#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w39 s GLU 2 N 0.00 3.11 0.10 0.03 -1.05 -1.26 -5.09 118.70 114.53 1w39 s GLU 2 Ca 0.00 -0.73 -0.24 0.00 -0.15 0.00 0.00 54.97 53.85 1w39 s GLU 2 Cb 0.00 -2.79 -0.07 0.00 -0.44 0.00 0.00 34.13 30.84 1w39 s GLU 2 CO 0.00 0.51 0.73 0.42 0.95 0.00 0.00 175.26 177.87 1w39 s ILE 3 N -1.69 4.59 -1.48 1.83 -1.09 -1.26 -4.97 121.20 117.14 1w39 s ILE 3 Ca 0.32 1.57 0.18 0.00 -2.23 0.00 0.00 60.65 60.49 1w39 s ILE 3 Cb -0.11 -4.08 0.32 0.00 -1.58 0.00 0.00 42.46 37.01 1w39 s ILE 3 CO 0.25 0.46 1.52 -0.67 -1.23 0.00 0.00 174.94 175.27 1w39 n ASP 4 N 2.12 0.00 -4.91 3.58 2.03 -1.26 -4.77 116.55 113.35 1w39 n ASP 4 Ca -0.05 -0.01 -0.29 0.00 0.52 0.00 0.00 54.79 54.96 1w39 n ASP 4 Cb 0.50 -0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.60 1w39 n ASP 4 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1w39 s LYS 5 N -2.52 3.61 -0.02 -0.67 3.01 -1.26 -3.87 119.74 118.01 1w39 s LYS 5 Ca 0.17 -0.07 0.03 0.00 -1.01 0.00 0.00 55.97 55.09 1w39 s LYS 5 Cb 0.12 -2.70 0.00 0.00 -1.01 0.00 0.00 37.83 34.24 1w39 s LYS 5 CO 0.26 0.28 -0.09 -2.00 0.51 0.00 0.00 175.35 174.31 1w39 s GLU 6 N -3.42 0.95 -0.11 1.68 2.12 -0.18 -4.93 118.70 114.81 1w39 s GLU 6 Ca 0.43 -0.31 -0.02 0.00 0.36 0.00 0.00 54.97 55.43 1w39 s GLU 6 Cb -0.11 -0.89 -0.03 0.00 0.26 0.00 0.00 34.13 33.36 1w39 s GLU 6 CO 0.29 0.12 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.58 1w39 s LEU 7 N 0.15 3.26 -0.51 2.70 1.02 -1.26 -1.78 118.68 122.26 1w39 s LEU 7 Ca -0.02 -0.05 0.04 0.00 0.02 0.00 0.00 54.13 54.12 1w39 s LEU 7 Cb -0.08 -1.75 0.16 0.00 0.02 0.00 0.00 46.19 44.54 1w39 s LEU 7 CO 0.00 0.28 0.37 0.00 0.02 0.00 0.00 176.35 177.02 1w39 s ALA 8 N -0.28 2.33 0.24 4.21 0.00 -1.19 -4.97 121.76 122.11 1w39 s ALA 8 Ca 0.05 -2.92 -0.31 0.00 0.00 0.00 0.00 51.96 48.77 1w39 s ALA 8 Cb -0.13 -1.84 -0.11 0.00 0.00 0.00 0.00 23.12 21.04 1w39 s ALA 8 CO 0.02 -2.04 1.58 -1.25 0.00 0.00 0.00 175.76 174.07 1w39 s PRO 9 N -0.36 4.17 0.03 0.00 0.04 -1.26 -4.61 135.00 133.01 1w39 s PRO 9 Ca 0.27 2.48 -0.27 0.00 0.04 0.00 0.00 61.00 63.52 1w39 s PRO 9 Cb -0.05 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 1w39 s PRO 9 CO -0.14 -0.60 0.85 -1.14 0.04 0.00 0.00 177.00 176.00 1w39 s GLN 10 N 0.11 4.55 0.24 4.56 0.74 -1.26 -5.01 119.66 123.59 1w39 s GLN 10 Ca 0.66 1.20 -0.31 0.00 0.05 0.00 0.00 55.36 56.96 1w39 s GLN 10 Cb -0.46 -3.40 -0.14 0.00 1.10 0.00 0.00 33.01 30.11 1w39 s GLN 10 CO 0.41 0.16 1.22 -0.25 -0.55 0.00 0.00 175.29 176.28 1w39 n ASP 11 N 3.17 1.90 -4.93 6.67 8.00 -1.26 -4.99 116.55 125.11 1w39 n ASP 11 Ca 0.01 1.16 -0.25 0.00 0.71 0.00 0.00 54.79 56.41 1w39 n ASP 11 Cb 0.50 -1.32 0.01 0.00 -0.02 0.00 0.00 41.12 40.29 1w39 n ASP 11 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1w39 s ARG 12 N -0.78 2.24 -0.28 -1.24 1.81 -1.26 -4.66 118.95 114.78 1w39 s ARG 12 Ca 0.67 -1.99 -0.27 0.00 -1.72 0.00 0.00 55.73 52.42 1w39 s ARG 12 Cb -0.73 -2.18 0.18 0.00 -0.45 0.00 0.00 34.95 31.77 1w39 s ARG 12 CO 0.54 -0.70 1.33 -0.08 -0.68 0.00 0.00 175.30 175.71 1w39 s THR 13 N -2.78 0.00 -0.16 0.02 -1.32 -1.26 -5.11 115.64 105.03 1w39 s THR 13 Ca 0.38 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.57 1w39 s THR 13 Cb -0.03 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.91 1w39 s THR 13 CO 0.24 0.00 1.84 0.68 -2.21 0.00 0.00 174.62 175.17 1w39 s VAL 14 N -0.40 3.37 -0.30 5.08 -7.23 -1.26 -4.75 120.40 114.92 1w39 s VAL 14 Ca 0.07 0.42 0.03 0.00 -1.81 0.00 0.00 61.98 60.68 1w39 s VAL 14 Cb -0.03 -3.38 0.16 0.00 0.56 0.00 0.00 36.38 33.69 1w39 s VAL 14 CO -0.11 -0.16 0.43 -0.89 -0.31 0.00 0.00 175.10 174.06 1w39 s THR 15 N 5.79 -0.66 0.55 5.32 2.01 -1.26 -5.13 115.64 122.25 1w39 s THR 15 Ca 0.82 -0.29 -0.17 0.00 0.31 0.00 0.00 61.69 62.36 1w39 s THR 15 Cb -0.31 -0.96 -0.06 0.00 0.01 0.00 0.00 72.50 71.18 1w39 s THR 15 CO 0.33 -0.27 1.03 0.68 -0.69 0.00 0.00 174.62 175.70 1w39 s VAL 16 N 2.51 4.05 0.08 3.82 -7.23 -1.26 -4.52 120.40 117.85 1w39 s VAL 16 Ca 0.10 1.03 0.09 0.00 -1.81 0.00 0.00 61.98 61.39 1w39 s VAL 16 Cb -0.12 -3.50 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 1w39 s VAL 16 CO -0.28 -0.51 -0.22 0.00 -0.31 0.00 0.00 175.10 173.77 1w39 s ALA 17 N -2.42 2.48 0.19 1.32 0.00 -1.26 -5.10 121.76 116.98 1w39 s ALA 17 Ca 0.63 -1.32 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 1w39 s ALA 17 Cb -0.14 -0.56 -0.08 0.00 0.00 0.00 0.00 23.12 22.34 1w39 s ALA 17 CO 0.31 0.56 1.07 0.99 0.00 0.00 0.00 175.76 178.69 1w39 s THR 18 N -0.98 3.89 -0.12 0.00 2.01 -1.26 -5.03 115.64 114.15 1w39 s THR 18 Ca 0.15 1.70 -0.06 0.00 0.31 0.00 0.00 61.69 63.79 1w39 s THR 18 Cb -0.10 -4.08 0.05 0.00 0.01 0.00 0.00 72.50 68.38 1w39 s THR 18 CO 0.06 0.32 0.28 -0.69 -0.69 0.00 0.00 174.62 173.90 1w39 s VAL 19 N -0.48 -0.12 0.15 3.82 1.01 -1.26 -5.03 120.40 118.49 1w39 s VAL 19 Ca 0.47 0.16 -0.31 0.00 0.00 0.00 0.00 61.98 62.31 1w39 s VAL 19 Cb -0.29 -0.44 -0.08 0.00 0.00 0.00 0.00 36.38 35.57 1w39 s VAL 19 CO 0.35 0.07 1.38 -0.76 0.00 0.00 0.00 175.10 176.14 1w39 s LEU 20 N 1.53 4.38 -0.12 3.92 1.43 -1.26 -5.02 118.68 123.55 1w39 s LEU 20 Ca -0.07 2.38 -0.09 0.00 -1.03 0.00 0.00 54.13 55.32 1w39 s LEU 20 Cb -0.10 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1w39 s LEU 20 CO -0.09 -0.63 0.20 -2.16 0.23 0.00 0.00 176.35 173.89 1w39 s PRO 21 N 0.68 3.72 0.44 1.29 0.04 -1.26 -5.06 135.00 134.84 1w39 s PRO 21 Ca 0.62 -0.04 -0.23 0.00 0.04 0.00 0.00 61.00 61.39 1w39 s PRO 21 Cb -0.37 -3.26 -0.10 0.00 0.04 0.00 0.00 34.50 30.81 1w39 s PRO 21 CO 0.33 0.63 0.97 0.00 0.04 0.00 0.00 177.00 178.97 1w39 n ALA 22 N 2.37 0.05 -1.71 8.56 0.00 -1.26 -4.90 120.51 123.61 1w39 n ALA 22 Ca -0.18 0.20 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 1w39 n ALA 22 Cb 0.54 -2.06 0.04 0.00 0.00 0.00 0.00 19.45 17.97 1w39 n ALA 22 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1w39 n VAL 23 N -0.65 3.70 -1.69 0.00 0.24 -1.26 -4.81 118.33 113.87 1w39 n VAL 23 Ca 0.10 -0.50 -0.53 0.00 -2.04 0.00 0.00 64.34 61.37 1w39 n VAL 23 Cb 0.40 -1.54 -0.06 0.00 -1.47 0.00 0.00 33.84 31.17 1w39 n VAL 23 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1w39 n PRO 24 N -0.91 1.62 -3.00 7.34 -0.04 -1.26 -4.84 135.00 133.90 1w39 n PRO 24 Ca 0.11 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1w39 n PRO 24 Cb 0.44 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1w39 n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1w39 n GLY 25 N 4.07 -1.23 3.67 0.55 0.00 -1.26 -5.13 105.19 105.86 1w39 n GLY 25 Ca 0.24 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 1w39 n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1w39 s PRO 26 N -0.13 4.29 0.30 1.61 0.04 -1.26 -4.98 135.00 134.87 1w39 s PRO 26 Ca 0.00 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 1w39 s PRO 26 Cb 0.00 -3.66 -0.13 0.00 0.04 0.00 0.00 34.50 30.75 1w39 s PRO 26 CO 0.00 -0.57 1.28 0.43 0.04 0.00 0.00 177.00 178.18 1w39 n SER 27 N 5.87 2.53 -4.96 6.66 7.64 -1.26 -4.98 113.62 125.12 1w39 n SER 27 Ca 0.12 1.18 -0.23 0.00 1.01 0.00 0.00 58.87 60.96 1w39 n SER 27 Cb 0.45 -1.