#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 1.20 0.25 7.34 2.20 -1.26 -2.48 119.74 126.99 2hi6 s LYS 2 Ca 0.00 -0.43 0.05 0.00 -0.36 0.00 0.00 55.97 55.23 2hi6 s LYS 2 Cb 0.00 -1.90 -0.05 0.00 -1.51 0.00 0.00 37.83 34.37 2hi6 s LYS 2 CO 0.00 -0.45 -0.04 -0.06 -0.36 0.00 0.00 175.35 174.44 2hi6 s PHE 3 N 1.71 1.73 -0.03 4.03 0.08 -0.59 -5.05 117.98 119.86 2hi6 s PHE 3 Ca 0.01 -0.80 0.07 0.00 0.12 0.00 0.00 56.93 56.33 2hi6 s PHE 3 Cb -0.15 -0.98 -0.02 0.00 -0.57 0.00 0.00 43.02 41.29 2hi6 s PHE 3 CO -0.07 0.13 -0.23 0.00 -0.10 0.00 0.00 175.22 174.94 2hi6 s ALA 4 N -3.21 2.29 0.43 5.36 0.00 -1.26 -1.57 121.76 123.79 2hi6 s ALA 4 Ca 0.28 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 51.22 2hi6 s ALA 4 Cb 0.04 -0.67 -0.07 0.00 0.00 0.00 0.00 23.12 22.43 2hi6 s ALA 4 CO 0.10 0.52 0.01 0.00 0.00 0.00 0.00 175.76 176.39 2hi6 s ARG 6 N -3.75 3.88 -0.74 0.00 3.52 -0.57 -4.42 118.95 116.88 2hi6 s ARG 6 Ca 0.29 0.05 -0.26 0.00 -0.13 0.00 0.00 55.73 55.69 2hi6 s ARG 6 Cb 0.08 -3.71 -0.02 0.00 -1.56 0.00 0.00 34.95 29.74 2hi6 s ARG 6 CO 0.15 -0.44 1.78 0.00 -0.81 0.00 0.00 175.30 175.98 2hi6 s ALA 7 N 2.27 2.14 -0.06 6.12 0.00 -1.26 -2.24 121.76 128.72 2hi6 s ALA 7 Ca 0.18 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 50.86 2hi6 s ALA 7 Cb -0.16 -4.39 -0.31 0.00 0.00 0.00 0.00 23.12 18.27 2hi6 s ALA 7 CO 0.11 -4.06 0.79 0.82 0.00 0.00 0.00 175.76 173.42 2hi6 h ILE 8 N 6.87 1.30 -2.90 0.00 1.08 -1.81 -3.49 117.51 118.57 2hi6 h ILE 8 Ca -0.13 -2.51 0.00 0.00 -0.39 0.00 0.00 64.86 61.83 2hi6 h ILE 8 Cb 1.09 3.01 0.00 0.00 -3.07 0.00 0.00 36.82 37.85 2hi6 h ILE 8 CO 1.24 0.73 0.00 0.35 -0.69 0.00 0.00 178.15 179.78 2hi6 n THR 9 N -3.99 0.00 -4.32 -0.27 -2.24 -0.91 -5.04 114.28 97.52 2hi6 n THR 9 Ca -0.18 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.42 2hi6 n THR 9 Cb 0.90 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 2hi6 n THR 9 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2hi6 n ARG 10 N 0.00 1.28 0.00 -0.78 1.74 -1.26 -4.19 116.66 113.45 2hi6 n ARG 10 Ca 0.00 -2.01 0.00 0.00 -0.77 0.00 0.00 57.85 55.07 2hi6 n ARG 10 Cb 0.00 0.50 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 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 1.62 3.18 2.69 -0.13 0.00 -1.26 -4.19 105.19 107.11 2hi6 n GLY 11 Ca -0.10 -1.65 -0.21 0.00 0.00 0.00 0.00 46.02 44.06 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 -4.48 0.03 0.25 1.61 0.52 -1.26 0.08 118.95 115.70 2hi6 s ARG 12 Ca 0.00 0.23 -0.16 0.00 -0.52 0.00 0.00 55.73 55.28 2hi6 s ARG 12 Cb 0.00 -1.01 0.01 0.00 0.52 0.00 0.00 34.95 34.46 2hi6 s ARG 12 CO 0.00 -0.49 0.57 0.00 0.02 0.00 0.00 175.30 175.40 2hi6 s ALA 13 N 2.21 -0.68 0.03 2.13 0.00 -0.68 -5.01 121.76 119.76 2hi6 s ALA 13 Ca 0.04 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.42 2hi6 s ALA 13 Cb -0.14 0.96 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 2hi6 s ALA 13 CO -0.07 -0.92 -0.08 -1.83 0.00 0.00 0.00 175.76 172.87 2hi6 s GLU 14 N -3.97 0.53 0.09 0.00 -1.05 -1.26 -0.13 118.70 112.91 2hi6 s GLU 14 Ca 0.17 -0.60 -0.07 0.00 -0.15 0.00 0.00 54.97 54.32 2hi6 s GLU 14 Cb -0.03 -0.39 0.03 0.00 -0.44 0.00 0.00 34.13 33.30 2hi6 s GLU 14 CO 0.07 0.09 0.34 0.41 0.95 0.00 0.00 175.26 177.11 2hi6 n GLY 15 N 1.92 1.23 3.70 -3.83 0.00 -1.09 -5.01 105.19 102.11 2hi6 n GLY 15 Ca -0.19 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 2hi6 n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hi6 s GLU 16 N -2.02 4.40 -0.26 1.61 2.12 -1.26 -2.25 118.70 121.04 2hi6 s GLU 16 Ca 0.07 1.73 -0.29 0.00 0.36 0.00 0.00 54.97 56.85 2hi6 s GLU 16 Cb -0.01 -3.44 0.01 0.00 0.26 0.00 0.00 34.13 30.95 2hi6 s GLU 16 CO 0.03 -0.34 1.03 0.00 -0.54 0.00 0.00 175.26 175.44 2hi6 s ALA 17 N 1.56 3.63 -0.38 6.30 0.00 0.11 -0.28 121.76 132.71 2hi6 s ALA 17 Ca 0.58 0.