#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hi6 s LYS 2 N 0.00 1.97 0.30 1.45 1.02 -1.26 -2.71 119.74 120.51 2hi6 s LYS 2 Ca 0.00 -0.88 0.10 0.00 0.02 0.00 0.00 55.97 55.21 2hi6 s LYS 2 Cb 0.00 -1.92 -0.05 0.00 -0.52 0.00 0.00 37.83 35.34 2hi6 s LYS 2 CO 0.00 0.53 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.85 2hi6 s PHE 3 N -0.58 2.54 -0.11 3.18 0.08 0.11 -5.00 117.98 118.20 2hi6 s PHE 3 Ca 0.09 -0.32 0.03 0.00 0.12 0.00 0.00 56.93 56.85 2hi6 s PHE 3 Cb -0.09 -1.25 0.01 0.00 -0.57 0.00 0.00 43.02 41.12 2hi6 s PHE 3 CO -0.01 0.59 -0.20 0.00 -0.10 0.00 0.00 175.22 175.50 2hi6 s ALA 4 N -2.44 2.00 0.48 5.36 0.00 -1.26 -0.46 121.76 125.44 2hi6 s ALA 4 Ca 0.32 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2hi6 s ALA 4 Cb -0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 2hi6 s ALA 4 CO 0.19 0.08 0.01 0.00 0.00 0.00 0.00 175.76 176.04 2hi6 s ARG 6 N -3.83 4.09 0.29 0.00 6.06 0.77 -4.36 118.95 121.97 2hi6 s ARG 6 Ca 0.14 -0.14 -0.29 0.00 -2.50 0.00 0.00 55.73 52.94 2hi6 s ARG 6 Cb 0.04 -3.55 -0.10 0.00 0.06 0.00 0.00 34.95 31.41 2hi6 s ARG 6 CO 0.07 0.02 1.13 0.00 -2.50 0.00 0.00 175.30 174.02 2hi6 s ALA 7 N 1.18 3.42 -0.03 6.12 0.00 -1.26 -0.31 121.76 130.88 2hi6 s ALA 7 Ca 0.11 0.96 -0.06 0.00 0.00 0.00 0.00 51.96 52.96 2hi6 s ALA 7 Cb -0.14 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 2hi6 s ALA 7 CO 0.06 -0.24 -0.13 -0.89 0.00 0.00 0.00 175.76 174.55 2hi6 n ILE 8 N 1.12 1.13 -3.16 0.00 2.08 -0.40 -4.89 119.36 115.24 2hi6 n ILE 8 Ca -0.01 0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.48 2hi6 n ILE 8 Cb 0.44 -1.81 0.00 0.00 -0.75 0.00 0.00 39.64 37.52 2hi6 n ILE 8 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2hi6 n THR 9 N -3.75 0.00 -4.58 1.39 -2.24 -0.99 -4.98 114.28 99.12 2hi6 n THR 9 Ca -0.10 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.42 2hi6 n THR 9 Cb 0.32 -0.34 -0.11 0.00 -2.10 0.00 0.00 70.33 68.10 2hi6 n THR 9 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2hi6 s ARG 10 N -0.15 1.89 0.00 -0.78 3.00 -1.26 -4.64 118.95 117.01 2hi6 s ARG 10 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 55.73 53.70 2hi6 s ARG 10 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 34.95 33.29 2hi6 s ARG 10 CO 0.00 0.04 0.00 0.41 0.00 0.00 0.00 175.30 175.75 2hi6 n GLY 11 N -0.88 4.45 2.64 -3.53 0.00 -1.26 -3.83 105.19 102.77 2hi6 n GLY 11 Ca -0.05 -1.26 -0.24 0.00 0.00 0.00 0.00 46.02 44.48 2hi6 n GLY 11 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hi6 s ARG 12 N -4.42 0.02 0.22 1.61 3.00 -1.26 -0.16 118.95 117.96 2hi6 s ARG 12 Ca 0.00 0.10 -0.23 0.00 -1.00 0.00 0.00 55.73 54.60 2hi6 s ARG 12 Cb 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 34.95 33.70 2hi6 s ARG 12 CO 0.00 -0.53 0.84 0.00 0.00 0.00 0.00 175.30 175.62 2hi6 s ALA 13 N 2.15 -1.43 0.35 6.12 0.00 -0.79 -5.00 121.76 123.15 2hi6 s ALA 13 Ca 0.03 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 51.96 2hi6 s ALA 13 Cb -0.14 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 2hi6 s ALA 13 CO -0.07 -1.04 0.19 -1.83 0.00 0.00 0.00 175.76 173.01 2hi6 s GLU 14 N -3.55 2.45 -0.21 0.00 -1.05 -1.26 -0.49 118.70 114.60 2hi6 s GLU 14 Ca 0.12 -1.50 -0.34 0.00 -0.15 0.00 0.00 54.97 53.10 2hi6 s GLU 14 Cb -0.04 -2.25 0.15 0.00 -0.44 0.00 0.00 34.13 31.56 2hi6 s GLU 14 CO 0.05 0.08 1.22 0.20 0.95 0.00 0.00 175.26 177.76 2hi6 s GLY 15 N -3.90 -0.22 0.32 -3.83 0.00 -0.97 -4.87 107.32 93.86 2hi6 s GLY 15 Ca 0.39 1.87 -0.29 0.00 0.00 0.00 0.00 44.72 46.69 2hi6 s GLY 15 CO 0.24 0.68 1.52 -0.54 0.00 0.00 0.00 173.10 175.00 2hi6 s GLU 16 N -2.03 4.15 -0.49 2.90 2.02 -1.26 -1.71 118.70 122.28 2hi6 s GLU 16 Ca 0.08 2.52 -0.29 0.00 0.02 0.00 0.00 54.97 57.31 2hi6 s GLU 16 Cb -0.01 -3.01 0.03 0.00 0.10 0.00 0.00 34.13 31.23 2hi6 s GLU 16 CO -0.05 -0.54 1.21 0.00 0.02 0.00 0.00 175.26 175.91 2hi6 s ALA 17 N -0.52 3.09 -0.40 5.21 0.00 0.13 0.08 121.76 129.36 2hi6 s ALA 17 Ca 0.58 -0.48 -0.13 0.00 0.00 0.00 0.00 51.96 51.93 2hi6 s ALA 17 Cb -0.46 -3.94 0.03 0.00 0.00 0.00 0.00 23.12 18.75 2hi6 s ALA 17 CO 0.54 -2.39 0.26 -1.17 0.00 0.00 0.00 175.76 173.00 2hi6 s LEU 18 N 4.81 4.96 -0.22 0.00 0.20 0.49 -2.53 118.68 126.38 2hi6 s LEU 18 Ca 0.50 -1.00 0.02 0.00 0.69 0.00 0.00 54.13 54.34 2hi6 s LEU 18 Cb -0.09 -2.09 0.04 0.00 -0.43 0.00 0.00 46.19 43.63 2hi6 s LEU 18 CO 0.31 -0.44 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.10 