#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 2.77 0.11 7.34 1.02 -1.26 -3.95 119.74 125.77 2hi6 s LYS 2 Ca 0.00 -0.75 -0.03 0.00 0.02 0.00 0.00 55.97 55.21 2hi6 s LYS 2 Cb 0.00 -2.38 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 2hi6 s LYS 2 CO 0.00 -0.17 0.32 -0.06 -0.92 0.00 0.00 175.35 174.52 2hi6 s PHE 3 N 1.22 3.49 -0.20 3.18 0.08 -0.14 -4.94 117.98 120.67 2hi6 s PHE 3 Ca 0.02 0.44 -0.03 0.00 0.12 0.00 0.00 56.93 57.48 2hi6 s PHE 3 Cb -0.14 -1.91 -0.01 0.00 -0.57 0.00 0.00 43.02 40.39 2hi6 s PHE 3 CO -0.09 0.49 -0.07 0.00 -0.10 0.00 0.00 175.22 175.45 2hi6 s ALA 4 N -1.61 2.75 0.42 5.36 0.00 -1.26 -0.11 121.76 127.32 2hi6 s ALA 4 Ca 0.39 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 51.30 2hi6 s ALA 4 Cb -0.12 -1.58 -0.07 0.00 0.00 0.00 0.00 23.12 21.35 2hi6 s ALA 4 CO 0.26 -0.28 0.01 0.00 0.00 0.00 0.00 175.76 175.75 2hi6 s ARG 6 N -3.74 3.70 -0.41 0.00 6.06 0.36 -4.54 118.95 120.37 2hi6 s ARG 6 Ca 0.31 -0.08 -0.29 0.00 -2.50 0.00 0.00 55.73 53.17 2hi6 s ARG 6 Cb 0.09 -3.78 0.01 0.00 0.06 0.00 0.00 34.95 31.33 2hi6 s ARG 6 CO 0.16 -0.59 1.41 0.00 -2.50 0.00 0.00 175.30 173.78 2hi6 s ALA 7 N 2.38 3.06 -0.15 6.12 0.00 -1.26 -0.53 121.76 131.38 2hi6 s ALA 7 Ca 0.19 -0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.87 2hi6 s ALA 7 Cb -0.15 -3.94 -0.11 0.00 0.00 0.00 0.00 23.12 18.92 2hi6 s ALA 7 CO 0.13 -2.37 0.18 0.82 0.00 0.00 0.00 175.76 174.51 2hi6 h ILE 8 N 6.45 0.62 -1.08 0.00 1.08 -1.85 -3.48 117.51 119.25 2hi6 h ILE 8 Ca -0.28 -1.59 -0.46 0.00 -0.39 0.00 0.00 64.86 62.15 2hi6 h ILE 8 Cb 1.11 1.30 0.02 0.00 -3.07 0.00 0.00 36.82 36.18 2hi6 h ILE 8 CO 1.08 0.21 -0.17 -0.89 -0.69 0.00 0.00 178.15 177.69 2hi6 s THR 9 N -2.08 2.52 0.47 -0.27 2.01 -1.06 -5.02 115.64 112.20 2hi6 s THR 9 Ca -0.15 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 60.88 2hi6 s THR 9 Cb 0.01 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 2hi6 s THR 9 CO 0.36 0.00 0.02 -0.13 -0.69 0.00 0.00 174.62 174.18 2hi6 s ARG 10 N -4.52 2.10 0.00 4.92 0.52 -1.26 -4.58 118.95 116.14 2hi6 s ARG 10 Ca 0.58 -2.26 0.00 0.00 -0.52 0.00 0.00 55.73 53.54 2hi6 s ARG 10 Cb -0.08 -1.60 0.00 0.00 0.52 0.00 0.00 34.95 33.79 2hi6 s ARG 10 CO 0.36 -0.23 0.00 0.41 0.02 0.00 0.00 175.30 175.86 2hi6 n GLY 11 N -1.15 3.64 3.26 -3.53 0.00 -1.26 -4.26 105.19 101.88 2hi6 n GLY 11 Ca -0.12 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 2hi6 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hi6 s ARG 12 N -4.52 2.95 -0.10 1.61 0.52 -1.26 -0.66 118.95 117.48 2hi6 s ARG 12 Ca 0.00 -0.86 -0.19 0.00 -0.52 0.00 0.00 55.73 54.16 2hi6 s ARG 12 Cb 0.00 -2.30 0.04 0.00 0.52 0.00 0.00 34.95 33.21 2hi6 s ARG 12 CO 0.00 0.25 0.47 0.00 0.02 0.00 0.00 175.30 176.04 2hi6 s ALA 13 N 0.18 -1.18 -0.00 2.13 0.00 -0.33 -5.02 121.76 117.53 2hi6 s ALA 13 Ca -0.13 1.02 0.07 0.00 0.00 0.00 0.00 51.96 52.92 2hi6 s ALA 13 Cb -0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2hi6 s ALA 13 CO 0.07 -0.27 -0.21 -1.83 0.00 0.00 0.00 175.76 173.52 2hi6 s GLU 14 N -0.55 1.64 0.12 0.00 -1.05 -1.26 -0.69 118.70 116.90 2hi6 s GLU 14 Ca -0.07 -0.78 -0.25 0.00 -0.15 0.00 0.00 54.97 53.72 2hi6 s GLU 14 Cb -0.03 -1.61 0.08 0.00 -0.44 0.00 0.00 34.13 32.13 2hi6 s GLU 14 CO 0.04 0.44 1.10 0.20 0.95 0.00 0.00 175.26 177.98 2hi6 s GLY 15 N -0.62 -0.07 0.10 -3.83 0.00 -1.15 -5.04 107.32 96.72 2hi6 s GLY 15 Ca 0.08 -0.03 -0.31 0.00 0.00 0.00 0.00 44.72 44.46 2hi6 s GLY 15 CO -0.00 2.05 1.50 1.85 0.00 0.00 0.00 173.10 178.50 2hi6 s GLU 16 N -2.42 4.26 -0.11 2.90 2.12 -1.26 -2.75 118.70 121.44 2hi6 s GLU 16 Ca 0.20 2.19 -0.29 0.00 0.36 0.00 0.00 54.97 57.43 2hi6 s GLU 16 Cb -0.01 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 2hi6 s GLU 16 CO 0.02 -0.57 0.97 0.00 -0.54 0.00 0.00 175.26 175.14 2hi6 s ALA 17 N 1.66 3.42 -0.36 6.30 0.00 0.12 -0.47 121.76 132.42 2hi6 s ALA 17 Ca 0.68 0.31 -0.07 0.00 0.00 0.00 0.00 51.96 52.88 2hi6 s ALA 17 Cb -0.39 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.39 2hi6 s ALA 17 CO 0.30 -0.60 0.14 -1.17 0.00 0.00 0.00 175.76 174.44 2hi6 s LEU 18 N 2.00 4.52 -0.19 0.00 0.20 0.13 -1.23 118.68 124.11 2hi6 s LEU 18 Ca 0.46 -1.19 -0.08 0.00 0.69 0.00 0.00 54.13 54.02 2hi6 s LEU 18 Cb -0.18 -1.91 -0.04 0.00 -0.43 0.00 0.00 46.19 43.63 2hi6 s LEU 18 CO 0.17 -0.37 0.08 -0.69 -0.29 0.00 0.00 176.35 175.25 2hi6 s VAL 19 N 1.42 4.87 -0.25 1.68 1.01 -1.26 -0.52 120.40 127.35 2hi6 s VAL 19 Ca -0.00 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.99 2hi6 s VAL 19 Cb -0.20 -3.21 0.07 0.00 0.00 0.00 0.00 36.38 33.03 2hi6 s VAL 19 CO 0.03 0.44 -0.05 -0.89 0.00 0.00 0.00 175.10 174.63 2hi6 s THR 20 N 0.52 1.74 -1.11 3.92 2.01 0.45 -4.56 115.64 118.60 2hi6 s THR 20 Ca 0.04 -1.44 0.08 0.00 0.31 0.00 0.00 61.69 60.68 2hi6 s THR 20 Cb -0.13 -2.00 0.37 0.00 0.01 0.00 0.00 72.50 70.76 2hi6 s THR 20 CO 0.01 -0.15 1.16 0.29 -0.69 0.00 0.00 174.62 175.23 2hi6 n LYS 21 N 4.58 2.52 -2.32 4.92 5.02 -1.26 -4.01 118.16 127.60 2hi6 n LYS 21 Ca -0.11 -1.44 -0.29 0.00 -2.02 0.00 0.00 58.31 54.45 2hi6 n LYS 21 Cb 0.43 -1.67 -0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2hi6 n LYS 21 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2hi6 s GLU 22 N -1.74 3.60 -0.69 1.97 2.56 -1.26 -4.98 118.70 118.17 2hi6 s GLU 22 Ca 0.25 0.48 0.05 0.00 0.00 0.00 0.00 54.97 55.75 2hi6 s GLU 22 Cb 0.17 -2.24 0.17 0.00 2.00 0.00 0.00 34.13 34.23 2hi6 s GLU 22 CO 0.11 -0.35 0.47 0.71 -0.56 0.00 0.00 175.26 175.64 2hi6 s TYR 23 N -2.89 3.54 0.39 5.30 1.51 -1.26 -4.64 117.35 119.30 2hi6 s TYR 23 Ca 0.51 -3.31 0.08 0.00 -1.01 0.00 0.00 57.07 53.34 2hi6 s TYR 23 Cb -0.11 -2.74 -0.03 0.00 -0.11 0.00 0.00 41.96 38.97 2hi6 s TYR 23 CO 0.47 -0.58 0.33 0.96 -1.11 0.00 0.00 175.55 175.62 2hi6 s ILE 24 N -1.31 2.85 -0.21 2.71 -4.36 -1.26 -4.60 121.20 115.03 2hi6 s ILE 24 Ca 0.24 -1.40 -0.19 0.00 -0.26 0.00 0.00 60.65 59.03 2hi6 s ILE 24 Cb -0.07 -3.04 -0.03 0.00 1.25 0.00 0.00 42.46 40.57 2hi6 s ILE 24 CO -0.14 -0.05 0.57 -0.44 0.24 0.00 0.00 174.94 175.12 2hi6 s SER 25 N -4.06 6.60 0.00 4.36 0.01 -1.26 -1.78 113.70 117.57 2hi6 s SER 25 Ca 0.45 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.44 2hi6 s SER 25 Cb -0.03 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2hi6 s SER 25 CO 0.27 -0.24 0.98 0.33 0.41 0.00 0.00 173.24 174.98 2hi6 n PHE 26 N 5.04 0.00 0.00 2.43 7.35 -1.26 -4.71 117.46 126.30 2hi6 n PHE 26 Ca -0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 2hi6 n PHE 26 Cb 0.50 -0.48 0.00 0.00 0.35 0.00 0.00 39.48 39.85 2hi6 n PHE 26 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2hi6 n LEU 27 N -2.11 0.00 0.00 -2.13 4.77 -1.26 -3.20 117.00 113.07 2hi6 n LEU 27 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2hi6 n LEU 27 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2hi6 n LEU 27 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2hi6 n GLY 28 N 0.00 0.00 0.00 -0.72 0.00 -1.26 -4.87 105.19 98.34 2hi6 n GLY 28 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -1.20 3.66 -0.02 0.00 -1.19 -4.65 105.19 101.78 2hi6 n GLY 29 Ca 0.00 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.79 4.64 0.09 -0.61 1.09 -1.26 0.25 121.20 122.61 2hi6 s ILE 30 Ca 0.17 1.97 -0.31 0.00 -1.10 0.00 0.00 60.65 61.38 2hi6 s ILE 30 Cb 0.16 -4.31 -0.08 0.00 -1.06 0.00 0.00 42.46 37.16 2hi6 s ILE 30 CO 0.40 -0.22 1.50 -0.62 -0.10 0.00 0.00 174.94 175.90 2hi6 s ASP 31 N 1.29 6.71 0.01 3.58 2.15 -0.18 -4.89 116.67 125.35 2hi6 s ASP 31 Ca 0.45 2.40 0.21 0.00 0.43 0.00 0.00 52.55 56.04 2hi6 s ASP 31 Cb -0.15 -2.58 0.91 0.00 -0.30 0.00 0.00 42.92 40.80 2hi6 s ASP 31 CO 0.08 -0.77 1.68 2.29 -0.17 0.00 0.00 175.17 178.28 2hi6 n LYS 32 N 4.65 0.01 -0.09 4.34 0.00 -1.26 0.18 118.16 125.99 2hi6 n LYS 32 Ca 0.13 0.14 -0.15 0.00 -0.00 0.00 0.00 58.31 58.44 2hi6 n LYS 32 Cb 0.41 -1.51 -0.14 0.00 -0.00 0.00 0.00 35.03 33.79 2hi6 n LYS 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2hi6 n GLU 33 N -1.53 0.68 -0.09 -1.58 1.02 -1.26 -4.65 120.64 113.22 2hi6 n GLU 33 Ca 0.05 0.13 -0.11 0.00 -0.02 0.00 0.00 57.16 57.21 2hi6 n GLU 33 Cb 0.25 -1.57 -0.10 0.00 -0.02 0.00 0.00 31.44 30.00 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 -3.11 1.05 -0.55 2.62 -2.24 -1.19 -5.01 114.28 105.84 2hi6 n THR 34 Ca -0.37 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 2hi6 n THR 34 Cb 1.06 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 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 2.42 0.69 3.83 3.38 0.00 0.13 -4.92 105.19 110.72 2hi6 n GLY 35 Ca -0.30 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.00 5.20 -0.22 -0.61 -1.09 -1.25 -1.75 121.20 119.47 2hi6 s ILE 36 Ca 0.00 0.63 -0.29 0.00 -2.23 0.00 0.00 60.65 58.76 2hi6 s ILE 36 Cb 0.00 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 2hi6 s ILE 36 CO 0.00 0.56 1.45 0.68 -1.23 0.00 0.00 174.94 176.40 2hi6 s VAL 37 N -0.80 3.94 -1.08 2.92 -7.23 -0.99 -1.01 120.40 116.13 2hi6 s VAL 37 Ca 0.20 1.08 0.26 0.00 -1.81 0.00 0.00 61.98 61.71 2hi6 s VAL 37 Cb -0.15 -3.89 0.07 0.00 0.56 0.00 0.00 36.38 32.97 2hi6 s VAL 37 CO 0.09 -0.31 1.50 0.29 -0.31 0.00 0.00 175.10 176.36 2hi6 n LYS 38 N 7.32 0.09 -3.34 4.82 4.76 0.14 -3.70 118.16 128.26 2hi6 n LYS 38 Ca 0.16 -0.05 -0.31 0.00 -2.87 0.00 0.00 58.31 55.24 2hi6 n LYS 38 Cb 0.45 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.10 2hi6 n LYS 38 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2hi6 s GLU 39 N -2.94 3.79 0.14 1.97 2.56 -1.25 -5.03 118.70 117.93 2hi6 s GLU 39 Ca 0.13 0.28 -0.30 0.00 0.00 0.00 0.00 54.97 55.08 2hi6 s GLU 39 Cb 0.18 -2.61 -0.07 0.00 2.00 0.00 0.00 34.13 33.63 2hi6 s GLU 39 CO 0.66 0.26 1.06 0.34 -0.56 0.00 0.00 175.26 177.02 2hi6 s ASP 40 N -2.55 7.32 0.17 -1.70 -1.08 -1.26 -4.79 116.67 112.77 2hi6 s ASP 40 Ca 0.48 1.98 -0.24 0.00 -0.52 0.00 0.00 52.55 54.25 2hi6 s ASP 40 Cb -0.11 -2.60 0.07 0.00 -1.46 0.00 0.00 42.92 38.83 2hi6 s ASP 40 CO 0.23 -0.20 1.00 0.00 0.52 0.00 0.00 175.17 176.72 2hi6 h GLU 42 N 2.00 0.78 -1.26 0.00 4.11 -2.02 -2.45 114.58 115.74 2hi6 h GLU 42 Ca -0.26 -0.11 -0.67 0.00 0.07 0.00 0.00 59.36 58.39 2hi6 h GLU 42 Cb 1.23 -0.15 -0.32 0.00 0.50 0.00 0.00 28.75 30.01 2hi6 h GLU 42 CO 0.30 0.63 0.48 0.44 0.07 0.00 0.00 179.01 180.92 2hi6 n ILE 43 N -4.35 3.32 -2.04 -1.06 -5.35 -1.26 -5.00 119.36 103.62 2hi6 n ILE 43 Ca 0.05 -3.70 -0.42 0.00 -0.27 0.00 0.00 62.75 58.40 2hi6 n ILE 43 Cb 0.14 -1.19 -0.03 0.00 -1.74 0.00 0.00 39.64 36.83 2hi6 n ILE 43 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2hi6 s LYS 44 N -3.83 4.20 0.00 6.28 2.20 -0.92 -2.41 119.74 125.26 2hi6 s LYS 44 Ca 0.58 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 58.34 2hi6 s LYS 44 Cb 0.46 -3.86 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 2hi6 s LYS 44 CO -0.12 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.49 2hi6 n GLY 45 N 4.02 0.78 3.84 5.54 0.00 -1.24 -5.00 105.19 113.13 2hi6 n GLY 45 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.46 3.82 -0.13 1.61 0.41 -1.01 -4.78 118.70 118.14 2hi6 s GLU 46 Ca 0.00 0.93 -0.06 0.00 -0.41 0.00 0.00 54.97 55.43 2hi6 s GLU 46 Cb 0.00 -2.11 -0.04 0.00 -1.78 0.00 0.00 34.13 30.20 2hi6 s GLU 46 CO 0.00 -0.38 0.08 -1.54 -0.49 0.00 0.00 175.26 172.93 2hi6 s SER 47 N -3.29 5.87 0.00 -0.19 1.04 -1.26 -2.35 113.70 113.52 2hi6 s SER 47 Ca 0.58 0.26 0.24 0.00 0.48 0.00 0.00 55.95 57.52 2hi6 s SER 47 Cb -0.11 -1.89 0.29 0.00 0.10 0.00 0.00 66.02 64.42 2hi6 s SER 47 CO 0.37 0.32 1.30 1.33 0.98 0.00 0.00 173.24 177.54 2hi6 n VAL 48 N 2.56 0.00 -1.87 5.02 0.24 -0.72 -4.77 118.33 118.79 2hi6 n VAL 48 Ca -0.18 -0.39 -0.30 0.00 -2.04 0.00 0.00 64.34 61.43 2hi6 n VAL 48 Cb 0.54 1.25 -0.04 0.00 -1.47 0.00 0.00 33.84 34.11 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 -2.14 1.64 0.00 2.33 0.00 -1.25 -1.70 121.76 120.65 2hi6 s ALA 49 Ca 0.27 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2hi6 s ALA 49 Cb 0.20 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.87 2hi6 s ALA 49 CO 0.38 -4.66 0.00 0.41 0.00 0.00 0.00 175.76 171.89 2hi6 n GLY 50 N 6.32 0.83 3.67 0.00 0.00 -0.53 -4.96 105.19 110.52 2hi6 n GLY 50 Ca 0.34 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.62 2.47 -0.50 1.61 1.81 -0.69 -4.10 118.95 118.94 2hi6 s ARG 51 Ca 0.00 -0.91 -0.18 0.00 -1.72 0.00 0.00 55.73 52.92 2hi6 s ARG 51 Cb 0.00 -2.48 0.06 0.00 -0.45 0.00 0.00 34.95 32.09 2hi6 s ARG 51 CO 0.00 0.52 0.55 0.42 -0.68 0.00 0.00 175.30 176.11 2hi6 s ILE 52 N -1.37 5.00 -0.32 1.52 1.01 0.38 -0.51 121.20 126.91 2hi6 s ILE 52 Ca 0.25 -0.70 -0.28 0.00 0.00 0.00 0.00 60.65 59.92 2hi6 s ILE 52 Cb -0.11 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.13 2hi6 s ILE 52 CO 0.18 -0.74 1.05 -0.76 0.00 0.00 0.00 174.94 174.67 2hi6 s LEU 53 N 