#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hi6 n LYS 2 N 0.00 -1.69 -3.78 5.55 5.02 -1.26 -5.01 118.16 116.99 2hi6 n LYS 2 Ca 0.00 1.67 -0.37 0.00 -2.02 0.00 0.00 58.31 57.59 2hi6 n LYS 2 Cb 0.00 -4.80 -0.07 0.00 -0.02 0.00 0.00 35.03 30.15 2hi6 n LYS 2 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2hi6 s PHE 3 N -2.42 3.56 -0.35 2.13 0.08 -0.85 -4.98 117.98 115.15 2hi6 s PHE 3 Ca 0.15 0.54 -0.08 0.00 0.12 0.00 0.00 56.93 57.66 2hi6 s PHE 3 Cb -0.04 -2.06 0.03 0.00 -0.57 0.00 0.00 43.02 40.38 2hi6 s PHE 3 CO 0.60 0.58 0.14 0.00 -0.10 0.00 0.00 175.22 176.45 2hi6 s ALA 4 N -0.58 3.15 0.46 5.36 0.00 -1.26 -0.66 121.76 128.23 2hi6 s ALA 4 Ca 0.14 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2hi6 s ALA 4 Cb -0.12 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.61 2hi6 s ALA 4 CO 0.04 -1.31 0.01 0.00 0.00 0.00 0.00 175.76 174.50 2hi6 s ARG 6 N -3.68 4.07 -0.00 0.00 6.06 -0.86 -4.48 118.95 120.06 2hi6 s ARG 6 Ca 0.01 0.40 -0.14 0.00 -2.50 0.00 0.00 55.73 53.49 2hi6 s ARG 6 Cb -0.00 -3.66 -0.06 0.00 0.06 0.00 0.00 34.95 31.30 2hi6 s ARG 6 CO 0.00 -0.38 0.40 0.00 -2.50 0.00 0.00 175.30 172.82 2hi6 s ALA 7 N 2.39 3.71 -0.08 6.12 0.00 -1.26 -0.40 121.76 132.24 2hi6 s ALA 7 Ca 0.23 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 2hi6 s ALA 7 Cb -0.16 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 2hi6 s ALA 7 CO 0.09 0.49 -0.09 -0.89 0.00 0.00 0.00 175.76 175.36 2hi6 n ILE 8 N 1.81 0.45 -3.86 0.00 -0.00 -1.19 -4.99 119.36 111.59 2hi6 n ILE 8 Ca -0.14 -0.14 -0.26 0.00 -0.00 0.00 0.00 62.75 62.21 2hi6 n ILE 8 Cb 0.52 -1.24 -0.01 0.00 -0.00 0.00 0.00 39.64 38.92 2hi6 n ILE 8 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 2hi6 s THR 9 N -2.15 1.77 0.44 1.39 2.01 -1.22 -5.06 115.64 112.81 2hi6 s THR 9 Ca -0.11 -1.48 0.03 0.00 0.31 0.00 0.00 61.69 60.44 2hi6 s THR 9 Cb 0.04 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.33 2hi6 s THR 9 CO 0.16 0.00 0.26 0.54 -0.69 0.00 0.00 174.62 174.89 2hi6 n ARG 10 N -1.74 0.86 0.00 4.92 1.74 -1.26 -4.68 116.66 116.50 2hi6 n ARG 10 Ca -0.01 -2.88 0.00 0.00 -0.77 0.00 0.00 57.85 54.20 2hi6 n ARG 10 Cb 0.64 0.42 0.00 0.00 -1.02 0.00 0.00 32.46 32.50 2hi6 n ARG 10 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hi6 n GLY 11 N -0.35 1.43 3.14 -0.13 0.00 -1.26 -4.05 105.19 103.97 2hi6 n GLY 11 Ca -0.05 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 2hi6 n GLY 11 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hi6 s ARG 12 N -1.74 0.24 -0.02 1.61 1.70 -1.26 -0.25 118.95 119.24 2hi6 s ARG 12 Ca 0.00 0.89 0.06 0.00 -0.47 0.00 0.00 55.73 56.21 2hi6 s ARG 12 Cb 0.00 0.14 -0.01 0.00 -0.57 0.00 0.00 34.95 34.51 2hi6 s ARG 12 CO 0.00 -0.28 -0.19 0.00 -1.08 0.00 0.00 175.30 173.76 2hi6 s ALA 13 N 2.52 1.57 -0.12 7.88 0.00 0.42 -4.97 121.76 129.08 2hi6 s ALA 13 Ca -0.00 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.18 2hi6 s ALA 13 Cb -0.12 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.59 2hi6 s ALA 13 CO -0.11 0.37 -0.16 -1.83 0.00 0.00 0.00 175.76 174.03 2hi6 s GLU 14 N -0.37 2.37 0.00 0.00 1.03 -1.26 0.26 118.70 120.73 2hi6 s GLU 14 Ca 0.06 -0.61 0.00 0.00 0.03 0.00 0.00 54.97 54.44 2hi6 s GLU 14 Cb -0.08 -1.99 0.00 0.00 -0.80 0.00 0.00 34.13 31.26 2hi6 s GLU 14 CO -0.00 -0.06 0.00 0.41 -1.33 0.00 0.00 175.26 174.28 2hi6 n GLY 15 N 4.19 1.35 3.72 -3.83 0.00 -0.61 -5.01 105.19 105.00 2hi6 n GLY 15 Ca -0.19 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 2hi6 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hi6 s GLU 16 N 0.73 4.46 -0.07 1.61 2.02 -1.26 -0.88 118.70 125.32 2hi6 s GLU 16 Ca 0.00 1.74 -0.26 0.00 0.02 0.00 0.00 54.97 56.48 2hi6 s GLU 16 Cb 0.00 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 2hi6 s GLU 16 CO 0.00 -0.20 0.80 0.00 0.02 0.00 0.00 175.26 175.89 2hi6 s ALA 17 N 0.85 3.32 -0.23 5.21 0.00 0.65 -0.38 121.76 131.18 2hi6 s ALA 17 Ca 0.57 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.77 2hi6 s ALA 17 Cb -0.29 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 19.76 2hi6 s ALA 17 CO 0.30 -0.23 -0.13 -1.17 0.00 0.00 0.00 175.76 174.53 2hi6 s LEU 18 N 1.09 2.92 -0.20 0.00 0.20 0.11 -1.33 118.68 121.47 2hi6 s LEU 18 Ca 0.42 -1.02 -0.07 0.00 0.69 0.00 0.00 54.13 54.15 2hi6 s LEU 18 Cb -0.18 -1.