2hi6 s VAL 19 N 1.61 2.05 -0.15 1.68 1.01 -1.26 -0.62 120.40 124.73 2hi6 s VAL 19 Ca 0.03 -1.31 -0.00 0.00 0.00 0.00 0.00 61.98 60.71 2hi6 s VAL 19 Cb -0.20 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.16 2hi6 s VAL 19 CO 0.08 0.19 -0.09 0.28 0.00 0.00 0.00 175.10 175.56 2hi6 s THR 20 N 1.21 1.26 -0.47 3.92 -1.32 -1.12 -4.54 115.64 114.57 2hi6 s THR 20 Ca -0.03 -0.55 0.09 0.00 -1.21 0.00 0.00 61.69 59.99 2hi6 s THR 20 Cb -0.17 -1.29 0.55 0.00 -1.51 0.00 0.00 72.50 70.08 2hi6 s THR 20 CO -0.08 0.31 1.38 1.17 -2.21 0.00 0.00 174.62 175.18 2hi6 n LYS 21 N 4.85 3.51 -3.78 7.08 4.81 -1.26 -4.38 118.16 128.99 2hi6 n LYS 21 Ca -0.14 -2.14 -0.33 0.00 -0.87 0.00 0.00 58.31 54.84 2hi6 n LYS 21 Cb 0.49 -2.01 -0.05 0.00 0.02 0.00 0.00 35.03 33.49 2hi6 n LYS 21 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2hi6 s GLU 22 N -2.21 3.55 -0.70 1.64 8.01 -1.26 -4.97 118.70 122.76 2hi6 s GLU 22 Ca 0.37 -0.18 -0.26 0.00 0.01 0.00 0.00 54.97 54.91 2hi6 s GLU 22 Cb 0.29 -3.00 0.04 0.00 -4.31 0.00 0.00 34.13 27.15 2hi6 s GLU 22 CO 0.11 0.58 1.16 1.52 0.01 0.00 0.00 175.26 178.64 2hi6 s TYR 23 N -1.46 2.44 -2.50 1.61 -0.85 -1.26 -4.81 117.35 110.52 2hi6 s TYR 23 Ca 0.33 -0.18 0.26 0.00 -0.52 0.00 0.00 57.07 56.96 2hi6 s TYR 23 Cb -0.13 -4.49 0.86 0.00 0.38 0.00 0.00 41.96 38.58 2hi6 s TYR 23 CO 0.22 -1.89 1.63 -0.89 -1.52 0.00 0.00 175.55 173.10 2hi6 n ILE 24 N 6.25 0.07 0.00 -3.49 2.08 -1.26 -4.93 119.36 118.08 2hi6 n ILE 24 Ca 0.01 -0.32 0.00 0.00 0.56 0.00 0.00 62.75 63.00 2hi6 n ILE 24 Cb 0.48 0.60 0.00 0.00 -0.75 0.00 0.00 39.64 39.97 2hi6 n ILE 24 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2hi6 n SER 25 N 0.39 0.00 0.00 4.38 7.64 -1.23 -4.38 113.62 120.42 2hi6 n SER 25 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2hi6 n SER 25 Cb 0.39 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 2hi6 n SER 25 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2hi6 n PHE 26 N -0.46 0.00 -1.65 1.43 7.35 -1.26 -3.64 117.46 119.24 2hi6 n PHE 26 Ca 0.00 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.31 2hi6 n PHE 26 Cb 0.00 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 2hi6 n PHE 26 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 2hi6 s LEU 27 N 0.00 3.40 -1.65 -2.13 1.98 -1.26 -1.86 118.68 117.16 2hi6 s LEU 27 Ca 0.00 1.14 0.00 0.00 -2.89 0.00 0.00 54.13 52.38 2hi6 s LEU 27 Cb 0.00 -2.73 0.00 0.00 0.66 0.00 0.00 46.19 44.12 2hi6 s LEU 27 CO 0.00 -2.61 0.00 0.61 -1.89 0.00 0.00 176.35 172.46 2hi6 n GLY 28 N 5.90 0.45 0.10 7.98 0.00 -1.26 -4.88 105.19 113.48 2hi6 n GLY 28 Ca 0.33 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2hi6 n GLY 28 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hi6 h GLY 29 N 0.00 0.00 -5.64 -0.02 0.00 -1.65 -3.42 103.07 92.34 2hi6 h GLY 29 Ca -0.40 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.36 2hi6 h GLY 29 CO 0.51 0.00 -0.84 -0.42 0.00 0.00 0.00 176.54 175.79 2hi6 s ILE 30 N -3.14 1.45 0.16 2.60 1.01 -1.26 0.35 121.20 122.36 2hi6 s ILE 30 Ca 0.08 -0.67 -0.31 0.00 0.00 0.00 0.00 60.65 59.75 2hi6 s ILE 30 Cb 0.12 -1.28 -0.10 0.00 0.01 0.00 0.00 42.46 41.21 2hi6 s ILE 30 CO 0.66 0.42 1.51 -0.62 0.00 0.00 0.00 174.94 176.91 2hi6 s ASP 31 N 0.50 6.65 0.00 3.58 -1.08 0.13 -4.86 116.67 121.58 2hi6 s ASP 31 Ca -0.15 2.55 0.30 0.00 -0.52 0.00 0.00 52.55 54.73 2hi6 s ASP 31 Cb -0.16 -2.59 1.49 0.00 -1.46 0.00 0.00 42.92 40.20 2hi6 s ASP 31 CO 0.05 -0.77 2.00 2.29 0.52 0.00 0.00 175.17 179.25 2hi6 n LYS 32 N 3.83 1.30 -0.11 4.34 2.85 -1.26 -1.40 118.16 127.71 2hi6 n LYS 32 Ca 0.13 -0.45 -0.20 0.00 -1.05 0.00 0.00 58.31 56.73 2hi6 n LYS 32 Cb 0.40 -1.49 -0.07 0.00 -0.65 0.00 0.00 35.03 33.22 2hi6 n LYS 32 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2hi6 n GLU 33 N -0.45 0.52 0.00 -1.58 -0.58 -1.26 -4.69 120.64 112.59 2hi6 n GLU 33 Ca 0.21 0.22 0.06 0.00 -0.42 0.00 0.00 57.16 57.23 2hi6 n GLU 33 Cb 0.23 -1.39 0.02 0.00 -0.57 0.00 0.00 31.44 29.73 2hi6 n GLU 33 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2hi6 n THR 34 N -4.23 0.00 -3.14 2.62 5.66 -1.25 -4.89 114.28 109.05 2hi6 n THR 34 Ca -0.37 -0.43 -0.14 0.00 -3.05 0.00 0.00 64.05 60.06 2hi6 n THR 34 Cb 0.72 1.19 0.06 0.00 -1.55 0.00 0.00 70.33 70.74 2hi6 n THR 34 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2hi6 n GLY 35 N 0.85 -0.08 3.48 1.09 0.00 -0.49 -4.73 105.19 105.30 