#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 1.22 -0.07 1.61 7.64 -1.26 -4.92 113.62 117.84 1wfi n SER 2 Ca 0.00 0.16 -0.05 0.00 1.01 0.00 0.00 58.87 59.99 1wfi n SER 2 Cb 0.00 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 62.78 1wfi n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wfi h SER 3 N -0.14 0.00 -1.95 6.43 0.02 -2.09 -3.47 113.55 112.34 1wfi h SER 3 Ca -0.00 -0.10 -0.28 0.00 -0.84 0.00 0.00 61.79 60.57 1wfi h SER 3 Cb 0.16 0.00 0.15 0.00 0.14 0.00 0.00 62.40 62.85 1wfi h SER 3 CO -0.00 0.76 -0.57 0.61 -1.14 0.00 0.00 176.83 176.48 1wfi n GLY 4 N 1.65 -2.49 3.61 -3.77 0.00 -1.26 -5.04 105.19 97.89 1wfi n GLY 4 Ca -0.07 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 45.17 1wfi n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfi s SER 5 N -1.88 -0.13 0.43 1.61 1.04 -1.26 -4.96 113.70 108.55 1wfi s SER 5 Ca 0.39 -0.09 -0.05 0.00 0.48 0.00 0.00 55.95 56.68 1wfi s SER 5 Cb -0.06 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 1wfi s SER 5 CO 0.41 -0.36 0.73 -0.44 0.98 0.00 0.00 173.24 174.56 1wfi s SER 6 N -2.58 6.32 0.25 7.02 0.01 -1.26 -4.65 113.70 118.81 1wfi s SER 6 Ca 0.11 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.23 1wfi s SER 6 Cb 0.01 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1wfi s SER 6 CO -0.04 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.74 1wfi n GLY 7 N -1.94 0.98 0.00 3.44 0.00 -1.26 -4.69 105.19 101.72 1wfi n GLY 7 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 1.49 0.64 0.32 1.61 -0.04 -1.26 -4.49 135.00 133.26 1wfi n PRO 8 Ca 0.00 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.66 1wfi n PRO 8 Cb 0.00 0.00 1.08 0.00 -0.04 0.00 0.00 33.50 34.54 1wfi n PRO 8 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1wfi h ASN 9 N -0.12 0.00 -4.52 3.54 -0.73 -1.94 -3.42 115.58 108.40 1wfi h ASN 9 Ca 0.00 0.00 -0.24 0.00 1.87 0.00 0.00 56.30 57.93 1wfi h ASN 9 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 38.44 1wfi h ASN 9 CO 0.00 0.00 -0.70 -0.72 -0.37 0.00 0.00 177.43 175.64 1wfi s TYR 10 N -4.06 0.94 -0.11 0.67 1.13 -1.26 -4.85 117.35 109.81 1wfi s TYR 10 Ca -0.04 -0.88 -0.09 0.00 -1.41 0.00 0.00 57.07 54.65 1wfi s TYR 10 Cb 0.11 -0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 40.40 1wfi s TYR 10 CO 0.36 -0.11 0.20 1.03 -2.51 0.00 0.00 175.55 174.51 1wfi s ARG 11 N -3.73 3.66 -0.20 -3.49 0.52 -1.08 -4.81 118.95 109.81 1wfi s ARG 11 Ca 0.12 -0.03 -0.12 0.00 -0.52 0.00 0.00 55.73 55.18 1wfi s ARG 11 Cb 0.04 -3.24 0.06 0.00 0.52 0.00 0.00 34.95 32.34 1wfi s ARG 11 CO -0.04 0.68 0.50 1.67 0.02 0.00 0.00 175.30 178.13 1wfi s TRP 12 N -0.79 -0.73 0.00 -0.53 1.48 -1.26 -0.51 118.94 116.60 1wfi s TRP 12 Ca 0.16 1.54 0.00 0.00 -1.06 0.00 0.00 56.10 56.74 1wfi s TRP 12 Cb -0.13 0.37 0.00 0.00 -1.16 0.00 0.00 33.47 32.55 1wfi s TRP 12 CO 0.05 -0.39 0.00 0.25 -4.06 0.00 0.00 176.95 172.80 1wfi n THR 13 N 4.17 0.00 -1.44 0.66 -2.24 0.58 -4.96 114.28 111.05 1wfi n THR 13 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1wfi n THR 13 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.48 -2.74 -0.78 10.64 -1.26 -1.97 117.38 118.79 1wfi n GLN 14 Ca 0.00 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.08 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 1.13 0.12 -2.07 -0.39 5.66 -0.88 -4.94 114.28 112.91 1wfi n THR 15 Ca 0.00 -1.93 -0.04 0.00 -3.05 0.00 0.00 64.05 59.02 1wfi n THR 15 Cb 0.00 1.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.77 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 -0.20 -0.39 0.00 1.09 7.99 -1.26 -4.34 117.00 119.89 1wfi n LEU 16 Ca 0.03 0.30 0.00 0.00 -0.01 0.00 0.00 56.01 56.34 1wfi n LEU 16 Cb 0.79 -1.29 0.00 0.00 -0.11 0.00 0.00 43.42 42.81 1wfi n LEU 16 CO 0.02 -0.10 0.00 0.00 -1.51 0.00 0.00 177.39 175.80 1wfi n ALA 17 N -1.82 0.99 -2.89 -1.18 0.00 -1.26 -2.70 120.51 111.64 1wfi n ALA 17 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 1wfi n ALA 17 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.23 3.21 -0.10 0.00 4.04 -1.26 -2.73 118.70 121.62 1wfi s GLU 18 Ca 0.00 -0.81 0.01 0.00 0.04 0.00 0.00 54.97 54.21 1wfi s GLU 18 Cb 0.00 -2.78 -0.02 0.00 0.02 0.00 0.00 34.13 31.35 1wfi s GLU 18 CO 0.00 0.46 -0.12 -0.51 -1.84 0.00 0.00 175.26 173.25 1wfi s LEU 19 N -3.56 2.84 0.00 1.83 1.43 0.27 -2.08 118.68 119.41 1wfi s LEU 