2.30 3.95 -0.33 2.97 1.02 -0.53 0.21 118.68 128.26 2hi6 s LEU 53 Ca 0.11 1.02 -0.02 0.00 0.02 0.00 0.00 54.13 55.27 2hi6 s LEU 53 Cb -0.21 -3.50 0.07 0.00 0.02 0.00 0.00 46.19 42.57 2hi6 s LEU 53 CO 0.10 -0.85 0.06 -0.69 0.02 0.00 0.00 176.35 174.99 2hi6 s VAL 54 N 3.57 3.10 0.04 -1.59 1.01 0.32 -1.67 120.40 125.18 2hi6 s VAL 54 Ca 0.44 -1.58 0.03 0.00 0.00 0.00 0.00 61.98 60.87 2hi6 s VAL 54 Cb -0.12 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 2hi6 s VAL 54 CO 0.15 -0.29 -0.09 0.72 0.00 0.00 0.00 175.10 175.59 2hi6 s PHE 55 N 1.22 0.75 0.18 5.22 -0.71 -1.11 -0.41 117.98 123.13 2hi6 s PHE 55 Ca -0.01 -0.43 -0.11 0.00 -1.04 0.00 0.00 56.93 55.35 2hi6 s PHE 55 Cb -0.20 -0.45 0.08 0.00 -1.21 0.00 0.00 43.02 41.24 2hi6 s PHE 55 CO -0.02 -0.05 1.70 -1.00 -1.34 0.00 0.00 175.22 174.52 2hi6 h PRO 56 N 4.71 0.99 0.00 1.99 0.13 -1.85 -3.29 132.00 134.67 2hi6 h PRO 56 Ca -0.36 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2hi6 h PRO 56 Cb 1.20 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2hi6 h PRO 56 CO 0.42 0.88 0.00 0.41 -0.23 0.00 0.00 178.00 179.48 2hi6 n GLY 57 N -0.69 -0.62 0.00 1.56 0.00 -1.26 -3.00 105.19 101.18 2hi6 n GLY 57 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.77 3.82 -0.02 0.00 -1.26 -4.16 105.19 102.80 2hi6 n GLY 58 Ca 0.00 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.05 4.04 -0.89 1.61 3.01 -0.73 -4.90 119.74 120.82 2hi6 s LYS 59 Ca 0.00 0.52 -0.13 0.00 -1.01 0.00 0.00 55.97 55.34 2hi6 s LYS 59 Cb 0.00 -3.24 0.22 0.00 -1.01 0.00 0.00 37.83 33.80 2hi6 s LYS 59 CO 0.00 0.64 0.86 0.20 0.51 0.00 0.00 175.35 177.56 2hi6 s GLY 60 N -0.97 2.72 0.19 -3.33 0.00 -1.26 -4.29 107.32 100.38 2hi6 s GLY 60 Ca 0.26 -3.39 -0.03 0.00 0.00 0.00 0.00 44.72 41.56 2hi6 s GLY 60 CO 0.15 1.33 0.41 -0.45 0.00 0.00 0.00 173.10 174.54 2hi6 s SER 61 N 2.11 6.43 -0.19 1.64 0.15 -1.26 -4.98 113.70 117.59 2hi6 s SER 61 Ca 0.22 0.51 -0.05 0.00 0.70 0.00 0.00 55.95 57.33 2hi6 s SER 61 Cb -0.10 -2.05 -0.11 0.00 -1.71 0.00 0.00 66.02 62.05 2hi6 s SER 61 CO -0.09 -0.03 3.16 1.07 1.20 0.00 0.00 173.24 178.56 2hi6 n THR 62 N -0.43 3.07 -0.21 6.45 5.66 -1.26 -4.68 114.28 122.87 2hi6 n THR 62 Ca -0.03 -2.03 0.01 0.00 -3.05 0.00 0.00 64.05 58.94 2hi6 n THR 62 Cb 0.53 -1.79 0.09 0.00 -1.55 0.00 0.00 70.33 67.60 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 1.91 0.41 0.00 1.08 2.07 -1.94 -3.46 116.25 116.33 2hi6 h VAL 63 Ca 0.26 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2hi6 h VAL 63 Cb 1.16 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2hi6 h VAL 63 CO 0.49 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.70 2hi6 n GLY 64 N -1.40 0.87 7.00 2.17 0.00 -1.26 -5.00 105.19 107.57 2hi6 n GLY 64 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.29 -0.73 0.00 1.61 3.41 -1.26 -4.85 113.62 112.09 2hi6 n SER 65 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2hi6 n SER 65 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 0.00 -0.28 7.33 4.01 -1.26 -4.72 117.16 122.24 2hi6 n TYR 66 Ca 0.00 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.90 2hi6 n TYR 66 Cb 0.00 0.00 0.42 0.00 -0.31 0.00 0.00 39.34 39.45 2hi6 n TYR 66 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 2hi6 h VAL 67 N 0.00 0.73 -0.22 -0.72 -1.51 -1.89 0.04 116.25 112.68 2hi6 h VAL 67 Ca 0.00 -0.20 -0.12 0.00 -1.23 0.00 0.00 66.70 65.15 2hi6 h VAL 67 Cb 0.00 0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 29.24 2hi6 h VAL 67 CO 0.00 0.11 -0.37 -0.07 -1.23 0.00 0.00 177.57 176.01 2hi6 h LEU 68 N 0.58 0.50 -0.33 4.19 4.07 -1.84 -2.76 115.31 119.71 2hi6 h LEU 68 Ca 0.50 -0.21 -0.17 0.00 0.08 0.00 0.00 57.88 58.08 2hi6 h LEU 68 Cb 0.99 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.58 2hi6 h LEU 68 CO -0.24 0.83 -0.48 0.25 -1.08 0.00 0.00 178.44 177.72 2hi6 h LEU 69 N 0.40 0.99 -0.85 1.67 5.85 -1.22 -2.94 115.31 119.21 2hi6 h LEU 69 Ca 0.04 -0.50 0.08 0.00 0.84 0.00 0.00 57.88 58.34 2hi6 h LEU 69 Cb 0.83 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 2hi6 h LEU 69 CO 0.07 1.30 0.51 -1.13 -0.34 0.00 0.00 178.44 178.86 2hi6 h ASN 70 N 0.71 0.78 -0.72 1.25 -0.73 -1.23 -2.00 115.58 113.64 2hi6 h ASN 70 Ca 0.03 0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.21 