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.50 2hi6 s ALA 17 Cb -0.28 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.30 2hi6 s ALA 17 CO 0.26 -1.16 0.24 -1.17 0.00 0.00 0.00 175.76 173.93 2hi6 s LEU 18 N 3.29 4.78 -0.40 0.00 2.96 0.14 -2.13 118.68 127.32 2hi6 s LEU 18 Ca 0.44 -0.83 -0.15 0.00 -0.22 0.00 0.00 54.13 53.37 2hi6 s LEU 18 Cb -0.14 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.47 2hi6 s LEU 18 CO 0.09 -0.37 0.34 -0.69 -1.32 0.00 0.00 176.35 174.39 2hi6 s VAL 19 N 1.63 5.21 -0.13 1.68 1.01 -1.26 -1.36 120.40 127.18 2hi6 s VAL 19 Ca 0.04 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2hi6 s VAL 19 Cb -0.19 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 2hi6 s VAL 19 CO 0.08 -0.30 -0.07 -0.89 0.00 0.00 0.00 175.10 173.93 2hi6 s THR 20 N 1.84 3.65 -0.86 3.92 2.01 0.23 -4.87 115.64 121.55 2hi6 s THR 20 Ca 0.08 -0.46 0.18 0.00 0.31 0.00 0.00 61.69 61.80 2hi6 s THR 20 Cb -0.18 -2.56 -0.20 0.00 0.01 0.00 0.00 72.50 69.57 2hi6 s THR 20 CO 0.11 0.52 0.77 0.29 -0.69 0.00 0.00 174.62 175.63 2hi6 n LYS 21 N 3.24 0.97 -3.62 4.92 4.76 -1.26 -4.03 118.16 123.13 2hi6 n LYS 21 Ca -0.18 -0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.05 2hi6 n LYS 21 Cb 0.53 -1.36 -0.01 0.00 -1.84 0.00 0.00 35.03 32.34 2hi6 n LYS 21 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2hi6 s GLU 22 N -2.72 3.35 -0.02 1.97 2.56 -1.26 -4.93 118.70 117.65 2hi6 s GLU 22 Ca 0.07 -0.67 -0.10 0.00 0.00 0.00 0.00 54.97 54.26 2hi6 s GLU 22 Cb 0.14 -2.79 -0.05 0.00 2.00 0.00 0.00 34.13 33.43 2hi6 s GLU 22 CO 0.75 0.22 0.31 0.71 -0.56 0.00 0.00 175.26 176.69 2hi6 s TYR 23 N -2.16 3.64 -0.11 5.30 2.02 -1.26 -4.85 117.35 119.93 2hi6 s TYR 23 Ca 0.39 0.76 0.01 0.00 -0.37 0.00 0.00 57.07 57.86 2hi6 s TYR 23 Cb -0.09 -2.12 -0.02 0.00 -0.40 0.00 0.00 41.96 39.33 2hi6 s TYR 23 CO 0.32 0.64 -0.14 0.42 -1.57 0.00 0.00 175.55 175.23 2hi6 s ILE 24 N -1.16 3.04 -0.33 2.71 1.09 -1.26 -4.87 121.20 120.42 2hi6 s ILE 24 Ca 0.24 -0.68 -0.29 0.00 -1.10 0.00 0.00 60.65 58.81 2hi6 s ILE 24 Cb -0.14 -2.25 0.01 0.00 -1.06 0.00 0.00 42.46 39.02 2hi6 s ILE 24 CO 0.12 0.54 1.15 -0.94 -0.10 0.00 0.00 174.94 175.72 2hi6 s SER 25 N 0.03 6.82 0.00 3.58 1.04 -1.10 -4.38 113.70 119.69 2hi6 s SER 25 Ca -0.05 1.03 0.15 0.00 0.48 0.00 0.00 55.95 57.56 2hi6 s SER 25 Cb -0.14 -2.54 0.74 0.00 0.10 0.00 0.00 66.02 64.17 2hi6 s SER 25 CO 0.04 -0.99 1.42 0.49 0.98 0.00 0.00 173.24 175.19 2hi6 n PHE 26 N 7.21 0.00 0.19 5.02 3.72 -1.26 -1.06 117.46 131.28 2hi6 n PHE 26 Ca 0.13 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.56 2hi6 n PHE 26 Cb 0.47 -0.32 0.43 0.00 -0.94 0.00 0.00 39.48 39.12 2hi6 n PHE 26 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2hi6 h LEU 27 N 0.00 0.06 0.00 4.37 7.12 -1.86 -3.44 115.31 121.56 2hi6 h LEU 27 Ca 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2hi6 h LEU 27 Cb 0.16 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.27 2hi6 h LEU 27 CO 0.00 0.30 0.00 0.61 -0.13 0.00 0.00 178.44 179.22 2hi6 n GLY 28 N -0.80 -0.15 1.26 3.75 0.00 -0.85 -5.03 105.19 103.38 2hi6 n GLY 28 Ca -0.02 0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 2.38 3.04 -0.02 0.00 -0.22 -4.83 105.19 105.54 2hi6 n GLY 29 Ca 0.00 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.88 0.94 -0.01 -0.61 1.01 -1.26 0.18 121.20 119.57 2hi6 s ILE 30 Ca 0.28 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 2hi6 s ILE 30 Cb 0.22 -0.82 -0.06 0.00 0.01 0.00 0.00 42.46 41.82 2hi6 s ILE 30 CO 0.08 0.28 1.47 -0.62 0.00 0.00 0.00 174.94 176.15 2hi6 s ASP 31 N 0.05 6.79 0.10 3.58 2.15 0.14 -4.86 116.67 124.61 2hi6 s ASP 31 Ca -0.01 2.16 0.27 0.00 0.43 0.00 0.00 52.55 55.40 2hi6 s ASP 31 Cb -0.08 -2.55 1.02 0.00 -0.30 0.00 0.00 42.92 41.01 2hi6 s ASP 31 CO 0.01 -0.79 1.84 2.29 -0.17 0.00 0.00 175.17 178.35 2hi6 n LYS 32 N 5.83 0.12 -0.06 4.34 2.85 -1.26 -0.28 118.16 129.70 2hi6 n LYS 32 Ca 0.14 0.12 -0.21 0.00 -1.05 0.00 0.00 58.31 57.31 2hi6 n LYS 32 Cb 0.43 -1.64 -0.13 0.00 -0.65 0.00 0.00 35.03 33.04 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 -1.85 0.70 -0.10 -1.58 4.71 -1.26 -4.68 120.64 116.58 2hi6 n GLU 33 Ca 0.06 0.24 -0.13 0.00 -0.01 0.00 0.00 57.16 57.32 2hi6 n GLU 33 Cb 0.37 -1.63 -0.11 0.00 -1.01 0.00 0.00 31.44 29.06 2hi6 n GLU 33 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2hi6 n THR 34 N -3.50 1.24 -0.16 2.62 -2.24 -1.22 -4.94 114.28 106.07 2hi6 n THR 34 Ca -0.38 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 2hi6 n THR 34 Cb 1.00 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 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 2.30 0.91 3.71 3.38 0.00 0.62 -4.82 105.19 