#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 -1.00 -0.49 1.61 0.01 -1.26 -5.11 113.70 107.46 1wfi s SER 2 Ca 0.00 1.25 -0.45 0.00 1.31 0.00 0.00 55.95 58.07 1wfi s SER 2 Cb 0.00 2.09 -0.19 0.00 0.21 0.00 0.00 66.02 68.13 1wfi s SER 2 CO 0.00 -0.19 1.80 -1.54 0.41 0.00 0.00 173.24 173.71 1wfi n SER 3 N 5.33 0.99 -4.57 2.44 3.41 -1.26 -4.71 113.62 115.24 1wfi n SER 3 Ca -0.10 0.95 -0.28 0.00 -0.26 0.00 0.00 58.87 59.18 1wfi n SER 3 Cb 0.50 -0.87 -0.05 0.00 -0.26 0.00 0.00 64.21 63.53 1wfi n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wfi s GLY 4 N 4.22 0.23 -0.11 5.00 0.00 -1.26 -4.83 107.32 110.57 1wfi s GLY 4 Ca 1.09 -1.79 -0.30 0.00 0.00 0.00 0.00 44.72 43.71 1wfi s GLY 4 CO 0.73 3.48 0.80 -0.45 0.00 0.00 0.00 173.10 177.66 1wfi s SER 5 N 7.31 -0.56 0.41 1.64 0.15 -1.26 -5.14 113.70 116.24 1wfi s SER 5 Ca 0.69 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1wfi s SER 5 Cb -0.04 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1wfi s SER 5 CO 0.04 -0.49 0.00 -1.20 1.20 0.00 0.00 173.24 172.80 1wfi n SER 6 N 0.99 -6.91 0.00 5.45 7.64 -1.26 -5.07 113.62 114.46 1wfi n SER 6 Ca -0.16 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1wfi n SER 6 Cb 0.57 -4.11 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 1wfi n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfi n GLY 7 N -3.88 -1.21 0.00 0.23 0.00 -1.26 -5.09 105.19 93.98 1wfi n GLY 7 Ca -0.04 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 0.65 0.16 1.61 -0.04 -1.26 -4.84 135.00 131.28 1wfi n PRO 8 Ca 0.00 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.65 1wfi n PRO 8 Cb 0.00 0.00 0.78 0.00 -0.04 0.00 0.00 33.50 34.24 1wfi n PRO 8 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1wfi h ASN 9 N -0.12 0.00 -4.68 3.54 2.35 -1.96 -3.43 115.58 111.29 1wfi h ASN 9 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1wfi h ASN 9 Cb 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.22 1wfi h ASN 9 CO 0.00 0.00 0.46 -0.72 -1.65 0.00 0.00 177.43 175.52 1wfi s TYR 10 N -4.54 -0.37 0.06 1.19 1.13 -1.26 -4.76 117.35 108.81 1wfi s TYR 10 Ca -0.04 0.23 -0.03 0.00 -1.41 0.00 0.00 57.07 55.82 1wfi s TYR 10 Cb 0.14 0.54 -0.05 0.00 -1.10 0.00 0.00 41.96 41.50 1wfi s TYR 10 CO 0.50 -0.58 0.26 -0.98 -2.51 0.00 0.00 175.55 172.24 1wfi s ARG 11 N -3.18 3.51 -0.26 -3.49 1.04 -0.68 -4.99 118.95 110.90 1wfi s ARG 11 Ca 0.04 -0.27 -0.19 0.00 -1.04 0.00 0.00 55.73 54.27 1wfi s ARG 11 Cb -0.01 -3.00 0.07 0.00 -2.04 0.00 0.00 34.95 29.97 1wfi s ARG 11 CO -0.09 0.59 0.67 1.67 -0.04 0.00 0.00 175.30 178.09 1wfi s TRP 12 N -1.49 -0.89 0.00 5.89 1.48 -1.26 -0.75 118.94 121.92 1wfi s TRP 12 Ca 0.34 1.95 0.00 0.00 -1.06 0.00 0.00 56.10 57.33 1wfi s TRP 12 Cb -0.13 0.44 0.00 0.00 -1.16 0.00 0.00 33.47 32.62 1wfi s TRP 12 CO 0.24 -0.44 0.00 0.25 -4.06 0.00 0.00 176.95 172.94 1wfi n THR 13 N 3.56 0.00 0.00 0.66 -2.24 0.20 -4.98 114.28 111.47 1wfi n THR 13 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1wfi n THR 13 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1wfi n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfi n GLN 14 N 0.00 0.00 -2.89 -0.78 0.00 -1.26 -1.75 117.38 110.69 1wfi n GLN 14 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.00 56.80 1wfi n GLN 14 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 1wfi n GLN 14 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1wfi n THR 15 N -0.01 1.35 -3.30 -0.39 5.66 -0.94 -4.92 114.28 111.73 1wfi n THR 15 Ca 0.00 -4.58 -0.17 0.00 -3.05 0.00 0.00 64.05 56.25 1wfi n THR 15 Cb 0.00 -0.52 -0.03 0.00 -1.55 0.00 0.00 70.33 68.23 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 -0.06 -0.34 0.02 1.09 7.99 -1.26 -4.20 117.00 120.25 1wfi n LEU 16 Ca 0.25 -0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 1wfi n LEU 16 Cb 0.62 -1.22 0.00 0.00 -0.11 0.00 0.00 43.42 42.71 1wfi n LEU 16 CO 0.28 0.04 0.00 0.00 -1.51 0.00 0.00 177.39 176.20 1wfi n ALA 17 N -3.09 0.03 -2.20 -1.18 0.00 -1.26 0.15 120.51 112.96 1wfi n ALA 17 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 1wfi n ALA 17 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.07 2.47 -0.01 0.00 4.04 -1.26 -2.20 118.70 120.66 1wfi s GLU 18 Ca 0.00 -1.63 0.06 0.00 0.04 0.00 0.00 54.97 53.44 1wfi s GLU 18 Cb 0.00 -2.41 -0.01 0.00 0.02 0.00 0.00 34.13 31.73 