#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 2.70 -0.20 0.03 -1.05 -1.26 -5.11 118.70 113.82 1w39 s GLU 2 Ca 0.00 -1.34 -0.11 0.00 -0.15 0.00 0.00 54.97 53.37 1w39 s GLU 2 Cb 0.00 -2.49 -0.05 0.00 -0.44 0.00 0.00 34.13 31.15 1w39 s GLU 2 CO 0.00 -0.01 0.18 0.42 0.95 0.00 0.00 175.26 176.80 1w39 s ILE 3 N -2.35 5.37 -1.00 1.83 -1.09 -1.26 -4.99 121.20 117.72 1w39 s ILE 3 Ca 0.44 0.29 -0.08 0.00 -2.23 0.00 0.00 60.65 59.08 1w39 s ILE 3 Cb -0.06 -3.52 -0.12 0.00 -1.58 0.00 0.00 42.46 37.18 1w39 s ILE 3 CO 0.28 0.41 2.85 -0.67 -1.23 0.00 0.00 174.94 176.57 1w39 n ASP 4 N 3.67 6.70 -3.21 3.58 2.03 -1.26 -4.64 116.55 123.42 1w39 n ASP 4 Ca -0.15 -2.45 0.04 0.00 0.52 0.00 0.00 54.79 52.75 1w39 n ASP 4 Cb 0.52 -1.36 -0.02 0.00 -0.72 0.00 0.00 41.12 39.54 1w39 n ASP 4 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1w39 s LYS 5 N 2.19 0.45 -0.20 -0.67 -2.85 -1.26 -4.19 119.74 113.20 1w39 s LYS 5 Ca 0.60 0.86 -0.09 0.00 -1.00 0.00 0.00 55.97 56.34 1w39 s LYS 5 Cb 0.19 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.40 1w39 s LYS 5 CO -0.04 -0.44 0.09 -2.00 0.10 0.00 0.00 175.35 173.07 1w39 s GLU 6 N 2.86 4.02 -0.10 1.78 2.12 -0.82 -4.97 118.70 123.60 1w39 s GLU 6 Ca 0.11 -0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.14 1w39 s GLU 6 Cb -0.13 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 1w39 s GLU 6 CO -0.18 0.22 -0.13 -0.48 -0.54 0.00 0.00 175.26 174.15 1w39 s LEU 7 N 0.55 2.74 -0.59 2.70 0.05 -1.26 -1.88 118.68 120.99 1w39 s LEU 7 Ca 0.05 -0.27 -0.02 0.00 0.05 0.00 0.00 54.13 53.95 1w39 s LEU 7 Cb -0.12 -1.59 0.15 0.00 -2.05 0.00 0.00 46.19 42.58 1w39 s LEU 7 CO 0.01 0.24 0.40 0.00 -0.55 0.00 0.00 176.35 176.44 1w39 s ALA 8 N -0.09 3.51 0.15 1.48 0.00 -0.98 -4.90 121.76 120.92 1w39 s ALA 8 Ca -0.02 -3.21 -0.31 0.00 0.00 0.00 0.00 51.96 48.42 1w39 s ALA 8 Cb -0.14 -2.57 -0.09 0.00 0.00 0.00 0.00 23.12 20.32 1w39 s ALA 8 CO 0.04 -2.07 1.52 -1.25 0.00 0.00 0.00 175.76 174.00 1w39 s PRO 9 N -0.01 4.24 0.06 0.00 0.04 -1.26 -4.52 135.00 133.56 1w39 s PRO 9 Ca 0.16 2.29 -0.30 0.00 0.04 0.00 0.00 61.00 63.19 1w39 s PRO 9 Cb -0.21 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1w39 s PRO 9 CO -0.03 -0.57 1.06 -1.14 0.04 0.00 0.00 177.00 176.36 1w39 s GLN 10 N 1.18 4.54 0.35 4.56 0.74 -1.26 -4.99 119.66 124.78 1w39 s GLN 10 Ca 0.69 1.58 -0.29 0.00 0.05 0.00 0.00 55.36 57.39 1w39 s GLN 10 Cb -0.42 -3.39 -0.11 0.00 1.10 0.00 0.00 33.01 30.20 1w39 s GLN 10 CO 0.31 -0.06 1.47 -0.51 -0.55 0.00 0.00 175.29 175.95 1w39 s ASP 11 N 0.72 6.44 0.00 6.67 1.01 -1.26 -4.95 116.67 125.29 1w39 s ASP 11 Ca 0.53 2.95 0.00 0.00 0.71 0.00 0.00 52.55 56.74 1w39 s ASP 11 Cb -0.25 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.02 1w39 s ASP 11 CO 0.30 -0.82 0.00 -2.11 0.21 0.00 0.00 175.17 172.75 1w39 n ARG 12 N 0.93 2.07 -3.63 8.23 1.85 -1.26 -4.57 116.66 120.28 1w39 n ARG 12 Ca 0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.81 1w39 n ARG 12 Cb 0.39 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.74 1w39 n ARG 12 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1w39 s THR 13 N 0.05 0.00 -0.15 8.89 -1.32 -1.26 -5.10 115.64 116.75 1w39 s THR 13 Ca 0.00 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 1w39 s THR 13 Cb 0.00 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.92 1w39 s THR 13 CO 0.00 0.00 2.13 0.52 -2.21 0.00 0.00 174.62 175.06 1w39 n VAL 14 N 1.68 0.47 -3.31 5.08 0.31 -1.26 -4.78 118.33 116.52 1w39 n VAL 14 Ca -0.10 -0.33 -0.09 0.00 -0.01 0.00 0.00 64.34 63.80 1w39 n VAL 14 Cb 0.57 -2.38 -0.06 0.00 -0.91 0.00 0.00 33.84 31.06 1w39 n VAL 14 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1w39 s THR 15 N 6.89 -0.63 0.78 2.52 2.01 -1.26 -5.12 115.64 120.83 1w39 s THR 15 Ca 0.98 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 62.55 1w39 s THR 15 Cb -0.43 -0.99 0.20 0.00 0.01 0.00 0.00 72.50 71.29 1w39 s THR 15 CO 0.39 -0.29 0.63 1.33 -0.69 0.00 0.00 174.62 175.99 1w39 n VAL 16 N 5.35 0.00 -3.62 3.82 0.24 -1.26 -4.38 118.33 118.48 1w39 n VAL 16 Ca 0.01 -0.22 -0.04 0.00 -2.04 0.00 0.00 64.34 62.05 1w39 n VAL 16 Cb 0.49 -1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 31.81 1w39 n VAL 16 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1w39 s ALA 17 N -2.76 -2.08 1.11 2.33 0.00 -1.26 -4.99 121.76 114.10 1w39 s ALA 17 Ca 0.42 2.33 -0.18 0.00 0.00 0.00 0.00 51.96 54.54 1w39 s ALA 17 Cb -0.05 -1.63 0.25 0.00 0.00 0.00 0.00 23.12 21.69 1w39 s ALA 17 CO 0.33 -0.56 1.18 0.95 0.00 0.00 0.00 175.76 177.66 1w39 s THR 18 N 1.96 1.75 -0.30 0.00 -4.23 -1.26 -5.08 115.64 108.49 1w39 s THR 18 Ca -0.08 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.24 1w39 s THR 18 Cb -0.06 -2.66 0.20 0.00 1.34 0.00 0.00 72.50 71.31 1w39 s THR 18 CO -0.18 0.00 1.29 0.54 -0.54 0.00 0.00 174.62 175.73 1w39 s VAL 19 N -3.29 0.00 -0.44 2.29 0.11 -1.26 -5.07 120.40 112.74 1w39 s VAL 19 Ca 0.71 0.00 -0.41 0.00 -2.93 0.00 0.00 61.98 59.35 1w39 s VAL 19 Cb -0.08 -1.00 -0.18 0.00 -1.53 0.00 0.00 36.38 33.59 1w39 s VAL 19 CO 0.55 0.00 1.52 -0.11 -3.33 0.00 0.00 175.10 173.73 1w39 n LEU 20 N 2.69 0.99 -4.77 2.54 -0.00 -1.26 -4.88 117.00 112.30 1w39 n LEU 20 Ca -0.15 0.96 -0.36 0.00 -0.00 0.00 0.00 56.01 56.46 1w39 n LEU 20 Cb 0.56 -0.78 -0.00 0.00 -0.00 0.00 0.00 43.42 43.20 1w39 n LEU 20 CO 0.05 -0.73 0.81 -2.16 -0.00 0.00 0.00 177.39 175.35 1w39 s PRO 21 N 3.23 3.50 -0.15 1.96 0.04 -1.26 -4.93 135.00 137.39 1w39 s PRO 21 Ca 0.96 1.70 -0.37 0.00 0.04 0.00 0.00 61.00 63.33 1w39 s PRO 21 Cb -1.33 -2.17 -0.14 0.00 0.04 0.00 0.00 34.50 30.91 1w39 s PRO 21 CO 0.70 -0.75 1.79 0.00 0.04 0.00 0.00 177.00 178.78 1w39 n ALA 22 N -0.98 0.37 -1.81 8.56 0.00 -1.26 -4.91 120.51 120.48 1w39 n ALA 22 Ca 0.10 0.34 -0.41 0.00 0.00 0.00 0.00 53.44 53.47 1w39 n ALA 22 Cb 0.50 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 1w39 n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1w39 s VAL 23 N 3.59 2.46 0.13 0.00 0.11 -1.26 -4.89 120.40 120.55 1w39 s VAL 23 Ca 0.94 0.42 -0.35 0.00 -2.93 0.00 0.00 61.98 60.07 1w39 s VAL 23 Cb -0.86 -3.27 -0.15 0.00 -1.53 0.00 0.00 36.38 30.56 1w39 s VAL 23 CO 0.57 0.09 1.40 -0.81 -3.33 0.00 0.00 175.10 173.02 1w39 n PRO 24 N 1.44 1.55 0.00 1.54 -0.04 -1.26 -4.84 135.00 133.38 1w39 n PRO 24 Ca 0.04 