#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pw1 s ILE 2 N 0.00 5.18 0.01 0.55 1.01 -1.26 -4.15 121.20 122.54 2pw1 s ILE 2 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.76 2pw1 s ILE 2 Cb 0.00 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.15 2pw1 s ILE 2 CO 0.00 0.52 -0.04 0.42 0.00 0.00 0.00 174.94 175.83 2pw1 s THR 3 N -0.18 0.31 0.08 2.92 -4.23 -0.83 -4.98 115.64 108.72 2pw1 s THR 3 Ca 0.09 -0.56 0.04 0.00 -1.18 0.00 0.00 61.69 60.08 2pw1 s THR 3 Cb -0.12 -0.34 -0.03 0.00 1.34 0.00 0.00 72.50 73.36 2pw1 s THR 3 CO 0.01 -0.17 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.04 2pw1 s LEU 4 N -0.78 2.32 -0.15 4.79 1.02 -1.26 -1.91 118.68 122.71 2pw1 s LEU 4 Ca -0.05 -0.67 -0.08 0.00 0.02 0.00 0.00 54.13 53.34 2pw1 s LEU 4 Cb -0.05 -0.38 0.05 0.00 0.02 0.00 0.00 46.19 45.83 2pw1 s LEU 4 CO -0.00 -0.16 0.35 -0.75 0.02 0.00 0.00 176.35 175.81 2pw1 s LYS 5 N -2.08 0.33 0.13 1.70 2.20 -0.47 -4.16 119.74 117.40 2pw1 s LYS 5 Ca -0.01 0.68 -0.15 0.00 -0.36 0.00 0.00 55.97 56.13 2pw1 s LYS 5 Cb -0.07 -0.03 -0.07 0.00 -1.51 0.00 0.00 37.83 36.14 2pw1 s LYS 5 CO 0.01 -0.15 0.55 -1.21 -0.36 0.00 0.00 175.35 174.19 2pw1 s GLU 6 N 1.24 4.02 0.02 4.03 8.01 -1.26 -1.13 118.70 133.63 2pw1 s GLU 6 Ca -0.09 0.54 -0.07 0.00 0.01 0.00 0.00 54.97 55.37 2pw1 s GLU 6 Cb -0.08 -2.99 -0.00 0.00 -4.31 0.00 0.00 34.13 26.74 2pw1 s GLU 6 CO -0.10 0.51 0.12 -1.54 0.01 0.00 0.00 175.26 174.26 2pw1 s SER 7 N -1.59 0.10 0.00 -0.19 1.04 0.82 -4.81 113.70 109.08 2pw1 s SER 7 Ca 0.36 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2pw1 s SER 7 Cb -0.16 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2pw1 s SER 7 CO 0.19 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2pw1 n GLY 8 N 1.04 -0.95 3.75 7.32 0.00 -1.26 -0.70 105.19 114.39 2pw1 n GLY 8 Ca -0.21 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 2pw1 n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pw1 s PRO 9 N -2.00 4.54 0.42 1.61 0.04 -1.26 -4.95 135.00 133.39 2pw1 s PRO 9 Ca 0.00 1.14 0.20 0.00 0.04 0.00 0.00 61.00 62.38 2pw1 s PRO 9 Cb 0.00 -3.34 0.90 0.00 0.04 0.00 0.00 34.50 32.09 2pw1 s PRO 9 CO 0.00 0.33 1.85 -1.35 0.04 0.00 0.00 177.00 177.87 2pw1 h PRO 10 N 5.39 0.00 -4.86 0.56 0.11 -1.94 -3.44 132.00 127.81 2pw1 h PRO 10 Ca -0.44 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.22 2pw1 h PRO 10 Cb 1.21 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.02 2pw1 h PRO 10 CO 0.70 0.30 -0.80 -0.51 -0.21 0.00 0.00 178.00 177.48 2pw1 s LEU 11 N -7.36 1.91 -0.01 2.35 1.02 -1.26 0.29 118.68 115.61 2pw1 s LEU 11 Ca -0.01 -0.21 -0.06 0.00 0.02 0.00 0.00 54.13 53.86 2pw1 s LEU 11 Cb 0.12 -0.61 0.00 0.00 0.02 0.00 0.00 46.19 45.72 2pw1 s LEU 11 CO 0.67 0.11 0.13 -0.69 0.02 0.00 0.00 176.35 176.58 2pw1 s VAL 12 N -0.04 0.06 0.20 -1.59 1.01 -0.24 -4.95 120.40 114.85 2pw1 s VAL 12 Ca 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2pw1 s VAL 12 Cb -0.07 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 2pw1 s VAL 12 CO 0.00 -0.29 0.43 -0.54 0.00 0.00 0.00 175.10 174.69 2pw1 s LYS 13 N -1.02 3.59 0.38 2.72 1.02 -1.26 -1.95 119.74 123.22 2pw1 s LYS 13 Ca -0.11 -0.14 -0.27 0.00 0.02 0.00 0.00 55.97 55.46 2pw1 s LYS 13 Cb -0.06 -2.79 -0.11 0.00 -0.52 0.00 0.00 37.83 34.34 2pw1 s LYS 13 CO 0.01 0.38 1.36 -2.30 -0.92 0.00 0.00 175.35 173.89 2pw1 n PRO 14 N -0.41 2.29 0.00 -1.68 -0.02 -1.26 -1.56 135.00 132.36 2pw1 n PRO 14 Ca -0.03 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2pw1 n PRO 14 Cb 0.53 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2pw1 n PRO 14 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2pw1 n THR 15 N 0.23 0.00 -1.67 3.45 -2.24 -0.36 -4.91 114.28 108.79 2pw1 n THR 15 Ca 0.04 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.53 2pw1 n THR 15 Cb 0.38 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.71 2pw1 n THR 15 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pw1 s GLN 16 N -0.23 1.80 -0.16 -0.78 -0.21 -0.60 -3.79 119.66 115.69 2pw1 s GLN 16 Ca 0.00 0.37 -0.08 0.00 0.02 0.00 0.00 55.36 55.67 2pw1 s GLN 16 Cb 0.00 -1.91 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 2pw1 s GLN 16 CO 0.00 -1.76 0.10 0.99 -2.12 0.00 0.00 175.29 172.51 2pw1 s THR 17 N -3.32 5.17 -0.18 -0.19 2.01 -1.26 -2.28 115.64 115.59 2pw1 s THR 17 Ca 0.62 0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.68 2pw1 s THR 17 Cb -0.13 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 2pw1 s THR 17 CO 0.52 0.52 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.70 2pw1 s LEU 18 N -0.18 3.06 -0.19 4.42 2.96 0.22 -4.96 118.68 124.01 2pw1 s LEU 18 Ca 0.09 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.74 2pw1 s LEU 18 Cb -0.12 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.83 2pw1 s LEU 18 CO 0.01 0.09 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.09 2pw1 s THR 19 N 0.82 2.46 -0.02 3.68 2.01 -1.26 0.76 115.64 124.10 2pw1 s THR 19 Ca -0.01 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.24 2pw1 s THR 19 Cb -0.15 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 2pw1 s THR 19 CO 0.02 0.50 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.52 2pw1 s LEU 20 N 1.32 2.59 -0.03 4.42 1.43 0.84 -4.51 118.68 124.75 2pw1 s LEU 20 Ca 0.05 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.91 2pw1 s LEU 20 Cb -0.13 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 2pw1 s LEU 20 CO -0.10 0.31 -0.25 -0.89 0.23 0.00 0.00 176.35 175.66 2pw1 s THR 21 N -0.77 2.10 -0.24 5.49 2.01 0.13 -0.69 115.64 123.66 2pw1 s THR 21 Ca 0.12 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 61.06 2pw1 s THR 21 Cb -0.10 -1.74 0.05 0.00 0.01 0.00 0.00 72.50 70.72 2pw1 s THR 21 CO 0.02 0.58 -0.12 0.00 -0.69 0.00 0.00 174.62 174.41 2pw1 s SER 23 N 1.19 5.58 0.30 0.00 0.01 -0.29 -0.76 113.70 119.73 2pw1 s SER 23 Ca -0.04 0.01 0.06 0.00 1.31 0.00 0.00 55.95 57.28 2pw1 s SER 23 Cb -0.18 -1.98 -0.06 0.00 0.21 0.00 0.00 66.02 64.01 2pw1 s SER 23 CO -0.06 0.10 -0.02 0.72 0.41 0.00 0.00 173.24 174.38 2pw1 s PHE 24 N 0.84 2.01 0.08 2.43 -0.71 -0.82 -1.37 117.98 120.44 2pw1 s PHE 24 Ca 0.04 -0.77 -0.14 0.00 -1.04 0.00 0.00 56.93 55.02 2pw1 s PHE 24 Cb -0.13 -1.23 0.02 0.00 -1.21 0.00 0.00 43.02 40.47 2pw1 s PHE 24 CO 0.02 0.21 0.32 -1.54 -1.34 0.00 0.00 175.22 172.90 2pw1 s SER 25 N -3.48 -0.13 0.00 1.98 1.04 -0.81 -4.82 113.70 107.49 2pw1 s SER 25 Ca 0.32 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2pw1 s SER 25 Cb 0.06 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2pw1 s SER 25 CO 0.13 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.25 2pw1 n GLY 26 N 0.20 0.52 3.51 7.32 0.00 -1.26 -1.96 105.19 113.51 2pw1 n GLY 26 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 2pw1 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pw1 s PHE 27 N -2.20 -0.41 0.15 1.61 -0.71 -1.26 -4.80 117.98 110.35 2pw1 s PHE 27 Ca 0.00 0.13 0.11 0.00 -1.04 0.00 0.00 56.93 56.13 2pw1 s PHE 27 Cb 0.00 0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 42.32 2pw1 s PHE 27 CO 0.00 -0.92 -0.26 0.45 -1.34 0.00 0.00 175.22 173.15 2pw1 s SER 28 N -2.80 3.38 -0.58 1.98 0.15 -1.26 -5.00 113.70 109.57 2pw1 s SER 28 Ca 0.04 -0.78 -0.02 0.00 0.70 0.00 0.00 55.95 55.89 2pw1 s SER 28 Cb -0.02 -0.25 0.31 0.00 -1.71 0.00 0.00 66.02 64.35 2pw1 s SER 28 CO -0.08 0.16 2.15 0.18 1.20 0.00 0.00 173.24 176.85 2pw1 n LEU 29 N 0.69 7.16 0.00 3.45 4.77 -1.26 -2.49 117.00 129.33 2pw1 n LEU 29 Ca -0.16 -4.11 0.00 0.00 -0.03 0.00 0.00 56.01 51.71 2pw1 n LEU 29 Cb 0.54 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 2pw1 n LEU 29 CO 0.25 1.51 0.01 -1.54 -1.33 0.00 0.00 177.39 176.29 2pw1 n SER 30 N -0.23 0.03 -4.77 -1.43 3.41 -1.26 -4.46 113.62 104.91 2pw1 n SER 30 Ca 0.50 -0.25 -0.38 0.00 -0.26 0.00 0.00 58.87 58.48 2pw1 n SER 30 Cb 0.54 0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.67 2pw1 n SER 30 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2pw1 s ASP 31 N -0.22 6.88 0.03 4.04 1.01 -1.04 -4.93 116.67 122.46 2pw1 s ASP 31 Ca 0.00 2.22 -0.32 0.00 0.71 0.00 0.00 52.55 55.16 2pw1 s ASP 31 Cb 0.00 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.21 2pw1 s ASP 31 CO 0.00 -0.41 1.89 0.33 0.21 0.00 0.00 175.17 177.19 2pw1 n PHE 32 N 0.45 2.48 -0.69 4.23 7.35 -1.26 -2.99 117.46 127.04 2pw1 n PHE 32 Ca 0.02 -0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.54 2pw1 n PHE 32 Cb 0.47 -2.73 0.00 0.00 0.35 0.00 0.00 39.48 37.57 2pw1 n PHE 32 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2pw1 n GLY 33 N 4.36 0.98 3.77 7.13 0.00 -1.26 -4.34 105.19 115.82 2pw1 n GLY 33 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2pw1 n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pw1 s VAL 34 N -2.99 2.96 0.25 1.61 1.01 -1.16 -3.95 120.40 118.13 2pw1 s VAL 34 Ca 0.00 0.90 0.05 0.00 0.00 0.00 0.00 61.98 62.93 2pw1 s VAL 34 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 2pw1 s VAL 34 CO 0.00 0.16 -0.04 -0.83 0.00 0.00 0.00 175.10 174.39 2pw1 s GLY 35 N -0.81 1.65 -0.03 4.51 0.00 -0.77 -0.73 107.32 111.14 2pw1 s GLY 35 Ca 0.52 -1.81 -0.00 0.00 0.00 0.00 0.00 44.72 43.43 2pw1 s GLY 35 CO 0.45 -1.74 0.03 0.14 0.00 0.00 0.00 173.10 171.98 2pw1 s VAL 35 N -3.22 0.04 0.28 1.40 1.01 0.01 -1.53 120.40 118.39 2pw1 s VAL 35 Ca 0.28 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.55 2pw1 s VAL 35 Cb 0.04 -0.20 -0.06 0.00 0.00 0.00 0.00 36.38 36.17 2pw1 s VAL 35 CO 0.10 0.14 -0.05 -0.83 0.00 0.00 0.00 175.10 174.46 2pw1 s GLY 35 N 1.41 1.84 -0.07 4.51 0.00 0.13 -1.14 107.32 113.99 2pw1 s GLY 35 Ca -0.05 -1.91 0.04 0.00 0.00 0.00 0.00 44.72 42.81 2pw1 s GLY 35 CO -0.03 -1.84 -0.20 -0.98 0.00 0.00 0.00 173.10 170.05 2pw1 s TRP 36 N -3.02 2.57 -0.01 1.90 0.52 0.10 -0.59 118.94 120.41 2pw1 s TRP 36 Ca 0.30 -0.56 0.01 0.00 0.02 0.00 0.00 56.10 55.86 2pw1 s TRP 36 Cb 0.04 -1.65 0.00 0.00 -1.15 0.00 0.00 33.47 30.71 2pw1 s TRP 36 CO 0.12 -0.11 -0.02 0.42 0.02 0.00 0.00 176.95 177.37 2pw1 s ILE 37 N -0.22 0.22 0.37 2.03 1.09 -0.19 -1.48 121.20 123.02 2pw1 s ILE 37 Ca -0.01 -0.09 0.08 0.00 -1.10 0.00 0.00 60.65 59.54 2pw1 s ILE 37 Cb -0.13 -0.22 -0.07 0.00 -1.06 0.00 0.00 42.46 40.98 2pw1 s ILE 37 CO 0.03 0.08 -0.01 0.00 -0.10 0.00 0.00 174.94 174.95 2pw1 s ARG 38 N 0.13 1.97 -0.24 2.79 1.70 -0.31 0.33 118.95 125.31 2pw1 s ARG 38 Ca -0.01 -1.94 -0.02 0.00 -0.47 0.00 0.00 55.73 53.28 2pw1 s ARG 38 Cb -0.03 -1.76 0.12 0.00 -0.57 0.00 0.00 34.95 32.70 2pw1 s ARG 38 CO -0.00 0.05 0.28 -1.14 -1.08 0.00 0.00 175.30 173.41 2pw1 s GLN 39 N -3.70 0.27 0.60 3.89 0.74 0.24 -1.65 119.66 120.06 2pw1 s GLN 39 Ca 0.35 0.14 -0.18 0.00 0.05 0.00 0.00 55.36 55.72 2pw1 s GLN 39 Cb 0.05 -0.85 -0.03 0.00 1.10 0.00 0.00 33.01 33.28 2pw1 s GLN 39 CO 0.18 -0.80 1.18 -2.14 -0.55 0.00 0.00 175.29 173.17 2pw1 s PRO 40 N 2.39 2.97 -0.07 1.67 0.02 -1.26 -0.45 135.00 140.26 2pw1 s PRO 40 Ca 0.09 1.73 -0.35 0.00 0.02 0.00 0.00 61.00 62.49 2pw1 s PRO 40 Cb -0.15 -1.94 -0.13 0.00 0.02 0.00 0.00 34.50 32.30 2pw1 s PRO 40 CO -0.21 -1.19 1.77 -2.30 -0.33 0.00 0.00 177.00 174.75 2pw1 n PRO 41 N -1.71 1.92 -0.98 5.54 -0.02 -1.26 -0.65 135.00 137.85 2pw1 n PRO 41 Ca 0.13 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2pw1 n PRO 41 Cb 0.50 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2pw1 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pw1 n GLY 42 N 4.08 0.71 2.48 -1.23 0.00 -1.26 -5.01 105.19 104.97 2pw1 n GLY 42 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 2pw1 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pw1 n LYS 43 N -2.31 1.05 -2.32 1.61 5.02 0.18 -5.13 118.16 116.27 2pw1 n LYS 43 Ca 0.00 -2.37 -0.26 0.00 -2.02 0.00 0.00 58.31 53.66 2pw1 n LYS 43 Cb 0.02 0.43 0.04 0.00 -0.02 0.00 0.00 35.03 35.51 2pw1 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pw1 s ALA 44 N -2.55 3.25 0.27 7.82 0.00 -1.26 -4.69 121.76 124.61 2pw1 s ALA 44 Ca 0.11 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 2pw1 s ALA 44 Cb -0.01 -2.60 -0.09 0.00 0.00 0.00 0.00 23.12 20.41 2pw1 s ALA 44 CO 0.07 -0.98 1.23 -0.51 0.00 0.00 0.00 175.76 175.57 2pw1 s LEU 45 N -5.09 4.47 -0.10 0.00 1.43 -1.26 -4.39 118.68 113.74 2pw1 s LEU 45 Ca 0.56 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 56.11 2pw1 s LEU 45 Cb -0.11 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.51 2pw1 s LEU 45 CO 0.45 -0.39 -0.09 -0.70 0.23 0.00 0.00 176.35 175.85 2pw1 s GLU 46 N -1.15 1.62 0.16 1.70 2.12 -0.66 -5.00 118.70 117.50 2pw1 s GLU 46 Ca 0.50 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 55.21 2pw1 s GLU 46 Cb -0.36 -1.57 -0.07 0.00 0.26 0.00 0.00 34.13 32.39 2pw1 s GLU 46 CO 0.44 -0.19 1.13 -0.46 -0.54 0.00 0.00 175.26 175.64 2pw1 s TRP 47 N 1.41 3.54 -0.10 5.30 -0.00 -1.26 -1.17 118.94 126.66 2pw1 s TRP 47 Ca -0.00 1.53 -0.05 0.00 -0.00 0.00 0.00 56.10 57.58 2pw1 s TRP 47 Cb -0.13 -3.32 -0.04 0.00 -0.00 0.00 0.00 33.47 29.97 2pw1 s TRP 47 CO -0.05 -0.79 -0.13 1.28 -0.00 0.00 0.00 176.95 177.25 2pw1 n LEU 48 N 2.62 0.74 -3.68 5.86 4.77 -0.55 -4.71 117.00 122.05 2pw1 n LEU 48 Ca 0.04 0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 56.13 2pw1 n LEU 48 Cb 0.46 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2pw1 n LEU 48 CO 0.54 0.22 0.90 0.00 -1.33 0.00 0.00 177.39 177.72 2pw1 s ALA 49 N -2.19 -1.96 -0.08 -1.18 0.00 -1.15 -1.05 121.76 114.15 2pw1 s ALA 49 Ca -0.14 0.48 -0.14 0.00 0.00 0.00 0.00 51.96 52.15 2pw1 s ALA 49 Cb 0.06 0.47 0.03 0.00 0.00 0.00 0.00 23.12 23.68 2pw1 s ALA 49 CO 0.18 -1.02 0.36 -1.50 0.00 0.00 0.00 175.76 173.77 2pw1 s ILE 50 N -2.83 0.03 -0.02 0.00 2.07 -0.61 -0.72 121.20 119.12 2pw1 s ILE 50 Ca 0.13 -0.21 0.02 0.00 -1.41 0.00 0.00 60.65 59.19 2pw1 s ILE 50 Cb 0.02 -0.58 -0.00 0.00 0.13 0.00 0.00 42.46 42.03 2pw1 s ILE 50 CO -0.01 -0.11 -0.08 -0.51 -1.91 0.00 0.00 174.94 172.31 2pw1 s ILE 51 N -0.52 0.70 0.35 2.00 2.07 -0.29 -1.80 121.20 123.70 2pw1 s ILE 51 Ca -0.06 -0.35 0.08 0.00 -1.41 0.00 0.00 60.65 58.91 2pw1 s ILE 51 Cb -0.04 -0.61 -0.03 0.00 0.13 0.00 0.00 42.46 41.91 2pw1 s ILE 51 CO 0.03 0.21 0.25 -0.31 -1.91 0.00 0.00 174.94 173.21 2pw1 s TYR 52 N 0.01 2.80 0.62 3.50 2.02 -0.78 -0.81 117.35 124.71 2pw1 s TYR 52 Ca 0.00 -0.37 0.32 0.00 -0.37 0.00 0.00 57.07 56.65 2pw1 s TYR 52 Cb -0.06 -1.81 1.82 0.00 -0.40 0.00 0.00 41.96 41.51 2pw1 s TYR 52 CO -0.00 0.19 2.14 0.77 -1.57 0.00 0.00 175.55 177.08 2pw1 h SER 53 N 1.32 0.00 -0.48 2.29 0.02 -1.15 0.12 113.55 115.67 2pw1 h SER 53 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2pw1 h SER 53 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2pw1 h SER 53 CO 0.60 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.39 2pw1 n ASP 54 N -3.54 2.81 -0.72 3.07 5.75 -1.26 -4.69 116.55 117.97 2pw1 n ASP 54 Ca -0.00 -2.08 -0.09 0.00 -0.01 0.00 0.00 54.79 52.61 2pw1 n ASP 54 Cb 0.26 -0.36 -0.04 0.00 -1.03 0.00 0.00 41.12 39.94 2pw1 n ASP 54 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2pw1 n ASP 55 N 0.87 -4.25 -4.75 -1.12 2.03 0.40 -5.00 