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 2hi6 s LEU 18 CO 0.20 -0.11 0.05 -0.69 -0.29 0.00 0.00 176.35 175.51 2hi6 s VAL 19 N 1.22 4.51 -0.37 1.68 1.01 -1.26 -0.53 120.40 126.66 2hi6 s VAL 19 Ca -0.02 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2hi6 s VAL 19 Cb -0.17 -3.05 0.12 0.00 0.00 0.00 0.00 36.38 33.28 2hi6 s VAL 19 CO -0.08 0.42 0.16 -0.89 0.00 0.00 0.00 175.10 174.71 2hi6 s THR 20 N 0.82 1.28 -1.15 3.92 2.01 -0.02 -4.77 115.64 117.72 2hi6 s THR 20 Ca 0.03 -2.04 -0.18 0.00 0.31 0.00 0.00 61.69 59.81 2hi6 s THR 20 Cb -0.14 -1.93 0.11 0.00 0.01 0.00 0.00 72.50 70.55 2hi6 s THR 20 CO 0.02 -0.77 1.49 -0.75 -0.69 0.00 0.00 174.62 173.92 2hi6 s LYS 21 N 0.96 3.87 0.16 4.92 2.20 -1.26 -4.20 119.74 126.39 2hi6 s LYS 21 Ca 0.14 -1.95 -0.23 0.00 -0.36 0.00 0.00 55.97 53.56 2hi6 s LYS 21 Cb -0.21 -5.26 0.07 0.00 -1.51 0.00 0.00 37.83 30.92 2hi6 s LYS 21 CO -0.11 -2.02 0.64 -2.00 -0.36 0.00 0.00 175.35 171.50 2hi6 s GLU 22 N 3.33 1.29 -0.83 4.03 2.56 -1.26 -5.06 118.70 122.75 2hi6 s GLU 22 Ca 0.45 -0.51 -0.12 0.00 0.00 0.00 0.00 54.97 54.79 2hi6 s GLU 22 Cb -0.00 0.57 0.22 0.00 2.00 0.00 0.00 34.13 36.92 2hi6 s GLU 22 CO -0.01 -0.57 0.77 0.71 -0.56 0.00 0.00 175.26 175.60 2hi6 s TYR 23 N -3.70 3.78 0.43 5.30 2.02 -1.26 -4.31 117.35 119.60 2hi6 s TYR 23 Ca 0.02 -2.13 0.07 0.00 -0.37 0.00 0.00 57.07 54.67 2hi6 s TYR 23 Cb -0.01 -3.76 -0.02 0.00 -0.40 0.00 0.00 41.96 37.77 2hi6 s TYR 23 CO -0.11 -0.97 0.34 0.96 -1.57 0.00 0.00 175.55 174.20 2hi6 s ILE 24 N -0.00 2.48 -0.24 2.71 -4.36 -1.05 -4.83 121.20 115.91 2hi6 s ILE 24 Ca 0.19 -1.43 -0.14 0.00 -0.26 0.00 0.00 60.65 59.01 2hi6 s ILE 24 Cb -0.11 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.65 2hi6 s ILE 24 CO -0.08 0.00 0.33 -0.44 0.24 0.00 0.00 174.94 174.99 2hi6 s SER 25 N -4.10 6.28 0.00 4.36 0.01 -1.26 -1.27 113.70 117.72 2hi6 s SER 25 Ca 0.45 0.32 0.29 0.00 1.31 0.00 0.00 55.95 58.32 2hi6 s SER 25 Cb -0.01 -2.19 1.48 0.00 0.21 0.00 0.00 66.02 65.50 2hi6 s SER 25 CO 0.26 -0.09 2.00 0.33 0.41 0.00 0.00 173.24 176.15 2hi6 n PHE 26 N 4.78 0.00 0.41 2.43 7.35 0.12 -2.96 117.46 129.60 2hi6 n PHE 26 Ca -0.10 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.72 2hi6 n PHE 26 Cb 0.51 -0.25 0.49 0.00 0.35 0.00 0.00 39.48 40.59 2hi6 n PHE 26 CO 0.00 0.00 0.00 1.37 -0.76 0.00 0.00 176.76 177.37 2hi6 h LEU 27 N 0.00 0.00 -5.12 -2.13 8.10 -1.88 -3.30 115.31 110.98 2hi6 h LEU 27 Ca 0.00 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 57.74 2hi6 h LEU 27 Cb 0.23 0.00 -0.28 0.00 -0.44 0.00 0.00 40.66 40.17 2hi6 h LEU 27 CO 0.00 0.00 -0.75 0.61 -4.11 0.00 0.00 178.44 174.19 2hi6 n GLY 28 N 0.37 1.70 0.00 0.17 0.00 -1.15 -4.98 105.19 101.29 2hi6 n GLY 28 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2hi6 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hi6 n GLY 29 N -0.73 0.74 3.81 -0.02 0.00 -1.21 -1.89 105.19 105.89 2hi6 n GLY 29 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2hi6 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hi6 s ILE 30 N -0.13 5.02 0.34 -0.61 1.09 -1.26 0.83 121.20 126.47 2hi6 s ILE 30 Ca 0.00 0.92 -0.29 0.00 -1.10 0.00 0.00 60.65 60.18 2hi6 s ILE 30 Cb 0.00 -3.76 -0.11 0.00 -1.06 0.00 0.00 42.46 37.53 2hi6 s ILE 30 CO 0.00 0.52 1.47 -0.62 -0.10 0.00 0.00 174.94 176.21 2hi6 s ASP 31 N -0.71 6.45 0.00 3.58 -1.08 0.52 -4.84 116.67 120.59 2hi6 s ASP 31 Ca 0.25 2.94 0.21 0.00 -0.52 0.00 0.00 52.55 55.43 2hi6 s ASP 31 Cb -0.17 -2.66 0.97 0.00 -1.46 0.00 0.00 42.92 39.60 2hi6 s ASP 31 CO 0.13 -0.81 1.69 2.29 0.52 0.00 0.00 175.17 178.99 2hi6 n LYS 32 N 0.98 0.10 0.00 4.34 2.85 -1.26 -2.44 118.16 122.73 2hi6 n LYS 32 Ca 0.03 0.12 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 2hi6 n LYS 32 Cb 0.39 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 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 -1.43 0.00 0.02 -1.58 1.02 -1.26 -4.29 120.64 113.11 2hi6 n GLU 33 Ca 0.07 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.32 2hi6 n GLU 33 Cb 0.22 -0.60 -0.08 0.00 -0.02 0.00 0.00 31.44 30.96 2hi6 n GLU 33 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2hi6 n THR 34 N -2.45 0.13 -1.04 2.62 -2.24 -1.26 -4.87 114.28 105.18 2hi6 n THR 34 Ca 0.00 -0.36 -0.01 0.00 -2.27 0.00 0.00 64.05 61.41 2hi6 n THR 34 Cb 0.32 0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 