1wfi s GLU 18 CO 0.00 -0.42 -0.18 -0.51 -1.84 0.00 0.00 175.26 172.31 1wfi s LEU 19 N -4.29 2.04 -0.09 1.83 1.43 0.52 -2.21 118.68 117.92 1wfi s LEU 19 Ca 0.48 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1wfi s LEU 19 Cb -0.04 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 45.27 1wfi s LEU 19 CO 0.29 0.21 -0.16 -1.81 0.23 0.00 0.00 176.35 175.12 1wfi s ASP 20 N -0.47 2.28 0.02 2.29 1.01 -0.72 -0.74 116.67 120.34 1wfi s ASP 20 Ca 0.07 -0.40 0.04 0.00 0.71 0.00 0.00 52.55 52.97 1wfi s ASP 20 Cb -0.07 -1.04 -0.02 0.00 1.01 0.00 0.00 42.92 42.81 1wfi s ASP 20 CO -0.01 0.05 -0.12 -0.22 0.21 0.00 0.00 175.17 175.09 1wfi s LEU 21 N 0.71 2.11 -0.08 1.23 1.98 0.16 0.61 118.68 125.39 1wfi s LEU 21 Ca -0.13 -0.34 -0.04 0.00 -2.89 0.00 0.00 54.13 50.73 1wfi s LEU 21 Cb -0.16 -0.54 0.04 0.00 0.66 0.00 0.00 46.19 46.19 1wfi s LEU 21 CO 0.03 0.06 0.18 0.00 -1.89 0.00 0.00 176.35 174.73 1wfi s ALA 22 N -0.62 -0.34 -0.27 5.97 0.00 0.07 0.14 121.76 126.71 1wfi s ALA 22 Ca 0.02 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.74 1wfi s ALA 22 Cb -0.06 -0.57 0.08 0.00 0.00 0.00 0.00 23.12 22.57 1wfi s ALA 22 CO 0.00 -0.24 0.02 0.08 0.00 0.00 0.00 175.76 175.63 1wfi s VAL 23 N 1.38 1.37 0.54 0.00 1.01 0.20 -1.69 120.40 123.22 1wfi s VAL 23 Ca -0.07 -1.42 -0.18 0.00 0.00 0.00 0.00 61.98 60.31 1wfi s VAL 23 Cb -0.11 -1.85 -0.06 0.00 0.00 0.00 0.00 36.38 34.36 1wfi s VAL 23 CO -0.07 -0.38 1.04 -2.16 0.00 0.00 0.00 175.10 173.54 1wfi s PRO 24 N 1.42 3.56 -0.00 2.72 0.04 -1.26 -0.45 135.00 141.02 1wfi s PRO 24 Ca 0.03 1.25 0.03 0.00 0.04 0.00 0.00 61.00 62.35 1wfi s PRO 24 Cb -0.18 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1wfi s PRO 24 CO -0.13 -0.62 -0.09 -0.06 0.04 0.00 0.00 177.00 176.14 1wfi s PHE 25 N -2.27 0.83 -1.11 0.56 0.08 -1.21 -4.91 117.98 109.94 1wfi s PHE 25 Ca 0.65 -0.18 -0.20 0.00 0.12 0.00 0.00 56.93 57.32 1wfi s PHE 25 Cb -0.16 -0.53 0.08 0.00 -0.57 0.00 0.00 43.02 41.84 1wfi s PHE 25 CO 0.30 -0.01 1.50 1.03 -0.10 0.00 0.00 175.22 177.93 1wfi s ARG 26 N -0.31 3.76 0.23 0.44 1.81 -1.26 -4.78 118.95 118.83 1wfi s ARG 26 Ca 0.03 -1.61 0.06 0.00 -1.72 0.00 0.00 55.73 52.49 1wfi s ARG 26 Cb -0.04 -5.33 -0.05 0.00 -0.45 0.00 0.00 34.95 29.08 1wfi s ARG 26 CO -0.00 -2.13 -0.08 0.14 -0.68 0.00 0.00 175.30 172.55 1wfi s VAL 27 N 4.15 1.46 -0.65 3.52 -7.23 -1.26 -5.04 120.40 115.35 1wfi s VAL 27 Ca 0.46 -2.12 0.07 0.00 -1.81 0.00 0.00 61.98 58.58 1wfi s VAL 27 Cb 0.00 -2.22 0.16 0.00 0.56 0.00 0.00 36.38 34.89 1wfi s VAL 27 CO -0.03 -0.46 1.06 -0.24 -0.31 0.00 0.00 175.10 175.12 1wfi n SER 28 N -0.43 2.36 -4.24 4.85 2.88 -1.26 -5.02 113.62 112.77 1wfi n SER 28 Ca -0.07 -1.84 -0.14 0.00 -1.33 0.00 0.00 58.87 55.49 1wfi n SER 28 Cb 0.62 -0.11 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.91 1.27 -0.30 0.66 -0.12 -1.26 -5.11 117.98 112.21 1wfi s PHE 29 Ca 0.13 -1.24 -0.29 0.00 -0.05 0.00 0.00 56.93 55.49 1wfi s PHE 29 Cb 0.07 -0.69 -0.00 0.00 -0.63 0.00 0.00 43.02 41.77 1wfi s PHE 29 CO 0.10 -0.45 1.34 1.03 -0.05 0.00 0.00 175.22 177.18 1wfi s ARG 30 N -4.06 3.87 0.12 1.99 0.52 -1.25 -4.69 118.95 115.44 1wfi s ARG 30 Ca 0.35 1.25 -0.30 0.00 -0.52 0.00 0.00 55.73 56.50 1wfi s ARG 30 Cb 0.07 -3.90 -0.07 0.00 0.52 0.00 0.00 34.95 31.57 1wfi s ARG 30 CO 0.10 -1.18 1.23 -0.51 0.02 0.00 0.00 175.30 174.97 1wfi s LEU 31 N 4.53 4.40 0.00 2.53 1.43 0.36 -4.97 118.68 126.97 1wfi s LEU 31 Ca 0.58 2.16 -0.01 0.00 -1.03 0.00 0.00 54.13 55.82 1wfi s LEU 31 Cb -0.17 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.52 1wfi s LEU 31 CO 0.24 -0.46 0.40 0.29 0.23 0.00 0.00 176.35 177.05 1wfi n LYS 32 N 3.35 0.22 -0.57 1.70 4.76 -1.26 -4.58 118.16 121.78 1wfi n LYS 32 Ca 0.07 -0.99 0.10 0.00 -2.87 0.00 0.00 58.31 54.62 1wfi n LYS 32 Cb 0.45 -0.29 0.35 0.00 -1.84 0.00 0.00 35.03 33.70 1wfi n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfi n GLY 33 N 2.05 2.61 0.01 0.72 0.00 -1.26 -4.03 105.19 105.29 1wfi n GLY 33 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 1.24 1.82 -0.52 1.61 -0.00 -1.26 -4.53 118.16 116.52 1wfi n LYS 34 Ca 0.25 -0.01 0.04 0.00 -0.00 0.00 0.00 58.31 58.59 1wfi n LYS 34 Cb 0.83 -1.07 0.23 0.00 -0.00 0.00 0.00 35.03 35.02 1wfi n LYS 34 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1wfi n ASP 35 N -1.86 3.75 -4.20 -5.58 8.00 -1.26 -4.84 116.55 110.56 1wfi n ASP 35 Ca -0.03 -2.54 -0.12 0.00 0.71 0.00 0.00 54.79 52.81 1wfi n ASP 35 Cb 0.34 -0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.73 1wfi n ASP 35 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wfi s VAL 36 N -2.02 0.31 -0.30 2.53 0.11 -1.26 -2.98 120.40 116.78 1wfi s VAL 36 Ca 0.32 -1.95 -0.02 0.00 -2.93 0.00 0.00 61.98 57.40 1wfi s VAL 36 Cb 0.24 -2.20 0.10 0.00 -1.53 0.00 0.00 36.38 32.98 1wfi s VAL 36 CO 0.09 -0.34 0.10 -0.69 -3.33 0.00 0.00 175.10 170.93 1wfi s VAL 37 N -3.92 0.63 -0.39 2.04 1.01 0.97 -4.48 120.40 116.27 1wfi s VAL 37 Ca 0.28 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1wfi s VAL 37 Cb 0.07 -1.47 0.11 0.00 0.00 0.00 0.00 36.38 35.09 1wfi s VAL 37 CO 0.05 -0.67 0.13 -0.69 0.00 0.00 0.00 175.10 173.93 1wfi s VAL 38 N 1.75 2.70 -0.38 2.92 1.01 -1.25 -1.74 120.40 125.41 1wfi s VAL 38 Ca 0.09 -2.35 -0.15 0.00 0.00 0.00 0.00 61.98 59.57 1wfi s VAL 38 Cb -0.17 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.30 1wfi s VAL 38 CO -0.27 -0.66 0.31 -0.62 0.00 0.00 0.00 175.10 173.85 1wfi s ASP 39 N 1.11 6.11 -0.50 3.32 2.15 0.24 -4.97 116.67 124.14 1wfi s ASP 39 Ca 0.11 -0.67 -0.09 0.00 0.43 0.00 0.00 52.55 52.32 1wfi s ASP 39 Cb -0.21 -2.16 0.13 0.00 -0.30 0.00 0.00 42.92 40.37 1wfi s ASP 39 CO -0.06 -0.39 0.38 -0.63 -0.17 0.00 0.00 175.17 174.30 1wfi s ILE 40 N 1.78 4.31 0.52 4.11 1.01 -1.26 -1.11 121.20 130.55 1wfi s ILE 40 Ca 0.07 -1.87 0.08 0.00 0.00 0.00 0.00 60.65 58.93 1wfi s ILE 40 Cb -0.18 -3.82 0.05 0.00 0.01 0.00 0.00 42.46 38.52 1wfi s ILE 40 CO 0.11 -0.80 0.60 -1.10 0.00 0.00 0.00 174.94 173.75 1wfi s GLN 41 N 1.24 2.40 0.05 2.79 -1.52 0.21 -4.82 119.66 120.02 1wfi s GLN 41 Ca 0.07 -1.67 -0.25 0.00 -1.95 0.00 0.00 55.36 51.56 1wfi s GLN 41 Cb -0.25 -2.48 -0.17 0.00 -0.22 0.00 0.00 33.01 29.88 1wfi s GLN 41 CO -0.01 -0.62 1.56 -0.09 -0.25 0.00 0.00 175.29 175.89 1wfi h ARG 42 N 0.52 -0.17 -1.28 2.91 9.65 -1.98 -3.34 114.38 120.69 1wfi h ARG 42 Ca -0.35 0.01 -0.46 0.00 -1.10 0.00 0.00 59.98 58.08 1wfi h ARG 42 Cb 1.29 0.04 -0.41 0.00 -1.39 0.00 0.00 29.97 29.50 1wfi h ARG 42 CO 0.48 0.01 -0.99 -2.13 2.80 0.00 0.00 179.97 180.14 1wfi n ARG 43 N -5.10 2.12 -3.64 0.20 0.63 -1.26 0.62 116.66 110.22 1wfi n ARG 43 Ca -0.08 -3.81 -0.03 0.00 -0.92 0.00 0.00 57.85 53.00 1wfi n ARG 43 Cb 0.15 -1.69 -0.07 0.00 0.45 0.00 0.00 32.46 31.30 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 -3.27 -0.40 -0.07 -0.14 2.46 -1.25 -2.79 115.29 109.82 1wfi s HIS 44 Ca 0.37 0.86 0.01 0.00 0.47 0.00 0.00 55.06 56.77 1wfi s HIS 44 Cb 0.43 0.32 0.02 0.00 -0.13 0.00 0.00 32.58 33.22 1wfi s HIS 44 CO -0.06 -0.20 -0.09 -1.17 -2.47 0.00 0.00 174.74 170.75 1wfi s LEU 45 N 0.83 1.45 -0.25 8.88 2.96 -1.19 -0.62 118.68 130.74 1wfi s LEU 45 Ca -0.03 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1wfi s LEU 45 Cb -0.04 -0.76 0.07 0.00 0.50 0.00 0.00 46.19 45.97 1wfi s LEU 45 CO -0.12 -0.02 0.02 -0.60 -1.32 0.00 0.00 176.35 174.31 1wfi s ARG 46 N 1.00 1.08 0.14 1.98 3.52 -0.27 -3.21 118.95 123.19 1wfi s ARG 46 Ca -0.09 -0.93 0.11 0.00 -0.13 0.00 0.00 55.73 54.69 1wfi s ARG 46 Cb -0.15 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.87 1wfi s ARG 46 CO -0.00 -0.75 -0.24 0.08 -0.81 0.00 0.00 175.30 173.58 1wfi s VAL 47 N 1.55 2.43 -4.90 7.11 1.01 -0.33 0.83 120.40 128.10 1wfi s VAL 47 Ca 0.01 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.26 1wfi s VAL 47 Cb -0.18 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.10 1wfi s VAL 47 CO -0.12 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1wfi n GLY 48 N 0.77 -2.12 3.56 4.51 0.00 -0.71 -0.45 105.19 110.75 1wfi n GLY 48 Ca -0.16 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 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 3.50 0.00 0.99 1.43 -1.26 -0.02 118.68 123.32 1wfi s LEU 49 Ca 0.00 -0.03 -0.39 0.00 -1.03 0.00 0.00 54.13 52.68 1wfi s LEU 49 Cb 0.00 -1.86 -0.19 0.00 0.03 0.00 0.00 46.19 44.16 1wfi s LEU 49 CO 0.00 0.17 1.03 1.17 0.23 0.00 0.00 176.35 178.96 1wfi n LYS 50 N 3.52 0.00 0.00 1.70 4.81 -1.16 0.16 118.16 127.20 1wfi n LYS 50 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1wfi n LYS 50 Cb 0.52 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 34.12 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 1.47 1.62 