2hi6 n GLY 35 Ca 0.06 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2hi6 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hi6 s ILE 36 N -3.23 3.63 0.09 -0.61 -1.09 -1.24 -1.93 121.20 116.81 2hi6 s ILE 36 Ca 0.25 -0.46 -0.31 0.00 -2.23 0.00 0.00 60.65 57.90 2hi6 s ILE 36 Cb -0.11 -2.56 -0.10 0.00 -1.58 0.00 0.00 42.46 38.12 2hi6 s ILE 36 CO 0.49 0.52 1.85 -0.69 -1.23 0.00 0.00 174.94 175.88 2hi6 s VAL 37 N 0.18 2.76 -0.02 2.92 1.01 -1.26 0.17 120.40 126.17 2hi6 s VAL 37 Ca -0.04 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 2hi6 s VAL 37 Cb -0.14 -3.07 -0.20 0.00 0.00 0.00 0.00 36.38 32.98 2hi6 s VAL 37 CO 0.03 -0.00 1.20 0.11 0.00 0.00 0.00 175.10 176.44 2hi6 h LYS 38 N 9.21 0.17 -6.50 2.72 1.79 -0.36 -3.36 116.57 120.24 2hi6 h LYS 38 Ca -0.47 -0.12 -0.53 0.00 -2.18 0.00 0.00 60.65 57.36 2hi6 h LYS 38 Cb 1.22 0.02 0.03 0.00 -1.58 0.00 0.00 32.23 31.92 2hi6 h LYS 38 CO 0.94 0.73 1.06 -2.00 -1.08 0.00 0.00 179.45 179.10 2hi6 s GLU 39 N -3.83 4.16 0.04 3.15 2.56 -1.25 -4.96 118.70 118.57 2hi6 s GLU 39 Ca -0.15 2.49 -0.27 0.00 0.00 0.00 0.00 54.97 57.04 2hi6 s GLU 39 Cb 0.02 -3.56 -0.05 0.00 2.00 0.00 0.00 34.13 32.54 2hi6 s GLU 39 CO 0.72 -0.79 0.84 0.34 -0.56 0.00 0.00 175.26 175.81 2hi6 s ASP 40 N 2.50 7.28 -0.14 -1.70 2.15 -1.26 -4.41 116.67 121.08 2hi6 s ASP 40 Ca 0.78 1.53 0.05 0.00 0.43 0.00 0.00 52.55 55.34 2hi6 s ASP 40 Cb -0.44 -2.51 0.17 0.00 -0.30 0.00 0.00 42.92 39.85 2hi6 s ASP 40 CO 0.35 -0.07 0.93 0.00 -0.17 0.00 0.00 175.17 176.21 2hi6 n GLU 42 N -0.65 0.00 0.01 0.00 2.13 -1.26 -4.58 120.64 116.29 2hi6 n GLU 42 Ca -0.09 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.86 2hi6 n GLU 42 Cb 0.65 -0.44 0.45 0.00 0.27 0.00 0.00 31.44 32.37 2hi6 n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2hi6 n ILE 43 N -0.01 0.05 -1.75 6.31 2.08 -1.26 -4.90 119.36 119.88 2hi6 n ILE 43 Ca 0.00 -0.03 -0.42 0.00 0.56 0.00 0.00 62.75 62.87 2hi6 n ILE 43 Cb 0.00 -0.20 -0.01 0.00 -0.75 0.00 0.00 39.64 38.67 2hi6 n ILE 43 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2hi6 n LYS 44 N -1.57 2.70 0.00 0.38 4.81 -1.26 -3.10 118.16 120.11 2hi6 n LYS 44 Ca 0.06 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 2hi6 n LYS 44 Cb 0.35 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.67 2hi6 n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hi6 n GLY 45 N 1.88 1.77 3.82 3.14 0.00 -1.26 -4.98 105.19 109.57 2hi6 n GLY 45 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 2hi6 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hi6 s GLU 46 N -0.43 4.11 0.08 1.61 0.41 -1.18 -4.95 118.70 118.34 2hi6 s GLU 46 Ca 0.00 0.64 -0.24 0.00 -0.41 0.00 0.00 54.97 54.96 2hi6 s GLU 46 Cb 0.00 -3.08 -0.06 0.00 -1.78 0.00 0.00 34.13 29.21 2hi6 s GLU 46 CO 0.00 0.55 0.73 -1.12 -0.49 0.00 0.00 175.26 174.94 2hi6 s SER 47 N -1.40 7.23 0.00 -0.19 0.01 -1.26 -3.99 113.70 114.10 2hi6 s SER 47 Ca 0.34 1.46 0.26 0.00 1.31 0.00 0.00 55.95 59.32 2hi6 s SER 47 Cb -0.17 -2.46 0.74 0.00 0.21 0.00 0.00 66.02 64.34 2hi6 s SER 47 CO 0.19 0.10 1.56 1.33 0.41 0.00 0.00 173.24 176.84 2hi6 n VAL 48 N 2.35 0.00 -1.80 3.43 0.24 -0.81 -4.72 118.33 117.02 2hi6 n VAL 48 Ca -0.05 -0.07 -0.28 0.00 -2.04 0.00 0.00 64.34 61.91 2hi6 n VAL 48 Cb 0.50 0.25 -0.05 0.00 -1.47 0.00 0.00 33.84 33.07 2hi6 n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hi6 s ALA 49 N -2.70 1.50 0.00 2.33 0.00 -1.24 -1.59 121.76 120.06 2hi6 s ALA 49 Ca 0.20 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2hi6 s ALA 49 Cb 0.19 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.85 2hi6 s ALA 49 CO 0.58 -4.84 0.00 0.41 0.00 0.00 0.00 175.76 171.91 2hi6 n GLY 50 N 6.38 0.88 3.70 0.00 0.00 -0.92 -4.95 105.19 110.29 2hi6 n GLY 50 Ca 0.37 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 2hi6 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hi6 s ARG 51 N -0.66 2.25 -0.25 1.61 0.52 -0.62 -4.07 118.95 117.74 2hi6 s ARG 51 Ca 0.00 -1.68 -0.14 0.00 -0.52 0.00 0.00 55.73 53.38 2hi6 s ARG 51 Cb 0.00 -2.05 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 2hi6 s ARG 51 CO 0.00 0.06 0.35 0.42 0.02 0.00 0.00 175.30 176.15 2hi6 s ILE 52 N -2.50 5.21 -0.38 1.52 -1.09 0.11 0.10 121.20 124.17 2hi6 s ILE 52 Ca 0.38 0.55 -0.19 0.00 -2.23 0.00 0.00 60.65 59.16 2hi6 s ILE 52 Cb -0.00 -3.