111.27 2hi6 n GLY 35 Ca -0.36 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 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 5.16 0.41 -0.61 -1.09 -1.25 -1.49 121.20 120.33 2hi6 s ILE 36 Ca 0.00 0.99 -0.26 0.00 -2.23 0.00 0.00 60.65 59.14 2hi6 s ILE 36 Cb 0.00 -3.84 -0.09 0.00 -1.58 0.00 0.00 42.46 36.95 2hi6 s ILE 36 CO 0.00 0.28 1.38 0.68 -1.23 0.00 0.00 174.94 176.05 2hi6 s VAL 37 N 0.91 2.32 -2.14 2.92 -7.23 -1.20 0.26 120.40 116.23 2hi6 s VAL 37 Ca 0.26 0.29 0.24 0.00 -1.81 0.00 0.00 61.98 60.97 2hi6 s VAL 37 Cb -0.15 -3.18 0.16 0.00 0.56 0.00 0.00 36.38 33.77 2hi6 s VAL 37 CO 0.11 0.05 1.32 0.29 -0.31 0.00 0.00 175.10 176.56 2hi6 n LYS 38 N 0.12 1.31 -3.21 4.82 4.76 0.13 -4.29 118.16 121.80 2hi6 n LYS 38 Ca 0.03 -0.99 -0.26 0.00 -2.87 0.00 0.00 58.31 54.23 2hi6 n LYS 38 Cb 0.42 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.12 2hi6 n LYS 38 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2hi6 s GLU 39 N -2.37 3.53 0.01 1.97 2.02 -1.25 -5.05 118.70 117.56 2hi6 s GLU 39 Ca 0.24 -0.15 -0.16 0.00 0.02 0.00 0.00 54.97 54.92 2hi6 s GLU 39 Cb 0.19 -2.60 -0.06 0.00 0.10 0.00 0.00 34.13 31.77 2hi6 s GLU 39 CO 0.49 0.09 0.45 0.34 0.02 0.00 0.00 175.26 176.65 2hi6 s ASP 40 N -3.87 6.86 -0.11 -0.19 2.15 -1.26 -4.50 116.67 115.76 2hi6 s ASP 40 Ca 0.42 1.02 -0.33 0.00 0.43 0.00 0.00 52.55 54.09 2hi6 s ASP 40 Cb -0.10 -2.28 0.15 0.00 -0.30 0.00 0.00 42.92 40.39 2hi6 s ASP 40 CO 0.37 0.29 1.41 0.00 -0.17 0.00 0.00 175.17 177.07 2hi6 h GLU 42 N 2.00 0.60 -0.62 0.00 4.81 -2.05 -2.91 114.58 116.41 2hi6 h GLU 42 Ca -0.29 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 2hi6 h GLU 42 Cb 1.18 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2hi6 h GLU 42 CO 0.28 0.83 0.00 0.44 -0.73 0.00 0.00 179.01 179.84 2hi6 n ILE 43 N -4.08 1.40 -3.88 2.32 -5.35 -1.26 -4.93 119.36 103.57 2hi6 n ILE 43 Ca -0.01 -1.12 -0.33 0.00 -0.27 0.00 0.00 62.75 61.02 2hi6 n ILE 43 Cb 0.46 0.32 -0.05 0.00 -1.74 0.00 0.00 39.64 38.63 2hi6 n ILE 43 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2hi6 s LYS 44 N -1.42 3.47 0.00 6.28 1.02 -1.10 -4.45 119.74 123.53 2hi6 s LYS 44 Ca 0.45 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 56.13 2hi6 s LYS 44 Cb 0.27 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 2hi6 s LYS 44 CO 0.26 0.64 0.00 0.41 -0.92 0.00 0.00 175.35 175.74 2hi6 n GLY 45 N 0.69 1.04 3.68 -3.33 0.00 -1.26 -4.60 105.19 101.41 2hi6 n GLY 45 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 2hi6 n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hi6 n GLU 46 N -0.15 0.70 -3.35 1.61 1.02 -1.26 -4.83 120.64 114.37 2hi6 n GLU 46 Ca 0.00 -3.28 -0.38 0.00 -0.02 0.00 0.00 57.16 53.48 2hi6 n GLU 46 Cb 0.00 0.29 -0.06 0.00 -0.02 0.00 0.00 31.44 31.65 2hi6 n GLU 46 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2hi6 s SER 47 N -4.15 6.77 0.00 1.62 0.01 -1.26 -3.26 113.70 113.43 2hi6 s SER 47 Ca 0.33 0.92 0.22 0.00 1.31 0.00 0.00 55.95 58.72 2hi6 s SER 47 Cb -0.03 -2.29 0.36 0.00 0.21 0.00 0.00 66.02 64.28 2hi6 s SER 47 CO 0.21 0.12 1.33 1.33 0.41 0.00 0.00 173.24 176.64 2hi6 n VAL 48 N 2.94 0.44 -1.91 3.43 0.24 -0.55 -4.89 118.33 118.02 2hi6 n VAL 48 Ca -0.09 -0.72 -0.38 0.00 -2.04 0.00 0.00 64.34 61.11 2hi6 n VAL 48 Cb 0.52 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.90 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 -1.47 2.04 0.00 2.33 0.00 -1.24 -2.31 121.76 121.10 2hi6 s ALA 49 Ca 0.35 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2hi6 s ALA 49 Cb 0.21 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 19.01 2hi6 s ALA 49 CO 0.29 -4.04 0.00 0.41 0.00 0.00 0.00 175.76 172.43 2hi6 n GLY 50 N 5.78 0.63 3.67 0.00 0.00 -0.32 -4.93 105.19 110.02 2hi6 n GLY 50 Ca 0.25 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.18 2.43 -0.57 1.61 1.81 -0.98 -4.20 118.95 117.87 2hi6 s ARG 51 Ca 0.00 -1.13 -0.25 0.00 -1.72 0.00 0.00 55.73 52.62 2hi6 s ARG 51 Cb 0.00 -2.35 0.04 0.00 -0.45 0.00 0.00 34.95 32.19 2hi6 s ARG 51 CO 0.00 0.44 1.01 0.42 -0.68 0.00 0.00 175.30 176.50 2hi6 s ILE 52 N -1.82 4.28 -0.09 1.52 1.09 0.62 -1.00 121.20 125.79 2hi6 s ILE 52 Ca 0.28 0.41 -0.27 0.00 -1.10 0.00 0.00 60.65 59.97 2hi6 s ILE 52 Cb -0.09 -4.60 -0.02 0.00 -1.06 0.00 0.00 