#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u95 s ILE 2 N 0.00 5.29 0.02 5.15 1.01 -1.26 -3.99 121.20 127.42 1u95 s ILE 2 Ca 0.00 0.59 0.01 0.00 0.00 0.00 0.00 60.65 61.25 1u95 s ILE 2 Cb 0.00 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1u95 s ILE 2 CO 0.00 0.40 -0.04 0.42 0.00 0.00 0.00 174.94 175.72 1u95 s THR 3 N 0.36 0.26 0.06 2.92 -4.23 -0.94 -4.99 115.64 109.08 1u95 s THR 3 Ca 0.18 -0.80 0.03 0.00 -1.18 0.00 0.00 61.69 59.92 1u95 s THR 3 Cb -0.13 -0.35 -0.03 0.00 1.34 0.00 0.00 72.50 73.33 1u95 s THR 3 CO 0.05 -0.35 -0.10 -0.76 -0.54 0.00 0.00 174.62 172.91 1u95 s LEU 4 N -1.21 2.29 -0.13 4.79 1.02 -1.26 -1.55 118.68 122.63 1u95 s LEU 4 Ca -0.11 -0.63 -0.07 0.00 0.02 0.00 0.00 54.13 53.35 1u95 s LEU 4 Cb -0.08 -0.31 0.05 0.00 0.02 0.00 0.00 46.19 45.87 1u95 s LEU 4 CO -0.00 -0.17 0.31 -0.75 0.02 0.00 0.00 176.35 175.75 1u95 s LYS 5 N -1.89 0.27 0.18 1.70 2.20 -0.60 -4.10 119.74 117.51 1u95 s LYS 5 Ca -0.04 0.63 -0.18 0.00 -0.36 0.00 0.00 55.97 56.02 1u95 s LYS 5 Cb -0.08 -0.08 -0.08 0.00 -1.51 0.00 0.00 37.83 36.08 1u95 s LYS 5 CO 0.01 -0.16 0.65 -1.21 -0.36 0.00 0.00 175.35 174.27 1u95 s GLU 6 N 1.34 4.16 0.04 4.03 8.01 -1.26 -1.28 118.70 133.73 1u95 s GLU 6 Ca -0.09 0.73 -0.06 0.00 0.01 0.00 0.00 54.97 55.56 1u95 s GLU 6 Cb -0.10 -2.95 -0.01 0.00 -4.31 0.00 0.00 34.13 26.76 1u95 s GLU 6 CO -0.10 0.46 0.10 -1.54 0.01 0.00 0.00 175.26 174.19 1u95 s SER 7 N -1.60 0.17 0.00 -0.19 1.04 0.41 -4.82 113.70 108.72 1u95 s SER 7 Ca 0.39 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1u95 s SER 7 Cb -0.17 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1u95 s SER 7 CO 0.20 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1u95 n GLY 8 N 0.77 -1.67 3.74 7.32 0.00 -1.26 -0.99 105.19 113.10 1u95 n GLY 8 Ca -0.19 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 1u95 n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u95 s PRO 9 N -2.00 4.60 0.39 1.61 0.04 -1.26 -4.93 135.00 133.44 1u95 s PRO 9 Ca 0.00 1.74 0.21 0.00 0.04 0.00 0.00 61.00 62.99 1u95 s PRO 9 Cb 0.00 -3.26 0.47 0.00 0.04 0.00 0.00 34.50 31.75 1u95 s PRO 9 CO 0.00 0.09 1.63 -1.00 0.04 0.00 0.00 177.00 177.76 1u95 h PRO 10 N 4.91 0.00 -5.33 0.56 0.13 -1.95 -3.45 132.00 126.88 1u95 h PRO 10 Ca -0.45 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.13 1u95 h PRO 10 Cb 1.21 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.03 1u95 h PRO 10 CO 0.72 0.24 -0.83 -0.51 -0.23 0.00 0.00 178.00 177.38 1u95 s LEU 11 N -6.44 1.93 -0.01 1.56 1.02 -1.26 -0.32 118.68 115.15 1u95 s LEU 11 Ca 0.04 -0.34 -0.05 0.00 0.02 0.00 0.00 54.13 53.79 1u95 s LEU 11 Cb 0.08 -0.94 0.00 0.00 0.02 0.00 0.00 46.19 45.34 1u95 s LEU 11 CO 0.68 0.16 0.12 -0.69 0.02 0.00 0.00 176.35 176.63 1u95 s VAL 12 N -0.02 0.06 0.14 -1.59 1.01 -0.02 -4.95 120.40 115.03 1u95 s VAL 12 Ca -0.02 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1u95 s VAL 12 Cb -0.11 -0.33 -0.06 0.00 0.00 0.00 0.00 36.38 35.89 1u95 s VAL 12 CO 0.02 -0.26 0.42 -0.54 0.00 0.00 0.00 175.10 174.73 1u95 s LYS 13 N -0.88 3.70 0.53 2.72 1.02 -1.26 -1.40 119.74 124.17 1u95 s LYS 13 Ca -0.10 0.06 -0.20 0.00 0.02 0.00 0.00 55.97 55.76 1u95 s LYS 13 Cb -0.06 -2.86 -0.09 0.00 -0.52 0.00 0.00 37.83 34.31 1u95 s LYS 13 CO 0.01 0.47 0.71 -2.30 -0.92 0.00 0.00 175.35 173.32 1u95 n PRO 14 N 0.30 0.75 0.00 -1.68 -0.02 -1.26 -1.29 135.00 131.80 1u95 n PRO 14 Ca -0.04 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1u95 n PRO 14 Cb 0.52 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1u95 n PRO 14 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1u95 n THR 15 N -1.37 0.00 -1.44 3.45 -2.24 0.84 -4.92 114.28 108.60 1u95 n THR 15 Ca 0.12 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.61 1u95 n THR 15 Cb 0.45 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.83 1u95 n THR 15 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1u95 s GLN 16 N 0.00 0.74 -0.17 -0.78 -0.21 -0.41 -3.79 119.66 115.03 1u95 s GLN 16 Ca 0.00 0.26 -0.08 0.00 0.02 0.00 0.00 55.36 55.56 1u95 s GLN 16 Cb 0.00 -1.80 -0.04 0.00 1.00 0.00 0.00 33.01 32.17 1u95 s GLN 16 CO 0.00 -2.46 0.08 0.99 -2.12 0.00 0.00 175.29 171.78 1u95 s THR 17 N -3.22 5.01 -0.19 -0.19 2.01 -1.26 -1.26 115.64 116.52 1u95 s THR 17 Ca 0.65 0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.65 1u95 s THR 17 Cb -0.15 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 1u95 s THR 17 CO 0.54 0.48 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.71 1u95 s LEU 18 N 0.14 3.11 -0.19 4.42 2.96 0.71 -4.98 118.68 124.85 1u95 s LEU 18 Ca 0.06 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1u95 s LEU 18 Cb -0.12 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.80 1u95 s LEU 18 CO 0.00 0.06 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.06 1u95 s THR 19 N 1.00 2.57 -0.05 3.68 2.01 -1.26 0.38 115.64 123.97 1u95 s THR 19 Ca 0.01 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.29 1u95 s THR 19 Cb -0.15 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 1u95 s THR 19 CO 0.01 0.50 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.47 1u95 s LEU 20 N 1.27 2.32 -0.09 4.42 1.43 0.23 -4.50 118.68 123.76 1u95 s LEU 20 Ca 0.03 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1u95 s LEU 20 Cb -0.14 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 1u95 s LEU 20 CO -0.08 0.28 -0.17 -0.89 0.23 0.00 0.00 176.35 175.73 1u95 s THR 21 N -0.39 2.79 -0.27 5.49 2.01 -0.16 -0.99 115.64 124.12 1u95 s THR 21 Ca 0.03 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 1u95 s THR 21 Cb -0.12 -2.11 0.02 0.00 0.01 0.00 0.00 72.50 70.29 1u95 s THR 21 CO 0.02 0.56 0.00 0.00 -0.69 0.00 0.00 174.62 174.51 1u95 s SER 23 N 1.41 5.04 0.25 0.00 0.01 -0.41 -0.98 113.70 119.03 1u95 s SER 23 Ca 0.02 0.00 0.01 0.00 1.31 0.00 0.00 55.95 57.29 1u95 s SER 23 Cb -0.17 -1.65 -0.05 0.00 0.21 0.00 0.00 66.02 64.36 1u95 s SER 23 CO -0.01 0.26 0.09 0.72 0.41 0.00 0.00 173.24 174.70 1u95 s PHE 24 N -0.15 1.49 0.11 2.43 -0.12 -0.86 -1.56 117.98 119.32 1u95 s PHE 24 Ca 0.04 -1.18 -0.09 0.00 -0.05 0.00 0.00 56.93 55.65 1u95 s PHE 24 Cb -0.13 -0.86 -0.00 0.00 -0.63 0.00 0.00 43.02 41.40 1u95 s PHE 24 CO 0.02 -0.34 0.22 -1.54 -0.05 0.00 0.00 175.22 173.53 1u95 s SER 25 N -3.29 0.09 0.00 1.98 1.04 -0.59 -4.86 113.70 108.06 1u95 s SER 25 Ca 0.37 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1u95 s SER 25 Cb 0.08 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1u95 s SER 25 CO 0.13 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1u95 n GLY 26 N -0.10 0.63 3.70 7.32 0.00 -1.26 -2.22 105.19 113.28 1u95 n GLY 26 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 1u95 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u95 s PHE 27 N -2.22 -0.13 0.08 1.61 -0.12 -1.26 -4.76 117.98 111.18 1u95 s PHE 27 Ca 0.00 -0.26 0.08 0.00 -0.05 0.00 0.00 56.93 56.70 1u95 s PHE 27 Cb 0.00 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 1u95 s PHE 27 CO 0.00 -1.10 -0.22 0.45 -0.05 0.00 0.00 175.22 174.30 1u95 s SER 28 N -2.91 2.70 -0.01 1.98 0.15 -1.26 -4.97 113.70 109.39 1u95 s SER 28 Ca 0.11 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1u95 s SER 28 Cb -0.04 -0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.10 1u95 s SER 28 CO 0.03 0.14 0.66 -0.11 1.20 0.00 0.00 173.24 175.16 1u95 n LEU 29 N 1.43 0.88 -0.40 3.45 7.94 -1.26 -0.88 117.00 128.16 1u95 n LEU 29 Ca -0.18 -0.44 0.05 0.00 -1.11 0.00 0.00 56.01 54.34 1u95 n LEU 29 Cb 0.53 -0.38 0.03 0.00 0.53 0.00 0.00 43.42 44.14 1u95 n LEU 29 CO 0.23 0.20 0.38 -1.54 -1.11 0.00 0.00 177.39 175.54 1u95 n SER 30 N -0.10 1.76 -4.79 1.96 3.41 -1.26 -4.17 113.62 110.43 1u95 n SER 