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.20 1w39 n SER 27 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1w39 s PRO 28 N -1.39 3.46 1.04 1.43 0.04 -1.26 -5.10 135.00 133.23 1w39 s PRO 28 Ca 0.60 -0.59 -0.13 0.00 0.04 0.00 0.00 61.00 60.92 1w39 s PRO 28 Cb -0.61 -2.82 0.21 0.00 0.04 0.00 0.00 34.50 31.32 1w39 s PRO 28 CO 0.58 0.35 1.09 -0.51 0.04 0.00 0.00 177.00 178.55 1w39 s LEU 29 N -3.98 1.38 -0.27 -3.56 1.02 -1.26 -4.97 118.68 107.03 1w39 s LEU 29 Ca 0.36 1.10 -0.21 0.00 0.02 0.00 0.00 54.13 55.40 1w39 s LEU 29 Cb -0.09 -3.19 0.08 0.00 0.02 0.00 0.00 46.19 43.00 1w39 s LEU 29 CO 0.31 -3.37 0.72 0.28 0.02 0.00 0.00 176.35 174.31 1w39 s THR 30 N -2.95 0.00 0.48 5.49 -1.32 -1.26 -4.35 115.64 111.72 1w39 s THR 30 Ca 0.66 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.21 1w39 s THR 30 Cb -0.18 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.82 1w39 s THR 30 CO 0.58 0.00 0.42 0.27 -2.21 0.00 0.00 174.62 173.68 1w39 s ILE 31 N 0.94 2.25 -0.02 5.08 -5.25 -1.04 -4.97 121.20 118.18 1w39 s ILE 31 Ca -0.04 -1.38 0.02 0.00 -0.99 0.00 0.00 60.65 58.26 1w39 s ILE 31 Cb -0.05 -2.62 0.00 0.00 2.95 0.00 0.00 42.46 42.74 1w39 s ILE 31 CO -0.08 0.00 -0.07 -0.54 -1.79 0.00 0.00 174.94 172.45 1w39 s LYS 32 N -4.23 0.75 -0.14 0.37 1.02 -1.26 -2.13 119.74 114.13 1w39 s LYS 32 Ca 0.44 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.20 1w39 s LYS 32 Cb -0.03 -0.72 0.02 0.00 -0.52 0.00 0.00 37.83 36.58 1w39 s LYS 32 CO 0.26 0.09 -0.12 -1.14 -0.92 0.00 0.00 175.35 173.53 1w39 s GLN 33 N 0.16 2.10 0.70 1.68 2.00 -0.42 -4.90 119.66 120.99 1w39 s GLN 33 Ca -0.02 -0.51 -0.11 0.00 -2.00 0.00 0.00 55.36 52.72 1w39 s GLN 33 Cb -0.07 -2.01 0.01 0.00 0.80 0.00 0.00 33.01 31.74 1w39 s GLN 33 CO 0.00 -0.26 1.09 -1.25 -0.50 0.00 0.00 175.29 174.37 1w39 s PRO 34 N 1.53 2.91 -0.20 1.67 0.04 -1.26 0.43 135.00 140.13 1w39 s PRO 34 Ca 0.05 0.48 -0.28 0.00 0.04 0.00 0.00 61.00 61.28 1w39 s PRO 34 Cb -0.13 -2.03 0.12 0.00 0.04 0.00 0.00 34.50 32.51 1w39 s PRO 34 CO -0.10 -1.00 1.00 -0.59 0.04 0.00 0.00 177.00 176.35 1w39 s PHE 35 N -3.34 -0.41 -0.07 0.56 -0.12 0.93 -4.88 117.98 110.64 1w39 s PHE 35 Ca 0.58 0.83 -0.03 0.00 -0.05 0.00 0.00 56.93 58.26 1w39 s PHE 35 Cb -0.11 0.42 0.04 0.00 -0.63 0.00 0.00 43.02 42.74 1w39 s PHE 35 CO 0.52 -0.31 0.07 -1.14 -0.05 0.00 0.00 175.22 174.31 1w39 s GLN 36 N -0.65 -0.05 0.18 1.99 0.74 -1.26 -0.93 119.66 119.68 1w39 s GLN 36 Ca -0.00 0.29 0.11 0.00 0.05 0.00 0.00 55.36 55.81 1w39 s GLN 36 Cb -0.02 -0.77 -0.04 0.00 1.10 0.00 0.00 33.01 33.28 1w39 s GLN 36 CO -0.01 -0.40 -0.24 -1.54 -0.55 0.00 0.00 175.29 172.55 1w39 s SER 37 N 2.17 3.42 0.22 6.67 1.04 0.79 -4.93 113.70 123.08 1w39 s SER 37 Ca 0.04 -0.83 -0.30 0.00 0.48 0.00 0.00 55.95 55.34 1w39 s SER 37 Cb -0.13 -0.26 -0.08 0.00 0.10 0.00 0.00 66.02 65.65 1w39 s SER 37 CO -0.04 0.13 0.99 -1.61 0.98 0.00 0.00 173.24 173.69 1w39 s GLU 38 N -2.53 4.77 -0.13 4.02 2.02 -1.26 -0.16 118.70 125.43 1w39 s GLU 38 Ca 0.19 1.56 -0.05 0.00 0.02 0.00 0.00 54.97 56.69 1w39 s GLU 38 Cb -0.08 -3.28 -0.06 0.00 0.10 0.00 0.00 34.13 30.80 1w39 s GLU 38 CO 0.09 0.37 -0.16 0.28 0.02 0.00 0.00 175.26 175.86 1w39 n VAL 39 N 1.76 0.72 -3.96 2.63 0.31 0.41 -4.85 118.33 115.36 1w39 n VAL 39 Ca -0.01 -0.20 -0.10 0.00 -0.01 0.00 0.00 64.34 64.03 1w39 n VAL 39 Cb 0.47 -1.56 -0.07 0.00 -0.91 0.00 0.00 33.84 31.77 1w39 n VAL 39 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1w39 s LEU 40 N -6.55 0.91 -0.27 7.52 2.96 -0.70 -5.00 118.68 117.55 1w39 s LEU 40 Ca -0.18 -0.87 0.22 0.00 -0.22 0.00 0.00 54.13 53.08 1w39 s LEU 40 Cb 0.07 1.23 0.50 0.00 0.50 0.00 0.00 46.19 48.49 1w39 s LEU 40 CO 0.24 -0.91 1.09 0.49 -1.32 0.00 0.00 176.35 175.94 1w39 n PHE 41 N -0.23 1.20 -0.58 5.38 3.72 -1.26 -1.49 117.46 124.20 1w39 n PHE 41 Ca -0.07 -2.24 -0.16 0.00 -0.05 0.00 0.00 57.45 54.94 1w39 n PHE 41 Cb 0.63 -0.23 0.14 0.00 -0.94 0.00 0.00 39.48 39.07 1w39 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1w39 n ALA 42 N -0.52 -2.08 0.00 4.37 0.00 -1.23 -4.65 120.51 116.40 1w39 n ALA 42 Ca 0.07 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1w39 n ALA 42 Cb 0.80 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.19 1w39 n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w39 n GLY 43 N -1.83 3.48 0.12 0.00 0.00 -1.26 -1.25 105.19 104.45 1w39 n GLY 43 Ca 0.08 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 1w39 n GLY 43 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1w39 h THR 44 N 0.00 0.99 -4.29 2.61 1.35 -1.86 -3.36 112.91 108.36 1w39 h THR 44 Ca 0.00 -2.36 -0.53 0.00 -0.55 0.00 0.00 66.41 62.97 1w39 h THR 44 Cb 0.00 2.64 -0.29 0.00 -1.73 0.00 0.00 68.15 68.77 1w39 h THR 44 CO 0.00 0.67 -0.83 -1.59 -0.25 0.00 0.00 175.52 173.52 1w39 s LYS 45 N -2.46 1.34 0.13 4.72 -2.85 -1.26 -4.64 119.74 114.72 1w39 s LYS 45 Ca -0.21 -0.60 -0.34 0.00 -1.00 0.00 0.00 55.97 53.82 1w39 s LYS 45 Cb 0.05 -1.30 -0.14 0.00 -2.06 0.00 0.00 37.83 34.38 1w39 s LYS 45 CO 0.74 0.36 1.61 -0.25 0.10 0.00 0.00 175.35 177.91 1w39 n ASP 46 N 2.66 3.12 -3.54 0.03 9.92 -1.26 -4.61 116.55 122.86 1w39 n ASP 46 Ca -0.15 1.07 -0.17 0.00 -0.53 0.00 0.00 54.79 55.02 1w39 n ASP 46 Cb 0.54 -1.42 -0.06 0.00 -0.64 0.00 0.00 41.12 39.55 1w39 n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1w39 s ALA 47 N 1.32 -1.79 0.44 2.24 0.00 -0.93 -4.96 121.76 118.08 1w39 s ALA 47 Ca 0.81 1.46 0.07 0.00 0.00 0.00 0.00 51.96 54.29 1w39 s ALA 47 Cb -0.68 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1w39 s ALA 47 CO 0.40 -0.36 0.20 -1.83 0.00 0.00 0.00 175.76 174.17 1w39 s GLU 48 N -0.92 2.24 -0.25 0.00 -1.05 -1.26 0.03 118.70 117.48 1w39 s GLU 48 Ca -0.08 -1.91 -0.14 0.00 -0.15 0.00 0.00 54.97 52.69 1w39 s GLU 48 Cb -0.01 -1.97 0.07 0.00 -0.44 0.00 0.00 34.13 31.78 1w39 s GLU 48 CO 0.08 -0.21 0.60 0.00 0.95 0.00 0.00 175.26 176.68 1w39 s ALA 49 N -2.64 -1.62 -0.40 -0.84 0.00 0.57 -4.94 121.76 111.88 1w39 s ALA 49 Ca 0.37 2.14 0.02 0.00 0.00 0.00 0.00 51.96 54.49 1w39 s ALA 49 Cb 0.03 -1.27 0.15 0.00 0.00 0.00 0.00 23.12 22.02 1w39 s ALA 49 CO 0.21 -0.34 0.25 0.45 0.00 0.00 0.00 175.76 176.33 1w39 s SER 50 N 1.54 2.93 0.11 0.00 0.15 -1.26 0.17 113.70 117.34 1w39 s SER 50 Ca -0.10 -2.53 0.06 0.00 0.70 0.00 0.00 55.95 54.08 1w39 s SER 50 Cb -0.06 -0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 63.59 1w39 s SER 50 CO -0.17 -0.26 -0.03 -1.48 1.20 0.00 0.00 173.24 172.49 1w39 s LEU 51 N 0.59 3.31 -0.51 3.45 2.34 -0.13 -4.90 118.68 122.82 1w39 s LEU 51 Ca 0.21 -0.28 -0.17 0.00 0.06 0.00 0.00 54.13 53.95 1w39 s LEU 51 Cb -0.18 -2.05 0.09 0.00 -0.56 0.00 0.00 46.19 43.49 1w39 s LEU 51 CO -0.04 0.16 0.52 -0.89 -1.06 0.00 0.00 176.35 175.05 1w39 s THR 52 N -1.35 5.08 0.57 5.48 2.01 -1.26 0.16 115.64 126.34 1w39 s THR 52 Ca 0.25 -1.00 0.39 0.00 0.31 0.00 0.00 61.69 61.63 1w39 s THR 52 Cb -0.11 -4.27 0.58 0.00 0.01 0.00 0.00 72.50 68.70 1w39 s THR 52 CO 0.17 -0.78 1.56 0.40 -0.69 0.00 0.00 174.62 175.28 1w39 h ILE 53 N 5.84 0.11 -0.13 1.82 1.08 -1.66 0.64 117.51 125.21 1w39 h ILE 53 Ca -0.29 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.22 1w39 h ILE 53 Cb 1.10 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 1w39 h ILE 53 CO 0.97 0.00 0.11 0.00 -0.69 0.00 0.00 178.15 178.53 1w39 h ALA 54 N 0.98 2.00 -0.10 1.87 0.00 -1.91 -3.08 119.26 119.02 1w39 h ALA 54 Ca 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1w39 h ALA 54 Cb 3.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.84 1w39 h ALA 54 CO -0.01 -0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.16 1w39 n ASN 55 N -4.30 2.85 -4.75 0.00 5.03 0.22 -4.74 115.26 109.58 1w39 n ASN 55 Ca 0.00 -2.94 -0.41 0.00 0.87 0.00 0.00 54.58 52.09 1w39 n ASN 55 Cb 0.23 -0.43 -0.02 0.00 -1.02 0.00 0.00 39.78 38.54 1w39 n ASN 55 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1w39 s ILE 56 N -2.65 2.24 0.46 2.41 1.01 -1.16 -4.73 121.20 118.77 1w39 s ILE 56 Ca 0.33 0.21 0.23 0.00 0.00 0.00 0.00 60.65 61.42 1w39 s ILE 56 Cb 0.27 -3.13 0.43 0.00 0.01 0.00 0.00 42.46 40.04 1w39 s ILE 56 CO 0.05 0.04 1.85 -0.78 0.00 0.00 0.00 174.94 176.09 1w39 h ASP 57 N 4.63 0.26 -0.15 3.58 3.58 -1.95 0.21 116.42 126.58 1w39 h ASP 57 Ca -0.47 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1w39 h ASP 57 Cb 1.22 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 1w39 h ASP 57 CO 0.77 0.09 0.10 0.28 -2.88 0.00 0.00 179.24 177.59 1w39 h SER 58 N 0.25 0.17 0.12 2.28 0.02 -1.98 0.29 113.55 114.70 1w39 h SER 58 Ca 0.49 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.43 1w39 h SER 58 Cb 1.47 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1w39 h SER 58 CO -0.14 0.12 -0.06 0.58 -1.14 0.00 0.00 176.83 176.20 1w39 h VAL 59 N 0.20 1.01 -0.73 2.27 2.07 -1.08 -2.29 116.25 117.70 1w39 h VAL 59 Ca 0.05 -0.50 0.13 0.00 0.82 0.00 0.00 66.70 67.21 1w39 h VAL 59 Cb -0.02 1.32 -0.13 0.00 -1.52 0.00 0.00 31.29 30.94 1w39 h VAL 59 CO -0.01 0.12 -0.32 0.28 0.02 0.00 0.00 177.57 177.66 1w39 h SER 60 N -0.39 -1.13 -0.69 0.57 0.02 -0.42 -0.61 113.55 110.90 1w39 h SER 60 Ca -0.02 0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1w39 h SER 60 Cb 0.32 0.60 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 1w39 h SER 60 CO 0.03 -0.29 0.38 0.74 -1.14 0.00 0.00 176.83 176.55 1w39 h THR 61 N -0.09 1.21 0.05 -2.27 2.02 -0.31 -3.04 112.91 110.49 1w39 h THR 61 Ca 0.29 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 1w39 h THR 61 Cb 0.57 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1w39 h THR 61 CO -0.78 0.24 -0.03 -0.07 0.37 0.00 0.00 175.52 175.25 1w39 h LEU 62 N 0.99 -0.06 0.00 2.58 3.38 -0.56 -3.27 115.31 118.37 1w39 h LEU 62 Ca 0.25 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1w39 h LEU 62 Cb 0.03 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1w39 h LEU 62 CO -0.04 0.66 0.00 0.35 0.09 0.00 0.00 178.44 179.50 1w39 n THR 63 N -4.77 0.30 -0.25 0.22 -2.24 -0.63 -4.15 114.28 102.77 1w39 n THR 63 Ca -0.07 0.07 0.16 0.00 -2.27 0.00 0.00 64.05 61.94 1w39 n THR 63 Cb 0.30 -0.93 0.31 0.00 -2.10 0.00 0.00 70.33 67.91 1w39 n THR 63 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1w39 n THR 64 N -1.10 -0.31 -1.03 4.28 -1.04 -1.15 -1.28 114.28 112.66 1w39 n THR 64 Ca 0.06 1.56 0.08 0.00 -2.04 0.00 0.00 64.05 63.71 1w39 n THR 64 Cb 0.05 -2.39 0.25 0.00 -1.82 0.00 0.00 70.33 66.42 1w39 n THR 64 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1w39 n PHE 65 N -4.86 0.95 -4.63 -1.42 3.72 -1.26 -4.95 117.46 105.02 1w39 n PHE 65 Ca 0.22 -0.93 -0.24 0.00 -0.05 0.00 0.00 57.45 56.44 1w39 n PHE 65 Cb 0.73 -0.33 -0.14 0.00 -0.94 0.00 0.00 39.48 38.80 1w39 n PHE 65 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1w39 s TYR 66 N -2.86 1.67 -2.33 1.38 2.02 -0.40 -1.64 117.35 115.19 1w39 s TYR 66 Ca 0.42 -0.36 0.26 0.00 -0.37 0.00 0.00 57.07 57.02 1w39 s TYR 66 Cb 0.35 -1.01 0.62 0.00 -0.40 0.00 0.00 41.96 41.52 1w39 s TYR 66 CO 0.08 0.06 1.49 2.89 -1.57 0.00 0.00 175.55 178.50 1w39 n ARG 67 N 2.00 1.50 -3.88 -0.62 1.85 0.64 -4.78 116.66 113.37 1w39 n ARG 67 Ca -0.17 -1.04 -0.16 0.00 -1.00 0.00 0.00 57.85 55.48 1w39 n ARG 67 Cb 0.54 -1.48 -0.16 0.00 -1.05 0.00 0.00 32.46 30.31 1w39 n ARG 67 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1w39 s HIS 68 N -2.21 0.23 -0.24 2.89 3.76 -1.06 -4.02 115.29 114.62 1w39 s HIS 68 Ca 0.29 0.04 -0.16 0.00 -0.15 0.00 0.00 55.06 55.08 1w39 s HIS 68 Cb 0.20 -0.36 0.07 0.00 1.11 0.00 0.00 32.58 33.60 1w39 s HIS 68 CO 0.42 -0.12 0.61 0.00 -0.85 0.00 0.00 174.74 174.80 1w39 s ALA 69 N 1.04 -1.60 0.21 -1.40 0.00 0.84 -1.24 121.76 119.61 1w39 s ALA 69 Ca -0.10 2.05 0.09 0.00 0.00 0.00 0.00 51.96 54.00 1w39 s ALA 69 Cb -0.13 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 1w39 s ALA 69 CO -0.02 -0.33 -0.16 -1.12 0.00 0.00 0.00 175.76 174.12 1w39 s SER 70 N 1.27 2.80 -0.38 0.00 0.01 -0.20 -0.83 113.70 116.37 1w39 s SER 70 Ca -0.08 -0.99 -0.24 0.00 1.31 0.00 0.00 55.95 55.95 1w39 s SER 70 Cb -0.06 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.01 1w39 s SER 70 CO -0.13 -0.10 0.84 -0.76 0.41 0.00 0.00 173.24 173.49 1w39 s LEU 