2hi6 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hi6 n GLY 35 N 1.32 0.51 3.75 3.38 0.00 -1.02 -4.93 105.19 108.20 2hi6 n GLY 35 Ca -0.01 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.02 5.04 0.06 -0.61 -1.09 -1.26 -2.33 121.20 118.98 2hi6 s ILE 36 Ca 0.00 1.09 -0.30 0.00 -2.23 0.00 0.00 60.65 59.21 2hi6 s ILE 36 Cb 0.00 -3.86 -0.09 0.00 -1.58 0.00 0.00 42.46 36.93 2hi6 s ILE 36 CO 0.00 0.40 1.77 -0.69 -1.23 0.00 0.00 174.94 175.19 2hi6 s VAL 37 N 0.05 2.99 -0.16 2.92 1.01 -0.92 -0.35 120.40 125.93 2hi6 s VAL 37 Ca 0.28 0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.37 2hi6 s VAL 37 Cb -0.17 -3.19 -0.23 0.00 0.00 0.00 0.00 36.38 32.79 2hi6 s VAL 37 CO 0.14 -0.01 0.42 0.11 0.00 0.00 0.00 175.10 175.76 2hi6 h LYS 38 N 9.11 0.10 -6.77 2.72 1.79 0.27 -3.26 116.57 120.53 2hi6 h LYS 38 Ca -0.45 -0.17 -0.53 0.00 -2.18 0.00 0.00 60.65 57.33 2hi6 h LYS 38 Cb 1.21 0.06 0.07 0.00 -1.58 0.00 0.00 32.23 32.00 2hi6 h LYS 38 CO 0.94 1.08 0.85 -2.00 -1.08 0.00 0.00 179.45 179.25 2hi6 s GLU 39 N -2.39 4.17 0.39 3.15 2.56 -0.79 -4.98 118.70 120.80 2hi6 s GLU 39 Ca -0.24 2.49 -0.00 0.00 0.00 0.00 0.00 54.97 57.22 2hi6 s GLU 39 Cb 0.04 -3.05 -0.03 0.00 2.00 0.00 0.00 34.13 33.09 2hi6 s GLU 39 CO 0.68 -0.57 0.61 0.34 -0.56 0.00 0.00 175.26 175.75 2hi6 s ASP 40 N 0.50 6.20 0.00 -1.70 2.15 -1.26 -4.61 116.67 117.95 2hi6 s ASP 40 Ca 0.63 0.49 0.00 0.00 0.43 0.00 0.00 52.55 54.10 2hi6 s ASP 40 Cb -0.46 -1.97 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2hi6 s ASP 40 CO 0.45 -0.42 0.00 0.00 -0.17 0.00 0.00 175.17 175.04 2hi6 n GLU 42 N -1.98 0.00 -0.02 0.00 2.13 -1.26 -4.96 120.64 114.55 2hi6 n GLU 42 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2hi6 n GLU 42 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 2hi6 n GLU 42 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2hi6 n ILE 43 N 0.00 0.06 -2.01 6.31 -6.64 -1.26 -4.85 119.36 110.97 2hi6 n ILE 43 Ca 0.00 -0.04 -0.42 0.00 -1.77 0.00 0.00 62.75 60.52 2hi6 n ILE 43 Cb 0.00 -0.15 -0.03 0.00 -1.44 0.00 0.00 39.64 38.02 2hi6 n ILE 43 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 2hi6 s LYS 44 N -1.67 4.24 0.00 6.28 2.36 -1.26 -2.32 119.74 127.37 2hi6 s LYS 44 Ca 0.02 2.26 0.00 0.00 -2.55 0.00 0.00 55.97 55.70 2hi6 s LYS 44 Cb 0.01 -3.29 0.00 0.00 -1.05 0.00 0.00 37.83 33.50 2hi6 s LYS 44 CO 0.01 -0.59 0.00 0.41 1.55 0.00 0.00 175.35 176.73 2hi6 n GLY 45 N 3.74 2.14 3.89 5.54 0.00 -1.23 -5.03 105.19 114.25 2hi6 n GLY 45 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.13 3.67 -0.02 1.61 2.02 -0.98 -4.83 118.70 120.04 2hi6 s GLU 46 Ca 0.00 0.27 -0.02 0.00 0.02 0.00 0.00 54.97 55.24 2hi6 s GLU 46 Cb 0.00 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 2hi6 s GLU 46 CO 0.00 -0.03 0.11 -1.54 0.02 0.00 0.00 175.26 173.82 2hi6 s SER 47 N -3.47 5.89 0.00 -0.19 1.04 -1.26 -2.17 113.70 113.54 2hi6 s SER 47 Ca 0.48 0.23 0.00 0.00 0.48 0.00 0.00 55.95 57.14 2hi6 s SER 47 Cb -0.10 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.26 2hi6 s SER 47 CO 0.35 0.29 0.19 1.33 0.98 0.00 0.00 173.24 176.38 2hi6 n VAL 48 N 1.25 0.00 -3.27 5.02 0.24 -0.99 -4.96 118.33 115.63 2hi6 n VAL 48 Ca -0.13 0.45 -0.26 0.00 -2.04 0.00 0.00 64.34 62.36 2hi6 n VAL 48 Cb 0.53 -0.98 0.03 0.00 -1.47 0.00 0.00 33.84 31.95 2hi6 n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hi6 n ALA 49 N -1.02 -2.51 -0.80 2.33 0.00 -1.08 -3.03 120.51 114.41 2hi6 n ALA 49 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2hi6 n ALA 49 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.01 2hi6 n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hi6 n GLY 50 N -0.03 0.79 3.95 0.00 0.00 -0.11 -4.95 105.19 104.84 2hi6 n GLY 50 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.20 3.28 -0.25 1.61 0.52 -1.17 -4.24 118.95 118.50 2hi6 s ARG 51 Ca 0.00 -0.47 -0.08 0.00 -0.52 0.00 0.00 55.73 54.66 2hi6 s ARG 51 Cb 0.00 -2.64 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 2hi6 s ARG 51 CO 0.00 -0.02 0.09 0.42 0.02 0.00 0.00 175.30 175.81 2hi6 s ILE 52 N -2.39 4.50 -0.17 1.52 1.09 0.49 -0.63 121.20 125.61 2hi6 s ILE 52 Ca 0.44 -0.11 -0.10 0.00 -1.10 0.00 0.00 60.65 59.78 2hi6 s ILE 52 Cb -0.10 -3.11 -0.05 0.00 -1.06 0.00 0.00 42.46 38.14 2hi6 s ILE 52 CO 0.36 0.33 0.17 -0.22 -0.10 0.00 0.00 174.94 