30 Ca 0.01 -1.38 -0.34 0.00 -0.26 0.00 0.00 58.87 56.90 1u95 n SER 30 Cb 0.21 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1u95 n SER 30 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1u95 s ASP 31 N -1.05 5.85 0.06 4.04 1.01 -0.06 -4.91 116.67 121.62 1u95 s ASP 31 Ca 0.12 1.94 -0.34 0.00 0.71 0.00 0.00 52.55 54.99 1u95 s ASP 31 Cb 0.09 -2.55 -0.13 0.00 1.01 0.00 0.00 42.92 41.34 1u95 s ASP 31 CO 0.17 -1.12 1.73 0.33 0.21 0.00 0.00 175.17 176.49 1u95 n PHE 32 N -1.62 2.35 -0.82 4.23 7.35 -1.26 -2.83 117.46 124.86 1u95 n PHE 32 Ca 0.10 0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 1u95 n PHE 32 Cb 0.52 -2.62 0.00 0.00 0.35 0.00 0.00 39.48 37.73 1u95 n PHE 32 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1u95 n GLY 33 N 3.90 0.00 3.76 7.13 0.00 -1.26 -4.32 105.19 114.41 1u95 n GLY 33 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1u95 n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u95 s VAL 34 N -0.84 2.92 0.13 1.61 1.01 -1.13 -3.84 120.40 120.27 1u95 s VAL 34 Ca 0.00 0.58 0.05 0.00 0.00 0.00 0.00 61.98 62.61 1u95 s VAL 34 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1u95 s VAL 34 CO 0.00 -0.12 -0.11 -0.83 0.00 0.00 0.00 175.10 174.04 1u95 s GLY 35 N -1.67 1.02 -0.05 4.51 0.00 -0.44 -0.96 107.32 109.72 1u95 s GLY 35 Ca 0.74 -1.38 0.01 0.00 0.00 0.00 0.00 44.72 44.09 1u95 s GLY 35 CO 0.30 -1.47 -0.03 0.14 0.00 0.00 0.00 173.10 172.04 1u95 s VAL 35 N -2.87 0.44 0.38 1.40 1.01 -0.19 -0.68 120.40 119.89 1u95 s VAL 35 Ca 0.12 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.10 1u95 s VAL 35 Cb -0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.81 1u95 s VAL 35 CO 0.01 0.22 0.05 -0.83 0.00 0.00 0.00 175.10 174.54 1u95 s GLY 35 N 1.11 2.38 -0.03 4.51 0.00 0.09 -0.54 107.32 114.84 1u95 s GLY 35 Ca -0.08 -1.84 0.04 0.00 0.00 0.00 0.00 44.72 42.84 1u95 s GLY 35 CO -0.01 -1.94 -0.15 -0.98 0.00 0.00 0.00 173.10 170.02 1u95 s TRP 36 N -3.07 1.40 0.02 1.90 0.52 -0.08 -0.52 118.94 119.11 1u95 s TRP 36 Ca 0.31 -0.34 0.01 0.00 0.02 0.00 0.00 56.10 56.10 1u95 s TRP 36 Cb 0.08 -0.94 -0.02 0.00 -1.15 0.00 0.00 33.47 31.44 1u95 s TRP 36 CO 0.15 -0.10 -0.05 0.42 0.02 0.00 0.00 176.95 177.39 1u95 s ILE 37 N -0.07 0.36 0.27 2.03 1.09 0.42 -1.14 121.20 124.16 1u95 s ILE 37 Ca -0.00 -0.69 0.06 0.00 -1.10 0.00 0.00 60.65 58.92 1u95 s ILE 37 Cb -0.09 -0.40 -0.06 0.00 -1.06 0.00 0.00 42.46 40.85 1u95 s ILE 37 CO 0.01 -0.22 -0.06 0.00 -0.10 0.00 0.00 174.94 174.57 1u95 s ARG 38 N -0.98 1.51 -0.29 2.79 1.70 0.31 0.16 118.95 124.17 1u95 s ARG 38 Ca -0.07 -1.76 -0.00 0.00 -0.47 0.00 0.00 55.73 53.43 1u95 s ARG 38 Cb -0.07 -1.09 0.14 0.00 -0.57 0.00 0.00 34.95 33.36 1u95 s ARG 38 CO -0.00 0.03 0.30 -1.14 -1.08 0.00 0.00 175.30 173.41 1u95 s GLN 39 N -3.74 0.33 0.60 3.89 0.74 0.13 -0.63 119.66 120.98 1u95 s GLN 39 Ca 0.29 -0.11 -0.19 0.00 0.05 0.00 0.00 55.36 55.40 1u95 s GLN 39 Cb 0.04 -0.64 -0.03 0.00 1.10 0.00 0.00 33.01 33.48 1u95 s GLN 39 CO 0.11 -1.02 1.24 -2.14 -0.55 0.00 0.00 175.29 172.93 1u95 s PRO 40 N 2.37 2.88 0.17 1.67 0.02 -1.26 -0.96 135.00 139.89 1u95 s PRO 40 Ca 0.09 1.92 -0.33 0.00 0.02 0.00 0.00 61.00 62.69 1u95 s PRO 40 Cb -0.14 -1.93 -0.15 0.00 0.02 0.00 0.00 34.50 32.31 1u95 s PRO 40 CO -0.32 -1.30 1.42 -0.35 -0.33 0.00 0.00 177.00 176.11 1u95 n PRO 41 N -1.63 1.76 -0.49 5.54 -0.04 -1.26 -0.67 135.00 138.21 1u95 n PRO 41 Ca 0.14 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1u95 n PRO 41 Cb 0.49 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 1u95 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u95 n GLY 42 N 2.64 1.12 2.94 0.55 0.00 -1.26 -4.98 105.19 106.20 1u95 n GLY 42 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1u95 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u95 n LYS 43 N -2.00 0.71 -1.85 1.61 5.02 0.16 -5.13 118.16 116.67 1u95 n LYS 43 Ca 0.00 -2.36 -0.29 0.00 -2.02 0.00 0.00 58.31 53.63 1u95 n LYS 43 Cb 0.00 -0.17 0.08 0.00 -0.02 0.00 0.00 35.03 34.92 1u95 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u95 s ALA 44 N -2.53 2.67 0.38 7.82 0.00 -1.26 -4.71 121.76 124.13 1u95 s ALA 44 Ca 0.45 -0.50 -0.25 0.00 0.00 0.00 0.00 51.96 51.66 1u95 s ALA 44 Cb -0.04 -3.00 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 1u95 s ALA 44 CO 0.29 -1.51 1.05 -0.51 0.00 0.00 0.00 175.76 175.08 1u95 s LEU 45 N -5.53 4.20 -0.08 0.00 1.43 -1.26 -4.41 118.68 113.03 1u95 s LEU 45 Ca 0.61 2.05 -0.00 0.00 -1.03 0.00 0.00 54.13 55.76 1u95 s LEU 45 Cb -0.11 -4.11 0.02 0.00 0.03 0.00 0.00 46.19 42.02 1u95 s LEU 45 CO 0.51 -0.43 -0.05 -0.70 0.23 0.00 0.00 176.35 175.91 1u95 s GLU 46 N -2.35 1.12 0.20 1.70 2.12 0.20 -4.97 118.70 116.72 1u95 s GLU 46 Ca 0.56 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 55.47 1u95 s GLU 46 Cb -0.23 -1.24 -0.08 0.00 0.26 0.00 0.00 34.13 32.84 1u95 s GLU 46 CO 0.29 -0.22 1.18 -0.46 -0.54 0.00 0.00 175.26 175.51 1u95 s TRP 47 N 1.56 3.45 -0.11 5.30 -0.00 -1.26 -0.53 118.94 127.35 1u95 s TRP 47 Ca 0.00 1.48 -0.03 0.00 -0.00 0.00 0.00 56.10 57.55 1u95 s TRP 47 Cb -0.13 -3.40 -0.06 0.00 -0.00 0.00 0.00 33.47 29.88 1u95 s TRP 47 CO -0.05 -1.07 -0.13 1.28 -0.00 0.00 0.00 176.95 176.98 1u95 n LEU 48 N 2.25 1.65 -3.61 5.86 4.77 -0.30 -4.69 117.00 122.94 1u95 n LEU 48 Ca 0.03 0.06 0.01 0.00 -0.03 0.00 0.00 56.01 56.08 1u95 n LEU 48 Cb 0.45 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1u95 n LEU 48 CO 0.55 0.41 1.08 0.00 -1.33 0.00 0.00 177.39 178.11 1u95 s ALA 49 N -2.21 -2.26 0.02 -1.18 0.00 -1.17 -0.86 121.76 114.10 1u95 s ALA 49 Ca -0.15 0.91 -0.20 0.00 0.00 0.00 0.00 51.96 52.52 1u95 s ALA 49 Cb 0.05 0.24 0.04 0.00 0.00 0.00 0.00 23.12 23.46 1u95 s ALA 49 CO 0.22 -0.97 0.44 -1.50 0.00 0.00 0.00 175.76 173.94 1u95 s ILE 50 N -2.35 0.04 -0.01 0.00 2.07 -0.66 -0.91 121.20 119.40 1u95 s ILE 50 Ca 0.14 -0.37 0.02 0.00 -1.41 0.00 0.00 60.65 59.02 1u95 s ILE 50 Cb 0.04 -0.88 -0.00 0.00 0.13 0.00 0.00 42.46 41.75 1u95 s ILE 50 CO -0.04 -0.20 -0.06 -0.51 -1.91 0.00 0.00 174.94 172.21 1u95 s ILE 51 N -2.01 0.47 0.31 2.00 2.07 0.30 -1.98 121.20 122.36 1u95 s ILE 51 Ca -0.08 -0.25 0.07 0.00 -1.41 0.00 0.00 60.65 58.98 1u95 s ILE 51 Cb -0.02 -0.40 -0.03 0.00 0.13 0.00 0.00 42.46 42.15 1u95 s ILE 51 CO 0.01 0.13 0.24 -0.31 -1.91 0.00 0.00 174.94 173.11 1u95 s TYR 52 N -0.12 2.94 0.54 3.50 1.51 -0.78 -1.02 117.35 123.92 1u95 s TYR 52 Ca 0.02 -0.25 0.23 0.00 -1.01 0.00 0.00 57.07 56.06 1u95 s TYR 52 Cb -0.03 -1.65 1.52 0.00 -0.11 0.00 0.00 41.96 41.69 1u95 s TYR 52 CO -0.00 0.31 2.18 0.66 -1.11 0.00 0.00 175.55 177.58 1u95 h SER 53 N 1.36 0.00 -0.08 2.29 4.64 -1.21 0.20 113.55 120.75 1u95 h SER 53 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1u95 h SER 53 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1u95 h SER 53 CO 0.59 0.03 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 1u95 n ASP 54 N -4.13 0.48 -0.44 4.97 5.68 -1.26 -4.83 116.55 117.03 1u95 n ASP 54 Ca -0.03 -1.84 -0.06 0.00 -0.50 0.00 0.00 54.79 52.36 1u95 n ASP 54 Cb 0.11 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.02 1u95 n ASP 54 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1u95 n ASP 55 N -0.31 -3.88 -4.77 -1.12 2.03 0.70 -5.03 116.55 104.18 1u95 n ASP 55 Ca 0.07 0.14 -0.38 0.00 0.52 0.00 0.00 54.79 55.14 1u95 n ASP 55 Cb 0.10 -1.88 -0.04 0.00 -0.72 0.00 0.00 41.12 38.58 1u95 n ASP 55 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1u95 s ASP 56 N -2.75 6.99 0.04 1.67 3.68 -1.26 -4.82 116.67 120.21 1u95 s ASP 56 Ca 0.00 2.16 0.05 0.00 2.13 0.00 0.00 52.55 56.89 1u95 s ASP 56 Cb 0.00 -2.61 -0.02 0.00 -1.45 0.00 0.00 42.92 38.84 1u95 s ASP 56 CO 0.00 -0.34 -0.16 -0.54 0.13 0.00 0.00 175.17 174.27 1u95 s LYS 57 N -1.99 1.05 -0.02 4.34 1.02 -1.26 -1.86 119.74 121.02 1u95 s LYS 57 Ca 0.51 -0.79 -0.05 0.00 0.02 0.00 0.00 55.97 55.67 1u95 s LYS 57 Cb -0.27 -1.