 -0.18 0.00 1.22 0.00 0.00 56.10 58.87 1wfi s TRP 91 Cb -0.21 -2.75 -0.09 0.00 -1.50 0.00 0.00 33.47 28.92 1wfi s TRP 91 CO 0.23 0.28 0.97 -1.58 -4.62 0.00 0.00 176.95 172.23 1wfi s TRP 92 N -0.02 3.41 -0.26 5.86 0.52 -1.26 -4.97 118.94 122.22 1wfi s TRP 92 Ca 0.36 1.50 0.17 0.00 0.02 0.00 0.00 56.10 58.15 1wfi s TRP 92 Cb -0.20 -2.80 -0.24 0.00 -1.15 0.00 0.00 33.47 29.09 1wfi s TRP 92 CO 0.21 -0.29 0.48 0.09 0.02 0.00 0.00 176.95 177.46 1wfi n ASN 93 N -1.30 0.99 -3.64 2.95 3.02 -1.26 -4.96 115.26 111.06 1wfi n ASN 93 Ca 0.07 -0.28 -0.06 0.00 -0.03 0.00 0.00 54.58 54.27 1wfi n ASN 93 Cb 0.54 1.54 -0.07 0.00 -0.61 0.00 0.00 39.78 41.18 1wfi n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wfi s ARG 94 N -3.00 0.64 0.18 3.52 1.04 -1.26 -5.05 118.95 115.02 1wfi s ARG 94 Ca -0.02 1.08 -0.27 0.00 -1.04 0.00 0.00 55.73 55.48 1wfi s ARG 94 Cb 0.11 0.14 0.02 0.00 -2.04 0.00 0.00 34.95 33.19 1wfi s ARG 94 CO 0.70 -0.13 1.55 1.25 -0.04 0.00 0.00 175.30 178.63 1wfi h LEU 95 N 6.63 -1.86 -8.64 -1.89 7.12 -1.97 -3.36 115.31 111.33 1wfi h LEU 95 Ca -0.30 0.31 -0.60 0.00 0.13 0.00 0.00 57.88 57.42 1wfi h LEU 95 Cb 1.22 0.86 -0.25 0.00 -0.53 0.00 0.00 40.66 41.96 1wfi h LEU 95 CO 0.16 -0.27 -0.85 0.68 -0.13 0.00 0.00 178.44 178.03 1wfi s VAL 96 N -5.67 1.81 0.22 1.05 -7.23 -1.26 -2.55 120.40 106.76 1wfi s VAL 96 Ca -0.13 -1.36 -0.01 0.00 -1.81 0.00 0.00 61.98 58.67 1wfi s VAL 96 Cb 0.14 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 1wfi s VAL 96 CO 0.65 0.16 1.56 0.71 -0.31 0.00 0.00 175.10 177.87 1wfi h THR 97 N 4.23 1.32 -3.61 5.32 1.35 -0.89 -3.41 112.91 117.22 1wfi h THR 97 Ca -0.45 -1.71 -0.61 0.00 -0.55 0.00 0.00 66.41 63.09 1wfi h THR 97 Cb 1.16 1.71 -0.38 0.00 -1.73 0.00 0.00 68.15 68.91 1wfi h THR 97 CO 0.42 0.53 -0.78 -0.44 -0.25 0.00 0.00 175.52 175.00 1wfi s SER 98 N -6.89 3.90 0.54 5.36 0.01 -1.26 -5.00 113.70 110.36 1wfi s SER 98 Ca -0.07 -1.25 -0.07 0.00 1.31 0.00 0.00 55.95 55.87 1wfi s SER 98 Cb 0.12 -1.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.14 1wfi s SER 98 CO 0.82 -0.25 0.88 1.51 0.41 0.00 0.00 173.24 176.61 1wfi s ASP 99 N 1.39 6.20 0.00 2.44 1.47 -1.26 -4.02 116.67 122.88 1wfi s ASP 99 Ca -0.04 1.09 0.00 0.00 1.18 0.00 0.00 52.55 54.78 1wfi s ASP 99 Cb -0.19 -2.29 0.00 0.00 -0.34 0.00 0.00 42.92 40.10 1wfi s ASP 99 CO -0.07 -0.72 0.00 -0.81 0.68 0.00 0.00 175.17 174.25 1wfi n PRO 100 N -2.47 3.40 0.00 2.11 -0.04 -1.25 -5.02 135.00 131.73 1wfi n PRO 100 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1wfi n PRO 100 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 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 0.00 0.00 -1.64 0.54 1.02 -1.26 -5.11 120.64 114.19 1wfi n GLU 101 