175.48 2hi6 s LEU 53 N 1.62 4.27 -0.25 2.97 2.96 -0.46 0.10 118.68 129.89 2hi6 s LEU 53 Ca 0.06 0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 54.34 2hi6 s LEU 53 Cb -0.15 -2.15 0.07 0.00 0.50 0.00 0.00 46.19 44.45 2hi6 s LEU 53 CO 0.05 0.23 0.00 -0.69 -1.32 0.00 0.00 176.35 174.62 2hi6 s VAL 54 N -0.02 1.24 0.02 1.68 1.01 0.31 -0.59 120.40 124.05 2hi6 s VAL 54 Ca 0.12 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.92 2hi6 s VAL 54 Cb -0.12 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2hi6 s VAL 54 CO 0.01 -0.28 -0.07 0.72 0.00 0.00 0.00 175.10 175.49 2hi6 s PHE 55 N 1.50 0.59 0.11 5.22 -0.71 -1.03 -0.84 117.98 122.81 2hi6 s PHE 55 Ca -0.00 -0.28 -0.28 0.00 -1.04 0.00 0.00 56.93 55.33 2hi6 s PHE 55 Cb -0.18 -0.36 -0.09 0.00 -1.21 0.00 0.00 43.02 41.17 2hi6 s PHE 55 CO -0.10 -0.04 1.63 -1.00 -1.34 0.00 0.00 175.22 174.36 2hi6 h PRO 56 N 5.31 -0.52 0.00 1.99 0.13 -1.77 -3.31 132.00 133.83 2hi6 h PRO 56 Ca -0.32 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2hi6 h PRO 56 Cb 1.20 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2hi6 h PRO 56 CO 0.46 -0.35 0.00 0.41 -0.23 0.00 0.00 178.00 178.29 2hi6 n GLY 57 N -1.41 -0.65 0.00 1.56 0.00 -1.26 -1.50 105.19 101.93 2hi6 n GLY 57 Ca -0.07 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2hi6 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hi6 n GLY 58 N 0.00 -1.22 2.87 -0.02 0.00 -1.24 -2.53 105.19 103.05 2hi6 n GLY 58 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 2hi6 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hi6 s LYS 59 N 0.00 1.17 -1.22 1.61 3.01 -0.40 -4.93 119.74 118.98 2hi6 s LYS 59 Ca 0.00 -1.60 -0.09 0.00 -1.01 0.00 0.00 55.97 53.27 2hi6 s LYS 59 Cb 0.00 -2.62 0.20 0.00 -1.01 0.00 0.00 37.83 34.40 2hi6 s LYS 59 CO 0.00 -0.99 1.70 0.41 0.51 0.00 0.00 175.35 176.97 2hi6 n GLY 60 N 4.36 4.59 2.61 -3.33 0.00 -1.26 0.15 105.19 112.32 2hi6 n GLY 60 Ca 0.02 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 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 3.61 5.40 -0.98 1.61 2.88 -1.26 -4.59 113.62 120.28 2hi6 n SER 61 Ca 0.36 -2.78 -0.10 0.00 -1.33 0.00 0.00 58.87 55.02 2hi6 n SER 61 Cb 0.37 -1.62 -0.04 0.00 -0.75 0.00 0.00 64.21 62.17 2hi6 n SER 61 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2hi6 n THR 62 N 4.53 0.00 0.02 2.46 -2.24 -1.26 -4.78 114.28 113.02 2hi6 n THR 62 Ca 0.59 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 62.24 2hi6 n THR 62 Cb 0.34 -1.17 -0.14 0.00 -2.10 0.00 0.00 70.33 67.26 2hi6 n THR 62 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2hi6 h VAL 63 N 0.00 0.99 0.00 2.28 2.07 -1.88 -3.34 116.25 116.36 2hi6 h VAL 63 Ca -0.21 -2.74 0.00 0.00 0.82 0.00 0.00 66.70 64.58 2hi6 h VAL 63 Cb 0.87 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 2hi6 h VAL 63 CO 0.30 0.71 0.00 0.61 0.02 0.00 0.00 177.57 179.22 2hi6 n GLY 64 N 1.65 1.96 0.09 2.17 0.00 -1.26 -3.51 105.19 106.29 2hi6 n GLY 64 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 0.56 0.79 0.00 1.61 3.41 -1.26 -3.31 113.62 115.43 2hi6 n SER 65 Ca 0.00 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2hi6 n SER 65 Cb 0.48 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 2hi6 n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hi6 n TYR 66 N -2.88 0.00 0.02 7.33 4.11 -1.24 -3.70 117.16 120.79 2hi6 n TYR 66 Ca -0.12 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 57.87 2hi6 n TYR 66 Cb 0.87 0.00 0.51 0.00 -0.00 0.00 0.00 39.34 40.72 2hi6 n TYR 66 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 2hi6 h VAL 67 N 0.00 0.99 0.00 -3.48 2.07 -1.86 -0.95 116.25 113.02 2hi6 h VAL 67 Ca 0.00 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2hi6 h VAL 67 Cb 0.00 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2hi6 h VAL 67 CO 0.00 0.07 -0.08 -0.07 0.02 0.00 0.00 177.57 177.51 2hi6 h LEU 68 N 0.36 0.00 -0.35 2.57 4.07 -1.86 -1.38 115.31 118.72 2hi6 h LEU 68 Ca 0.17 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.96 2hi6 h LEU 68 Cb 0.23 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 2hi6 h LEU 68 CO -0.04 0.08 -0.48 0.25 -1.08 0.00 0.00 178.44 177.17 2hi6 h LEU 69 N 0.00 0.98 -1.23 1.67 5.85 -1.40 -2.96 115.31 118.22 2hi6 h LEU 69 Ca -0.00 -0.49 -0.07 0.00 0.84 0.00 0.00 57.88 58.16 2hi6 h LEU 69 Cb 0.15 