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.96 1u95 s LYS 57 CO 0.34 0.27 0.10 1.03 -0.92 0.00 0.00 175.35 176.18 1u95 s ARG 58 N -1.11 0.30 0.08 1.68 1.81 -0.84 -5.01 118.95 115.87 1u95 s ARG 58 Ca 0.03 -0.18 0.04 0.00 -1.72 0.00 0.00 55.73 53.90 1u95 s ARG 58 Cb -0.08 0.13 -0.03 0.00 -0.45 0.00 0.00 34.95 34.52 1u95 s ARG 58 CO 0.01 -0.06 -0.12 0.71 -0.68 0.00 0.00 175.30 175.16 1u95 s TYR 59 N -0.75 1.09 0.19 -0.53 1.51 -1.26 -1.65 117.35 115.94 1u95 s TYR 59 Ca -0.08 -0.54 -0.33 0.00 -1.01 0.00 0.00 57.07 55.11 1u95 s TYR 59 Cb -0.05 -0.61 -0.13 0.00 -0.11 0.00 0.00 41.96 41.06 1u95 s TYR 59 CO 0.01 0.02 1.60 0.45 -1.11 0.00 0.00 175.55 176.52 1u95 n SER 60 N 1.00 3.34 -0.14 2.29 2.88 -0.04 -4.85 113.62 118.10 1u95 n SER 60 Ca -0.19 1.09 -0.03 0.00 -1.33 0.00 0.00 58.87 58.41 1u95 n SER 60 Cb 0.56 -1.48 0.20 0.00 -0.75 0.00 0.00 64.21 62.74 1u95 n SER 60 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1u95 h PRO 61 N 5.92 0.85 0.00 -1.46 0.11 -1.94 0.31 132.00 135.79 1u95 h PRO 61 Ca -0.45 -0.16 -0.01 0.00 0.11 0.00 0.00 66.00 65.50 1u95 h PRO 61 Cb 1.24 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1u95 h PRO 61 CO 0.89 0.74 -0.04 1.03 -0.21 0.00 0.00 178.00 180.41 1u95 h SER 62 N 0.83 0.00 0.00 -2.05 0.87 -1.99 -3.16 113.55 108.05 1u95 h SER 62 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1u95 h SER 62 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1u95 h SER 62 CO -0.01 0.04 0.00 0.18 -0.53 0.00 0.00 176.83 176.51 1u95 n LEU 63 N -3.38 1.08 -0.36 2.23 7.99 -0.89 -4.82 117.00 118.84 1u95 n LEU 63 Ca -0.02 -1.08 0.02 0.00 -0.01 0.00 0.00 56.01 54.92 1u95 n LEU 63 Cb 0.16 0.00 0.08 0.00 -0.11 0.00 0.00 43.42 43.55 1u95 n LEU 63 CO 0.26 0.27 0.62 -1.13 -1.51 0.00 0.00 177.39 175.90 1u95 h ASN 64 N 0.00 -1.21 0.17 -1.43 -0.00 -0.92 0.14 115.58 112.33 1u95 h ASN 64 Ca 0.00 0.30 -0.01 0.00 -0.00 0.00 0.00 56.30 56.60 1u95 h ASN 64 Cb 0.09 0.69 -0.00 0.00 -0.00 0.00 0.00 38.32 39.10 1u95 h ASN 64 CO 0.00 -0.30 -0.02 0.71 -0.00 0.00 0.00 177.43 177.81 1u95 h THR 65 N -0.01 0.27 -0.01 -3.57 1.35 -1.88 -2.84 112.91 106.23 1u95 h THR 65 Ca 0.40 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 1u95 h THR 65 Cb 0.65 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1u95 h THR 65 CO -0.99 0.02 -0.53 0.54 -0.25 0.00 0.00 175.52 174.31 1u95 n ARG 66 N -3.42 1.36 -4.35 4.72 1.74 0.45 -4.94 116.66 112.22 1u95 n ARG 66 Ca -0.02 -0.63 -0.34 0.00 -0.77 0.00 0.00 57.85 56.09 1u95 n ARG 66 Cb 0.13 -1.36 -0.09 0.00 -1.02 0.00 0.00 32.46 30.12 1u95 n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1u95 s LEU 67 N -2.42 3.52 -0.05 0.55 1.43 -0.89 -0.92 118.68 119.90 1u95 s LEU 67 Ca 0.13 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1u95 s LEU 67 Cb 0.15 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1u95 s LEU 67 CO 0.56 0.33 -0.04 -0.89 0.23 0.00 0.00 176.35 176.53 1u95 s THR 68 N -0.98 0.57 0.02 5.49 2.01 -0.04 -4.94 115.64 117.77 1u95 s THR 68 Ca 0.16 -0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.12 1u95 s THR 68 Cb -0.11 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.77 1u95 s THR 68 CO 0.06 0.24 -0.24 -0.51 -0.69 0.00 0.00 174.62 173.48 1u95 s ILE 69 N 1.05 2.27 0.10 1.82 2.07 -1.26 -0.47 121.20 126.78 1u95 s ILE 69 Ca -0.09 -1.22 -0.09 0.00 -1.41 0.00 0.00 60.65 57.84 1u95 s ILE 69 Cb -0.14 -1.86 -0.00 0.00 0.13 0.00 0.00 42.46 40.58 1u95 s ILE 69 CO -0.01 0.45 0.20 0.28 -1.91 0.00 0.00 174.94 173.95 1u95 s THR 70 N -0.76 0.13 0.17 4.00 -1.32 0.30 -4.99 115.64 113.17 1u95 s THR 70 Ca 0.12 -1.23 0.08 0.00 -1.21 0.00 0.00 61.69 59.45 1u95 s THR 70 Cb -0.10 -1.44 -0.04 0.00 -1.51 0.00 0.00 72.50 69.41 1u95 s THR 70 CO 0.01 -0.59 -0.18 -1.59 -2.21 0.00 0.00 174.62 170.07 1u95 s LYS 71 N -3.88 1.28 -0.43 7.08 -2.85 -1.26 -0.96 119.74 118.71 1u95 s LYS 71 Ca 0.07 -1.43 0.02 0.00 -1.00 0.00 0.00 55.97 53.63 1u95 s LYS 71 Cb 0.05 -1.29 0.13 0.00 -2.06 0.00 0.00 37.83 34.66 1u95 s LYS 71 CO -0.09 0.26 0.23 0.34 0.10 0.00 0.00 175.35 176.19 1u95 s ASP 72 N -2.76 3.66 0.24 0.03 -1.08 0.92 -4.98 116.67 112.70 1u95 s ASP 72 Ca 0.17 -2.57 -0.05 0.00 -0.52 0.00 0.00 52.55 49.57 1u95 s ASP 72 Cb -0.05 -1.02 0.38 0.00 -1.46 0.00 0.00 42.92 40.77 1u95 s ASP 72 CO 0.07 -0.27 1.80 0.74 0.52 0.00 0.00 175.17 178.02 1u95 h THR 73 N 5.30 0.89 0.00 1.71 2.02 -1.95 -0.98 112.91 119.91 1u95 h THR 73 Ca -0.01 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1u95 h THR 73 Cb 0.93 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1u95 h THR 73 CO 0.48 0.14 -0.19 0.28 0.37 0.00 0.00 175.52 176.59 1u95 h SER 74 N 0.74 0.00 -0.10 4.18 0.02 -1.94 -2.78 113.55 113.67 1u95 h SER 74 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1u95 h SER 74 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1u95 h SER 74 CO -0.25 0.19 0.00 0.29 -1.14 0.00 0.00 176.83 175.92 1u95 n LYS 75 N -3.30 2.28 -3.68 3.45 5.02 -0.53 -4.98 118.16 116.42 1u95 n LYS 75 Ca 0.01 -1.88 -0.22 0.00 -2.02 0.00 0.00 58.31 54.20 1u95 n LYS 75 Cb 0.44 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 34.01 1u95 n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1u95 n ASN 76 N 1.23 -1.86 -4.06 4.39 5.03 -0.49 -4.84 115.26 114.67 1u95 n ASN 76 Ca 0.16 -0.84 -0.10 0.00 0.87 0.00 0.00 54.58 54.66 1u95 n ASN 76 Cb 0.57 -4.03 -0.11 0.00 -1.02 0.00 0.00 39.78 35.19 1u95 n ASN 76 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1u95 s GLN 77 N -5.90 0.52 -0.05 3.52 -0.21 -0.94 -2.02 119.66 114.58 1u95 s GLN 77 Ca 0.07 -0.88 0.02 0.00 0.02 0.00 0.00 55.36 54.59 1u95 s GLN 77 Cb -0.02 -0.07 0.01 0.00 1.00 0.00 0.00 33.01 33.94 1u95 s GLN 77 CO 0.81 -0.02 -0.10 0.08 -2.12 0.00 0.00 175.29 173.94 1u95 s VAL 78 N -2.21 0.94 -0.04 1.09 1.01 -0.15 -0.06 120.40 120.98 1u95 s VAL 78 Ca -0.05 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1u95 s VAL 78 Cb -0.04 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 1u95 s VAL 78 CO -0.03 0.30 -0.20 -0.69 0.00 0.00 0.00 175.10 174.49 1u95 s VAL 79 N 0.55 2.58 -0.13 2.92 1.01 -0.14 -0.17 120.40 127.02 1u95 s VAL 79 Ca -0.10 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1u95 s VAL 79 Cb -0.13 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.29 1u95 s VAL 79 CO 0.02 0.58 -0.17 -0.22 0.00 0.00 0.00 175.10 175.31 1u95 s LEU 80 N -0.56 1.85 -0.20 3.92 2.96 -0.17 -0.54 118.68 125.94 1u95 s LEU 80 Ca 0.08 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1u95 s LEU 80 Cb -0.11 -1.23 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 1u95 s LEU 80 CO 0.01 0.02 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.30 1u95 s VAL 81 N 1.05 3.29 -0.17 1.68 1.01 0.38 -0.60 120.40 127.05 1u95 s VAL 81 Ca -0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1u95 s VAL 81 Cb -0.15 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 1u95 s VAL 81 CO -0.04 0.45 -0.13 -0.32 0.00 0.00 0.00 175.10 175.06 1u95 s MET 82 N 1.19 3.25 0.37 2.72 1.75 0.16 -0.86 119.30 127.87 1u95 s MET 82 Ca 0.02 -0.72 0.05 0.00 -1.25 0.00 0.00 55.69 53.79 1u95 s MET 82 Cb -0.14 -2.70 -0.01 0.00 2.84 0.00 0.00 34.83 34.82 1u95 s MET 82 CO -0.02 -0.03 0.52 0.95 -0.65 0.00 0.00 175.02 175.80 1u95 s THR 82 N 0.94 4.01 -1.32 10.11 -4.23 -0.10 -0.21 115.64 124.85 1u95 s THR 82 Ca -0.02 -0.88 -0.13 0.00 -1.18 0.00 0.00 61.69 59.48 1u95 s THR 82 Cb -0.15 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 70.29 1u95 s THR 82 CO -0.01 -0.19 0.51 0.54 -0.54 0.00 0.00 174.62 174.93 1u95 n ARG 82 N -1.76 -1.77 -1.69 3.99 5.12 -0.99 -4.87 116.66 114.71 1u95 n ARG 82 Ca 0.01 0.30 -0.32 0.00 -1.93 0.00 0.00 57.85 55.91 1u95 n ARG 82 Cb 0.58 -3.87 0.05 0.00 -1.16 0.00 0.00 32.46 28.05 1u95 n ARG 82 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1u95 s VAL 82 N -3.81 3.52 0.27 1.55 -7.23 -0.39 -4.63 120.40 109.68 1u95 s VAL 82 Ca 0.23 0.63 0.02 0.00 -1.81 0.00 0.00 61.98 61.04 1u95 s VAL 82 Cb -0.10 -3.17 -0.05 0.00 0.56 0.00 0.00 36.38 33.62 1u95 s VAL 82 CO 0.91 -0.51 0.12 -0.94 -0.31 0.00 0.00 175.10 174.37 1u95 s SER 83 N -2.99 1.30 0.37 4.85 1.04 -1.26 -0.11 113.70 116.89 1u95 s SER 83 Ca 0.63 -1.45 0.13 0.00 0.48 0.00 0.00 55.95 55.75 1u95 s SER 83 Cb -0.18 0.26 0.96 0.00 0.10 0.00 0.00 66.02 67.16 1u95 s SER 83 CO 0.46 -0.79 1.79 -0.65 0.98 0.00 0.00 173.24 175.03 1u95 h PRO 84 N 2.32 0.52 0.00 4.02 0.11 -1.97 -0.00 132.00 137.00 1u95 h PRO 84 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1u95 h PRO 84 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1u95 h PRO 84 CO 0.57 0.35 0.00 1.33 -0.21 0.00 0.00 178.00 180.04 1u95 n VAL 85 N -4.65 1.52 1.72 3.15 0.24 -1.26 -1.07 118.33 117.97 1u95 n VAL 85 Ca 0.23 0.45 0.12 0.00 -2.04 0.00 0.00 64.34 63.09 1u95 n VAL 85 Cb 0.71 -1.37 0.58 0.00 -1.47 0.00 0.00 33.84 32.29 1u95 n VAL 85 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1u95 n ASP 86 N -1.66 0.67 -4.71 -1.34 8.00 -0.01 -4.83 116.55 112.67 1u95 n ASP 86 Ca 0.01 -1.42 -0.42 0.00 0.71 0.00 0.00 54.79 53.66 1u95 n ASP 86 Cb 0.07 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 1u95 n ASP 86 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1u95 s THR 87 N -1.94 3.78 0.02 -3.53 -4.23 -0.24 -4.84 115.64 104.67 1u95 s THR 87 Ca 0.35 1.26 -0.29 0.00 -1.18 0.00 0.00 61.69 61.83 1u95 s THR 87 Cb 0.17 -3.81 0.11 0.00 1.34 0.00 0.00 72.50 70.31 1u95 s THR 87 CO 0.28 0.08 1.19 0.00 -0.54 0.00 0.00 174.62 175.62 1u95 s ALA 88 N 1.32 -2.07 -0.13 3.99 0.00 -0.62 -4.44 121.76 119.81 1u95 s ALA 88 Ca 0.61 0.58 -0.17 0.00 0.00 0.00 0.00 51.96 52.98 1u95 s ALA 88 Cb -0.32 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1u95 s ALA 88 CO 0.29 -1.03 0.43 0.99 0.00 0.00 0.00 175.76 176.44 1u95 s THR 89 N -2.67 5.21 -0.21 0.00 2.01 -0.13 -1.13 115.64 118.72 1u95 s THR 89 Ca 0.13 0.85 -0.07 0.00 0.31 0.00 0.00 61.69 62.92 1u95 s THR 89 Cb 0.03 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1u95 s THR 89 CO -0.02 0.33 0.05 -0.31 -0.69 0.00 0.00 174.62 173.98 1u95 s TYR 90 N 0.66 3.15 0.02 4.92 1.51 0.36 0.18 117.35 128.14 1u95 s TYR 90 Ca 0.23 -0.18 0.07 0.00 -1.01 0.00 0.00 57.07 56.18 1u95 s TYR 90 Cb -0.15 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 1u95 s TYR 90 CO 0.09 -0.09 -0.20 -0.06 -1.11 0.00 0.00 175.55 174.17 1u95 s PHE 91 N 0.92 2.50 0.23 2.71 0.40 0.12 -0.94 117.98 123.92 1u95 s PHE 91 Ca 0.03 -0.30 0.07 0.00 -0.60 0.00 0.00 56.93 56.14 1u95 s PHE 91 Cb -0.14 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 1u95 s PHE 91 CO 0.03 0.18 0.12 0.00 0.70 0.00 0.00 175.22 176.24 1u95 s ALA 93 N -2.04 -1.13 0.14 0.00 0.00 0.32 -1.87 121.76 117.18 1u95 s ALA 93 Ca 0.31 0.52 -0.18 0.00 0.00 0.00 0.00 51.96 52.61 1u95 s ALA 93 Cb -0.08 0.23 -0.07 0.00 0.00 0.00 0.00 23.12 23.20 1u95 s ALA 93 CO 0.23 -0.40 0.62 -1.58 0.00 0.00 0.00 175.76 174.62 1u95 s HIS 94 N -1.99 3.71 -0.11 0.00 5.65 0.06 -0.73 115.29 121.88 1u95 s HIS 94 Ca -0.08 1.27 0.01 0.00 0.25 0.00 0.00 55.06 56.50 1u95 s HIS 94 Cb -0.02 -2.51 0.02 0.00 -1.18 0.00 0.00 32.58 28.89 1u95 s HIS 94 CO 0.01 0.47 -0.12 0.50 -0.65 0.00 0.00 174.74 174.95 1u95 s ARG 95 N -1.60 1.94 0.67 2.88 3.52 0.14 -1.68 118.95 124.83 1u95 s ARG 95 Ca 0.36 -0.44 -0.16 0.00 -0.13 0.00 0.00 55.73 55.36 1u95 s ARG 95 Cb -0.18 -1.78 0.01 0.00 -1.56 0.00 0.00 34.95 31.44 1u95 s ARG 95 CO 0.20 -0.16 1.15 1.03 -0.81 0.00 0.00 175.30 176.71 1u95 s ARG 96 N 1.30 2.60 0.50 5.12 0.52 -1.26 -1.33 118.95 126.40 1u95 s ARG 96 Ca -0.01 1.57 0.06 0.00 -0.52 0.00 0.00 55.73 56.84 1u95 s ARG 96 Cb -0.14 -1.91 0.04 0.00 0.52 0.00 0.00 34.95 33.46 1u95 s ARG 96 CO -0.05 -1.44 0.69 0.20 0.02 0.00 0.00 175.30 174.72 1u95 s GLY 97 N -2.25 1.86 0.60 -3.53 0.00 -1.25 -4.26 107.32 98.50 1u95 s GLY 97 Ca 0.71 -1.70 -0.20 0.00 0.00 0.00 0.00 44.72 43.53 1u95 s GLY 97 CO 0.41 -1.41 1.29 -1.05 0.00 0.00 0.00 173.10 172.34 1u95 n PRO 98 N -2.11 1.33 -2.21 2.90 -0.02 -1.26 -4.59 135.00 129.03 1u95 n PRO 98 Ca 0.10 0.50 -0.39 0.00 -2.02 0.00 0.00 63.50 61.70 1u95 n PRO 98 Cb 0.60 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1u95 n PRO 98 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1u95 s THR 99 N -1.35 2.97 0.18 3.45 2.01 -0.05 -4.90 115.64 117.95 1u95 s THR 99 Ca 0.78 0.85 0.11 0.00 0.31 0.00 0.00 61.69 63.74 1u95 s THR 99 Cb -0.40 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1u95 s THR 99 CO 0.44 0.10 -0.24 0.42 -0.69 0.00 0.00 174.62 174.65 1u95 s THR 100 N -1.34 2.32 -0.12 -0.82 -4.23 -1.26 -1.08 115.64 109.10 1u95 s THR 100 Ca 0.56 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1u95 s THR 100 Cb -0.34 -2.09 0.03 0.00 1.34 0.00 0.00 72.50 71.45 1u95 s THR 100 CO 0.43 -0.08 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.15 1u95 s LEU 100 N -2.55 1.17 -1.35 4.79 2.96 0.15 -4.68 118.68 119.17 1u95 s LEU 100 Ca 0.19 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1u95 s LEU 100 Cb -0.08 -0.76 -0.00 0.00 0.50 0.00 0.00 46.19 45.84 1u95 s LEU 100 CO 0.09 -0.16 0.50 0.49 -1.32 0.00 0.00 176.35 175.95 1u95 n PHE 100 N 4.97 -1.71 -3.82 5.38 3.01 -1.26 -0.77 117.46 123.28 1u95 n PHE 100 Ca -0.11 0.71 -0.28 0.00 1.01 0.00 0.00 57.45 58.78 1u95 n PHE 100 Cb 0.49 -3.76 0.04 0.00 -0.01 0.00 0.00 39.48 36.24 1u95 n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1u95 n GLY 100 N -1.90 -0.49 2.86 1.37 0.00 -1.26 -4.97 105.19 100.79 1u95 n GLY 100 Ca -0.28 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 1u95 n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u95 s VAL 100 N -3.34 0.65 0.05 1.61 1.01 0.05 -5.08 120.40 115.36 1u95 s VAL 100 Ca 0.58 -0.10 -0.31 0.00 0.00 0.00 0.00 61.98 62.16 1u95 s VAL 100 Cb -0.28 -0.72 -0.08 0.00 0.00 0.00 0.00 36.38 35.30 1u95 s VAL 100 CO 0.80 0.29 1.65 -2.16 0.00 0.00 0.00 175.10 175.69 1u95 s PRO 100 N 1.53 4.20 0.00 2.72 0.04 -1.26 0.33 135.00 142.55 1u95 s PRO 100 Ca -0.01 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1u95 s PRO 100 Cb -0.13 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1u95 s PRO 100 CO -0.04 -0.75 0.00 0.44 0.04 0.00 0.00 177.00 176.69 1u95 n ILE 100 N 4.82 0.00 -3.67 0.56 -5.35 -0.24 -4.92 119.36 110.56 1u95 n ILE 100 Ca 0.16 -0.07 -0.20 0.00 -0.27 0.00 0.00 62.75 62.38 1u95 n ILE 100 Cb 0.41 0.46 -0.18 0.00 -1.74 0.00 0.00 39.64 38.59 1u95 n ILE 100 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1u95 s ALA 100 N -1.05 0.18 -1.04 -1.28 0.00 -1.16 -4.99 121.76 112.42 1u95 s ALA 100 Ca 0.00 0.24 0.21 0.00 0.00 0.00 0.00 51.96 52.41 1u95 s ALA 100 Cb 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 23.12 22.33 1u95 s ALA 100 CO 0.00 -0.49 0.96 2.89 0.00 0.00 0.00 175.76 179.11 1u95 n ARG 100 N 5.28 0.04 -0.34 0.00 1.85 -1.26 -0.87 116.66 121.37 1u95 n ARG 100 Ca -0.04 -0.04 0.13 0.00 -1.00 0.00 0.00 57.85 56.91 1u95 n ARG 100 Cb 0.50 -1.50 0.34 0.00 -1.05 0.00 0.00 32.46 30.75 1u95 n ARG 100 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1u95 h GLY 100 N 4.99 1.64 2.00 2.89 0.00 -1.97 -1.11 103.07 111.51 1u95 h GLY 100 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1u95 h GLY 100 CO 0.00 -0.03 0.00 -1.05 0.00 0.00 0.00 176.54 175.46 1u95 n PRO 100 N -4.71 0.11 0.00 4.80 -0.02 -1.26 -1.63 135.00 132.30 1u95 n PRO 100 Ca 0.22 0.52 