19 Ca 0.33 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1wfi s LEU 19 Cb -0.09 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 1wfi s LEU 19 CO 0.27 0.25 -0.08 -0.62 0.23 0.00 0.00 176.35 176.39 1wfi s ASP 20 N -0.12 4.50 -0.14 2.29 -1.08 -0.83 -1.42 116.67 119.86 1wfi s ASP 20 Ca -0.01 -0.17 -0.14 0.00 -0.52 0.00 0.00 52.55 51.71 1wfi s ASP 20 Cb -0.13 -1.02 0.04 0.00 -1.46 0.00 0.00 42.92 40.35 1wfi s ASP 20 CO 0.03 0.29 0.40 -0.22 0.52 0.00 0.00 175.17 176.19 1wfi s LEU 21 N -1.35 0.47 -0.13 -1.34 2.96 -0.62 -0.31 118.68 118.35 1wfi s LEU 21 Ca 0.16 0.75 -0.04 0.00 -0.22 0.00 0.00 54.13 54.79 1wfi s LEU 21 Cb -0.11 1.40 0.06 0.00 0.50 0.00 0.00 46.19 48.04 1wfi s LEU 21 CO 0.07 -0.17 0.18 0.00 -1.32 0.00 0.00 176.35 175.10 1wfi s ALA 22 N 0.07 -0.15 -0.35 5.97 0.00 0.33 -0.22 121.76 127.41 1wfi s ALA 22 Ca -0.01 0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.30 1wfi s ALA 22 Cb -0.03 -1.02 0.07 0.00 0.00 0.00 0.00 23.12 22.15 1wfi s ALA 22 CO 0.01 -0.85 0.09 0.08 0.00 0.00 0.00 175.76 175.09 1wfi s VAL 23 N 2.29 3.14 0.56 0.00 1.01 0.51 -2.65 120.40 125.27 1wfi s VAL 23 Ca 0.04 -1.67 -0.17 0.00 0.00 0.00 0.00 61.98 60.18 1wfi s VAL 23 Cb -0.14 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1wfi s VAL 23 CO -0.08 -0.36 1.04 -2.16 0.00 0.00 0.00 175.10 173.54 1wfi s PRO 24 N 1.21 3.51 0.02 2.72 0.04 -1.26 0.03 135.00 141.27 1wfi s PRO 24 Ca 0.01 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.28 1wfi s PRO 24 Cb -0.21 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1wfi s PRO 24 CO -0.02 -0.65 -0.04 -0.06 0.04 0.00 0.00 177.00 176.26 1wfi s PHE 25 N -2.35 0.38 -1.18 0.56 0.08 -1.24 -4.89 117.98 109.34 1wfi s PHE 25 Ca 0.64 -0.38 -0.10 0.00 0.12 0.00 0.00 56.93 57.21 1wfi s PHE 25 Cb -0.15 -0.24 0.22 0.00 -0.57 0.00 0.00 43.02 42.28 1wfi s PHE 25 CO 0.32 -0.10 1.42 0.54 -0.10 0.00 0.00 175.22 177.29 1wfi n ARG 26 N 1.96 3.63 -4.10 0.44 5.12 -1.26 -4.68 116.66 117.77 1wfi n ARG 26 Ca -0.20 -4.09 -0.23 0.00 -1.93 0.00 0.00 57.85 51.40 1wfi n ARG 26 Cb 0.56 -2.79 -0.06 0.00 -1.16 0.00 0.00 32.46 29.01 1wfi n ARG 26 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1wfi s VAL 27 N -0.16 3.34 -0.45 1.55 -7.23 -1.26 -5.03 120.40 111.16 1wfi s VAL 27 Ca 0.37 -1.66 0.10 0.00 -1.81 0.00 0.00 61.98 58.98 1wfi s VAL 27 Cb -0.02 -3.03 0.28 0.00 0.56 0.00 0.00 36.38 34.17 1wfi s VAL 27 CO -0.01 -0.24 1.22 -1.20 -0.31 0.00 0.00 175.10 174.56 1wfi n SER 28 N -1.13 2.86 -3.43 4.85 7.64 -1.26 -5.02 113.62 118.13 1wfi n SER 28 Ca -0.04 -2.35 -0.21 0.00 1.01 0.00 0.00 58.87 57.28 1wfi n SER 28 Cb 0.60 -0.27 -0.08 0.00 -1.01 0.00 0.00 64.21 63.45 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 -1.62 1.78 -0.49 1.43 -0.12 -1.26 -5.12 117.98 112.59 1wfi s PHE 29 Ca 0.23 -1.63 -0.17 0.00 -0.05 0.00 0.00 56.93 55.31 1wfi s PHE 29 Cb 0.16 -0.78 0.07 0.00 -0.63 0.00 0.00 43.02 41.83 1wfi s PHE 29 CO 0.09 -0.80 0.48 1.03 -0.05 0.00 0.00 175.22 175.97 1wfi s ARG 30 N -3.45 3.03 0.07 1.99 0.52 -1.25 -4.59 118.95 115.27 1wfi s ARG 30 Ca 0.38 -1.19 -0.34 0.00 -0.52 0.00 0.00 55.73 54.07 1wfi s ARG 30 Cb 0.02 -4.12 -0.13 0.00 0.52 0.00 0.00 34.95 31.24 1wfi s ARG 30 CO 0.26 -1.10 1.71 1.28 0.02 0.00 0.00 175.30 177.47 1wfi n LEU 31 N 5.56 3.31 -0.06 2.53 4.77 -1.03 -4.88 117.00 127.21 1wfi n LEU 31 Ca -0.10 1.03 -0.20 0.00 -0.03 0.00 0.00 56.01 56.71 1wfi n LEU 31 Cb 0.44 -1.42 -0.13 0.00 -2.33 0.00 0.00 43.42 39.99 1wfi n LEU 31 CO 0.50 -0.16 -0.36 0.11 -1.33 0.00 0.00 177.39 176.15 1wfi h LYS 32 N 7.34 0.09 0.00 3.23 1.57 -1.95 -3.45 116.57 123.39 1wfi h LYS 32 Ca -0.46 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 1wfi h LYS 32 Cb 1.26 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1wfi h LYS 32 CO 0.92 1.07 0.00 0.41 -0.57 0.00 0.00 179.45 181.28 1wfi n GLY 33 N 1.59 0.90 0.00 3.86 0.00 -1.26 -4.96 105.19 105.32 1wfi n GLY 33 Ca -0.26 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.88 1wfi n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wfi n LYS 34 N 0.00 0.01 -0.07 1.61 2.85 -1.26 -3.27 118.16 118.03 1wfi n LYS 34 Ca 0.00 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.32 1wfi n LYS 34 Cb 0.00 -1.51 0.09 0.00 -0.65 0.00 0.00 35.03 32.96 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 -1.53 2.33 -4.71 -5.58 8.00 -1.26 -4.99 116.55 