42.46 36.69 2hi6 s ILE 52 CO 0.19 -1.20 0.90 -0.22 -0.10 0.00 0.00 174.94 174.51 2hi6 s LEU 53 N 4.25 4.27 -0.24 2.97 2.96 0.13 0.25 118.68 133.27 2hi6 s LEU 53 Ca 0.33 1.41 -0.01 0.00 -0.22 0.00 0.00 54.13 55.65 2hi6 s LEU 53 Cb -0.11 -3.39 0.07 0.00 0.50 0.00 0.00 46.19 43.26 2hi6 s LEU 53 CO 0.20 -0.33 0.02 0.54 -1.32 0.00 0.00 176.35 175.46 2hi6 s VAL 54 N 1.59 1.03 0.05 1.68 0.11 -0.46 -2.17 120.40 122.23 2hi6 s VAL 54 Ca 0.45 -1.08 0.02 0.00 -2.93 0.00 0.00 61.98 58.44 2hi6 s VAL 54 Cb -0.18 -1.53 -0.03 0.00 -1.53 0.00 0.00 36.38 33.11 2hi6 s VAL 54 CO 0.19 -0.31 -0.07 0.72 -3.33 0.00 0.00 175.10 172.29 2hi6 s PHE 55 N 1.60 0.69 0.09 1.54 -0.71 -1.26 -0.60 117.98 119.32 2hi6 s PHE 55 Ca 0.01 -0.57 -0.30 0.00 -1.04 0.00 0.00 56.93 55.02 2hi6 s PHE 55 Cb -0.18 -0.41 -0.15 0.00 -1.21 0.00 0.00 43.02 41.07 2hi6 s PHE 55 CO -0.12 -0.10 1.64 -1.35 -1.34 0.00 0.00 175.22 173.95 2hi6 h PRO 56 N 4.25 -0.64 0.00 1.99 0.11 -1.89 -3.35 132.00 132.46 2hi6 h PRO 56 Ca -0.36 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2hi6 h PRO 56 Cb 1.20 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2hi6 h PRO 56 CO 0.45 -0.43 0.00 0.41 -0.21 0.00 0.00 178.00 178.22 2hi6 n GLY 57 N -1.41 4.52 0.00 -0.55 0.00 -1.26 -1.66 105.19 104.83 2hi6 n GLY 57 Ca -0.10 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.18 -0.65 3.58 -0.02 0.00 -1.26 -4.94 105.19 100.72 2hi6 n GLY 58 Ca 0.00 0.59 -0.36 0.00 0.00 0.00 0.00 46.02 46.24 2hi6 n GLY 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hi6 s LYS 59 N 1.18 3.31 -0.41 1.61 2.20 -1.26 -4.72 119.74 121.65 2hi6 s LYS 59 Ca 0.00 -1.48 0.06 0.00 -0.36 0.00 0.00 55.97 54.18 2hi6 s LYS 59 Cb 0.00 -5.38 0.18 0.00 -1.51 0.00 0.00 37.83 31.12 2hi6 s LYS 59 CO 0.00 -2.95 0.70 0.20 -0.36 0.00 0.00 175.35 172.94 2hi6 s GLY 60 N 5.39 -1.31 0.15 5.54 0.00 -1.26 -2.72 107.32 113.11 2hi6 s GLY 60 Ca 0.59 0.26 -0.16 0.00 0.00 0.00 0.00 44.72 45.42 2hi6 s GLY 60 CO 0.07 3.75 0.43 -0.45 0.00 0.00 0.00 173.10 176.90 2hi6 s SER 61 N 1.73 -0.23 -0.86 1.64 0.15 -1.26 -4.85 113.70 110.02 2hi6 s SER 61 Ca 0.18 -0.40 -0.04 0.00 0.70 0.00 0.00 55.95 56.39 2hi6 s SER 61 Cb -0.02 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2hi6 s SER 61 CO -0.08 -0.92 0.74 0.41 1.20 0.00 0.00 173.24 174.60 2hi6 n THR 62 N -0.26 -2.77 0.17 6.45 -1.04 -1.26 -4.54 114.28 111.04 2hi6 n THR 62 Ca -0.14 -0.13 0.04 0.00 -2.04 0.00 0.00 64.05 61.78 2hi6 n THR 62 Cb 0.63 -3.55 0.29 0.00 -1.82 0.00 0.00 70.33 65.88 2hi6 n THR 62 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2hi6 h VAL 63 N -1.60 1.04 0.00 12.58 2.07 -1.91 -3.44 116.25 125.00 2hi6 h VAL 63 Ca -0.38 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.45 2hi6 h VAL 63 Cb 1.24 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 2hi6 h VAL 63 CO 0.36 0.43 0.00 0.61 0.02 0.00 0.00 177.57 178.99 2hi6 n GLY 64 N 0.24 1.97 0.00 2.17 0.00 -1.26 -4.22 105.19 104.09 2hi6 n GLY 64 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 4.02 0.00 0.00 1.61 3.41 -1.26 -4.77 113.62 116.62 2hi6 n SER 65 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 2hi6 n SER 65 Cb 0.00 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.00 0.00 -0.29 7.33 0.18 -1.26 -2.83 117.16 120.28 2hi6 n TYR 66 Ca 0.00 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.74 2hi6 n TYR 66 Cb 0.00 -0.48 0.07 0.00 -0.38 0.00 0.00 39.34 38.56 2hi6 n TYR 66 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 2hi6 h VAL 67 N 0.00 1.22 -0.03 -3.48 2.07 -1.95 -2.03 116.25 112.05 2hi6 h VAL 67 Ca 0.00 -0.46 -0.16 0.00 0.82 0.00 0.00 66.70 66.90 2hi6 h VAL 67 Cb 0.25 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2hi6 h VAL 67 CO 0.00 0.22 -0.69 0.25 0.02 0.00 0.00 177.57 177.37 2hi6 h LEU 68 N 1.09 0.21 -1.63 2.57 7.12 -1.80 -3.11 115.31 119.75 2hi6 h LEU 68 Ca 0.29 -0.14 -0.01 0.00 0.13 0.00 0.00 57.88 58.15 2hi6 h LEU 68 Cb -0.06 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 39.99 2hi6 h LEU 68 CO -0.06 0.83 0.08 0.25 -0.13 0.00 0.00 178.44 179.42 2hi6 h LEU 69 N 0.12 0.28 -0.69 2.25 5.85 -1.50 -2.28 115.31 119.35 2hi6 h LEU 69 Ca -0.02 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.77 2hi6 h LEU 69 Cb 1.23 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.12 