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 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 4.16 -0.19 -3.67 1.09 -1.26 -5.00 121.20 116.33 1wfi s ILE 102 Ca 0.00 0.70 -0.04 0.00 -1.10 0.00 0.00 60.65 60.22 1wfi s ILE 102 Cb 0.00 -3.51 -0.10 0.00 -1.06 0.00 0.00 42.46 37.79 1wfi s ILE 102 CO 0.00 -0.92 -0.20 -0.46 -0.10 0.00 0.00 174.94 173.26 1wfi n ASN 103 N -3.05 2.05 -0.95 3.58 0.23 -1.26 -4.96 115.26 110.90 1wfi n ASN 103 Ca 0.07 0.05 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 1wfi n ASN 103 Cb 0.54 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1wfi n ASN 103 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1wfi n THR 104 N -3.40 0.00 -3.98 5.53 5.66 -1.26 -4.66 114.28 112.17 1wfi n THR 104 Ca -0.35 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.56 1wfi n THR 104 Cb 0.81 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.56 1wfi n THR 104 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1wfi n LYS 105 N 0.00 0.32 -2.53 1.09 4.76 -1.26 -5.06 118.16 115.48 1wfi n LYS 105 Ca 0.00 -1.68 -0.43 0.00 -2.87 0.00 0.00 58.31 53.33 1wfi n LYS 105 Cb 0.00 1.51 0.00 0.00 -1.84 0.00 0.00 35.03 34.70 1wfi n LYS 105 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1wfi n LYS 106 N -0.33 3.23 0.00 1.97 0.00 -1.26 -4.87 118.16 116.89 1wfi n LYS 106 Ca 0.02 -3.35 0.00 0.00 0.00 0.00 0.00 58.31 54.98 1wfi n LYS 106 Cb 0.33 -3.30 0.00 0.00 0.00 0.00 0.00 35.03 32.06 1wfi n LYS 106 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1wfi n ILE 107 N 5.46 0.00 -3.64 3.15 -5.35 -1.26 -4.89 119.36 112.83 1wfi n ILE 107 Ca 0.45 0.74 -0.02 0.00 -0.27 0.00 0.00 62.75 63.66 1wfi n ILE 107 Cb 0.43 -1.15 -0.03 0.00 -1.74 0.00 0.00 39.64 37.15 1wfi n ILE 107 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1wfi s ASN 108 N -2.45 -0.03 -0.08 7.28 3.04 -1.26 -5.06 114.94 116.38 1wfi s ASN 108 Ca 0.00 0.01 -0.24 0.00 0.04 0.00 0.00 52.86 52.67 1wfi s ASN 108 Cb 0.00 0.02 -0.20 0.00 -1.54 0.00 0.00 41.25 39.54 1wfi s ASN 108 CO 0.00 -0.04 0.89 1.55 -3.04 0.00 0.00 177.10 176.46 1wfi h PRO 109 N 2.02 -0.07 -2.52 0.43 0.13 -2.04 -3.43 132.00 126.53 1wfi h PRO 109 Ca -0.05 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.57 1wfi h PRO 109 Cb 1.15 0.02 -0.38 0.00 0.13 0.00 0.00 31.00 31.92 1wfi h PRO 109 CO 0.20 0.56 -0.80 -1.21 -0.23 0.00 0.00 178.00 176.52 1wfi s GLU 110 N -3.10 0.45 -0.15 0.86 2.02 -1.26 -4.94 118.70 112.59 1wfi s GLU 110 Ca -0.15 -0.98 0.05 0.00 0.02 0.00 0.00 54.97 53.91 1wfi s GLU 110 Cb -0.01 -1.14 -0.13 0.00 0.10 0.00 0.00 34.13 32.96 1wfi s GLU 110 CO 0.57 -1.15 -0.06 0.27 0.02 0.00 0.00 175.26 174.91 1wfi n ASN 111 N 4.46 2.39 -1.23 -0.19 0.23 -1.26 -5.11 115.26 114.54 1wfi n ASN 111 Ca 0.06 -0.05 0.14 0.00 -0.53 0.00 