#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 n LYS 2 N 0.00 0.00 -2.30 0.03 5.02 -1.26 -4.08 118.16 115.57 2wh4 n LYS 2 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 2wh4 n LYS 2 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.12 2wh4 n LYS 2 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2wh4 s GLY 3 N -0.02 1.75 0.00 0.72 0.00 -1.26 -3.78 107.32 104.72 2wh4 s GLY 3 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.40 2wh4 s GLY 3 CO 0.00 -0.76 0.00 4.51 0.00 0.00 0.00 173.10 176.85 2wh4 n ILE 4 N -3.08 0.00 -3.10 0.90 0.13 -1.14 -4.96 119.36 108.11 2wh4 n ILE 4 Ca 0.12 0.00 -0.27 0.00 -1.10 0.00 0.00 62.75 61.51 2wh4 n ILE 4 Cb 0.60 0.00 -0.01 0.00 -0.84 0.00 0.00 39.64 39.39 2wh4 n ILE 4 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 2wh4 s LEU 5 N 0.00 3.89 0.00 9.51 1.43 -1.26 -1.18 118.68 131.07 2wh4 s LEU 5 Ca 0.00 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 2wh4 s LEU 5 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2wh4 s LEU 5 CO 0.00 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.82 2wh4 n GLY 6 N -1.70 1.82 2.87 -3.19 0.00 -0.68 -4.20 105.19 100.11 2wh4 n GLY 6 Ca -0.02 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 2wh4 n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wh4 s VAL 7 N -2.87 -0.27 0.16 1.61 -7.23 -0.95 -1.15 120.40 109.70 2wh4 s VAL 7 Ca 0.00 0.33 -0.34 0.00 -1.81 0.00 0.00 61.98 60.16 2wh4 s VAL 7 Cb 0.00 -0.31 -0.14 0.00 0.56 0.00 0.00 36.38 36.48 2wh4 s VAL 7 CO 0.00 0.14 1.55 1.17 -0.31 0.00 0.00 175.10 177.64 2wh4 n LYS 8 N 5.24 2.05 -0.04 4.82 4.81 -0.56 -2.12 118.16 132.36 2wh4 n LYS 8 Ca -0.07 0.74 -0.05 0.00 -0.87 0.00 0.00 58.31 58.07 2wh4 n LYS 8 Cb 0.50 -2.49 -0.06 0.00 0.02 0.00 0.00 35.03 33.00 2wh4 n LYS 8 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2wh4 n VAL 9 N 3.25 0.57 -2.89 3.15 0.24 -0.24 0.53 118.33 122.95 2wh4 n VAL 9 Ca 0.17 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 2wh4 n VAL 9 Cb 0.28 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 31.85 2wh4 n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wh4 n GLY 10 N 2.59 -1.47 3.36 7.63 0.00 -1.22 -4.57 105.19 111.52 2wh4 n GLY 10 Ca -0.14 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 2wh4 n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wh4 s MET 11 N -1.98 0.76 0.22 1.61 0.23 -1.26 0.14 119.30 119.02 2wh4 s MET 11 Ca 0.00 0.16 -0.04 0.00 -1.03 0.00 0.00 55.69 54.78 2wh4 s MET 11 Cb 0.00 0.35 -0.03 0.00 -1.53 0.00 0.00 34.83 33.62 2wh4 s MET 11 CO 0.00 -0.20 0.23 0.95 -2.03 0.00 0.00 175.02 173.97 2wh4 s THR 12 N -0.90 0.00 0.08 3.16 -4.23 0.50 -4.97 115.64 109.28 2wh4 s THR 12 Ca -0.09 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 2wh4 s THR 12 Cb -0.03 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 2wh4 s THR 12 CO 0.05 0.00 0.10 0.00 -0.54 0.00 0.00 174.62 174.23 2wh4 s ARG 13 N -4.08 2.96 0.02 3.99 1.70 -1.26 0.13 118.95 122.40 2wh4 s ARG 13 Ca 0.35 -0.66 0.01 0.00 -0.47 0.00 0.00 55.73 54.95 2wh4 s ARG 13 Cb 0.05 -2.77 -0.02 0.00 -0.57 0.00 0.00 34.95 31.64 2wh4 s ARG 13 CO 0.12 0.57 -0.04 0.96 -1.08 0.00 0.00 175.30 175.83 2wh4 s ILE 14 N -1.41 0.23 -0.08 4.99 -4.36 -0.78 -4.89 121.20 114.89 2wh4 s ILE 14 Ca 0.30 -0.83 -0.25 0.00 -0.26 0.00 0.00 60.65 59.62 2wh4 s ILE 14 Cb -0.12 -0.33 -0.03 0.00 1.25 0.00 0.00 42.46 43.23 2wh4 s ILE 14 CO 0.23 -0.39 0.77 -0.36 0.24 0.00 0.00 174.94 175.43 2wh4 s PHE 15 N -1.22 3.55 -0.06 1.37 0.08 -1.26 -0.51 117.98 119.93 2wh4 s PHE 15 Ca -0.12 1.32 0.03 0.00 0.12 0.00 0.00 56.93 58.28 2wh4 s PHE 15 Cb -0.09 -2.90 0.01 0.00 -0.57 0.00 0.00 43.02 39.47 2wh4 s PHE 15 CO -0.00 -0.01 -0.15 0.50 -0.10 0.00 0.00 175.22 175.46 2wh4 s ARG 16 N 1.16 1.86 1.15 0.44 3.52 -0.72 -4.87 118.95 121.50 2wh4 s ARG 16 Ca 0.40 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 2wh4 s ARG 16 Cb -0.18 -1.54 0.00 0.00 -1.56 0.00 0.00 34.95 31.67 2wh4 s ARG 16 CO 0.18 0.12 0.00 -3.47 -0.81 0.00 0.00 175.30 171.33 2wh4 n ASP 17 N 3.52 0.00 -2.67 -2.12 4.64 -1.26 -2.54 116.55 116.12 2wh4 n ASP 17 Ca -0.21 0.00 -0.04 0.00 -1.38 0.00 0.00 54.79 53.16 2wh4 n ASP 17 Cb 0.52 0.00 0.09 0.00 -1.04 0.00 0.00 41.12 40.70 2wh4 n ASP 17 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 2wh4 n ASP 18 N 3.84 -1.41 -3.64 1.67 -0.08 -1.26 -5.14 116.55 110.53 2wh4 n ASP 18 Ca 0.00 -2.01 -0.06 0.00 -1.51 0.00 0.00 54.79 51.20 2wh4 n ASP 18 Cb 0.00 1.05 -0.07 0.00 2.34 0.00 0.00 41.12 44.44 2wh4 n ASP 18 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wh4 s ARG 19 N 0.12 0.31 -0.02 -0.67 1.70 -1.05 -5.14 118.95 114.20 2wh4 s ARG 19 Ca 0.23 0.35 -0.30 0.00 -0.47 0.00 0.00 55.73 55.55 2wh4 s ARG 19 Cb 0.25 0.15 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 2wh4 s ARG 19 CO -0.14 -0.04 1.30 0.00 -1.08 0.00 0.00 175.30 175.33 2wh4 s ALA 20 N 0.08 3.53 -0.29 7.88 0.00 -1.26 -1.75 121.76 129.95 2wh4 s ALA 20 Ca 0.05 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.80 2wh4 s ALA 20 Cb -0.05 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.59 2wh4 s ALA 20 CO -0.10 -0.81 -0.06 0.14 0.00 0.00 0.00 175.76 174.93 2wh4 s VAL 21 N 2.22 2.29 0.18 0.00 -7.23 0.33 -4.92 120.40 113.28 2wh4 s VAL 21 Ca 0.60 -1.79 -0.31 0.00 -1.81 0.00 0.00 61.98 58.67 2wh4 s VAL 21 Cb -0.28 -2.43 -0.10 0.00 0.56 0.00 0.00 36.38 34.12 2wh4 s VAL 21 CO 0.25 -0.18 1.55 -2.16 -0.31 0.00 0.00 175.10 174.24 2wh4 s PRO 22 N 1.07 4.22 0.06 4.82 0.04 -1.26 -1.86 135.00 142.08 2wh4 s PRO 22 Ca -0.04 2.36 0.05 0.00 0.04 0.00 0.00 61.00 63.41 2wh4 s PRO 22 Cb -0.20 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 2wh4 s PRO 22 CO -0.05 -0.58 -0.14 0.14 0.04 0.00 0.00 177.00 176.41 2wh4 s VAL 23 N 0.90 1.06 -0.09 -0.36 -7.23 0.34 -2.95 120.40 112.07 2wh4 s VAL 23 Ca 0.68 -1.17 -0.02 0.00 -1.81 0.00 0.00 61.98 59.65 2wh4 s VAL 23 Cb -0.44 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 2wh4 s VAL 23 CO 0.34 -0.16 0.01 0.28 -0.31 0.00 0.00 175.10 175.26 2wh4 s THR 24 N -1.12 4.41 -0.20 5.32 -1.32 0.25 -0.37 115.64 122.60 2wh4 s THR 24 Ca -0.01 -0.21 -0.08 0.00 -1.21 0.00 0.00 61.69 60.17 2wh4 s THR 24 Cb -0.09 -2.86 -0.04 0.00 -1.51 0.00 0.00 72.50 67.99 2wh4 s THR 24 CO 0.02 0.60 0.09 -0.69 -2.21 0.00 0.00 174.62 172.43 2wh4 s VAL 25 N -0.84 4.96 0.54 5.08 1.01 0.12 -0.99 120.40 130.29 2wh4 s VAL 25 Ca 0.13 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.19 2wh4 s VAL 25 Cb -0.11 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.03 2wh4 s VAL 25 CO 0.02 0.43 0.32 -0.63 0.00 0.00 0.00 175.10 175.24 2wh4 s ILE 26 N 0.59 1.55 -0.35 2.22 -1.09 -0.12 -1.08 121.20 122.92 2wh4 s ILE 26 Ca 0.05 -1.60 0.01 0.00 -2.23 0.00 0.00 60.65 56.88 2wh4 s ILE 26 Cb -0.13 -2.15 0.14 0.00 -1.58 0.00 0.00 42.46 38.75 2wh4 s ILE 26 CO 0.01 0.00 0.26 -0.22 -1.23 0.00 0.00 174.94 