2hi6 h LEU 69 CO 0.10 0.27 0.34 -1.13 -0.34 0.00 0.00 178.44 177.69 2hi6 h ASN 70 N 0.32 0.45 -0.22 1.25 -0.73 -1.34 -1.49 115.58 113.81 2hi6 h ASN 70 Ca 0.08 0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.29 2hi6 h ASN 70 Cb 0.09 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 2hi6 h ASN 70 CO -0.01 0.26 0.09 -0.07 -0.37 0.00 0.00 177.43 177.33 2hi6 h LEU 71 N 0.59 0.36 -0.46 0.34 3.38 -1.56 -2.15 115.31 115.81 2hi6 h LEU 71 Ca 0.33 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 58.10 2hi6 h LEU 71 Cb 0.34 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2hi6 h LEU 71 CO -0.26 0.35 -0.63 -0.09 0.09 0.00 0.00 178.44 177.91 2hi6 h ARG 72 N 0.40 0.51 -0.11 1.13 2.43 -1.32 -0.31 114.38 117.10 2hi6 h ARG 72 Ca 0.10 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 2hi6 h ARG 72 Cb 0.13 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2hi6 h ARG 72 CO -0.01 0.98 0.00 0.87 -1.51 0.00 0.00 179.97 180.30 2hi6 h LYS 73 N 0.37 0.15 0.00 0.20 1.57 -0.87 -1.89 116.57 116.10 2hi6 h LYS 73 Ca -0.01 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 2hi6 h LYS 73 Cb 1.19 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 2hi6 h LYS 73 CO 0.11 0.17 -1.66 -1.71 -0.57 0.00 0.00 179.45 175.80 2hi6 n ASN 74 N -4.44 0.56 0.00 0.86 5.15 -1.18 -4.99 115.26 111.22 2hi6 n ASN 74 Ca -0.01 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 2hi6 n ASN 74 Cb 0.14 0.63 0.00 0.00 -0.53 0.00 0.00 39.78 40.03 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 1.42 1.31 0.74 8.20 0.00 -0.35 -4.97 105.19 111.54 2hi6 n GLY 75 Ca -0.12 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 0.46 -1.87 1.61 0.24 -0.28 -4.71 118.33 111.78 2hi6 n VAL 76 Ca 0.00 -0.73 -0.31 0.00 -2.04 0.00 0.00 64.34 61.26 2hi6 n VAL 76 Cb 0.10 0.95 0.01 0.00 -1.47 0.00 0.00 33.84 33.43 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 -1.15 3.01 0.95 2.33 0.00 -1.11 -3.65 121.76 122.13 2hi6 s ALA 77 Ca 0.24 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 2hi6 s ALA 77 Cb 0.15 -3.10 0.16 0.00 0.00 0.00 0.00 23.12 20.32 2hi6 s ALA 77 CO 0.20 -0.75 1.11 -1.25 0.00 0.00 0.00 175.76 175.08 2hi6 s PRO 78 N -5.03 0.77 0.11 0.00 0.04 -1.22 -1.18 135.00 128.50 2hi6 s PRO 78 Ca 0.56 1.29 0.10 0.00 0.04 0.00 0.00 61.00 63.00 2hi6 s PRO 78 Cb -0.12 -1.72 -0.16 0.00 0.04 0.00 0.00 34.50 32.55 2hi6 s PRO 78 CO 0.52 -2.72 1.15 0.87 0.04 0.00 0.00 177.00 176.86 2hi6 h LYS 79 N -1.92 0.00 -2.32 4.56 1.57 -1.24 -3.42 116.57 113.80 2hi6 h LYS 79 Ca -0.48 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.45 2hi6 h LYS 79 Cb 1.28 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.47 2hi6 h LYS 79 CO 0.46 0.76 0.48 0.00 -0.57 0.00 0.00 179.45 180.58 2hi6 s ALA 80 N -2.75 -1.73 -0.19 3.86 0.00 -1.23 -4.61 121.76 115.10 2hi6 s ALA 80 Ca 0.00 0.54 -0.07 0.00 0.00 0.00 0.00 51.96 52.43 2hi6 s ALA 80 Cb 0.09 0.54 0.09 0.00 0.00 0.00 0.00 23.12 23.84 2hi6 s ALA 80 CO 0.81 -0.88 0.42 -1.50 0.00 0.00 0.00 175.76 174.61 2hi6 s ILE 81 N -3.22 -0.57 -0.24 0.00 2.07 -1.22 -0.69 121.20 117.34 2hi6 s ILE 81 Ca 0.09 0.16 -0.05 0.00 -1.41 0.00 0.00 60.65 59.44 2hi6 s ILE 81 Cb -0.01 -0.66 -0.01 0.00 0.13 0.00 0.00 42.46 41.91 2hi6 s ILE 81 CO -0.03 0.07 0.00 -0.63 -1.91 0.00 0.00 174.94 172.44 2hi6 s ILE 82 N 2.46 3.65 0.36 2.00 -1.09 -0.92 -3.92 121.20 123.73 2hi6 s ILE 82 Ca -0.03 -0.48 0.09 0.00 -2.23 0.00 0.00 60.65 58.00 2hi6 s ILE 82 Cb -0.12 -2.72 -0.06 0.00 -1.58 0.00 0.00 42.46 37.98 2hi6 s ILE 82 CO -0.13 0.33 0.03 0.20 -1.23 0.00 0.00 174.94 174.14 2hi6 s ASN 83 N 1.50 4.15 -0.20 3.58 0.02 -0.94 -4.04 114.94 119.02 2hi6 s ASN 83 Ca 0.05 -1.05 0.15 0.00 -1.02 0.00 0.00 52.86 50.99 2hi6 s ASN 83 Cb -0.15 -0.50 -0.22 0.00 0.02 0.00 0.00 41.25 40.39 2hi6 s ASN 83 CO -0.01 -0.29 0.02 1.17 0.02 0.00 0.00 177.10 178.01 2hi6 n LYS 84 N -0.98 0.85 -4.34 -0.60 4.81 -0.83 -1.36 118.16 115.71 2hi6 n LYS 84 Ca -0.04 0.01 -0.32 0.00 -0.87 0.00 0.00 58.31 57.10 2hi6 n LYS 84 Cb 0.63 -1.49 -0.16 0.00 0.02 0.00 0.00 35.03 34.03 2hi6 n LYS 84 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2hi6 s LYS 85 N -2.46 2.81 0.18 1.64 2.20 -0.66 -4.81 119.74 118.63 2hi6 s LYS 85 Ca -0.13 -0.77 0.07 0.00 -0.36 0.00 0.00 55.97 