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2hi6 h LEU 69 CO 0.01 1.29 -0.22 -1.13 -0.34 0.00 0.00 178.44 178.05 2hi6 h ASN 70 N 0.71 0.25 -0.97 1.25 -1.24 -1.30 -1.55 115.58 112.72 2hi6 h ASN 70 Ca 0.03 -0.07 0.06 0.00 0.71 0.00 0.00 56.30 57.03 2hi6 h ASN 70 Cb 1.08 -0.07 -0.06 0.00 0.73 0.00 0.00 38.32 40.00 2hi6 h ASN 70 CO 0.11 0.48 0.63 -0.07 -1.29 0.00 0.00 177.43 177.30 2hi6 h LEU 71 N 0.24 1.01 -0.66 0.34 3.38 -1.23 -1.86 115.31 116.53 2hi6 h LEU 71 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2hi6 h LEU 71 Cb 0.52 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2hi6 h LEU 71 CO 0.04 0.66 -0.58 -0.09 0.09 0.00 0.00 178.44 178.56 2hi6 h ARG 72 N 1.15 0.30 -0.33 1.13 2.43 -1.18 -0.18 114.38 117.70 2hi6 h ARG 72 Ca 0.41 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2hi6 h ARG 72 Cb 0.14 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2hi6 h ARG 72 CO -0.15 0.79 0.08 0.87 -1.51 0.00 0.00 179.97 180.05 2hi6 h LYS 73 N 0.22 0.47 0.00 0.20 1.79 -0.87 -1.46 116.57 116.92 2hi6 h LYS 73 Ca -0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2hi6 h LYS 73 Cb 1.08 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 2hi6 h LYS 73 CO 0.09 0.44 -0.57 0.09 -1.08 0.00 0.00 179.45 178.41 2hi6 n ASN 74 N -4.36 0.67 -0.02 0.86 3.02 -0.82 -4.94 115.26 109.67 2hi6 n ASN 74 Ca 0.02 0.11 -0.00 0.00 -0.03 0.00 0.00 54.58 54.68 2hi6 n ASN 74 Cb 0.17 0.11 -0.00 0.00 -0.61 0.00 0.00 39.78 39.46 2hi6 n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hi6 n GLY 75 N 1.35 0.47 0.88 7.41 0.00 -0.21 -4.89 105.19 110.20 2hi6 n GLY 75 Ca 0.04 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.97 0.87 -2.27 1.61 0.24 -0.46 -4.71 118.33 110.64 2hi6 n VAL 76 Ca -0.00 -0.93 -0.35 0.00 -2.04 0.00 0.00 64.34 61.02 2hi6 n VAL 76 Cb 0.02 0.61 -0.00 0.00 -1.47 0.00 0.00 33.84 33.00 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 -1.04 2.71 0.47 2.33 0.00 -1.00 -2.63 121.76 122.60 2hi6 s ALA 77 Ca 0.31 0.76 -0.22 0.00 0.00 0.00 0.00 51.96 52.81 2hi6 s ALA 77 Cb 0.17 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.87 2hi6 s ALA 77 CO 0.22 -0.73 1.12 -2.14 0.00 0.00 0.00 175.76 174.23 2hi6 s PRO 78 N -3.35 3.74 0.19 0.00 0.02 -1.26 -0.93 135.00 133.42 2hi6 s PRO 78 Ca 0.71 1.63 -0.02 0.00 0.02 0.00 0.00 61.00 63.34 2hi6 s PRO 78 Cb -0.22 -2.29 0.12 0.00 0.02 0.00 0.00 34.50 32.12 2hi6 s PRO 78 CO 0.27 -0.53 1.49 0.87 -0.33 0.00 0.00 177.00 178.78 2hi6 h LYS 79 N 1.86 0.48 -2.58 5.54 1.57 -1.05 -3.45 116.57 118.95 2hi6 h LYS 79 Ca -0.49 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 57.89 2hi6 h LYS 79 Cb 1.24 0.05 -0.18 0.00 0.08 0.00 0.00 32.23 33.42 2hi6 h LYS 79 CO 0.60 0.94 0.01 0.00 -0.57 0.00 0.00 179.45 180.42 2hi6 s ALA 80 N -3.88 -1.33 -0.11 3.86 0.00 -1.24 -4.01 121.76 115.05 2hi6 s ALA 80 Ca -0.07 0.76 -0.00 0.00 0.00 0.00 0.00 51.96 52.66 2hi6 s ALA 80 Cb 0.11 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.43 2hi6 s ALA 80 CO 0.84 -0.40 -0.08 -1.50 0.00 0.00 0.00 175.76 174.62 2hi6 s ILE 81 N -1.75 1.03 -0.22 0.00 1.10 -1.16 -1.35 121.20 118.85 2hi6 s ILE 81 Ca -0.09 -0.30 -0.00 0.00 -0.51 0.00 0.00 60.65 59.75 2hi6 s ILE 81 Cb -0.01 -1.04 0.03 0.00 0.15 0.00 0.00 42.46 41.58 2hi6 s ILE 81 CO 0.04 0.37 -0.12 -0.63 -2.11 0.00 0.00 174.94 172.49 2hi6 s ILE 82 N 1.62 2.52 0.55 2.00 -1.09 0.24 -3.19 121.20 123.85 2hi6 s ILE 82 Ca 0.03 -1.03 0.05 0.00 -2.23 0.00 0.00 60.65 57.48 2hi6 s ILE 82 Cb -0.13 -2.22 0.05 0.00 -1.58 0.00 0.00 42.46 38.58 2hi6 s ILE 82 CO -0.07 0.32 0.44 0.59 -1.23 0.00 0.00 174.94 174.98 2hi6 n ASN 83 N 4.63 2.71 0.02 3.58 4.13 -0.90 -2.48 115.26 126.94 2hi6 n ASN 83 Ca -0.18 -2.86 -0.20 0.00 1.68 0.00 0.00 54.58 53.02 2hi6 n ASN 83 Cb 0.48 -0.07 -0.14 0.00 -1.54 0.00 0.00 39.78 38.51 2hi6 n ASN 83 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2hi6 h LYS 84 N 0.00 0.24 -2.68 3.52 3.64 -1.35 0.85 116.57 120.79 2hi6 h LYS 84 Ca -0.34 -0.41 -0.49 0.00 -1.27 0.00 0.00 60.65 58.14 2hi6 h LYS 84 Cb 1.27 0.15 -0.39 0.00 -0.41 0.00 0.00 32.23 32.85 2hi6 h LYS 84 CO 0.53 1.19 -0.75 0.21 -2.27 0.00 0.00 179.45 178.37 2hi6 s LYS 85 N -2.42 0.21 0.50 1.90 2.20 -1.25 -3.92 119.74 116.96 2hi6 s LYS 85 Ca -0.17 -0.44 -0.20 0.00 -0.36 0.00 0.00 55.97 54.81 2hi6 s LYS 85 Cb 0.02 -1.09 -0.08 0.00 -1.51 0.00 0.00 