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.21 2hi6 s ILE 52 CO 0.22 0.21 0.55 -0.22 -1.23 0.00 0.00 174.94 174.47 2hi6 s LEU 53 N 1.71 4.42 -0.41 2.97 2.96 0.43 -0.38 118.68 130.38 2hi6 s LEU 53 Ca 0.15 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 53.79 2hi6 s LEU 53 Cb -0.15 -2.62 0.04 0.00 0.50 0.00 0.00 46.19 43.96 2hi6 s LEU 53 CO 0.09 -0.57 0.28 -0.69 -1.32 0.00 0.00 176.35 174.13 2hi6 s VAL 54 N 2.51 4.80 -0.00 1.68 1.01 0.21 -0.27 120.40 130.34 2hi6 s VAL 54 Ca 0.20 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2hi6 s VAL 54 Cb -0.15 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 2hi6 s VAL 54 CO 0.15 -0.37 -0.07 0.12 0.00 0.00 0.00 175.10 174.92 2hi6 s PHE 55 N 1.58 0.66 -0.19 5.22 5.36 -0.19 -2.80 117.98 127.62 2hi6 s PHE 55 Ca 0.03 -0.13 -0.15 0.00 -0.96 0.00 0.00 56.93 55.72 2hi6 s PHE 55 Cb -0.21 -0.42 -0.08 0.00 -0.34 0.00 0.00 43.02 41.96 2hi6 s PHE 55 CO 0.07 -0.01 -0.17 -0.35 -1.46 0.00 0.00 175.22 173.29 2hi6 n PRO 56 N 2.86 0.52 -3.74 10.12 -0.05 -1.26 -3.19 135.00 140.25 2hi6 n PRO 56 Ca -0.13 0.42 -0.13 0.00 -0.05 0.00 0.00 63.50 63.60 2hi6 n PRO 56 Cb 0.57 -1.61 -0.11 0.00 -0.05 0.00 0.00 33.50 32.31 2hi6 n PRO 56 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 2hi6 s GLY 57 N -4.73 -0.28 0.00 0.55 0.00 -1.26 -3.88 107.32 97.73 2hi6 s GLY 57 Ca -0.25 1.08 0.00 0.00 0.00 0.00 0.00 44.72 45.55 2hi6 s GLY 57 CO 0.39 0.98 0.00 0.61 0.00 0.00 0.00 173.10 175.08 2hi6 n GLY 58 N 3.05 -0.00 0.00 0.20 0.00 -1.26 -4.29 105.19 102.89 2hi6 n GLY 58 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2hi6 n GLY 58 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hi6 n LYS 59 N -0.94 0.00 0.00 1.61 4.81 -1.24 -3.55 118.16 118.84 2hi6 n LYS 59 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2hi6 n LYS 59 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2hi6 n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hi6 n GLY 60 N 0.00 0.89 7.00 3.14 0.00 -1.24 -5.04 105.19 109.94 2hi6 n GLY 60 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2hi6 n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2hi6 n SER 61 N 0.00 -2.27 -3.44 1.61 2.88 -1.26 -4.24 113.62 106.90 2hi6 n SER 61 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 2hi6 n SER 61 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 2hi6 n SER 61 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2hi6 n THR 62 N -0.54 5.39 -0.06 2.46 5.66 -1.26 -4.70 114.28 121.22 2hi6 n THR 62 Ca 0.00 -5.65 -0.14 0.00 -3.05 0.00 0.00 64.05 55.21 2hi6 n THR 62 Cb 0.00 -1.48 -0.07 0.00 -1.55 0.00 0.00 70.33 67.23 2hi6 n THR 62 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2hi6 h VAL 63 N 2.24 1.35 0.00 1.08 2.07 -1.96 -3.48 116.25 117.56 2hi6 h VAL 63 Ca 0.51 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2hi6 h VAL 63 Cb 0.30 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2hi6 h VAL 63 CO 1.19 0.44 0.00 0.61 0.02 0.00 0.00 177.57 179.83 2hi6 n GLY 64 N 0.32 0.81 2.68 2.17 0.00 -1.26 -4.43 105.19 105.47 2hi6 n GLY 64 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 2hi6 n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hi6 n SER 65 N 0.00 -4.82 -0.18 1.61 3.41 -1.26 -4.78 113.62 107.60 2hi6 n SER 65 Ca 0.00 0.12 0.13 0.00 -0.26 0.00 0.00 58.87 58.85 2hi6 n SER 65 Cb 0.00 -3.28 0.34 0.00 -0.26 0.00 0.00 64.21 61.01 2hi6 n SER 65 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2hi6 n TYR 66 N -1.78 0.00 0.09 7.33 4.01 -1.26 -4.13 117.16 121.42 2hi6 n TYR 66 Ca -0.05 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.56 2hi6 n TYR 66 Cb 0.45 -0.15 -0.08 0.00 -0.31 0.00 0.00 39.34 39.25 2hi6 n TYR 66 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2hi6 h VAL 67 N 0.90 0.95 -0.83 -0.72 2.07 -1.86 -1.16 116.25 115.60 2hi6 h VAL 67 Ca 0.00 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2hi6 h VAL 67 Cb 0.51 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2hi6 h VAL 67 CO 0.00 0.07 0.40 -0.07 0.02 0.00 0.00 177.57 177.99 2hi6 h LEU 68 N -0.29 1.08 -0.33 2.57 3.38 -1.90 -1.08 115.31 118.73 2hi6 h LEU 68 Ca -0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2hi6 h LEU 68 Cb 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2hi6 h LEU 68 CO 0.03 0.91 0.14 0.25 0.09 0.00 0.00 178.44 179.86 2hi6 h LEU 69 N 1.18 0.44 -0.42 1.67 5.85 -1.70 -1.25 115.31 121.08 2hi6 h LEU 69 Ca 0.29 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2hi6 h LEU 69 Cb 0.11 