116.55 104.73 2pw1 n ASP 55 Ca 0.17 0.23 -0.41 0.00 0.52 0.00 0.00 54.79 55.30 2pw1 n ASP 55 Cb 0.47 -2.57 -0.04 0.00 -0.72 0.00 0.00 41.12 38.26 2pw1 n ASP 55 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2pw1 s ASP 56 N -2.82 7.24 0.01 1.67 2.15 -1.25 -4.84 116.67 118.82 2pw1 s ASP 56 Ca 0.00 2.19 0.04 0.00 0.43 0.00 0.00 52.55 55.21 2pw1 s ASP 56 Cb 0.00 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 39.99 2pw1 s ASP 56 CO 0.00 -0.21 -0.13 -0.54 -0.17 0.00 0.00 175.17 174.12 2pw1 s LYS 57 N -0.82 0.95 0.00 4.34 1.02 -1.26 -1.86 119.74 122.12 2pw1 s LYS 57 Ca 0.48 -0.57 0.01 0.00 0.02 0.00 0.00 55.97 55.90 2pw1 s LYS 57 Cb -0.31 -0.93 -0.00 0.00 -0.52 0.00 0.00 37.83 36.06 2pw1 s LYS 57 CO 0.38 0.24 -0.03 1.03 -0.92 0.00 0.00 175.35 176.05 2pw1 s ARG 58 N -0.66 0.24 0.21 1.68 1.81 -0.75 -5.02 118.95 116.46 2pw1 s ARG 58 Ca 0.03 -0.17 0.06 0.00 -1.72 0.00 0.00 55.73 53.92 2pw1 s ARG 58 Cb -0.06 -0.19 -0.05 0.00 -0.45 0.00 0.00 34.95 34.20 2pw1 s ARG 58 CO 0.00 0.05 -0.08 0.71 -0.68 0.00 0.00 175.30 175.29 2pw1 s TYR 59 N -0.25 1.61 0.02 -0.53 2.02 -1.26 -1.57 117.35 117.40 2pw1 s TYR 59 Ca -0.01 -0.72 -0.30 0.00 -0.37 0.00 0.00 57.07 55.66 2pw1 s TYR 59 Cb -0.02 -0.84 -0.06 0.00 -0.40 0.00 0.00 41.96 40.63 2pw1 s TYR 59 CO -0.00 0.18 1.44 0.45 -1.57 0.00 0.00 175.55 176.06 2pw1 s SER 60 N -3.30 6.81 0.60 2.29 0.15 -0.21 -4.88 113.70 115.15 2pw1 s SER 60 Ca 0.24 2.20 0.30 0.00 0.70 0.00 0.00 55.95 59.39 2pw1 s SER 60 Cb 0.02 -2.56 1.81 0.00 -1.71 0.00 0.00 66.02 63.58 2pw1 s SER 60 CO 0.07 -0.74 2.21 -0.65 1.20 0.00 0.00 173.24 175.33 2pw1 h PRO 61 N 7.80 0.00 -0.00 5.44 0.11 -1.95 0.26 132.00 143.67 2pw1 h PRO 61 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2pw1 h PRO 61 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2pw1 h PRO 61 CO 0.90 0.00 -0.55 -1.13 -0.21 0.00 0.00 178.00 177.02 2pw1 n SER 62 N -3.76 0.64 0.00 -2.05 3.41 -1.26 -4.08 113.62 106.52 2pw1 n SER 62 Ca -0.02 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 2pw1 n SER 62 Cb 0.16 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2pw1 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pw1 n LEU 63 N -1.40 0.60 -0.33 1.04 4.77 -0.72 -4.87 117.00 116.09 2pw1 n LEU 63 Ca 0.06 -0.60 0.20 0.00 -0.03 0.00 0.00 56.01 55.64 2pw1 n LEU 63 Cb 0.34 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.88 2pw1 n LEU 63 CO 0.35 0.15 1.20 -1.13 -1.33 0.00 0.00 177.39 176.63 2pw1 h ASN 64 N 0.00 0.55 0.69 -1.43 -1.24 -0.65 -1.29 115.58 112.20 2pw1 h ASN 64 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.11 2pw1 h ASN 64 Cb 0.25 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.32 2pw1 h ASN 64 CO 0.00 0.10 0.00 0.35 -1.29 0.00 0.00 177.43 176.59 2pw1 n THR 65 N -4.73 0.24 0.31 -3.57 -2.24 -1.26 -3.25 114.28 99.78 2pw1 n THR 65 Ca 0.26 0.06 0.04 0.00 -2.27 0.00 0.00 64.05 62.13 2pw1 n THR 65 Cb 0.81 -0.63 0.01 0.00 -2.10 0.00 0.00 70.33 68.42 2pw1 n THR 65 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2pw1 n ARG 66 N -1.40 1.68 -4.53 -0.78 1.74 -0.51 -4.94 116.66 107.92 2pw1 n ARG 66 Ca 0.09 -0.62 -0.32 0.00 -0.77 0.00 0.00 57.85 56.22 2pw1 n ARG 66 Cb 0.25 -1.03 -0.11 0.00 -1.02 0.00 0.00 32.46 30.55 2pw1 n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pw1 s LEU 67 N -1.20 3.08 -0.03 0.55 1.43 -1.04 -0.75 118.68 120.72 2pw1 s LEU 67 Ca 0.07 -0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2pw1 s LEU 67 Cb 0.06 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.55 2pw1 s LEU 67 CO 0.15 0.29 0.01 -0.89 0.23 0.00 0.00 176.35 176.15 2pw1 s THR 68 N -0.95 0.10 -0.01 5.49 2.01 -0.76 -4.94 115.64 116.58 2pw1 s THR 68 Ca 0.16 0.16 0.08 0.00 0.31 0.00 0.00 61.69 62.40 2pw1 s THR 68 Cb -0.11 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.15 2pw1 s THR 68 CO 0.06 0.14 -0.26 -0.51 -0.69 0.00 0.00 174.62 173.37 2pw1 s ILE 69 N 1.24 2.03 0.08 1.82 2.07 -1.26 -1.16 121.20 126.02 2pw1 s ILE 69 Ca -0.07 -1.14 -0.14 0.00 -1.41 0.00 0.00 60.65 57.90 2pw1 s ILE 69 Cb -0.13 -1.69 0.02 0.00 0.13 0.00 0.00 42.46 40.79 2pw1 s ILE 69 CO -0.02 0.54 0.32 0.28 -1.91 0.00 0.00 174.94 174.14 2pw1 s THR 70 N -0.63 0.09 0.05 4.00 -1.32 -0.08 -4.99 115.64 112.77 2pw1 s THR 70 Ca 0.10 -0.74 0.04 0.00 -1.21 0.00 0.00 61.69 59.88 2pw1 s THR 70 Cb -0.10 -1.11 -0.03 0.00 -1.51 0.00 0.00 72.50 69.76 2pw1 s THR 70 CO -0.01 -0.41 -0.12 -1.59 -2.21 0.00 0.00 174.62 170.29 2pw1 s LYS 71 N -3.27 0.71 -0.38 7.08 -2.85 -1.26 0.63 119.74 120.40 2pw1 s LYS 71 Ca -0.00 -0.83 0.04 0.00 -1.00 0.00 0.00 55.97 54.17 2pw1 s LYS 71 Cb 0.01 -0.63 0.11 0.00 -2.06 0.00 0.00 37.83 35.26 2pw1 s LYS 71 CO -0.08 0.14 0.10 0.34 0.10 0.00 0.00 175.35 175.95 2pw1 s ASP 72 N -1.55 4.61 0.35 0.03 -1.08 0.63 -4.98 116.67 114.69 2pw1 s ASP 72 Ca -0.04 -2.34 0.03 0.00 -0.52 0.00 0.00 52.55 49.69 2pw1 s ASP 72 Cb -0.09 -1.58 0.66 0.00 -1.46 0.00 0.00 42.92 40.45 2pw1 s ASP 72 CO 0.01 -0.35 1.98 0.74 0.52 0.00 0.00 175.17 178.08 2pw1 h THR 73 N 6.33 1.10 -0.08 1.71 2.02 -1.90 -1.11 112.91 120.98 2pw1 h THR 73 Ca -0.05 -0.29 -0.18 0.00 0.77 0.00 0.00 66.41 66.66 2pw1 h THR 73 Cb 0.99 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2pw1 h THR 73 CO 0.55 0.15 -0.73 0.28 0.37 0.00 0.00 175.52 176.15 2pw1 h SER 74 N 0.84 0.48 -0.63 4.18 0.02 -1.95 -3.16 113.55 113.33 2pw1 h SER 74 Ca 0.28 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2pw1 h SER 74 Cb 0.07 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2pw1 h SER 74 CO -0.08 1.05 0.00 2.29 -1.14 0.00 0.00 176.83 178.95 2pw1 n LYS 75 N -3.84 4.31 -3.78 3.45 2.85 -0.87 -4.96 118.16 115.33 2pw1 n LYS 75 Ca -0.04 -3.03 -0.32 0.00 -1.05 0.00 0.00 58.31 53.87 2pw1 n LYS 75 Cb 0.71 -2.08 0.02 0.00 -0.65 0.00 0.00 35.03 33.03 2pw1 n LYS 75 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2pw1 n ASN 76 N 0.92 -5.05 -3.84 -5.58 4.13 -0.47 -4.83 115.26 100.54 2pw1 n ASN 76 Ca 0.27 -1.01 -0.11 0.00 1.68 0.00 0.00 54.58 55.41 2pw1 n ASN 76 Cb 1.04 -2.52 -0.09 0.00 -1.54 0.00 0.00 39.78 36.67 2pw1 n ASN 76 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2pw1 s GLN 77 N -5.88 0.60 -0.04 3.52 -0.21 -0.98 -1.94 119.66 114.73 2pw1 s GLN 77 Ca 0.30 -0.43 0.02 0.00 0.02 0.00 0.00 55.36 55.27 2pw1 s GLN 77 Cb -0.14 0.25 0.01 0.00 1.00 0.00 0.00 33.01 34.14 2pw1 s GLN 77 CO 0.90 -0.16 -0.08 0.08 -2.12 0.00 0.00 175.29 173.91 2pw1 s VAL 78 N -1.79 0.73 -0.03 1.09 1.01 0.06 -0.27 120.40 121.20 2pw1 s VAL 78 Ca -0.11 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.64 2pw1 s VAL 78 Cb -0.05 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 2pw1 s VAL 78 CO 0.00 0.25 -0.23 -0.69 0.00 0.00 0.00 175.10 174.42 2pw1 s VAL 79 N 0.45 2.25 -0.12 2.92 1.01 0.20 0.15 120.40 127.27 2pw1 s VAL 79 Ca -0.07 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.92 2pw1 s VAL 79 Cb -0.11 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.47 2pw1 s VAL 79 CO 0.01 0.58 -0.23 -0.22 0.00 0.00 0.00 175.10 175.24 2pw1 s LEU 80 N -0.53 2.08 -0.15 3.92 2.96 0.13 -0.90 118.68 126.19 2pw1 s LEU 80 Ca 0.07 -0.58 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 2pw1 s LEU 80 Cb -0.11 -1.41 -0.00 0.00 0.50 0.00 0.00 46.19 45.16 2pw1 s LEU 80 CO 0.00 0.11 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.31 2pw1 s VAL 81 N 0.62 2.74 -0.26 1.68 1.01 -0.31 -0.11 120.40 125.77 2pw1 s VAL 81 Ca -0.12 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2pw1 s VAL 81 Cb -0.17 -2.16 0.04 0.00 0.00 0.00 0.00 36.38 34.10 