0.14 0.00 -2.02 0.00 0.00 63.50 62.37 1u95 n PRO 100 Cb 0.57 -1.81 0.61 0.00 -0.02 0.00 0.00 33.50 32.86 1u95 n PRO 100 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1u95 n VAL 100 N -2.04 0.00 -2.03 -1.45 0.24 -0.42 -4.41 118.33 108.22 1u95 n VAL 100 Ca 0.00 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 1u95 n VAL 100 Cb 0.09 -0.44 -0.00 0.00 -1.47 0.00 0.00 33.84 32.02 1u95 n VAL 100 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1u95 n ASN 100 N -1.46 6.24 0.00 -1.34 3.02 -0.64 -4.79 115.26 116.29 1u95 n ASN 100 Ca 0.08 -3.02 0.00 0.00 -0.03 0.00 0.00 54.58 51.61 1u95 n ASN 100 Cb 0.32 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.02 1u95 n ASN 100 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u95 n ALA 100 N 3.48 0.00 -3.18 5.41 0.00 -1.26 -5.07 120.51 119.88 1u95 n ALA 100 Ca 0.53 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.58 1u95 n ALA 100 Cb 0.32 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.65 1u95 n ALA 100 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1u95 s MET 100 N -2.00 2.63 0.23 0.00 -1.94 -1.26 -4.49 119.30 112.48 1u95 s MET 100 Ca 0.00 -1.26 0.15 0.00 -1.71 0.00 0.00 55.69 52.86 1u95 s MET 100 Cb 0.00 -3.61 0.01 0.00 2.01 0.00 0.00 34.83 33.24 1u95 s MET 100 CO 0.00 -0.77 1.34 0.38 -0.01 0.00 0.00 175.02 175.96 1u95 h ASP 101 N 8.31 0.00 -3.60 3.03 2.03 -1.70 -3.46 116.42 121.03 1u95 h ASP 101 Ca -0.23 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.73 1u95 h ASP 101 Cb 1.09 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 39.26 1u95 h ASP 101 CO 0.66 0.56 -0.75 -0.69 -1.03 0.00 0.00 179.24 177.99 1u95 s VAL 102 N -2.93 0.26 0.19 4.15 1.01 -1.25 -5.02 120.40 116.81 1u95 s VAL 102 Ca 0.03 -0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.09 1u95 s VAL 102 Cb 0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1u95 s VAL 102 CO 0.76 0.14 -0.15 0.26 0.00 0.00 0.00 175.10 176.11 1u95 s TRP 103 N 0.67 2.51 0.61 5.22 0.52 -1.26 -0.76 118.94 126.46 1u95 s TRP 103 Ca -0.07 -0.27 -0.06 0.00 0.02 0.00 0.00 56.10 55.72 1u95 s TRP 103 Cb -0.10 -1.23 0.02 0.00 -1.15 0.00 0.00 33.47 31.00 1u95 s TRP 103 CO -0.01 0.51 0.93 0.20 0.02 0.00 0.00 176.95 178.60 1u95 s GLY 104 N -2.79 1.62 0.54 0.98 0.00 -0.78 -4.54 107.32 102.35 1u95 s GLY 104 Ca 0.24 -0.71 0.20 0.00 0.00 0.00 0.00 44.72 44.45 1u95 s GLY 104 CO 0.13 -0.40 2.17 0.06 0.00 0.00 0.00 173.10 175.06 1u95 h GLN 105 N -0.27 0.00 0.00 2.90 3.07 -1.92 -3.45 115.11 115.45 1u95 h GLN 105 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1u95 h GLN 105 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.82 1u95 h GLN 105 CO 0.61 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.94 1u95 n GLY 106 N -1.48 2.32 3.09 0.06 0.00 -1.26 -5.01 105.19 102.91 1u95 n GLY 106 Ca -0.02 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.06 1u95 n GLY 106 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1u95 s ILE 107 N -1.49 1.54 -0.17 -0.61 2.07 -0.12 -4.87 121.20 117.55 1u95 s ILE 107 Ca 0.00 -0.70 -0.27 0.00 -1.41 0.00 0.00 60.65 58.27 1u95 s ILE 107 Cb 0.00 -1.38 -0.01 0.00 0.13 0.00 0.00 42.46 41.21 1u95 s ILE 107 CO 0.00 0.45 0.94 -0.89 -1.91 0.00 0.00 174.94 173.52 1u95 s THR 108 N 0.68 4.80 -0.10 4.00 2.01 -1.26 -0.49 115.64 125.28 1u95 s THR 108 Ca -0.13 1.85 0.03 0.00 0.31 0.00 0.00 61.69 63.75 1u95 s THR 108 Cb -0.16 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.12 1u95 s THR 108 CO 0.03 -0.03 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.04 1u95 s VAL 109 N 2.39 1.80 -0.15 3.82 1.01 -0.28 -4.56 120.40 124.42 1u95 s VAL 109 Ca 0.43 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 1u95 s VAL 109 Cb -0.17 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1u95 s VAL 109 CO 0.12 0.50 -0.08 -0.89 0.00 0.00 0.00 175.10 174.76 1u95 s THR 110 N 0.60 3.47 -0.32 3.92 2.01 0.57 -1.58 115.64 124.30 1u95 s THR 110 Ca -0.14 -0.50 -0.07 0.00 0.31 0.00 0.00 61.69 61.29 1u95 s THR 110 Cb -0.17 -2.50 0.03 0.00 0.01 0.00 0.00 72.50 69.87 1u95 s THR 110 CO 0.04 0.50 0.10 -0.63 -0.69 0.00 0.00 174.62 173.94 1u95 s ILE 111 N 0.50 3.87 -0.12 1.82 1.01 -1.26 -0.84 121.20 126.18 1u95 s ILE 111 Ca -0.06 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.40 1u95 s ILE 111 Cb -0.15 -3.12 0.05 0.00 0.01 0.00 0.00 42.46 39.26 1u95 s ILE 111 CO 0.03 -0.09 0.56 -0.55 0.00 0.00 0.00 174.94 174.90 1u95 s SER 112 N 1.44 -0.54 0.00 3.58 0.15 -0.49 -4.34 113.70 113.50 1u95 s SER 112 Ca -0.00 0.81 0.27 0.00 0.70 0.00 0.00 55.95 57.73 1u95 s SER 112 Cb -0.19 0.80 1.20 0.00 -1.71 0.00 0.00 66.02 66.12 1u95 s SER 112 CO 0.03 -0.39 1.82 -1.54 1.20 0.00 0.00 173.24 174.36 1u95 n SER 113 N 1.86 1.07 -4.77 5.45 3.41 -1.26 -4.04 113.62 115.34 1u95 n SER 113 Ca -0.17 -1.42 -0.36 0.00 -0.26 0.00 0.00 58.87 56.67 1u95 n SER 113 Cb 0.56 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.51 1u95 n SER 113 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1u95 s THR 114 N -1.96 2.96 0.28 6.66 2.01 -1.26 -5.05 115.64 119.28 1u95 s THR 114 Ca 0.38 0.61 0.03 0.00 0.31 0.00 0.00 61.69 63.02 1u95 s THR 114 Cb 0.20 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1u95 s THR 114 CO 0.32 -0.12 0.43 -0.44 -0.69 0.00 0.00 174.62 174.13 1u95 s SER 115 N -1.67 6.29 0.22 3.53 0.01 -1.26 -5.04 113.70 115.79 1u95 s SER 115 Ca 0.74 0.20 -0.31 0.00 1.31 0.00 0.00 55.95 57.89 1u95 s SER 115 Cb -0.27 -1.89 -0.15 0.00 0.21 0.00 0.00 66.02 63.92 1u95 s SER 115 CO 0.30 -0.17 1.10 0.41 0.41 0.00 0.00 173.24 175.29 1u95 n THR 116 N -1.56 1.36 -3.64 1.44 -1.04 -1.26 -4.71 114.28 104.86 1u95 n THR 116 Ca -0.07 -0.34 -0.10 0.00 -2.04 0.00 0.00 64.05 61.50 1u95 n THR 116 Cb 0.57 -0.93 -0.07 0.00 -1.82 0.00 0.00 70.33 68.08 1u95 n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1u95 s LYS 117 N -0.86 0.72 0.50 -2.82 2.20 0.85 -4.93 119.74 115.40 1u95 s LYS 117 Ca 0.67 1.11 -0.19 0.00 -0.36 0.00 0.00 55.97 57.20 1u95 s LYS 117 Cb -0.78 0.21 -0.08 0.00 -1.51 0.00 0.00 37.83 35.67 1u95 s LYS 117 CO 0.55 -0.13 1.01 0.20 -0.36 0.00 0.00 175.35 176.62 1u95 s GLY 118 N 1.19 2.31 0.61 5.54 0.00 -1.26 -0.97 107.32 114.74 1u95 s GLY 118 Ca -0.07 0.43 -0.15 0.00 0.00 0.00 0.00 44.72 44.93 1u95 s GLY 118 CO -0.12 0.73 1.06 2.56 0.00 0.00 0.00 173.10 177.33 1u95 s PRO 119 N -3.57 3.25 -0.12 2.90 0.04 -1.26 -4.57 135.00 131.68 1u95 s PRO 119 Ca 0.64 1.18 -0.08 0.00 0.04 0.00 0.00 61.00 62.78 1u95 s PRO 119 Cb -0.13 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1u95 s PRO 119 CO 0.24 -0.87 0.17 -1.12 0.04 0.00 0.00 177.00 175.47 1u95 s SER 120 N -2.89 6.42 -0.17 6.66 0.01 0.09 -4.90 113.70 118.92 1u95 s SER 120 Ca 0.63 0.50 -0.01 0.00 1.31 0.00 0.00 55.95 58.38 1u95 s SER 120 Cb -0.16 -2.10 -0.00 0.00 0.21 0.00 0.00 66.02 63.97 1u95 s SER 120 CO 0.39 0.37 -0.12 -0.69 0.41 0.00 0.00 173.24 173.60 1u95 s VAL 121 N -0.86 2.91 0.18 3.43 1.01 -1.26 -0.75 120.40 125.06 1u95 s VAL 121 Ca 0.15 -0.68 0.11 0.00 0.00 0.00 0.00 61.98 61.57 1u95 s VAL 121 Cb -0.12 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1u95 s VAL 121 CO 0.04 0.49 -0.25 -0.36 0.00 0.00 0.00 175.10 175.03 1u95 s PHE 122 N 0.98 2.30 0.41 5.22 0.40 -0.34 -4.95 117.98 122.00 1u95 s PHE 122 Ca -0.02 -0.36 -0.22 0.00 -0.60 0.00 0.00 56.93 55.73 1u95 s PHE 122 Cb -0.15 -1.16 -0.10 0.00 0.51 0.00 0.00 43.02 42.12 1u95 s PHE 122 CO -0.02 0.47 0.96 -1.25 0.70 0.00 0.00 175.22 176.09 1u95 s PRO 123 N -2.57 4.25 -0.28 0.24 0.04 -1.26 -1.05 135.00 134.37 1u95 s PRO 123 Ca 0.20 1.21 0.03 0.00 0.04 0.00 0.00 61.00 62.48 1u95 s PRO 123 Cb -0.08 -2.32 0.07 0.00 0.04 0.00 0.00 34.50 32.21 1u95 s PRO 123 CO 0.09 -0.02 -0.05 -0.51 0.04 0.00 0.00 177.00 