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2hi6 h LEU 69 CO -0.04 0.46 0.15 -1.13 -0.34 0.00 0.00 178.44 177.55 2hi6 h ASN 70 N 0.38 0.59 -0.89 1.25 -1.24 -0.90 -2.06 115.58 112.71 2hi6 h ASN 70 Ca 0.11 -0.18 0.11 0.00 0.71 0.00 0.00 56.30 57.05 2hi6 h ASN 70 Cb 0.15 -0.15 -0.08 0.00 0.73 0.00 0.00 38.32 38.97 2hi6 h ASN 70 CO -0.01 0.61 0.52 -0.07 -1.29 0.00 0.00 177.43 177.19 2hi6 h LEU 71 N 0.53 0.74 -0.93 0.34 3.38 -1.01 -1.43 115.31 116.93 2hi6 h LEU 71 Ca 0.14 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2hi6 h LEU 71 Cb 0.22 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2hi6 h LEU 71 CO -0.01 0.39 0.02 -0.09 0.09 0.00 0.00 178.44 178.84 2hi6 h ARG 72 N 0.83 0.80 0.00 1.13 1.12 -0.71 0.10 114.38 117.65 2hi6 h ARG 72 Ca 0.44 -0.21 -0.06 0.00 -1.11 0.00 0.00 59.98 59.05 2hi6 h ARG 72 Cb 0.46 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.32 2hi6 h ARG 72 CO -0.27 0.80 -0.26 0.87 -3.11 0.00 0.00 179.97 177.99 2hi6 h LYS 73 N 0.75 0.00 0.00 0.20 1.79 -0.59 -2.68 116.57 116.04 2hi6 h LYS 73 Ca 0.15 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.53 2hi6 h LYS 73 Cb 0.43 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 2hi6 h LYS 73 CO 0.02 0.26 -1.55 -1.71 -1.08 0.00 0.00 179.45 175.39 2hi6 n ASN 74 N -3.54 0.53 0.00 0.86 5.15 -0.98 -4.98 115.26 112.30 2hi6 n ASN 74 Ca -0.01 0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.19 2hi6 n ASN 74 Cb 0.41 0.84 0.00 0.00 -0.53 0.00 0.00 39.78 40.50 2hi6 n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2hi6 n GLY 75 N 1.33 0.93 1.19 8.20 0.00 0.11 -4.97 105.19 111.98 2hi6 n GLY 75 Ca -0.08 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.88 2hi6 n GLY 75 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hi6 n VAL 76 N -2.13 2.50 -3.34 1.61 0.24 0.12 -4.75 118.33 112.58 2hi6 n VAL 76 Ca 0.00 -2.09 -0.27 0.00 -2.04 0.00 0.00 64.34 59.94 2hi6 n VAL 76 Cb 0.00 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.05 2hi6 n VAL 76 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hi6 s ALA 77 N -2.99 3.65 0.70 2.33 0.00 -1.12 -3.71 121.76 120.62 2hi6 s ALA 77 Ca 0.46 -0.65 -0.14 0.00 0.00 0.00 0.00 51.96 51.62 2hi6 s ALA 77 Cb 0.38 -2.25 0.02 0.00 0.00 0.00 0.00 23.12 21.28 2hi6 s ALA 77 CO 0.07 0.17 1.12 -1.25 0.00 0.00 0.00 175.76 175.88 2hi6 s PRO 78 N -3.75 2.52 0.13 0.00 0.04 -1.12 -2.17 135.00 130.65 2hi6 s PRO 78 Ca 0.43 1.42 -0.13 0.00 0.04 0.00 0.00 61.00 62.76 2hi6 s PRO 78 Cb -0.10 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2hi6 s PRO 78 CO 0.32 -1.48 1.50 0.87 0.04 0.00 0.00 177.00 178.25 2hi6 h LYS 79 N -0.30 0.81 -2.63 4.56 1.79 -0.53 -3.45 116.57 116.82 2hi6 h LYS 79 Ca -0.46 -0.36 0.10 0.00 -2.18 0.00 0.00 60.65 57.74 2hi6 h LYS 79 Cb 1.25 -0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 31.79 2hi6 h LYS 79 CO 0.52 0.99 0.37 0.00 -1.08 0.00 0.00 179.45 180.25 2hi6 s ALA 80 N -4.60 -1.56 -0.10 3.86 0.00 -1.25 -3.98 121.76 114.12 2hi6 s ALA 80 Ca -0.12 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 2hi6 s ALA 80 Cb 0.10 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.95 2hi6 s ALA 80 CO 0.84 -0.92 -0.04 0.42 0.00 0.00 0.00 175.76 176.06 2hi6 s ILE 81 N -3.51 0.78 -0.30 0.00 1.01 -0.16 -0.43 121.20 118.59 2hi6 s ILE 81 Ca 0.08 -0.17 -0.10 0.00 0.00 0.00 0.00 60.65 60.47 2hi6 s ILE 81 Cb -0.02 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 2hi6 s ILE 81 CO -0.02 0.29 0.15 -0.63 0.00 0.00 0.00 174.94 174.73 2hi6 s ILE 82 N 1.81 4.68 0.33 2.92 -1.09 0.63 -2.92 121.20 127.56 2hi6 s ILE 82 Ca 0.05 -0.29 0.08 0.00 -2.23 0.00 0.00 60.65 58.25 2hi6 s ILE 82 Cb -0.13 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 2hi6 s ILE 82 CO -0.07 0.13 0.13 0.20 -1.23 0.00 0.00 174.94 174.10 2hi6 s ASN 83 N 1.64 4.68 -0.02 3.58 0.02 -0.70 -1.02 114.94 123.13 2hi6 s ASN 83 Ca 0.05 -0.75 -0.23 0.00 -1.02 0.00 0.00 52.86 50.91 2hi6 s ASN 83 Cb -0.17 -0.75 -0.16 0.00 0.02 0.00 0.00 41.25 40.19 2hi6 s ASN 83 CO 0.07 -0.26 1.08 0.50 0.02 0.00 0.00 177.10 178.50 2hi6 h LYS 84 N 1.58 -0.28 0.00 -0.60 3.64 -1.66 -1.65 116.57 117.60 2hi6 h LYS 84 Ca -0.44 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.91 2hi6 h LYS 84 Cb 1.25 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 33.04 2hi6 h LYS 84 CO 0.63 0.10 -0.63 1.17 -2.27 0.00 0.00 179.45 178.44 2hi6 n LYS 85 N -5.02 0.02 -0.96 1.90 4.81 -1.26 -3.21 