3.89 3.14 0.00 -1.26 -4.95 105.19 109.10 1wfi n GLY 51 Ca 0.19 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 2.19 0.32 1.61 -1.52 0.44 -5.03 119.66 117.67 1wfi s GLN 52 Ca 0.00 0.22 -0.27 0.00 -1.95 0.00 0.00 55.36 53.36 1wfi s GLN 52 Cb 0.00 -1.97 -0.09 0.00 -0.22 0.00 0.00 33.01 30.73 1wfi s GLN 52 CO 0.00 -1.46 1.07 -1.25 -0.25 0.00 0.00 175.29 173.40 1wfi s PRO 53 N -5.50 4.46 -0.22 2.91 0.04 -1.26 -4.42 135.00 131.01 1wfi s PRO 53 Ca 0.61 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 63.02 1wfi s PRO 53 Cb -0.11 -2.94 -0.01 0.00 0.04 0.00 0.00 34.50 31.48 1wfi s PRO 53 CO 0.50 0.09 1.31 -1.25 0.04 0.00 0.00 177.00 177.69 1wfi s PRO 54 N -1.85 4.08 0.32 0.56 0.04 -1.26 -4.30 135.00 132.60 1wfi s PRO 54 Ca 0.50 1.51 0.01 0.00 0.04 0.00 0.00 61.00 63.05 1wfi s PRO 54 Cb -0.28 -3.83 0.53 0.00 0.04 0.00 0.00 34.50 30.97 1wfi s PRO 54 CO 0.35 -0.91 1.93 0.28 0.04 0.00 0.00 177.00 178.70 1wfi h VAL 55 N 5.72 1.19 -3.32 -0.36 2.07 -1.14 -3.40 116.25 117.01 1wfi h VAL 55 Ca -0.27 -0.52 -0.66 0.00 0.82 0.00 0.00 66.70 66.07 1wfi h VAL 55 Cb 1.11 0.42 -0.27 0.00 -1.52 0.00 0.00 31.29 31.02 1wfi h VAL 55 CO 1.00 0.22 -0.76 -0.69 0.02 0.00 0.00 177.57 177.36 1wfi s VAL 56 N -5.51 3.08 -0.30 2.57 1.01 -1.08 -4.81 120.40 115.35 1wfi s VAL 56 Ca -0.10 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 1wfi s VAL 56 Cb 0.17 -2.32 0.14 0.00 0.00 0.00 0.00 36.38 34.37 1wfi s VAL 56 CO 0.78 0.50 0.83 -0.62 0.00 0.00 0.00 175.10 176.59 1wfi s ASP 57 N 0.68 -0.83 0.00 3.32 2.15 -1.20 -1.18 116.67 119.62 1wfi s ASP 57 Ca -0.06 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.08 1wfi s ASP 57 Cb -0.15 1.89 0.00 0.00 -0.30 0.00 0.00 42.92 44.36 1wfi s ASP 57 CO 0.02 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 1wfi n GLY 58 N 5.06 3.46 3.62 2.66 0.00 -1.23 -4.16 105.19 114.60 1wfi n GLY 58 Ca -0.11 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.17 3.64 1.01 1.61 2.12 -1.26 -3.14 118.70 120.51 1wfi s GLU 59 Ca 0.00 1.42 -0.17 0.00 0.36 0.00 0.00 54.97 56.58 1wfi s GLU 59 Cb 0.00 -4.06 -0.04 0.00 0.26 0.00 0.00 34.13 30.29 1wfi s GLU 59 CO 0.00 -1.48 -0.31 1.28 -0.54 0.00 0.00 175.26 174.21 1wfi n LEU 60 N 8.92 -2.76 -0.02 2.70 4.77 -1.12 -1.32 117.00 128.18 1wfi n LEU 60 Ca 0.19 0.15 -0.08 0.00 -0.03 0.00 0.00 56.01 56.24 1wfi n LEU 60 Cb 0.46 -0.92 0.08 0.00 -2.33 0.00 0.00 43.42 40.71 1wfi n LEU 60 CO 0.67 -4.08 0.57 0.22 -1.33 0.00 0.00 177.39 173.43 1wfi h TYR 61 N -1.42 0.72 -3.80 -1.77 3.20 -1.43 -3.43 116.97 109.04 1wfi h TYR 61 Ca -0.45 -0.22 -0.09 0.00 3.14 0.00 0.00 58.73 61.11 1wfi h TYR 61 Cb 1.32 -0.15 -0.13 0.00 1.54 0.00 0.00 36.73 39.31 1wfi h TYR 61 CO 0.23 0.93 -0.32 1.21 -1.64 0.00 0.00 178.16 178.57 1wfi s ASN 62 N -6.87 0.05 0.44 -2.11 3.84 -1.26 -5.09 114.94 103.95 1wfi s ASN 62 Ca -0.08 -0.71 -0.25 0.00 0.21 0.00 0.00 52.86 52.03 1wfi s ASN 62 Cb 0.12 0.39 -0.08 0.00 -0.55 0.00 0.00 41.25 41.13 1wfi s ASN 62 CO 0.83 -0.81 1.40 -1.61 -2.79 0.00 0.00 177.10 174.12 1wfi s GLU 63 N -3.90 3.72 -0.03 0.43 2.02 -1.26 -4.70 118.70 114.99 1wfi s GLU 63 Ca 0.10 2.36 0.02 0.00 0.02 0.00 0.00 54.97 57.47 1wfi s GLU 63 Cb 0.04 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.61 1wfi s GLU 63 CO -0.06 -0.77 -0.09 0.14 0.02 0.00 0.00 175.26 174.50 1wfi s VAL 64 N -1.22 0.78 -0.45 2.63 -7.23 0.20 -1.30 120.40 113.81 1wfi s VAL 64 Ca 0.61 -0.34 -0.28 0.00 -1.81 0.00 0.00 61.98 60.15 1wfi s VAL 64 Cb -0.42 -0.71 -0.09 0.00 0.56 0.00 0.00 36.38 35.72 1wfi s VAL 64 CO 0.55 0.25 2.36 1.17 -0.31 0.00 0.00 175.10 179.12 1wfi n LYS 65 N 3.43 1.18 0.08 4.82 4.81 0.38 -4.32 118.16 128.54 1wfi n LYS 65 Ca -0.20 0.18 -0.15 0.00 -0.87 0.00 0.00 58.31 57.27 1wfi n LYS 65 Cb 0.54 -3.07 -0.08 0.00 0.02 0.00 0.00 35.03 32.44 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 7.51 1.40 -0.92 3.15 -1.51 -1.87 -1.02 116.25 122.98 1wfi h VAL 66 Ca -0.27 -2.56 0.07 0.00 -1.23 0.00 0.00 66.70 62.71 1wfi h VAL 66 Cb 1.27 2.56 -0.06 0.00 -2.13 0.00 0.00 31.29 32.93 1wfi h VAL 66 CO 1.11 0.76 0.60 -0.33 -1.23 0.00 0.00 177.57 178.48 1wfi h GLU 67 N 0.21 0.99 0.00 5.19 5.08 -1.92 0.02 114.58 124.15 1wfi h GLU 67 Ca -0.11 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1wfi h GLU 67 Cb 1.71 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1wfi h GLU 67 