71 N -3.23 4.09 -0.05 2.44 1.43 0.23 -1.37 118.68 122.22 1w39 s LEU 71 Ca 0.23 0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.56 1w39 s LEU 71 Cb -0.03 -3.10 -0.07 0.00 0.03 0.00 0.00 46.19 43.02 1w39 s LEU 71 CO 0.08 -0.81 0.54 -0.08 0.23 0.00 0.00 176.35 176.31 1w39 h GLU 72 N 8.57 -0.44 -4.88 1.70 4.57 -1.07 -3.47 114.58 119.56 1w39 h GLU 72 Ca -0.24 0.03 -0.35 0.00 -1.18 0.00 0.00 59.36 57.62 1w39 h GLU 72 Cb 1.09 0.10 -0.23 0.00 -0.16 0.00 0.00 28.75 29.55 1w39 h GLU 72 CO 0.95 -0.29 -0.76 -1.54 -1.18 0.00 0.00 179.01 176.19 1w39 s SER 73 N -5.03 1.19 -0.10 1.04 1.04 -1.21 -4.94 113.70 105.69 1w39 s SER 73 Ca -0.07 -0.50 -0.14 0.00 0.48 0.00 0.00 55.95 55.71 1w39 s SER 73 Cb 0.01 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.14 1w39 s SER 73 CO 0.21 -0.10 0.37 -0.22 0.98 0.00 0.00 173.24 174.48 1w39 s LEU 74 N -1.40 0.58 -0.25 2.42 2.96 -1.26 -1.57 118.68 120.17 1w39 s LEU 74 Ca -0.05 0.58 -0.31 0.00 -0.22 0.00 0.00 54.13 54.13 1w39 s LEU 74 Cb -0.09 1.35 0.17 0.00 0.50 0.00 0.00 46.19 48.12 1w39 s LEU 74 CO 0.01 -0.24 1.28 -1.66 -1.32 0.00 0.00 176.35 174.43 1w39 s TRP 75 N -0.27 -0.10 0.05 5.38 -2.14 0.25 -1.16 118.94 120.95 1w39 s TRP 75 Ca -0.04 0.15 -0.04 0.00 2.66 0.00 0.00 56.10 58.83 1w39 s TRP 75 Cb -0.03 0.49 -0.05 0.00 -3.10 0.00 0.00 33.47 30.78 1w39 s TRP 75 CO 0.02 -0.11 0.26 0.14 -2.66 0.00 0.00 176.95 174.60 1w39 s VAL 76 N -1.35 5.32 -0.01 -0.66 -7.23 -0.52 -0.82 120.40 115.12 1w39 s VAL 76 Ca 0.08 -0.07 0.03 0.00 -1.81 0.00 0.00 61.98 60.20 1w39 s VAL 76 Cb -0.01 -3.59 -0.00 0.00 0.56 0.00 0.00 36.38 33.33 1w39 s VAL 76 CO -0.05 0.22 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.98 1w39 s THR 77 N -1.44 0.72 -0.27 5.32 2.01 -0.40 -0.39 115.64 121.19 1w39 s THR 77 Ca 0.33 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 1w39 s THR 77 Cb -0.13 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 71.80 1w39 s THR 77 CO 0.22 0.21 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.68 1w39 s ILE 78 N -0.09 2.81 -0.39 1.82 1.01 -0.58 -2.24 121.20 123.54 1w39 s ILE 78 Ca 0.02 -1.22 -0.11 0.00 0.00 0.00 0.00 60.65 59.34 1w39 s ILE 78 Cb -0.05 -2.51 0.04 0.00 0.01 0.00 0.00 42.46 39.94 1w39 s ILE 78 CO -0.00 0.08 0.23 -1.00 0.00 0.00 0.00 174.94 174.24 1w39 s HIS 79 N 1.27 3.26 0.27 3.97 3.76 -0.20 -1.72 115.29 125.90 1w39 s HIS 79 Ca -0.03 -1.02 -0.29 0.00 -0.15 0.00 0.00 55.06 53.57 1w39 s HIS 79 Cb -0.18 -2.54 -0.10 0.00 1.11 0.00 0.00 32.58 30.88 1w39 s HIS 79 CO -0.04 -0.68 1.31 -2.14 -0.85 0.00 0.00 174.74 172.35 1w39 s PRO 80 N 1.55 4.38 0.00 8.40 0.02 -1.26 -1.22 135.00 146.86 1w39 s PRO 80 Ca 0.02 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.18 1w39 s PRO 80 Cb -0.20 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.19 1w39 s PRO 80 CO 0.06 -0.21 0.00 0.25 -0.33 0.00 0.00 177.00 176.77 1w39 n THR 81 N 1.74 0.00 1.09 0.99 -2.24 0.25 -4.92 114.28 111.19 1w39 n THR 81 Ca 0.03 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.88 1w39 n THR 81 Cb 0.42 -1.17 0.41 0.00 -2.10 0.00 0.00 70.33 67.89 1w39 n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1w39 n LEU 82 N 0.00 0.00 -0.11 3.22 -0.00 -1.26 -2.28 117.00 116.57 1w39 n LEU 82 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 1w39 n LEU 82 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 1w39 n LEU 82 CO 0.00 0.00 -1.21 1.67 -0.00 0.00 0.00 177.39 177.85 1w39 n GLN 83 N -0.90 0.69 -0.35 1.47 -0.06 -1.26 -4.48 117.38 112.50 1w39 n GLN 83 Ca 0.10 0.04 0.28 0.00 -2.00 0.00 0.00 57.00 55.42 1w39 n GLN 83 Cb 0.05 -1.52 0.53 0.00 -4.06 0.00 0.00 30.24 25.24 1w39 n GLN 83 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1w39 h ALA 84 N 0.67 2.16 0.47 1.69 0.00 -1.48 -0.27 119.26 122.50 1w39 h ALA 84 Ca -0.55 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1w39 h ALA 84 Cb 2.13 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 20.11 1w39 h ALA 84 CO -0.01 -0.80 -0.27 -1.35 0.00 0.00 0.00 179.25 176.82 1w39 h PRO 85 N 0.22 -0.67 0.00 0.00 0.11 -1.79 -2.33 132.00 127.54 1w39 h PRO 85 Ca 0.77 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.92 1w39 h PRO 85 Cb 1.95 0.15 0.00 0.00 0.11 0.00 0.00 31.00 33.21 1w39 h PRO 85 CO -0.59 -0.45 0.00 0.00 -0.21 0.00 0.00 178.00 176.75 1w39 h THR 86 N -0.70 0.00 -2.56 -1.15 1.03 -1.59 -3.13 112.91 104.82 1w39 h THR 86 Ca -0.06 -0.50 -0.60 0.00 -0.01 0.00 0.00 66.41 65.25 1w39 h THR 86 Cb 0.56 1.48 -0.40 0.00 -1.07 0.00 0.00 68.15 68.72 1w39 h THR 86 CO 0.07 0.00 -0.77 0.49 -0.01 0.00 0.00 175.52 175.30 1w39 n PHE 87 N -2.32 1.57 -1.67 0.00 3.72 -0.20 -4.99 117.46 113.57 1w39 n PHE 87 Ca 0.05 -3.88 -0.44 0.00 -0.05 0.00 0.00 57.45 53.13 1w39 n PHE 87 Cb 0.43 -0.31 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 1w39 n PHE 87 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1w39 n PRO 88 N 1.94 2.03 -3.96 -1.08 -0.02 -1.23 -4.60 135.00 128.08 1w39 n PRO 88 Ca 0.25 0.72 -0.09 0.00 -2.02 0.00 0.00 63.50 62.35 1w39 n PRO 88 Cb 0.42 -2.34 -0.11 0.00 -0.02 0.00 0.00 33.50 31.45 1w39 n PRO 88 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1w39 s THR 89 N -0.36 0.10 0.16 3.45 -1.32 -0.83 -4.50 115.64 112.33 1w39 s THR 89 Ca 0.64 -0.80 -0.23 0.00 -1.21 0.00 0.00 61.69 60.09 1w39 s THR 89 Cb -0.63 -0.24 -0.08 0.00 -1.51 0.00 0.00 72.50 70.04 1w39 s THR 89 CO 0.53 -0.44 0.72 -0.89 -2.21 0.00 0.00 174.62 172.33 1w39 s THR 90 N -1.30 4.49 -0.01 5.08 2.01 -0.92 -1.55 115.64 123.44 1w39 s THR 90 Ca -0.14 1.52 0.01 0.00 0.31 0.00 0.00 61.69 63.39 1w39 s THR 90 Cb -0.09 -4.03 0.01 0.00 0.01 0.00 0.00 72.50 68.40 1w39 s THR 90 CO -0.01 0.47 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.66 1w39 s VAL 91 N -1.22 0.33 -0.08 3.82 1.01 0.11 -1.18 120.40 123.21 1w39 s VAL 91 Ca 0.36 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.26 1w39 s VAL 91 Cb -0.21 -0.32 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 1w39 s VAL 91 CO 0.24 0.12 -0.23 -0.83 0.00 0.00 0.00 175.10 174.40 1w39 s GLY 92 N 0.23 1.24 0.01 4.51 0.00 0.64 0.27 107.32 114.22 1w39 s GLY 92 Ca -0.02 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 43.80 1w39 s GLY 92 CO -0.00 -0.43 -0.11 0.14 0.00 0.00 0.00 173.10 172.70 1w39 s VAL 93 N 0.14 0.87 -0.30 1.40 1.01 -0.48 -1.81 120.40 121.23 1w39 s VAL 93 Ca -0.11 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 1w39 s VAL 93 Cb -0.16 -0.76 0.14 0.00 0.00 0.00 