173.76 2wh4 s LEU 27 N -4.19 0.59 -1.17 2.97 2.96 -0.90 -2.97 118.68 115.97 2wh4 s LEU 27 Ca 0.28 -1.90 -0.06 0.00 -0.22 0.00 0.00 54.13 52.23 2wh4 s LEU 27 Cb -0.01 -0.08 0.07 0.00 0.50 0.00 0.00 46.19 46.67 2wh4 s LEU 27 CO 0.17 -0.31 2.57 0.00 -1.32 0.00 0.00 176.35 177.47 2wh4 n ALA 28 N 4.23 6.84 -0.96 5.97 0.00 -0.89 -2.25 120.51 133.45 2wh4 n ALA 28 Ca 0.10 -3.76 -0.36 0.00 0.00 0.00 0.00 53.44 49.42 2wh4 n ALA 28 Cb 0.40 -2.73 0.05 0.00 0.00 0.00 0.00 19.45 17.18 2wh4 n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh4 n GLY 29 N 1.85 -3.79 3.67 0.00 0.00 -1.26 -4.18 105.19 101.48 2wh4 n GLY 29 Ca 0.62 -0.59 -0.49 0.00 0.00 0.00 0.00 46.02 45.56 2wh4 n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wh4 n PRO 30 N 1.80 1.97 -3.60 1.61 -0.02 -1.26 -4.84 135.00 130.66 2wh4 n PRO 30 Ca -0.01 0.72 -0.40 0.00 -2.02 0.00 0.00 63.50 61.79 2wh4 n PRO 30 Cb 0.62 -2.50 -0.09 0.00 -0.02 0.00 0.00 33.50 31.51 2wh4 n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wh4 s PRO 32 N 1.32 2.01 -0.50 0.00 0.02 -1.26 -1.12 135.00 135.47 2wh4 s PRO 32 Ca 0.06 1.17 -0.31 0.00 0.02 0.00 0.00 61.00 61.94 2wh4 s PRO 32 Cb -0.25 -4.62 -0.11 0.00 0.02 0.00 0.00 34.50 29.53 2wh4 s PRO 32 CO -0.01 -3.51 2.36 1.55 -0.33 0.00 0.00 177.00 177.06 2wh4 n VAL 33 N 8.13 0.08 -2.53 3.83 3.14 -1.26 -2.89 118.33 126.82 2wh4 n VAL 33 Ca 0.38 -0.40 -0.29 0.00 -2.96 0.00 0.00 64.34 61.07 2wh4 n VAL 33 Cb 0.52 -1.88 -0.00 0.00 -1.06 0.00 0.00 33.84 31.42 2wh4 n VAL 33 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2wh4 n VAL 34 N 7.56 2.91 0.00 1.55 0.24 -1.05 -4.81 118.33 124.73 2wh4 n VAL 34 Ca 0.44 -5.08 0.00 0.00 -2.04 0.00 0.00 64.34 57.66 2wh4 n VAL 34 Cb 0.31 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 2wh4 n VAL 34 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2wh4 n GLN 35 N -0.41 0.00 -4.86 7.34 7.27 -1.26 -4.83 117.38 120.64 2wh4 n GLN 35 Ca 0.39 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 57.14 2wh4 n GLN 35 Cb 0.52 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 33.01 2wh4 n GLN 35 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2wh4 s ARG 36 N -4.51 3.25 -0.30 3.69 0.52 -1.26 -1.73 118.95 118.61 2wh4 s ARG 36 Ca 0.00 -0.76 -0.21 0.00 -0.52 0.00 0.00 55.73 54.24 2wh4 s ARG 36 Cb 0.00 -2.53 -0.01 0.00 0.52 0.00 0.00 34.95 32.93 2wh4 s ARG 36 CO 0.00 0.16 0.69 1.03 0.02 0.00 0.00 175.30 177.20 2wh4 s ARG 37 N 0.45 3.94 -0.06 3.54 1.81 0.56 -4.95 118.95 124.24 2wh4 s ARG 37 Ca -0.12 0.43 0.03 0.00 -1.72 0.00 0.00 55.73 54.35 2wh4 s ARG 37 Cb -0.16 -3.72 -0.03 0.00 -0.45 0.00 0.00 34.95 30.59 2wh4 s ARG 37 CO 0.05 -0.59 -0.14 0.95 -0.68 0.00 0.00 175.30 174.89 2wh4 s THR 38 N 2.72 3.11 0.55 0.02 -4.23 -1.26 -1.60 115.64 114.95 2wh4 s THR 38 Ca 0.28 -0.70 0.37 0.00 -1.18 0.00 0.00 61.69 60.46 2wh4 s THR 38 Cb -0.15 -2.23 0.56 0.00 1.34 0.00 0.00 72.50 72.03 2wh4 s THR 38 CO 0.12 0.59 1.77 -0.65 -0.54 0.00 0.00 174.62 175.90 2wh4 h PRO 39 N 5.42 0.00 0.19 3.99 0.11 -1.89 0.35 132.00 140.17 2wh4 h PRO 39 Ca -0.45 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.33 2wh4 h PRO 39 Cb 1.16 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.28 2wh4 h PRO 39 CO 0.51 0.00 -1.56 1.05 -0.21 0.00 0.00 178.00 177.79 2wh4 h GLU 40 N 0.00 0.41 0.00 1.05 9.09 -1.96 -3.23 114.58 119.95 2wh4 h GLU 40 Ca 0.58 -0.70 0.00 0.00 0.05 0.00 0.00 59.36 59.29 2wh4 h GLU 40 Cb 2.38 0.26 0.00 0.00 -1.65 0.00 0.00 28.75 29.75 2wh4 h GLU 40 CO -0.01 1.34 0.00 1.63 0.05 0.00 0.00 179.01 182.02 2wh4 n LYS 41 N -3.72 0.00 0.00 1.06 5.02 -0.41 -4.76 118.16 115.35 2wh4 n LYS 41 Ca -0.22 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 2wh4 n LYS 41 Cb 1.04 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 2wh4 n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2wh4 n ASP 42 N -0.94 0.00 0.00 4.39 8.00 0.11 -4.98 116.55 123.12 2wh4 n ASP 42 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2wh4 n ASP 42 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2wh4 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wh4 n GLY 43 N 2.47 -0.02 0.00 0.44 0.00 -0.91 -4.87 105.19 102.31 2wh4 n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh4 n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wh4 n TYR 44 N 0.00 0.00 -1.56 1.61 4.11 -1.26 -4.72 117.16 115.34 2wh4 n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2wh4 n TYR 44 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.36 2wh4 n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 2wh4 n THR 45 N 0.00 -8.58 -3.62 -3.48 -1.04 -1.12 -4.69 114.28 91.75 2wh4 n THR 45 Ca 0.00 1.89 -0.00 0.00 -2.04 0.00 0.00 64.05 63.90 2wh4 n THR 45 Cb 0.21 -4.37 -0.01 0.00 -1.82 0.00 0.00 70.33 64.33 2wh4 n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wh4 s ALA 46 N -0.31 -2.30 -0.02 2.41 0.00 -0.63 -3.08 121.76 117.83 2wh4 s ALA 46 Ca 0.00 1.59 0.07 0.00 0.00 0.00 0.00 51.96 53.62 2wh4 s ALA 46 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2wh4 s ALA 46 CO 0.00 -0.72 -0.23 0.08 0.00 0.00 0.00 175.76 174.90 2wh4 s VAL 47 N -2.04 1.79 -0.88 0.00 1.01 -1.21 -0.33 120.40 118.73 2wh4 s VAL 47 Ca 0.13 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2wh4 s VAL 47 Cb 0.02 -1.49 0.28 0.00 0.00 0.00 0.00 36.38 35.19 2wh4 s VAL 47 CO -0.04 0.51 1.13 1.67 0.00 0.00 0.00 175.10 178.37 2wh4 n GLN 48 N 2.55 3.56 -1.97 2.72 7.27 -0.71 -1.05 117.38 129.75 2wh4 n GLN 48 Ca -0.16 -4.61 -0.40 0.00 0.07 0.00 0.00 57.00 51.91 2wh4 n GLN 48 Cb 0.52 -2.40 -0.01 0.00 2.41 0.00 0.00 30.24 30.77 2wh4 n GLN 48 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2wh4 s LEU 49 N -2.59 4.30 0.00 1.69 1.02 -1.08 -2.54 118.68 119.49 2wh4 s LEU 49 Ca 0.35 2.81 0.04 0.00 0.02 0.00 0.00 54.13 57.35 2wh4 s LEU 49 Cb 0.08 -3.76 0.10 0.00 0.02 0.00 0.00 46.19 42.64 2wh4 s LEU 49 CO 0.04 -0.79 0.74 0.61 0.02 0.00 0.00 176.35 176.97 2wh4 n GLY 50 N 0.64 1.35 3.59 -3.19 0.00 -1.14 -1.40 105.19 105.03 2wh4 n GLY 50 Ca 0.02 -2.12 -0.07 0.00 0.00 0.00 0.00 46.02 43.85 2wh4 n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wh4 s PHE 51 N -2.23 -0.23 0.11 1.61 2.19 -1.25 -4.15 117.98 114.02 2wh4 s PHE 51 Ca 0.53 0.33 0.00 0.00 0.33 0.00 0.00 56.93 58.11 2wh4 s PHE 51 Cb -0.04 0.48 0.00 0.00 -1.31 0.00 0.00 43.02 42.16 2wh4 s PHE 51 CO 0.34 -0.26 0.00 -0.11 1.83 0.00 0.00 175.22 177.02 2wh4 n LEU 52 N 0.39 -6.05 0.00 6.12 7.94 -1.26 -3.18 117.00 120.96 2wh4 n LEU 52 Ca -0.05 2.87 0.00 0.00 -1.11 0.00 0.00 56.01 57.71 2wh4 n LEU 52 Cb 0.59 -3.05 0.00 0.00 0.53 0.00 0.00 43.42 41.49 2wh4 n LEU 52 CO 0.12 -2.16 0.00 -0.81 -1.11 0.00 0.00 177.39 173.43 2wh4 n PRO 53 N 1.74 0.00 0.00 1.96 -0.04 -1.26 -1.29 135.00 136.11 2wh4 n PRO 53 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2wh4 n PRO 53 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2wh4 