54.78 2hi6 s LYS 85 Cb 0.06 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.96 2hi6 s LYS 85 CO 0.75 -0.13 -0.14 0.95 -0.36 0.00 0.00 175.35 176.42 2hi6 s THR 86 N 1.12 1.59 0.21 3.43 -4.23 -1.26 -4.80 115.64 111.69 2hi6 s THR 86 Ca -0.01 -2.09 0.10 0.00 -1.18 0.00 0.00 61.69 58.51 2hi6 s THR 86 Cb -0.14 -1.92 -0.05 0.00 1.34 0.00 0.00 72.50 71.74 2hi6 s THR 86 CO -0.07 -0.57 -0.18 -1.61 -0.54 0.00 0.00 174.62 171.64 2hi6 s GLU 87 N -3.44 1.42 0.18 3.99 2.02 -1.26 -5.05 118.70 116.56 2hi6 s GLU 87 Ca 0.19 -1.57 -0.13 0.00 0.02 0.00 0.00 54.97 53.48 2hi6 s GLU 87 Cb -0.01 -1.44 0.08 0.00 0.10 0.00 0.00 34.13 32.86 2hi6 s GLU 87 CO 0.05 0.28 1.84 1.15 0.02 0.00 0.00 175.26 178.60 2hi6 h THR 88 N 2.80 1.15 0.00 3.63 2.02 -2.01 -2.06 112.91 118.44 2hi6 h THR 88 Ca -0.41 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 2hi6 h THR 88 Cb 1.22 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2hi6 h THR 88 CO 0.56 0.15 -0.19 0.16 0.37 0.00 0.00 175.52 176.56 2hi6 h ILE 89 N 0.78 1.13 -0.41 3.11 3.07 -1.97 -0.24 117.51 122.98 2hi6 h ILE 89 Ca 0.21 -0.66 -0.08 0.00 1.55 0.00 0.00 64.86 65.88 2hi6 h ILE 89 Cb -0.08 1.36 -0.01 0.00 -0.27 0.00 0.00 36.82 37.81 2hi6 h ILE 89 CO -0.04 0.19 -0.06 0.40 -1.05 0.00 0.00 178.15 177.58 2hi6 h ILE 90 N 0.00 1.27 -0.19 0.16 2.04 -1.74 -1.62 117.51 117.44 2hi6 h ILE 90 Ca -0.00 -1.13 -0.07 0.00 1.00 0.00 0.00 64.86 64.66 2hi6 h ILE 90 Cb 0.34 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2hi6 h ILE 90 CO 0.03 0.38 -0.20 0.00 0.00 0.00 0.00 178.15 178.35 2hi6 h ALA 91 N 0.86 1.31 -0.01 1.87 0.00 -0.59 0.66 119.26 123.37 2hi6 h ALA 91 Ca 0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2hi6 h ALA 91 Cb 0.57 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2hi6 h ALA 91 CO 0.03 0.46 -0.00 0.28 0.00 0.00 0.00 179.25 180.03 2hi6 h VAL 92 N 0.30 1.27 -0.47 0.00 2.07 -0.90 -0.90 116.25 117.62 2hi6 h VAL 92 Ca 0.05 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 2hi6 h VAL 92 Cb 0.53 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2hi6 h VAL 92 CO 0.04 0.21 0.18 1.23 0.02 0.00 0.00 177.57 179.24 2hi6 h GLY 93 N -0.32 0.76 1.31 2.17 0.00 -1.07 -2.54 103.07 103.39 2hi6 h GLY 93 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 2hi6 h GLY 93 CO 0.00 0.39 0.11 0.00 0.00 0.00 0.00 176.54 177.05 2hi6 h ALA 94 N 1.03 1.16 -0.61 3.60 0.00 -0.89 -0.82 119.26 122.73 2hi6 h ALA 94 Ca 0.16 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2hi6 h ALA 94 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2hi6 h ALA 94 CO -0.01 0.56 0.17 0.00 0.00 0.00 0.00 179.25 179.97 2hi6 h ALA 95 N 1.30 0.80 -0.02 0.00 0.00 -0.95 0.27 119.26 120.67 2hi6 h ALA 95 Ca 0.18 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 2hi6 h ALA 95 Cb 0.33 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2hi6 h ALA 95 CO 0.00 0.49 -0.77 0.52 0.00 0.00 0.00 179.25 179.49 2hi6 h MET 96 N 0.88 0.16 -0.00 0.00 2.86 -1.22 -2.60 114.93 115.00 2hi6 h MET 96 Ca 0.19 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2hi6 h MET 96 Cb 0.32 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2hi6 h MET 96 CO -0.00 0.85 -0.01 0.00 1.06 0.00 0.00 176.91 178.81 2hi6 n ALA 97 N -2.45 2.66 -3.52 6.32 0.00 -0.33 -4.91 120.51 118.28 2hi6 n ALA 97 Ca -0.03 -0.24 -0.25 0.00 0.00 0.00 0.00 53.44 52.92 2hi6 n ALA 97 Cb 0.73 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.81 -6.20 -3.68 0.00 1.02 0.02 -4.95 120.64 106.05 2hi6 n GLU 98 Ca 0.22 0.76 -0.38 0.00 -0.02 0.00 0.00 57.16 57.74 2hi6 n GLU 98 Cb 0.17 -5.70 -0.09 0.00 -0.02 0.00 0.00 31.44 25.80 2hi6 n GLU 98 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2hi6 s ILE 99 N -3.25 3.91 -0.49 -3.67 1.01 0.76 -5.00 121.20 114.47 2hi6 s ILE 99 Ca 0.52 -2.86 -0.45 0.00 0.00 0.00 0.00 60.65 57.86 2hi6 s ILE 99 Cb -0.24 -3.53 -0.19 0.00 0.01 0.00 0.00 42.46 38.50 2hi6 s ILE 99 CO 0.65 -0.89 1.84 -2.65 0.00 0.00 0.00 174.94 173.90 2hi6 n PRO 100 N 3.60 0.07 -3.87 2.79 -0.02 -1.26 -4.57 135.00 131.74 2hi6 n PRO 100 Ca 0.08 0.02 -0.36 0.00 -2.02 0.00 0.00 63.50 61.23 2hi6 n PRO 100 Cb 0.39 -1.55 -0.13 0.00 -0.02 0.00 0.00 33.50 32.19 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 4.37 3.18 0.08 2.45 1.98 -1.26 -3.36 118.68 