176.56 1u95 s LEU 124 N -2.95 3.75 0.02 -3.56 1.43 0.38 -4.80 118.68 112.95 1u95 s LEU 124 Ca 0.60 -1.63 0.07 0.00 -1.03 0.00 0.00 54.13 52.14 1u95 s LEU 124 Cb -0.13 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 1u95 s LEU 124 CO 0.17 -0.26 -0.22 0.00 0.23 0.00 0.00 176.35 176.26 1u95 s ALA 125 N 1.08 1.89 0.45 4.21 0.00 -1.26 -0.45 121.76 127.68 1u95 s ALA 125 Ca -0.02 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1u95 s ALA 125 Cb -0.19 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1u95 s ALA 125 CO -0.07 0.44 0.00 -0.35 0.00 0.00 0.00 175.76 175.79 1u95 n PRO 126 N 2.11 1.01 -0.02 0.00 -0.04 -1.24 -4.99 135.00 131.83 1u95 n PRO 126 Ca -0.16 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.31 1u95 n PRO 126 Cb 0.53 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1u95 n PRO 126 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u95 n GLY 133 N 0.00 -0.03 2.36 0.55 0.00 -1.26 -5.04 105.19 101.77 1u95 n GLY 133 Ca 0.00 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1u95 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u95 n ALA 134 N -2.54 6.92 -2.34 4.61 0.00 -1.26 -4.92 120.51 120.98 1u95 n ALA 134 Ca 0.01 -3.41 -0.31 0.00 0.00 0.00 0.00 53.44 49.74 1u95 n ALA 134 Cb 0.06 -2.77 -0.04 0.00 0.00 0.00 0.00 19.45 16.69 1u95 n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u95 s ALA 135 N 0.04 3.49 0.19 0.00 0.00 -1.26 -1.68 121.76 122.54 1u95 s ALA 135 Ca 0.62 -0.27 0.10 0.00 0.00 0.00 0.00 51.96 52.41 1u95 s ALA 135 Cb 0.24 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1u95 s ALA 135 CO -0.09 0.30 -0.18 0.00 0.00 0.00 0.00 175.76 175.79 1u95 s ALA 136 N -2.03 2.71 0.03 0.00 0.00 -0.12 -4.76 121.76 117.60 1u95 s ALA 136 Ca 0.49 -1.56 0.05 0.00 0.00 0.00 0.00 51.96 50.93 1u95 s ALA 136 Cb -0.11 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1u95 s ALA 136 CO 0.25 0.45 -0.15 0.00 0.00 0.00 0.00 175.76 176.31 1u95 s ALA 137 N -1.67 1.24 0.26 0.00 0.00 -1.26 -1.52 121.76 118.80 1u95 s ALA 137 Ca 0.22 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 51.23 1u95 s ALA 137 Cb -0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.82 1u95 s ALA 137 CO 0.12 0.25 0.48 -0.48 0.00 0.00 0.00 175.76 176.13 1u95 s LEU 138 N -1.07 0.37 0.00 0.00 2.34 -0.72 -3.61 118.68 115.99 1u95 s LEU 138 Ca 0.03 -0.98 0.00 0.00 0.06 0.00 0.00 54.13 53.24 1u95 s LEU 138 Cb -0.08 1.76 0.00 0.00 -0.56 0.00 0.00 46.19 47.31 1u95 s LEU 138 CO 0.01 -1.16 0.00 0.61 -1.06 0.00 0.00 176.35 174.75 1u95 n GLY 139 N -0.40 1.10 2.93 -3.48 0.00 0.40 -0.23 105.19 105.51 1u95 n GLY 139 Ca -0.02 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 1u95 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u95 s LEU 141 N -0.36 3.98 -0.67 0.00 2.96 -0.21 -1.28 118.68 123.10 1u95 s LEU 141 Ca -0.02 -1.04 -0.17 0.00 -0.22 0.00 0.00 54.13 52.68 1u95 s LEU 141 Cb -0.03 -1.81 0.14 0.00 0.50 0.00 0.00 46.19 44.99 1u95 s LEU 141 CO -0.00 -0.26 0.72 -0.69 -1.32 0.00 0.00 176.35 174.80 1u95 s VAL 142 N 1.38 5.07 -0.09 1.68 1.01 0.20 -1.19 120.40 128.46 1u95 s VAL 142 Ca -0.01 -1.50 -0.02 0.00 0.00 0.00 0.00 61.98 60.44 1u95 s VAL 142 Cb -0.19 -4.49 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 1u95 s VAL 142 CO 0.01 -1.09 0.02 -0.75 0.00 0.00 0.00 175.10 173.28 1u95 s LYS 143 N 1.88 3.02 -0.92 2.72 2.20 0.07 -1.55 119.74 127.17 1u95 s LYS 143 Ca 0.13 -0.38 -0.05 0.00 -0.36 0.00 0.00 55.97 55.31 1u95 s LYS 143 Cb -0.20 -2.83 -0.05 0.00 -1.51 0.00 0.00 37.83 33.23 1u95 s LYS 143 CO 0.00 0.71 0.80 -0.25 -0.36 0.00 0.00 175.35 176.26 1u95 n ASP 144 N 2.11 -5.63 -4.42 1.43 8.00 -0.46 -0.73 116.55 116.85 1u95 n ASP 144 Ca -0.19 -0.61 -0.21 0.00 0.71 0.00 0.00 54.79 54.50 1u95 n ASP 144 Cb 0.54 -4.57 -0.10 0.00 -0.02 0.00 0.00 41.12 36.96 1u95 n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1u95 s TYR 145 N -3.33 1.92 -0.27 1.24 1.13 -0.95 -4.31 117.35 112.77 1u95 s TYR 145 Ca 0.36 -0.66 -0.25 0.00 -1.41 0.00 0.00 57.07 55.10 1u95 s TYR 145 Cb -0.05 -1.06 0.09 0.00 -1.10 0.00 0.00 41.96 39.85 1u95 s TYR 145 CO 0.64 0.31 0.84 0.12 -2.51 0.00 0.00 175.55 174.95 1u95 s PHE 146 N -2.99 -0.66 0.00 -3.49 2.19 -0.14 0.18 117.98 113.07 1u95 s PHE 146 Ca 0.28 1.61 0.00 0.00 0.33 0.00 0.00 56.93 59.16 1u95 s PHE 146 Cb 0.03 0.31 0.00 0.00 -1.31 0.00 0.00 43.02 42.05 1u95 s PHE 146 CO 0.11 -0.32 0.00 -0.35 1.83 0.00 0.00 175.22 176.49 1u95 n PRO 147 N 2.48 1.08 -1.37 10.12 -0.04 -1.26 -0.10 135.00 145.90 1u95 n PRO 147 Ca -0.13 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.01 1u95 n PRO 147 Cb 0.55 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.09 1u95 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1u95 s GLU 148 N -1.38 2.44 0.54 0.54 0.41 -1.26 -4.77 118.70 115.22 1u95 s GLU 148 Ca 0.00 1.14 0.07 0.00 -0.41 0.00 0.00 54.97 55.77 1u95 s GLU 148 Cb 0.00 -1.92 0.04 0.00 -1.78 0.00 0.00 34.13 30.47 1u95 s GLU 148 CO 0.00 -1.50 0.48 -1.25 -0.49 0.00 0.00 175.26 172.51 1u95 s PRO 149 N -4.86 2.29 0.07 0.39 0.04 -1.26 -4.98 135.00 126.70 1u95 s PRO 149 Ca 0.61 -1.90 0.04 0.00 0.04 0.00 0.00 61.00 59.80 1u95 s PRO 149 Cb -0.17 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 1u95 s PRO 149 CO 0.54 -0.63 -0.12 0.54 0.04 0.00 0.00 177.00 177.37 1u95 s VAL 150 N -2.72 1.00 -0.02 -0.36 0.11 -1.26 -4.48 120.40 112.66 1u95 s VAL 150 Ca 0.41 -1.35 0.05 0.00 -2.93 0.00 0.00 61.98 58.16 1u95 s VAL 150 Cb -0.03 -1.07 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 1u95 s VAL 150 CO 0.26 -0.32 -0.17 0.42 -3.33 0.00 0.00 175.10 171.96 1u95 s THR 151 N -1.54 2.84 -0.03 5.04 -4.23 -0.13 -4.96 115.64 112.63 1u95 s THR 151 Ca -0.01 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.63 1u95 s THR 151 Cb -0.08 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.65 1u95 s THR 151 CO 0.02 0.53 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.87 1u95 s VAL 152 N -0.75 0.67 0.24 2.29 1.01 -1.26 -0.74 120.40 121.86 1u95 s VAL 152 Ca 0.12 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1u95 s VAL 152 Cb -0.10 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1u95 s VAL 152 CO 0.01 0.22 0.09 -0.94 0.00 0.00 0.00 175.10 174.48 1u95 s SER 153 N 0.28 0.99 -0.02 3.32 1.04 -0.34 -4.96 113.70 114.02 1u95 s SER 153 Ca -0.04 -1.36 0.06 0.00 0.48 0.00 0.00 55.95 55.10 1u95 s SER 153 Cb -0.09 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 1u95 s SER 153 CO 0.00 -0.73 -0.21 0.26 0.98 0.00 0.00 173.24 173.55 1u95 s TRP 154 N -3.82 2.50 -1.25 5.02 0.52 -1.26 -0.22 118.94 120.43 1u95 s TRP 154 Ca 0.36 -0.31 -0.27 0.00 0.02 0.00 0.00 56.10 55.91 1u95 s TRP 154 Cb 0.07 -1.53 0.03 0.00 -1.15 0.00 0.00 33.47 30.89 1u95 s TRP 154 CO 0.12 0.10 0.61 0.09 0.02 0.00 0.00 176.95 177.89 1u95 n ASN 155 N 2.21 -3.58 -1.82 2.95 3.02 -0.14 -0.49 115.26 117.40 1u95 n ASN 155 Ca -0.17 -1.23 -0.11 0.00 -0.03 0.00 0.00 54.58 53.05 1u95 n ASN 155 Cb 0.52 -2.07 -0.03 0.00 -0.61 0.00 0.00 39.78 37.59 1u95 n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1u95 n SER 156 N -2.38 -3.10 0.00 6.41 7.64 -1.26 -0.67 113.62 120.26 1u95 n SER 156 Ca -0.14 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1u95 n SER 156 Cb 0.59 -2.83 0.00 0.00 -1.01 0.00 0.00 64.21 60.96 1u95 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u95 n GLY 157 N -0.45 0.45 0.18 0.23 0.00 0.36 -4.96 105.19 100.99 1u95 n GLY 157 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1u95 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u95 h ALA 158 N 0.00 0.85 -2.89 4.61 0.00 -0.70 -3.43 119.26 117.69 1u95 h ALA 158 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1u95 h ALA 158 Cb 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.58 