37.83 35.17 2hi6 s LYS 85 CO 0.78 -1.01 1.05 -0.08 -0.36 0.00 0.00 175.35 175.74 2hi6 s THR 86 N 2.15 3.71 0.15 3.43 -1.32 -1.26 -4.93 115.64 117.57 2hi6 s THR 86 Ca 0.09 1.04 -0.10 0.00 -1.21 0.00 0.00 61.69 61.51 2hi6 s THR 86 Cb -0.16 -3.42 -0.06 0.00 -1.51 0.00 0.00 72.50 67.35 2hi6 s THR 86 CO -0.35 -0.25 0.48 -0.70 -2.21 0.00 0.00 174.62 171.59 2hi6 s GLU 87 N -3.31 3.81 0.37 7.08 2.56 -1.26 -4.97 118.70 122.98 2hi6 s GLU 87 Ca 0.68 0.25 0.11 0.00 0.00 0.00 0.00 54.97 56.01 2hi6 s GLU 87 Cb -0.17 -2.84 0.90 0.00 2.00 0.00 0.00 34.13 34.01 2hi6 s GLU 87 CO 0.22 0.45 1.85 1.15 -0.56 0.00 0.00 175.26 178.36 2hi6 h THR 88 N 2.44 0.75 -0.39 -1.70 2.02 -1.99 -0.42 112.91 113.63 2hi6 h THR 88 Ca -0.48 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 66.54 2hi6 h THR 88 Cb 1.18 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 2hi6 h THR 88 CO 0.68 0.11 0.12 0.40 0.37 0.00 0.00 175.52 177.21 2hi6 h ILE 89 N 0.61 0.87 -0.42 3.11 2.04 -1.93 -1.67 117.51 120.11 2hi6 h ILE 89 Ca 0.48 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 66.12 2hi6 h ILE 89 Cb 0.91 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2hi6 h ILE 89 CO -0.23 0.05 -0.25 0.40 0.00 0.00 0.00 178.15 178.12 2hi6 h ILE 90 N 0.28 1.27 -0.72 -0.67 2.04 -1.19 -2.39 117.51 116.12 2hi6 h ILE 90 Ca 0.18 -1.40 0.01 0.00 1.00 0.00 0.00 64.86 64.65 2hi6 h ILE 90 Cb 0.17 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 2hi6 h ILE 90 CO -0.19 0.47 0.48 0.00 0.00 0.00 0.00 178.15 178.91 2hi6 h ALA 91 N 0.95 0.92 -0.43 1.87 0.00 -1.00 0.16 119.26 121.73 2hi6 h ALA 91 Ca 0.09 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2hi6 h ALA 91 Cb 0.80 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2hi6 h ALA 91 CO 0.07 0.33 0.00 0.28 0.00 0.00 0.00 179.25 179.93 2hi6 h VAL 92 N 0.97 1.26 -0.23 0.00 2.07 -1.15 -1.40 116.25 117.76 2hi6 h VAL 92 Ca 0.27 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 2hi6 h VAL 92 Cb -0.11 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2hi6 h VAL 92 CO -0.06 0.35 -0.08 1.23 0.02 0.00 0.00 177.57 179.03 2hi6 h GLY 93 N 0.61 0.50 1.99 2.17 0.00 -1.02 -3.12 103.07 104.21 2hi6 h GLY 93 Ca 0.12 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 2hi6 h GLY 93 CO 0.02 0.40 -0.43 0.00 0.00 0.00 0.00 176.54 176.53 2hi6 h ALA 94 N 0.73 1.29 0.00 3.60 0.00 -0.70 -2.68 119.26 121.51 2hi6 h ALA 94 Ca 0.06 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2hi6 h ALA 94 Cb 0.56 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2hi6 h ALA 94 CO 0.03 0.54 -0.07 0.00 0.00 0.00 0.00 179.25 179.74 2hi6 h ALA 95 N 1.57 1.42 0.00 0.00 0.00 -1.18 -0.72 119.26 120.33 2hi6 h ALA 95 Ca -0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2hi6 h ALA 95 Cb 0.76 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2hi6 h ALA 95 CO 0.06 0.09 -0.90 0.52 0.00 0.00 0.00 179.25 179.02 2hi6 h MET 96 N 0.00 0.00 -0.09 0.00 2.86 -1.49 -3.29 114.93 112.92 2hi6 h MET 96 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2hi6 h MET 96 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2hi6 h MET 96 CO 0.01 0.54 0.00 0.00 1.06 0.00 0.00 176.91 178.52 2hi6 n ALA 97 N -2.31 2.49 -3.51 6.32 0.00 -0.64 -4.96 120.51 117.91 2hi6 n ALA 97 Ca -0.02 -0.65 -0.19 0.00 0.00 0.00 0.00 53.44 52.57 2hi6 n ALA 97 Cb 0.82 -0.94 0.08 0.00 0.00 0.00 0.00 19.45 19.41 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 0.98 -6.63 -3.57 0.00 4.71 -0.49 -4.98 120.64 110.66 2hi6 n GLU 98 Ca 0.16 0.81 -0.40 0.00 -0.01 0.00 0.00 57.16 57.72 2hi6 n GLU 98 Cb 0.51 -5.77 -0.07 0.00 -1.01 0.00 0.00 31.44 25.11 2hi6 n GLU 98 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2hi6 s ILE 99 N -3.39 4.47 -0.14 -3.67 1.01 -0.40 -4.99 121.20 114.09 2hi6 s ILE 99 Ca 0.13 -2.87 -0.33 0.00 0.00 0.00 0.00 60.65 57.58 2hi6 s ILE 99 Cb -0.06 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.48 2hi6 s ILE 99 CO 0.74 -0.95 2.00 -2.65 0.00 0.00 0.00 174.94 174.09 2hi6 n PRO 100 N 3.55 2.05 -5.07 2.79 -0.02 -1.26 -4.63 135.00 132.42 2hi6 n PRO 100 Ca 0.11 0.70 -0.29 0.00 -2.02 0.00 0.00 63.50 62.00 2hi6 n PRO 100 Cb 0.41 -2.77 -0.16 0.00 -0.02 0.00 0.00 33.50 30.96 2hi6 n PRO 100 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2hi6 s LEU 101 N 5.41 1.99 0.30 2.45 2.34 -1.26 -2.96 118.68 126.95 2hi6 s LEU 