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1w39 n PRO 24 Cb 0.40 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 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 2.71 -0.00 3.85 0.55 0.00 -1.26 -5.14 105.19 105.90 1w39 n GLY 25 Ca 0.17 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.74 3.88 0.57 1.61 0.04 -1.26 -5.01 135.00 133.09 1w39 s PRO 26 Ca 0.00 0.81 -0.18 0.00 0.04 0.00 0.00 61.00 61.66 1w39 s PRO 26 Cb 0.00 -2.20 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 1w39 s PRO 26 CO 0.00 -0.23 0.65 0.45 0.04 0.00 0.00 177.00 177.91 1w39 n SER 27 N -1.59 -0.53 -4.61 6.66 2.88 -1.26 -4.98 113.62 110.19 1w39 n SER 27 Ca 0.05 0.77 -0.26 0.00 -1.33 0.00 0.00 58.87 58.10 1w39 n SER 27 Cb 0.54 -1.23 -0.09 0.00 -0.75 0.00 0.00 64.21 62.69 1w39 n SER 27 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1w39 s PRO 28 N -2.22 2.20 0.86 -1.46 0.04 -1.26 -5.11 135.00 128.05 1w39 s PRO 28 Ca 0.70 -1.22 -0.12 0.00 0.04 0.00 0.00 61.00 60.39 1w39 s PRO 28 Cb -0.45 -2.23 0.09 0.00 0.04 0.00 0.00 34.50 31.95 1w39 s PRO 28 CO 0.53 0.44 0.98 1.28 0.04 0.00 0.00 177.00 180.27 1w39 n LEU 29 N -0.09 2.92 -3.51 -3.56 7.99 -1.26 -5.02 117.00 114.48 1w39 n LEU 29 Ca -0.10 0.49 -0.15 0.00 -0.01 0.00 0.00 56.01 56.24 1w39 n LEU 29 Cb 0.56 -1.42 -0.05 0.00 -0.11 0.00 0.00 43.42 42.40 1w39 n LEU 29 CO 0.37 -2.32 0.51 0.28 -1.51 0.00 0.00 177.39 174.71 1w39 s THR 30 N -2.32 0.00 0.23 -5.08 -1.32 -1.26 -4.35 115.64 101.54 1w39 s THR 30 Ca 0.68 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 61.19 1w39 s THR 30 Cb -0.26 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.68 1w39 s THR 30 CO 0.57 0.00 -0.01 0.27 -2.21 0.00 0.00 174.62 173.24 1w39 s ILE 31 N -1.92 1.07 -0.04 5.08 -5.25 -0.57 -5.01 121.20 114.56 1w39 s ILE 31 Ca -0.05 -2.04 0.05 0.00 -0.99 0.00 0.00 60.65 57.61 1w39 s ILE 31 Cb -0.00 -2.33 -0.00 0.00 2.95 0.00 0.00 42.46 43.08 1w39 s ILE 31 CO 0.02 -0.34 -0.18 -0.54 -1.79 0.00 0.00 174.94 172.10 1w39 s LYS 32 N -3.85 1.86 -0.11 0.37 1.02 -1.26 -1.26 119.74 116.52 1w39 s LYS 32 Ca 0.28 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.62 1w39 s LYS 32 Cb 0.05 -1.62 0.02 0.00 -0.52 0.00 0.00 37.83 35.76 1w39 s LYS 32 CO 0.08 0.27 -0.10 -0.65 -0.92 0.00 0.00 175.35 174.03 1w39 s GLN 33 N -0.01 1.73 0.66 1.68 -1.52 0.14 -4.92 119.66 117.42 1w39 s GLN 33 Ca -0.03 -0.36 -0.07 0.00 -1.95 0.00 0.00 55.36 52.95 1w39 s GLN 33 Cb -0.12 -1.65 0.03 0.00 -0.22 0.00 0.00 33.01 31.06 1w39 s GLN 33 CO 0.02 -0.18 0.99 -1.25 -0.25 0.00 0.00 175.29 174.61 1w39 s PRO 34 N 1.40 2.62 -0.16 2.91 0.04 -1.26 0.10 135.00 140.65 1w39 s PRO 34 Ca -0.00 0.00 -0.30 0.00 0.04 0.00 0.00 61.00 60.73 1w39 s PRO 34 Cb -0.13 -2.18 0.14 0.00 0.04 0.00 0.00 34.50 32.36 1w39 s PRO 34 CO -0.06 -0.98 1.07 -0.59 0.04 0.00 0.00 177.00 176.49 1w39 s PHE 35 N -3.17 -0.28 -0.08 0.56 -0.12 0.49 -4.88 117.98 110.51 1w39 s PHE 35 Ca 0.57 0.40 -0.03 0.00 -0.05 0.00 0.00 56.93 57.82 1w39 s PHE 35 Cb -0.11 0.48 0.04 0.00 -0.63 0.00 0.00 43.02 42.81 1w39 s PHE 35 CO 0.46 -0.30 0.17 -1.14 -0.05 0.00 0.00 175.22 174.36 1w39 s GLN 36 N -1.55 0.07 0.02 1.99 0.74 -1.26 -0.81 119.66 118.87 1w39 s GLN 36 Ca 0.02 0.50 0.04 0.00 0.05 0.00 0.00 55.36 55.97 1w39 s GLN 36 Cb -0.01 -0.21 -0.02 0.00 1.10 0.00 0.00 33.01 33.88 1w39 s GLN 36 CO -0.02 -0.24 -0.11 -1.54 -0.55 0.00 0.00 175.29 172.83 1w39 s SER 37 N 1.80 1.26 0.11 6.67 1.04 0.59 -4.94 113.70 120.23 1w39 s SER 37 Ca -0.03 -0.35 -0.31 0.00 0.48 0.00 0.00 55.95 55.75 1w39 s SER 37 Cb -0.12 -0.09 -0.07 0.00 0.10 0.00 0.00 66.02 65.85 1w39 s SER 37 CO -0.06 0.02 1.27 -1.61 0.98 0.00 0.00 173.24 173.84 1w39 s GLU 38 N -0.83 4.41 -0.10 4.02 2.02 -1.26 -0.65 118.70 126.30 1w39 s GLU 38 Ca 0.00 1.91 0.08 0.00 0.02 0.00 0.00 54.97 56.98 1w39 s GLU 38 Cb -0.06 -3.28 -0.12 0.00 0.10 0.00 0.00 34.13 30.77 1w39 s GLU 38 CO 0.00 -0.28 0.01 1.55 0.02 0.00 0.00 175.26 176.57 1w39 n VAL 39 N 3.53 0.68 -3.92 2.63 3.14 0.16 -4.90 118.33 119.65 1w39 n VAL 39 Ca 0.09 -0.40 -0.09 0.00 -2.96 0.00 0.00 64.34 60.98 1w39 n VAL 39 Cb 0.44 -0.77 -0.06 0.00 -1.06 0.00 0.00 33.84 32.39 1w39 n VAL 39 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1w39 s LEU 40 N -4.88 0.63 -0.43 6.55 1.43 -0.41 -4.99 118.68 116.58 1w39 s LEU 40 Ca -0.07 -0.80 0.05 0.00 -1.03 0.00 0.00 54.13 52.28 1w39 s LEU 40 Cb 0.03 1.51 0.17 0.00 0.03 0.00 0.00 46.19 47.93 1w39 s LEU 40 CO 0.39 -0.98 0.50 -0.36 0.23 0.00 0.00 176.35 176.13 1w39 s PHE 41 N -3.96 -0.53 0.00 0.29 0.08 -1.26 -1.74 117.98 110.86 1w39 s PHE 41 Ca 0.17 -0.98 0.00 0.00 0.12 0.00 0.00 56.93 56.24 1w39 s PHE 41 Cb 0.02 -0.23 0.00 0.00 -0.57 0.00 0.00 43.02 42.24 1w39 s PHE 41 CO 0.01 -1.05 0.00 0.00 -0.10 0.00 0.00 175.22 174.08 1w39 n ALA 42 N 3.55 0.00 0.00 5.36 0.00 -0.95 -4.85 120.51 123.62 1w39 n ALA 42 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1w39 n ALA 42 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 4.17 2.02 0.06 0.00 0.00 -1.26 0.15 105.19 110.32 1w39 n GLY 43 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1w39 n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1w39 n THR 44 N -0.27 0.73 -3.71 2.61 -2.24 -1.26 -3.95 114.28 106.19 1w39 n THR 44 Ca 0.00 -0.65 -0.13 0.00 -2.27 0.00 0.00 64.05 61.00 1w39 n THR 44 Cb 0.00 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 67.80 1w39 n THR 44 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1w39 s LYS 45 N -3.07 0.53 0.20 -0.78 -2.85 -1.26 -4.70 119.74 107.81 1w39 s LYS 45 Ca -0.07 0.68 -0.32 0.00 -1.00 0.00 0.00 55.97 55.26 1w39 s LYS 45 Cb 0.10 0.22 -0.14 0.00 -2.06 0.00 0.00 37.83 35.95 1w39 s LYS 45 CO 0.85 -0.08 1.34 -0.25 0.10 0.00 0.00 175.35 177.31 1w39 n ASP 46 N 3.06 2.24 -3.64 0.03 9.92 -1.26 -4.51 116.55 122.39 1w39 n ASP 46 Ca -0.15 1.14 -0.08 0.00 -0.53 0.00 0.00 54.79 55.17 1w39 n ASP 46 Cb 0.57 -1.34 -0.07 0.00 -0.64 0.00 0.00 41.12 39.63 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 0.02 -2.04 0.30 2.24 0.00 0.50 -4.94 121.76 117.85 1w39 s ALA 47 Ca 0.72 1.87 0.09 0.00 0.00 0.00 0.00 51.96 54.64 1w39 s ALA 47 Cb -0.74 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 1w39 s ALA 47 CO 0.49 -0.22 0.10 -1.83 0.00 0.00 0.00 175.76 174.29 1w39 s GLU 48 N 0.29 2.41 -0.12 0.00 -1.05 -1.26 -0.96 