2hi6 h ASN 70 Cb 1.08 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.51 2hi6 h ASN 70 CO 0.11 0.47 0.33 -0.07 -0.37 0.00 0.00 177.43 177.91 2hi6 h LEU 71 N 0.90 0.96 -0.72 0.34 3.38 -1.34 -2.83 115.31 115.99 2hi6 h LEU 71 Ca 0.39 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 2hi6 h LEU 71 Cb 0.27 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2hi6 h LEU 71 CO -0.21 0.83 -0.36 -0.09 0.09 0.00 0.00 178.44 178.71 2hi6 h ARG 72 N 1.01 0.00 0.00 1.13 2.43 -1.22 -0.18 114.38 117.55 2hi6 h ARG 72 Ca 0.25 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.33 2hi6 h ARG 72 Cb 0.14 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2hi6 h ARG 72 CO -0.03 0.36 -0.42 0.87 -1.51 0.00 0.00 179.97 179.24 2hi6 h LYS 73 N 0.00 0.00 0.00 0.20 1.57 -1.14 -3.03 116.57 114.17 2hi6 h LYS 73 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2hi6 h LYS 73 Cb 0.99 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 2hi6 h LYS 73 CO 0.05 0.42 -1.75 -1.71 -0.57 0.00 0.00 179.45 175.89 2hi6 n ASN 74 N -3.48 0.66 0.00 0.86 5.15 -1.10 -4.99 115.26 112.36 2hi6 n ASN 74 Ca 0.00 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 2hi6 n ASN 74 Cb 0.56 0.33 0.00 0.00 -0.53 0.00 0.00 39.78 40.14 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 1.52 1.53 0.65 8.20 0.00 -0.46 -5.00 105.19 111.62 2hi6 n GLY 75 Ca -0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.13 2.18 -3.29 1.61 0.24 -0.21 -4.81 118.33 112.93 2hi6 n VAL 76 Ca 0.00 -2.11 -0.28 0.00 -2.04 0.00 0.00 64.34 59.91 2hi6 n VAL 76 Cb 0.00 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.09 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 -2.89 3.61 0.75 2.33 0.00 -1.18 -3.78 121.76 120.60 2hi6 s ALA 77 Ca 0.39 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.65 2hi6 s ALA 77 Cb 0.33 -2.31 0.05 0.00 0.00 0.00 0.00 23.12 21.19 2hi6 s ALA 77 CO 0.06 0.17 1.10 -2.14 0.00 0.00 0.00 175.76 174.95 2hi6 s PRO 78 N -3.71 2.36 0.07 0.00 0.02 -1.12 -1.46 135.00 131.16 2hi6 s PRO 78 Ca 0.44 1.22 -0.18 0.00 0.02 0.00 0.00 61.00 62.50 2hi6 s PRO 78 Cb -0.11 -1.91 -0.12 0.00 0.02 0.00 0.00 34.50 32.39 2hi6 s PRO 78 CO 0.31 -1.57 1.38 0.87 -0.33 0.00 0.00 177.00 177.66 2hi6 h LYS 79 N -0.88 0.50 -2.70 5.54 1.79 -1.02 -3.44 116.57 116.36 2hi6 h LYS 79 Ca -0.44 -0.27 0.07 0.00 -2.18 0.00 0.00 60.65 57.83 2hi6 h LYS 79 Cb 1.23 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.79 2hi6 h LYS 79 CO 0.52 0.84 0.33 0.00 -1.08 0.00 0.00 179.45 180.07 2hi6 s ALA 80 N -4.33 -1.57 -0.10 3.86 0.00 -1.25 -4.53 121.76 113.82 2hi6 s ALA 80 Ca -0.13 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.20 2hi6 s ALA 80 Cb 0.07 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.92 2hi6 s ALA 80 CO 0.79 -0.87 -0.13 0.42 0.00 0.00 0.00 175.76 175.97 2hi6 s ILE 81 N -3.55 1.31 -0.21 0.00 -1.09 -0.31 -1.45 121.20 115.89 2hi6 s ILE 81 Ca 0.06 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 57.98 2hi6 s ILE 81 Cb -0.02 -1.23 0.03 0.00 -1.58 0.00 0.00 42.46 39.66 2hi6 s ILE 81 CO -0.04 0.41 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.29 2hi6 s ILE 82 N 1.13 2.23 0.18 2.92 -1.09 -0.67 -2.55 121.20 123.35 2hi6 s ILE 82 Ca -0.05 -1.16 0.08 0.00 -2.23 0.00 0.00 60.65 57.30 2hi6 s ILE 82 Cb -0.14 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.61 2hi6 s ILE 82 CO -0.03 0.32 -0.16 0.20 -1.23 0.00 0.00 174.94 174.04 2hi6 s ASN 83 N 1.24 2.55 -0.01 3.58 0.02 -1.01 -2.75 114.94 118.56 2hi6 s ASN 83 Ca 0.00 -0.93 -0.25 0.00 -1.02 0.00 0.00 52.86 50.66 2hi6 s ASN 83 Cb -0.16 -0.14 -0.18 0.00 0.02 0.00 0.00 41.25 40.79 2hi6 s ASN 83 CO -0.09 -0.11 1.22 0.50 0.02 0.00 0.00 177.10 178.64 2hi6 h LYS 84 N 2.96 -0.15 -1.45 -0.60 3.64 -1.60 0.18 116.57 119.54 2hi6 h LYS 84 Ca -0.40 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.96 2hi6 h LYS 84 Cb 1.21 0.03 -0.25 0.00 -0.41 0.00 0.00 32.23 32.81 2hi6 h LYS 84 CO 0.56 0.25 -0.38 0.21 -2.27 0.00 0.00 179.45 177.83 2hi6 s LYS 85 N -4.34 0.46 0.53 1.90 2.47 -1.21 -3.72 119.74 115.83 2hi6 s LYS 85 Ca -0.15 0.77 -0.01 0.00 -1.56 0.00 0.00 55.97 55.02 2hi6 s LYS 85 Cb 0.02 0.03 0.02 0.00 -1.46 0.00 0.00 37.83 36.44 2hi6 s LYS 85 CO 0.60 -0.63 0.77 -0.08 0.16 0.00 0.00 175.35 176.17 