2pw1 s VAL 81 CO 0.03 0.51 -0.08 -0.32 0.00 0.00 0.00 175.10 175.24 2pw1 s MET 82 N 0.79 2.52 0.51 2.72 1.75 0.23 -1.83 119.30 126.00 2pw1 s MET 82 Ca -0.05 -1.18 -0.08 0.00 -1.25 0.00 0.00 55.69 53.13 2pw1 s MET 82 Cb -0.15 -2.96 -0.04 0.00 2.84 0.00 0.00 34.83 34.52 2pw1 s MET 82 CO 0.00 -0.50 0.87 0.95 -0.65 0.00 0.00 175.02 175.69 2pw1 s THR 82 N 1.22 4.81 -0.29 10.11 -4.23 0.07 -0.61 115.64 126.72 2pw1 s THR 82 Ca -0.04 0.52 -0.22 0.00 -1.18 0.00 0.00 61.69 60.77 2pw1 s THR 82 Cb -0.18 -3.84 0.03 0.00 1.34 0.00 0.00 72.50 69.85 2pw1 s THR 82 CO -0.05 -0.88 0.40 -2.11 -0.54 0.00 0.00 174.62 171.44 2pw1 n ARG 82 N -2.22 -1.14 -2.14 3.99 1.85 -1.06 -4.86 116.66 111.08 2pw1 n ARG 82 Ca 0.03 0.82 -0.29 0.00 -1.00 0.00 0.00 57.85 57.40 2pw1 n ARG 82 Cb 0.55 -1.21 0.02 0.00 -1.05 0.00 0.00 32.46 30.76 2pw1 n ARG 82 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2pw1 s VAL 82 N -1.03 4.31 0.34 8.89 -7.23 -0.96 -4.69 120.40 120.03 2pw1 s VAL 82 Ca 0.21 0.49 0.04 0.00 -1.81 0.00 0.00 61.98 60.91 2pw1 s VAL 82 Cb -0.02 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 2pw1 s VAL 82 CO 0.53 -0.85 0.15 -0.94 -0.31 0.00 0.00 175.10 173.67 2pw1 s SER 83 N -4.22 2.02 0.63 4.85 1.04 -1.26 -1.22 113.70 115.54 2pw1 s SER 83 Ca 0.54 -1.59 0.39 0.00 0.48 0.00 0.00 55.95 55.77 2pw1 s SER 83 Cb -0.11 0.39 2.17 0.00 0.10 0.00 0.00 66.02 68.57 2pw1 s SER 83 CO 0.50 -0.88 2.32 -0.65 0.98 0.00 0.00 173.24 175.51 2pw1 h PRO 84 N 2.07 0.00 0.00 4.02 0.11 -1.98 -1.12 132.00 135.10 2pw1 h PRO 84 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2pw1 h PRO 84 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2pw1 h PRO 84 CO 0.54 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.67 2pw1 n VAL 85 N -3.39 0.20 1.45 3.15 0.24 -1.26 -2.15 118.33 116.57 2pw1 n VAL 85 Ca -0.03 0.05 0.14 0.00 -2.04 0.00 0.00 64.34 62.46 2pw1 n VAL 85 Cb 0.08 -0.61 0.57 0.00 -1.47 0.00 0.00 33.84 32.41 2pw1 n VAL 85 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2pw1 n ASP 86 N -1.39 0.79 -4.68 -1.34 8.00 -0.42 -4.83 116.55 112.68 2pw1 n ASP 86 Ca 0.09 -0.91 -0.42 0.00 0.71 0.00 0.00 54.79 54.27 2pw1 n ASP 86 Cb 0.25 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 2pw1 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2pw1 s THR 87 N -2.32 3.13 0.00 -3.53 2.01 -0.91 -4.90 115.64 109.11 2pw1 s THR 87 Ca 0.32 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.79 2pw1 s THR 87 Cb 0.20 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.41 2pw1 s THR 87 CO 0.44 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.36 2pw1 n ALA 88 N 6.08 0.00 -2.70 7.40 0.00 -0.80 -4.51 120.51 125.98 2pw1 n ALA 88 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.24 2pw1 n ALA 88 Cb 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.79 2pw1 n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2pw1 s THR 89 N -2.00 5.27 -0.19 0.00 2.01 0.40 -1.28 115.64 119.85 2pw1 s THR 89 Ca 0.00 0.55 -0.04 0.00 0.31 0.00 0.00 61.69 62.52 2pw1 s THR 89 Cb 0.00 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 2pw1 s THR 89 CO 0.00 0.50 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.07 2pw1 s TYR 90 N -0.32 2.97 0.06 4.92 2.02 0.13 0.79 117.35 127.92 2pw1 s TYR 90 Ca 0.18 -0.65 0.06 0.00 -0.37 0.00 0.00 57.07 56.29 2pw1 s TYR 90 Cb -0.14 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.35 2pw1 s TYR 90 CO 0.07 -0.33 -0.10 -0.06 -1.57 0.00 0.00 175.55 173.55 2pw1 s PHE 91 N 1.00 2.75 0.06 2.71 0.08 0.15 -0.89 117.98 123.84 2pw1 s PHE 91 Ca 0.00 -0.14 0.08 0.00 0.12 0.00 0.00 56.93 56.99 2pw1 s PHE 91 Cb -0.15 -1.50 -0.03 0.00 -0.57 0.00 0.00 43.02 40.77 2pw1 s PHE 91 CO 0.01 0.37 -0.18 0.00 -0.10 0.00 0.00 175.22 175.32 2pw1 s ALA 93 N -0.98 -0.29 0.06 0.00 0.00 0.24 -1.22 121.76 119.56 2pw1 s ALA 93 Ca 0.15 -0.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.67 2pw1 s ALA 93 Cb -0.10 0.21 -0.06 0.00 0.00 0.00 0.00 23.12 23.16 2pw1 s ALA 93 CO 0.07 -0.29 0.49 -1.58 0.00 0.00 0.00 175.76 174.44 2pw1 s HIS 94 N -2.13 3.73 -0.12 0.00 5.65 0.30 -0.70 115.29 122.03 2pw1 s HIS 94 Ca -0.09 1.11 0.02 0.00 0.25 0.00 0.00 55.06 56.34 2pw1 s HIS 94 Cb -0.03 -2.38 0.02 0.00 -1.18 0.00 0.00 32.58 29.00 2pw1 s HIS 94 CO -0.02 0.58 -0.16 0.50 -0.65 0.00 0.00 174.74 174.99 2pw1 s ARG 95 N -1.28 2.36 0.52 2.88 3.52 -0.58 -2.08 118.95 124.30 2pw1 s ARG 95 Ca 0.29 -0.61 -0.20 0.00 -0.13 0.00 0.00 55.73 55.08 2pw1 s ARG 95 Cb -0.17 -2.02 -0.06 0.00 -1.56 0.00 0.00 34.95 31.13 2pw1 s ARG 95 CO 0.17 -0.09 1.13 1.03 -0.81 0.00 0.00 175.30 176.73 2pw1 s ARG 96 N 1.06 3.46 0.71 5.12 0.52 -1.26 -1.85 118.95 126.72 2pw1 s ARG 96 Ca -0.04 1.62 -0.00 0.00 -0.52 0.00 0.00 55.73 56.79 2pw1 s ARG 96 Cb -0.15 -2.08 0.13 0.00 0.52 0.00 0.00 34.95 33.37 2pw1 s ARG 96 CO -0.04 -0.76 0.98 0.20 0.02 0.00 0.00 175.30 175.70 2pw1 s GLY 97 N -1.71 1.76 0.65 -3.53 0.00 -1.25 -4.17 107.32 99.06 2pw1 s GLY 97 Ca 0.71 -1.77 -0.16 0.00 0.00 0.00 0.00 44.72 43.50 2pw1 s GLY 97 CO 0.28 -1.20 1.17 -4.14 0.00 0.00 0.00 173.10 169.20 2pw1 s PRO 98 N -5.11 2.71 0.25 2.90 0.02 -1.26 -4.58 135.00 129.93 2pw1 s PRO 98 Ca 0.66 1.64 -0.30 0.00 0.02 0.00 0.00 61.00 63.02 2pw1 s PRO 98 Cb -0.05 -1.92 -0.09 0.00 0.02 0.00 0.00 34.50 32.46 2pw1 s PRO 98 CO 0.44 -1.37 1.08 0.99 -0.33 0.00 0.00 177.00 177.82 2pw1 s THR 99 N -1.98 3.63 0.09 0.99 2.01 -0.34 -4.95 115.64 115.09 2pw1 s THR 99 Ca 0.72 1.58 0.08 0.00 0.31 0.00 0.00 61.69 64.39 2pw1 s THR 99 Cb -0.26 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 2pw1 s THR 99 CO 0.39 0.35 -0.21 0.42 -0.69 0.00 0.00 174.62 174.88 2pw1 s THR 100 N -0.95 1.73 -0.15 -0.82 -4.23 -1.26 -0.65 115.64 109.32 2pw1 s THR 100 Ca 0.45 -1.46 -0.00 0.00 -1.18 0.00 0.00 61.69 59.50 2pw1 s THR 100 Cb -0.31 -1.55 0.03 0.00 1.34 0.00 0.00 72.50 72.01 2pw1 s THR 100 CO 0.39 0.02 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.20 2pw1 s LEU 100 N -1.71 1.46 -0.98 4.79 2.96 0.66 -4.74 118.68 121.13 2pw1 s LEU 100 Ca 0.07 -0.52 -0.13 0.00 -0.22 0.00 0.00 54.13 53.34 2pw1 s LEU 100 Cb -0.10 -0.90 0.00 0.00 0.50 0.00 0.00 46.19 45.69 2pw1 s LEU 100 CO 0.04 -0.15 0.70 0.49 -1.32 0.00 0.00 176.35 176.11 2pw1 n PHE 100 N 4.89 -2.07 -0.53 5.38 3.72 -1.26 0.11 117.46 127.70 2pw1 n PHE 100 Ca -0.12 0.64 0.00 0.00 -0.05 0.00 0.00 57.45 57.92 2pw1 n PHE 100 Cb 0.49 -3.26 0.00 0.00 -0.94 0.00 0.00 39.48 35.77 2pw1 n PHE 100 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pw1 n GLY 100 N -1.74 0.00 3.54 1.37 0.00 -1.26 -4.90 105.19 102.20 2pw1 n GLY 100 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2pw1 n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pw1 s VAL 100 N -0.54 3.87 -0.29 1.61 1.01 0.29 -5.02 120.40 121.33 2pw1 s VAL 100 Ca 0.00 -0.39 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 2pw1 s VAL 100 Cb 0.00 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2pw1 s VAL 100 CO 0.00 0.54 2.14 -2.84 0.00 0.00 0.00 175.10 174.94 2pw1 s PRO 100 N -0.16 3.01 -0.01 2.72 0.02 -1.26 0.24 135.00 139.57 2pw1 s PRO 100 Ca 0.03 1.76 0.06 0.00 0.02 0.00 0.00 61.00 62.87 2pw1 s PRO 100 Cb -0.13 -4.36 -0.09 0.00 0.02 0.00 0.00 34.50 29.94 2pw1 s PRO 100 CO 0.03 -2.24 0.14 0.44 -0.33 0.00 0.00 177.00 175.04 2pw1 n ILE 100 N 7.70 0.00 -3.72 2.83 -5.35 0.18 -4.93 119.36 116.06 2pw1 n ILE 100 Ca 0.29 -0.16 -0.13 0.00 -0.27 0.00 0.00 62.75 62.47 2pw1 n ILE 100 Cb 0.47 0.45 -0.14 0.00 -1.74 0.00 0.00 39.64 38.68 2pw1 n ILE 100 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2pw1 