CO 0.18 0.65 -0.71 0.39 -1.00 0.00 0.00 179.01 178.53 1wfi n GLU 68 N -4.51 0.29 -2.01 2.33 1.02 -1.21 -4.90 120.64 111.65 1wfi n GLU 68 Ca 0.15 0.07 -0.39 0.00 -0.02 0.00 0.00 57.16 56.96 1wfi n GLU 68 Cb 0.23 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 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 -4.15 6.07 -0.19 1.62 0.01 -0.01 -4.94 113.70 112.11 1wfi s SER 69 Ca 0.06 2.65 -0.11 0.00 1.31 0.00 0.00 55.95 59.86 1wfi s SER 69 Cb 0.14 -2.63 0.06 0.00 0.21 0.00 0.00 66.02 63.80 1wfi s SER 69 CO 0.74 -1.01 0.47 -0.44 0.41 0.00 0.00 173.24 173.40 1wfi s SER 70 N -0.84 -0.61 0.31 2.44 0.01 -1.07 -4.95 113.70 108.98 1wfi s SER 70 Ca 0.61 1.03 0.09 0.00 1.31 0.00 0.00 55.95 58.98 1wfi s SER 70 Cb -0.38 0.91 -0.04 0.00 0.21 0.00 0.00 66.02 66.72 1wfi s SER 70 CO 0.47 -0.20 0.06 -1.66 0.41 0.00 0.00 173.24 172.32 1wfi s TRP 71 N 1.43 2.69 0.38 2.43 1.48 -1.26 -2.13 118.94 123.96 1wfi s TRP 71 Ca -0.10 -0.32 -0.10 0.00 -1.06 0.00 0.00 56.10 54.52 1wfi s TRP 71 Cb -0.08 -1.43 0.04 0.00 -1.16 0.00 0.00 33.47 30.84 1wfi s TRP 71 CO -0.14 0.48 0.67 1.47 -4.06 0.00 0.00 176.95 175.37 1wfi n LEU 72 N -1.02 0.00 -4.01 -4.66 -0.00 -0.36 -5.00 117.00 101.96 1wfi n LEU 72 Ca -0.05 -2.67 -0.31 0.00 -0.00 0.00 0.00 56.01 52.98 1wfi n LEU 72 Cb 0.60 3.34 -0.16 0.00 -0.00 0.00 0.00 43.42 47.21 1wfi n LEU 72 CO 0.42 -0.78 -0.46 -0.63 -0.00 0.00 0.00 177.39 175.94 1wfi s ILE 73 N -2.37 1.77 -0.04 1.47 1.01 -1.26 -0.52 121.20 121.26 1wfi s ILE 73 Ca 0.21 -1.21 -0.15 0.00 0.00 0.00 0.00 60.65 59.50 1wfi s ILE 73 Cb -0.03 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 1wfi s ILE 73 CO 0.15 0.08 0.41 -1.61 0.00 0.00 0.00 174.94 173.98 1wfi s GLU 74 N 1.32 4.03 -0.48 2.79 0.41 0.55 -3.83 118.70 123.48 1wfi s GLU 74 Ca -0.04 0.39 0.00 0.00 -0.41 0.00 0.00 54.97 54.92 1wfi s GLU 74 Cb -0.18 -3.28 0.00 0.00 -1.78 0.00 0.00 34.13 28.89 1wfi s GLU 74 CO -0.07 0.54 0.00 -3.47 -0.49 0.00 0.00 175.26 171.77 1wfi n ASP 75 N 2.34 -5.38 -3.59 -0.19 -0.08 -1.26 -0.07 116.55 108.32 1wfi n ASP 75 Ca -0.12 0.11 -0.21 0.00 -1.51 0.00 0.00 54.79 53.05 1wfi n ASP 75 Cb 0.52 -3.28 0.07 0.00 2.34 0.00 0.00 41.12 40.77 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 0.01 -0.42 0.16 0.27 0.00 -1.25 -4.66 105.19 99.31 1wfi n GLY 76 Ca -0.05 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.48 0.00 -2.73 1.61 2.85 -0.93 0.13 118.16 114.61 1wfi n LYS 77 Ca -0.17 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.67 1wfi n LYS 77 Cb 0.62 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.97 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 -1.18 4.59 -0.32 0.58 1.01 0.90 -3.35 120.40 122.63 1wfi s VAL 78 Ca 0.00 1.56 -0.20 0.00 0.00 0.00 0.00 61.98 63.34 1wfi s VAL 78 Cb 0.00 -4.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1wfi s VAL 78 CO 0.00 -0.42 0.61 -0.69 0.00 0.00 0.00 175.10 174.60 1wfi s VAL 79 N 3.45 4.94 -0.04 2.92 1.01 0.40 0.20 120.40 133.28 1wfi s VAL 79 Ca 0.41 0.74 -0.02 0.00 0.00 0.00 0.00 61.98 63.12 1wfi s VAL 79 Cb -0.13 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1wfi s VAL 79 CO 0.15 -0.18 0.07 0.42 0.00 0.00 0.00 175.10 175.56 1wfi s THR 80 N 2.59 4.75 -0.06 3.92 -4.23 0.32 0.63 115.64 123.57 1wfi s THR 80 Ca 0.24 -0.29 0.03 0.00 -1.18 0.00 0.00 61.69 60.49 1wfi s THR 80 Cb -0.15 -3.12 0.01 0.00 1.34 0.00 0.00 72.50 70.58 1wfi s THR 80 CO 0.13 0.44 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.83 1wfi s VAL 81 N -1.10 1.19 -0.23 2.29 1.01 0.38 -1.22 120.40 122.71 1wfi s VAL 81 Ca 0.20 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1wfi s VAL 81 Cb -0.12 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1wfi s VAL 81 CO 0.10 0.36 -0.08 -2.28 0.00 0.00 0.00 175.10 173.20 1wfi s HIS 82 N 0.46 3.01 0.06 5.22 2.46 -0.90 0.39 115.29 125.98 1wfi s HIS 82 Ca -0.11 -1.45 0.07 0.00 0.47 0.00 0.00 55.06 54.04 1wfi s HIS 82 Cb -0.14 -2.05 -0.04 0.00 -0.13 0.00 0.00 32.58 30.23 1wfi s HIS 82 CO 0.03 -0.71 -0.14 -0.51 -2.47 0.00 0.00 174.74 170.95 1wfi s LEU 83 N 1.35 2.85 -0.27 8.88 1.43 0.08 -2.61 118.68 130.39 1wfi s LEU 83 Ca 0.02 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1wfi s LEU 83 Cb -0.16 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.44 1wfi s LEU 83 CO -0.05 0.23 -0.06 -0.70 0.23 0.00 0.00 176.35 176.00 