2hi6 s THR 86 N 2.70 3.31 0.40 3.43 -1.32 -1.26 -4.72 115.64 118.19 2hi6 s THR 86 Ca 0.17 -0.47 -0.15 0.00 -1.21 0.00 0.00 61.69 60.02 2hi6 s THR 86 Cb -0.15 -3.26 -0.09 0.00 -1.51 0.00 0.00 72.50 67.50 2hi6 s THR 86 CO -0.18 -0.20 0.84 -1.61 -2.21 0.00 0.00 174.62 171.25 2hi6 s GLU 87 N -4.75 3.98 0.42 7.08 0.41 -1.26 -4.90 118.70 119.68 2hi6 s GLU 87 Ca 0.53 0.77 0.09 0.00 -0.41 0.00 0.00 54.97 55.95 2hi6 s GLU 87 Cb -0.10 -2.31 0.91 0.00 -1.78 0.00 0.00 34.13 30.84 2hi6 s GLU 87 CO 0.40 -0.01 2.03 1.15 -0.49 0.00 0.00 175.26 178.34 2hi6 h THR 88 N 1.53 1.04 -0.93 3.63 2.02 -1.98 0.90 112.91 119.12 2hi6 h THR 88 Ca -0.48 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 2hi6 h THR 88 Cb 1.18 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 2hi6 h THR 88 CO 0.63 0.09 0.54 0.40 0.37 0.00 0.00 175.52 177.56 2hi6 h ILE 89 N 0.52 1.26 0.06 3.11 5.03 -1.93 -1.35 117.51 124.21 2hi6 h ILE 89 Ca 0.19 -0.61 -0.22 0.00 -0.12 0.00 0.00 64.86 64.11 2hi6 h ILE 89 Cb 0.12 -0.03 0.02 0.00 -3.03 0.00 0.00 36.82 33.90 2hi6 h ILE 89 CO -0.05 0.28 -0.90 0.40 -0.68 0.00 0.00 178.15 177.21 2hi6 h ILE 90 N 1.29 1.38 -0.32 -0.67 2.04 -1.56 -2.07 117.51 117.60 2hi6 h ILE 90 Ca 0.33 -2.29 0.05 0.00 1.00 0.00 0.00 64.86 63.95 2hi6 h ILE 90 Cb -0.02 2.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.71 2hi6 h ILE 90 CO -0.06 0.68 0.03 0.00 0.00 0.00 0.00 178.15 178.80 2hi6 h ALA 91 N 0.28 0.31 -0.24 1.87 0.00 -0.64 0.24 119.26 121.09 2hi6 h ALA 91 Ca -0.13 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 2hi6 h ALA 91 Cb 1.61 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2hi6 h ALA 91 CO 0.17 -0.38 -0.60 0.28 0.00 0.00 0.00 179.25 178.73 2hi6 h VAL 92 N 0.13 1.29 -0.75 0.00 2.07 -1.36 -2.24 116.25 115.39 2hi6 h VAL 92 Ca 0.15 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 2hi6 h VAL 92 Cb 0.19 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 2hi6 h VAL 92 CO -0.23 0.58 0.39 1.23 0.02 0.00 0.00 177.57 179.56 2hi6 h GLY 93 N 0.76 1.14 1.91 2.17 0.00 -0.77 -1.10 103.07 107.17 2hi6 h GLY 93 Ca -0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 47.33 46.63 2hi6 h GLY 93 CO 0.13 0.51 -0.75 0.00 0.00 0.00 0.00 176.54 176.43 2hi6 h ALA 94 N 1.20 0.73 -0.79 3.60 0.00 -0.57 -2.43 119.26 121.00 2hi6 h ALA 94 Ca 0.26 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2hi6 h ALA 94 Cb 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2hi6 h ALA 94 CO -0.04 0.88 0.44 0.00 0.00 0.00 0.00 179.25 180.54 2hi6 h ALA 95 N 1.18 1.29 -0.46 0.00 0.00 -0.87 0.29 119.26 120.68 2hi6 h ALA 95 Ca -0.02 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2hi6 h ALA 95 Cb 1.32 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2hi6 h ALA 95 CO 0.10 0.58 -0.00 0.52 0.00 0.00 0.00 179.25 180.46 2hi6 h MET 96 N 1.10 0.82 -0.00 0.00 2.86 -1.03 -2.82 114.93 115.87 2hi6 h MET 96 Ca 0.28 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2hi6 h MET 96 Cb 0.01 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.59 2hi6 h MET 96 CO -0.05 0.87 -0.02 0.00 1.06 0.00 0.00 176.91 178.78 2hi6 n ALA 97 N -2.43 2.58 -3.32 6.32 0.00 -0.91 -4.89 120.51 117.86 2hi6 n ALA 97 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 2hi6 n ALA 97 Cb 0.31 -1.47 0.06 0.00 0.00 0.00 0.00 19.45 18.35 2hi6 n ALA 97 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2hi6 n GLU 98 N -1.15 -6.51 -3.49 0.00 2.13 0.53 -4.92 120.64 107.23 2hi6 n GLU 98 Ca 0.16 0.86 -0.42 0.00 0.66 0.00 0.00 57.16 58.42 2hi6 n GLU 98 Cb 0.22 -5.81 -0.05 0.00 0.27 0.00 0.00 31.44 26.07 2hi6 n GLU 98 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2hi6 s ILE 99 N -3.25 4.88 -0.19 6.31 1.01 0.71 -5.01 121.20 125.66 2hi6 s ILE 99 Ca 0.45 -2.78 -0.35 0.00 0.00 0.00 0.00 60.65 57.98 2hi6 s ILE 99 Cb -0.20 -4.05 -0.12 0.00 0.01 0.00 0.00 42.46 38.10 2hi6 s ILE 99 CO 0.56 -0.99 1.96 -0.81 0.00 0.00 0.00 174.94 175.66 2hi6 n PRO 100 N 3.64 1.76 -4.48 2.79 -0.04 -1.26 -4.53 135.00 132.88 2hi6 n PRO 100 Ca 0.13 0.61 -0.30 0.00 -0.04 0.00 0.00 63.50 63.90 2hi6 n PRO 100 Cb 0.43 -2.57 -0.12 0.00 -0.04 0.00 0.00 33.50 31.19 2hi6 n PRO 100 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2hi6 s LEU 101 N 5.06 2.52 0.15 1.53 0.05 -1.25 -1.16 118.68 