108.82 1wfi n ASP 35 Ca 0.06 -1.67 -0.23 0.00 0.71 0.00 0.00 54.79 53.65 1wfi n ASP 35 Cb 0.34 -0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 41.28 1wfi n ASP 35 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wfi s VAL 36 N -0.98 2.90 -0.04 2.53 1.01 -1.20 -1.49 120.40 123.13 1wfi s VAL 36 Ca 0.17 -1.76 -0.01 0.00 0.00 0.00 0.00 61.98 60.38 1wfi s VAL 36 Cb 0.11 -2.93 0.03 0.00 0.00 0.00 0.00 36.38 33.59 1wfi s VAL 36 CO 0.15 -0.18 0.08 0.54 0.00 0.00 0.00 175.10 175.69 1wfi s VAL 37 N -2.45 -0.09 -0.35 2.92 0.11 -1.26 -4.54 120.40 114.74 1wfi s VAL 37 Ca 0.37 0.26 0.02 0.00 -2.93 0.00 0.00 61.98 59.70 1wfi s VAL 37 Cb -0.02 -0.15 0.15 0.00 -1.53 0.00 0.00 36.38 34.83 1wfi s VAL 37 CO 0.22 0.11 0.33 -0.69 -3.33 0.00 0.00 175.10 171.73 1wfi s VAL 38 N 1.42 -0.26 -0.67 2.04 1.01 -1.24 -2.48 120.40 120.21 1wfi s VAL 38 Ca -0.05 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.68 1wfi s VAL 38 Cb -0.12 -0.81 0.07 0.00 0.00 0.00 0.00 36.38 35.52 1wfi s VAL 38 CO -0.04 -0.64 0.97 -0.62 0.00 0.00 0.00 175.10 174.77 1wfi s ASP 39 N 1.55 6.19 -0.89 3.32 2.15 0.14 -4.94 116.67 124.20 1wfi s ASP 39 Ca 0.16 -1.05 -0.17 0.00 0.43 0.00 0.00 52.55 51.91 1wfi s ASP 39 Cb -0.16 -2.41 0.17 0.00 -0.30 0.00 0.00 42.92 40.21 1wfi s ASP 39 CO -0.09 -1.42 0.98 -0.63 -0.17 0.00 0.00 175.17 173.85 1wfi s ILE 40 N 3.97 5.09 0.48 4.11 1.01 -1.26 -1.75 121.20 132.85 1wfi s ILE 40 Ca 0.22 -1.95 0.02 0.00 0.00 0.00 0.00 60.65 58.95 1wfi s ILE 40 Cb -0.17 -4.65 0.01 0.00 0.01 0.00 0.00 42.46 37.67 1wfi s ILE 40 CO 0.09 -1.31 0.69 -1.10 0.00 0.00 0.00 174.94 173.31 1wfi s GLN 41 N 1.65 2.79 0.19 2.79 1.11 0.21 -4.81 119.66 123.59 1wfi s GLN 41 Ca 0.27 -0.77 -0.12 0.00 0.01 0.00 0.00 55.36 54.75 1wfi s GLN 41 Cb -0.07 -2.58 0.21 0.00 -1.01 0.00 0.00 33.01 29.56 1wfi s GLN 41 CO -0.09 -0.45 1.74 -0.09 0.01 0.00 0.00 175.29 176.41 1wfi h ARG 42 N 0.32 0.35 -1.20 2.91 9.65 -1.95 -3.21 114.38 121.24 1wfi h ARG 42 Ca -0.43 -0.02 -0.42 0.00 -1.10 0.00 0.00 59.98 58.01 1wfi h ARG 42 Cb 1.28 -0.08 -0.40 0.00 -1.39 0.00 0.00 29.97 29.37 1wfi h ARG 42 CO 0.53 0.23 -1.09 -2.13 2.80 0.00 0.00 179.97 180.30 1wfi n ARG 43 N -5.01 1.63 -3.65 0.20 0.63 -1.26 0.12 116.66 109.32 1wfi n ARG 43 Ca 0.06 -3.54 -0.03 0.00 -0.92 0.00 0.00 57.85 53.42 1wfi n ARG 43 Cb 0.23 -1.49 -0.07 0.00 0.45 0.00 0.00 32.46 31.58 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 -3.16 -0.36 -0.17 -0.14 2.46 -1.21 -3.51 115.29 109.20 1wfi s HIS 44 Ca 0.33 0.76 -0.03 0.00 0.47 0.00 0.00 55.06 56.59 1wfi s HIS 44 Cb 0.44 0.30 0.05 0.00 -0.13 0.00 0.00 32.58 33.24 1wfi s HIS 44 CO -0.02 -0.18 0.03 -1.17 -2.47 0.00 0.00 174.74 170.94 1wfi s LEU 45 N 0.86 0.99 -0.22 8.88 2.96 -1.20 0.64 118.68 131.60 1wfi s LEU 45 Ca -0.04 -0.64 0.01 0.00 -0.22 0.00 0.00 54.13 53.24 1wfi s LEU 45 Cb -0.04 -0.54 0.03 0.00 0.50 0.00 0.00 46.19 46.15 1wfi s LEU 45 CO -0.12 -0.28 -0.14 -0.60 -1.32 0.00 0.00 176.35 173.88 1wfi s ARG 46 N 1.90 2.73 -0.08 1.98 3.52 -0.72 -3.38 118.95 124.90 1wfi s ARG 46 Ca 0.01 -1.02 -0.01 0.00 -0.13 0.00 0.00 55.73 54.57 1wfi s ARG 46 Cb -0.16 -2.75 0.03 0.00 -1.56 0.00 0.00 34.95 30.50 1wfi s ARG 46 CO -0.07 -0.36 -0.01 0.08 -0.81 0.00 0.00 175.30 174.12 1wfi s VAL 47 N 1.24 0.51 -0.36 7.11 1.01 0.52 0.29 120.40 130.70 1wfi s VAL 47 Ca -0.00 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1wfi s VAL 47 Cb -0.16 -0.63 0.19 0.00 0.00 0.00 0.00 36.38 35.77 1wfi s VAL 47 CO -0.09 0.28 0.74 -0.83 0.00 0.00 0.00 175.10 175.21 1wfi s GLY 48 N 1.92 -1.30 -0.01 4.51 0.00 -1.03 -0.41 107.32 111.00 1wfi s GLY 48 Ca 0.05 0.76 -0.00 0.00 0.00 0.00 0.00 44.72 45.52 1wfi s GLY 48 CO -0.06 3.84 0.02 1.04 0.00 0.00 0.00 173.10 177.94 1wfi n LEU 49 N 4.52 0.01 -3.97 0.66 4.77 -1.26 -4.29 117.00 117.44 1wfi n LEU 49 Ca 0.09 0.01 -0.57 0.00 -0.03 0.00 0.00 56.01 55.51 1wfi n LEU 49 Cb 0.58 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.57 1wfi n LEU 49 CO -0.04 -0.01 1.08 0.29 -1.33 0.00 0.00 177.39 177.38 1wfi n LYS 50 N 0.06 0.00 0.00 3.23 5.02 -0.55 0.30 118.16 126.22 1wfi n LYS 50 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wfi n LYS 50 Cb -0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1wfi n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wfi n GLY 51 N 4.02 2.93 4.01 0.72 0.00 -1.26 -4.90 105.19 110.72 1wfi n