1wfi s GLU 84 N -1.74 2.54 0.05 1.70 -6.30 -1.26 0.20 118.70 113.89 1wfi s GLU 84 Ca 0.17 -1.17 -0.33 0.00 -2.50 0.00 0.00 54.97 51.14 1wfi s GLU 84 Cb -0.11 -3.02 -0.12 0.00 0.00 0.00 0.00 34.13 30.89 1wfi s GLU 84 CO 0.09 -0.52 1.78 1.63 0.02 0.00 0.00 175.26 178.26 1wfi n LYS 85 N 4.59 2.34 0.28 4.30 5.02 -0.93 0.14 118.16 133.91 1wfi n LYS 85 Ca -0.15 0.85 0.15 0.00 -2.02 0.00 0.00 58.31 57.15 1wfi n LYS 85 Cb 0.44 -2.69 0.84 0.00 -0.02 0.00 0.00 35.03 33.61 1wfi n LYS 85 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1wfi h ILE 86 N 4.68 0.42 0.00 -0.18 1.08 -1.52 -3.21 117.51 118.78 1wfi h ILE 86 Ca -0.47 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 63.64 1wfi h ILE 86 Cb 1.25 1.23 -0.00 0.00 -3.07 0.00 0.00 36.82 36.24 1wfi h ILE 86 CO 0.93 0.07 -0.90 -3.20 -0.69 0.00 0.00 178.15 174.35 1wfi n ASN 87 N -3.55 1.90 -0.05 1.72 5.15 -1.26 -5.04 115.26 114.14 1wfi n ASN 87 Ca -0.02 0.43 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1wfi n ASN 87 Cb 0.19 -0.79 0.00 0.00 -0.53 0.00 0.00 39.78 38.65 1wfi n ASN 87 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1wfi n LYS 88 N -4.50 0.00 -2.13 1.20 2.85 -1.21 -4.99 118.16 109.37 1wfi n LYS 88 Ca -0.13 0.05 -0.03 0.00 -1.05 0.00 0.00 58.31 57.14 1wfi n LYS 88 Cb 0.46 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.85 1wfi n LYS 88 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1wfi n MET 89 N 1.35 -1.02 -3.48 -1.58 2.81 0.40 -4.86 117.12 110.74 1wfi n MET 89 Ca 0.00 0.17 -0.26 0.00 -1.81 0.00 0.00 57.70 55.80 1wfi n MET 89 Cb 0.00 -2.89 -0.13 0.00 -0.71 0.00 0.00 33.22 29.49 1wfi n MET 89 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1wfi s GLU 90 N -3.93 0.33 -0.19 0.03 2.12 -1.26 -4.98 118.70 110.82 1wfi s GLU 90 Ca 0.03 -0.67 -0.34 0.00 0.36 0.00 0.00 54.97 54.35 1wfi s GLU 90 Cb -0.00 -1.06 -0.11 0.00 0.26 0.00 0.00 34.13 33.21 1wfi s GLU 90 CO 0.14 -1.08 2.01 1.87 -0.54 0.00 0.00 175.26 177.66 1wfi n TRP 91 N 4.89 2.06 -2.62 5.30 -0.00 -1.26 -4.88 117.44 120.93 1wfi n TRP 91 Ca 0.00 0.09 -0.42 0.00 -0.00 0.00 0.00 57.50 57.17 1wfi n TRP 91 Cb 0.42 -2.63 -0.03 0.00 -0.00 0.00 0.00 31.31 29.07 1wfi n TRP 91 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1wfi s TRP 92 N 5.57 3.54 -0.86 5.87 0.52 -1.26 -4.90 118.94 127.43 1wfi s TRP 92 Ca 0.99 1.55 0.25 0.00 0.02 0.00 0.00 56.10 58.91 1wfi s TRP 92 Cb -0.71 -3.23 0.98 0.00 -1.15 0.00 0.00 33.47 29.36 1wfi s TRP 92 CO 0.50 -0.45 1.78 0.09 0.02 0.00 0.00 176.95 178.89 1wfi n ASN 93 N 4.27 0.33 -3.37 2.95 4.13 -1.26 -4.74 115.26 117.57 1wfi n ASN 93 Ca 0.08 0.54 0.03 0.00 1.68 0.00 0.00 54.58 56.91 1wfi n ASN 93 Cb 0.49 -0.63 -0.05 0.00 -1.54 0.00 0.00 39.78 38.06 1wfi n ASN 93 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wfi s ARG 94 N -3.07 0.10 0.19 3.52 1.04 -1.26 -5.04 118.95 114.43 1wfi s ARG 94 Ca 0.11 0.22 -0.22 0.00 -1.04 0.00 0.00 55.73 54.79 1wfi s ARG 94 Cb 0.14 0.10 0.11 0.00 -2.04 0.00 0.00 34.95 33.27 1wfi s ARG 94 CO 0.49 -0.03 1.56 1.25 -0.04 0.00 0.00 175.30 178.53 1wfi h LEU 95 N 6.56 -1.47 -9.28 -1.89 5.85 -1.96 -3.34 115.31 109.78 1wfi h LEU 95 Ca -0.18 0.27 -0.59 0.00 0.84 0.00 0.00 57.88 58.23 1wfi h LEU 95 Cb 1.14 0.71 -0.14 0.00 0.37 0.00 0.00 40.66 42.74 1wfi h LEU 95 CO 0.12 -0.30 -0.71 0.68 -0.34 0.00 0.00 178.44 177.89 1wfi s VAL 96 N -5.87 2.19 -0.09 1.05 -7.23 -1.26 -1.64 120.40 107.54 1wfi s VAL 96 Ca -0.14 -2.26 0.15 0.00 -1.81 0.00 0.00 61.98 57.92 1wfi s VAL 96 Cb 0.16 -2.46 -0.21 0.00 0.56 0.00 0.00 36.38 34.42 1wfi s VAL 96 CO 0.68 -0.31 0.59 0.35 -0.31 0.00 0.00 175.10 176.11 1wfi n THR 97 N -0.68 1.41 -3.98 5.32 -2.24 -0.43 -4.71 114.28 108.97 1wfi n THR 97 Ca -0.05 -0.77 -0.32 0.00 -2.27 0.00 0.00 64.05 60.64 1wfi n THR 97 Cb 0.62 -0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 67.88 1wfi n THR 97 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wfi s SER 98 N -5.85 4.80 0.78 3.42 0.01 -1.26 -4.98 113.70 110.61 1wfi s SER 98 Ca -0.05 -2.22 -0.12 0.00 1.31 0.00 0.00 55.95 54.87 1wfi s SER 98 Cb 0.08 -1.66 0.06 0.00 0.21 0.00 0.00 66.02 64.72 1wfi s SER 98 CO 0.82 -0.39 1.13 1.51 0.41 0.00 0.00 173.24 176.73 1wfi s ASP 99 N 0.92 4.17 0.00 2.44 1.47 -1.26 -4.06 116.67 120.34 1wfi s ASP 99 Ca 0.11 2.06 0.00 0.00 1.18 0.00 0.00 52.55 55.90 1wfi s ASP 99 Cb -0.20 -2.55 