101 Ca 0.96 -0.44 0.03 0.00 0.06 0.00 0.00 54.13 54.74 2hi6 s LEU 101 Cb -0.62 -1.20 -0.06 0.00 -0.56 0.00 0.00 46.19 43.75 2hi6 s LEU 101 CO 0.47 0.19 0.07 0.68 -1.06 0.00 0.00 176.35 176.71 2hi6 s VAL 102 N -0.01 0.96 -0.08 1.48 -7.23 -1.19 -3.15 120.40 111.17 2hi6 s VAL 102 Ca -0.05 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.16 2hi6 s VAL 102 Cb -0.13 -2.73 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 2hi6 s VAL 102 CO 0.03 0.00 -0.23 -1.83 -0.31 0.00 0.00 175.10 172.76 2hi6 s GLU 103 N -3.94 2.85 -0.44 4.82 -1.05 0.46 -2.13 118.70 119.29 2hi6 s GLU 103 Ca 0.37 -0.87 -0.11 0.00 -0.15 0.00 0.00 54.97 54.20 2hi6 s GLU 103 Cb 0.08 -2.27 0.08 0.00 -0.44 0.00 0.00 34.13 31.58 2hi6 s GLU 103 CO 0.15 0.28 0.30 0.14 0.95 0.00 0.00 175.26 177.08 2hi6 s VAL 104 N 0.10 4.56 -0.39 1.83 -7.23 0.30 -2.04 120.40 117.53 2hi6 s VAL 104 Ca -0.11 -1.28 0.06 0.00 -1.81 0.00 0.00 61.98 58.84 2hi6 s VAL 104 Cb -0.16 -3.77 0.68 0.00 0.56 0.00 0.00 36.38 33.69 2hi6 s VAL 104 CO 0.06 -0.53 1.84 -1.14 -0.31 0.00 0.00 175.10 175.02 2hi6 n ARG 105 N 5.01 2.81 -4.96 4.82 0.63 -1.26 -4.09 116.66 119.63 2hi6 n ARG 105 Ca -0.11 -2.92 -0.28 0.00 -0.92 0.00 0.00 57.85 53.62 2hi6 n ARG 105 Cb 0.43 -2.16 -0.17 0.00 0.45 0.00 0.00 32.46 31.02 2hi6 n ARG 105 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2hi6 s ASP 106 N -1.09 2.50 0.38 6.15 -1.08 -1.26 -5.02 116.67 117.25 2hi6 s ASP 106 Ca 0.54 -0.43 0.18 0.00 -0.52 0.00 0.00 52.55 52.32 2hi6 s ASP 106 Cb 0.45 -0.99 0.71 0.00 -1.46 0.00 0.00 42.92 41.63 2hi6 s ASP 106 CO 0.12 0.13 1.76 -0.08 0.52 0.00 0.00 175.17 177.61 2hi6 h GLU 107 N 6.60 0.00 0.00 4.34 4.57 -2.02 -2.96 114.58 125.11 2hi6 h GLU 107 Ca -0.27 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.89 2hi6 h GLU 107 Cb 1.20 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2hi6 h GLU 107 CO 0.47 0.37 -0.11 0.87 -1.18 0.00 0.00 179.01 179.44 2hi6 h LYS 108 N 0.00 0.00 -0.10 1.92 1.79 -1.98 -2.02 116.57 116.18 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 0.85 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.50 2hi6 h LYS 108 CO 0.05 0.11 0.02 0.35 -1.08 0.00 0.00 179.45 178.90 2hi6 h PHE 109 N 0.00 0.17 0.00 -1.35 3.57 -1.94 -1.36 116.94 116.02 2hi6 h PHE 109 Ca -0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 2hi6 h PHE 109 Cb 0.35 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2hi6 h PHE 109 CO 0.00 0.35 -0.18 0.74 -2.23 0.00 0.00 178.31 176.99 2hi6 h PHE 110 N -0.07 0.00 0.00 0.41 0.04 -1.54 0.64 116.94 116.42 2hi6 h PHE 110 Ca 0.03 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.68 2hi6 h PHE 110 Cb 0.28 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 2hi6 h PHE 110 CO 0.01 0.18 -0.56 0.93 -0.60 0.00 0.00 178.31 178.27 2hi6 h GLU 111 N 0.00 0.00 0.07 1.51 5.08 -1.17 -3.35 114.58 116.72 2hi6 h GLU 111 Ca -0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.98 2hi6 h GLU 111 Cb 0.47 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2hi6 h GLU 111 CO 0.02 0.56 -2.19 0.00 -1.00 0.00 0.00 179.01 176.40 2hi6 n ALA 112 N -2.26 1.13 -2.39 3.43 0.00 -0.54 -4.94 120.51 114.95 2hi6 n ALA 112 Ca 0.01 -0.81 -0.39 0.00 0.00 0.00 0.00 53.44 52.26 2hi6 n ALA 112 Cb 0.74 -0.44 -0.06 0.00 0.00 0.00 0.00 19.45 19.68 2hi6 n ALA 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hi6 s VAL 113 N -2.54 4.85 0.07 0.00 0.11 0.14 -5.05 120.40 117.98 2hi6 s VAL 113 Ca -0.27 1.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.95 2hi6 s VAL 113 Cb 0.08 -3.88 -0.04 0.00 -1.53 0.00 0.00 36.38 31.01 2hi6 s VAL 113 CO 0.70 0.51 -0.06 -0.54 -3.33 0.00 0.00 175.10 172.38 2hi6 s LYS 114 N -0.74 0.68 -0.27 1.54 1.02 -1.26 -4.78 119.74 115.93 2hi6 s LYS 114 Ca 0.29 -1.16 -0.28 0.00 0.02 0.00 0.00 55.97 54.84 2hi6 s LYS 114 Cb -0.19 -0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.01 2hi6 s LYS 114 CO 0.17 -0.03 2.00 0.99 -0.92 0.00 0.00 175.35 177.56 2hi6 s THR 115 N -3.17 3.26 0.00 2.17 2.01 -1.25 -2.55 115.64 116.10 2hi6 s THR 115 Ca 0.05 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.31 2hi6 s THR 115 Cb 0.02 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.19 2hi6 s THR 115 CO -0.05 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.27 2hi6 n GLY 116 N 5.57 1.10 3.87 4.40 0.00 -0.44 -4.98 105.19 114.70 2hi6 