1u95 h ALA 158 CO 0.00 0.00 -0.56 -1.17 0.00 0.00 0.00 179.25 177.52 1u95 s LEU 159 N -5.87 3.90 0.00 0.00 0.20 -1.02 -4.87 118.68 111.02 1u95 s LEU 159 Ca 0.05 -0.29 0.00 0.00 0.69 0.00 0.00 54.13 54.58 1u95 s LEU 159 Cb 0.07 -2.02 0.00 0.00 -0.43 0.00 0.00 46.19 43.81 1u95 s LEU 159 CO 0.70 -0.11 0.00 0.35 -0.29 0.00 0.00 176.35 177.00 1u95 n THR 160 N 4.99 0.00 -2.32 3.68 -2.24 -1.26 -4.09 114.28 113.04 1u95 n THR 160 Ca -0.15 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 1u95 n THR 160 Cb 0.51 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 1u95 n THR 160 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1u95 s SER 161 N -2.96 7.01 0.00 3.42 1.04 -1.26 -2.25 113.70 118.70 1u95 s SER 161 Ca 0.00 2.26 0.00 0.00 0.48 0.00 0.00 55.95 58.69 1u95 s SER 161 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1u95 s SER 161 CO 0.00 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1u95 n GLY 162 N 2.47 0.70 3.75 7.32 0.00 -1.26 -4.77 105.19 113.40 1u95 n GLY 162 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1u95 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u95 s VAL 163 N -2.62 5.03 -0.15 1.61 1.01 -0.95 -1.63 120.40 122.69 1u95 s VAL 163 Ca 0.00 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.14 1u95 s VAL 163 Cb 0.00 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.52 1u95 s VAL 163 CO 0.00 0.37 -0.00 -1.00 0.00 0.00 0.00 175.10 174.46 1u95 s HIS 164 N 0.20 1.17 -0.33 5.22 3.76 0.02 -5.00 115.29 120.32 1u95 s HIS 164 Ca 0.30 -0.76 -0.09 0.00 -0.15 0.00 0.00 55.06 54.37 1u95 s HIS 164 Cb -0.17 -1.07 0.02 0.00 1.11 0.00 0.00 32.58 32.47 1u95 s HIS 164 CO 0.15 -0.54 0.14 0.99 -0.85 0.00 0.00 174.74 174.63 1u95 s THR 165 N 1.81 4.24 0.56 1.30 2.01 -1.26 -0.35 115.64 123.95 1u95 s THR 165 Ca 0.01 -0.78 -0.15 0.00 0.31 0.00 0.00 61.69 61.07 1u95 s THR 165 Cb -0.15 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1u95 s THR 165 CO -0.07 -0.08 1.02 -0.36 -0.69 0.00 0.00 174.62 174.44 1u95 s PHE 166 N 1.52 3.30 0.41 4.92 0.40 -0.75 -5.00 117.98 122.78 1u95 s PHE 166 Ca 0.02 1.46 -0.25 0.00 -0.60 0.00 0.00 56.93 57.56 1u95 s PHE 166 Cb -0.18 -2.86 -0.08 0.00 0.51 0.00 0.00 43.02 40.41 1u95 s PHE 166 CO 0.05 -0.70 1.21 -1.25 0.70 0.00 0.00 175.22 175.22 1u95 s PRO 167 N -4.26 3.97 0.62 0.24 0.04 -1.26 -4.58 135.00 129.77 1u95 s PRO 167 Ca 0.60 1.92 -0.17 0.00 0.04 0.00 0.00 61.00 63.39 1u95 s PRO 167 Cb -0.12 -2.65 -0.02 0.00 0.04 0.00 0.00 34.50 31.75 1u95 s PRO 167 CO 0.37 -0.42 1.13 0.00 0.04 0.00 0.00 177.00 178.12 1u95 s ALA 168 N -1.39 2.53 0.05 8.56 0.00 -1.26 -4.83 121.76 125.41 1u95 s ALA 168 Ca 0.58 0.69 0.05 0.00 0.00 0.00 0.00 51.96 53.28 1u95 s ALA 168 Cb -0.32 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 1u95 s ALA 168 CO 0.41 -1.14 -0.10 0.14 0.00 0.00 0.00 175.76 175.07 1u95 s VAL 169 N -2.09 3.36 -0.37 0.00 -7.23 -0.29 -4.91 120.40 108.87 1u95 s VAL 169 Ca 0.70 -1.04 -0.18 0.00 -1.81 0.00 0.00 61.98 59.65 1u95 s VAL 169 Cb -0.23 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.22 1u95 s VAL 169 CO 0.36 0.28 0.51 -0.22 -0.31 0.00 0.00 175.10 175.72 1u95 s LEU 170 N -1.71 4.45 0.75 1.32 0.20 -1.26 -1.37 118.68 121.06 1u95 s LEU 170 Ca 0.18 -0.18 -0.11 0.00 0.69 0.00 0.00 54.13 54.71 1u95 s LEU 170 Cb -0.11 -2.56 0.04 0.00 -0.43 0.00 0.00 46.19 43.13 1u95 s LEU 170 CO 0.09 -0.52 1.08 -1.10 -0.29 0.00 0.00 176.35 175.61 1u95 s GLN 171 N 2.39 2.47 0.63 1.98 -0.21 -0.09 -4.91 119.66 121.92 1u95 s GLN 171 Ca 0.18 0.76 0.41 0.00 0.02 0.00 0.00 55.36 56.72 1u95 s GLN 171 Cb -0.16 -1.95 2.16 0.00 1.00 0.00 0.00 33.01 34.06 1u95 s GLN 171 CO 0.14 -1.38 2.28 0.66 -2.12 0.00 0.00 175.29 174.88 1u95 h SER 172 N -0.92 0.00 1.00 5.90 4.64 -1.97 0.13 113.55 122.34 1u95 h SER 172 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1u95 h SER 172 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1u95 h SER 172 CO 0.58 0.01 0.00 0.77 -0.87 0.00 0.00 176.83 177.32 1u95 h SER 173 N 0.00 0.00 0.00 4.97 4.64 -2.02 -3.46 113.55 117.67 1u95 h SER 173 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u95 h SER 173 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1u95 h SER 173 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1u95 n GLY 174 N 0.12 0.85 3.56 -0.77 0.00 0.45 -4.82 105.19 104.59 1u95 n GLY 174 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1u95 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u95 s LEU 175 N 0.00 2.98 0.55 0.99 1.43 -1.26 -4.57 118.68 118.80 1u95 s LEU 175 Ca 0.00 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1u95 s LEU 175 Cb 0.00 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1u95 s LEU 175 CO 0.00 0.16 0.82 -0.31 0.23 0.00 0.00 176.35 177.25 1u95 s TYR 176 N -1.30 3.14 -0.21 0.29 2.02 0.13 -0.91 117.35 120.50 1u95 s TYR 176 Ca 0.22 0.38 -0.20 0.00 -0.37 0.00 0.00 57.07 57.10 1u95 s TYR 176 Cb -0.11 -2.66 0.05 0.00 -0.40 0.00 0.00 41.96 38.85 1u95 s TYR 176 CO 0.13 -0.75 0.56 0.45 -1.57 0.00 0.00 175.55 174.37 1u95 s SER 177 N -4.32 -0.58 0.06 2.29 0.15 -0.47 -1.35 113.70 109.48 1u95 s SER 177 Ca 0.53 1.12 -0.10 0.00 0.70 0.00 0.00 55.95 58.20 1u95 s SER 177 Cb -0.10 1.13 0.01 0.00 -1.71 0.00 0.00 66.02 65.35 1u95 s SER 177 CO 0.42 -0.20 0.22 -1.48 1.20 0.00 0.00 173.24 173.39 1u95 s LEU 178 N 0.27 1.27 0.20 3.45 0.05 -0.60 -1.13 118.68 122.19 1u95 s LEU 178 Ca -0.00 -0.45 0.11 0.00 0.05 0.00 0.00 54.13 53.84 1u95 s LEU 178 Cb -0.04 1.09 -0.04 0.00 -2.05 0.00 0.00 46.19 45.14 1u95 s LEU 178 CO 0.01 -0.65 -0.20 -0.94 -0.55 0.00 0.00 176.35 174.03 1u95 s SER 179 N -2.41 3.66 -0.05 1.48 1.04 -1.26 0.60 113.70 116.76 1u95 s SER 179 Ca -0.01 -0.81 -0.01 0.00 0.48 0.00 0.00 55.95 55.60 1u95 s SER 179 Cb 0.01 -0.38 0.03 0.00 0.10 0.00 0.00 66.02 65.78 1u95 s SER 179 CO -0.07 0.11 0.01 -0.55 0.98 0.00 0.00 173.24 173.71 1u95 s SER 180 N -2.82 1.22 0.35 7.02 0.15 -0.40 -1.82 113.70 117.40 1u95 s SER 180 Ca 0.23 -0.04 0.05 0.00 0.70 0.00 0.00 55.95 56.88 1u95 s SER 180 Cb -0.08 -0.34 -0.07 0.00 -1.71 0.00 0.00 66.02 63.82 1u95 s SER 180 CO 0.12 -0.17 0.04 0.68 1.20 0.00 0.00 173.24 175.11 1u95 s VAL 181 N 1.74 1.42 -0.11 4.45 -7.23 0.52 -1.25 120.40 119.93 1u95 s VAL 181 Ca 0.01 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 1u95 s VAL 181 Cb -0.13 -2.84 0.04 0.00 0.56 0.00 0.00 36.38 34.01 1u95 s VAL 181 CO -0.04 -0.01 0.29 0.54 -0.31 0.00 0.00 175.10 175.58 1u95 s VAL 182 N -3.13 -0.01 -0.13 1.32 0.11 0.68 -0.80 120.40 118.44 1u95 s VAL 182 Ca 0.36 0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.41 1u95 s VAL 182 Cb 0.09 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1u95 s VAL 182 CO 0.16 0.02 0.02 -0.89 -3.33 0.00 0.00 175.10 171.08 1u95 s THR 183 N 0.52 4.47 0.08 5.04 2.01 -0.65 -1.76 115.64 125.35 1u95 s THR 183 Ca -0.03 -0.17 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 1u95 s THR 183 Cb -0.04 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 1u95 s THR 183 CO -0.03 0.55 0.04 0.68 -0.69 0.00 0.00 174.62 175.17 1u95 s VAL 184 N -0.33 0.17 0.21 3.82 -7.23 -0.58 -4.60 120.40 111.87 1u95 s VAL 184 Ca 0.07 -1.72 -0.32 0.00 -1.81 0.00 0.00 61.98 58.20 1u95 s VAL 184 Cb -0.12 -1.63 -0.12 0.00 0.56 0.00 0.00 36.38 35.06 1u95 s VAL 184 CO 0.02 -0.79 1.67 -2.65 -0.31 0.00 0.00 175.10 173.03 1u95 n PRO 185 N 0.02 2.61 0.00 4.82 -0.02 -1.26 -0.94 135.00 140.24 1u95 n PRO 185 Ca -0.12 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1u95 n PRO 185 Cb 0.62 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1u95 n PRO 185 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1u95 n SER 186 N 3.57 0.00 -0.11 2.55 2.88 -0.67 0.15 113.62 121.99 1u95 n SER 186 Ca 0.15 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.54 1u95 n SER 186 Cb 0.34 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.66 1u95 n SER 186 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1u95 n SER 187 N -0.66 1.22 0.12 -3.46 3.41 -1.26 -4.43 113.62 108.56 1u95 n SER 187 Ca 0.00 -0.07 0.20 0.00 -0.26 0.00 0.00 58.87 58.74 1u95 n SER 187 Cb 0.00 0.11 0.76 0.00 -0.26 0.00 0.00 64.21 64.82 1u95 n SER 187 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1u95 h SER 188 N 0.00 0.00 0.00 4.04 0.02 -0.64 -3.46 113.55 113.52 1u95 h SER 188 Ca -0.56 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1u95 h SER 188 Cb 2.