n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wh4 n GLN 54 N 0.00 0.00 -3.19 0.54 10.64 -1.26 -3.57 117.38 120.55 2wh4 n GLN 54 Ca 0.00 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.18 2wh4 n GLN 54 Cb 0.00 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.37 2wh4 n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 2wh4 s ASN 55 N 0.00 -1.35 0.00 2.61 0.02 -1.26 -4.64 114.94 110.32 2wh4 s ASN 55 Ca 0.00 -0.16 0.00 0.00 -1.02 0.00 0.00 52.86 51.68 2wh4 s ASN 55 Cb 0.00 1.89 0.00 0.00 0.02 0.00 0.00 41.25 43.16 2wh4 s ASN 55 CO 0.00 -0.27 0.15 -2.65 0.02 0.00 0.00 177.10 174.35 2wh4 n PRO 56 N 5.13 0.08 -2.24 -0.60 -0.02 -1.26 -4.62 135.00 131.47 2wh4 n PRO 56 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2wh4 n PRO 56 Cb 0.54 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 2wh4 n PRO 56 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wh4 n LYS 57 N 1.82 -4.23 0.00 -0.52 5.02 -1.26 -4.98 118.16 114.01 2wh4 n LYS 57 Ca 0.00 3.05 0.00 0.00 -2.02 0.00 0.00 58.31 59.34 2wh4 n LYS 57 Cb 0.04 -3.83 0.00 0.00 -0.02 0.00 0.00 35.03 31.22 2wh4 n LYS 57 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wh4 n ARG 58 N 1.89 0.00 -0.09 1.97 1.74 -1.26 -4.90 116.66 116.00 2wh4 n ARG 58 Ca 0.00 -0.11 0.08 0.00 -0.77 0.00 0.00 57.85 57.05 2wh4 n ARG 58 Cb 0.00 -0.32 0.43 0.00 -1.02 0.00 0.00 32.46 31.56 2wh4 n ARG 58 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2wh4 h VAL 59 N 1.71 0.99 -0.19 1.55 3.04 -1.93 -3.48 116.25 117.94 2wh4 h VAL 59 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2wh4 h VAL 59 Cb 0.68 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 2wh4 h VAL 59 CO 0.00 0.10 0.00 -0.46 -1.01 0.00 0.00 177.57 176.20 2wh4 n ASN 60 N -4.48 -0.58 0.00 3.17 0.23 -1.26 -4.00 115.26 108.34 2wh4 n ASN 60 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 2wh4 n ASN 60 Cb 0.24 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 2wh4 n ASN 60 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2wh4 n ARG 61 N 0.00 0.00 -2.17 -3.83 0.63 -1.26 -2.12 116.66 107.92 2wh4 n ARG 61 Ca 0.00 0.21 -0.36 0.00 -0.92 0.00 0.00 57.85 56.78 2wh4 n ARG 61 Cb 0.00 -0.36 -0.04 0.00 0.45 0.00 0.00 32.46 32.52 2wh4 n ARG 61 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2wh4 n PRO 62 N -1.28 2.25 0.06 -0.14 -0.04 -1.26 -4.54 135.00 130.06 2wh4 n PRO 62 Ca 0.00 -2.73 -0.14 0.00 -0.04 0.00 0.00 63.50 60.59 2wh4 n PRO 62 Cb 0.00 -3.56 -0.14 0.00 -0.04 0.00 0.00 33.50 29.76 2wh4 n PRO 62 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2wh4 h LEU 63 N 15.12 0.30 -1.82 1.53 6.46 -1.62 -3.47 115.31 131.81 2wh4 h LEU 63 Ca 0.34 -0.39 -0.39 0.00 -0.12 0.00 0.00 57.88 57.32 2wh4 h LEU 63 Cb 0.88 -0.10 -0.16 0.00 -0.73 0.00 0.00 40.66 40.55 2wh4 h LEU 63 CO 1.41 1.32 -0.60 1.17 -0.62 0.00 0.00 178.44 181.11 2wh4 n LYS 64 N -3.41 -0.92 0.08 1.25 4.81 -1.26 -4.63 118.16 114.07 2wh4 n LYS 64 Ca -0.12 0.06 0.12 0.00 -0.87 0.00 0.00 58.31 57.50 2wh4 n LYS 64 Cb 1.02 -2.44 0.45 0.00 0.02 0.00 0.00 35.03 34.09 2wh4 n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wh4 n GLY 65 N -1.70 -1.40 0.00 3.14 0.00 -1.26 -4.17 105.19 99.80 2wh4 n GLY 65 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2wh4 n GLY 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wh4 n HIS 66 N -2.02 0.00 -3.42 1.61 -0.00 -1.26 -4.30 115.22 105.83 2wh4 n HIS 66 Ca 0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.48 2wh4 n HIS 66 Cb 0.30 -0.40 -0.03 0.00 -0.00 0.00 0.00 29.99 29.86 2wh4 n HIS 66 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2wh4 s PHE 67 N -3.84 3.48 0.00 1.57 5.99 -1.26 -5.06 117.98 118.86 2wh4 s PHE 67 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 56.93 57.50 2wh4 s PHE 67 Cb 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 43.02 40.98 2wh4 s PHE 67 CO 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 175.22 175.44 2wh4 n ALA 68 N -0.88 0.00 0.00 11.12 0.00 -1.26 -2.64 120.51 126.85 2wh4 n ALA 68 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2wh4 n ALA 68 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2wh4 n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wh4 n LYS 69 N 0.00 0.00 -0.01 0.00 5.02 -1.26 -3.94 118.16 117.97 2wh4 n LYS 69 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 2wh4 n LYS 69 Cb 0.00 -1.01 -0.08 0.00 -0.02 0.00 0.00 35.03 33.92 2wh4 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wh4 h ALA 70 N 3.98 0.22 0.00 7.82 0.00 -1.72 -3.47 119.26 126.09 2wh4 h ALA 70 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2wh4 h ALA 70 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wh4 h ALA 70 CO 0.16 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.39 2wh4 n GLY 71 N 0.80 0.00 3.27 0.00 0.00 -1.25 -2.05 105.19 105.96 2wh4 n GLY 71 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2wh4 n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wh4 n VAL 72 N 0.00 -8.48 -0.96 1.61 0.31 -1.26 -4.86 118.33 104.69 2wh4 n VAL 72 Ca 0.00 -0.44 -0.30 0.00 -0.01 0.00 0.00 64.34 63.59 2wh4 n VAL 72 Cb 0.00 -5.96 0.01 0.00 -0.91 0.00 0.00 33.84 26.98 2wh4 n VAL 72 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wh4 n GLU 73 N -2.37 0.00 -3.18 5.55 4.07 -0.87 -4.67 120.64 119.17 2wh4 n GLU 73 Ca -0.07 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.63 2wh4 n GLU 73 Cb 0.56 -0.78 -0.06 0.00 -0.06 0.00 0.00 31.44 31.10 2wh4 n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2wh4 s PRO 74 N -0.85 4.26 0.00 5.31 0.04 -1.26 -4.55 135.00 137.96 2wh4 s PRO 74 Ca 0.43 0.56 0.00 0.00 0.04 0.00 0.00 61.00 62.03 2wh4 s PRO 74 Cb -0.37 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.64 2wh4 s PRO 74 CO 0.53 -0.10 0.93 0.28 0.04 0.00 0.00 177.00 178.68 2wh4 n VAL 75 N 4.34 0.00 -1.55 -0.36 0.31 -0.41 -3.91 118.33 116.75 2wh4 n VAL 75 Ca -0.03 1.43 -0.21 0.00 -0.01 0.00 0.00 64.34 65.52 2wh4 n VAL 75 Cb 0.50 -2.15 -0.08 0.00 -0.91 0.00 0.00 33.84 31.21 2wh4 n VAL 75 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wh4 n ARG 76 N -2.32 0.60 -0.45 5.55 3.00 -1.19 -4.76 116.66 117.09 2wh4 n ARG 76 Ca 0.00 -0.52 -0.16 0.00 -0.01 0.00 0.00 57.85 57.16 2wh4 n ARG 76 Cb 0.00 -3.29 -0.01 0.00 0.00 0.00 0.00 32.46 29.16 2wh4 n ARG 76 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2wh4 n ILE 77 N 8.23 0.60 -1.73 0.55 5.41 -1.25 -3.84 119.36 127.32 2wh4 n ILE 77 Ca 0.47 -0.15 -0.37 0.00 1.00 0.00 0.00 62.75 63.70 2wh4 n ILE 77 Cb 0.42 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.42 2wh4 n ILE 77 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 2wh4 s LEU 78 N 0.89 3.57 -0.01 1.39 2.34 -1.26 -4.75 118.68 120.85 2wh4 s LEU 78 Ca 0.21 2.63 0.01 0.00 0.06 0.00 0.00 54.13 57.05 2wh4 s LEU 78 Cb -0.30 -4.62 0.00 0.00 -0.56 0.00 0.00 46.19 40.71 2wh4 s LEU 78 CO 0.18 -2.03 -0.04 -0.13 -1.06 0.00 0.00 176.35 173.27 2wh4 s ARG 79 N -3.38 0.41 0.91 1.48 3.00 -0.49 -4.96 118.95 115.91 2wh4 s ARG 79 Ca 0.83 -0.15 -0.12 0.00 0.00 0.00 0.00 55.73 56.29 2wh4 s ARG 79 Cb -0.38 -0.41 0.14 0.00 0.00 0.00 0.00 34.95 34.30 2wh4 s ARG 79 CO 0.40 0.07 1.10 -1.21 0.00 0.00 0.00 175.30 175.66 2wh4 s GLU 80 N 0.03 1.16 0.00 3.54 2.02 -1.24 -2.63 118.70 121.58 2wh4 s GLU 80 Ca 0.00 0.63 0.00 0.00 0.02 0.00 0.00 54.97 55.62 2wh4 s GLU 80 Cb -0.04 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.38 2wh4 s GLU 80 CO -0.00 -2.26 0.05 -0.89 0.02 0.00 0.00 175.26 172.18 2wh4 n ILE 81 N -3.87 0.00 -4.09 -1.63 2.08 -0.21 -4.92 119.36 106.73 2wh4 n ILE 81 Ca 0.06 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.25 2wh4 n ILE 81 Cb 0.57 1.30 0.00 0.00 -0.75 0.00 0.00 39.64 40.75 2wh4 n ILE 81 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2wh4 n ARG 82 N -0.15 0.00 -0.06 0.38 5.12 -1.26 -4.44 116.66 116.25 2wh4 n ARG 82 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wh4 n ARG 82 Cb 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.37 2wh4 n ARG 82 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2wh4 n ASP 83 N 1.66 0.00 -3.41 0.55 8.00 -1.18 -3.34 116.55 118.83 2wh4 n ASP 83 Ca 0.00 -1.79 -0.27 0.00 0.71 0.00 0.00 54.79 53.45 2wh4 n ASP 83 Cb 0.00 -0.41 -0.10 0.00 -0.02 0.00 0.00 41.12 40.59 2wh4 n ASP 83 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2wh4 n PHE 84 N 4.57 -0.27 -3.05 1.24 -0.00 -1.26 -0.13 117.46 118.56 2wh4 n PHE 84 Ca 0.00 -3.48 -0.42 0.00 -0.00 0.00 0.00 57.45 53.55 2wh4 n PHE 84 Cb 0.00 0.05 -0.06 0.00 -0.00 0.00 0.00 39.48 39.47 2wh4 n PHE 84 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 2wh4 s ASN 85 N -0.38 6.48 0.52 -2.13 3.84 -1.26 -4.42 114.94 117.59 2wh4 s ASN 85 Ca 0.33 0.23 0.07 0.00 0.21 0.00 0.00 52.86 53.70 2wh4 s ASN 85 Cb 0.06 -2.35 0.04 0.00 -0.55 0.00 0.00 41.25 38.44 2wh4 s ASN 85 CO -0.18 -0.65 0.53 -2.16 -2.79 0.00 0.00 177.10 171.85 2wh4 s PRO 86 N 2.86 2.35 -0.28 0.43 0.04 -1.26 -4.98 135.00 134.16 2wh4 s PRO 86 Ca 0.27 -1.77 -0.29 0.00 0.04 0.00 0.00 61.00 59.26 2wh4 s PRO 86 Cb -0.14 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 2wh4 s PRO 86 CO 0.16 -0.59 1.68 -1.83 0.04 0.00 0.00 177.00 176.46 2wh4 s GLU 87 N -4.37 3.59 0.03 4.56 -1.05 -1.26 -4.87 118.70 115.32 2wh4 s GLU 87 Ca 0.47 1.52 -0.07 0.00 -0.15 0.00 0.00 54.97 56.73 2wh4 s GLU 87 Cb -0.04 -4.10 -0.04 0.00 -0.44 0.00 0.00 34.13 29.51 2wh4 s GLU 87 CO 0.29 -1.55 0.16 0.41 0.95 0.00 0.00 175.26 175.52 2wh4 n GLY 88 N 5.02 -0.27 0.00 -3.83 0.00 -1.26 -4.71 105.19 100.14 2wh4 n GLY 88 Ca 0.20 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2wh4 n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wh4 n ASP 89 N 0.41 -0.75 0.00 1.61 2.03 -1.26 -5.05 116.55 113.54 2wh4 n ASP 89 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2wh4 n ASP 89 Cb 0.04 0.74 0.00 0.00 -0.72 0.00 0.00 41.12 41.18 2wh4 n ASP 89 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2wh4 n THR 90 N -0.22 0.00 -4.39 5.18 -1.04 -1.26 -4.80 114.28 107.75 2wh4 n THR 90 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 2wh4 n THR 90 Cb 0.00 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 2wh4 n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wh4 s VAL 91 N 0.00 3.99 0.12 12.58 1.01 -0.28 -4.91 120.40 132.91 2wh4 s VAL 91 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2wh4 s VAL 91 Cb 0.00 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.65 2wh4 s VAL 91 CO 0.00 0.51 0.04 0.35 0.00 0.00 0.00 175.10 176.00 2wh4 n THR 92 N 3.30 0.00 0.09 3.92 -2.24 -1.26 -0.57 114.28 117.51 2wh4 n THR 92 Ca -0.17 -0.52 -0.08 0.00 -2.27 0.00 0.00 64.05 61.01 2wh4 n THR 92 Cb 0.53 -0.13 0.02 0.00 -2.10 0.00 0.00 70.33 68.65 2wh4 n THR 92 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wh4 h VAL 93 N 0.81 1.48 0.00 2.28 2.07 -1.89 -3.25 116.25 117.76 2wh4 h VAL 93 Ca -0.09 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 64.94 2wh4 h VAL 93 Cb 0.29 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2wh4 h VAL 93 CO 0.14 0.73 0.03 -0.62 0.02 0.00 0.00 177.57 177.87 2wh4 n GLU 94 N -3.70 0.00 0.08 1.57 1.02 -1.26 -1.84 120.64 116.52 2wh4 n GLU 94 Ca -0.03 0.12 -0.03 0.00 -0.02 0.00 0.00 57.16 57.20 2wh4 n GLU 94 Cb 0.77 -1.53 0.21 0.00 -0.02 0.00 0.00 31.44 30.87 2wh4 n GLU 94 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2wh4 h ILE 95 N 0.00 1.31 -2.81 -3.67 5.03 -1.98 -3.42 117.51 111.97 2wh4 h ILE 95 Ca 0.00 -1.53 -0.64 0.00 -0.12 0.00 0.00 64.86 62.57 2wh4 h ILE 95 Cb 0.05 1.67 -0.06 0.00 -3.03 0.00 0.00 36.82 35.45 2wh4 h ILE 95 CO 0.00 0.46 -0.41 -0.36 -0.68 0.00 0.00 178.15 177.16 2wh4 s PHE 96 N -4.15 3.60 -0.07 1.37 0.08 -0.77 -5.10 117.98 112.94 2wh4 s PHE 96 Ca -0.05 0.59 0.04 0.00 0.12 0.00 0.00 56.93 57.63 2wh4 s PHE 96 Cb 0.13 -2.00 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 2wh4 s PHE 96 CO 0.78 0.67 -0.18 0.15 -0.10 0.00 0.00 175.22 176.53 2wh4 s LYS 97 N -1.41 2.30 -0.21 0.44 1.02 -1.26 -4.93 119.74 115.69 2wh4 s LYS 97 Ca 0.22 -0.66 -0.20 0.00 0.02 0.00 0.00 55.97 55.35 2wh4 s LYS 97 Cb -0.13 -1.83 -0.09 0.00 -0.52 0.00 0.00 37.83 35.26 2wh4 s LYS 97 CO 0.11 0.14 0.68 -2.30 -0.92 0.00 0.00 175.35 173.07 2wh4 n PRO 98 N 3.53 0.00 0.00 -1.68 -0.02 -1.26 -2.10 135.00 133.47 2wh4 n PRO 98 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 2wh4 n PRO 98 Cb 0.52 -0.64 0.00 0.00 -0.02 0.00 0.00 33.50 33.37 2wh4 n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wh4 n GLY 99 N 1.69 1.15 3.89 -1.23 0.00 0.15 -5.01 105.19 105.82 2wh4 n GLY 99 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2wh4 n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wh4 s GLU 100 N -0.53 1.71 -0.11 1.61 2.02 -0.89 -4.68 118.70 117.81 2wh4 s GLU 100 Ca 0.00 0.08 0.02 0.00 0.02 0.00 0.00 54.97 55.09 2wh4 s GLU 100 Cb 0.00 -1.92 -0.01 0.00 0.10 0.00 0.00 34.13 32.30 2wh4 s GLU 100 CO 0.00 -1.77 -0.20 1.03 0.02 0.00 0.00 175.26 174.35 2wh4 s ARG 101 N -5.57 3.19 0.26 1.61 0.52 -1.26 -0.71 118.95 116.99 2wh4 s ARG 101 Ca 0.63 -0.80 0.08 0.00 -0.52 0.00 0.00 55.73 55.13 2wh4 s ARG 101 Cb -0.11 -2.44 -0.05 0.00 0.52 0.00 0.00 34.95 32.87 2wh4 s ARG 101 CO 0.50 0.19 -0.12 0.14 0.02 0.00 0.00 175.30 176.03 2wh4 s VAL 102 N 0.35 1.89 -0.20 3.52 -7.23 0.68 -2.37 120.40 117.04 2wh4 s VAL 102 Ca -0.16 -2.22 -0.03 0.00 -1.81 0.00 0.00 61.98 57.77 2wh4 s VAL 102 Cb -0.17 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.47 2wh4 s VAL 102 CO 0.08 -0.42 -0.08 -1.81 -0.31 0.00 0.00 175.10 172.56 2wh4 s ASP 103 N -3.43 4.09 -0.12 4.85 1.01 -0.60 0.91 116.67 123.39 2wh4 s ASP 103 Ca 0.27 -0.42 -0.03 0.00 0.71 0.00 0.00 52.55 53.09 2wh4 s ASP 103 Cb 0.00 -1.68 -0.03 0.00 1.01 0.00 0.00 42.92 42.22 2wh4 s ASP 103 CO 0.11 0.01 -0.02 -0.69 0.21 0.00 0.00 