GLY 51 Ca 0.31 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.26 2.82 0.22 1.61 -0.21 0.86 -5.08 119.66 119.62 1wfi s GLN 52 Ca 0.00 -1.24 -0.30 0.00 0.02 0.00 0.00 55.36 53.84 1wfi s GLN 52 Cb 0.00 -2.76 -0.08 0.00 1.00 0.00 0.00 33.01 31.17 1wfi s GLN 52 CO 0.00 -0.29 1.10 -1.25 -2.12 0.00 0.00 175.29 172.73 1wfi s PRO 53 N -4.36 4.62 -0.33 2.91 0.04 -1.26 -4.42 135.00 132.19 1wfi s PRO 53 Ca 0.55 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 63.06 1wfi s PRO 53 Cb -0.10 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1wfi s PRO 53 CO 0.33 0.14 1.37 -1.25 0.04 0.00 0.00 177.00 177.62 1wfi s PRO 54 N -0.83 3.79 0.30 0.56 0.04 -1.26 -4.48 135.00 133.12 1wfi s PRO 54 Ca 0.47 1.18 0.05 0.00 0.04 0.00 0.00 61.00 62.74 1wfi s PRO 54 Cb -0.31 -3.94 0.49 0.00 0.04 0.00 0.00 34.50 30.78 1wfi s PRO 54 CO 0.37 -1.29 1.74 0.28 0.04 0.00 0.00 177.00 178.15 1wfi h VAL 55 N 6.15 1.27 -3.69 -0.36 2.07 -1.11 -3.39 116.25 117.18 1wfi h VAL 55 Ca -0.27 -1.30 -0.69 0.00 0.82 0.00 0.00 66.70 65.26 1wfi h VAL 55 Cb 1.10 1.47 -0.31 0.00 -1.52 0.00 0.00 31.29 32.04 1wfi h VAL 55 CO 1.05 0.40 -0.64 -0.69 0.02 0.00 0.00 177.57 177.71 1wfi s VAL 56 N -4.38 3.35 -0.25 2.57 1.01 -1.05 -4.99 120.40 116.66 1wfi s VAL 56 Ca -0.06 -1.37 -0.03 0.00 0.00 0.00 0.00 61.98 60.52 1wfi s VAL 56 Cb 0.14 -2.96 0.14 0.00 0.00 0.00 0.00 36.38 33.70 1wfi s VAL 56 CO 0.77 -0.21 0.41 1.51 0.00 0.00 0.00 175.10 177.58 1wfi s ASP 57 N 1.40 -0.02 0.00 3.32 1.47 -1.22 -0.36 116.67 121.26 1wfi s ASP 57 Ca -0.02 0.38 0.00 0.00 1.18 0.00 0.00 52.55 54.09 1wfi s ASP 57 Cb -0.20 1.28 0.00 0.00 -0.34 0.00 0.00 42.92 43.66 1wfi s ASP 57 CO 0.00 -0.29 0.00 0.61 0.68 0.00 0.00 175.17 176.17 1wfi n GLY 58 N 5.38 0.27 3.62 2.12 0.00 -1.24 -4.18 105.19 111.14 1wfi n GLY 58 Ca -0.04 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 4.01 1.08 1.61 2.12 -1.26 -3.21 118.70 121.05 1wfi s GLU 59 Ca 0.00 0.58 -0.18 0.00 0.36 0.00 0.00 54.97 55.73 1wfi s GLU 59 Cb 0.00 -3.70 0.07 0.00 0.26 0.00 0.00 34.13 30.76 1wfi s GLU 59 CO 0.00 -0.60 -0.04 1.28 -0.54 0.00 0.00 175.26 175.36 1wfi n LEU 60 N 6.05 -2.08 0.11 2.70 4.77 -1.23 0.97 117.00 128.28 1wfi n LEU 60 Ca 0.03 -0.04 0.01 0.00 -0.03 0.00 0.00 56.01 55.98 1wfi n LEU 60 Cb 0.48 -0.97 0.35 0.00 -2.33 0.00 0.00 43.42 40.96 1wfi n LEU 60 CO 0.48 -3.20 0.84 0.22 -1.33 0.00 0.00 177.39 174.41 1wfi h TYR 61 N -1.90 0.27 -2.04 -1.77 5.03 -1.75 -3.37 116.97 111.44 1wfi h TYR 61 Ca -0.51 -0.04 0.05 0.00 2.58 0.00 0.00 58.73 60.82 1wfi h TYR 61 Cb 1.35 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.55 1wfi h TYR 61 CO 0.18 0.43 0.23 -1.71 -1.32 0.00 0.00 178.16 175.97 1wfi n ASN 62 N -4.23 -0.75 -4.77 -2.11 2.85 -1.26 -4.98 115.26 100.02 1wfi n ASN 62 Ca -0.01 -1.41 -0.39 0.00 -0.11 0.00 0.00 54.58 52.65 1wfi n ASN 62 Cb 0.31 1.22 -0.01 0.00 1.24 0.00 0.00 39.78 42.54 1wfi n ASN 62 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1wfi s GLU 63 N -2.02 4.11 -0.02 1.20 2.02 -1.26 -4.48 118.70 118.26 1wfi s GLU 63 Ca 0.09 2.06 0.01 0.00 0.02 0.00 0.00 54.97 57.15 1wfi s GLU 63 Cb -0.01 -2.83 0.02 0.00 0.10 0.00 0.00 34.13 31.41 1wfi s GLU 63 CO 0.03 -0.34 -0.01 0.14 0.02 0.00 0.00 175.26 175.10 1wfi s VAL 64 N -1.27 0.18 -0.57 2.63 -7.23 0.12 -3.42 120.40 110.84 1wfi s VAL 64 Ca 0.54 0.02 -0.27 0.00 -1.81 0.00 0.00 61.98 60.47 1wfi s VAL 64 Cb -0.36 -0.23 -0.09 0.00 0.56 0.00 0.00 36.38 36.25 1wfi s VAL 64 CO 0.46 0.11 2.46 1.17 -0.31 0.00 0.00 175.10 179.00 1wfi n LYS 65 N 3.74 0.88 0.10 4.82 4.81 0.51 -4.38 118.16 128.64 1wfi n LYS 65 Ca -0.22 -0.01 -0.05 0.00 -0.87 0.00 0.00 58.31 57.16 1wfi n LYS 65 Cb 0.53 -3.16 0.04 0.00 0.02 0.00 0.00 35.03 32.46 1wfi n LYS 65 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1wfi h VAL 66 N 7.75 1.54 0.00 3.15 -1.51 -1.87 -2.60 116.25 122.71 1wfi h VAL 66 Ca -0.21 -2.63 0.00 0.00 -1.23 0.00 0.00 66.70 62.63 1wfi h VAL 66 Cb 1.28 2.43 0.00 0.00 -2.13 0.00 0.00 31.29 32.86 1wfi h VAL 66 CO 1.19 0.75 0.00 -0.33 -1.23 0.00 0.00 177.57 177.96 1wfi h GLU 67 N 0.03 0.00 -0.01 5.19 4.39 -1.92 0.14 114.58 122.40 1wfi h GLU 67 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1wfi h GLU 67 Cb 1.