s ALA 100 N -2.29 -0.41 -1.71 -1.28 0.00 -1.20 -5.00 121.76 109.86 2pw1 s ALA 100 Ca -0.02 0.83 0.15 0.00 0.00 0.00 0.00 51.96 52.92 2pw1 s ALA 100 Cb 0.04 -0.62 0.17 0.00 0.00 0.00 0.00 23.12 22.71 2pw1 s ALA 100 CO 0.24 -0.26 1.04 2.89 0.00 0.00 0.00 175.76 179.67 2pw1 n ARG 100 N 4.45 1.39 -0.22 0.00 1.85 -1.26 -1.19 116.66 121.68 2pw1 n ARG 100 Ca -0.22 -1.54 -0.00 0.00 -1.00 0.00 0.00 57.85 55.09 2pw1 n ARG 100 Cb 0.52 -1.30 0.23 0.00 -1.05 0.00 0.00 32.46 30.86 2pw1 n ARG 100 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2pw1 h GLY 100 N 2.84 1.06 2.00 2.89 0.00 -1.96 -2.99 103.07 106.91 2pw1 h GLY 100 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2pw1 h GLY 100 CO 0.00 0.41 0.00 -1.05 0.00 0.00 0.00 176.54 175.90 2pw1 n PRO 100 N -4.40 0.04 0.00 4.80 -0.02 -1.26 -2.26 135.00 131.90 2pw1 n PRO 100 Ca 0.08 0.34 0.15 0.00 -2.02 0.00 0.00 63.50 62.05 2pw1 n PRO 100 Cb 0.05 -1.59 0.71 0.00 -0.02 0.00 0.00 33.50 32.64 2pw1 n PRO 100 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2pw1 n VAL 100 N -1.68 0.00 -1.96 -1.45 0.24 -1.13 -4.31 118.33 108.04 2pw1 n VAL 100 Ca 0.02 -0.10 -0.37 0.00 -2.04 0.00 0.00 64.34 61.85 2pw1 n VAL 100 Cb 0.15 -0.04 -0.01 0.00 -1.47 0.00 0.00 33.84 32.47 2pw1 n VAL 100 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2pw1 n ASN 100 N -0.59 7.54 0.00 -1.34 3.02 -0.96 -4.83 115.26 118.11 2pw1 n ASN 100 Ca 0.20 -3.27 0.00 0.00 -0.03 0.00 0.00 54.58 51.47 2pw1 n ASN 100 Cb 0.24 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.13 2pw1 n ASN 100 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pw1 n ALA 100 N 1.14 0.00 -3.90 5.41 0.00 -1.26 -5.08 120.51 116.82 2pw1 n ALA 100 Ca 0.57 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.67 2pw1 n ALA 100 Cb 0.32 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.63 2pw1 n ALA 100 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2pw1 s MET 100 N -2.00 1.92 0.23 0.00 -1.94 -1.26 -4.43 119.30 111.82 2pw1 s MET 100 Ca 0.00 -1.65 0.12 0.00 -1.71 0.00 0.00 55.69 52.45 2pw1 s MET 100 Cb 0.00 -3.24 0.02 0.00 2.01 0.00 0.00 34.83 33.63 2pw1 s MET 100 CO 0.00 -0.84 1.41 0.38 -0.01 0.00 0.00 175.02 175.96 2pw1 h ASP 101 N 7.82 0.00 -3.57 3.03 2.03 -1.79 -3.45 116.42 120.49 2pw1 h ASP 101 Ca -0.12 0.00 -0.40 0.00 -0.73 0.00 0.00 57.03 55.78 2pw1 h ASP 101 Cb 1.04 0.00 -0.33 0.00 -0.83 0.00 0.00 39.33 39.21 2pw1 h ASP 101 CO 0.55 0.68 -0.77 -0.69 -1.03 0.00 0.00 179.24 177.99 2pw1 s VAL 102 N -2.94 0.55 0.22 4.15 1.01 -1.25 -5.01 120.40 117.12 2pw1 s VAL 102 Ca 0.02 -0.17 0.11 0.00 0.00 0.00 0.00 61.98 61.94 2pw1 s VAL 102 Cb 0.09 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2pw1 s VAL 102 CO 0.77 0.21 -0.16 0.26 0.00 0.00 0.00 175.10 176.18 2pw1 s TRP 103 N 0.67 2.44 0.76 5.22 0.52 -1.26 -0.54 118.94 126.75 2pw1 s TRP 103 Ca -0.09 -0.30 -0.08 0.00 0.02 0.00 0.00 56.10 55.65 2pw1 s TRP 103 Cb -0.12 -1.15 0.09 0.00 -1.15 0.00 0.00 33.47 31.14 2pw1 s TRP 103 CO 0.00 0.57 1.08 0.20 0.02 0.00 0.00 176.95 178.82 2pw1 s GLY 104 N -3.05 1.69 0.40 0.98 0.00 -0.36 -4.57 107.32 102.41 2pw1 s GLY 104 Ca 0.25 -0.99 0.19 0.00 0.00 0.00 0.00 44.72 44.17 2pw1 s GLY 104 CO 0.14 -0.51 1.82 0.06 0.00 0.00 0.00 173.10 174.60 2pw1 h GLN 105 N -0.80 0.00 0.00 2.90 3.07 -1.90 -3.45 115.11 114.93 2pw1 h GLN 105 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 2pw1 h GLN 105 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 2pw1 h GLN 105 CO 0.56 0.33 0.00 0.41 0.09 0.00 0.00 178.83 180.23 2pw1 n GLY 106 N -0.11 2.25 3.17 0.06 0.00 -1.26 -5.03 105.19 104.27 2pw1 n GLY 106 Ca -0.01 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 2pw1 n GLY 106 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pw1 s ILE 107 N -1.51 1.84 -0.16 -0.61 2.07 -0.07 -4.87 121.20 117.88 2pw1 s ILE 107 Ca 0.00 -0.88 -0.22 0.00 -1.41 0.00 0.00 60.65 58.13 2pw1 s ILE 107 Cb 0.00 -1.61 -0.03 0.00 0.13 0.00 0.00 42.46 40.95 2pw1 s ILE 107 CO 0.00 0.51 0.69 -0.89 -1.91 0.00 0.00 174.94 173.34 2pw1 s THR 108 N 0.49 5.00 -0.10 4.00 2.01 -1.26 0.18 115.64 125.96 2pw1 s THR 108 Ca -0.16 1.35 0.02 0.00 0.31 0.00 0.00 61.69 63.20 2pw1 s THR 108 Cb -0.17 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.35 2pw1 s THR 108 CO 0.06 0.13 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.30 2pw1 s VAL 109 N 1.66 1.34 -0.04 3.82 1.01 -0.40 -4.40 120.40 123.38 2pw1 s VAL 109 Ca 0.33 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2pw1 s VAL 109 Cb -0.16 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 2pw1 s VAL 109 CO 0.13 0.41 -0.06 -0.89 0.00 0.00 0.00 175.10 174.68 2pw1 s THR 110 N 1.02 3.73 -0.43 3.92 2.01 0.14 -1.91 115.64 124.12 2pw1 s THR 110 Ca -0.07 -0.59 -0.00 0.00 0.31 0.00 0.00 61.69 61.34 2pw1 s THR 110 Cb -0.15 -2.57 0.12 0.00 0.01 0.00 0.00 72.50 69.91 2pw1 s THR 110 CO -0.01 0.51 0.20 -0.63 -0.69 0.00 0.00 174.62 173.99 2pw1 s ILE 111 N -0.90 2.98 0.01 1.82 1.01 -1.26 -1.08 121.20 123.79 2pw1 s ILE 111 Ca 0.15 -2.38 0.02 0.00 0.00 0.00 0.00 60.65 58.44 2pw1 s ILE 111 Cb -0.11 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 2pw1 s ILE 111 CO 0.04 -0.70 -0.06 -0.55 0.00 0.00 0.00 174.94 173.67 2pw1 s SER 112 N 1.21 0.68 0.00 3.58 0.15 -0.82 -4.31 113.70 114.20 2pw1 s SER 112 Ca 0.11 -0.23 0.26 0.00 0.70 0.00 0.00 55.95 56.79 2pw1 s SER 112 Cb -0.22 -0.04 1.16 0.00 -1.71 0.00 0.00 66.02 65.22 2pw1 s SER 112 CO -0.05 -0.01 1.79 -1.54 1.20 0.00 0.00 173.24 174.63 2pw1 n SER 113 N 2.52 1.03 -4.87 5.45 3.41 -1.26 -4.05 113.62 115.84 2pw1 n SER 113 Ca -0.16 -1.44 -0.30 0.00 -0.26 0.00 0.00 58.87 56.71 2pw1 n SER 113 Cb 0.57 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 2pw1 n SER 113 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2pw1 s THR 114 N -1.95 4.72 0.21 6.66 2.01 -1.26 -5.05 115.64 120.98 2pw1 s THR 114 Ca 0.37 0.78 0.10 0.00 0.31 0.00 0.00 61.69 63.25 2pw1 s THR 114 Cb 0.19 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 2pw1 s THR 114 CO 0.31 -0.80 -0.14 -0.55 -0.69 0.00 0.00 174.62 172.75 2pw1 s SER 115 N -3.59 3.99 -0.33 3.53 0.15 -1.26 -5.06 113.70 111.13 2pw1 s SER 115 Ca 0.54 -0.72 -0.43 0.00 0.70 0.00 0.00 55.95 56.04 2pw1 s SER 115 Cb -0.10 -0.56 -0.18 0.00 -1.71 0.00 0.00 66.02 63.47 2pw1 s SER 115 CO 0.40 0.09 1.62 0.41 1.20 0.00 0.00 173.24 176.96 2pw1 n THR 116 N -0.09 0.14 -3.72 6.45 -1.04 -1.26 -4.70 114.28 110.05 2pw1 n THR 116 Ca -0.10 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.05 61.76 2pw1 n THR 116 Cb 0.57 -0.82 -0.10 0.00 -1.82 0.00 0.00 70.33 68.15 2pw1 n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2pw1 s LYS 117 N 2.91 0.46 0.54 -2.82 2.20 0.13 -4.95 119.74 118.20 2pw1 s LYS 117 Ca 1.00 0.62 -0.16 0.00 -0.36 0.00 0.00 55.97 57.07 2pw1 s LYS 117 Cb -1.25 0.17 -0.07 0.00 -1.51 0.00 0.00 37.83 35.17 2pw1 s LYS 117 CO 0.71 -0.08 1.00 0.20 -0.36 0.00 0.00 175.35 176.82 2pw1 s GLY 118 N 0.51 2.04 0.51 5.54 0.00 -1.26 -0.77 107.32 113.89 2pw1 s GLY 118 Ca -0.02 0.20 -0.18 0.00 0.00 0.00 0.00 44.72 44.71 2pw1 s GLY 118 CO -0.03 0.48 1.00 2.56 0.00 0.00 0.00 173.10 177.12 2pw1 s PRO 119 N -4.16 3.85 -0.16 2.90 0.04 -1.26 -4.46 135.00 131.74 2pw1 s PRO 119 Ca 0.59 1.11 -0.07 0.00 0.04 0.00 0.00 61.00 62.68 2pw1 s PRO 119 Cb -0.11 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2pw1 s PRO 119 CO 0.34 -0.36 0.07 -1.12 0.04 0.00 0.00 177.00 175.96 2pw1 s SER 120 N -2.64 5.72 -0.21 6.66 0.01 0.28 -4.92 113.70 118.60 2pw1 s SER 120 Ca 0.62 