0.00 0.00 -0.34 0.00 0.00 42.92 39.83 1wfi s ASP 99 CO -0.07 -2.27 0.18 -0.81 0.68 0.00 0.00 175.17 172.89 1wfi n PRO 100 N -3.32 0.00 0.02 2.11 -0.04 -1.26 -4.91 135.00 127.59 1wfi n PRO 100 Ca 0.11 0.22 -0.02 0.00 -0.04 0.00 0.00 63.50 63.77 1wfi n PRO 100 Cb 0.52 -0.85 -0.01 0.00 -0.04 0.00 0.00 33.50 33.12 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 -1.17 0.11 -4.13 0.54 -0.58 -1.26 -5.07 120.64 109.09 1wfi n GLU 101 Ca 0.00 0.05 -0.26 0.00 -0.42 0.00 0.00 57.16 56.53 1wfi n GLU 101 Cb 0.00 -0.70 -0.06 0.00 -0.57 0.00 0.00 31.44 30.11 1wfi n GLU 101 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wfi s ILE 102 N -2.18 4.22 -0.25 -3.67 1.01 -1.26 -5.04 121.20 114.03 1wfi s ILE 102 Ca -0.06 -1.23 -0.02 0.00 0.00 0.00 0.00 60.65 59.33 1wfi s ILE 102 Cb 0.01 -3.16 -0.15 0.00 0.01 0.00 0.00 42.46 39.17 1wfi s ILE 102 CO 0.09 -0.14 -0.25 -0.46 0.00 0.00 0.00 174.94 174.18 1wfi n ASN 103 N -0.36 2.02 -0.79 3.58 6.94 -1.26 -4.89 115.26 120.50 1wfi n ASN 103 Ca -0.09 -0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.46 1wfi n ASN 103 Cb 0.55 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 1wfi n ASN 103 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1wfi n THR 104 N -3.48 0.00 -4.35 5.53 5.66 -1.26 -5.04 114.28 111.35 1wfi n THR 104 Ca -0.46 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.26 1wfi n THR 104 Cb 0.95 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.62 1wfi n THR 104 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1wfi s LYS 105 N -1.36 1.80 -0.37 1.09 2.20 -1.26 -5.06 119.74 116.79 1wfi s LYS 105 Ca 0.00 -1.36 -0.29 0.00 -0.36 0.00 0.00 55.97 53.96 1wfi s LYS 105 Cb 0.00 -2.03 0.00 0.00 -1.51 0.00 0.00 37.83 34.30 1wfi s LYS 105 CO 0.00 0.43 1.41 0.15 -0.36 0.00 0.00 175.35 176.97 1wfi s LYS 106 N -2.66 3.67 0.00 4.03 -0.14 -1.26 -4.88 119.74 118.51 1wfi s LYS 106 Ca 0.22 1.08 0.00 0.00 -1.36 0.00 0.00 55.97 55.91 1wfi s LYS 106 Cb -0.09 -3.99 0.00 0.00 -1.68 0.00 0.00 37.83 32.07 1wfi s LYS 106 CO 0.12 -1.44 0.00 -0.89 -0.76 0.00 0.00 175.35 172.38 1wfi n ILE 107 N 6.81 0.00 -2.22 2.17 2.08 -1.26 -4.99 119.36 121.95 1wfi n ILE 107 Ca 0.16 0.49 -0.32 0.00 0.56 0.00 0.00 62.75 63.64 1wfi n ILE 107 Cb 0.47 -1.48 -0.02 0.00 -0.75 0.00 0.00 39.64 37.86 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 -3.68 6.49 -0.07 4.38 4.22 -1.26 -5.01 114.94 120.00 1wfi s ASN 108 Ca 0.00 1.52 -0.19 0.00 -2.14 0.00 0.00 52.86 52.05 1wfi s ASN 108 Cb 0.00 -2.50 -0.15 0.00 1.28 0.00 0.00 41.25 39.89 1wfi s ASN 108 CO 0.00 -0.68 0.72 1.55 -2.04 0.00 0.00 177.10 176.64 1wfi h PRO 109 N 0.51 -0.15 0.00 3.55 0.13 -2.03 -3.48 132.00 130.52 1wfi h PRO 109 Ca -0.46 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wfi h PRO 109 Cb 1.19 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wfi h PRO 109 CO 0.62 0.30 0.00 -0.85 -0.23 0.00 0.00 178.00 177.84 1wfi n GLU 110 N -4.85 2.16 0.00 0.86 0.00 -1.26 -5.18 120.64 112.36 1wfi n GLU 110 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.09 1wfi n GLU 110 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.70 1wfi n GLU 110 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1wfi n ASN 111 N 0.00 0.00 -3.09 -1.84 2.85 -1.26 -5.11 115.26 106.81 1wfi n ASN 111 Ca 0.00 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.29 1wfi n ASN 111 Cb 0.00 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 40.98 1wfi n ASN 111 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1wfi n SER 112 N 0.00 -1.47 -3.27 1.20 7.64 -1.26 -5.12 113.62 111.34 1wfi n SER 112 Ca 0.00 -2.72 -0.16 0.00 1.01 0.00 0.00 58.87 57.00 1wfi n SER 112 Cb 0.00 0.38 -0.05 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.09 1.88 -0.18 1.43 1.02 -1.26 -5.15 119.74 117.57 1wfi s LYS 113 Ca 0.33 -1.81 -0.05 0.00 0.02 0.00 0.00 55.97 54.46 1wfi s LYS 113 Cb 0.09 0.42 0.07 0.00 -0.52 0.00 0.00 37.83 37.88 1wfi s LYS 113 CO -0.15 -0.76 0.12 -1.17 -0.92 0.00 0.00 175.35 172.46 1wfi s LEU 114 N -3.26 0.25 0.00 3.17 2.96 -1.26 -5.04 118.68 115.49 1wfi s LEU 114 Ca 0.32 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1wfi s LEU 114 Cb 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 46.19 46.58 1wfi s LEU 114 CO 0.22 -0.34 0.00 -0.24 -1.32 0.00 0.00 176.35 174.66 1wfi n SER 115 N 5.29 0.00 -3.74 3.68 2.88 -1.26 -5.11 113.62 115.36 1wfi n SER 115 Ca -0.07 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.18 1wfi n SER 115 Cb 0.49 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.82 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 0.00 3.71 -0.23 -3.46 1.01 -1.26 -5.08 116.67 111.36 1wfi s ASP 116 Ca 0.00 -2.72 -0.06 0.00 0.71 0.00 0.00 52.55 50.48 1wfi s ASP 116 Cb 0.00 -1.10 -0.03 0.00 1.01 0.00 0.00 42.92 42.80 1wfi s ASP 116 CO 0.00 -0.25 0.03 -0.22 0.21 0.00 0.00 175.17 174.94 1wfi s LEU 117 N 0.22 3.34 -0.30 1.23 2.96 -1.26 -5.05 118.68 119.82 1wfi s LEU 117 Ca 0.18 -0.21 -0.16 0.00 -0.22 0.00 0.00 54.13 53.72 1wfi s LEU 117 Cb -0.23 -1.87 0.17 0.00 0.50 0.00 0.00 46.19 44.76 1wfi s LEU 117 CO -0.01 0.01 1.04 -0.62 -1.32 0.00 0.00 176.35 175.46 1wfi s ASP 118 N 1.31 -0.47 0.00 3.68 -1.08 -1.26 -5.13 116.67 113.72 1wfi s ASP 118 Ca 0.04 0.67 0.00 0.00 -0.52 0.00 0.00 52.55 52.74 1wfi s ASP 118 Cb -0.15 1.45 0.00 0.00 -1.46 0.00 0.00 42.92 42.77 1wfi s ASP 118 CO 0.02 -0.10 0.00 -1.20 0.52 0.00 0.00 175.17 174.41 1wfi n SER 119 N 4.54 0.00 0.00 -0.34 7.64 -1.26 -5.17 113.62 119.03 1wfi n SER 119 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1wfi n SER 119 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1wfi n SER 119 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1wfi n GLU 120 N 0.00 1.95 -3.67 1.43 0.28 -1.26 -5.19 120.64 114.18 1wfi n GLU 120 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1wfi n GLU 120 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 1wfi n GLU 120 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1wfi s THR 121 N 1.95 0.00 -0.12 3.84 -1.32 -1.26 -5.16 115.64 113.58 1wfi s THR 121 Ca 0.00 -0.39 0.01 0.00 -1.21 0.00 0.00 61.69 60.11 1wfi s THR 121 Cb 0.00 -1.95 0.02 0.00 -1.51 0.00 0.00 72.50 69.06 1wfi s THR 121 CO 0.00 0.00 -0.15 0.00 -2.21 0.00 0.00 174.62 172.26 1wfi s ARG 122 N -2.78 2.23 0.00 7.08 1.70 -1.26 -5.10 118.95 120.82 1wfi s ARG 122 Ca 0.13 -0.56 0.00 0.00 -0.47 0.00 0.00 55.73 54.83 1wfi s ARG 122 Cb 0.02 -1.93 0.00 0.00 -0.57 0.00 0.00 34.95 32.47 1wfi s ARG 122 CO -0.02 -0.09 0.00 -1.13 -1.08 0.00 0.00 175.30 172.98 1wfi n SER 123 N 4.31 0.00 -4.89 -2.89 3.41 -1.26 -5.17 113.62 107.13 1wfi n SER 123 Ca -0.19 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.14 1wfi n SER 123 Cb 0.51 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1wfi n SER 123 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1wfi s MET 124 N -2.00 3.26 0.00 4.33 -1.94 -1.26 -5.10 119.30 116.58 1wfi s MET 124 Ca 0.00 -0.61 0.00 0.00 -1.71 0.00 0.00 55.69 53.37 1wfi s MET 124 Cb 0.00 -2.89 0.00 0.00 2.01 0.00 0.00 34.83 33.95 1wfi s MET 124 CO 0.00 0.55 0.00 0.28 -0.01 0.00 0.00 175.02 175.84 1wfi n VAL 125 N -0.11 0.00 0.00 -6.03 0.31 -1.26 -5.17 118.33 106.06 1wfi n VAL 125 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1wfi n VAL 125 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 1wfi n VAL 125 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1wfi n SER 126 N 0.00 0.00 -3.15 4.52 3.41 -1.26 -5.15 113.62 111.99 1wfi n SER 126 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1wfi n SER 126 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 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 -0.95 0.82 5.00 0.00 -1.26 -5.17 107.32 105.77 1wfi s GLY 127 Ca 0.00 1.83 -0.14 0.00 0.00 0.00 0.00 44.72 46.41 1wfi s GLY 127 CO 0.00 3.59 0.91 -1.55 0.00 0.00 0.00 173.10 176.05 1wfi n PRO 128 N 5.41 -1.78 -4.23 2.90 -0.04 -1.26 -5.11 135.00 130.90 1wfi n PRO 128 Ca 0.00 -1.42 -0.14 0.00 -0.04 0.00 0.00 63.50 61.90 1wfi n PRO 128 Cb 0.53 -1.12 -0.09 0.00 -0.04 0.00 0.00 33.50 32.77 1wfi n PRO 128 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wfi s SER 129 N -4.18 0.66 0.58 3.54 0.01 -1.26 -5.11 113.70 107.94 1wfi s SER 129 Ca 0.55 -1.51 0.00 0.00 1.31 0.00 0.00 55.95 56.29 1wfi s SER 129 Cb -0.03 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1wfi s SER 129 CO 0.40 -0.91 0.00 -0.24 0.41 0.00 0.00 173.24 172.90 1wfi n SER 130 N -0.70 -7.73 0.00 2.44 2.88 -1.26 -5.38 113.62 103.88 1wfi n SER 130 Ca 0.04 1.59 0.00 0.00 -1.33 0.00 0.00 58.87 59.16 1wfi n SER 130 Cb 0.65 -4.76 0.00 0.00 -0.75 0.00 0.00 64.21 59.35 1wfi n SER 130 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42