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1wfi h GLU 67 CO 0.11 0.00 -0.22 0.39 -1.16 0.00 0.00 179.01 178.13 1wfi n GLU 68 N -2.74 1.89 -2.34 2.33 1.02 -1.09 -5.00 120.64 114.71 1wfi n GLU 68 Ca -0.02 -0.69 -0.32 0.00 -0.02 0.00 0.00 57.16 56.11 1wfi n GLU 68 Cb 0.08 -1.13 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 1wfi n GLU 68 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wfi s SER 69 N -1.43 6.57 -0.27 1.62 0.01 0.50 -4.85 113.70 115.84 1wfi s SER 69 Ca 0.10 1.56 -0.26 0.00 1.31 0.00 0.00 55.95 58.66 1wfi s SER 69 Cb 0.09 -2.51 0.12 0.00 0.21 0.00 0.00 66.02 63.94 1wfi s SER 69 CO 0.27 -0.63 1.01 -0.94 0.41 0.00 0.00 173.24 173.37 1wfi s SER 70 N -3.18 -0.46 0.31 2.44 1.04 -1.06 -4.99 113.70 107.81 1wfi s SER 70 Ca 0.59 0.85 0.11 0.00 0.48 0.00 0.00 55.95 57.97 1wfi s SER 70 Cb -0.10 0.85 -0.06 0.00 0.10 0.00 0.00 66.02 66.81 1wfi s SER 70 CO 0.34 -0.18 -0.14 -1.66 0.98 0.00 0.00 173.24 172.58 1wfi s TRP 71 N 0.10 2.36 0.08 5.02 1.48 -1.26 -1.51 118.94 125.22 1wfi s TRP 71 Ca 0.02 -0.39 -0.24 0.00 -1.06 0.00 0.00 56.10 54.44 1wfi s TRP 71 Cb -0.05 -1.17 0.06 0.00 -1.16 0.00 0.00 33.47 31.15 1wfi s TRP 71 CO -0.05 0.65 0.57 -0.48 -4.06 0.00 0.00 176.95 173.58 1wfi s LEU 72 N -3.57 -0.33 -0.19 -4.66 0.05 -0.10 -4.98 118.68 104.90 1wfi s LEU 72 Ca 0.31 0.15 -0.17 0.00 0.05 0.00 0.00 54.13 54.47 1wfi s LEU 72 Cb -0.02 2.36 -0.04 0.00 -2.05 0.00 0.00 46.19 46.45 1wfi s LEU 72 CO 0.16 -0.81 0.47 -0.63 -0.55 0.00 0.00 176.35 174.99 1wfi s ILE 73 N -2.88 5.15 -0.12 1.48 1.01 -1.26 -0.03 121.20 124.55 1wfi s ILE 73 Ca -0.03 0.87 -0.05 0.00 0.00 0.00 0.00 60.65 61.44 1wfi s ILE 73 Cb -0.00 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1wfi s ILE 73 CO -0.05 0.23 0.07 -1.61 0.00 0.00 0.00 174.94 173.58 1wfi s GLU 74 N 1.35 3.39 -1.23 2.79 0.41 0.51 -4.22 118.70 121.71 1wfi s GLU 74 Ca 0.23 -0.27 0.00 0.00 -0.41 0.00 0.00 54.97 54.51 1wfi s GLU 74 Cb -0.15 -3.06 0.00 0.00 -1.78 0.00 0.00 34.13 29.14 1wfi s GLU 74 CO 0.09 0.65 0.00 -3.47 -0.49 0.00 0.00 175.26 172.04 1wfi n ASP 75 N 2.37 -5.66 -3.67 -0.19 -0.08 -1.26 0.35 116.55 108.40 1wfi n ASP 75 Ca -0.19 0.29 -0.24 0.00 -1.51 0.00 0.00 54.79 53.14 1wfi n ASP 75 Cb 0.54 -4.19 0.06 0.00 2.34 0.00 0.00 41.12 39.87 1wfi n ASP 75 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wfi n GLY 76 N 0.13 -0.45 0.59 0.27 0.00 -1.26 -4.64 105.19 99.83 1wfi n GLY 76 Ca -0.12 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.62 0.00 -2.78 1.61 2.85 -0.71 -2.45 118.16 112.07 1wfi n LYS 77 Ca -0.10 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.84 1wfi n LYS 77 Cb 0.59 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.92 1wfi n LYS 77 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1wfi s VAL 78 N -1.50 4.51 -0.08 0.58 1.01 0.16 -3.73 120.40 121.34 1wfi s VAL 78 Ca 0.00 1.26 0.03 0.00 0.00 0.00 0.00 61.98 63.27 1wfi s VAL 78 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1wfi s VAL 78 CO 0.00 -0.40 -0.19 -0.69 0.00 0.00 0.00 175.10 173.82 1wfi s VAL 79 N -2.27 2.61 -0.02 2.92 1.01 0.10 0.19 120.40 124.95 1wfi s VAL 79 Ca 0.59 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1wfi s VAL 79 Cb -0.10 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1wfi s VAL 79 CO 0.20 0.56 -0.23 0.42 0.00 0.00 0.00 175.10 176.05 1wfi s THR 80 N -0.10 1.82 0.06 3.92 -4.23 0.96 0.19 115.64 118.27 1wfi s THR 80 Ca -0.04 -0.98 0.08 0.00 -1.18 0.00 0.00 61.69 59.57 1wfi s THR 80 Cb -0.14 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.15 1wfi s THR 80 CO 0.04 0.52 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.72 1wfi s VAL 81 N -0.48 1.82 -0.29 2.29 1.01 0.70 -0.93 120.40 124.52 1wfi s VAL 81 Ca 0.07 -1.36 -0.00 0.00 0.00 0.00 0.00 61.98 60.69 1wfi s VAL 81 Cb -0.09 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 34.78 1wfi s VAL 81 CO -0.00 0.17 0.07 -2.28 0.00 0.00 0.00 175.10 173.06 1wfi s HIS 82 N -0.90 1.89 0.10 5.22 5.04 -0.57 -1.59 115.29 124.49 1wfi s HIS 82 Ca 0.09 -1.77 -0.01 0.00 -1.54 0.00 0.00 55.06 51.83 1wfi s HIS 82 Cb -0.09 -1.75 -0.04 0.00 0.04 0.00 0.00 32.58 30.74 1wfi s HIS 82 CO 0.03 -0.85 0.27 -0.51 -2.34 0.00 0.00 174.74 171.34 1wfi s LEU 83 N 1.55 4.33 -0.09 8.88 2.01 -0.51 -2.56 118.68 132.29 1wfi s LEU 83 Ca 0.07 0.34 0.01 0.00 0.01 0.00 0.00 54.13 54.57 1wfi s LEU 83 Cb -0.18 -3.05 0.02 0.00 0.01 0.00 0.00 46.19 42.99 1wfi s LEU 83 CO -0.20 0.12 -0.12 -1.61 1.01 0.00 0.00 176.35 175.54 1wfi s GLU 84 N -2.67 1.85 0.62 