125.59 2hi6 s LEU 101 Ca 0.98 -0.57 0.01 0.00 0.05 0.00 0.00 54.13 54.60 2hi6 s LEU 101 Cb -0.76 -1.43 -0.04 0.00 -2.05 0.00 0.00 46.19 41.90 2hi6 s LEU 101 CO 0.52 0.21 0.01 0.68 -0.55 0.00 0.00 176.35 177.21 2hi6 s VAL 102 N -1.03 0.53 -0.36 1.48 -7.23 -1.06 -2.58 120.40 110.15 2hi6 s VAL 102 Ca 0.15 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.22 2hi6 s VAL 102 Cb -0.10 -2.03 -0.00 0.00 0.56 0.00 0.00 36.38 34.81 2hi6 s VAL 102 CO 0.07 -0.54 0.38 -1.61 -0.31 0.00 0.00 175.10 173.09 2hi6 s GLU 103 N -3.94 3.44 -0.30 4.82 2.02 0.31 -2.42 118.70 122.63 2hi6 s GLU 103 Ca 0.22 -0.51 -0.05 0.00 0.02 0.00 0.00 54.97 54.65 2hi6 s GLU 103 Cb 0.06 -3.85 0.03 0.00 0.10 0.00 0.00 34.13 30.47 2hi6 s GLU 103 CO 0.02 -0.61 0.05 0.54 0.02 0.00 0.00 175.26 175.28 2hi6 s VAL 104 N 2.04 3.59 -0.36 2.63 0.11 0.64 -0.49 120.40 128.56 2hi6 s VAL 104 Ca 0.12 -0.98 0.04 0.00 -2.93 0.00 0.00 61.98 58.23 2hi6 s VAL 104 Cb -0.17 -2.93 0.55 0.00 -1.53 0.00 0.00 36.38 32.30 2hi6 s VAL 104 CO 0.12 -0.01 1.69 0.54 -3.33 0.00 0.00 175.10 174.11 2hi6 n ARG 105 N 4.78 2.33 -4.20 1.54 1.74 -1.26 -3.97 116.66 117.62 2hi6 n ARG 105 Ca -0.14 -2.40 -0.33 0.00 -0.77 0.00 0.00 57.85 54.20 2hi6 n ARG 105 Cb 0.46 -1.96 -0.16 0.00 -1.02 0.00 0.00 32.46 29.78 2hi6 n ARG 105 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2hi6 s ASP 106 N -0.79 3.41 0.21 0.55 2.15 -1.26 -5.00 116.67 115.94 2hi6 s ASP 106 Ca 0.45 -0.57 0.02 0.00 0.43 0.00 0.00 52.55 52.87 2hi6 s ASP 106 Cb 0.37 -1.53 0.16 0.00 -0.30 0.00 0.00 42.92 41.62 2hi6 s ASP 106 CO 0.09 0.02 1.50 -0.08 -0.17 0.00 0.00 175.17 176.53 2hi6 h GLU 107 N 7.81 0.32 -0.57 4.34 4.57 -2.03 -3.23 114.58 125.80 2hi6 h GLU 107 Ca -0.42 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 57.52 2hi6 h GLU 107 Cb 1.16 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.76 2hi6 h GLU 107 CO 0.61 0.86 0.34 0.87 -1.18 0.00 0.00 179.01 180.52 2hi6 h LYS 108 N 0.23 0.77 -0.65 1.92 1.79 -2.00 -2.18 116.57 116.46 2hi6 h LYS 108 Ca -0.01 -0.06 0.12 0.00 -2.18 0.00 0.00 60.65 58.51 2hi6 h LYS 108 Cb 1.19 -0.16 -0.09 0.00 -1.58 0.00 0.00 32.23 31.59 2hi6 h LYS 108 CO 0.11 0.54 0.18 0.35 -1.08 0.00 0.00 179.45 179.55 2hi6 h PHE 109 N 0.78 0.30 0.00 -1.35 3.57 -1.99 0.17 116.94 118.42 2hi6 h PHE 109 Ca 0.21 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 2hi6 h PHE 109 Cb -0.03 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 2hi6 h PHE 109 CO 0.00 0.00 -0.13 0.74 -2.23 0.00 0.00 178.31 176.69 2hi6 h PHE 110 N 0.32 0.00 0.00 0.41 0.04 -1.56 -0.53 116.94 115.63 2hi6 h PHE 110 Ca 0.34 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.89 2hi6 h PHE 110 Cb 0.51 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.62 2hi6 h PHE 110 CO -0.22 0.13 -1.46 0.93 -0.60 0.00 0.00 178.31 177.10 2hi6 h GLU 111 N 0.00 0.00 -0.16 1.51 4.39 -1.29 -3.36 114.58 115.68 2hi6 h GLU 111 Ca -0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2hi6 h GLU 111 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2hi6 h GLU 111 CO 0.02 0.47 -0.33 0.00 -1.16 0.00 0.00 179.01 178.01 2hi6 h ALA 112 N 1.18 0.25 -2.85 3.43 0.00 -0.01 -3.44 119.26 117.83 2hi6 h ALA 112 Ca -0.20 -0.43 -0.58 0.00 0.00 0.00 0.00 54.91 53.70 2hi6 h ALA 112 Cb 1.80 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.48 2hi6 h ALA 112 CO 0.07 0.30 -0.14 0.54 0.00 0.00 0.00 179.25 180.02 2hi6 s VAL 113 N -3.99 5.11 0.19 0.00 0.11 -0.27 -5.08 120.40 116.47 2hi6 s VAL 113 Ca -0.13 0.95 0.06 0.00 -2.93 0.00 0.00 61.98 59.93 2hi6 s VAL 113 Cb 0.06 -3.80 -0.05 0.00 -1.53 0.00 0.00 36.38 31.06 2hi6 s VAL 113 CO 0.80 0.40 -0.11 -0.54 -3.33 0.00 0.00 175.10 172.33 2hi6 s LYS 114 N 0.08 1.24 0.09 1.54 -0.14 -1.26 -4.79 119.74 116.49 2hi6 s LYS 114 Ca 0.26 -1.56 -0.31 0.00 -1.36 0.00 0.00 55.97 53.00 2hi6 s LYS 114 Cb -0.16 -0.88 -0.09 0.00 -1.68 0.00 0.00 37.83 35.02 2hi6 s LYS 114 CO 0.12 0.10 1.70 -0.08 -0.76 0.00 0.00 175.35 176.44 2hi6 s THR 115 N -3.16 2.85 0.00 2.17 -1.32 -1.26 -2.62 115.64 112.30 2hi6 s THR 115 Ca 0.21 0.34 0.00 0.00 -1.21 0.00 0.00 61.69 61.04 2hi6 s THR 115 Cb 0.01 -3.22 0.00 0.00 -1.51 0.00 0.00 72.50 67.78 2hi6 s THR 115 CO 0.05 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 2hi6 n GLY 116 N 4.06 1.98 