118.16 114.44 2hi6 n LYS 85 Ca -0.09 -1.28 0.00 0.00 -0.87 0.00 0.00 58.31 56.08 2hi6 n LYS 85 Cb 0.26 -0.38 0.00 0.00 0.02 0.00 0.00 35.03 34.93 2hi6 n LYS 85 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2hi6 n THR 86 N 0.11 -5.09 -2.92 3.15 -1.04 -1.26 -4.95 114.28 102.28 2hi6 n THR 86 Ca 0.02 1.23 -0.40 0.00 -2.04 0.00 0.00 64.05 62.85 2hi6 n THR 86 Cb 0.81 -2.83 -0.04 0.00 -1.82 0.00 0.00 70.33 66.46 2hi6 n THR 86 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2hi6 s GLU 87 N -2.56 4.49 0.11 -2.82 2.56 -1.26 -4.98 118.70 114.25 2hi6 s GLU 87 Ca 0.00 1.09 -0.21 0.00 0.00 0.00 0.00 54.97 55.84 2hi6 s GLU 87 Cb 0.00 -3.44 -0.08 0.00 2.00 0.00 0.00 34.13 32.61 2hi6 s GLU 87 CO 0.00 0.05 1.71 1.15 -0.56 0.00 0.00 175.26 177.62 2hi6 h THR 88 N 4.70 0.86 -0.23 -1.70 2.02 -1.96 0.18 112.91 116.78 2hi6 h THR 88 Ca -0.41 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.65 2hi6 h THR 88 Cb 1.21 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 2hi6 h THR 88 CO 0.75 0.00 -0.37 0.40 0.37 0.00 0.00 175.52 176.67 2hi6 h ILE 89 N -0.02 1.29 -0.34 3.11 2.04 -1.96 -2.69 117.51 118.94 2hi6 h ILE 89 Ca 0.06 -1.50 -0.14 0.00 1.00 0.00 0.00 64.86 64.27 2hi6 h ILE 89 Cb 0.11 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2hi6 h ILE 89 CO -0.12 0.47 -0.35 0.40 0.00 0.00 0.00 178.15 178.54 2hi6 h ILE 90 N 0.42 1.28 -0.54 -0.67 2.04 -1.85 -2.46 117.51 115.73 2hi6 h ILE 90 Ca 0.04 -1.51 0.02 0.00 1.00 0.00 0.00 64.86 64.40 2hi6 h ILE 90 Cb 0.84 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 2hi6 h ILE 90 CO 0.07 0.50 0.34 0.00 0.00 0.00 0.00 178.15 179.06 2hi6 h ALA 91 N 0.95 0.70 -0.06 1.87 0.00 -0.39 0.39 119.26 122.71 2hi6 h ALA 91 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2hi6 h ALA 91 Cb 0.90 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2hi6 h ALA 91 CO 0.08 0.09 0.03 0.28 0.00 0.00 0.00 179.25 179.73 2hi6 h VAL 92 N 0.69 1.10 -0.64 0.00 2.07 -1.41 -0.33 116.25 117.74 2hi6 h VAL 92 Ca 0.21 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2hi6 h VAL 92 Cb -0.03 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2hi6 h VAL 92 CO -0.07 0.09 0.28 1.23 0.02 0.00 0.00 177.57 179.11 2hi6 h GLY 93 N -0.02 1.01 1.15 2.17 0.00 -1.11 -2.05 103.07 104.23 2hi6 h GLY 93 Ca 0.02 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 2hi6 h GLY 93 CO -0.00 0.50 0.09 0.00 0.00 0.00 0.00 176.54 177.13 2hi6 h ALA 94 N 1.12 0.97 -0.66 3.60 0.00 -0.13 -0.31 119.26 123.85 2hi6 h ALA 94 Ca 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2hi6 h ALA 94 Cb 0.17 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2hi6 h ALA 94 CO -0.02 0.65 0.27 0.00 0.00 0.00 0.00 179.25 180.14 2hi6 h ALA 95 N 1.12 0.85 -0.13 0.00 0.00 -0.81 0.30 119.26 120.60 2hi6 h ALA 95 Ca 0.19 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 2hi6 h ALA 95 Cb 0.43 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2hi6 h ALA 95 CO 0.01 0.47 -0.66 0.52 0.00 0.00 0.00 179.25 179.59 2hi6 h MET 96 N 0.93 0.50 -0.28 0.00 2.86 -1.09 -3.17 114.93 114.67 2hi6 h MET 96 Ca 0.22 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2hi6 h MET 96 Cb 0.20 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2hi6 h MET 96 CO -0.02 0.99 0.00 0.00 1.06 0.00 0.00 176.91 178.94 2hi6 n ALA 97 N -2.52 2.48 -3.55 6.32 0.00 -0.15 -4.93 120.51 118.14 2hi6 n ALA 97 Ca -0.04 -0.69 -0.19 0.00 0.00 0.00 0.00 53.44 52.52 2hi6 n ALA 97 Cb 0.67 -1.01 0.06 0.00 0.00 0.00 0.00 19.45 19.17 2hi6 n ALA 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2hi6 n GLU 98 N 0.69 -5.45 -3.77 0.00 -0.58 -0.38 -4.95 120.64 106.19 2hi6 n GLU 98 Ca 0.16 0.73 -0.35 0.00 -0.42 0.00 0.00 57.16 57.29 2hi6 n GLU 98 Cb 0.40 -5.50 -0.11 0.00 -0.57 0.00 0.00 31.44 25.66 2hi6 n GLU 98 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2hi6 s ILE 99 N -3.51 3.45 -0.38 -3.67 1.01 0.93 -4.97 121.20 114.05 2hi6 s ILE 99 Ca 0.04 -3.06 -0.34 0.00 0.00 0.00 0.00 60.65 57.29 2hi6 s ILE 99 Cb -0.01 -3.27 -0.15 0.00 0.01 0.00 0.00 42.46 39.04 2hi6 s ILE 99 CO 0.77 -0.86 1.53 -2.65 0.00 0.00 0.00 174.94 173.73 2hi6 n PRO 100 N 3.38 0.00 -4.41 2.79 -0.02 -1.25 -4.44 135.00 131.06 2hi6 n PRO 100 Ca 0.07 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.22 2hi6 n PRO 100 Cb 0.36 -1.15 -0.13 0.00 -0.02 0.00 0.00 33.50 32.57 2hi6 n PRO 100 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2hi6 