1.70 2.02 -1.26 0.97 118.70 121.94 1wfi s GLU 84 Ca 0.37 -0.43 -0.16 0.00 0.02 0.00 0.00 54.97 54.76 1wfi s GLU 84 Cb -0.12 -1.63 -0.02 0.00 0.10 0.00 0.00 34.13 32.46 1wfi s GLU 84 CO 0.27 -0.08 1.11 0.15 0.02 0.00 0.00 175.26 176.74 1wfi s LYS 85 N 1.04 2.99 0.12 1.61 1.02 -1.11 0.19 119.74 125.60 1wfi s LYS 85 Ca -0.07 1.43 0.03 0.00 0.02 0.00 0.00 55.97 57.38 1wfi s LYS 85 Cb -0.15 -1.97 -0.18 0.00 -0.52 0.00 0.00 37.83 35.01 1wfi s LYS 85 CO -0.01 -1.11 1.26 0.82 -0.92 0.00 0.00 175.35 175.39 1wfi h ILE 86 N 0.37 1.61 0.01 2.17 1.08 -1.91 -3.37 117.51 117.47 1wfi h ILE 86 Ca -0.48 -3.15 -0.38 0.00 -0.39 0.00 0.00 64.86 60.47 1wfi h ILE 86 Cb 1.25 2.80 -0.06 0.00 -3.07 0.00 0.00 36.82 37.74 1wfi h ILE 86 CO 0.55 0.91 -2.11 0.59 -0.69 0.00 0.00 178.15 177.40 1wfi n ASN 87 N -3.47 1.94 -2.63 1.72 3.02 -1.26 -5.03 115.26 109.55 1wfi n ASN 87 Ca -0.03 0.30 -0.08 0.00 -0.03 0.00 0.00 54.58 54.74 1wfi n ASN 87 Cb 0.93 -0.82 0.04 0.00 -0.61 0.00 0.00 39.78 39.32 1wfi n ASN 87 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wfi n LYS 88 N -4.15 -1.39 0.00 3.52 5.02 -1.26 -4.91 118.16 115.00 1wfi n LYS 88 Ca -0.45 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1wfi n LYS 88 Cb 0.85 -4.34 0.00 0.00 -0.02 0.00 0.00 35.03 31.52 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 -2.48 0.00 -1.89 1.97 0.00 -1.10 -4.64 117.12 108.99 1wfi n MET 89 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.32 1wfi n MET 89 Cb 0.57 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.83 1wfi n MET 89 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1wfi s GLU 90 N -1.25 2.89 -0.23 3.17 1.03 -1.26 -4.89 118.70 118.16 1wfi s GLU 90 Ca 0.00 1.55 -0.09 0.00 0.03 0.00 0.00 54.97 56.47 1wfi s GLU 90 Cb 0.00 -1.95 -0.04 0.00 -0.80 0.00 0.00 34.13 31.34 1wfi s GLU 90 CO 0.00 -1.21 0.11 -0.46 -1.33 0.00 0.00 175.26 172.37 1wfi s TRP 91 N -2.04 3.20 0.31 4.83 -0.11 -1.26 -4.70 118.94 119.18 1wfi s TRP 91 Ca 0.71 -0.04 -0.27 0.00 1.22 0.00 0.00 56.10 57.71 1wfi s TRP 91 Cb -0.24 -2.22 -0.09 0.00 -1.50 0.00 0.00 33.47 29.42 1wfi s TRP 91 CO 0.37 -0.08 0.99 -1.58 -4.62 0.00 0.00 176.95 172.03 1wfi s TRP 92 N 1.14 3.65 -1.83 5.86 0.52 -1.26 -4.94 118.94 122.08 1wfi s TRP 92 Ca 0.05 1.77 0.16 0.00 0.02 0.00 0.00 56.10 58.10 1wfi s TRP 92 Cb -0.14 -3.03 0.18 0.00 -1.15 0.00 0.00 33.47 29.33 1wfi s TRP 92 CO 0.04 -0.03 1.06 -1.71 0.02 0.00 0.00 176.95 176.34 1wfi n ASN 93 N 0.73 2.49 -3.61 2.95 2.85 -1.26 -4.99 115.26 114.41 1wfi n ASN 93 Ca 0.01 -1.72 -0.05 0.00 -0.11 0.00 0.00 54.58 52.72 1wfi n ASN 93 Cb 0.48 -0.06 -0.04 0.00 1.24 0.00 0.00 39.78 41.41 1wfi n ASN 93 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wfi s ARG 94 N -1.25 0.27 0.01 1.20 1.04 -1.26 -5.06 118.95 113.90 1wfi s ARG 94 Ca 0.21 0.00 -0.26 0.00 -1.04 0.00 0.00 55.73 54.64 1wfi s ARG 94 Cb 0.14 0.13 -0.16 0.00 -2.04 0.00 0.00 34.95 33.01 1wfi s ARG 94 CO 0.20 -0.10 1.20 1.25 -0.04 0.00 0.00 175.30 177.82 1wfi h LEU 95 N 2.15 -0.53 -8.81 -1.89 7.12 -1.96 -3.41 115.31 107.98 1wfi h LEU 95 Ca -0.11 -0.08 -0.67 0.00 0.13 0.00 0.00 57.88 57.15 1wfi h LEU 95 Cb 1.17 0.14 -0.23 0.00 -0.53 0.00 0.00 40.66 41.21 1wfi h LEU 95 CO 0.24 -0.18 -0.87 0.68 -0.13 0.00 0.00 178.44 178.19 1wfi s VAL 96 N -4.73 2.12 0.25 1.05 -7.23 -1.26 -2.85 120.40 107.75 1wfi s VAL 96 Ca -0.14 -1.61 0.08 0.00 -1.81 0.00 0.00 61.98 58.50 1wfi s VAL 96 Cb 0.02 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 1wfi s VAL 96 CO 0.50 0.14 1.58 0.71 -0.31 0.00 0.00 175.10 177.72 1wfi h THR 97 N 4.02 1.43 -3.51 5.32 1.35 0.44 -3.38 112.91 118.58 1wfi h THR 97 Ca -0.49 -2.13 -0.67 0.00 -0.55 0.00 0.00 66.41 62.58 1wfi h THR 97 Cb 1.16 2.13 -0.39 0.00 -1.73 0.00 0.00 68.15 69.33 1wfi h THR 97 CO 0.40 0.61 -0.59 -0.94 -0.25 0.00 0.00 175.52 174.76 1wfi s SER 98 N -6.86 4.76 0.34 5.36 1.04 -1.26 -5.01 113.70 112.08 1wfi s SER 98 Ca -0.02 -2.62 -0.29 0.00 0.48 0.00 0.00 55.95 53.51 1wfi s SER 98 Cb 0.12 -1.71 -0.10 0.00 0.10 0.00 0.00 66.02 64.43 1wfi s SER 98 CO 0.78 -0.34 1.35 1.51 0.98 0.00 0.00 173.24 177.51 1wfi s ASP 99 N 0.53 6.68 0.00 7.02 1.47 -1.26 -4.44 116.67 126.67 1wfi s ASP 99 Ca 0.14 2.77 0.00 0.00 1.18 0.00 0.00 52.55 56.64 1wfi s ASP 99 Cb -0.22 -2.65 0.00 0.00 -0.34 0.00 0.00 42.92 39.70 1wfi s ASP 99 CO -0.03 -0.61 0.01 -0.81 0.68 0.00 0.00 175.17 