0.15 -0.04 0.00 1.31 0.00 0.00 55.95 57.99 2pw1 s SER 120 Cb -0.12 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.17 2pw1 s SER 120 CO 0.27 0.23 -0.02 -0.69 0.41 0.00 0.00 173.24 173.43 2pw1 s VAL 121 N 0.02 3.61 0.15 3.43 1.01 -1.26 -1.35 120.40 126.02 2pw1 s VAL 121 Ca 0.06 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.72 2pw1 s VAL 121 Cb -0.12 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2pw1 s VAL 121 CO 0.01 0.42 -0.16 -0.36 0.00 0.00 0.00 175.10 175.01 2pw1 s PHE 122 N 1.29 2.53 0.33 5.22 0.08 -0.19 -4.95 117.98 122.28 2pw1 s PHE 122 Ca 0.04 -0.26 -0.22 0.00 0.12 0.00 0.00 56.93 56.60 2pw1 s PHE 122 Cb -0.14 -1.29 -0.10 0.00 -0.57 0.00 0.00 43.02 40.92 2pw1 s PHE 122 CO -0.01 0.45 0.87 -1.25 -0.10 0.00 0.00 175.22 175.18 2pw1 s PRO 123 N -2.49 4.34 -0.33 0.24 0.04 -1.26 0.10 135.00 135.63 2pw1 s PRO 123 Ca 0.21 1.08 0.04 0.00 0.04 0.00 0.00 61.00 62.37 2pw1 s PRO 123 Cb -0.09 -2.61 0.10 0.00 0.04 0.00 0.00 34.50 31.93 2pw1 s PRO 123 CO 0.12 0.21 0.04 -0.51 0.04 0.00 0.00 177.00 176.90 2pw1 s LEU 124 N -2.44 4.68 -0.00 -3.56 1.43 0.19 -4.76 118.68 114.21 2pw1 s LEU 124 Ca 0.52 -2.11 0.05 0.00 -1.03 0.00 0.00 54.13 51.57 2pw1 s LEU 124 Cb -0.15 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 2pw1 s LEU 124 CO 0.20 -0.37 -0.15 0.00 0.23 0.00 0.00 176.35 176.26 2pw1 s ALA 125 N 0.91 2.66 0.00 4.21 0.00 -1.26 -0.90 121.76 127.39 2pw1 s ALA 125 Ca 0.10 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2pw1 s ALA 125 Cb -0.19 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2pw1 s ALA 125 CO -0.08 0.57 0.00 -2.30 0.00 0.00 0.00 175.76 173.95 2pw1 n PRO 126 N 1.86 0.00 0.00 0.00 -0.02 -1.26 -5.04 135.00 130.55 2pw1 n PRO 126 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2pw1 n PRO 126 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 2pw1 n PRO 126 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2pw1 n THR 136 N 0.00 0.00 -4.72 3.45 -2.24 -1.26 -5.09 114.28 104.42 2pw1 n THR 136 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 2pw1 n THR 136 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 2pw1 n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pw1 s ALA 137 N 0.00 2.66 0.29 6.98 0.00 -0.02 -4.80 121.76 126.87 2pw1 s ALA 137 Ca 0.00 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 50.93 2pw1 s ALA 137 Cb 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 2pw1 s ALA 137 CO 0.00 0.57 0.26 0.00 0.00 0.00 0.00 175.76 176.59 2pw1 s ALA 138 N -0.87 3.75 -0.21 0.00 0.00 -1.26 -1.41 121.76 121.76 2pw1 s ALA 138 Ca 0.14 -1.51 -0.33 0.00 0.00 0.00 0.00 51.96 50.25 2pw1 s ALA 138 Cb -0.11 -1.29 0.15 0.00 0.00 0.00 0.00 23.12 21.87 2pw1 s ALA 138 CO 0.04 0.13 1.22 -1.17 0.00 0.00 0.00 175.76 175.98 2pw1 s LEU 139 N -3.93 -0.14 0.00 0.00 0.20 -1.01 -3.98 118.68 109.81 2pw1 s LEU 139 Ca 0.37 0.05 0.00 0.00 0.69 0.00 0.00 54.13 55.24 2pw1 s LEU 139 Cb -0.07 1.37 0.00 0.00 -0.43 0.00 0.00 46.19 47.06 2pw1 s LEU 139 CO 0.26 -0.20 0.00 0.61 -0.29 0.00 0.00 176.35 176.73 2pw1 n GLY 140 N 0.13 -1.21 2.76 7.98 0.00 -0.08 0.96 105.19 115.74 2pw1 n GLY 140 Ca -0.01 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 2pw1 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pw1 s LEU 142 N 1.93 4.08 -0.73 0.00 2.96 0.11 -3.13 118.68 123.90 2pw1 s LEU 142 Ca 0.03 1.66 -0.12 0.00 -0.22 0.00 0.00 54.13 55.48 2pw1 s LEU 142 Cb -0.14 -3.54 0.19 0.00 0.50 0.00 0.00 46.19 43.21 2pw1 s LEU 142 CO -0.06 -0.96 0.65 -0.69 -1.32 0.00 0.00 176.35 173.97 2pw1 s VAL 143 N 4.13 5.18 0.01 1.68 1.01 0.18 -1.03 120.40 131.57 2pw1 s VAL 143 Ca 0.62 -2.37 0.02 0.00 0.00 0.00 0.00 61.98 60.25 2pw1 s VAL 143 Cb -0.23 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 2pw1 s VAL 143 CO 0.22 -0.97 -0.02 -0.75 0.00 0.00 0.00 175.10 173.58 2pw1 s LYS 144 N 0.40 2.68 -0.95 2.72 2.20 -0.45 -0.87 119.74 125.46 2pw1 s LYS 144 Ca 0.15 -0.67 -0.05 0.00 -0.36 0.00 0.00 55.97 55.03 2pw1 s LYS 144 Cb -0.15 -2.60 -0.06 0.00 -1.51 0.00 0.00 37.83 33.51 2pw1 s LYS 144 CO -0.06 0.61 0.84 -0.25 -0.36 0.00 0.00 175.35 176.13 2pw1 n ASP 145 N 1.35 -6.47 -4.44 1.43 8.00 -0.60 -0.55 116.55 115.27 2pw1 n ASP 145 Ca -0.14 -0.61 -0.22 0.00 0.71 0.00 0.00 54.79 54.53 2pw1 n ASP 145 Cb 0.53 -4.93 -0.10 0.00 -0.02 0.00 0.00 41.12 36.59 2pw1 n ASP 145 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2pw1 s TYR 146 N -3.33 1.98 -0.28 1.24 1.13 -0.97 -4.28 117.35 112.83 2pw1 s TYR 146 Ca 0.39 -0.77 -0.23 0.00 -1.41 0.00 0.00 57.07 55.05 2pw1 s TYR 146 Cb -0.05 -1.19 0.13 0.00 -1.10 0.00 0.00 41.96 39.75 2pw1 s TYR 146 CO 0.69 0.21 1.03 0.12 -2.51 0.00 0.00 175.55 175.10 2pw1 s PHE 147 N -3.08 -0.49 0.00 -3.49 5.36 0.05 -0.60 117.98 115.74 2pw1 s PHE 147 Ca 0.31 1.14 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 2pw1 s PHE 147 Cb 0.05 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 2pw1 s PHE 147 CO 0.13 -0.24 0.00 -0.35 -1.46 0.00 0.00 175.22 173.30 2pw1 n PRO 148 N 2.49 1.94 -1.89 10.12 -0.04 -1.26 0.20 135.00 146.56 2pw1 n PRO 148 Ca -0.14 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.00 2pw1 n PRO 148 Cb 0.56 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.04 2pw1 n PRO 148 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2pw1 s GLU 149 N 0.47 3.23 0.00 0.54 0.41 -1.26 -4.74 118.70 117.35 2pw1 s GLU 149 Ca 0.00 1.08 0.00 0.00 -0.41 0.00 0.00 54.97 55.64 2pw1 s GLU 149 Cb 0.00 -2.03 0.00 0.00 -1.78 0.00 0.00 34.13 30.32 2pw1 s GLU 149 CO 0.00 -0.87 0.00 -0.35 -0.49 0.00 0.00 175.26 173.55 2pw1 n PRO 150 N -2.42 1.85 -3.91 0.39 -0.04 -1.26 -4.97 135.00 124.64 2pw1 n PRO 150 Ca 0.08 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.44 2pw1 n PRO 150 Cb 0.53 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.89 2pw1 n PRO 150 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2pw1 s VAL 151 N -0.01 0.08 -0.00 0.52 0.11 -1.26 -4.36 120.40 115.47 2pw1 s VAL 151 Ca 0.00 -0.70 0.04 0.00 -2.93 0.00 0.00 61.98 58.39 2pw1 s VAL 151 Cb 0.00 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 2pw1 s VAL 151 CO 0.00 -0.39 -0.11 0.42 -3.33 0.00 0.00 175.10 171.70 2pw1 s THR 152 N -1.27 3.34 -0.04 5.04 -4.23 0.46 -4.96 115.64 113.97 2pw1 s THR 152 Ca -0.14 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.55 2pw1 s THR 152 Cb -0.08 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.38 2pw1 s THR 152 CO 0.01 0.44 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.81 2pw1 s VAL 153 N -0.91 0.37 0.15 2.29 1.01 -1.26 -1.51 120.40 120.54 2pw1 s VAL 153 Ca 0.15 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.14 2pw1 s VAL 153 Cb -0.11 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2pw1 s VAL 153 CO 0.05 0.20 -0.04 -0.94 0.00 0.00 0.00 175.10 174.37 2pw1 s SER 154 N 1.06 1.34 -0.10 3.32 1.04 -0.04 -4.97 113.70 115.36 2pw1 s SER 154 Ca -0.09 -1.09 0.04 0.00 0.48 0.00 0.00 55.95 55.29 2pw1 s SER 154 Cb -0.14 0.08 -0.00 0.00 0.10 0.00 0.00 66.02 66.06 2pw1 s SER 154 CO -0.01 -0.49 -0.24 0.26 0.98 0.00 0.00 173.24 173.74 2pw1 s TRP 155 N -3.57 2.52 -1.35 5.02 0.52 -1.26 0.82 118.94 121.64 2pw1 s TRP 155 Ca 0.19 -1.01 -0.05 0.00 0.02 0.00 0.00 56.10 55.25 2pw1 s TRP 155 Cb 0.05 -1.68 0.02 0.00 -1.15 0.00 0.00 33.47 30.71 2pw1 s TRP 155 CO 0.01 -0.40 0.92 0.09 0.02 0.00 0.00 176.95 177.58 2pw1 n ASN 156 N 3.48 -3.11 -1.88 2.95 3.02 -0.32 -1.95 115.26 117.45 2pw1 n ASN 156 Ca -0.19 -0.72 -0.19 0.00 -0.03 0.00 0.00 54.58 53.45 2pw1 n ASN 156 Cb 0.53 -4.41 -0.05 0.00 -0.61 