175.17 174.79 2wh4 s VAL 104 N 1.28 4.05 -0.14 -1.27 1.01 -1.05 -1.70 120.40 122.58 2wh4 s VAL 104 Ca 0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 2wh4 s VAL 104 Cb -0.14 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 2wh4 s VAL 104 CO -0.04 0.54 -0.13 -0.89 0.00 0.00 0.00 175.10 174.58 2wh4 s THR 105 N -0.17 2.93 0.13 3.92 2.01 -0.12 -2.14 115.64 122.20 2wh4 s THR 105 Ca 0.04 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.37 2wh4 s THR 105 Cb -0.13 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 2wh4 s THR 105 CO 0.02 0.51 0.10 0.61 -0.69 0.00 0.00 174.62 175.18 2wh4 n GLY 106 N 3.81 3.63 3.03 4.40 0.00 -0.56 -1.45 105.19 118.05 2wh4 n GLY 106 Ca -0.18 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 2wh4 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wh4 s THR 107 N -2.46 2.49 0.34 2.61 2.01 -1.26 -1.16 115.64 118.21 2wh4 s THR 107 Ca 0.14 -2.37 -0.23 0.00 0.31 0.00 0.00 61.69 59.53 2wh4 s THR 107 Cb 0.01 -2.80 -0.16 0.00 0.01 0.00 0.00 72.50 69.55 2wh4 s THR 107 CO 0.10 -0.63 0.25 -1.54 -0.69 0.00 0.00 174.62 172.11 2wh4 n SER 108 N 4.22 -2.25 -4.71 3.53 3.41 -0.66 -2.86 113.62 114.30 2wh4 n SER 108 Ca 0.03 0.92 -0.42 0.00 -0.26 0.00 0.00 58.87 59.14 2wh4 n SER 108 Cb 0.41 -0.92 -0.03 0.00 -0.26 0.00 0.00 64.21 63.42 2wh4 n SER 108 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2wh4 s LYS 109 N -1.03 4.14 -0.39 4.33 1.02 -1.26 0.16 119.74 126.71 2wh4 s LYS 109 Ca 0.61 2.56 -0.29 0.00 0.02 0.00 0.00 55.97 58.87 2wh4 s LYS 109 Cb -0.73 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.28 2wh4 s LYS 109 CO 0.60 -0.77 1.49 0.20 -0.92 0.00 0.00 175.35 175.96 2wh4 s GLY 110 N 1.80 1.04 -0.01 -3.33 0.00 -1.26 -3.30 107.32 102.25 2wh4 s GLY 110 Ca 0.76 -0.07 0.01 0.00 0.00 0.00 0.00 44.72 45.43 2wh4 s GLY 110 CO 0.33 2.87 0.79 0.54 0.00 0.00 0.00 173.10 177.63 2wh4 n ARG 111 N 8.15 1.20 0.00 2.90 1.74 0.23 -4.79 116.66 126.08 2wh4 n ARG 111 Ca 0.18 -0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2wh4 n ARG 111 Cb 0.48 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 2wh4 n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh4 n GLY 112 N 0.28 0.65 3.36 -0.13 0.00 -1.24 -3.86 105.19 104.26 2wh4 n GLY 112 Ca 0.02 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 2wh4 n GLY 112 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wh4 n PHE 113 N 0.00 3.89 -2.47 1.61 -0.00 -1.26 -2.08 117.46 117.15 2wh4 n PHE 113 Ca 0.00 -2.57 -0.41 0.00 -0.00 0.00 0.00 57.45 54.48 2wh4 n PHE 113 Cb 0.00 -2.55 -0.04 0.00 -0.00 0.00 0.00 39.48 36.89 2wh4 n PHE 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wh4 s ALA 114 N 5.19 3.40 0.66 3.13 0.00 0.13 -4.83 121.76 129.44 2wh4 s ALA 114 Ca 0.55 0.88 -0.09 0.00 0.00 0.00 0.00 51.96 53.30 2wh4 s ALA 114 Cb 0.06 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.85 2wh4 s ALA 114 CO 0.05 -0.19 1.01 0.20 0.00 0.00 0.00 175.76 176.84 2wh4 s GLY 115 N -0.58 1.62 0.86 0.00 0.00 -1.26 -2.10 107.32 105.86 2wh4 s GLY 115 Ca 0.47 -0.50 -0.11 0.00 0.00 0.00 0.00 44.72 44.58 2wh4 s GLY 115 CO 0.39 -0.16 1.14 0.54 0.00 0.00 0.00 173.10 175.01 2wh4 s VAL 116 N -3.20 2.37 -0.38 1.40 0.11 -1.26 -2.77 120.40 116.66 2wh4 s VAL 116 Ca 0.56 0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 59.72 2wh4 s VAL 116 Cb -0.11 -2.31 -0.02 0.00 -1.53 0.00 0.00 36.38 32.41 2wh4 s VAL 116 CO 0.49 -0.15 0.34 0.80 -3.33 0.00 0.00 175.10 173.25 2wh4 n MET 117 N -3.92 -0.81 0.00 1.54 0.00 -1.26 -4.62 117.12 108.05 2wh4 n MET 117 Ca 0.11 0.42 0.00 0.00 -0.00 0.00 0.00 57.70 58.23 2wh4 n MET 117 Cb 0.52 -3.16 0.00 0.00 0.00 0.00 0.00 33.22 30.58 2wh4 n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2wh4 n LYS 118 N -2.03 0.00 0.00 2.12 0.00 -1.25 -4.74 118.16 112.26 2wh4 n LYS 118 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.33 2wh4 n LYS 118 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.56 2wh4 n LYS 118 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wh4 n ARG 119 N 0.00 2.70 0.00 1.64 0.00 -1.11 -4.67 116.66 115.21 2wh4 n ARG 119 Ca 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 57.85 57.43 2wh4 n ARG 119 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 32.46 31.46 2wh4 n ARG 119 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2wh4 n TRP 120 N -0.50 0.00 -1.74 -0.14 5.03 -1.26 -5.01 117.44 113.81 2wh4 n TRP 120 Ca 0.03 0.00 -0.12 0.00 3.03 0.00 0.00 57.50 60.44 2wh4 n TRP 120 Cb 0.16 0.01 -0.03 0.00 -1.03 0.00 0.00 31.31 30.42 2wh4 n TRP 120 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 2wh4 n ASN 121 N 0.00 -4.08 -4.58 -0.99 4.13 -1.26 -4.78 115.26 103.70 2wh4 n ASN 121 Ca 0.00 0.15 -0.34 0.00 1.68 0.00 0.00 54.58 56.07 2wh4 n ASN 121 Cb 0.09 -2.93 0.12 0.00 -1.54 0.00 0.00 39.78 35.52 2wh4 n ASN 121 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2wh4 n PHE 122 N -3.29 0.23 0.20 3.10 3.01 -1.26 -4.84 117.46 114.60 2wh4 n PHE 122 Ca -0.13 0.36 0.07 0.00 1.01 0.00 0.00 57.45 58.77 2wh4 n PHE 122 Cb 0.48 -1.99 0.32 0.00 -0.01 0.00 0.00 39.48 38.29 2wh4 n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wh4 h ALA 123 N -0.98 0.94 -0.26 4.37 0.00 -1.94 -3.41 119.26 117.97 2wh4 h ALA 123 Ca -0.45 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2wh4 h ALA 123 Cb 1.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wh4 h ALA 123 CO 0.42 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.48 2wh4 n GLY 124 N 0.44 2.11 2.39 0.00 0.00 -1.26 -4.89 105.19 103.98 2wh4 n GLY 124 Ca 0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 2wh4 n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh4 n GLY 125 N 0.00 2.13 3.63 -0.02 0.00 0.21 -4.64 105.19 106.50 2wh4 n GLY 125 Ca 0.00 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 2wh4 n GLY 125 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wh4 s PRO 126 N -2.43 3.81 0.63 1.61 0.02 -1.26 -4.84 135.00 132.54 2wh4 s PRO 126 Ca 0.18 1.52 0.26 0.00 0.02 0.00 0.00 61.00 62.98 2wh4 s PRO 126 Cb -0.01 -4.00 1.36 0.00 0.02 0.00 0.00 34.50 31.87 2wh4 s PRO 126 CO 0.13 -1.27 1.77 -0.44 -0.33 0.00 0.00 177.00 176.86 2wh4 h ASP 127 N 10.40 0.00 -0.42 2.53 5.19 -1.97 -3.44 116.42 128.71 2wh4 h ASP 127 Ca -0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 2wh4 h ASP 127 Cb 1.