174.40 1wfi n PRO 100 N 0.73 0.00 -0.11 2.11 -0.04 -1.26 -4.85 135.00 131.57 1wfi n PRO 100 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1wfi n PRO 100 Cb 0.41 -0.15 -0.11 0.00 -0.04 0.00 0.00 33.50 33.61 1wfi n PRO 100 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wfi n GLU 101 N -0.03 0.64 -4.45 0.54 0.28 -1.26 -5.01 120.64 111.36 1wfi n GLU 101 Ca 0.00 0.11 -0.24 0.00 -0.16 0.00 0.00 57.16 56.87 1wfi n GLU 101 Cb 0.00 -1.45 -0.10 0.00 1.43 0.00 0.00 31.44 31.32 1wfi n GLU 101 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1wfi s ILE 102 N -2.45 2.57 0.31 3.84 1.01 -1.26 -5.03 121.20 120.19 1wfi s ILE 102 Ca -0.27 -2.31 0.00 0.00 0.00 0.00 0.00 60.65 58.06 1wfi s ILE 102 Cb 0.07 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 40.12 1wfi s ILE 102 CO 0.55 -0.37 0.00 -3.20 0.00 0.00 0.00 174.94 171.92 1wfi n ASN 103 N -0.68 -2.13 -4.40 3.58 5.15 -1.26 -4.77 115.26 110.75 1wfi n ASN 103 Ca -0.05 0.59 -0.30 0.00 -0.60 0.00 0.00 54.58 54.22 1wfi n ASN 103 Cb 0.60 2.11 -0.13 0.00 -0.53 0.00 0.00 39.78 41.83 1wfi n ASN 103 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1wfi s THR 104 N -1.74 2.36 -0.20 -0.44 -4.23 -1.26 -4.58 115.64 105.56 1wfi s THR 104 Ca 0.00 -1.52 -0.17 0.00 -1.18 0.00 0.00 61.69 58.82 1wfi s THR 104 Cb 0.00 -2.00 0.05 0.00 1.34 0.00 0.00 72.50 71.89 1wfi s THR 104 CO 0.00 0.22 0.52 -0.54 -0.54 0.00 0.00 174.62 174.28 1wfi s LYS 105 N -1.70 0.59 0.39 3.99 1.02 -1.26 -4.94 119.74 117.82 1wfi s LYS 105 Ca 0.14 0.76 -0.22 0.00 0.02 0.00 0.00 55.97 56.66 1wfi s LYS 105 Cb -0.10 0.25 -0.14 0.00 -0.52 0.00 0.00 37.83 37.31 1wfi s LYS 105 CO 0.05 -0.09 0.36 1.63 -0.92 0.00 0.00 175.35 176.38 1wfi n LYS 106 N 3.06 0.29 -0.02 1.68 4.01 -1.26 -4.47 118.16 121.45 1wfi n LYS 106 Ca -0.15 0.11 -0.09 0.00 -0.51 0.00 0.00 58.31 57.67 1wfi n LYS 106 Cb 0.56 -1.25 -0.06 0.00 -0.51 0.00 0.00 35.03 33.77 1wfi n LYS 106 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 1wfi h ILE 107 N 0.63 0.00 -3.78 -0.18 5.03 -1.93 -3.40 117.51 113.88 1wfi h ILE 107 Ca -0.38 0.00 -0.25 0.00 -0.12 0.00 0.00 64.86 64.12 1wfi h ILE 107 Cb 1.42 0.00 -0.28 0.00 -3.03 0.00 0.00 36.82 34.94 1wfi h ILE 107 CO 0.50 0.00 -0.73 0.21 -0.68 0.00 0.00 178.15 177.46 1wfi s ASN 108 N -3.90 0.14 -0.00 1.72 2.47 -1.26 -4.16 114.94 109.93 1wfi s ASN 108 Ca -0.09 -0.05 -0.01 0.00 0.42 0.00 0.00 52.86 53.14 1wfi s ASN 108 Cb 0.04 -0.01 -0.00 0.00 -1.45 0.00 0.00 41.25 39.83 1wfi s ASN 108 CO 0.35 -0.01 0.26 1.55 -3.72 0.00 0.00 177.10 175.53 1wfi h PRO 109 N 6.03 -0.02 -1.22 0.43 0.13 -1.85 -3.47 132.00 132.03 1wfi h PRO 109 Ca -0.25 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1wfi h PRO 109 Cb 1.21 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 1wfi h PRO 109 CO 0.50 -0.02 -0.36 -2.00 -0.23 0.00 0.00 178.00 175.90 1wfi s GLU 110 N -1.59 0.51 0.09 0.86 2.56 -1.26 -5.16 118.70 114.72 1wfi s GLU 110 Ca -0.00 0.74 -0.01 0.00 0.00 0.00 0.00 54.97 55.70 1wfi s GLU 110 Cb 0.00 0.23 -0.04 0.00 2.00 0.00 0.00 34.13 36.32 1wfi s GLU 110 CO 0.01 -0.76 0.01 -0.80 -0.56 0.00 0.00 175.26 173.16 1wfi s ASN 111 N 2.77 0.42 -0.31 -1.70 -0.87 -1.26 -5.02 114.94 108.97 1wfi s ASN 111 Ca 0.16 -1.11 -0.02 0.00 -1.57 0.00 0.00 52.86 50.32 1wfi s ASN 111 Cb -0.14 0.25 0.11 0.00 -0.02 0.00 0.00 41.25 41.44 1wfi s ASN 111 CO -0.22 -0.66 0.13 -0.44 -2.57 0.00 0.00 177.10 173.34 1wfi s SER 112 N -2.99 3.65 0.70 -1.22 0.01 -1.26 -5.13 113.70 107.46 1wfi s SER 112 Ca 0.16 -1.56 -0.02 0.00 1.31 0.00 0.00 55.95 55.83 1wfi s SER 112 Cb 0.08 -0.56 0.10 0.00 0.21 0.00 0.00 66.02 65.85 1wfi s SER 112 CO -0.04 -0.41 0.97 -0.54 0.41 0.00 0.00 173.24 173.63 1wfi s LYS 113 N 1.75 1.86 -0.46 12.44 1.02 -1.26 -5.06 119.74 130.02 1wfi s LYS 113 Ca 0.11 -0.90 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 1wfi s LYS 113 Cb -0.18 -2.31 0.12 0.00 -0.52 0.00 0.00 37.83 34.94 1wfi s LYS 113 CO -0.27 -1.33 0.24 -0.48 -0.92 0.00 0.00 175.35 172.59 1wfi s LEU 114 N -5.12 5.08 -0.80 3.17 2.34 -1.26 -5.01 118.68 117.08 1wfi s LEU 114 Ca 0.64 -2.35 0.00 0.00 0.06 0.00 0.00 54.13 52.49 1wfi s LEU 114 Cb -0.07 -1.78 0.20 0.00 -0.56 0.00 0.00 46.19 43.97 1wfi s LEU 114 CO 0.44 -0.44 0.65 -0.44 -1.06 0.00 0.00 176.35 175.49 1wfi s SER 115 N 1.19 5.52 -0.52 1.48 0.01 -1.26 -4.92 113.70 115.20 1wfi s SER 115 Ca 0.12 -3.67 