0.00 0.00 39.78 35.24 2pw1 n ASN 156 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2pw1 n SER 157 N -3.01 -5.09 0.00 6.41 7.64 -1.26 -1.72 113.62 116.59 2pw1 n SER 157 Ca -0.16 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2pw1 n SER 157 Cb 0.62 -4.43 0.00 0.00 -1.01 0.00 0.00 64.21 59.39 2pw1 n SER 157 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pw1 n GLY 158 N -0.59 1.14 0.11 0.23 0.00 -0.89 -4.97 105.19 100.23 2pw1 n GLY 158 Ca -0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.95 2pw1 n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pw1 h ALA 159 N 0.00 0.86 -3.00 4.61 0.00 -1.27 -3.43 119.26 117.03 2pw1 h ALA 159 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 2pw1 h ALA 159 Cb 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.55 2pw1 h ALA 159 CO 0.00 0.00 -0.66 -1.17 0.00 0.00 0.00 179.25 177.42 2pw1 s LEU 160 N -4.72 3.23 0.00 0.00 0.20 -0.82 -4.87 118.68 111.70 2pw1 s LEU 160 Ca 0.08 -0.27 0.00 0.00 0.69 0.00 0.00 54.13 54.64 2pw1 s LEU 160 Cb 0.11 -1.84 0.00 0.00 -0.43 0.00 0.00 46.19 44.03 2pw1 s LEU 160 CO 0.65 -0.01 0.00 0.35 -0.29 0.00 0.00 176.35 177.05 2pw1 n THR 161 N 4.75 0.00 -2.63 3.68 -2.24 -1.26 -4.17 114.28 112.41 2pw1 n THR 161 Ca -0.17 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 2pw1 n THR 161 Cb 0.51 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 2pw1 n THR 161 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2pw1 s SER 162 N -1.11 7.18 0.00 3.42 0.15 -1.26 -3.10 113.70 118.97 2pw1 s SER 162 Ca 0.00 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.22 2pw1 s SER 162 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2pw1 s SER 162 CO 0.00 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2pw1 n GLY 163 N 3.20 0.68 3.86 9.45 0.00 -1.26 -4.80 105.19 116.32 2pw1 n GLY 163 Ca 0.10 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2pw1 n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pw1 s VAL 164 N -2.00 5.26 -0.21 1.61 1.01 -1.18 -1.12 120.40 123.77 2pw1 s VAL 164 Ca 0.00 0.47 -0.04 0.00 0.00 0.00 0.00 61.98 62.41 2pw1 s VAL 164 Cb 0.00 -3.57 0.08 0.00 0.00 0.00 0.00 36.38 32.90 2pw1 s VAL 164 CO 0.00 0.55 0.14 -1.00 0.00 0.00 0.00 175.10 174.79 2pw1 s HIS 165 N -1.11 0.08 -0.29 5.22 3.76 0.22 -5.00 115.29 118.17 2pw1 s HIS 165 Ca 0.21 -0.32 -0.10 0.00 -0.15 0.00 0.00 55.06 54.70 2pw1 s HIS 165 Cb -0.14 -0.66 -0.02 0.00 1.11 0.00 0.00 32.58 32.87 2pw1 s HIS 165 CO 0.10 -0.63 0.15 0.99 -0.85 0.00 0.00 174.74 174.50 2pw1 s THR 166 N 2.18 4.74 0.52 1.30 2.01 -1.26 -1.30 115.64 123.83 2pw1 s THR 166 Ca 0.05 -0.23 -0.13 0.00 0.31 0.00 0.00 61.69 61.69 2pw1 s THR 166 Cb -0.16 -3.34 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 2pw1 s THR 166 CO -0.18 0.15 0.93 -0.36 -0.69 0.00 0.00 174.62 174.48 2pw1 s PHE 167 N 1.65 3.51 0.44 4.92 0.08 -0.26 -5.01 117.98 123.32 2pw1 s PHE 167 Ca 0.06 1.27 -0.25 0.00 0.12 0.00 0.00 56.93 58.13 2pw1 s PHE 167 Cb -0.16 -2.65 -0.08 0.00 -0.57 0.00 0.00 43.02 39.55 2pw1 s PHE 167 CO 0.07 -0.39 1.28 -2.14 -0.10 0.00 0.00 175.22 173.94 2pw1 s PRO 168 N -4.39 3.79 0.40 0.24 0.02 -1.26 -4.52 135.00 129.28 2pw1 s PRO 168 Ca 0.55 2.09 -0.20 0.00 0.02 0.00 0.00 61.00 63.47 2pw1 s PRO 168 Cb -0.10 -2.60 -0.11 0.00 0.02 0.00 0.00 34.50 31.71 2pw1 s PRO 168 CO 0.39 -0.62 0.90 0.00 -0.33 0.00 0.00 177.00 177.34 2pw1 s ALA 169 N -1.33 3.11 -0.05 -1.55 0.00 -1.26 -4.79 121.76 115.90 2pw1 s ALA 169 Ca 0.61 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.89 2pw1 s ALA 169 Cb -0.37 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2pw1 s ALA 169 CO 0.46 0.18 -0.04 0.14 0.00 0.00 0.00 175.76 176.50 2pw1 s VAL 170 N -2.13 3.93 -0.38 0.00 -7.23 -0.60 -4.91 120.40 109.08 2pw1 s VAL 170 Ca 0.60 -0.50 -0.23 0.00 -1.81 0.00 0.00 61.98 60.05 2pw1 s VAL 170 Cb -0.09 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 34.20 2pw1 s VAL 170 CO 0.14 0.52 0.77 -0.22 -0.31 0.00 0.00 175.10 176.00 2pw1 s LEU 171 N -1.08 4.18 0.69 1.32 0.20 -1.26 -1.56 118.68 121.16 2pw1 s LEU 171 Ca 0.15 0.21 -0.11 0.00 0.69 0.00 0.00 54.13 55.07 2pw1 s LEU 171 Cb -0.11 -2.98 0.00 0.00 -0.43 0.00 0.00 46.19 42.67 2pw1 s LEU 171 CO 0.04 -0.76 1.06 -1.10 -0.29 0.00 0.00 176.35 175.30 2pw1 s GLN 172 N 3.10 3.00 0.19 1.98 -0.21 0.46 -4.90 119.66 123.29 2pw1 s GLN 172 Ca 0.30 0.89 0.12 0.00 0.02 0.00 0.00 55.36 56.69 2pw1 s GLN 172 Cb -0.13 -2.00 0.67 0.00 1.00 0.00 0.00 33.01 32.55 2pw1 s GLN 172 CO 0.18 -1.04 1.37 -1.13 -2.12 0.00 0.00 175.29 172.56 2pw1 n SER 173 N -3.08 0.32 0.14 5.90 3.41 -1.26 -0.53 113.62 118.52 2pw1 n SER 173 Ca 0.07 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 2pw1 n SER 173 Cb 0.54 -0.68 0.30 0.00 -0.26 0.00 0.00 64.21 64.11 2pw1 n SER 173 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2pw1 h SER 174 N 0.00 0.00 0.00 4.04 4.64 -2.01 -3.47 113.55 116.75 2pw1 h SER 174 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2pw1 h SER 174 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2pw1 h SER 174 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 2pw1 n GLY 175 N 1.24 0.74 3.54 -0.77 0.00 0.31 -4.81 105.19 105.44 2pw1 n GLY 175 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2pw1 n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pw1 s LEU 176 N 0.00 2.90 0.36 0.99 1.43 -1.25 -4.71 118.68 118.40 2pw1 s LEU 176 Ca 0.00 -0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 52.56 2pw1 s LEU 176 Cb 0.00 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 2pw1 s LEU 176 CO 0.00 0.17 0.67 -0.31 0.23 0.00 0.00 176.35 177.11 2pw1 s TYR 177 N -1.21 3.48 0.03 0.29 2.02 0.23 -0.40 117.35 121.80 2pw1 s TYR 177 Ca 0.20 0.82 0.00 0.00 -0.37 0.00 0.00 57.07 57.72 2pw1 s TYR 177 Cb -0.11 -2.26 -0.02 0.00 -0.40 0.00 0.00 41.96 39.17 2pw1 s TYR 177 CO 0.12 0.01 -0.04 0.45 -1.57 0.00 0.00 175.55 174.52 2pw1 s SER 178 N -3.29 0.39 0.12 2.29 0.15 -0.60 -1.55 113.70 111.21 2pw1 s SER 178 Ca 0.47 -0.61 -0.23 0.00 0.70 0.00 0.00 55.95 56.29 2pw1 s SER 178 Cb -0.10 0.11 0.06 0.00 -1.71 0.00 0.00 66.02 64.38 2pw1 s SER 178 CO 0.32 -0.34 0.57 -0.22 1.20 0.00 0.00 173.24 174.77 2pw1 s LEU 179 N -1.77 -0.36 0.05 3.45 0.20 -0.05 -1.56 118.68 118.64 2pw1 s LEU 179 Ca -0.10 0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.78 2pw1 s LEU 179 Cb -0.07 2.42 -0.03 0.00 -0.43 0.00 0.00 46.19 48.08 2pw1 s LEU 179 CO -0.02 -0.89 -0.08 -0.94 -0.29 0.00 0.00 176.35 174.13 2pw1 s SER 180 N -2.51 0.97 -0.05 3.68 1.04 -1.26 0.49 113.70 116.05 2pw1 s SER 180 Ca -0.01 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2pw1 s SER 180 Cb -0.00 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.18 2pw1 s SER 180 CO -0.09 -0.23 -0.02 -0.55 0.98 0.00 0.00 173.24 173.32 2pw1 s SER 181 N -1.83 1.11 0.21 7.02 0.15 -1.18 -1.10 113.70 118.07 2pw1 s SER 181 Ca -0.06 -0.09 0.07 0.00 0.70 0.00 0.00 55.95 56.57 2pw1 s SER 181 Cb -0.08 -0.41 -0.05 0.00 -1.71 0.00 0.00 66.02 63.78 2pw1 s SER 181 CO -0.00 -0.12 -0.14 0.68 1.20 0.00 0.00 173.24 174.87 2pw1 s VAL 182 N 1.34 1.70 -0.10 4.45 -7.23 -0.42 -1.31 120.40 118.84 2pw1 s VAL 182 Ca -0.05 -2.20 -0.05 0.00 -1.81 0.00 0.00 61.98 57.88 2pw1 s VAL 182 Cb -0.13 -2.06 0.05 0.00 0.56 0.00 0.00 36.38 34.79 2pw1 s VAL 182 CO -0.02 -0.59 0.22 0.54 -0.31 0.00 0.00 175.10 174.94 2pw1 s VAL 183 N -3.00 -0.06 -0.14 1.32 0.11 0.27 -0.61 120.40 118.29 2pw1 s VAL 183 Ca 0.23 0.17 -0.07 0.00 -2.93 0.00 0.00 61.98 59.37 2pw1 s VAL 183 Cb -0.00 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 