118.70 118.01 1w39 s GLU 48 Ca 0.03 -1.44 -0.10 0.00 -0.15 0.00 0.00 54.97 53.31 1w39 s GLU 48 Cb -0.05 -2.22 0.04 0.00 -0.44 0.00 0.00 34.13 31.46 1w39 s GLU 48 CO -0.08 0.23 0.31 0.00 0.95 0.00 0.00 175.26 176.67 1w39 s ALA 49 N -2.35 -0.77 -0.41 -0.84 0.00 0.13 -4.96 121.76 112.56 1w39 s ALA 49 Ca 0.35 0.99 0.06 0.00 0.00 0.00 0.00 51.96 53.36 1w39 s ALA 49 Cb -0.05 -0.59 0.21 0.00 0.00 0.00 0.00 23.12 22.69 1w39 s ALA 49 CO 0.22 -0.17 0.43 0.45 0.00 0.00 0.00 175.76 176.69 1w39 n SER 50 N 3.35 -0.11 -4.91 0.00 2.88 -1.25 0.11 113.62 113.69 1w39 n SER 50 Ca -0.17 -2.54 -0.30 0.00 -1.33 0.00 0.00 58.87 54.53 1w39 n SER 50 Cb 0.57 -0.60 -0.04 0.00 -0.75 0.00 0.00 64.21 63.39 1w39 n SER 50 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1w39 s LEU 51 N -0.57 4.31 -0.40 2.46 -0.00 -0.41 -4.85 118.68 119.21 1w39 s LEU 51 Ca 0.34 0.40 -0.19 0.00 -0.00 0.00 0.00 54.13 54.68 1w39 s LEU 51 Cb 0.10 -3.11 0.01 0.00 -0.00 0.00 0.00 46.19 43.19 1w39 s LEU 51 CO -0.15 0.09 0.54 -0.89 -0.00 0.00 0.00 176.35 175.93 1w39 s THR 52 N -1.63 4.97 0.65 5.48 2.01 -1.26 0.18 115.64 126.04 1w39 s THR 52 Ca 0.38 0.04 0.19 0.00 0.31 0.00 0.00 61.69 62.60 1w39 s THR 52 Cb -0.12 -4.08 0.22 0.00 0.01 0.00 0.00 72.50 68.53 1w39 s THR 52 CO 0.27 -0.42 1.52 0.40 -0.69 0.00 0.00 174.62 175.70 1w39 h ILE 53 N 5.75 0.05 0.00 1.82 1.08 -1.75 1.05 117.51 125.51 1w39 h ILE 53 Ca -0.26 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.19 1w39 h ILE 53 Cb 1.11 0.34 -0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1w39 h ILE 53 CO 0.82 0.00 -0.07 0.00 -0.69 0.00 0.00 178.15 178.21 1w39 h ALA 54 N 0.79 1.11 0.00 1.87 0.00 -1.91 -3.26 119.26 117.86 1w39 h ALA 54 Ca 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1w39 h ALA 54 Cb 1.49 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1w39 h ALA 54 CO -0.00 0.09 -0.13 0.09 0.00 0.00 0.00 179.25 179.30 1w39 n ASN 55 N -3.34 1.84 -4.69 0.00 3.02 0.36 -4.56 115.26 107.89 1w39 n ASN 55 Ca -0.01 -2.90 -0.41 0.00 -0.03 0.00 0.00 54.58 51.23 1w39 n ASN 55 Cb 0.25 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 38.99 1w39 n ASN 55 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1w39 s ILE 56 N -2.29 4.90 0.00 2.41 -4.36 -1.22 -4.61 121.20 116.03 1w39 s ILE 56 Ca 0.26 1.74 0.00 0.00 -0.26 0.00 0.00 60.65 62.39 1w39 s ILE 56 Cb 0.23 -4.18 0.00 0.00 1.25 0.00 0.00 42.46 39.76 1w39 s ILE 56 CO 0.02 0.11 0.00 -0.90 0.24 0.00 0.00 174.94 174.40 1w39 n ASP 57 N 4.55 0.00 -0.32 4.36 5.75 -1.26 0.94 116.55 130.57 1w39 n ASP 57 Ca 0.04 0.00 0.30 0.00 -0.01 0.00 0.00 54.79 55.12 1w39 n ASP 57 Cb 0.50 0.00 0.56 0.00 -1.03 0.00 0.00 41.12 41.15 1w39 n ASP 57 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1w39 h SER 58 N 0.00 0.35 0.00 -1.12 0.02 -1.93 0.71 113.55 111.58 1w39 h SER 58 Ca 0.00 0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1w39 h SER 58 Cb 0.00 0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 1w39 h SER 58 CO 0.00 -0.38 -0.21 0.58 -1.14 0.00 0.00 176.83 175.69 1w39 h VAL 59 N 0.07 0.56 -1.17 2.27 2.07 0.23 -2.91 116.25 117.37 1w39 h VAL 59 Ca 0.82 -1.47 0.44 0.00 0.82 0.00 0.00 66.70 67.32 1w39 h VAL 59 Cb 2.12 1.11 -0.16 0.00 -1.52 0.00 0.00 31.29 32.83 1w39 h VAL 59 CO -0.74 0.19 0.69 -0.24 0.02 0.00 0.00 177.57 177.50 1w39 n SER 60 N -4.67 0.29 0.04 0.57 2.88 0.24 -0.28 113.62 112.67 1w39 n SER 60 Ca -0.07 1.53 -0.19 0.00 -1.33 0.00 0.00 58.87 58.81 1w39 n SER 60 Cb 0.24 -0.75 -0.14 0.00 -0.75 0.00 0.00 64.21 62.80 1w39 n SER 60 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1w39 h THR 61 N 0.00 0.86 -0.75 2.46 1.35 0.17 -3.26 112.91 113.74 1w39 h THR 61 Ca 0.86 -2.54 -0.04 0.00 -0.55 0.00 0.00 66.41 64.14 1w39 h THR 61 Cb 2.51 2.63 -0.03 0.00 -1.73 0.00 0.00 68.15 71.53 1w39 h THR 61 CO -0.63 0.82 0.32 -0.07 -0.25 0.00 0.00 175.52 175.71 1w39 h LEU 62 N 0.07 1.01 0.00 3.87 3.38 -0.43 -2.81 115.31 120.41 1w39 h LEU 62 Ca -0.34 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1w39 h LEU 62 Cb 2.05 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1w39 h LEU 62 CO 0.13 0.88 -0.02 0.71 0.09 0.00 0.00 178.44 180.24 1w39 h THR 63 N 1.08 0.00 -1.53 0.22 1.35 -1.39 -3.36 112.91 109.28 1w39 h THR 63 Ca 0.25 -0.80 0.44 0.00 -0.55 0.00 0.00 66.41 65.76 1w39 h THR 63 Cb 0.18 1.79 -0.06 0.00 -1.73 0.00 0.00 68.15 68.32 1w39 h THR 63 CO -0.02 0.00 1.28 0.71 -0.25 0.00 0.00 175.52 177.24 1w39 h THR 64 N 0.00 0.04 -0.57 6.82 1.35 -1.53 0.20 112.91 119.22 1w39 h THR 64 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1w39 h THR 64 Cb 0.90 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 1w39 h THR 64 CO 0.00 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.76 1w39 n PHE 65 N -3.69 1.08 -4.23 4.73 3.72 -1.26 -4.81 117.46 113.00 1w39 n PHE 65 Ca 0.34 -0.58 -0.14 0.00 -0.05 0.00 0.00 57.45 57.01 1w39 n PHE 65 Cb 1.74 -0.14 -0.10 0.00 -0.94 0.00 0.00 39.48 40.04 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 -1.54 1.23 -0.17 1.38 2.02 0.69 -0.71 117.35 120.24 1w39 s TYR 66 Ca 0.44 -0.73 0.21 0.00 -0.37 0.00 0.00 57.07 56.62 1w39 s TYR 66 Cb 0.27 -0.64 -0.11 0.00 -0.40 0.00 0.00 41.96 41.08 1w39 s TYR 66 CO 0.23 0.07 0.85 0.54 -1.57 0.00 0.00 175.55 175.67 1w39 n ARG 67 N -0.01 0.62 -4.26 -0.62 1.74 0.61 -4.55 116.66 110.19 1w39 n ARG 67 Ca -0.12 0.06 -0.19 0.00 -0.77 0.00 0.00 57.85 56.83 1w39 n ARG 67 Cb 0.60 -1.74 -0.16 0.00 -1.02 0.00 0.00 32.46 30.14 1w39 n ARG 67 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1w39 s HIS 68 N -3.31 0.76 -0.10 -1.55 3.76 -1.20 -3.55 115.29 110.09 1w39 s HIS 68 Ca -0.03 -0.19 -0.05 0.00 -0.15 0.00 0.00 55.06 54.64 1w39 s HIS 68 Cb 0.10 -0.59 0.04 0.00 1.11 0.00 0.00 32.58 33.25 1w39 s HIS 68 CO 0.82 -0.11 0.25 0.00 -0.85 0.00 0.00 174.74 174.85 1w39 s ALA 69 N 0.40 -0.56 0.04 -1.40 0.00 0.15 -2.36 121.76 118.02 1w39 s ALA 69 Ca -0.05 0.98 0.06 0.00 0.00 0.00 0.00 51.96 52.95 1w39 s ALA 69 Cb -0.09 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1w39 s ALA 69 CO 0.00 -0.19 -0.18 -1.12 0.00 0.00 0.00 175.76 174.27 1w39 s SER 70 N 1.18 2.20 -0.29 0.00 0.01 -0.96 -0.77 113.70 115.07 1w39 s SER 70 Ca -0.09 -0.48 -0.26 0.00 1.31 0.00 0.00 55.95 56.43 1w39 s SER 70 Cb -0.10 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 65.96 1w39 s