0.07 0.00 1.31 0.00 0.00 55.95 53.78 1wfi s SER 115 Cb -0.22 -1.81 0.27 0.00 0.21 0.00 0.00 66.02 64.47 1wfi s SER 115 CO -0.04 -0.17 0.69 0.47 0.41 0.00 0.00 173.24 174.60 1wfi n ASP 116 N 2.34 2.35 -4.84 2.44 9.92 -1.26 -5.09 116.55 122.40 1wfi n ASP 116 Ca 0.19 -3.18 -0.32 0.00 -0.53 0.00 0.00 54.79 50.96 1wfi n ASP 116 Cb 0.36 -0.64 -0.02 0.00 -0.64 0.00 0.00 41.12 40.18 1wfi n ASP 116 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1wfi s LEU 117 N -2.16 3.51 -0.00 0.64 -0.00 -1.26 -5.07 118.68 114.33 1wfi s LEU 117 Ca 0.39 1.57 0.06 0.00 -0.00 0.00 0.00 54.13 56.16 1wfi s LEU 117 Cb 0.19 -4.50 -0.02 0.00 -0.00 0.00 0.00 46.19 41.86 1wfi s LEU 117 CO -0.07 -0.75 -0.20 -0.62 -0.00 0.00 0.00 176.35 174.72 1wfi s ASP 118 N -3.28 2.31 0.00 1.48 2.15 -1.26 -5.11 116.67 112.96 1wfi s ASP 118 Ca 0.59 -0.38 0.00 0.00 0.43 0.00 0.00 52.55 53.18 1wfi s ASP 118 Cb -0.11 -0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.26 1wfi s ASP 118 CO 0.37 0.22 0.00 -0.24 -0.17 0.00 0.00 175.17 175.36 1wfi n SER 119 N 2.47 0.00 -3.15 -0.34 2.88 -1.26 -5.15 113.62 109.07 1wfi n SER 119 Ca -0.15 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.43 1wfi n SER 119 Cb 0.53 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1wfi n SER 119 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1wfi s GLU 120 N 0.00 0.39 0.15 -1.46 2.02 -1.26 -5.17 118.70 113.38 1wfi s GLU 120 Ca 0.00 0.50 0.09 0.00 0.02 0.00 0.00 54.97 55.57 1wfi s GLU 120 Cb 0.00 0.25 -0.04 0.00 0.10 0.00 0.00 34.13 34.44 1wfi s GLU 120 CO 0.00 -0.62 -0.19 -0.08 0.02 0.00 0.00 175.26 174.39 1wfi s THR 121 N 2.89 1.83 -0.16 3.63 -1.32 -1.26 -5.14 115.64 116.11 1wfi s THR 121 Ca 0.15 -1.84 -0.35 0.00 -1.21 0.00 0.00 61.69 58.44 1wfi s THR 121 Cb -0.09 -1.80 0.14 0.00 -1.51 0.00 0.00 72.50 69.25 1wfi s THR 121 CO -0.22 -0.24 1.34 -0.13 -2.21 0.00 0.00 174.62 173.16 1wfi s ARG 122 N -2.58 0.16 0.16 7.08 0.52 -1.26 -5.19 118.95 117.84 1wfi s ARG 122 Ca 0.14 -0.07 -0.24 0.00 -0.52 0.00 0.00 55.73 55.04 1wfi s ARG 122 Cb -0.07 0.06 0.06 0.00 0.52 0.00 0.00 34.95 35.53 1wfi s ARG 122 CO 0.06 -0.07 0.72 0.45 0.02 0.00 0.00 175.30 176.48 1wfi s SER 123 N -2.50 -0.42 -0.28 0.23 0.15 -1.26 -5.17 113.70 104.45 1wfi s SER 123 Ca 0.13 -0.19 -0.16 0.00 0.70 0.00 0.00 55.95 56.42 1wfi s SER 123 Cb 0.02 0.58 0.09 0.00 -1.71 0.00 0.00 66.02 65.00 1wfi s SER 123 CO -0.04 -0.99 0.72 -0.32 1.20 0.00 0.00 173.24 173.80 1wfi s MET 124 N -3.63 0.68 -0.30 5.44 1.75 -1.26 -5.15 119.30 116.83 1wfi s MET 124 Ca 0.05 1.17 -0.17 0.00 -1.25 0.00 0.00 55.69 55.49 1wfi s MET 124 Cb -0.02 0.14 0.18 0.00 2.84 0.00 0.00 34.83 37.96 1wfi s MET 124 CO -0.06 -0.14 1.12 0.54 -0.65 0.00 0.00 175.02 175.83 1wfi s VAL 125 N 1.59 -0.24 -0.05 10.11 0.11 -1.26 -5.18 120.40 125.48 1wfi s VAL 125 Ca -0.10 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.66 1wfi s VAL 125 Cb -0.05 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.89 1wfi s VAL 125 CO -0.19 0.00 0.77 -0.55 -3.33 0.00 0.00 175.10 171.80 1wfi s SER 126 N 2.05 -0.54 -0.28 3.54 0.15 -1.26 -5.18 113.70 112.18 1wfi s SER 126 Ca -0.03 0.46 -0.33 0.00 0.70 0.00 0.00 55.95 56.75 1wfi s SER 126 Cb -0.04 0.47 0.17 0.00 -1.71 0.00 0.00 66.02 64.92 1wfi s SER 126 CO -0.16 -0.59 1.35 -0.83 1.20 0.00 0.00 173.24 174.21 1wfi s GLY 127 N -1.52 -0.07 0.70 9.45 0.00 -1.26 -5.18 107.32 109.45 1wfi s GLY 127 Ca -0.05 2.34 -0.12 0.00 0.00 0.00 0.00 44.72 46.89 1wfi s GLY 127 CO 0.03 0.86 0.77 -1.55 0.00 0.00 0.00 173.10 173.21 1wfi n PRO 128 N 0.25 -1.58 -3.88 2.90 -0.04 -1.26 -5.11 135.00 126.29 1wfi n PRO 128 Ca 0.02 -1.21 -0.08 0.00 -0.04 0.00 0.00 63.50 62.18 1wfi n PRO 128 Cb 0.58 -0.95 -0.04 0.00 -0.04 0.00 0.00 33.50 33.05 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 -3.75 -0.20 0.19 3.54 1.04 -1.26 -5.19 113.70 108.08 1wfi s SER 129 Ca 0.47 -0.70 -0.18 0.00 0.48 0.00 0.00 55.95 56.02 1wfi s SER 129 Cb -0.03 0.63 0.03 0.00 0.10 0.00 0.00 66.02 66.76 1wfi s SER 129 CO 0.34 -1.19 0.52 -0.94 0.98 0.00 0.00 173.24 172.95 1wfi s SER 130 N -2.95 -0.27 0.00 7.02 1.04 -1.26 -5.38 113.70 111.90 1wfi s SER 130 Ca 0.15 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1wfi s SER 130 Cb -0.03 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1wfi s SER 130 CO 0.05 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.85