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.58 1u95 h SER 188 CO -0.04 0.00 0.40 0.18 -1.14 0.00 0.00 176.83 176.24 1u95 n LEU 189 N -3.67 0.00 -1.23 5.07 4.77 -1.26 -4.73 117.00 115.95 1u95 n LEU 189 Ca 0.06 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1u95 n LEU 189 Cb 0.56 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1u95 n LEU 189 CO 0.26 -0.66 -0.10 1.67 -1.33 0.00 0.00 177.39 177.24 1u95 n GLN 192 N 3.11 -1.02 -4.08 3.23 -0.06 -1.26 -4.95 117.38 112.35 1u95 n GLN 192 Ca 0.00 0.75 -0.28 0.00 -2.00 0.00 0.00 57.00 55.48 1u95 n GLN 192 Cb 0.00 -1.24 -0.06 0.00 -4.06 0.00 0.00 30.24 24.88 1u95 n GLN 192 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 1u95 s THR 193 N -2.77 4.41 -0.17 1.69 -4.23 -1.26 -5.11 115.64 108.19 1u95 s THR 193 Ca 0.00 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1u95 s THR 193 Cb 0.00 -3.20 0.03 0.00 1.34 0.00 0.00 72.50 70.67 1u95 s THR 193 CO 0.00 -0.03 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.64 1u95 s TYR 194 N -1.61 2.10 -0.07 3.99 1.51 -1.26 -4.93 117.35 117.07 1u95 s TYR 194 Ca 0.30 -1.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.09 1u95 s TYR 194 Cb -0.11 -1.52 0.02 0.00 -0.11 0.00 0.00 41.96 40.24 1u95 s TYR 194 CO 0.22 -0.67 -0.11 -0.08 -1.11 0.00 0.00 175.55 173.80 1u95 s THR 195 N 1.51 1.05 -0.02 -0.71 -1.32 -1.26 -0.34 115.64 114.55 1u95 s THR 195 Ca 0.02 -0.42 -0.17 0.00 -1.21 0.00 0.00 61.69 59.91 1u95 s THR 195 Cb -0.15 -0.98 -0.05 0.00 -1.51 0.00 0.00 72.50 69.81 1u95 s THR 195 CO -0.09 0.34 0.46 0.00 -2.21 0.00 0.00 174.62 173.13 1u95 s ASN 197 N -0.55 5.10 -0.10 0.00 -0.87 0.69 -1.14 114.94 118.08 1u95 s ASN 197 Ca 0.26 -0.70 -0.01 0.00 -1.57 0.00 0.00 52.86 50.84 1u95 s ASN 197 Cb -0.17 -1.88 -0.03 0.00 -0.02 0.00 0.00 41.25 39.16 1u95 s ASN 197 CO 0.14 -0.18 -0.06 -0.69 -2.57 0.00 0.00 177.10 173.73 1u95 s VAL 198 N 1.50 3.76 -0.10 1.60 1.01 0.45 -1.20 120.40 127.42 1u95 s VAL 198 Ca 0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1u95 s VAL 198 Cb -0.17 -2.57 0.05 0.00 0.00 0.00 0.00 36.38 33.69 1u95 s VAL 198 CO 0.02 0.57 0.15 0.21 0.00 0.00 0.00 175.10 176.05 1u95 s ASN 199 N -0.41 0.96 -0.60 3.32 3.04 0.08 -1.09 114.94 120.23 1u95 s ASN 199 Ca 0.06 0.19 -0.04 0.00 0.04 0.00 0.00 52.86 53.12 1u95 s ASN 199 Cb -0.12 0.21 0.16 0.00 -1.54 0.00 0.00 41.25 39.96 1u95 s ASN 199 CO 0.02 -0.26 0.43 -2.28 -3.04 0.00 0.00 177.10 171.97 1u95 s HIS 200 N 2.28 3.46 0.19 0.43 5.65 -0.51 -0.96 115.29 125.83 1u95 s HIS 200 Ca 0.04 -2.59 -0.14 0.00 0.25 0.00 0.00 55.06 52.62 1u95 s HIS 200 Cb -0.13 -3.26 0.21 0.00 -1.18 0.00 0.00 32.58 28.22 1u95 s HIS 200 CO -0.06 -0.88 1.66 0.87 -0.65 0.00 0.00 174.74 175.68 1u95 h LYS 201 N 7.28 0.06 -0.98 2.88 1.79 -1.85 -2.48 116.57 123.27 1u95 h LYS 201 Ca -0.03 -0.00 0.33 0.00 -2.18 0.00 0.00 60.65 58.77 1u95 h LYS 201 Cb 0.98 -0.01 -0.16 0.00 -1.58 0.00 0.00 32.23 31.45 1u95 h LYS 201 CO 0.72 0.04 0.48 -1.35 -1.08 0.00 0.00 179.45 178.26 1u95 h PRO 202 N 0.06 0.19 -0.32 3.15 0.11 -1.92 -0.67 132.00 132.60 1u95 h PRO 202 Ca 0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1u95 h PRO 202 Cb 0.42 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1u95 h PRO 202 CO -0.50 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 176.29 1u95 n SER 203 N -5.16 2.94 -3.46 -2.05 3.41 -0.97 -4.97 113.62 103.37 1u95 n SER 203 Ca 0.31 -1.87 -0.23 0.00 -0.26 0.00 0.00 58.87 56.83 1u95 n SER 203 Cb 1.01 -0.21 0.06 0.00 -0.26 0.00 0.00 64.21 64.81 1u95 n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1u95 n ASN 204 N 0.92 -5.83 -3.88 4.04 3.02 -0.26 -4.85 115.26 108.42 1u95 n ASN 204 Ca 0.14 -0.85 -0.30 0.00 -0.03 0.00 0.00 54.58 53.54 1u95 n ASN 204 Cb 0.46 -4.37 -0.15 0.00 -0.61 0.00 0.00 39.78 35.10 1u95 n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1u95 s THR 205 N -3.43 1.39 -0.06 3.41 2.01 -1.11 -5.03 115.64 112.83 1u95 s THR 205 Ca 0.45 -1.43 0.01 0.00 0.31 0.00 0.00 61.69 61.02 1u95 s THR 205 Cb -0.11 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1u95 s THR 205 CO 0.80 -0.37 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.75 1u95 s LYS 206 N 1.41 2.76 -0.06 4.92 1.02 -1.26 -1.42 119.74 127.10 1u95 s LYS 206 Ca 0.02 -0.55 -0.05 0.00 0.02 0.00 0.00 55.97 55.41 1u95 s LYS 206 Cb -0.18 -2.61 0.02 0.00 -0.52 0.00 0.00 37.83 34.54 1u95 s LYS 206 CO -0.12 0.66 0.16 0.08 -0.92 0.00 0.00 175.35 175.21 1u95 s VAL 207 N -0.85 -0.01 -0.12 3.17 1.01 -0.25 -5.01 120.40 118.35 1u95 s VAL 207 Ca 0.13 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1u95 s VAL 207 Cb -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1u95 s VAL 207 CO 0.02 0.01 -0.22 -1.81 0.00 0.00 0.00 175.10 173.10 1u95 s ASP 208 N 0.28 3.14 -0.18 3.32 1.01 -1.26 -0.41 116.67 122.57 1u95 s ASP 208 Ca -0.02 -0.57 -0.00 0.00 0.71 0.00 0.00 52.55 52.67 1u95 s ASP 208 Cb -0.03 -1.44 0.04 0.00 1.01 0.00 0.00 42.92 42.51 1u95 s ASP 208 CO -0.01 0.12 -0.06 -0.75 0.21 0.00 0.00 175.17 174.68 1u95 s LYS 209 N 0.57 1.59 0.03 8.23 2.20 -0.29 -4.96 119.74 127.11 1u95 s LYS 209 Ca -0.13 -0.62 -0.27 0.00 -0.36 0.00 0.00 55.97 54.59 1u95 s LYS 209 Cb -0.17 -2.14 -0.05 0.00 -1.51 0.00 0.00 37.83 33.97 1u95 s LYS 209 CO 0.04 -0.44 0.85 0.50 -0.36 0.00 0.00 175.35 175.93 1u95 s ARG 210 N 1.57 4.55 -0.11 4.03 3.52 -1.26 -1.12 118.95 130.13 1u95 s ARG 210 Ca -0.00 1.20 0.03 0.00 -0.13 0.00 0.00 55.73 56.83 1u95 s ARG 210 Cb -0.16 -3.40 -0.00 0.00 -1.56 0.00 0.00 34.95 29.83 1u95 s ARG 210 CO -0.08 0.16 -0.21 0.08 -0.81 0.00 0.00 175.30 174.44 1u95 s VAL 211 N 0.34 2.32 0.23 7.11 1.01 0.54 -4.98 120.40 126.97 1u95 s VAL 211 Ca 0.43 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1u95 s VAL 211 Cb -0.21 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1u95 s VAL 211 CO 0.25 0.55 0.10 -1.83 0.00 0.00 0.00 175.10 174.17 1u95 s GLU 212 N 0.35 1.31 -0.57 2.72 -1.05 -1.26 -4.33 118.70 115.86 1u95 s GLU 212 Ca -0.17 -1.69 -0.15 0.00 -0.15 0.00 0.00 54.97 52.81 1u95 s GLU 212 Cb -0.17 -0.05 -0.14 0.00 -0.44 0.00 0.00 34.13 33.33 1u95 s GLU 212 CO 0.08 -0.32 1.79 -2.30 0.95 0.00 0.00 175.26 175.45 1u95 n PRO 213 N -0.37 1.21 0.00 -4.83 -0.02 -1.26 -4.82 135.00 124.91 1u95 n PRO 213 Ca 0.00 -1.39 0.00 0.00 -2.02 0.00 0.00 63.50 60.09 1u95 n PRO 213 Cb 0.66 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1u95 n PRO 213 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1u95 n LYS 214 N 6.03 0.00 -4.20 -0.52 0.00 -1.26 -4.81 118.16 113.40 1u95 n LYS 214 Ca 0.40 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 58.35 1u95 n LYS 214 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.27 1u95 n LYS 214 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1u95 n SER 215 N 0.00 -3.34 0.00 -5.58 7.64 -1.26 -5.21 113.62 105.87 1u95 n SER 215 Ca 0.00 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.88 1u95 n SER 215 Cb 0.00 -2.83 0.00 0.00 -1.01 0.00 0.00 64.21 60.37 1u95 n SER 215 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03