126.12 2hi6 s LEU 101 Ca 1.11 -0.28 -0.02 0.00 -2.89 0.00 0.00 54.13 52.05 2hi6 s LEU 101 Cb -1.47 -1.83 -0.04 0.00 0.66 0.00 0.00 46.19 43.51 2hi6 s LEU 101 CO 0.74 -0.01 0.02 0.68 -1.89 0.00 0.00 176.35 175.88 2hi6 s VAL 102 N 1.47 0.17 -0.17 1.68 -7.23 -1.25 -2.15 120.40 112.92 2hi6 s VAL 102 Ca 0.05 -1.80 -0.08 0.00 -1.81 0.00 0.00 61.98 58.34 2hi6 s VAL 102 Cb -0.15 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 2hi6 s VAL 102 CO 0.00 -0.80 0.11 -1.61 -0.31 0.00 0.00 175.10 172.50 2hi6 s GLU 103 N -3.96 3.89 -0.06 4.82 2.02 -0.95 -2.21 118.70 122.25 2hi6 s GLU 103 Ca 0.13 -0.24 -0.11 0.00 0.02 0.00 0.00 54.97 54.77 2hi6 s GLU 103 Cb 0.08 -3.28 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 2hi6 s GLU 103 CO -0.06 0.43 0.28 0.14 0.02 0.00 0.00 175.26 176.07 2hi6 s VAL 104 N -0.05 5.26 -0.27 2.63 -7.23 -0.46 -1.51 120.40 118.76 2hi6 s VAL 104 Ca 0.09 0.54 -0.09 0.00 -1.81 0.00 0.00 61.98 60.71 2hi6 s VAL 104 Cb -0.12 -3.57 -0.14 0.00 0.56 0.00 0.00 36.38 33.12 2hi6 s VAL 104 CO 0.00 0.59 -0.32 0.54 -0.31 0.00 0.00 175.10 175.61 2hi6 n ARG 105 N 1.95 0.61 -3.51 4.82 1.74 -1.26 -4.58 116.66 116.43 2hi6 n ARG 105 Ca -0.17 0.23 -0.34 0.00 -0.77 0.00 0.00 57.85 56.80 2hi6 n ARG 105 Cb 0.54 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.42 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 -7.19 6.66 0.48 0.55 -1.08 -1.26 -4.97 116.67 109.86 2hi6 s ASP 106 Ca -0.38 0.86 0.31 0.00 -0.52 0.00 0.00 52.55 52.82 2hi6 s ASP 106 Cb 0.13 -2.20 1.21 0.00 -1.46 0.00 0.00 42.92 40.59 2hi6 s ASP 106 CO 0.53 0.10 1.90 -0.08 0.52 0.00 0.00 175.17 178.13 2hi6 h GLU 107 N 3.37 0.00 -0.65 4.34 4.57 -2.03 -3.12 114.58 121.06 2hi6 h GLU 107 Ca -0.48 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 57.83 2hi6 h GLU 107 Cb 1.19 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.74 2hi6 h GLU 107 CO 0.67 0.00 0.44 0.87 -1.18 0.00 0.00 179.01 179.82 2hi6 h LYS 108 N 0.00 0.31 -0.87 1.92 1.57 -2.00 -1.25 116.57 116.24 2hi6 h LYS 108 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2hi6 h LYS 108 Cb 0.52 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 2hi6 h LYS 108 CO 0.00 0.20 0.50 0.35 -0.57 0.00 0.00 179.45 179.93 2hi6 h PHE 109 N 0.32 1.18 -0.04 -1.35 3.57 -1.97 0.69 116.94 119.34 2hi6 h PHE 109 Ca 0.31 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.68 2hi6 h PHE 109 Cb 0.78 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2hi6 h PHE 109 CO -0.00 0.80 -0.49 0.74 -2.23 0.00 0.00 178.31 177.13 2hi6 h PHE 110 N 1.21 0.13 0.06 0.41 0.04 -1.45 -1.79 116.94 115.55 2hi6 h PHE 110 Ca 0.31 -0.04 -0.13 0.00 2.80 0.00 0.00 57.97 60.90 2hi6 h PHE 110 Cb -0.00 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.13 2hi6 h PHE 110 CO 0.00 0.58 -0.56 1.49 -0.60 0.00 0.00 178.31 179.22 2hi6 h GLU 111 N 0.09 0.28 -0.45 1.51 4.81 -1.32 -3.36 114.58 116.13 2hi6 h GLU 111 Ca 0.00 -0.38 -0.10 0.00 -0.13 0.00 0.00 59.36 58.76 2hi6 h GLU 111 Cb 0.90 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2hi6 h GLU 111 CO 0.07 1.12 -0.10 0.00 -0.73 0.00 0.00 179.01 179.36 2hi6 h ALA 112 N 0.18 0.97 -2.45 2.92 0.00 -0.77 -3.42 119.26 116.69 2hi6 h ALA 112 Ca -0.09 -0.32 -0.54 0.00 0.00 0.00 0.00 54.91 53.97 2hi6 h ALA 112 Cb 1.36 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2hi6 h ALA 112 CO 0.11 0.61 0.55 0.54 0.00 0.00 0.00 179.25 181.06 2hi6 s VAL 113 N -4.81 4.18 0.04 0.00 0.11 -0.68 -5.03 120.40 114.21 2hi6 s VAL 113 Ca -0.10 1.56 0.09 0.00 -2.93 0.00 0.00 61.98 60.60 2hi6 s VAL 113 Cb 0.14 -4.00 -0.03 0.00 -1.53 0.00 0.00 36.38 30.96 2hi6 s VAL 113 CO 0.83 0.10 -0.24 -0.54 -3.33 0.00 0.00 175.10 171.92 2hi6 s LYS 114 N 1.23 1.91 -0.26 1.54 -0.14 -1.26 -4.93 119.74 117.82 2hi6 s LYS 114 Ca 0.57 -1.06 -0.28 0.00 -1.36 0.00 0.00 55.97 53.84 2hi6 s LYS 114 Cb -0.28 -2.04 -0.03 0.00 -1.68 0.00 0.00 37.83 33.80 2hi6 s LYS 114 CO 0.28 0.53 1.95 0.99 -0.76 0.00 0.00 175.35 178.34 2hi6 s THR 115 N -0.82 3.30 0.00 2.17 2.01 -1.26 -1.95 115.64 119.09 2hi6 s THR 115 Ca 0.12 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.43 2hi6 s THR 115 Cb -0.10 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.03 2hi6 s THR 115 CO 0.03 -0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.34 2hi6 