n GLY 116 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 2hi6 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hi6 s ASP 117 N -0.39 6.44 -0.27 1.61 1.01 -1.06 -4.77 116.67 119.24 2hi6 s ASP 117 Ca 0.00 1.32 -0.20 0.00 0.71 0.00 0.00 52.55 54.38 2hi6 s ASP 117 Cb 0.00 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 2hi6 s ASP 117 CO 0.00 -0.61 0.62 -0.60 0.21 0.00 0.00 175.17 174.79 2hi6 s ARG 118 N -4.42 4.06 -0.04 8.23 3.00 -1.22 -0.25 118.95 128.31 2hi6 s ARG 118 Ca 0.54 0.48 0.06 0.00 -1.00 0.00 0.00 55.73 55.81 2hi6 s ARG 118 Cb -0.10 -3.67 -0.01 0.00 0.00 0.00 0.00 34.95 31.17 2hi6 s ARG 118 CO 0.39 -0.45 -0.24 0.54 0.00 0.00 0.00 175.30 175.55 2hi6 s VAL 119 N 2.52 1.91 -0.34 7.11 0.11 -0.06 -0.61 120.40 131.05 2hi6 s VAL 119 Ca 0.26 -1.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.24 2hi6 s VAL 119 Cb -0.15 -1.61 0.04 0.00 -1.53 0.00 0.00 36.38 33.12 2hi6 s VAL 119 CO 0.09 0.54 0.11 -0.69 -3.33 0.00 0.00 175.10 171.82 2hi6 s VAL 120 N -0.27 3.87 -0.53 2.04 1.01 0.17 -1.58 120.40 125.11 2hi6 s VAL 120 Ca 0.01 -1.06 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 2hi6 s VAL 120 Cb -0.12 -3.17 0.06 0.00 0.00 0.00 0.00 36.38 33.16 2hi6 s VAL 120 CO 0.02 -0.16 0.70 -0.69 0.00 0.00 0.00 175.10 174.97 2hi6 s VAL 121 N 1.43 4.77 -0.50 2.92 1.01 0.14 -2.30 120.40 127.86 2hi6 s VAL 121 Ca -0.01 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 2hi6 s VAL 121 Cb -0.19 -4.38 0.13 0.00 0.00 0.00 0.00 36.38 31.93 2hi6 s VAL 121 CO 0.03 -0.93 0.37 0.21 0.00 0.00 0.00 175.10 174.78 2hi6 s ASN 122 N 2.90 5.72 0.00 3.32 2.47 -0.77 -0.43 114.94 128.15 2hi6 s ASN 122 Ca 0.17 -2.03 0.27 0.00 0.42 0.00 0.00 52.86 51.69 2hi6 s ASN 122 Cb -0.19 -2.01 0.92 0.00 -1.45 0.00 0.00 41.25 38.53 2hi6 s ASN 122 CO 0.12 -0.66 1.70 0.00 -3.72 0.00 0.00 177.10 174.54 2hi6 n ALA 123 N 4.74 2.92 -0.24 1.71 0.00 0.66 -0.13 120.51 130.17 2hi6 n ALA 123 Ca -0.05 -0.24 -0.06 0.00 0.00 0.00 0.00 53.44 53.09 2hi6 n ALA 123 Cb 0.41 -1.30 0.08 0.00 0.00 0.00 0.00 19.45 18.64 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 0.12 1.03 0.00 0.00 3.58 -1.75 -3.27 116.42 116.13 2hi6 h ASP 124 Ca 0.00 -0.21 -0.33 0.00 0.42 0.00 0.00 57.03 56.91 2hi6 h ASP 124 Cb 0.48 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 41.20 2hi6 h ASP 124 CO 0.00 0.98 -2.24 1.21 -2.88 0.00 0.00 179.24 176.31 2hi6 n GLU 125 N -4.24 0.88 -0.13 0.28 4.07 -1.22 -5.02 120.64 115.26 2hi6 n GLU 125 Ca 0.05 0.05 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 2hi6 n GLU 125 Cb 0.25 -1.45 0.00 0.00 -0.06 0.00 0.00 31.44 30.18 2hi6 n GLU 125 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2hi6 n GLY 126 N 2.14 0.76 3.66 8.31 0.00 0.81 -5.00 105.19 115.87 2hi6 n GLY 126 Ca -0.34 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 2hi6 n GLY 126 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hi6 s TYR 127 N -2.08 -0.22 -0.08 1.61 -0.85 -0.54 -3.28 117.35 111.91 2hi6 s TYR 127 Ca 0.00 -0.03 -0.01 0.00 -0.52 0.00 0.00 57.07 56.52 2hi6 s TYR 127 Cb 0.00 0.61 0.03 0.00 0.38 0.00 0.00 41.96 42.97 2hi6 s TYR 127 CO 0.00 -0.76 -0.03 0.14 -1.52 0.00 0.00 175.55 173.38 2hi6 s VAL 128 N -3.29 0.62 -0.19 -3.49 -7.23 0.17 -1.84 120.40 105.15 2hi6 s VAL 128 Ca 0.09 -0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.22 2hi6 s VAL 128 Cb -0.01 -0.71 0.03 0.00 0.56 0.00 0.00 36.38 36.24 2hi6 s VAL 128 CO -0.02 0.29 -0.17 -0.70 -0.31 0.00 0.00 175.10 174.19 2hi6 s GLU 129 N 1.72 2.73 0.06 4.82 2.12 -0.97 -2.01 118.70 127.16 2hi6 s GLU 129 Ca 0.02 -0.90 0.04 0.00 0.36 0.00 0.00 54.97 54.49 2hi6 s GLU 129 Cb -0.13 -2.58 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 2hi6 s GLU 129 CO -0.05 -0.29 -0.02 -0.48 -0.54 0.00 0.00 175.26 173.87 2hi6 s LEU 130 N 1.28 3.37 -0.16 2.70 2.34 -1.26 -0.65 118.68 126.30 2hi6 s LEU 130 Ca 0.02 -0.16 -0.03 0.00 0.06 0.00 0.00 54.13 54.02 2hi6 s LEU 130 Cb -0.14 -2.05 -0.02 0.00 -0.56 0.00 0.00 46.19 43.41 2hi6 s LEU 130 CO -0.11 0.22 -0.05 -0.63 -1.06 0.00 0.00 176.35 174.72 2hi6 s ILE 131 N -1.20 3.73 -2.00 1.48 -1.09 0.22 -4.83 121.20 117.50 2hi6 s ILE 131 Ca 0.22 -0.41 0.18 0.00 -2.23 0.00 0.00 60.65 58.41 2hi6 s ILE 131 Cb -0.11 -2.63 0.50 0.00 -1.58 0.00 0.00 42.46 38.63 2hi6 s ILE 131 CO 0.14 0.49 1.45 -0.62 -1.23 0.00 0.00 174.94 175.17