2pw1 s VAL 183 CO 0.07 0.07 0.13 0.42 -3.33 0.00 0.00 175.10 172.45 2pw1 s THR 184 N 1.32 5.41 0.33 5.04 -4.23 -0.27 -2.41 115.64 120.83 2pw1 s THR 184 Ca -0.09 0.18 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 2pw1 s THR 184 Cb -0.11 -3.38 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 2pw1 s THR 184 CO -0.08 0.58 0.38 1.33 -0.54 0.00 0.00 174.62 176.29 2pw1 n VAL 185 N 2.33 0.00 -2.21 2.29 0.24 -0.50 -4.62 118.33 115.85 2pw1 n VAL 185 Ca -0.19 -2.03 -0.42 0.00 -2.04 0.00 0.00 64.34 59.65 2pw1 n VAL 185 Cb 0.54 1.12 -0.02 0.00 -1.47 0.00 0.00 33.84 34.01 2pw1 n VAL 185 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 2pw1 s PRO 186 N -3.03 3.37 0.03 7.34 0.02 -1.26 -0.84 135.00 140.63 2pw1 s PRO 186 Ca 0.33 1.01 -0.07 0.00 0.02 0.00 0.00 61.00 62.30 2pw1 s PRO 186 Cb 0.00 -4.13 -0.02 0.00 0.02 0.00 0.00 34.50 30.38 2pw1 s PRO 186 CO 0.24 -1.82 0.34 0.43 -0.33 0.00 0.00 177.00 175.86 2pw1 n SER 187 N 9.77 -0.23 -0.08 2.53 7.64 -1.26 0.53 113.62 132.52 2pw1 n SER 187 Ca 0.18 0.39 0.22 0.00 1.01 0.00 0.00 58.87 60.67 2pw1 n SER 187 Cb 0.48 -0.05 0.35 0.00 -1.01 0.00 0.00 64.21 63.97 2pw1 n SER 187 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2pw1 h SER 188 N 0.00 0.00 -3.83 6.43 0.02 -2.00 -3.47 113.55 110.69 2pw1 h SER 188 Ca 0.03 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.55 2pw1 h SER 188 Cb 0.09 0.00 0.17 0.00 0.14 0.00 0.00 62.40 62.80 2pw1 h SER 188 CO -0.21 0.00 0.22 -0.44 -1.14 0.00 0.00 176.83 175.26 2pw1 s SER 189 N -3.39 2.21 0.15 3.07 0.01 0.19 -5.23 113.70 110.71 2pw1 s SER 189 Ca -0.02 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.06 2pw1 s SER 189 Cb 0.11 -1.24 0.00 0.00 0.21 0.00 0.00 66.02 65.10 2pw1 s SER 189 CO 0.36 -3.34 0.00 1.67 0.41 0.00 0.00 173.24 172.34 2pw1 n GLN 193 N -4.27 -1.25 -3.91 12.44 -0.06 -1.26 -5.05 117.38 114.02 2pw1 n GLN 193 Ca 0.09 0.94 -0.29 0.00 -2.00 0.00 0.00 57.00 55.75 2pw1 n GLN 193 Cb 0.59 -1.09 -0.04 0.00 -4.06 0.00 0.00 30.24 25.64 2pw1 n GLN 193 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2pw1 s THR 194 N -2.99 5.35 -0.12 1.69 -4.23 -1.26 -5.10 115.64 108.98 2pw1 s THR 194 Ca 0.00 -0.48 0.01 0.00 -1.18 0.00 0.00 61.69 60.05 2pw1 s THR 194 Cb 0.00 -3.67 0.02 0.00 1.34 0.00 0.00 72.50 70.18 2pw1 s THR 194 CO 0.00 0.04 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.67 2pw1 s TYR 195 N -1.62 1.94 -0.07 3.99 2.02 -1.26 -4.95 117.35 117.40 2pw1 s TYR 195 Ca 0.35 -0.95 0.00 0.00 -0.37 0.00 0.00 57.07 56.10 2pw1 s TYR 195 Cb -0.12 -1.42 0.02 0.00 -0.40 0.00 0.00 41.96 40.04 2pw1 s TYR 195 CO 0.28 -0.51 -0.05 0.99 -1.57 0.00 0.00 175.55 174.69 2pw1 s THR 196 N 1.16 0.67 -0.29 -0.71 2.01 -1.26 -0.48 115.64 116.74 2pw1 s THR 196 Ca -0.03 -0.12 -0.24 0.00 0.31 0.00 0.00 61.69 61.61 2pw1 s THR 196 Cb -0.14 -0.72 -0.00 0.00 0.01 0.00 0.00 72.50 71.65 2pw1 s THR 196 CO -0.04 0.28 0.81 0.00 -0.69 0.00 0.00 174.62 174.98 2pw1 s ASN 198 N 1.55 6.30 -0.10 0.00 -0.87 0.24 -1.43 114.94 120.63 2pw1 s ASN 198 Ca 0.33 -0.37 0.02 0.00 -1.57 0.00 0.00 52.86 51.28 2pw1 s ASN 198 Cb -0.14 -2.30 -0.01 0.00 -0.02 0.00 0.00 41.25 38.78 2pw1 s ASN 198 CO 0.11 -0.71 -0.18 -0.69 -2.57 0.00 0.00 177.10 173.06 2pw1 s VAL 199 N 2.65 2.65 -0.08 1.60 1.01 0.11 -0.86 120.40 127.47 2pw1 s VAL 199 Ca 0.20 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 2pw1 s VAL 199 Cb -0.15 -2.06 0.04 0.00 0.00 0.00 0.00 36.38 34.21 2pw1 s VAL 199 CO 0.17 0.55 0.05 0.21 0.00 0.00 0.00 175.10 176.08 2pw1 s ASN 200 N 0.14 1.60 -0.40 3.32 2.47 -0.57 -0.11 114.94 121.39 2pw1 s ASN 200 Ca -0.09 -0.15 -0.03 0.00 0.42 0.00 0.00 52.86 53.00 2pw1 s ASN 200 Cb -0.16 -0.27 0.10 0.00 -1.45 0.00 0.00 41.25 39.47 2pw1 s ASN 200 CO 0.06 -0.26 0.18 -2.28 -3.72 0.00 0.00 177.10 171.08 2pw1 s HIS 201 N 2.09 3.52 0.17 0.43 5.65 -0.13 -0.41 115.29 126.61 2pw1 s HIS 201 Ca 0.04 -2.25 -0.10 0.00 0.25 0.00 0.00 55.06 52.99 2pw1 s HIS 201 Cb -0.13 -3.05 0.06 0.00 -1.18 0.00 0.00 32.58 28.28 2pw1 s HIS 201 CO -0.05 -0.94 1.65 0.87 -0.65 0.00 0.00 174.74 175.62 2pw1 h LYS 202 N 8.08 1.00 -1.00 2.88 1.57 -1.83 -1.12 116.57 126.15 2pw1 h LYS 202 Ca -0.15 -0.28 0.20 0.00 -1.87 0.00 0.00 60.65 58.55 2pw1 h LYS 202 Cb 1.05 -0.11 -0.11 0.00 0.08 0.00 0.00 32.23 33.14 2pw1 h LYS 202 CO 0.68 0.96 0.61 -1.35 -0.57 0.00 0.00 179.45 179.78 2pw1 h PRO 203 N 0.89 0.70 -0.00 3.15 0.11 -1.91 -1.28 132.00 133.66 2pw1 h PRO 203 Ca 0.18 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2pw1 h PRO 203 Cb 0.46 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.41 2pw1 h PRO 203 CO 0.02 0.46 -0.73 -1.13 -0.21 0.00 0.00 178.00 176.41 2pw1 n SER 204 N -4.80 1.01 -3.03 -2.05 3.41 -1.20 -4.98 113.62 101.99 2pw1 n SER 204 Ca 0.24 -0.86 -0.14 0.00 -0.26 0.00 0.00 58.87 57.85 2pw1 n SER 204 Cb 0.61 0.65 0.07 0.00 -0.26 0.00 0.00 64.21 65.28 2pw1 n SER 204 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2pw1 n ASN 205 N -1.22 -3.06 -4.12 4.04 3.02 -0.49 -4.87 115.26 108.57 2pw1 n ASN 205 Ca 0.06 -0.54 -0.33 0.00 -0.03 0.00 0.00 54.58 53.74 2pw1 n ASN 205 Cb 0.35 -4.42 -0.15 0.00 -0.61 0.00 0.00 39.78 34.95 2pw1 n ASN 205 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2pw1 s THR 206 N -3.31 2.22 -0.14 3.41 2.01 -0.51 -5.02 115.64 114.31 2pw1 s THR 206 Ca 0.10 -1.17 0.02 0.00 0.31 0.00 0.00 61.69 60.96 2pw1 s THR 206 Cb -0.01 -2.08 0.01 0.00 0.01 0.00 0.00 72.50 70.43 2pw1 s THR 206 CO 0.62 0.31 -0.21 -0.75 -0.69 0.00 0.00 174.62 173.90 2pw1 s LYS 207 N 1.24 2.92 -0.02 4.92 2.20 -1.26 -0.96 119.74 128.78 2pw1 s LYS 207 Ca -0.00 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 2pw1 s LYS 207 Cb -0.16 -2.39 0.01 0.00 -1.51 0.00 0.00 37.83 33.77 2pw1 s LYS 207 CO -0.09 -0.06 -0.05 0.08 -0.36 0.00 0.00 175.35 174.87 2pw1 s VAL 208 N 0.92 0.49 -0.17 4.02 1.01 0.84 -5.01 120.40 122.50 2pw1 s VAL 208 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2pw1 s VAL 208 Cb -0.15 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.79 2pw1 s VAL 208 CO -0.04 0.17 -0.16 -1.81 0.00 0.00 0.00 175.10 173.26 2pw1 s ASP 209 N 0.24 3.50 -0.18 3.32 1.01 -1.26 0.06 116.67 123.36 2pw1 s ASP 209 Ca -0.03 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 52.69 2pw1 s ASP 209 Cb -0.07 -1.55 0.04 0.00 1.01 0.00 0.00 42.92 42.35 2pw1 s ASP 209 CO -0.00 0.03 -0.08 -0.75 0.21 0.00 0.00 175.17 174.58 2pw1 s LYS 210 N 1.11 1.78 -0.04 8.23 2.47 -0.51 -4.96 119.74 127.81 2pw1 s LYS 210 Ca 0.00 -0.66 -0.27 0.00 -1.56 0.00 0.00 55.97 53.48 2pw1 s LYS 210 Cb -0.14 -2.19 -0.03 0.00 -1.46 0.00 0.00 37.83 34.01 2pw1 s LYS 210 CO -0.06 -0.41 0.87 0.50 0.16 0.00 0.00 175.35 176.42 2pw1 s ARG 211 N 1.52 4.49 -0.23 4.03 3.52 -1.26 -0.04 118.95 130.98 2pw1 s ARG 211 Ca 0.00 1.20 -0.02 0.00 -0.13 0.00 0.00 55.73 56.78 2pw1 s ARG 211 Cb -0.15 -3.47 0.01 0.00 -1.56 0.00 0.00 34.95 29.78 2pw1 s ARG 211 CO -0.08 -0.05 -0.08 0.08 -0.81 0.00 0.00 175.30 174.36 2pw1 s VAL 212 N 1.10 2.89 0.18 7.11 1.01 0.37 -4.98 120.40 128.08 2pw1 s VAL 212 Ca 0.46 -0.82 0.11 0.00 0.00 0.00 0.00 61.98 61.73 2pw1 s VAL 212 Cb -0.19 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2pw1 s VAL 212 CO 0.23 0.34 -0.24 -1.83 0.00 0.00 0.00 175.10 173.60 2pw1 s GLU 213 N 1.37 1.48 0.00 2.72 -1.05 -1.26 -4.46 118.70 117.50 2pw1 s GLU 213 Ca 0.03 -1.48 0.00 0.00 -0.15 0.00 0.00 54.97 53.37 2pw1 s GLU 213 Cb -0.15 -1.83 0.00 0.00 -0.44 0.00 0.00 34.13 31.71 2pw1 s GLU 213 CO -0.06 0.40 0.28 -2.30 0.95 0.00 0.00 175.26 174.54