SER 70 CO -0.08 0.13 0.91 -0.76 0.41 0.00 0.00 173.24 173.85 1w39 s LEU 71 N -1.08 4.04 -0.10 2.44 1.43 -0.32 -0.56 118.68 124.53 1w39 s LEU 71 Ca 0.06 0.93 -0.17 0.00 -1.03 0.00 0.00 54.13 53.91 1w39 s LEU 71 Cb -0.08 -3.29 -0.15 0.00 0.03 0.00 0.00 46.19 42.70 1w39 s LEU 71 CO 0.01 -0.68 0.55 -0.33 0.23 0.00 0.00 176.35 176.13 1w39 h GLU 72 N 7.95 -0.06 -4.44 1.70 4.39 -0.75 -3.47 114.58 119.90 1w39 h GLU 72 Ca -0.22 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.19 1w39 h GLU 72 Cb 1.08 0.01 -0.24 0.00 -0.10 0.00 0.00 28.75 29.50 1w39 h GLU 72 CO 0.94 0.45 -0.74 -1.54 -1.16 0.00 0.00 179.01 176.96 1w39 s SER 73 N -5.79 0.74 -0.18 1.42 1.04 -1.22 -4.95 113.70 104.76 1w39 s SER 73 Ca -0.11 -0.36 -0.14 0.00 0.48 0.00 0.00 55.95 55.82 1w39 s SER 73 Cb -0.01 -0.00 0.05 0.00 0.10 0.00 0.00 66.02 66.16 1w39 s SER 73 CO 0.40 -0.10 0.47 -0.22 0.98 0.00 0.00 173.24 174.78 1w39 s LEU 74 N -0.99 0.01 -0.22 2.42 1.98 -1.26 -1.03 118.68 119.59 1w39 s LEU 74 Ca -0.05 0.98 -0.27 0.00 -2.89 0.00 0.00 54.13 51.89 1w39 s LEU 74 Cb -0.07 1.59 0.12 0.00 0.66 0.00 0.00 46.19 48.50 1w39 s LEU 74 CO 0.00 -0.18 1.00 -1.66 -1.89 0.00 0.00 176.35 173.62 1w39 s TRP 75 N 0.74 -0.44 -0.02 5.38 -2.14 0.30 -1.96 118.94 120.80 1w39 s TRP 75 Ca -0.04 0.95 -0.09 0.00 2.66 0.00 0.00 56.10 59.59 1w39 s TRP 75 Cb -0.05 0.40 -0.05 0.00 -3.10 0.00 0.00 33.47 30.67 1w39 s TRP 75 CO -0.05 -0.29 0.28 0.54 -2.66 0.00 0.00 176.95 174.77 1w39 s VAL 76 N -0.35 5.27 0.00 -0.66 0.11 -0.76 -1.01 120.40 123.00 1w39 s VAL 76 Ca 0.01 0.35 0.01 0.00 -2.93 0.00 0.00 61.98 59.42 1w39 s VAL 76 Cb -0.03 -3.57 -0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1w39 s VAL 76 CO -0.02 0.47 -0.02 0.28 -3.33 0.00 0.00 175.10 172.47 1w39 s THR 77 N -1.20 0.16 -0.21 5.04 -1.32 0.10 -0.20 115.64 118.02 1w39 s THR 77 Ca 0.24 -0.23 -0.05 0.00 -1.21 0.00 0.00 61.69 60.44 1w39 s THR 77 Cb -0.14 -0.17 -0.02 0.00 -1.51 0.00 0.00 72.50 70.66 1w39 s THR 77 CO 0.13 -0.05 0.01 -0.63 -2.21 0.00 0.00 174.62 171.87 1w39 s ILE 78 N -0.28 3.94 -0.33 5.08 1.01 -0.17 -1.48 121.20 128.97 1w39 s ILE 78 Ca -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 1w39 s ILE 78 Cb -0.02 -2.80 0.06 0.00 0.01 0.00 0.00 42.46 39.71 1w39 s ILE 78 CO -0.00 0.41 0.06 -1.00 0.00 0.00 0.00 174.94 174.41 1w39 s HIS 79 N 1.19 3.32 0.32 3.97 3.76 -0.42 -1.59 115.29 125.85 1w39 s HIS 79 Ca 0.03 -1.87 -0.29 0.00 -0.15 0.00 0.00 55.06 52.78 1w39 s HIS 79 Cb -0.14 -2.36 -0.10 0.00 1.11 0.00 0.00 32.58 31.08 1w39 s HIS 79 CO 0.01 -0.82 1.30 -2.14 -0.85 0.00 0.00 174.74 172.24 1w39 s PRO 80 N 1.27 4.38 0.00 8.40 0.02 -1.26 -1.19 135.00 146.61 1w39 s PRO 80 Ca -0.02 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.18 1w39 s PRO 80 Cb -0.20 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1w39 s PRO 80 CO -0.01 -0.17 0.00 0.25 -0.33 0.00 0.00 177.00 176.74 1w39 n THR 81 N 0.95 0.00 1.04 0.99 -2.24 0.18 -4.90 114.28 110.30 1w39 n THR 81 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.88 1w39 n THR 81 Cb 0.42 -1.01 0.52 0.00 -2.10 0.00 0.00 70.33 68.16 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 -0.03 3.22 -0.00 -1.26 -2.08 117.00 116.85 1w39 n LEU 82 Ca 0.00 0.14 -0.03 0.00 -0.00 0.00 0.00 56.01 56.12 1w39 n LEU 82 Cb 0.00 -0.14 -0.13 0.00 -0.00 0.00 0.00 43.42 43.14 1w39 n LEU 82 CO 0.00 -0.06 -0.73 1.67 -0.00 0.00 0.00 177.39 178.27 1w39 n GLN 83 N -1.14 0.65 -0.32 1.47 -0.06 -1.26 -4.39 117.38 112.33 1w39 n GLN 83 Ca 0.12 0.08 0.18 0.00 -2.00 0.00 0.00 57.00 55.38 1w39 n GLN 83 Cb 0.11 -1.65 0.36 0.00 -4.06 0.00 0.00 30.24 25.00 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 1.29 1.45 0.49 1.69 0.00 -1.45 -0.10 119.26 122.63 1w39 h ALA 84 Ca -0.30 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1w39 h ALA 84 Cb 1.81 0.43 0.00 0.00 0.00 0.00 0.00 17.79 20.04 1w39 h ALA 84 CO 0.04 -0.62 -0.24 -1.35 0.00 0.00 0.00 179.25 177.08 1w39 h PRO 85 N 0.09 -0.64 0.00 0.00 0.11 -1.77 -1.62 132.00 128.17 1w39 h PRO 85 Ca 0.64 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.78 1w39 h PRO 85 Cb 1.43 0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.68 1w39 h PRO 85 CO -0.79 -0.37 -0.10 1.15 -0.21 0.00 0.00 178.00 177.69 1w39 h THR 86 N -0.77 0.35 -2.86 -1.15 2.02 -1.50 -2.83 112.91 106.17 1w39 h THR 86 Ca -0.07 -0.57 -0.59 0.00 0.77 0.00 0.00 66.41 65.95 1w39 h THR 86 Cb 0.56 1.42 -0.40 0.00 -1.74 0.00 0.00 68.15 67.99 1w39 h THR 86 CO 0.11 0.09 -0.78 -0.36 0.37 0.00 0.00 175.52 174.95 1w39 s PHE 87 N -3.95 1.41 0.44 3.16 0.40 -0.17 -4.97 117.98 114.30 1w39 s PHE 87 Ca -0.01 -1.97 -0.25 0.00 -0.60 0.00 0.00 56.93 54.10 1w39 s PHE 87 Cb 0.11 -1.47 -0.09 0.00 0.51 0.00 0.00 43.02 42.09 1w39 s PHE 87 CO 0.56 -0.81 1.31 -2.30 0.70 0.00 0.00 175.22 174.68 1w39 n PRO 88 N 3.98 1.99 -3.88 0.24 -0.02 -1.25 -4.57 135.00 131.49 1w39 n PRO 88 Ca 0.08 0.71 -0.12 0.00 -2.02 0.00 0.00 63.50 62.15 1w39 n PRO 88 Cb 0.37 -2.46 -0.13 0.00 -0.02 0.00 0.00 33.50 31.26 1w39 n PRO 88 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1w39 s THR 89 N -1.21 0.02 -0.21 3.45 2.01 0.21 -4.43 115.64 115.48 1w39 s THR 89 Ca 0.62 -0.15 -0.18 0.00 0.31 0.00 0.00 61.69 62.29 1w39 s THR 89 Cb -0.49 -0.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1w39 s THR 89 CO 0.57 -0.08 0.50 -0.89 -0.69 0.00 0.00 174.62 174.03 1w39 s THR 90 N -0.23 5.11 -0.11 -0.82 2.01 -1.11 -0.92 115.64 119.56 1w39 s THR 90 Ca -0.03 0.90 0.01 0.00 0.31 0.00 0.00 61.69 62.89 1w39 s THR 90 Cb -0.02 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.69 1w39 s THR 90 CO -0.00 0.17 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.26 1w39 s VAL 91 N 1.72 1.48 -0.05 3.82 1.01 0.30 -1.91 120.40 126.78 1w39 s VAL 91 Ca 0.23 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 1w39 s VAL 91 Cb -0.15 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1w39 s VAL 91 CO 0.09 0.44 0.04 -0.83 0.00 0.00 0.00 175.10 174.84 1w39 s GLY 92 N 1.08 1.94 -0.00 4.51 0.00 0.92 0.16 107.32 115.92 1w39 s GLY 92 Ca -0.05 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1w39 s GLY 92 CO -0.03 -0.66 -0.00 0.14 0.00 0.00 0.00 173.10 172.55 1w39 s VAL 93 N -1.03 0.03 -0.24 1.40 1.01 0.25 -1.93 120.40 119.88 1w39 s VAL 93 Ca 0.18 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.03 