0.00 54.58 54.20 1wfi n ASN 111 Cb 0.40 0.20 -0.06 0.00 -2.08 0.00 0.00 39.78 38.24 1wfi n ASN 111 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1wfi n SER 112 N -2.76 -6.51 -3.85 0.53 7.64 -1.26 -4.98 113.62 102.43 1wfi n SER 112 Ca -0.25 0.84 -0.12 0.00 1.01 0.00 0.00 58.87 60.35 1wfi n SER 112 Cb 0.85 -3.98 -0.10 0.00 -1.01 0.00 0.00 64.21 59.97 1wfi n SER 112 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wfi s LYS 113 N -3.42 0.49 -0.41 1.43 -0.14 -1.26 -5.12 119.74 111.32 1wfi s LYS 113 Ca 0.00 -0.32 0.01 0.00 -1.36 0.00 0.00 55.97 54.30 1wfi s LYS 113 Cb 0.00 0.21 0.13 0.00 -1.68 0.00 0.00 37.83 36.49 1wfi s LYS 113 CO 0.00 -0.12 0.21 -0.48 -0.76 0.00 0.00 175.35 174.21 1wfi s LEU 114 N -1.27 2.40 -0.46 3.17 2.34 -1.26 -5.01 118.68 118.57 1wfi s LEU 114 Ca -0.14 -2.43 0.05 0.00 0.06 0.00 0.00 54.13 51.67 1wfi s LEU 114 Cb -0.07 -0.92 0.19 0.00 -0.56 0.00 0.00 46.19 44.83 1wfi s LEU 114 CO 0.02 -0.29 0.42 -1.20 -1.06 0.00 0.00 176.35 174.23 1wfi n SER 115 N 3.79 0.39 -3.70 1.48 7.64 -1.26 -5.02 113.62 116.94 1wfi n SER 115 Ca 0.08 -2.61 -0.29 0.00 1.01 0.00 0.00 58.87 57.05 1wfi n SER 115 Cb 0.36 -0.61 -0.12 0.00 -1.01 0.00 0.00 64.21 62.83 1wfi n SER 115 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1wfi s ASP 116 N -0.54 3.52 0.97 6.43 1.01 -1.26 -5.11 116.67 121.69 1wfi s ASP 116 Ca 0.32 -2.87 -0.14 0.00 0.71 0.00 0.00 52.55 50.57 1wfi s ASP 116 Cb 0.06 -1.04 0.21 0.00 1.01 0.00 0.00 42.92 43.15 1wfi s ASP 116 CO -0.17 -0.23 1.26 0.18 0.21 0.00 0.00 175.17 176.42 1wfi n LEU 117 N 3.21 0.00 -4.71 1.23 4.77 -1.26 -4.90 117.00 115.34 1wfi n LEU 117 Ca 0.13 -1.49 -0.60 0.00 -0.03 0.00 0.00 56.01 54.02 1wfi n LEU 117 Cb 0.36 -0.95 -0.08 0.00 -2.33 0.00 0.00 43.42 40.43 1wfi n LEU 117 CO 0.22 -1.37 1.31 0.47 -1.33 0.00 0.00 177.39 176.69 1wfi n ASP 118 N -3.73 2.12 0.00 -1.43 8.00 -1.26 -4.89 116.55 115.36 1wfi n ASP 118 Ca 0.16 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.74 1wfi n ASP 118 Cb 0.56 -1.08 0.00 0.00 -0.02 0.00 0.00 41.12 40.58 1wfi n ASP 118 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1wfi n SER 119 N 5.22 0.00 0.00 -2.24 3.41 -1.26 -5.18 113.62 113.57 1wfi n SER 119 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1wfi n SER 119 Cb 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1wfi n SER 119 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1wfi n GLU 120 N 0.00 3.99 -4.39 4.33 2.13 -1.26 -5.16 120.64 120.28 1wfi n GLU 120 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 1wfi n GLU 120 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 1wfi n GLU 120 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1wfi s THR 121 N 1.95 2.80 0.26 6.31 -1.32 -1.26 -5.14 115.64 119.24 1wfi