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.65 2wh4 h ASP 127 CO 1.01 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 175.59 2wh4 n SER 128 N -3.22 0.00 0.00 6.45 3.41 -1.26 -4.98 113.62 114.02 2wh4 n SER 128 Ca 0.04 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 2wh4 n SER 128 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 2wh4 n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wh4 n HIS 129 N 0.00 0.00 0.00 7.33 8.25 -1.26 -4.95 115.22 124.59 2wh4 n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wh4 n HIS 129 Cb 0.00 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.78 2wh4 n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wh4 n GLY 130 N -2.09 2.42 0.47 -1.41 0.00 -1.26 -5.05 105.19 98.28 2wh4 n GLY 130 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2wh4 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh4 n ALA 131 N -0.05 -0.24 0.00 4.61 0.00 -1.26 -4.49 120.51 119.08 2wh4 n ALA 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wh4 n ALA 131 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wh4 n ALA 131 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2wh4 n HIS 132 N -0.08 0.00 -0.27 0.00 -0.00 -1.26 -3.40 115.22 110.21 2wh4 n HIS 132 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 2wh4 n HIS 132 Cb 0.00 -0.04 0.13 0.00 -0.00 0.00 0.00 29.99 30.08 2wh4 n HIS 132 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 2wh4 h LYS 133 N 1.34 1.13 -1.80 -1.40 1.57 -1.97 -3.28 116.57 112.16 2wh4 h LYS 133 Ca 0.00 -0.15 -0.63 0.00 -1.87 0.00 0.00 60.65 57.99 2wh4 h LYS 133 Cb 0.00 -0.21 -0.39 0.00 0.08 0.00 0.00 32.23 31.71 2wh4 h LYS 133 CO 0.00 0.86 -0.31 0.44 -0.57 0.00 0.00 179.45 179.87 2wh4 n ILE 134 N -4.32 2.95 0.03 1.86 -0.00 -1.22 -4.95 119.36 113.71 2wh4 n ILE 134 Ca 0.08 -5.03 -0.03 0.00 -0.00 0.00 0.00 62.75 57.76 2wh4 n ILE 134 Cb 0.13 -1.31 -0.02 0.00 -0.00 0.00 0.00 39.64 38.44 2wh4 n ILE 134 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.55 177.00 2wh4 h HIS 135 N 2.83 -0.27 -1.06 4.28 3.86 -1.87 -3.17 115.15 119.74 2wh4 h HIS 135 Ca 0.32 0.01 -0.68 0.00 -1.16 0.00 0.00 60.37 58.86 2wh4 h HIS 135 Cb 0.65 0.11 -0.29 0.00 1.06 0.00 0.00 27.41 28.94 2wh4 h HIS 135 CO 0.91 -0.11 0.89 0.54 0.86 0.00 0.00 177.93 181.02 2wh4 n ARG 136 N -2.94 2.68 -3.35 2.45 1.74 -1.26 0.65 116.66 116.64 2wh4 n ARG 136 Ca -0.02 -3.28 -0.27 0.00 -0.77 0.00 0.00 57.85 53.51 2wh4 n ARG 136 Cb 0.08 -2.28 -0.02 0.00 -1.02 0.00 0.00 32.46 29.21 2wh4 n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2wh4 s HIS 137 N -3.82 3.49 0.47 -1.55 3.76 -1.20 -4.87 115.29 111.57 2wh4 s HIS 137 Ca 0.64 0.53 0.18 0.00 -0.15 0.00 0.00 55.06 56.26 2wh4 s HIS 137 Cb 0.50 -2.02 1.19 0.00 1.11 0.00 0.00 32.58 33.36 2wh4 s HIS 137 CO -0.04 0.15 2.06 -1.00 -0.85 0.00 0.00 174.74 175.07 2wh4 h PRO 138 N 1.35 0.00 0.00 8.40 0.13 -1.91 -3.38 132.00 136.59 2wh4 h PRO 138 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2wh4 h PRO 138 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wh4 h PRO 138 CO 0.65 0.12 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 2wh4 n GLY 139 N -1.11 0.58 3.85 1.56 0.00 -1.26 -4.88 105.19 103.93 2wh4 n GLY 139 Ca -0.03 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 2wh4 n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wh4 s SER 140 N -4.00 6.43 0.00 1.61 0.15 -1.26 -4.99 113.70 111.63 2wh4 s SER 140 Ca 0.00 1.52 0.00 0.00 0.70 0.00 0.00 55.95 58.17 2wh4 s SER 140 Cb 0.00 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2wh4 s SER 140 CO 0.00 -0.73 0.50 2.30 1.20 0.00 0.00 173.24 176.51 2wh4 n ILE 141 N -2.08 0.23 -2.58 6.45 -5.35 -1.26 -5.12 119.36 109.64 2wh4 n ILE 141 Ca 0.06 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 2wh4 n ILE 141 Cb 0.54 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.55 2wh4 n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wh4 n GLY 142 N -0.12 2.08 0.00 3.28 0.00 -1.26 -4.77 105.19 104.40 2wh4 n GLY 142 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2wh4 n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wh4 n ASN 143 N -0.18 0.00 0.00 1.61 5.03 -1.26 -5.15 115.26 115.30 2wh4 n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2wh4 n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2wh4 n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2wh4 n ARG 144 N 0.00 0.00 0.23 3.52 5.12 -1.26 -4.98 116.66 119.28 2wh4 n ARG 144 Ca 0.00 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.07 2wh4 n ARG 144 Cb 0.00 0.00 0.81 0.00 -1.16 0.00 0.00 32.46 32.11 2wh4 n ARG 144 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2wh4 h LYS 145 N 0.00 0.00 -4.80 5.56 1.79 -2.01 -1.09 116.57 116.03 2wh4 h LYS 145 Ca 0.00 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 2wh4 h LYS 145 Cb 0.00 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 30.30 2wh4 h LYS 145 CO 0.00 0.00 -0.84 0.95 -1.08 0.00 0.00 179.45 178.48 2wh4 s THR 146 N -4.75 1.71 -0.08 -0.16 -4.23 -1.26 -2.72 115.64 104.15 2wh4 s THR 146 Ca -0.05 -0.73 0.29 0.00 -1.18 0.00 0.00 61.69 60.03 2wh4 s THR 146 Cb 0.16 -1.58 0.36 0.00 1.34 0.00 0.00 72.50 72.78 2wh4 s THR 146 CO 0.59 0.48 1.84 1.55 -0.54 0.00 0.00 174.62 178.54 2wh4 h PRO 147 N 7.95 0.00 -3.34 3.99 0.13 -1.98 -3.44 132.00 135.31 2wh4 h PRO 147 Ca -0.40 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.58 2wh4 h PRO 147 Cb 1.14 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.34 2wh4 h PRO 147 CO 0.56 0.02 -0.31 0.41 -0.23 0.00 0.00 178.00 178.45 2wh4 n GLY 148 N 0.42 0.20 3.75 1.56 0.00 -0.41 -5.01 105.19 105.70 2wh4 n GLY 148 Ca 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 2wh4 n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wh4 n ARG 149 N -2.39 0.57 -4.94 1.61 1.85 -1.26 -5.02 116.66 107.08 2wh4 n ARG 149 Ca -0.06 -1.35 -0.31 0.00 -1.00 0.00 0.00 57.85 55.13 2wh4 n ARG 149 Cb 0.55 1.86 -0.17 0.00 -1.05 0.00 0.00 32.46 33.65 2wh4 n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2wh4 s VAL 150 N -2.07 1.87 0.01 8.89 1.01 -1.26 -4.75 120.40 124.12 2wh4 s VAL 150 Ca 0.23 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 2wh4 s VAL 150 Cb -0.02 -1.64 -0.14 0.00 0.00 0.00 0.00 36.38 34.57 2wh4 s VAL 150 CO 0.05 0.52 0.73 -1.22 0.00 0.00 0.00 175.10 175.17 2wh4 n TYR 151 N 3.74 0.38 0.33 5.22 4.01 -1.26 -4.77 117.16 124.81 2wh4 n TYR 151 Ca -0.20 0.76 0.21 0.00 -0.16 0.00 0.00 57.90 58.51 2wh4 n TYR 151 Cb 0.52 -1.49 1.15 0.00 -0.31 0.00 0.00 39.34 39.21 2wh4 n TYR 151 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2wh4 h LYS 152 N 2.01 0.00 -0.24 -0.72 1.63 -2.03 -2.53 116.57 114.69 2wh4 h LYS 152 Ca -0.35 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 2wh4 h LYS 152 Cb 1.