1w39 s VAL 93 Cb -0.12 -0.05 0.07 0.00 0.00 0.00 0.00 36.38 36.28 1w39 s VAL 93 CO 0.08 0.02 0.59 0.00 0.00 0.00 0.00 175.10 175.79 1w39 s TRP 95 N 1.43 3.37 0.04 0.00 0.52 -1.26 -1.35 118.94 121.69 1w39 s TRP 95 Ca -0.09 0.37 -0.04 0.00 0.02 0.00 0.00 56.10 56.35 1w39 s TRP 95 Cb -0.06 -2.30 -0.02 0.00 -1.15 0.00 0.00 33.47 29.94 1w39 s TRP 95 CO -0.16 0.12 0.07 0.14 0.02 0.00 0.00 176.95 177.15 1w39 s VAL 96 N 0.87 0.15 0.38 4.03 -7.23 -0.92 -4.91 120.40 112.77 1w39 s VAL 96 Ca 0.11 -1.21 -0.28 0.00 -1.81 0.00 0.00 61.98 58.79 1w39 s VAL 96 Cb -0.13 -0.97 -0.11 0.00 0.56 0.00 0.00 36.38 35.73 1w39 s VAL 96 CO 0.04 -0.67 1.49 -2.84 -0.31 0.00 0.00 175.10 172.81 1w39 s PRO 97 N -2.81 4.10 0.40 4.82 0.02 -1.26 -0.86 135.00 139.41 1w39 s PRO 97 Ca -0.03 2.57 0.15 0.00 0.02 0.00 0.00 61.00 63.72 1w39 s PRO 97 Cb 0.00 -2.96 0.84 0.00 0.02 0.00 0.00 34.50 32.39 1w39 s PRO 97 CO -0.06 -0.54 1.38 0.00 -0.33 0.00 0.00 177.00 177.46 1w39 h ALA 98 N 2.99 1.25 -0.24 -1.55 0.00 0.44 0.68 119.26 122.83 1w39 h ALA 98 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1w39 h ALA 98 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1w39 h ALA 98 CO 0.64 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1w39 n GLN 99 N -2.21 1.87 -3.24 0.00 10.64 -0.64 -4.85 117.38 118.95 1w39 n GLN 99 Ca -0.01 -1.32 -0.39 0.00 -1.83 0.00 0.00 57.00 53.45 1w39 n GLN 99 Cb 0.36 -1.39 -0.06 0.00 -0.86 0.00 0.00 30.24 28.29 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 -1.44 6.73 0.00 2.61 0.15 0.24 -4.94 113.70 117.04 1w39 s SER 100 Ca 0.32 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1w39 s SER 100 Cb 0.17 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1w39 s SER 100 CO 0.25 -0.06 0.37 -0.81 1.20 0.00 0.00 173.24 174.19 1w39 n PRO 101 N 3.93 0.52 -2.53 5.44 -0.04 -1.26 -4.87 135.00 136.19 1w39 n PRO 101 Ca -0.05 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.00 1w39 n PRO 101 Cb 0.51 -1.16 -0.04 0.00 -0.04 0.00 0.00 33.50 32.77 1w39 n PRO 101 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1w39 s VAL 102 N -1.41 3.68 -0.07 0.52 1.01 -1.26 -5.06 120.40 117.81 1w39 s VAL 102 Ca 0.00 1.62 0.02 0.00 0.00 0.00 0.00 61.98 63.62 1w39 s VAL 102 Cb 0.00 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1w39 s VAL 102 CO 0.00 0.36 -0.10 0.28 0.00 0.00 0.00 175.10 175.64 1w39 s THR 103 N -0.91 3.45 0.60 3.92 -1.32 -1.26 -5.01 115.64 115.11 1w39 s THR 103 Ca 0.45 -0.57 0.28 0.00 -1.21 0.00 0.00 61.69 60.64 1w39 s THR 103 Cb -0.30 -2.40 0.39 0.00 -1.51 0.00 0.00 72.50 68.68 1w39 s THR 103 CO 0.38 0.59 1.67 1.55 -2.21 0.00 0.00 174.62 176.59 1w39 h PRO 104 N 5.43 0.00 0.00 7.08 0.13 -1.87 1.07 132.00 143.84 1w39 h PRO 104 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1w39 h PRO 104 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1w39 h PRO 104 CO 0.52 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.29 1w39 n ALA 105 N -2.30 1.59 -2.32 -0.56 0.00 -1.26 -2.59 120.51 113.08 1w39 n ALA 105 Ca 0.14 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.47 1w39 n ALA 105 Cb 1.00 -1.21 0.06 0.00 0.00 0.00 0.00 19.45 19.30 1w39 n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1w39 n GLN 106 N -1.53 2.16 -0.07 0.00 10.64 0.37 -4.84 117.38 124.11 1w39 n GLN 106 Ca 0.03 -3.51 -0.10 0.00 -1.83 0.00 0.00 57.00 51.59 1w39 n GLN 106 Cb 0.15 -1.63 -0.03 0.00 -0.86 0.00 0.00 30.24 27.87 1w39 n GLN 106 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1w39 h ILE 107 N 3.91 1.15 0.00 -0.39 2.04 -1.53 -2.40 117.51 120.28 1w39 h ILE 107 Ca 0.05 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1w39 h ILE 107 Cb 1.42 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1w39 h ILE 107 CO 0.35 0.15 0.00 0.35 0.00 0.00 0.00 178.15 179.01 1w39 n THR 108 N -4.82 0.00 0.09 -0.27 -2.24 -1.26 -0.37 114.28 105.41 1w39 n THR 108 Ca -0.03 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1w39 n THR 108 Cb 0.11 -0.32 -0.00 0.00 -2.10 0.00 0.00 70.33 68.02 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 -0.53 2.78 -3.72 -0.78 5.02 -0.91 -4.97 118.16 115.05 1w39 n LYS 109 Ca 0.01 -0.32 -0.37 0.00 -2.02 0.00 0.00 58.31 55.61 1w39 n LYS 109 Cb 0.00 -0.82 -0.12 0.00 -0.02 0.00 0.00 35.03 34.07 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 -0.68 4.60 0.00 -0.18 2.01 0.50 -5.02 115.64 116.86 1w39 s THR 110 Ca 0.02 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1w39 s THR 110 Cb 0.02 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.36 1w39 s THR 110 CO 0.05 0.32 0.00 0.00 -0.69 0.00 0.00 174.62 174.30 1w39 n TYR 111 N 4.92 0.00 0.08 4.92 9.36 -1.26 -1.19 117.16 133.99 1w39 n TYR 111 Ca -0.16 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 60.94 1w39 n TYR 111 Cb 0.52 -0.09 -0.09 0.00 -0.63 0.00 0.00 39.34 39.05 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 -0.21 -0.14 2.98 0.00 -1.89 -3.47 103.07 100.33 1w39 h GLY 112 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1w39 h GLY 112 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.08 1w39 n GLY 113 N -0.22 -0.00 3.17 4.60 0.00 -0.33 -4.65 105.19 107.76 1w39 n GLY 113 Ca -0.09 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1w39 n GLY 113 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1w39 s GLN 114 N 0.01 0.87 -0.03 1.61 -2.07 -0.33 -4.68 119.66 115.03 1w39 s GLN 114 Ca 0.02 -1.36 0.02 0.00 -1.82 0.00 0.00 55.36 52.21 1w39 s GLN 114 Cb -0.03 -0.16 0.01 0.00 -1.09 0.00 0.00 33.01 31.75 1w39 s GLN 114 CO 0.01 -0.06 -0.06 0.96 -1.32 0.00 0.00 175.29 174.83 1w39 s ILE 115 N -3.68 0.58 0.31 3.63 -4.36 -1.26 0.85 121.20 117.27 1w39 s ILE 115 Ca 0.14 -0.21 0.09 0.00 -0.26 0.00 0.00 60.65 60.41 1w39 s ILE 115 Cb 0.06 -0.56 -0.04 0.00 1.25 0.00 0.00 42.46 43.16 1w39 s ILE 115 CO -0.03 0.21 0.06 -0.36 0.24 0.00 0.00 174.94 175.05 1w39 s PHE 116 N 0.50 2.68 -0.72 1.37 0.08 0.42 -4.92 117.98 117.39 1w39 s PHE 116 Ca -0.07 -0.32 0.03 0.00 0.12 0.00 0.00 56.93 56.69 1w39 s PHE 116 Cb -0.11 -1.42 0.30 0.00 -0.57 0.00 0.00 43.02 41.23 1w39 s PHE 116 CO 0.00 0.49 1.08 0.00 -0.10 0.00 0.00 175.22 176.69 1w39 n ILE 118 N 0.32 0.31 0.00 0.00 -0.00 -0.10 -4.62 119.36 115.27 1w39 n ILE 118 Ca 0.32 -0.43 0.00 0.00 -0.00 0.00 0.00 62.75 62.65 1w39 n ILE 118 Cb 0.37 -2.39 