0.00 36.38 35.61 1w39 s VAL 93 CO 0.06 0.13 0.83 0.00 0.00 0.00 0.00 175.10 176.12 1w39 s TRP 95 N 2.44 3.53 -0.04 0.00 0.52 -1.26 -1.68 118.94 122.44 1w39 s TRP 95 Ca -0.05 1.13 -0.06 0.00 0.02 0.00 0.00 56.10 57.13 1w39 s TRP 95 Cb -0.08 -2.76 0.01 0.00 -1.15 0.00 0.00 33.47 29.49 1w39 s TRP 95 CO -0.18 0.05 0.16 0.08 0.02 0.00 0.00 176.95 177.08 1w39 s VAL 96 N 1.00 0.03 0.24 4.03 1.01 -0.68 -4.88 120.40 121.14 1w39 s VAL 96 Ca 0.34 -0.21 -0.31 0.00 0.00 0.00 0.00 61.98 61.79 1w39 s VAL 96 Cb -0.17 -0.30 -0.12 0.00 0.00 0.00 0.00 36.38 35.79 1w39 s VAL 96 CO 0.15 -0.12 1.66 -0.81 0.00 0.00 0.00 175.10 175.99 1w39 n PRO 97 N 2.52 2.69 0.24 2.72 -0.04 -1.26 -1.61 135.00 140.26 1w39 n PRO 97 Ca -0.16 0.97 0.07 0.00 -0.04 0.00 0.00 63.50 64.34 1w39 n PRO 97 Cb 0.58 -2.78 0.19 0.00 -0.04 0.00 0.00 33.50 31.44 1w39 n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1w39 h ALA 98 N 5.94 2.08 -0.58 0.55 0.00 0.23 0.35 119.26 127.83 1w39 h ALA 98 Ca -0.45 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.22 1w39 h ALA 98 Cb 1.22 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 1w39 h ALA 98 CO 0.89 -1.03 0.30 0.00 0.00 0.00 0.00 179.25 179.41 1w39 n GLN 99 N -2.69 2.39 -4.72 0.00 10.64 -1.01 -4.87 117.38 117.11 1w39 n GLN 99 Ca 0.04 -2.03 -0.33 0.00 -1.83 0.00 0.00 57.00 52.84 1w39 n GLN 99 Cb 1.00 -1.86 -0.14 0.00 -0.86 0.00 0.00 30.24 28.38 1w39 n GLN 99 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1w39 s SER 100 N -0.52 4.15 0.00 2.61 0.15 0.12 -5.01 113.70 115.20 1w39 s SER 100 Ca 0.37 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1w39 s SER 100 Cb 0.31 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 1w39 s SER 100 CO 0.08 0.17 0.28 -0.81 1.20 0.00 0.00 173.24 174.16 1w39 n PRO 101 N 3.48 0.42 -3.16 5.44 -0.04 -1.26 -4.87 135.00 135.00 1w39 n PRO 101 Ca -0.18 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.96 1w39 n PRO 101 Cb 0.53 -1.14 -0.05 0.00 -0.04 0.00 0.00 33.50 32.79 1w39 n PRO 101 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1w39 s VAL 102 N -1.33 4.76 0.15 0.52 -7.23 -1.26 -5.09 120.40 110.92 1w39 s VAL 102 Ca 0.00 0.77 0.10 0.00 -1.81 0.00 0.00 61.98 61.03 1w39 s VAL 102 Cb 0.00 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 1w39 s VAL 102 CO 0.00 -0.22 -0.18 0.28 -0.31 0.00 0.00 175.10 174.68 1w39 s THR 103 N -2.01 2.79 0.60 5.32 -1.32 -1.26 -5.03 115.64 114.73 1w39 s THR 103 Ca 0.52 -1.66 0.27 0.00 -1.21 0.00 0.00 61.69 59.62 1w39 s THR 103 Cb -0.10 -2.31 0.37 0.00 -1.51 0.00 0.00 72.50 68.95 1w39 s THR 103 CO 0.21 0.01 1.60 -0.65 -2.21 0.00 0.00 174.62 173.58 1w39 h PRO 104 N 3.46 0.00 0.00 7.08 0.11 -1.89 0.82 132.00 141.57 1w39 h PRO 104 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1w39 h PRO 104 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1w39 h PRO 104 CO 0.48 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.27 1w39 n ALA 105 N -2.26 2.40 -0.20 -0.75 0.00 -1.26 -2.94 120.51 115.50 1w39 n ALA 105 Ca 0.15 -0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.53 1w39 n ALA 105 Cb 1.06 -1.46 0.20 0.00 0.00 0.00 0.00 19.45 19.25 1w39 n ALA 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1w39 n GLN 106 N -1.28 2.77 -0.24 0.00 6.02 0.28 -4.71 117.38 120.23 1w39 n GLN 106 Ca 0.13 -2.19 -0.10 0.00 -0.01 0.00 0.00 57.00 54.83 1w39 n GLN 106 Cb 0.22 -1.35 -0.06 0.00 1.02 0.00 0.00 30.24 30.08 1w39 n GLN 106 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1w39 h ILE 107 N 2.66 0.04 0.00 5.09 1.08 -1.60 0.58 117.51 125.36 1w39 h ILE 107 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1w39 h ILE 107 Cb 0.80 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1w39 h ILE 107 CO 0.00 0.00 0.00 0.35 -0.69 0.00 0.00 178.15 177.81 1w39 n THR 108 N -5.38 0.30 0.60 -0.27 -2.24 -1.26 -1.36 114.28 104.68 1w39 n THR 108 Ca 0.01 0.08 0.07 0.00 -2.27 0.00 0.00 64.05 61.93 1w39 n THR 108 Cb 0.34 -0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 67.66 1w39 n THR 108 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1w39 n LYS 109 N -1.12 2.08 -3.82 -0.78 5.02 0.19 -4.95 118.16 114.77 1w39 n LYS 109 Ca 0.08 -0.54 -0.37 0.00 -2.02 0.00 0.00 58.31 55.46 1w39 n LYS 109 Cb 0.06 -1.17 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 1w39 n LYS 109 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1w39 s THR 110 N -1.81 5.44 0.17 -0.18 2.01 -0.39 -5.02 115.64 115.85 1w39 s THR 110 Ca 0.10 0.30 -0.23 0.00 0.31 0.00 0.00 61.69 62.16 1w39 s THR 110 Cb 0.11 -3.45 0.04 0.00 0.01 0.00 0.00 72.50 69.21 1w39 s THR 110 CO 0.39 0.61 1.39 0.00 -0.69 0.00 0.00 174.62 176.32 1w39 n TYR 111 N 1.96 -0.24 -0.07 4.92 9.36 -1.26 -1.75 117.16 130.09 1w39 n TYR 111 Ca -0.19 1.12 -0.14 0.00 3.32 0.00 0.00 57.90 62.01 1w39 n TYR 111 Cb 0.55 -0.67 -0.06 0.00 -0.63 0.00 0.00 39.34 38.53 1w39 n TYR 111 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1w39 h GLY 112 N 0.00 0.68 0.00 2.98 0.00 -1.88 -3.46 103.07 101.39 1w39 h GLY 112 Ca 0.21 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1w39 h GLY 112 CO -0.86 0.69 0.00 0.61 0.00 0.00 0.00 176.54 176.98 1w39 n GLY 113 N 0.34 0.00 3.27 4.60 0.00 -0.72 -4.59 105.19 108.09 1w39 n GLY 113 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 1w39 n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w39 s GLN 114 N 0.00 1.10 -0.08 1.61 -0.21 -0.41 -4.73 119.66 116.94 1w39 s GLN 114 Ca 0.00 -1.28 0.02 0.00 0.02 0.00 0.00 55.36 54.11 1w39 s GLN 114 Cb 0.00 -1.05 0.02 0.00 1.00 0.00 0.00 33.01 32.97 1w39 s GLN 114 CO 0.00 0.21 -0.12 0.42 -2.12 0.00 0.00 175.29 173.68 1w39 s ILE 115 N -2.06 1.19 0.20 1.08 -1.09 -1.26 -1.39 121.20 117.88 1w39 s ILE 115 Ca 0.11 -0.48 0.11 0.00 -2.23 0.00 0.00 60.65 58.16 1w39 s ILE 115 Cb -0.05 -1.11 -0.04 0.00 -1.58 0.00 0.00 42.46 39.67 1w39 s ILE 115 CO 0.04 0.38 -0.20 -0.36 -1.23 0.00 0.00 174.94 173.57 1w39 s PHE 116 N 0.92 2.39 -0.75 3.97 0.08 0.77 -4.91 117.98 120.44 1w39 s PHE 116 Ca -0.09 -0.32 0.03 0.00 0.12 0.00 0.00 56.93 56.67 1w39 s PHE 116 Cb -0.15 -1.16 0.29 0.00 -0.57 0.00 0.00 43.02 41.43 1w39 s PHE 116 CO 0.00 0.53 1.07 0.00 -0.10 0.00 0.00 175.22 176.72 1w39 n ILE 118 N 0.55 0.19 0.00 0.00 2.08 -0.59 -4.70 119.36 116.89 1w39 n ILE 118 Ca 0.31 -0.35 0.00 0.00 0.56 0.00 0.00 62.75 63.27 1w39 n ILE 118 Cb 0.37 -1.93 0.00 0.00 -0.75 0.00 0.00 39.64 37.33 1w39 n ILE 118 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1w39 