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 2wh4 h LYS 152 CO 0.46 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.87 2wh4 n GLY 153 N -1.12 3.56 3.39 5.01 0.00 -1.26 -5.07 105.19 109.69 2wh4 n GLY 153 Ca -0.03 -0.70 -0.47 0.00 0.00 0.00 0.00 46.02 44.82 2wh4 n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wh4 n LYS 154 N -0.23 0.01 -2.78 1.61 3.00 -0.96 -4.87 118.16 113.94 2wh4 n LYS 154 Ca 0.15 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.04 2wh4 n LYS 154 Cb 0.63 -1.01 -0.04 0.00 0.00 0.00 0.00 35.03 34.62 2wh4 n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2wh4 s LYS 155 N -1.00 3.79 0.00 1.64 1.02 -1.26 -4.99 119.74 118.93 2wh4 s LYS 155 Ca 0.63 0.53 0.00 0.00 0.02 0.00 0.00 55.97 57.15 2wh4 s LYS 155 Cb -0.88 -3.83 0.00 0.00 -0.52 0.00 0.00 37.83 32.60 2wh4 s LYS 155 CO 0.57 -1.04 0.00 -1.33 -0.92 0.00 0.00 175.35 172.64 2wh4 n MET 156 N 6.95 2.67 -4.08 1.68 2.81 -1.26 -5.08 117.12 120.81 2wh4 n MET 156 Ca 0.08 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.65 2wh4 n MET 156 Cb 0.48 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.92 2wh4 n MET 156 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wh4 s ALA 157 N -2.00 3.57 0.00 3.04 0.00 -1.26 -4.58 121.76 120.53 2wh4 s ALA 157 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2wh4 s ALA 157 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.62 2wh4 s ALA 157 CO 0.00 0.72 0.00 0.41 0.00 0.00 0.00 175.76 176.89 2wh4 n GLY 158 N 0.81 -0.84 3.77 0.00 0.00 -0.89 -4.96 105.19 103.07 2wh4 n GLY 158 Ca -0.11 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 2wh4 n GLY 158 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wh4 s HIS 159 N -4.00 2.98 -0.22 1.61 5.65 -1.26 -0.70 115.29 119.35 2wh4 s HIS 159 Ca 0.00 1.52 -0.06 0.00 0.25 0.00 0.00 55.06 56.77 2wh4 s HIS 159 Cb 0.00 -3.47 0.11 0.00 -1.18 0.00 0.00 32.58 28.04 2wh4 s HIS 159 CO 0.00 -1.54 0.44 -0.47 -0.65 0.00 0.00 174.74 172.52 2wh4 s TYR 160 N -1.38 -0.90 0.00 3.88 6.04 -0.88 -4.83 117.35 119.28 2wh4 s TYR 160 Ca 0.58 1.43 0.00 0.00 0.04 0.00 0.00 57.07 59.11 2wh4 s TYR 160 Cb -0.32 0.29 0.00 0.00 -1.04 0.00 0.00 41.96 40.88 2wh4 s TYR 160 CO 0.41 -0.58 0.00 0.41 -1.54 0.00 0.00 175.55 174.25 2wh4 n GLY 161 N 5.39 -1.38 3.87 8.97 0.00 -1.26 0.74 105.19 121.51 2wh4 n GLY 161 Ca -0.07 -2.19 -0.27 0.00 0.00 0.00 0.00 46.02 43.49 2wh4 n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh4 n ALA 162 N -0.20 -1.62 -2.30 4.61 0.00 0.12 -4.64 120.51 116.49 2wh4 n ALA 162 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2wh4 n ALA 162 Cb 0.00 -3.21 -0.10 0.00 0.00 0.00 0.00 19.45 16.14 2wh4 n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2wh4 s GLU 163 N -6.41 1.21 -0.04 0.00 -1.05 -1.24 -4.89 118.70 106.28 2wh4 s GLU 163 Ca 0.37 -1.55 -0.30 0.00 -0.15 0.00 0.00 54.97 53.34 2wh4 s GLU 163 Cb -0.19 -0.77 -0.06 0.00 -0.44 0.00 0.00 34.13 32.68 2wh4 s GLU 163 CO 0.84 0.06 1.58 0.50 0.95 0.00 0.00 175.26 179.19 2wh4 s ARG 164 N -3.75 4.20 -0.15 -4.83 3.52 -1.26 -1.66 118.95 115.02 2wh4 s ARG 164 Ca 0.21 2.13 -0.01 0.00 -0.13 0.00 0.00 55.73 57.93 2wh4 s ARG 164 Cb 0.03 -3.85 0.04 0.00 -1.56 0.00 0.00 34.95 29.61 2wh4 s ARG 164 CO 0.04 -0.77 -0.03 0.08 -0.81 0.00 0.00 175.30 173.81 2wh4 s VAL 165 N 3.53 0.88 -0.65 7.11 1.01 -0.31 -4.93 120.40 127.04 2wh4 s VAL 165 Ca 0.70 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 2wh4 s VAL 165 Cb -0.33 -1.10 0.17 0.00 0.00 0.00 0.00 36.38 35.12 2wh4 s VAL 165 CO 0.28 0.10 0.49 -0.89 0.00 0.00 0.00 175.10 175.08 2wh4 s THR 166 N 1.73 4.10 0.21 3.92 2.01 -1.26 -1.50 115.64 124.85 2wh4 s THR 166 Ca 0.01 -2.76 -0.30 0.00 0.31 0.00 0.00 61.69 58.95 2wh4 s THR 166 Cb -0.15 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.63 2wh4 s THR 166 CO -0.07 -0.89 1.25 0.54 -0.69 0.00 0.00 174.62 174.75 2wh4 s VAL 167 N 0.11 3.35 0.35 3.82 0.11 -0.91 -4.90 120.40 122.32 2wh4 s VAL 167 Ca 0.16 1.15 0.07 0.00 -2.93 0.00 0.00 61.98 60.43 2wh4 s VAL 167 Cb -0.19 -3.73 -0.01 0.00 -1.53 0.00 0.00 36.38 30.92 2wh4 s VAL 167 CO -0.04 0.19 0.41 -0.04 -3.33 0.00 0.00 175.10 172.29 2wh4 s MET 168 N -0.35 2.93 -0.75 1.54 -1.94 -1.26 -2.54 119.30 116.95 2wh4 s MET 168 Ca 0.54 -1.15 -0.04 0.00 -1.71 0.00 0.00 55.69 53.32 2wh4 s MET 168 Cb -0.35 -2.68 0.01 0.00 2.01 0.00 0.00 34.83 33.82 2wh4 s MET 168 CO 0.39 0.03 0.58 -1.71 -0.01 0.00 0.00 175.02 174.30 2wh4 n ASN 169 N -1.56 -4.60 -4.92 3.03 5.15 -1.15 -4.95 115.26 106.26 2wh4 n ASN 169 Ca 0.00 -0.85 -0.26 0.00 -0.60 0.00 0.00 54.58 52.87 2wh4 n ASN 169 Cb 0.59 -1.51 -0.03 0.00 -0.53 0.00 0.00 39.78 38.30 2wh4 n ASN 169 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2wh4 s LEU 170 N -4.55 4.25 -0.16 1.20 1.02 0.26 -4.80 118.68 115.90 2wh4 s LEU 170 Ca 0.04 0.12 -0.17 0.00 0.02 0.00 0.00 54.13 54.14 2wh4 s LEU 170 Cb -0.00 -2.83 -0.04 0.00 0.02 0.00 0.00 46.19 43.34 2wh4 s LEU 170 CO 0.85 0.05 0.46 -0.70 0.02 0.00 0.00 176.35 177.03 2wh4 s GLU 171 N -3.22 4.26 -0.80 1.70 2.12 -1.26 -0.23 118.70 121.26 2wh4 s GLU 171 Ca 0.34 0.36 -0.25 0.00 0.36 0.00 0.00 54.97 55.78 2wh4 s GLU 171 Cb -0.11 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.79 2wh4 s GLU 171 CO 0.28 0.03 1.60 0.08 -0.54 0.00 0.00 175.26 176.71 2wh4 s VAL 172 N 1.05 3.62 0.39 3.70 1.01 0.11 -2.70 120.40 127.59 2wh4 s VAL 172 Ca 0.23 -0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.24 2wh4 s VAL 172 Cb -0.15 -4.52 0.31 0.00 0.00 0.00 0.00 36.38 32.02 2wh4 s VAL 172 CO 0.09 -1.46 1.95 0.58 0.00 0.00 0.00 175.10 176.27 2wh4 h VAL 173 N 6.67 0.94 -1.49 2.92 2.07 -1.41 0.45 116.25 126.40 2wh4 h VAL 173 Ca -0.09 -0.20 0.30 0.00 0.82 0.00 0.00 66.70 67.53 2wh4 h VAL 173 Cb 1.06 0.29 -0.14 0.00 -1.52 0.00 0.00 31.29 30.98 2wh4 h VAL 173 CO 1.29 0.11 0.81 -0.62 0.02 0.00 0.00 177.57 179.17 2wh4 s ASP 174 N -6.15 -0.09 -0.04 0.57 3.68 -1.09 -4.74 116.67 108.81 2wh4 s ASP 174 Ca -0.09 -0.10 -0.02 0.00 2.13 0.00 0.00 52.55 54.48 2wh4 s ASP 174 Cb 0.20 0.17 0.03 0.00 -1.45 0.00 0.00 42.92 41.87 2wh4 s ASP 174 CO 0.76 -0.30 0.06 0.54 0.13 0.00 0.00 175.17 176.36 2wh4 s VAL 175 N -2.45 -0.10 -0.86 1.11 0.11 -1.26 -1.79 120.40 115.16 2wh4 s VAL 175 Ca 0.12 0.38 -0.07 0.00 -2.93 0.00 0.00 61.98 59.48 2wh4 s VAL 175 Cb 0.03 -0.14 0.22 0.00 -1.53 0.00 0.00 36.38 34.96 2wh4 s VAL 175 CO -0.04 0.16 0.77 -0.63 -3.33 0.00 0.00 175.10 172.02 2wh4 s ILE 176 N 1.91 4.91 0.50 7.04 1.09 -0.55 -4.92 121.20 131.19 2wh4 s ILE 176 Ca 0.02 -3.17 0.16 0.00 -1.10 0.00 0.00 60.65 56.55 2wh4 s ILE 176 Cb -0.12 -4.04 0.29 0.00 -1.06 0.00 0.00 42.46 37.52 2wh4 s ILE 176 CO -0.03 -1.04 2.11 1.55 -0.10 0.00 0.00 174.94 177.42 2wh4 h PRO 177 N 6.89 0.10 -0.93 2.79 0.13 -1.94 -0.81 132.00 138.22 2wh4 h PRO 177 Ca 0.11 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.25 2wh4 h PRO 177 Cb 0.92 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.98 2wh4 h PRO 177 CO 0.82 0.07 0.62 1.05 -0.23 0.00 0.00 178.00 180.33 2wh4 h GLU 178 N 0.11 1.20 -0.00 0.86 4.11 -1.94 -3.08 114.58 115.83 2wh4 h GLU 178 Ca 0.07 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2wh4 h GLU 178 Cb 0.16 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2wh4 h GLU 178 CO -0.01 0.79 -0.62 -1.91 0.07 0.00 0.00 179.01 177.33 2wh4 n GLU 179 N -4.41 1.86 -1.01 1.06 4.07 -1.06 -4.97 120.64 116.19 2wh4 n GLU 179 Ca 0.11 -0.22 -0.00 0.00 -0.06 0.00 0.00 57.16 56.99 2wh4 n GLU 179 Cb 0.05 -1.24 -0.00 0.00 -0.06 0.00 0.00 31.44 30.19 2wh4 