0.00 0.00 -0.00 0.00 0.00 39.64 37.62 1w39 n ILE 118 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1w39 n GLY 119 N 5.92 2.95 0.00 7.39 0.00 -1.26 -0.62 105.19 119.58 1w39 n GLY 119 Ca 0.32 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.02 1.63 0.27 -0.02 0.00 -0.62 -4.40 105.19 102.03 1w39 n GLY 120 Ca 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 46.02 45.33 1w39 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w39 n ALA 121 N 0.26 0.15 0.93 4.61 0.00 -1.17 -0.21 120.51 125.08 1w39 n ALA 121 Ca 0.00 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.57 1w39 n ALA 121 Cb 0.00 -0.09 0.45 0.00 0.00 0.00 0.00 19.45 19.80 1w39 n ALA 121 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1w39 n ILE 122 N -2.11 0.02 -3.83 0.00 0.13 -1.26 -4.85 119.36 107.46 1w39 n ILE 122 Ca 0.04 0.01 -0.07 0.00 -1.10 0.00 0.00 62.75 61.62 1w39 n ILE 122 Cb 0.81 -0.77 0.00 0.00 -0.84 0.00 0.00 39.64 38.84 1w39 n ILE 122 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1w39 s GLN 123 N -2.02 1.91 0.59 9.51 1.03 0.71 -5.16 119.66 126.22 1w39 s GLN 123 Ca 0.22 -1.14 -0.18 0.00 0.04 0.00 0.00 55.36 54.30 1w39 s GLN 123 Cb 0.10 0.59 -0.13 0.00 0.03 0.00 0.00 33.01 33.60 1w39 s GLN 123 CO 0.18 -0.88 -0.06 2.41 -2.54 0.00 0.00 175.29 174.39 1w39 n THR 124 N -0.50 0.47 -0.83 3.63 -1.04 -1.26 -4.79 114.28 109.96 1w39 n THR 124 Ca -0.06 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 1w39 n THR 124 Cb 0.59 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1w39 n THR 124 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1w39 n LEU 125 N 2.11 0.56 -4.76 -4.42 4.77 -1.26 -4.59 117.00 109.41 1w39 n LEU 125 Ca 0.07 -0.66 -0.38 0.00 -0.03 0.00 0.00 56.01 55.01 1w39 n LEU 125 Cb 0.48 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1w39 n LEU 125 CO 0.53 0.16 0.94 -0.44 -1.33 0.00 0.00 177.39 177.26 1w39 s SER 126 N -0.41 5.77 0.00 -1.43 0.01 -1.26 -4.48 113.70 111.91 1w39 s SER 126 Ca 0.01 2.62 -0.34 0.00 1.31 0.00 0.00 55.95 59.55 1w39 s SER 126 Cb 0.01 -2.63 -0.13 0.00 0.21 0.00 0.00 66.02 63.48 1w39 s SER 126 CO 0.00 -1.22 1.76 -2.65 0.41 0.00 0.00 173.24 171.55 1w39 n PRO 127 N -0.59 2.14 -3.09 12.44 -0.02 -1.26 -4.54 135.00 140.08 1w39 n PRO 127 Ca 0.08 0.78 -0.37 0.00 -2.02 0.00 0.00 63.50 61.97 1w39 n PRO 127 Cb 0.45 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 31.28 1w39 n PRO 127 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1w39 s LEU 128 N 2.89 4.42 -0.07 2.45 0.20 -0.62 -1.95 118.68 126.00 1w39 s LEU 128 Ca 0.88 1.46 0.01 0.00 0.69 0.00 0.00 54.13 57.17 1w39 s LEU 128 Cb -0.70 -3.46 0.02 0.00 -0.43 0.00 0.00 46.19 41.62 1w39 s LEU 128 CO 0.47 0.09 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.91 1w39 s ILE 129 N -1.40 0.89 -0.43 6.68 1.09 -0.79 -1.00 121.20 126.24 1w39 s ILE 129 Ca 0.40 -0.29 0.03 0.00 -1.10 0.00 0.00 60.65 59.69 1w39 s ILE 129 Cb -0.18 -0.87 0.12 0.00 -1.06 0.00 0.00 42.46 40.46 1w39 s ILE 129 CO 0.22 0.32 0.17 -0.69 -0.10 0.00 0.00 174.94 174.85 1w39 s VAL 130 N 1.11 2.60 0.05 2.92 1.01 0.72 -2.31 120.40 126.51 1w39 s VAL 130 Ca -0.07 -2.70 -0.31 0.00 0.00 0.00 0.00 61.98 58.91 1w39 s VAL 130 Cb -0.14 -2.85 -0.07 0.00 0.00 0.00 0.00 36.38 33.32 1w39 s VAL 130 CO -0.01 -0.70 1.46 -0.54 0.00 0.00 0.00 175.10 175.31 1w39 s LYS 131 N 0.45 4.27 -0.13 2.72 1.02 -1.26 -1.83 119.74 124.98 1w39 s LYS 131 Ca 0.13 2.09 -0.29 0.00 0.02 0.00 0.00 55.97 57.91 1w39 s LYS 131 Cb -0.22 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.58 1w39 s LYS 131 CO -0.05 -0.58 1.40 0.00 -0.92 0.00 0.00 175.35 175.21 1w39 s PRO 133 N 3.70 2.53 0.35 0.00 0.04 -1.26 -4.74 135.00 135.62 1w39 s PRO 133 Ca 0.61 -0.27 0.25 0.00 0.04 0.00 0.00 61.00 61.63 1w39 s PRO 133 Cb -0.26 -5.06 1.26 0.00 0.04 0.00 0.00 34.50 30.49 1w39 s PRO 133 CO 0.20 -3.40 1.76 -0.07 0.04 0.00 0.00 177.00 175.53 1w39 h LEU 134 N 17.98 0.00 -1.34 -3.56 3.38 -1.91 0.68 115.31 130.54 1w39 h LEU 134 Ca 0.09 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1w39 h LEU 134 Cb 1.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 1w39 h LEU 134 CO 1.20 0.00 0.47 -0.33 0.09 0.00 0.00 178.44 179.88 1w39 h GLU 135 N 0.00 0.83 0.05 1.13 3.07 -1.94 -2.84 114.58 114.88 1w39 h GLU 135 Ca 0.00 -0.05 -0.32 0.00 -0.50 0.00 0.00 59.36 58.49 1w39 h GLU 135 Cb 0.12 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 27.81 1w39 h GLU 135 CO 0.00 0.55 -1.78 0.52 -1.40 0.00 0.00 179.01 176.90 1w39 h MET 136 N 0.86 0.11 0.00 2.33 2.86 -1.07 -3.43 114.93 116.58 1w39 h MET 136 Ca 0.29 -0.18 -0.27 0.00 -2.06 0.00 0.00 59.70 57.48 1w39 h MET 136 Cb 0.07 0.07 0.12 0.00 0.06 0.00 0.00 31.60 31.91 1w39 h MET 136 CO -0.08 0.78 0.20 -1.33 1.06 0.00 0.00 176.91 177.54 1w39 n MET 137 N -3.22 -1.41 -3.73 1.72 2.81 -1.04 -4.85 117.12 107.40 1w39 n MET 137 Ca -0.22 -1.24 -0.36 0.00 -1.81 0.00 0.00 57.70 54.08 1w39 n MET 137 Cb 1.05 -0.94 -0.10 0.00 -0.71 0.00 0.00 33.22 32.52 1w39 n MET 137 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1w39 s GLN 138 N -4.75 2.51 0.58 0.03 -0.44 -0.77 -4.83 119.66 111.99 1w39 s GLN 138 Ca 0.47 -2.49 0.32 0.00 -2.50 0.00 0.00 55.36 51.15 1w39 s GLN 138 Cb -0.02 -3.71 1.35 0.00 -1.64 0.00 0.00 33.01 28.99 1w39 s GLN 138 CO 0.34 -1.16 1.67 -1.00 0.50 0.00 0.00 175.29 175.64 1w39 h PRO 139 N 7.06 0.00 -5.46 1.67 0.13 -1.89 -3.36 132.00 130.17 1w39 h PRO 139 Ca -0.02 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.92 1w39 h PRO 139 Cb 0.95 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.06 1w39 h PRO 139 CO 0.71 0.00 0.51 1.03 -0.23 0.00 0.00 178.00 180.02 1w39 s ARG 140 N -4.65 2.05 0.48 0.86 1.81 -1.26 -1.18 118.95 117.06 1w39 s ARG 140 Ca -0.04 -0.33 0.27 0.00 -1.72 0.00 0.00 55.73 53.91 1w39 s ARG 140 Cb 0.18 -5.02 1.01 0.00 -0.45 0.00 0.00 34.95 30.66 1w39 s ARG 140 CO 0.61 -4.18 1.85 -0.24 -0.68 0.00 0.00 175.30 172.66 1w39 h VAL 141 N 7.01 0.29 -2.64 3.52 3.04 -1.26 -3.44 116.25 122.78 1w39 h VAL 141 Ca 0.09 -0.91 -0.12 0.00 -1.01 0.00 0.00 66.70 64.75 1w39 h VAL 141 Cb 0.99 1.71 -0.27 0.00 -2.01 0.00 0.00 31.29 31.71 1w39 h VAL 141 CO 1.13 0.12 -0.32 -0.75 -1.01 0.00 0.00 177.57 176.74 1w39 s LYS 142 N -3.59 0.37 0.00 4.17 2.20 0.05 -4.90 119.74 118.04 1w39 s LYS 142 Ca 0.02 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.45 