s THR 121 Ca 0.00 -2.11 -0.20 0.00 -1.21 0.00 0.00 61.69 58.17 1wfi s THR 121 Cb 0.00 -2.45 0.02 0.00 -1.51 0.00 0.00 72.50 68.56 1wfi s THR 121 CO 0.00 -0.30 0.67 0.00 -2.21 0.00 0.00 174.62 172.78 1wfi s ARG 122 N -3.30 1.71 0.22 7.08 1.04 -1.26 -5.19 118.95 119.24 1wfi s ARG 122 Ca 0.28 -0.99 -0.08 0.00 -1.04 0.00 0.00 55.73 53.91 1wfi s ARG 122 Cb -0.06 0.59 -0.02 0.00 -2.04 0.00 0.00 34.95 33.41 1wfi s ARG 122 CO 0.15 -0.77 0.31 -1.54 -0.04 0.00 0.00 175.30 173.42 1wfi s SER 123 N -2.92 0.03 0.09 -2.89 1.04 -1.26 -5.18 113.70 102.60 1wfi s SER 123 Ca 0.12 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1wfi s SER 123 Cb -0.05 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1wfi s SER 123 CO 0.06 -0.99 0.11 1.15 0.98 0.00 0.00 173.24 174.55 1wfi n MET 124 N -0.31 0.16 -3.15 4.02 0.00 -1.26 -5.16 117.12 111.42 1wfi n MET 124 Ca -0.01 -0.72 0.05 0.00 0.00 0.00 0.00 57.70 57.01 1wfi n MET 124 Cb 0.64 0.67 -0.01 0.00 0.00 0.00 0.00 33.22 34.52 1wfi n MET 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1wfi s VAL 125 N -2.49 -0.67 -0.05 3.17 0.11 -1.26 -5.15 120.40 114.06 1wfi s VAL 125 Ca 0.08 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1wfi s VAL 125 Cb -0.00 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 34.00 1wfi s VAL 125 CO 0.06 0.00 -0.04 -0.94 -3.33 0.00 0.00 175.10 170.85 1wfi s SER 126 N 2.90 1.15 -0.12 3.54 1.04 -1.26 -5.13 113.70 115.83 1wfi s SER 126 Ca 0.13 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.43 1wfi s SER 126 Cb -0.10 -0.47 0.03 0.00 0.10 0.00 0.00 66.02 65.58 1wfi s SER 126 CO -0.19 -0.09 -0.07 -0.83 0.98 0.00 0.00 173.24 173.05 1wfi s GLY 127 N 1.18 0.82 1.08 7.32 0.00 -1.26 -5.14 107.32 111.32 1wfi s GLY 127 Ca -0.07 -0.56 -0.17 0.00 0.00 0.00 0.00 44.72 43.92 1wfi s GLY 127 CO -0.01 0.86 1.22 2.56 0.00 0.00 0.00 173.10 177.72 1wfi s PRO 128 N 1.72 -0.25 0.17 2.90 0.04 -1.26 -5.10 135.00 133.22 1wfi s PRO 128 Ca 0.04 -0.23 0.03 0.00 0.04 0.00 0.00 61.00 60.88 1wfi s PRO 128 Cb -0.13 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 1wfi s PRO 128 CO -0.08 -3.04 -0.03 -1.54 0.04 0.00 0.00 177.00 172.35 1wfi s SER 129 N -4.40 1.45 0.25 6.66 1.04 -1.26 -5.17 113.70 112.27 1wfi s SER 129 Ca 0.72 -1.13 0.01 0.00 0.48 0.00 0.00 55.95 56.04 1wfi s SER 129 Cb -0.07 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 1wfi s SER 129 CO 0.54 -0.49 0.13 -0.44 0.98 0.00 0.00 173.24 173.96 1wfi s SER 130 N -3.18 0.87 0.00 7.02 0.01 -1.26 -5.38 113.70 111.79 1wfi s SER 130 Ca 0.22 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 56.04 1wfi s SER 130 Cb 0.05 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1wfi s SER 130 CO 0.03 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.47