n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2wh4 n ASN 180 N -1.02 -3.05 -4.85 4.31 3.02 -0.37 -4.95 115.26 108.34 2wh4 n ASN 180 Ca 0.04 0.01 -0.32 0.00 -0.03 0.00 0.00 54.58 54.28 2wh4 n ASN 180 Cb 0.27 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.84 2wh4 n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wh4 s LEU 181 N -0.06 3.60 -0.21 3.41 1.02 -0.81 -2.10 118.68 123.54 2wh4 s LEU 181 Ca 0.00 1.47 -0.04 0.00 0.02 0.00 0.00 54.13 55.58 2wh4 s LEU 181 Cb 0.00 -4.42 0.11 0.00 0.02 0.00 0.00 46.19 41.90 2wh4 s LEU 181 CO 0.00 -0.60 0.35 -0.22 0.02 0.00 0.00 176.35 175.90 2wh4 s LEU 182 N -4.20 -0.52 -0.05 1.79 2.96 -1.16 -1.48 118.68 116.03 2wh4 s LEU 182 Ca 0.57 0.39 -0.15 0.00 -0.22 0.00 0.00 54.13 54.72 2wh4 s LEU 182 Cb -0.10 1.01 -0.05 0.00 0.50 0.00 0.00 46.19 47.54 2wh4 s LEU 182 CO 0.35 -0.28 0.39 -0.76 -1.32 0.00 0.00 176.35 174.73 2wh4 s LEU 183 N 2.51 4.41 0.24 -0.68 1.02 -0.74 -0.94 118.68 124.50 2wh4 s LEU 183 Ca 0.07 0.86 0.01 0.00 0.02 0.00 0.00 54.13 55.09 2wh4 s LEU 183 Cb -0.14 -2.55 -0.04 0.00 0.02 0.00 0.00 46.19 43.48 2wh4 s LEU 183 CO -0.14 0.25 0.19 -0.69 0.02 0.00 0.00 176.35 175.98 2wh4 s VAL 184 N -0.60 0.00 -0.41 -1.59 1.01 -0.16 -1.09 120.40 117.56 2wh4 s VAL 184 Ca 0.23 -1.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.20 2wh4 s VAL 184 Cb -0.16 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2wh4 s VAL 184 CO 0.11 0.00 1.60 0.29 0.00 0.00 0.00 175.10 177.10 2wh4 n LYS 185 N -0.38 1.07 0.00 2.72 4.76 -1.10 0.88 118.16 126.11 2wh4 n LYS 185 Ca 0.04 -0.89 0.00 0.00 -2.87 0.00 0.00 58.31 54.59 2wh4 n LYS 185 Cb 0.65 -2.13 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 2wh4 n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wh4 n GLY 186 N 3.65 0.25 3.52 0.72 0.00 -1.15 -4.78 105.19 107.39 2wh4 n GLY 186 Ca 0.23 0.47 -0.29 0.00 0.00 0.00 0.00 46.02 46.43 2wh4 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh4 n ALA 187 N 3.72 0.67 -3.73 4.61 0.00 -1.26 -4.39 120.51 120.12 2wh4 n ALA 187 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 53.44 52.56 2wh4 n ALA 187 Cb 0.00 -2.62 -0.14 0.00 0.00 0.00 0.00 19.45 16.69 2wh4 n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wh4 s VAL 188 N 7.31 -0.07 0.38 0.00 0.11 -1.26 -4.96 120.40 121.91 2wh4 s VAL 188 Ca 1.22 0.19 -0.11 0.00 -2.93 0.00 0.00 61.98 60.35 2wh4 s VAL 188 Cb -0.78 -0.30 -0.08 0.00 -1.53 0.00 0.00 36.38 33.70 2wh4 s VAL 188 CO 0.42 0.08 -0.59 -2.65 -3.33 0.00 0.00 175.10 169.02 2wh4 n PRO 189 N 4.33 0.00 -0.21 1.54 -0.02 -1.26 -4.90 135.00 134.48 2wh4 n PRO 189 Ca -0.24 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.27 2wh4 n PRO 189 Cb 0.52 -0.39 -0.01 0.00 -0.02 0.00 0.00 33.50 33.60 2wh4 n PRO 189 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wh4 n GLY 190 N 1.36 -0.39 4.01 -1.23 0.00 -1.14 -4.70 105.19 103.11 2wh4 n GLY 190 Ca -0.01 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 2wh4 n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wh4 s PRO 191 N -0.72 2.36 0.71 1.61 0.04 -1.26 -4.77 135.00 132.96 2wh4 s PRO 191 Ca 0.00 -1.31 -0.14 0.00 0.04 0.00 0.00 61.00 59.59 2wh4 s PRO 191 Cb 0.00 -2.59 0.03 0.00 0.04 0.00 0.00 34.50 31.97 2wh4 s PRO 191 CO 0.00 -0.79 1.12 -0.80 0.04 0.00 0.00 177.00 176.57 2wh4 s ASN 192 N -4.56 4.72 -1.14 6.66 0.02 -1.26 -2.77 114.94 116.60 2wh4 s ASN 192 Ca 0.60 2.04 0.00 0.00 -1.02 0.00 0.00 52.86 54.48 2wh4 s ASN 192 Cb -0.07 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.64 2wh4 s ASN 192 CO 0.38 -1.90 0.00 0.61 0.02 0.00 0.00 177.10 176.22 2wh4 n GLY 193 N -0.45 1.16 3.61 0.66 0.00 0.19 -4.97 105.19 105.38 2wh4 n GLY 193 Ca 0.11 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 2wh4 n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wh4 s GLY 194 N -2.64 1.70 0.16 -0.02 0.00 -1.11 -4.95 107.32 100.46 2wh4 s GLY 194 Ca 0.00 -1.66 -0.30 0.00 0.00 0.00 0.00 44.72 42.76 2wh4 s GLY 194 CO 0.00 -1.73 1.12 -2.27 0.00 0.00 0.00 173.10 170.23 2wh4 s LEU 195 N -3.54 4.46 0.34 0.66 2.96 -1.26 -1.50 118.68 120.80 2wh4 s LEU 195 Ca 0.30 2.09 0.04 0.00 -0.22 0.00 0.00 54.13 56.34 2wh4 s LEU 195 Cb -0.06 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 2wh4 s LEU 195 CO 0.19 -0.28 0.14 0.68 -1.32 0.00 0.00 176.35 175.76 2wh4 s VAL 196 N -0.02 0.52 -0.24 1.68 -7.23 -0.30 -4.40 120.40 110.40 2wh4 s VAL 196 Ca 0.51 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.58 2wh4 s VAL 196 Cb -0.30 -2.50 0.09 0.00 0.56 0.00 0.00 36.38 34.24 2wh4 s VAL 196 CO 0.34 0.00 0.55 -0.51 -0.31 0.00 0.00 175.10 175.17 2wh4 s ILE 197 N -3.43 -0.47 0.06 -0.62 2.07 -0.53 -1.69 121.20 116.59 2wh4 s ILE 197 Ca 0.32 0.07 0.02 0.00 -1.41 0.00 0.00 60.65 59.65 2wh4 s ILE 197 Cb 0.05 -0.83 -0.04 0.00 0.13 0.00 0.00 42.46 41.77 2wh4 s ILE 197 CO 0.17 0.03 0.09 -0.69 -1.91 0.00 0.00 174.94 172.63 2wh4 s VAL 198 N 2.22 4.67 0.30 4.00 1.01 -0.33 -0.94 120.40 131.34 2wh4 s VAL 198 Ca -0.06 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 2wh4 s VAL 198 Cb -0.10 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 2wh4 s VAL 198 CO -0.16 0.17 0.42 -0.13 0.00 0.00 0.00 175.10 175.40 2wh4 s ARG 199 N -2.27 1.72 0.70 2.72 0.52 -0.69 -2.87 118.95 118.77 2wh4 s ARG 199 Ca 0.29 -1.62 -0.13 0.00 -0.52 0.00 0.00 55.73 53.75 2wh4 s ARG 199 Cb -0.12 0.42 0.02 0.00 0.52 0.00 0.00 34.95 35.79 2wh4 s ARG 199 CO 0.21 -0.70 1.08 -1.83 0.02 0.00 0.00 175.30 174.09 2wh4 s GLU 200 N -3.46 2.72 0.00 3.54 1.03 -1.25 -1.55 118.70 119.73 2wh4 s GLU 200 Ca 0.30 1.18 0.00 0.00 0.03 0.00 0.00 54.97 56.48 2wh4 s GLU 200 Cb 0.01 -1.95 0.00 0.00 -0.80 0.00 0.00 34.13 31.38 2wh4 s GLU 200 CO 0.16 -1.28 0.00 -2.37 -1.33 0.00 0.00 175.26 170.44 2wh4 n THR 201 N -2.92 0.00 -3.18 1.83 5.66 -1.00 -4.16 114.28 110.51 2wh4 n THR 201 Ca 0.09 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.95 2wh4 n THR 201 Cb 0.53 -1.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.26 2wh4 n THR 201 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2wh4 s LYS 202 N 1.83 0.86 0.00 1.09 3.01 -1.26 -4.90 119.74 120.36 2wh4 s LYS 202 Ca 0.00 -1.21 0.00 0.00 -1.01 0.00 0.00 55.97 53.75 2wh4 s LYS 202 Cb 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 37.83 36.18 2wh4 s LYS 202 CO 0.00 -1.29 0.00 0.36 0.51 0.00 0.00 175.35 174.93 2wh4 n LYS 203 N 3.49 2.39 0.06 1.68 2.85 -1.26 -4.96 118.16 122.42 2wh4 n LYS 203 Ca 0.18 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 2wh4 n LYS 203 Cb 0.50 -0.81 0.00 0.00 -0.65 0.00 0.00 35.03 34.07 2wh4 n LYS 203 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wh4 n ALA 204 N -1.22 3.00 0.00 0.58 0.00 -1.26 -5.28 120.51 116.33 2wh4 n ALA 204 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wh4 n ALA 204 Cb 0.18 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2wh4 n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50