1w39 s LYS 142 Cb 0.09 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.44 1w39 s LYS 142 CO 0.61 -0.18 0.00 -3.47 -0.36 0.00 0.00 175.35 171.95 1w39 n ASP 143 N 4.48 0.00 0.18 1.43 2.03 -1.23 0.34 116.55 123.78 1w39 n ASP 143 Ca -0.20 -0.29 0.10 0.00 0.52 0.00 0.00 54.79 54.92 1w39 n ASP 143 Cb 0.54 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 41.05 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 -4.84 1.67 0.02 -2.01 -3.45 113.55 104.93 1w39 h SER 144 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1w39 h SER 144 Cb 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 1w39 h SER 144 CO 0.00 0.12 -0.36 2.30 -1.14 0.00 0.00 176.83 177.75 1w39 n ILE 145 N -3.06 0.00 -3.09 3.27 -5.35 -1.26 -5.09 119.36 104.78 1w39 n ILE 145 Ca 0.03 -1.94 -0.33 0.00 -0.27 0.00 0.00 62.75 60.24 1w39 n ILE 145 Cb 0.58 0.28 -0.03 0.00 -1.74 0.00 0.00 39.64 38.73 1w39 n ILE 145 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1w39 n GLN 146 N -1.16 3.61 -1.12 6.28 -0.06 -1.26 -5.00 117.38 118.67 1w39 n GLN 146 Ca -0.14 -4.69 -0.36 0.00 -2.00 0.00 0.00 57.00 49.81 1w39 n GLN 146 Cb 0.53 -2.35 0.07 0.00 -4.06 0.00 0.00 30.24 24.43 1w39 n GLN 146 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1w39 n TYR 147 N 0.57 -2.06 -0.11 3.69 4.01 -1.26 -4.93 117.16 117.06 1w39 n TYR 147 Ca 0.32 0.27 0.00 0.00 -0.16 0.00 0.00 57.90 58.32 1w39 n TYR 147 Cb 0.36 -1.77 0.00 0.00 -0.31 0.00 0.00 39.34 37.63 1w39 n TYR 147 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87 1w39 n LEU 148 N 0.61 1.07 -0.47 7.72 -0.00 -1.26 -4.53 117.00 120.13 1w39 n LEU 148 Ca 0.07 -1.07 0.13 0.00 -0.00 0.00 0.00 56.01 55.13 1w39 n LEU 148 Cb 0.51 0.00 0.49 0.00 -0.00 0.00 0.00 43.42 44.42 1w39 n LEU 148 CO 0.51 0.27 0.84 0.47 -0.00 0.00 0.00 177.39 179.48 1w39 n ASP 149 N -0.09 1.44 -4.44 1.45 9.92 -1.26 -1.63 116.55 121.94 1w39 n ASP 149 Ca 0.00 -1.56 -0.44 0.00 -0.53 0.00 0.00 54.79 52.26 1w39 n ASP 149 Cb 0.08 -0.04 -0.01 0.00 -0.64 0.00 0.00 41.12 40.51 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 0.14 -0.88 -4.73 -2.24 2.88 -1.26 -1.85 113.62 105.69 1w39 n SER 150 Ca 0.18 1.01 -0.42 0.00 -1.33 0.00 0.00 58.87 58.31 1w39 n SER 150 Cb 0.32 -1.06 -0.02 0.00 -0.75 0.00 0.00 64.21 62.69 1w39 n SER 150 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1w39 s PRO 151 N -1.32 4.15 -0.03 -1.46 0.04 -1.26 0.30 135.00 135.43 1w39 s PRO 151 Ca 0.62 2.54 0.06 0.00 0.04 0.00 0.00 61.00 64.25 1w39 s PRO 151 Cb -0.72 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 30.73 1w39 s PRO 151 CO 0.59 -0.66 -0.19 0.21 0.04 0.00 0.00 177.00 176.98 1w39 s LYS 152 N 0.47 1.72 -0.20 4.56 2.20 -0.04 -2.01 119.74 126.44 1w39 s LYS 152 Ca 0.69 -0.69 -0.06 0.00 -0.36 0.00 0.00 55.97 55.54 1w39 s LYS 152 Cb -0.48 -1.59 -0.03 0.00 -1.51 0.00 0.00 37.83 34.22 1w39 s LYS 152 CO 0.38 0.37 0.04 -1.17 -0.36 0.00 0.00 175.35 174.61 1w39 s LEU 153 N -0.30 3.50 -0.20 5.43 0.20 0.47 -2.16 118.68 125.62 1w39 s LEU 153 Ca 0.03 -0.10 -0.05 0.00 0.69 0.00 0.00 54.13 54.70 1w39 s LEU 153 Cb -0.09 -1.90 -0.02 0.00 -0.43 0.00 0.00 46.19 43.75 1w39 s LEU 153 CO 0.00 0.08 0.00 -0.76 -0.29 0.00 0.00 176.35 175.39 1w39 s LEU 154 N 0.92 3.24 0.00 -0.68 1.02 -0.45 -1.29 118.68 121.43 1w39 s LEU 154 Ca 0.03 -0.22 0.04 0.00 0.02 0.00 0.00 54.13 54.00 1w39 s LEU 154 Cb -0.14 -1.82 -0.01 0.00 0.02 0.00 0.00 46.19 44.23 1w39 s LEU 154 CO 0.02 0.05 -0.14 -0.63 0.02 0.00 0.00 176.35 175.68 1w39 s ILE 155 N 1.07 1.09 -0.02 -0.59 1.01 0.31 -1.58 121.20 122.49 1w39 s ILE 155 Ca 0.02 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1w39 s ILE 155 Cb -0.14 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.41 1w39 s ILE 155 CO 0.01 0.24 -0.06 -0.94 0.00 0.00 0.00 174.94 174.19 1w39 s SER 156 N -0.50 0.85 -0.10 3.58 1.04 -0.81 0.21 113.70 117.96 1w39 s SER 156 Ca 0.04 -0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.32 1w39 s SER 156 Cb -0.06 -0.21 0.04 0.00 0.10 0.00 0.00 66.02 65.90 1w39 s SER 156 CO -0.00 0.04 0.07 -0.63 0.98 0.00 0.00 173.24 173.69 1w39 s ILE 157 N 0.19 -0.03 -0.36 -1.02 1.01 -0.13 -0.06 121.20 120.80 1w39 s ILE 157 Ca -0.02 0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.63 1w39 s ILE 157 Cb -0.07 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.02 1w39 s ILE 157 CO -0.00 -0.01 0.23 0.42 0.00 0.00 0.00 174.94 175.57 1w39 s THR 158 N 2.13 4.95 0.72 2.92 -4.23 -0.80 -0.37 115.64 120.95 1w39 s THR 158 Ca 0.04 -0.52 -0.10 0.00 -1.18 0.00 0.00 61.69 59.93 1w39 s THR 158 Cb -0.14 -3.64 0.04 0.00 1.34 0.00 0.00 72.50 70.11 1w39 s THR 158 CO -0.06 -0.11 1.08 0.00 -0.54 0.00 0.00 174.62 174.99 1w39 s ALA 159 N 1.65 2.92 0.56 3.99 0.00 -1.26 -2.77 121.76 126.84 1w39 s ALA 159 Ca 0.05 -0.59 -0.21 0.00 0.00 0.00 0.00 51.96 51.20 1w39 s ALA 159 Cb -0.18 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1w39 s ALA 159 CO 0.08 -1.29 1.33 0.94 0.00 0.00 0.00 175.76 176.83 1w39 n GLN 160 N -3.03 1.58 -0.19 0.00 -0.06 -1.25 -4.81 117.38 109.61 1w39 n GLN 160 Ca 0.07 0.59 -0.02 0.00 -2.00 0.00 0.00 57.00 55.64 1w39 n GLN 160 Cb 0.59 -2.55 0.09 0.00 -4.06 0.00 0.00 30.24 24.31 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 1.27 0.45 -3.33 3.69 0.13 -1.95 -2.88 132.00 129.39 1w39 h PRO 161 Ca -0.51 -0.03 -0.78 0.00 -0.87 0.00 0.00 66.00 63.81 1w39 h PRO 161 Cb 1.31 -0.10 -0.29 0.00 0.13 0.00 0.00 31.00 32.05 1w39 h PRO 161 CO 0.56 0.30 0.43 0.25 -0.23 0.00 0.00 178.00 179.31 1w39 n THR 162 N -4.94 4.48 -0.72 1.56 -2.24 -1.26 -5.04 114.28 106.12 1w39 n THR 162 Ca 0.07 -5.48 -0.22 0.00 -2.27 0.00 0.00 64.05 56.15 1w39 n THR 162 Cb 0.22 -2.42 0.01 0.00 -2.10 0.00 0.00 70.33 66.04 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 2.23 -2.39 -1.99 6.98 0.00 -1.09 -4.96 120.51 119.29 1w39 n ALA 163 Ca 0.24 -0.02 -0.29 0.00 0.00 0.00 0.00 53.44 53.38 1w39 n ALA 163 Cb 0.37 -0.81 0.03 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.57 2.99 0.22 0.00 0.04 -1.26 -4.98 135.00 131.44 1w39 s PRO 164 Ca 0.33 0.29 -0.08 0.00 0.04 0.00 0.00 61.00 61.57 1w39 s PRO 164 Cb -0.29 -2.15 0.25 0.00 0.04 0.00 0.00 34.50 32.35 1w39 s PRO 164 CO 0.38 -0.81 1.84 -1.00 0.04 0.00 0.00 177.00 177.45 1w39 h PRO 165 N -0.38 0.81 0.00 0.56 0.13 -1.96 -3.45 132.00 127.71 1w39 h PRO 