n GLY 119 N 6.31 -0.08 1.87 7.39 0.00 0.74 -1.97 105.19 119.45 1w39 n GLY 119 Ca 0.39 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1w39 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w39 n GLY 120 N 0.05 2.01 3.68 -0.02 0.00 -0.89 -4.47 105.19 105.56 1w39 n GLY 120 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 1w39 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w39 s ALA 121 N -1.00 1.03 0.30 4.61 0.00 -1.26 -4.96 121.76 120.47 1w39 s ALA 121 Ca 0.00 -1.09 -0.29 0.00 0.00 0.00 0.00 51.96 50.58 1w39 s ALA 121 Cb 0.00 -2.83 -0.10 0.00 0.00 0.00 0.00 23.12 20.19 1w39 s ALA 121 CO 0.00 -3.35 1.27 -1.50 0.00 0.00 0.00 175.76 172.17 1w39 s ILE 122 N -3.27 2.96 -0.31 0.00 -1.16 -1.26 -2.90 121.20 115.27 1w39 s ILE 122 Ca 0.73 0.93 0.00 0.00 -0.51 0.00 0.00 60.65 61.80 1w39 s ILE 122 Cb -0.07 -3.59 0.00 0.00 0.61 0.00 0.00 42.46 39.41 1w39 s ILE 122 CO 0.55 0.21 0.00 1.67 -2.81 0.00 0.00 174.94 174.56 1w39 n GLN 123 N 1.23 -1.07 -0.97 3.50 -0.06 -1.26 -4.89 117.38 113.86 1w39 n GLN 123 Ca 0.01 0.44 -0.21 0.00 -2.00 0.00 0.00 57.00 55.24 1w39 n GLN 123 Cb 0.43 -4.33 0.07 0.00 -4.06 0.00 0.00 30.24 22.34 1w39 n GLN 123 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1w39 n THR 124 N -2.48 2.87 0.00 1.69 -2.24 -1.14 -4.46 114.28 108.52 1w39 n THR 124 Ca -0.03 -1.82 0.00 0.00 -2.27 0.00 0.00 64.05 59.93 1w39 n THR 124 Cb 0.31 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 1w39 n THR 124 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1w39 n LEU 125 N -0.22 0.44 -4.64 3.22 4.32 -1.26 -0.18 117.00 118.67 1w39 n LEU 125 Ca 0.40 0.00 -0.45 0.00 -0.02 0.00 0.00 56.01 55.94 1w39 n LEU 125 Cb 0.80 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.58 1w39 n LEU 125 CO 0.48 0.07 0.83 -1.20 -1.22 0.00 0.00 177.39 176.36 1w39 n SER 126 N -1.69 2.17 -4.66 -1.43 7.64 -1.26 -4.32 113.62 110.06 1w39 n SER 126 Ca 0.00 1.17 -0.47 0.00 1.01 0.00 0.00 58.87 60.57 1w39 n SER 126 Cb 0.35 -1.37 -0.04 0.00 -1.01 0.00 0.00 64.21 62.14 1w39 n SER 126 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1w39 n PRO 127 N 1.34 2.04 -2.42 1.43 -0.04 -1.25 -4.64 135.00 131.46 1w39 n PRO 127 Ca 0.10 0.74 -0.31 0.00 -0.04 0.00 0.00 63.50 63.99 1w39 n PRO 127 Cb 0.31 -2.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.24 1w39 n PRO 127 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1w39 s LEU 128 N 1.43 3.61 -0.10 1.53 1.43 -0.70 -1.01 118.68 124.86 1w39 s LEU 128 Ca 0.82 1.43 -0.04 0.00 -1.03 0.00 0.00 54.13 55.31 1w39 s LEU 128 Cb -0.71 -4.38 0.05 0.00 0.03 0.00 0.00 46.19 41.18 1w39 s LEU 128 CO 0.41 -0.59 0.19 -0.63 0.23 0.00 0.00 176.35 175.97 1w39 s ILE 129 N -2.66 -0.31 -0.34 -0.59 1.01 -0.73 -1.53 121.20 116.04 1w39 s ILE 129 Ca 0.56 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1w39 s ILE 129 Cb -0.10 -0.36 0.09 0.00 0.01 0.00 0.00 42.46 42.10 1w39 s ILE 129 CO 0.35 0.12 0.07 -0.69 0.00 0.00 0.00 174.94 174.79 1w39 s VAL 130 N 2.33 2.73 0.02 2.92 1.01 0.47 -3.17 120.40 126.72 1w39 s VAL 130 Ca 0.03 -1.96 -0.30 0.00 0.00 0.00 0.00 61.98 59.75 1w39 s VAL 130 Cb -0.12 -2.82 -0.06 0.00 0.00 0.00 0.00 36.38 33.38 1w39 s VAL 130 CO -0.07 -0.45 1.37 -0.54 0.00 0.00 0.00 175.10 175.42 1w39 s LYS 131 N 1.08 4.30 0.12 2.72 1.02 -1.26 -1.44 119.74 126.28 1w39 s LYS 131 Ca 0.04 1.96 -0.31 0.00 0.02 0.00 0.00 55.97 57.68 1w39 s LYS 131 Cb -0.20 -3.50 -0.07 0.00 -0.52 0.00 0.00 37.83 33.53 1w39 s LYS 131 CO -0.05 -0.52 1.31 0.00 -0.92 0.00 0.00 175.35 175.17 1w39 s PRO 133 N 0.78 3.91 0.51 0.00 0.02 -1.26 -4.65 135.00 134.31 1w39 s PRO 133 Ca 0.61 -1.89 0.28 0.00 0.02 0.00 0.00 61.00 60.02 1w39 s PRO 133 Cb -0.34 -5.42 1.53 0.00 0.02 0.00 0.00 34.50 30.29 1w39 s PRO 133 CO 0.32 -2.16 1.84 -0.07 -0.33 0.00 0.00 177.00 176.59 1w39 h LEU 134 N 12.15 0.00 -0.77 -5.54 -0.00 -1.91 0.62 115.31 119.86 1w39 h LEU 134 Ca 0.37 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 58.28 1w39 h LEU 134 Cb 0.91 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.52 1w39 h LEU 134 CO 1.41 0.00 0.49 -0.33 -0.00 0.00 0.00 178.44 180.01 1w39 h GLU 135 N 0.00 0.92 0.00 1.13 3.07 -1.96 -2.71 114.58 115.03 1w39 h GLU 135 Ca 0.00 -0.06 -0.18 0.00 -0.50 0.00 0.00 59.36 58.63 1w39 h GLU 135 Cb 0.33 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.00 1w39 h GLU 135 CO 0.00 0.61 -1.49 -1.33 -1.40 0.00 0.00 179.01 175.40 1w39 n MET 136 N -4.62 0.63 0.00 2.33 2.81 0.20 -4.70 117.12 113.77 1w39 n MET 136 Ca 0.09 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 1w39 n MET 136 Cb 0.09 -1.79 0.00 0.00 -0.71 0.00 0.00 33.22 30.81 1w39 n MET 136 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1w39 n MET 137 N -2.87 -0.04 -3.81 0.03 0.00 -0.29 -4.82 117.12 105.31 1w39 n MET 137 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.30 1w39 n MET 137 Cb 0.85 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.95 1w39 n MET 137 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 1w39 s GLN 138 N -2.74 1.77 0.62 2.12 -0.44 -0.21 -4.65 119.66 116.13 1w39 s GLN 138 Ca 0.00 -2.54 0.25 0.00 -2.50 0.00 0.00 55.36 50.57 1w39 s GLN 138 Cb 0.00 -2.85 1.25 0.00 -1.64 0.00 0.00 33.01 29.76 1w39 s GLN 138 CO 0.00 -1.19 1.69 -1.00 0.50 0.00 0.00 175.29 175.29 1w39 h PRO 139 N 6.25 0.00 -5.53 1.67 0.13 -1.85 -3.33 132.00 129.33 1w39 h PRO 139 Ca 0.02 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.84 1w39 h PRO 139 Cb 0.87 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.01 1w39 h PRO 139 CO 0.60 0.00 1.12 1.03 -0.23 0.00 0.00 178.00 180.52 1w39 s ARG 140 N -4.37 1.93 0.12 0.86 1.81 -1.26 -0.60 118.95 117.44 1w39 s ARG 140 Ca -0.03 1.11 0.23 0.00 -1.72 0.00 0.00 55.73 55.32 1w39 s ARG 140 Cb 0.12 -4.65 0.14 0.00 -0.45 0.00 0.00 34.95 30.11 1w39 s ARG 140 CO 0.39 -3.66 1.13 1.55 -0.68 0.00 0.00 175.30 174.04 1w39 n VAL 141 N 8.25 0.37 -3.43 3.52 3.14 -0.61 -4.80 118.33 124.77 1w39 n VAL 141 Ca 0.40 -0.35 -0.03 0.00 -2.96 0.00 0.00 64.34 61.39 1w39 n VAL 141 Cb 0.51 -0.09 -0.05 0.00 -1.06 0.00 0.00 33.84 33.15 1w39 n VAL 141 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1w39 s LYS 142 N -3.24 0.46 0.00 1.45 2.20 -0.01 -4.91 119.74 115.69 1w39 s LYS 142 Ca 0.03 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 56.63 1w39 s LYS 142 Cb 0.13 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.76 1w39 s LYS 142 CO 0.77 -0.45 0.00 -3.47 -0.36 0.00 0.00 175.35 171.84 1w39 n ASP 143 N 5.41 0.00 0.26 1.43 2.03 -1.26 -0.11 116.55 124.31 1w39 n ASP 143 Ca -0.06 -0.22 0.16 0.00 0.52 0.00 0.00 54.79 55.18 1w39 n ASP 143 Cb 0.50 0.00 0.55 0.00 -0.72 0.00 0.00 41.12 41.45 1w39 n ASP 143 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1w39 h SER 144 N 0.00 0.00 -5.86 1.67 0.02 -1.98 -3.45 113.55 103.95 1w39 h SER 144 Ca 0.00 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.51 1w39 h SER 144 Cb 0.00 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.41 1w39 h SER 144 CO 0.00 0.02 -0.50 0.27 -1.14 0.00 0.00 176.83 175.48 1w39 s ILE 145 N -3.56 0.00 -0.31 3.27 -5.25 -1.26 -5.13 121.20 108.96 1w39 s ILE 145 Ca 0.02 -1.99 -0.10 0.00 -0.99 0.00 0.00 60.65 57.59 1w39 s ILE 145 Cb 0.08 -2.50 -0.01 0.00 2.95 0.00 0.00 42.46 42.98 1w39 s ILE 145 CO 0.58 0.00 0.16 -1.10 -1.79 0.00 0.00 174.94 172.79 1w39 s GLN 146 N -3.52 3.43 0.83 0.37 -0.21 -1.26 -4.96 119.66 114.34 1w39 s GLN 146 Ca 0.40 -0.66 -0.12 0.00 0.02 0.00 0.00 55.36 55.01 1w39 s GLN 146 Cb 0.03 -3.58 0.11 0.00 1.00 0.00 0.00 33.01 30.57 1w39 s GLN 146 CO 0.26 -0.38 1.19 0.71 -2.12 0.00 0.00 175.29 174.95 1w39 s TYR 147 N 1.64 2.55 -0.04 0.91 2.02 -1.26 -5.04 117.35 118.12 1w39 s TYR 147 Ca 0.05 0.56 0.01 0.00 -0.37 0.00 0.00 57.07 57.32 1w39 s TYR 147 Cb -0.17 -3.61 -0.03 0.00 -0.40 0.00 0.00 41.96 37.75 1w39 s TYR 147 CO 0.07 -1.96 -0.03 1.28 -1.57 0.00 0.00 175.55 173.35 1w39 n LEU 148 N -3.37 2.18 -0.29 -1.29 4.77 -1.26 -4.62 117.00 113.13 1w39 n LEU 148 Ca 0.10 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1w39 n LEU 148 Cb 0.60 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1w39 n LEU 148 CO 0.53 0.44 0.17 0.47 -1.33 0.00 0.00 177.39 177.68 1w39 n ASP 149 N -2.49 0.28 -4.57 -1.43 9.92 -1.26 -2.41 116.55 114.58 1w39 n ASP 149 Ca -0.07 -0.97 -0.36 0.00 -0.53 0.00 0.00 54.79 52.85 1w39 n ASP 149 Cb 0.59 -0.14 0.07 0.00 -0.64 0.00 0.00 41.12 41.00 1w39 n ASP 149 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1w39 n SER 150 N -0.07 0.01 -4.72 -2.24 2.88 -1.25 -1.05 113.62 107.19 1w39 n SER 150 Ca 0.00 0.69 -0.42 0.00 -1.33 0.00 0.00 58.87 57.81 1w39 n SER 150 Cb 0.07 -1.34 -0.03 0.00 -0.75 0.00 0.00 64.21 62.16 1w39 n SER 150 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1w39 s PRO 151 N -2.94 4.19 -0.03 -1.46 0.02 -1.26 0.20 135.00 133.73 1w39 s PRO 151 Ca 0.72 2.43 0.04 0.00 0.02 0.00 0.00 61.00 64.21 1w39 s PRO 151 Cb -0.37 -3.13 -0.00 0.00 0.02 0.00 0.00 34.50 31.02 1w39 s PRO 151 CO 0.51 -0.65 -0.13 0.21 -0.33 0.00 0.00 177.00 176.62 1w39 s LYS 152 N 1.14 1.26 -0.11 5.54 2.20 -0.63 -1.62 119.74 127.52 1w39 s LYS 152 Ca 0.71 -0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 55.83 1w39 s LYS 152 Cb -0.45 -1.15 -0.04 0.00 -1.51 0.00 0.00 37.83 34.68 1w39 s LYS 152 CO 0.31 0.21 0.04 -1.17 -0.36 0.00 0.00 175.35 174.38 1w39 s LEU 153 N -0.00 3.80 0.04 5.43 2.96 0.43 -1.68 118.68 129.66 1w39 s LEU 153 Ca -0.01 0.20 0.08 0.00 -0.22 0.00 0.00 54.13 54.18 1w39 s LEU 153 Cb -0.09 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1w39 s LEU 153 CO 0.01 0.34 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.42 1w39 s LEU 154 N -0.66 2.49 -0.06 -0.68 1.43 -0.67 -0.95 118.68 119.58 1w39 s LEU 154 Ca 0.11 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1w39 s LEU 154 Cb -0.12 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.67 1w39 s LEU 154 CO 0.02 0.26 0.25 -0.63 0.23 0.00 0.00 176.35 176.48 1w39 s ILE 155 N -0.88 0.03 -0.03 -0.59 1.01 0.46 -2.68 121.20 118.52 1w39 s ILE 155 Ca 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 1w39 s ILE 155 Cb -0.10 -0.43 0.03 0.00 0.01 0.00 0.00 42.46 41.97 1w39 s ILE 155 CO 0.04 -0.12 0.03 -0.94 0.00 0.00 0.00 174.94 173.95 1w39 s SER 156 N -0.42 0.49 -0.12 3.58 1.04 -0.75 -0.31 113.70 117.20 1w39 s SER 156 Ca -0.05 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.41 1w39 s SER 156 Cb -0.04 -0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 1w39 s SER 156 CO 0.01 -0.15 -0.17 -0.63 0.98 0.00 0.00 173.24 173.28 1w39 s ILE 157 N 1.35 2.69 -0.51 -1.02 -1.09 0.10 -0.26 121.20 122.47 1w39 s ILE 157 Ca -0.05 -0.79 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 1w39 s ILE 157 Cb -0.13 -2.10 0.13 0.00 -1.58 0.00 0.00 42.46 38.78 1w39 s ILE 157 CO -0.03 0.54 0.29 -0.89 -1.23 0.00 0.00 174.94 173.61 1w39 s THR 158 N 0.37 3.10 0.73 2.92 2.01 -0.33 -2.19 115.64 122.25 1w39 s THR 158 Ca -0.13 -2.80 -0.12 0.00 0.31 0.00 0.00 61.69 58.95 1w39 s THR 158 Cb -0.17 -3.11 0.03 0.00 0.01 0.00 0.00 72.50 69.27 1w39 s THR 158 CO 0.07 -0.78 1.09 0.00 -0.69 0.00 0.00 174.62 174.31 1w39 s ALA 159 N 0.24 2.38 0.59 7.40 0.00 -1.26 -2.15 121.76 128.96 1w39 s ALA 159 Ca 0.14 0.32 -0.20 0.00 0.00 0.00 0.00 51.96 52.22 1w39 s ALA 159 Cb -0.22 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1w39 s ALA 159 CO -0.03 -1.54 1.27 0.94 0.00 0.00 0.00 175.76 176.40 1w39 n GLN 160 N -3.15 1.35 -0.05 0.00 -0.06 -1.26 -4.82 117.38 109.40 1w39 n GLN 160 Ca 0.09 0.51 -0.09 0.00 -2.00 0.00 0.00 57.00 55.51 1w39 n GLN 160 Cb 0.53 -2.49 -0.02 0.00 -4.06 0.00 0.00 30.24 24.19 1w39 n GLN 160 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1w39 h PRO 161 N 0.96 0.17 -3.64 3.69 0.13 -1.94 -2.98 132.00 128.39 1w39 h PRO 161 Ca -0.50 -0.01 -0.78 0.00 -0.87 0.00 0.00 66.00 63.84 1w39 h PRO 161 Cb 1.33 -0.04 -0.23 0.00 0.13 0.00 0.00 31.00 32.19 1w39 h PRO 161 CO 0.55 0.11 1.08 0.25 -0.23 0.00 0.00 178.00 179.76 1w39 n THR 162 N -5.04 4.67 -0.62 1.56 -2.24 -1.26 -5.02 114.28 106.33 1w39 n THR 162 Ca -0.02 -5.19 -0.20 0.00 -2.27 0.00 0.00 64.05 56.37 1w39 n THR 162 Cb 0.08 -2.37 0.00 0.00 -2.10 0.00 0.00 70.33 65.94 1w39 n THR 162 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1w39 n ALA 163 N 3.21 -2.19 -1.86 6.98 0.00 -1.13 -4.94 120.51 120.59 1w39 n ALA 163 Ca 0.31 0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.46 1w39 n ALA 163 Cb 0.38 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1w39 n ALA 163 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1w39 s PRO 164 N -0.49 3.66 0.29 0.00 0.04 -1.26 -4.96 135.00 132.29 1w39 s PRO 164 Ca 0.28 0.80 -0.01 0.00 0.04 0.00 0.00 61.00 62.12 1w39 s PRO 164 Cb -0.28 -2.09 0.47 0.00 0.04 0.00 0.00 34.50 32.64 1w39 s PRO 164 CO 0.31 -0.52 1.92 -1.00 0.04 0.00 0.00 177.00 177.75 1w39 h PRO 165 N -0.04 1.06 -4.97 0.56 0.13 -1.97 -3.45 132.00 123.32 1w39 h PRO 165 Ca -0.45 -0.06 -0.53 0.00 -0.87 0.00 0.00 66.00 64.09 1w39 h PRO 165 Cb 1.19 -0.24 -0.13 0.00 0.13 0.00 0.00 31.00 31.95 1w39 h PRO 165 CO 0.62 0.70 -0.49 0.00 -0.23 0.00 0.00 178.00 178.60 1w39 s ALA 166 N -5.95 2.47 0.45 -0.56 0.00 -1.26 -5.06 121.76 111.85 1w39 s ALA 166 Ca -0.12 -1.59 -0.24 0.00 0.00 0.00 0.00 51.96 50.01 1w39 s ALA 166 Cb 0.19 1.11 -0.09 0.00 0.00 0.00 0.00 23.12 24.33 1w39 s ALA 166 CO 0.80 -0.50 1.21 0.43 0.00 0.00 0.00 175.76 177.71 1w39 n SER 167 N -1.48 2.21 0.04 0.00 7.64 -1.26 -4.44 113.62 116.32 1w39 n SER 167 Ca 0.00 1.06 0.11 0.00 1.01 0.00 0.00 58.87 61.06 1w39 n SER 167 Cb 0.64 -1.47 -0.04 0.00 -1.01 0.00 0.00 64.21 62.32 1w39 n SER 167 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1w39 n THR 168 N -0.45 0.23 -3.53 0.44 -2.24 -0.38 -4.45 114.28 103.91 1w39 n THR 168 Ca 0.08 -0.38 -0.16 0.00 -2.27 0.00 0.00 64.05 61.31 1w39 n THR 168 Cb 0.41 0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 1w39 n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1w39 s ILE 170 N -1.20 4.37 -0.32 0.00 1.01 -0.36 -3.48 121.20 121.22 1w39 s ILE 170 Ca -0.09 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 1w39 s ILE 170 Cb -0.00 -2.95 0.03 0.00 0.01 0.00 0.00 42.46 39.56 1w39 s ILE 170 CO 0.08 0.48 0.08 -0.63 0.00 0.00 0.00 174.94 174.95 1w39 s ILE 171 N 0.37 3.71 0.26 2.92 1.01 -0.56 -1.03 121.20 127.88 1w39 s ILE 171 Ca -0.00 -1.05 0.10 0.00 0.00 0.00 0.00 60.65 59.70 1w39 s ILE 171 Cb -0.13 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1w39 s ILE 171 CO 0.01 -0.10 -0.05 0.42 0.00 0.00 0.00 174.94 175.22 1w39 s THR 172 N 1.41 3.22 -0.07 2.92 -4.23 -0.95 0.16 115.64 118.09 1w39 s THR 172 Ca -0.01 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.54 1w39 s THR 172 Cb -0.19 -2.71 -0.00 0.00 1.34 0.00 0.00 72.50 70.94 1w39 s THR 172 CO 0.02 -0.36 -0.20 0.54 -0.54 0.00 0.00 174.62 174.08 1w39 s VAL 173 N -2.31 1.75 0.25 2.29 0.11 0.78 -1.28 120.40 121.98 1w39 s VAL 173 Ca 0.31 -0.86 0.04 0.00 -2.93 0.00 0.00 61.98 58.54 1w39 s VAL 173 Cb -0.06 -1.51 -0.05 0.00 -1.53 0.00 0.00 36.38 33.22 1w39 s VAL 173 CO 0.18 0.49 -0.01 -0.44 -3.33 0.00 0.00 175.10 172.00 1w39 s SER 174 N 0.24 2.05 0.00 3.54 0.01 -0.00 -0.15 113.70 119.38 1w39 s SER 174 Ca -0.12 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 55.91 1w39 s SER 174 Cb -0.15 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1w39 s SER 174 CO 0.05 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.82 1w39 n GLY 175 N -0.47 -0.92 3.19 3.44 0.00 -0.11 -0.58 105.19 109.74 1w39 n GLY 175 Ca -0.05 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 1w39 n GLY 175 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w39 s THR 176 N -2.00 1.46 0.25 2.61 2.01 -0.61 -0.05 115.64 119.31 1w39 s THR 176 Ca 0.00 -0.92 0.07 0.00 0.31 0.00 0.00 61.69 61.16 1w39 s THR 176 Cb 0.00 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 1w39 s THR 176 CO 0.00 0.31 0.16 -0.76 -0.69 0.00 0.00 174.62 173.64 1w39 s LEU 177 N -0.71 3.71 -0.26 4.42 1.43 0.17 -0.44 118.68 127.01 1w39 s LEU 177 Ca 0.07 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1w39 s LEU 177 Cb -0.08 -2.25 0.08 0.00 0.03 0.00 0.00 46.19 43.98 1w39 s LEU 177 CO 0.00 -0.03 0.09 -0.55 0.23 0.00 0.00 176.35 176.10 1w39 s SER 178 N -3.78 3.39 0.17 2.29 0.15 -0.47 -1.30 113.70 114.16 1w39 s SER 178 Ca 0.32 -1.20 0.07 0.00 0.70 0.00 0.00 55.95 55.85 1w39 s SER 178 Cb -0.08 -0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 63.63 1w39 s SER 178 CO 0.24 -0.39 -0.16 0.00 1.20 0.00 0.00 173.24 174.14 1w39 s MET 179 N 1.89 1.22 0.31 5.44 0.23 -0.90 -1.03 119.30 126.46 1w39 s MET 179 Ca 0.06 -1.43 -0.18 0.00 -1.03 0.00 0.00 55.69 53.11 1w39 s MET 179 Cb -0.17 -1.13 0.03 0.00 -1.53 0.00 0.00 34.83 32.03 1w39 s MET 179 CO -0.23 0.21 0.71 -3.38 -2.03 0.00 0.00 175.02 170.30 1w39 s HIS 180 N -2.44 0.02 -0.07 3.16 -3.43 -0.37 -2.49 115.29 109.67 1w39 s HIS 180 Ca 0.16 -0.52 -0.05 0.00 -0.80 0.00 0.00 55.06 53.85 1w39 s HIS 180 Cb -0.03 0.66 0.02 0.00 -1.43 0.00 0.00 32.58 31.80 1w39 s HIS 180 CO 0.06 -1.31 0.09 0.43 -2.00 0.00 0.00 174.74 172.01 1w39 n SER 181 N -0.79 -2.12 -4.77 7.38 7.64 -1.26 -2.57 113.62 117.14 1w39 n SER 181 Ca -0.05 0.69 -0.41 0.00 1.01 0.00 0.00 58.87 60.11 1w39 n SER 181 Cb 0.60 -3.00 -0.00 0.00 -1.01 0.00 0.00 64.21 60.79 1w39 n SER 181 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1w39 n PRO 182 N 0.82 2.66 -3.30 1.43 -0.02 -1.26 -0.26 135.00 135.06 1w39 n PRO 182 Ca -0.16 0.93 -0.46 0.00 -2.02 0.00 0.00 63.50 61.79 1w39 n PRO 182 Cb 0.25 -2.66 -0.05 0.00 -0.02 0.00 0.00 33.50 31.02 1w39 n PRO 182 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1w39 s LEU 183 N -1.97 6.21 -0.89 2.45 1.98 -0.65 -4.64 118.68 121.17 1w39 s LEU 183 Ca 0.54 -1.87 -0.23 0.00 -2.89 0.00 0.00 54.13 49.67 1w39 s LEU 183 Cb -0.48 -2.22 -0.19 0.00 0.66 0.00 0.00 46.19 43.96 1w39 s LEU 183 CO 0.63 -0.84 2.11 -0.38 -1.89 0.00 0.00 176.35 175.99 1w39 n ILE 184 N 5.13 0.00 -4.07 6.68 2.08 -1.26 -4.81 119.36 123.10 1w39 n ILE 184 Ca -0.11 -0.24 -0.03 0.00 0.56 0.00 0.00 62.75 62.94 1w39 n ILE 184 Cb 0.41 -1.70 -0.01 0.00 -0.75 0.00 0.00 39.64 37.59 1w39 n ILE 184 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 1w39 n THR 185 N 8.40 0.00 -2.88 1.39 5.66 -1.26 -5.10 114.28 120.50 1w39 n THR 185 Ca 0.41 -0.24 -0.41 0.00 -3.05 0.00 0.00 64.05 60.76 1w39 n THR 185 Cb 0.44 0.05 -0.04 0.00 -1.55 0.00 0.00 70.33 69.24 1w39 n THR 185 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1w39 s ASP 186 N -1.27 7.00 0.00 1.09 2.15 -1.26 -4.92 116.67 119.46 1w39 s ASP 186 Ca 0.00 1.23 0.22 0.00 0.43 0.00 0.00 52.55 54.43 1w39 s ASP 186 Cb 0.00 -2.47 0.50 0.00 -0.30 0.00 0.00 42.92 40.66 1w39 s ASP 186 CO 0.00 -0.37 1.43 0.35 -0.17 0.00 0.00 175.17 176.41 1w39 n THR 187 N 4.60 0.74 -0.49 1.71 -2.24 -1.26 -4.45 114.28 112.89 1w39 n THR 187 Ca 0.04 -0.87 0.40 0.00 -2.27 0.00 0.00 64.05 61.35 1w39 n THR 187 Cb 0.49 0.75 0.70 0.00 -2.10 0.00 0.00 70.33 70.17 1w39 n THR 187 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1w39 h SER 188 N 4.14 0.16 0.00 3.42 4.64 -2.07 -3.56 113.55 120.29 1w39 h SER 188 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1w39 h SER 188 Cb 0.96 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1w39 h SER 188 CO 0.00 -0.10 0.00 0.35 -0.87 0.00 0.00 176.83 176.21