3.98 6.08 0.00 -0.37 -4.93 105.19 115.99 2hi6 n GLY 116 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.95 4.56 -0.12 1.61 1.01 -1.08 -4.83 116.67 115.88 2hi6 s ASP 117 Ca 0.00 -0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.08 2hi6 s ASP 117 Cb 0.00 -0.32 -0.01 0.00 1.01 0.00 0.00 42.92 43.60 2hi6 s ASP 117 CO 0.00 -1.70 -0.17 -0.60 0.21 0.00 0.00 175.17 172.91 2hi6 s ARG 118 N -5.09 3.26 -0.03 8.23 3.00 -1.24 0.11 118.95 127.19 2hi6 s ARG 118 Ca 0.64 -0.76 0.05 0.00 -1.00 0.00 0.00 55.73 54.67 2hi6 s ARG 118 Cb -0.07 -2.52 -0.02 0.00 0.00 0.00 0.00 34.95 32.34 2hi6 s ARG 118 CO 0.43 0.19 -0.19 0.08 0.00 0.00 0.00 175.30 175.82 2hi6 s VAL 119 N 0.37 2.68 -0.39 7.11 1.01 -1.11 -1.70 120.40 128.37 2hi6 s VAL 119 Ca -0.13 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 2hi6 s VAL 119 Cb -0.17 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.24 2hi6 s VAL 119 CO 0.07 0.57 0.23 -0.69 0.00 0.00 0.00 175.10 175.28 2hi6 s VAL 120 N -0.70 4.49 -0.27 2.92 1.01 0.14 -2.91 120.40 125.08 2hi6 s VAL 120 Ca 0.11 -1.05 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 2hi6 s VAL 120 Cb -0.10 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2hi6 s VAL 120 CO 0.00 -0.34 0.50 -0.69 0.00 0.00 0.00 175.10 174.58 2hi6 s VAL 121 N 1.52 5.07 -0.51 2.92 1.01 0.13 -1.35 120.40 129.19 2hi6 s VAL 121 Ca 0.02 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2hi6 s VAL 121 Cb -0.21 -3.83 0.13 0.00 0.00 0.00 0.00 36.38 32.47 2hi6 s VAL 121 CO 0.05 0.05 0.28 0.21 0.00 0.00 0.00 175.10 175.70 2hi6 s ASN 122 N 1.58 4.92 0.00 3.32 3.84 -0.33 -1.19 114.94 127.09 2hi6 s ASN 122 Ca 0.20 -2.62 0.26 0.00 0.21 0.00 0.00 52.86 50.91 2hi6 s ASN 122 Cb -0.16 -1.76 0.65 0.00 -0.55 0.00 0.00 41.25 39.43 2hi6 s ASN 122 CO 0.10 -0.37 1.51 0.00 -2.79 0.00 0.00 177.10 175.55 2hi6 n ALA 123 N 3.73 2.62 0.13 1.71 0.00 0.16 0.02 120.51 128.89 2hi6 n ALA 123 Ca 0.04 -0.55 -0.24 0.00 0.00 0.00 0.00 53.44 52.69 2hi6 n ALA 123 Cb 0.38 -1.01 -0.16 0.00 0.00 0.00 0.00 19.45 18.66 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 3.17 0.81 0.07 0.00 3.58 -1.80 -3.35 116.42 118.90 2hi6 h ASP 124 Ca 0.00 -0.92 -0.29 0.00 0.42 0.00 0.00 57.03 56.24 2hi6 h ASP 124 Cb 0.70 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.44 2hi6 h ASP 124 CO 0.00 1.71 -2.22 -0.62 -2.88 0.00 0.00 179.24 175.23 2hi6 n GLU 125 N -3.73 0.68 -0.42 0.28 1.02 -1.25 -4.93 120.64 112.29 2hi6 n GLU 125 Ca -0.18 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 2hi6 n GLU 125 Cb 1.09 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 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 1.63 0.90 3.21 0.62 0.00 -0.25 -4.91 105.19 106.39 2hi6 n GLY 126 Ca -0.26 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 2hi6 n GLY 126 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hi6 s TYR 127 N -2.25 -0.21 -0.27 1.61 2.02 0.10 -2.40 117.35 115.95 2hi6 s TYR 127 Ca 0.00 0.42 0.03 0.00 -0.37 0.00 0.00 57.07 57.15 2hi6 s TYR 127 Cb 0.00 0.09 0.06 0.00 -0.40 0.00 0.00 41.96 41.71 2hi6 s TYR 127 CO 0.00 -0.29 -0.09 0.08 -1.57 0.00 0.00 175.55 173.68 2hi6 s VAL 128 N -0.79 2.23 -0.44 0.71 1.01 0.85 -1.18 120.40 122.78 2hi6 s VAL 128 Ca -0.09 -1.71 -0.15 0.00 0.00 0.00 0.00 61.98 60.03 2hi6 s VAL 128 Cb -0.04 -2.35 0.04 0.00 0.00 0.00 0.00 36.38 34.03 2hi6 s VAL 128 CO 0.03 -0.10 0.35 -1.61 0.00 0.00 0.00 175.10 173.77 2hi6 s GLU 129 N 1.09 2.98 -0.10 2.72 2.02 -0.46 -0.97 118.70 125.98 2hi6 s GLU 129 Ca -0.07 -1.15 -0.16 0.00 0.02 0.00 0.00 54.97 53.61 2hi6 s GLU 129 Cb -0.20 -4.05 -0.05 0.00 0.10 0.00 0.00 34.13 29.94 2hi6 s GLU 129 CO -0.05 -0.88 0.41 -1.17 0.02 0.00 0.00 175.26 173.59 2hi6 s LEU 130 N 1.69 4.32 -0.23 1.80 2.96 -1.25 0.26 118.68 128.23 2hi6 s LEU 130 Ca 0.05 0.77 0.01 0.00 -0.22 0.00 0.00 54.13 54.75 2hi6 s LEU 130 Cb -0.21 -2.58 0.04 0.00 0.50 0.00 0.00 46.19 43.93 2hi6 s LEU 130 CO 0.09 0.11 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.46 2hi6 s ILE 131 N 0.14 2.24 -2.00 6.68 1.01 -0.69 -4.78 121.20 123.80 2hi6 s ILE 131 Ca 0.23 -1.25 0.13 0.00 0.00 0.00 0.00 60.65 59.76 2hi6 s ILE 131 Cb -0.15 -2.14 0.36 0.00 0.01 0.00 0.00 42.46 40.55 2hi6 s ILE 131 CO 0.09 0.24 1.19 -0.62 0.00 0.00 0.00 174.94 175.85