s LEU 101 N 4.00 3.13 0.12 2.45 1.98 -1.26 -0.99 118.68 128.11 2hi6 s LEU 101 Ca 0.89 -0.19 0.01 0.00 -2.89 0.00 0.00 54.13 51.95 2hi6 s LEU 101 Cb -1.15 -1.75 -0.04 0.00 0.66 0.00 0.00 46.19 43.91 2hi6 s LEU 101 CO 0.54 0.15 -0.02 0.68 -1.89 0.00 0.00 176.35 175.80 2hi6 s VAL 102 N 0.50 0.55 -0.21 1.68 -7.23 -1.15 -1.28 120.40 113.26 2hi6 s VAL 102 Ca -0.04 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.18 2hi6 s VAL 102 Cb -0.15 -1.86 0.01 0.00 0.56 0.00 0.00 36.38 34.95 2hi6 s VAL 102 CO 0.03 -0.70 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.31 2hi6 s GLU 103 N -3.90 3.11 -0.20 4.82 2.12 0.57 -1.72 118.70 123.51 2hi6 s GLU 103 Ca 0.17 -0.78 -0.11 0.00 0.36 0.00 0.00 54.97 54.62 2hi6 s GLU 103 Cb 0.06 -2.82 -0.05 0.00 0.26 0.00 0.00 34.13 31.58 2hi6 s GLU 103 CO -0.02 -0.24 0.16 0.08 -0.54 0.00 0.00 175.26 174.70 2hi6 s VAL 104 N 1.37 5.39 -0.41 3.70 1.01 -0.62 -0.16 120.40 130.67 2hi6 s VAL 104 Ca 0.04 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.31 2hi6 s VAL 104 Cb -0.14 -3.50 0.45 0.00 0.00 0.00 0.00 36.38 33.19 2hi6 s VAL 104 CO -0.07 0.41 1.40 0.54 0.00 0.00 0.00 175.10 177.38 2hi6 n ARG 105 N 3.69 2.59 -3.58 2.72 5.12 -1.26 -4.60 116.66 121.34 2hi6 n ARG 105 Ca -0.15 -1.86 -0.22 0.00 -1.93 0.00 0.00 57.85 53.68 2hi6 n ARG 105 Cb 0.52 -1.84 -0.16 0.00 -1.16 0.00 0.00 32.46 29.82 2hi6 n ARG 105 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2hi6 s ASP 106 N -0.43 1.77 0.40 0.55 2.15 -1.26 -4.99 116.67 114.86 2hi6 s ASP 106 Ca 0.34 -0.33 0.19 0.00 0.43 0.00 0.00 52.55 53.17 2hi6 s ASP 106 Cb 0.27 0.02 0.83 0.00 -0.30 0.00 0.00 42.92 43.74 2hi6 s ASP 106 CO 0.08 -0.32 1.81 -0.08 -0.17 0.00 0.00 175.17 176.49 2hi6 h GLU 107 N 8.38 0.00 0.00 4.34 4.22 -1.99 -2.75 114.58 126.79 2hi6 h GLU 107 Ca -0.15 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.29 2hi6 h GLU 107 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2hi6 h GLU 107 CO 0.26 0.33 0.00 0.87 -2.18 0.00 0.00 179.01 178.29 2hi6 h LYS 108 N 0.00 0.00 -0.46 1.92 1.79 -1.99 0.15 116.57 117.99 2hi6 h LYS 108 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2hi6 h LYS 108 Cb 0.75 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.37 2hi6 h LYS 108 CO 0.04 0.00 0.26 0.35 -1.08 0.00 0.00 179.45 179.02 2hi6 h PHE 109 N 0.00 0.61 0.00 -1.35 3.57 -1.92 -0.52 116.94 117.34 2hi6 h PHE 109 Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2hi6 h PHE 109 Cb 0.18 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 2hi6 h PHE 109 CO 0.00 0.45 -0.08 0.74 -2.23 0.00 0.00 178.31 177.18 2hi6 h PHE 110 N 0.60 0.00 0.06 0.41 -1.00 -0.87 0.13 116.94 116.27 2hi6 h PHE 110 Ca 0.16 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.67 2hi6 h PHE 110 Cb 0.03 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 2hi6 h PHE 110 CO -0.03 0.08 -1.37 1.49 -1.61 0.00 0.00 178.31 176.88 2hi6 h GLU 111 N 0.00 0.12 0.06 1.51 4.81 -1.17 -3.37 114.58 116.54 2hi6 h GLU 111 Ca -0.00 -0.21 -0.17 0.00 -0.13 0.00 0.00 59.36 58.85 2hi6 h GLU 111 Cb 0.48 0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.96 2hi6 h GLU 111 CO 0.01 0.97 -0.70 0.00 -0.73 0.00 0.00 179.01 178.56 2hi6 h ALA 112 N 0.76 -0.00 -2.33 2.92 0.00 -0.15 -3.43 119.26 117.03 2hi6 h ALA 112 Ca -0.17 -0.63 -0.58 0.00 0.00 0.00 0.00 54.91 53.54 2hi6 h ALA 112 Cb 1.93 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.72 2hi6 h ALA 112 CO 0.14 0.36 0.46 0.54 0.00 0.00 0.00 179.25 180.76 2hi6 s VAL 113 N -2.86 4.84 0.10 0.00 0.11 0.36 -5.03 120.40 117.92 2hi6 s VAL 113 Ca -0.13 1.74 0.05 0.00 -2.93 0.00 0.00 61.98 60.71 2hi6 s VAL 113 Cb 0.02 -4.18 -0.03 0.00 -1.53 0.00 0.00 36.38 30.66 2hi6 s VAL 113 CO 0.83 -0.00 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.92 2hi6 s LYS 114 N 2.25 0.92 -0.31 1.54 1.02 -1.26 -4.78 119.74 119.11 2hi6 s LYS 114 Ca 0.40 -1.11 -0.29 0.00 0.02 0.00 0.00 55.97 55.00 2hi6 s LYS 114 Cb -0.17 -0.84 -0.07 0.00 -0.52 0.00 0.00 37.83 36.23 2hi6 s LYS 114 CO 0.13 0.17 2.28 2.41 -0.92 0.00 0.00 175.35 179.41 2hi6 n THR 115 N 0.86 0.21 0.00 2.17 -1.04 -1.24 -3.33 114.28 111.92 2hi6 n THR 115 Ca -0.18 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.32 2hi6 n THR 115 Cb 0.56 -2.47 0.00 0.00 -1.82 0.00 0.00 70.33 66.60 2hi6 n THR 115 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hi6 n GLY 116 N 5.95 2.28 0.00 3.41 0.00 -1.05 -4.98 105.19 110.80 2hi6 n