n GLY 116 N 5.44 1.14 3.95 4.40 0.00 -0.91 -4.99 105.19 114.22 2hi6 n GLY 116 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.22 4.68 -0.19 1.61 1.01 -0.82 -4.82 116.67 116.93 2hi6 s ASP 117 Ca 0.00 0.23 -0.01 0.00 0.71 0.00 0.00 52.55 53.48 2hi6 s ASP 117 Cb 0.00 -0.83 0.00 0.00 1.01 0.00 0.00 42.92 43.10 2hi6 s ASP 117 CO 0.00 -1.65 -0.12 -0.60 0.21 0.00 0.00 175.17 173.01 2hi6 s ARG 118 N -5.20 3.22 -0.14 8.23 3.52 -1.19 0.09 118.95 127.48 2hi6 s ARG 118 Ca 0.62 -0.72 -0.02 0.00 -0.13 0.00 0.00 55.73 55.48 2hi6 s ARG 118 Cb -0.09 -2.75 -0.02 0.00 -1.56 0.00 0.00 34.95 30.52 2hi6 s ARG 118 CO 0.44 -0.12 -0.09 0.54 -0.81 0.00 0.00 175.30 175.26 2hi6 s VAL 119 N 1.19 3.41 -0.40 7.11 0.11 -0.95 -0.50 120.40 130.37 2hi6 s VAL 119 Ca 0.02 -0.53 -0.15 0.00 -2.93 0.00 0.00 61.98 58.38 2hi6 s VAL 119 Cb -0.14 -2.46 0.01 0.00 -1.53 0.00 0.00 36.38 32.26 2hi6 s VAL 119 CO -0.05 0.51 0.32 -0.69 -3.33 0.00 0.00 175.10 171.86 2hi6 s VAL 120 N 0.34 5.23 -0.33 2.04 1.01 0.07 -2.67 120.40 126.08 2hi6 s VAL 120 Ca -0.08 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 2hi6 s VAL 120 Cb -0.15 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 2hi6 s VAL 120 CO 0.05 -0.27 0.20 0.54 0.00 0.00 0.00 175.10 175.61 2hi6 s VAL 121 N 1.80 4.93 -0.71 2.92 0.11 0.81 -2.35 120.40 127.91 2hi6 s VAL 121 Ca 0.07 -0.34 -0.15 0.00 -2.93 0.00 0.00 61.98 58.63 2hi6 s VAL 121 Cb -0.18 -3.53 0.18 0.00 -1.53 0.00 0.00 36.38 31.32 2hi6 s VAL 121 CO 0.11 0.02 0.66 0.21 -3.33 0.00 0.00 175.10 172.76 2hi6 s ASN 122 N 1.66 6.53 0.37 3.54 3.84 0.98 -1.69 114.94 130.18 2hi6 s ASN 122 Ca 0.05 -2.32 0.23 0.00 0.21 0.00 0.00 52.86 51.03 2hi6 s ASN 122 Cb -0.17 -2.21 0.28 0.00 -0.55 0.00 0.00 41.25 38.60 2hi6 s ASN 122 CO 0.08 -0.69 1.49 0.00 -2.79 0.00 0.00 177.10 175.19 2hi6 h ALA 123 N 8.24 0.88 -0.76 1.71 0.00 -0.61 0.30 119.26 129.03 2hi6 h ALA 123 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2hi6 h ALA 123 Cb 1.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2hi6 h ALA 123 CO 0.87 0.00 0.32 0.22 0.00 0.00 0.00 179.25 180.66 2hi6 h ASP 124 N 0.00 1.01 0.00 0.00 3.58 -1.67 -3.25 116.42 116.09 2hi6 h ASP 124 Ca 0.00 -0.14 -0.19 0.00 0.42 0.00 0.00 57.03 57.12 2hi6 h ASP 124 Cb 0.98 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.74 2hi6 h ASP 124 CO 0.00 0.89 -1.82 -0.62 -2.88 0.00 0.00 179.24 174.80 2hi6 n GLU 125 N -4.30 1.63 -0.38 0.28 -0.58 -1.24 -4.95 120.64 111.10 2hi6 n GLU 125 Ca 0.07 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 2hi6 n GLU 125 Cb 0.17 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 2hi6 n GLU 125 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hi6 n GLY 126 N 2.12 0.75 2.93 0.62 0.00 0.31 -4.58 105.19 107.33 2hi6 n GLY 126 Ca -0.17 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.25 -0.24 -0.15 1.61 5.04 0.80 -1.54 117.35 120.60 2hi6 s TYR 127 Ca 0.00 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.30 2hi6 s TYR 127 Cb 0.00 -0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.22 2hi6 s TYR 127 CO 0.00 -0.25 -0.11 0.14 -1.34 0.00 0.00 175.55 173.99 2hi6 s VAL 128 N 1.84 1.40 -0.15 3.14 -7.23 -0.61 -0.01 120.40 118.78 2hi6 s VAL 128 Ca -0.03 -0.64 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 2hi6 s VAL 128 Cb -0.12 -1.41 0.01 0.00 0.56 0.00 0.00 36.38 35.43 2hi6 s VAL 128 CO -0.07 0.33 -0.20 -1.83 -0.31 0.00 0.00 175.10 173.02 2hi6 s GLU 129 N 1.54 2.85 -0.26 4.82 -1.05 -0.99 -1.55 118.70 124.06 2hi6 s GLU 129 Ca 0.03 -0.79 -0.09 0.00 -0.15 0.00 0.00 54.97 53.98 2hi6 s GLU 129 Cb -0.14 -2.37 -0.04 0.00 -0.44 0.00 0.00 34.13 31.14 2hi6 s GLU 129 CO -0.09 -0.09 0.11 -1.17 0.95 0.00 0.00 175.26 174.97 2hi6 s LEU 130 N 1.01 3.67 -0.20 1.83 2.96 -1.03 -0.75 118.68 126.16 2hi6 s LEU 130 Ca -0.03 -0.12 -0.21 0.00 -0.22 0.00 0.00 54.13 53.56 2hi6 s LEU 130 Cb -0.15 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2hi6 s LEU 130 CO -0.05 -0.03 0.62 -0.63 -1.32 0.00 0.00 176.35 174.94 2hi6 s ILE 131 N 1.59 5.03 -2.00 6.68 1.09 0.35 -3.76 121.20 130.18 2hi6 s ILE 131 Ca 0.06 1.16 0.23 0.00 -1.10 0.00 0.00 60.65 61.00 2hi6 s ILE 131 Cb -0.15 -3.93 0.65 0.00 -1.06 0.00 0.00 42.46 37.97 2hi6 s ILE 131 CO 0.06 0.11 1.74 -0.62 -0.10 0.00 0.00 174.94 176.14