165 Ca -0.45 -0.05 -0.32 0.00 -0.87 0.00 0.00 66.00 64.31 1w39 h PRO 165 Cb 1.25 -0.18 -0.08 0.00 0.13 0.00 0.00 31.00 32.12 1w39 h PRO 165 CO 0.62 0.54 -0.29 0.00 -0.23 0.00 0.00 178.00 178.64 1w39 n ALA 166 N -2.34 0.39 -1.74 -0.56 0.00 -1.26 -5.08 120.51 109.92 1w39 n ALA 166 Ca 0.09 -1.25 -0.38 0.00 0.00 0.00 0.00 53.44 51.91 1w39 n ALA 166 Cb 0.14 0.90 0.05 0.00 0.00 0.00 0.00 19.45 20.55 1w39 n ALA 166 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1w39 s SER 167 N -2.50 5.07 0.01 0.00 0.01 -1.26 -4.49 113.70 110.53 1w39 s SER 167 Ca 0.17 2.75 0.23 0.00 1.31 0.00 0.00 55.95 60.41 1w39 s SER 167 Cb 0.01 -2.63 0.09 0.00 0.21 0.00 0.00 66.02 63.70 1w39 s SER 167 CO 0.12 -1.71 1.11 0.35 0.41 0.00 0.00 173.24 173.53 1w39 n THR 168 N -1.27 0.02 -3.55 1.44 -2.24 0.38 -4.39 114.28 104.68 1w39 n THR 168 Ca 0.12 -0.04 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1w39 n THR 168 Cb 0.46 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 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 -1.98 3.49 -0.29 0.00 1.01 -0.33 -2.24 121.20 120.86 1w39 s ILE 170 Ca 0.02 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 1w39 s ILE 170 Cb -0.01 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.97 1w39 s ILE 170 CO -0.03 0.51 0.07 -0.63 0.00 0.00 0.00 174.94 174.86 1w39 s ILE 171 N 0.29 3.93 0.32 2.92 1.01 -0.71 -1.29 121.20 127.66 1w39 s ILE 171 Ca -0.06 -0.68 0.10 0.00 0.00 0.00 0.00 60.65 60.01 1w39 s ILE 171 Cb -0.15 -3.02 -0.06 0.00 0.01 0.00 0.00 42.46 39.25 1w39 s ILE 171 CO 0.04 0.10 -0.14 0.42 0.00 0.00 0.00 174.94 175.36 1w39 s THR 172 N 1.50 2.32 -0.07 2.92 -4.23 -0.55 0.36 115.64 117.89 1w39 s THR 172 Ca 0.03 -2.29 0.04 0.00 -1.18 0.00 0.00 61.69 58.29 1w39 s THR 172 Cb -0.17 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1w39 s THR 172 CO 0.02 -0.29 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.92 1w39 s VAL 173 N -2.58 1.71 0.25 2.29 1.01 0.17 -0.72 120.40 122.53 1w39 s VAL 173 Ca 0.31 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1w39 s VAL 173 Cb -0.01 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1w39 s VAL 173 CO 0.16 0.48 -0.15 -0.44 0.00 0.00 0.00 175.10 175.15 1w39 s SER 174 N 0.28 3.05 0.00 3.32 0.01 -0.18 -0.30 113.70 119.87 1w39 s SER 174 Ca -0.13 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.08 1w39 s SER 174 Cb -0.16 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.86 1w39 s SER 174 CO 0.06 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1w39 n GLY 175 N -0.52 -1.27 2.91 3.44 0.00 0.01 -0.54 105.19 109.22 1w39 n GLY 175 Ca -0.06 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.92 -0.05 0.14 2.61 2.01 -0.20 -0.38 115.64 116.85 1w39 s THR 176 Ca 0.00 0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.20 1w39 s THR 176 Cb 0.00 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 1w39 s THR 176 CO 0.00 0.07 0.20 -0.76 -0.69 0.00 0.00 174.62 173.44 1w39 s LEU 177 N 1.08 4.09 -0.38 4.42 1.43 0.28 -0.00 118.68 129.59 1w39 s LEU 177 Ca -0.08 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1w39 s LEU 177 Cb -0.11 -2.69 0.11 0.00 0.03 0.00 0.00 46.19 43.54 1w39 s LEU 177 CO -0.05 0.09 0.13 -0.55 0.23 0.00 0.00 176.35 176.20 1w39 s SER 178 N -3.00 4.27 0.25 2.29 0.15 0.28 -0.69 113.70 117.24 1w39 s SER 178 Ca 0.33 -2.23 0.08 0.00 0.70 0.00 0.00 55.95 54.82 1w39 s SER 178 Cb -0.11 -1.29 -0.04 0.00 -1.71 0.00 0.00 66.02 62.87 1w39 s SER 178 CO 0.26 -0.34 0.09 -0.04 1.20 0.00 0.00 173.24 174.41 1w39 s MET 179 N 0.82 2.62 -0.16 5.44 1.00 -0.39 -2.26 119.30 126.36 1w39 s MET 179 Ca 0.13 -1.20 -0.32 0.00 0.00 0.00 0.00 55.69 54.30 1w39 s MET 179 Cb -0.21 -2.38 0.14 0.00 0.00 0.00 0.00 34.83 32.38 1w39 s MET 179 CO -0.10 0.39 1.12 -3.38 0.00 0.00 0.00 175.02 173.05 1w39 s HIS 180 N -2.17 -0.21 -0.03 -0.03 -3.43 -1.00 -1.52 115.29 106.90 1w39 s HIS 180 Ca 0.32 0.23 -0.01 0.00 -0.80 0.00 0.00 55.06 54.80 1w39 s HIS 180 Cb -0.07 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.58 1w39 s HIS 180 CO 0.22 -0.28 0.01 0.45 -2.00 0.00 0.00 174.74 173.15 1w39 n SER 181 N 0.16 -2.36 -4.76 7.38 2.88 -1.26 -3.27 113.62 112.39 1w39 n SER 181 Ca -0.04 0.18 -0.39 0.00 -1.33 0.00 0.00 58.87 57.30 1w39 n SER 181 Cb 0.59 -1.57 0.03 0.00 -0.75 0.00 0.00 64.21 62.51 1w39 n SER 181 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1w39 s PRO 182 N -0.53 3.41 -0.34 -1.46 0.04 -1.26 -0.29 135.00 134.57 1w39 s PRO 182 Ca -0.02 2.31 -0.09 0.00 0.04 0.00 0.00 61.00 63.24 1w39 s PRO 182 Cb 0.00 -2.45 0.02 0.00 0.04 0.00 0.00 34.50 32.11 1w39 s PRO 182 CO 0.10 -1.00 0.16 -1.17 0.04 0.00 0.00 177.00 175.13 1w39 s LEU 183 N -3.14 4.37 -0.15 -3.56 0.20 0.11 -4.60 118.68 111.90 1w39 s LEU 183 Ca 0.66 -0.85 -0.33 0.00 0.69 0.00 0.00 54.13 54.31 1w39 s LEU 183 Cb -0.42 -1.97 -0.10 0.00 -0.43 0.00 0.00 46.19 43.27 1w39 s LEU 183 CO 0.51 -0.30 2.03 -0.38 -0.29 0.00 0.00 176.35 177.92 1w39 n ILE 184 N 4.95 0.48 -3.77 6.68 5.41 -1.26 -4.71 119.36 127.13 1w39 n ILE 184 Ca -0.13 -0.22 -0.08 0.00 1.00 0.00 0.00 62.75 63.33 1w39 n ILE 184 Cb 0.47 -2.03 -0.01 0.00 -0.71 0.00 0.00 39.64 37.35 1w39 n ILE 184 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1w39 n THR 185 N 6.15 0.00 -2.87 1.39 5.66 -1.26 -5.12 114.28 118.23 1w39 n THR 185 Ca 0.27 -0.92 -0.42 0.00 -3.05 0.00 0.00 64.05 59.93 1w39 n THR 185 Cb 0.33 0.61 -0.04 0.00 -1.55 0.00 0.00 70.33 69.67 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 -2.21 6.75 0.00 1.09 2.15 -1.26 -4.90 116.67 118.29 1w39 s ASP 186 Ca 0.15 0.81 0.25 0.00 0.43 0.00 0.00 52.55 54.19 1w39 s ASP 186 Cb -0.01 -2.44 0.37 0.00 -0.30 0.00 0.00 42.92 40.54 1w39 s ASP 186 CO 0.11 -0.65 1.36 0.35 -0.17 0.00 0.00 175.17 176.16 1w39 n THR 187 N 5.55 0.00 -0.31 1.71 -2.24 -1.26 -4.33 114.28 113.40 1w39 n THR 187 Ca 0.06 -0.43 0.16 0.00 -2.27 0.00 0.00 64.05 61.56 1w39 n THR 187 Cb 0.48 1.26 0.33 0.00 -2.10 0.00 0.00 70.33 70.30 1w39 n THR 187 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1w39 h SER 188 N 4.04 0.06 0.00 3.42 0.87 -2.08 -3.56 113.55 116.31 1w39 h SER 188 Ca 0.00 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1w39 h SER 188 Cb 0.87 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1w39 h SER 188 CO 0.00 -0.18 0.00 0.35 -0.53 0.00 0.00 176.83 176.47