GLY 116 Ca 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2hi6 n GLY 116 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hi6 n ASP 117 N 0.00 0.11 -4.58 1.61 -0.08 -1.21 -4.79 116.55 107.61 2hi6 n ASP 117 Ca 0.00 -0.70 -0.34 0.00 -1.51 0.00 0.00 54.79 52.25 2hi6 n ASP 117 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 2hi6 n ASP 117 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2hi6 s ARG 118 N -0.51 2.90 -0.16 -0.67 3.00 -1.20 0.21 118.95 122.52 2hi6 s ARG 118 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 55.73 55.21 2hi6 s ARG 118 Cb 0.00 -2.65 0.01 0.00 0.00 0.00 0.00 34.95 32.31 2hi6 s ARG 118 CO 0.00 0.61 -0.21 0.08 0.00 0.00 0.00 175.30 175.78 2hi6 s VAL 119 N -0.65 2.11 -0.38 3.52 1.01 -0.69 -2.06 120.40 123.26 2hi6 s VAL 119 Ca 0.10 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 2hi6 s VAL 119 Cb -0.12 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.40 2hi6 s VAL 119 CO 0.02 0.54 0.27 -0.69 0.00 0.00 0.00 175.10 175.24 2hi6 s VAL 120 N 1.04 5.26 -0.01 2.92 1.01 -0.63 -2.30 120.40 127.70 2hi6 s VAL 120 Ca -0.01 -0.45 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 2hi6 s VAL 120 Cb -0.14 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2hi6 s VAL 120 CO -0.07 -0.16 0.69 0.54 0.00 0.00 0.00 175.10 176.10 2hi6 s VAL 121 N 1.70 4.88 -0.40 2.92 0.11 0.36 -1.82 120.40 128.14 2hi6 s VAL 121 Ca 0.05 1.46 0.02 0.00 -2.93 0.00 0.00 61.98 60.58 2hi6 s VAL 121 Cb -0.18 -4.04 0.12 0.00 -1.53 0.00 0.00 36.38 30.75 2hi6 s VAL 121 CO 0.10 0.34 0.17 0.21 -3.33 0.00 0.00 175.10 172.59 2hi6 s ASN 122 N 0.18 4.13 0.00 3.54 3.84 0.09 -1.89 114.94 124.83 2hi6 s ASN 122 Ca 0.36 -2.36 0.24 0.00 0.21 0.00 0.00 52.86 51.30 2hi6 s ASN 122 Cb -0.19 -1.25 0.85 0.00 -0.55 0.00 0.00 41.25 40.11 2hi6 s ASN 122 CO 0.20 -0.32 1.62 0.00 -2.79 0.00 0.00 177.10 175.80 2hi6 n ALA 123 N 3.93 2.54 0.02 1.71 0.00 0.77 0.37 120.51 129.84 2hi6 n ALA 123 Ca 0.04 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.84 2hi6 n ALA 123 Cb 0.37 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 2hi6 n ALA 123 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2hi6 h ASP 124 N 2.35 0.68 0.00 0.00 1.82 -1.87 -3.35 116.42 116.04 2hi6 h ASP 124 Ca 0.00 -0.45 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 2hi6 h ASP 124 Cb 0.51 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.32 2hi6 h ASP 124 CO 0.00 1.22 -0.83 -0.62 -1.61 0.00 0.00 179.24 177.40 2hi6 n GLU 125 N -3.87 2.40 -1.74 0.28 1.02 -1.24 -5.03 120.64 112.46 2hi6 n GLU 125 Ca -0.06 -0.03 -0.01 0.00 -0.02 0.00 0.00 57.16 57.04 2hi6 n GLU 125 Cb 0.74 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 31.17 2hi6 n GLU 125 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hi6 n GLY 126 N 1.68 -0.11 3.13 0.62 0.00 -0.57 -4.84 105.19 105.09 2hi6 n GLY 126 Ca -0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 2hi6 n GLY 126 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2hi6 s TYR 127 N -3.02 -0.14 -0.28 1.61 6.14 0.16 -1.88 117.35 119.94 2hi6 s TYR 127 Ca 0.02 0.31 0.01 0.00 0.64 0.00 0.00 57.07 58.05 2hi6 s TYR 127 Cb -0.00 0.04 0.08 0.00 0.42 0.00 0.00 41.96 42.50 2hi6 s TYR 127 CO 0.11 -0.21 0.02 0.08 0.64 0.00 0.00 175.55 176.18 2hi6 s VAL 128 N -0.59 1.43 -0.45 3.14 1.01 0.39 -0.74 120.40 124.60 2hi6 s VAL 128 Ca -0.07 -1.48 -0.17 0.00 0.00 0.00 0.00 61.98 60.26 2hi6 s VAL 128 Cb -0.04 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.48 2hi6 s VAL 128 CO 0.01 -0.39 0.46 -1.83 0.00 0.00 0.00 175.10 173.36 2hi6 s GLU 129 N 1.38 3.07 -0.10 2.72 -1.05 -0.76 0.06 118.70 124.03 2hi6 s GLU 129 Ca 0.03 -0.92 -0.24 0.00 -0.15 0.00 0.00 54.97 53.69 2hi6 s GLU 129 Cb -0.18 -4.03 -0.03 0.00 -0.44 0.00 0.00 34.13 29.45 2hi6 s GLU 129 CO -0.12 -0.96 0.76 -1.17 0.95 0.00 0.00 175.26 174.72 2hi6 s LEU 130 N 2.11 4.27 -0.27 1.83 2.96 -1.10 -1.60 118.68 126.89 2hi6 s LEU 130 Ca 0.11 1.20 -0.00 0.00 -0.22 0.00 0.00 54.13 55.22 2hi6 s LEU 130 Cb -0.19 -3.16 0.05 0.00 0.50 0.00 0.00 46.19 43.39 2hi6 s LEU 130 CO 0.12 -0.22 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.24 2hi6 s ILE 131 N 1.26 2.66 -2.30 6.68 -1.09 -0.88 -4.15 121.20 123.38 2hi6 s ILE 131 Ca 0.38 -1.38 0.30 0.00 -2.23 0.00 0.00 60.65 57.72 2hi6 s ILE 131 Cb -0.18 -2.49 0.69 0.00 -1.58 0.00 0.00 42.46 38.91 2hi6 s ILE 131 CO 0.17 0.01 1.94 -0.62 -1.23 0.00 0.00 174.94 175.21