#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 0.30 0.10 7.34 0.00 -1.26 -2.49 119.74 123.73 2hi6 s LYS 2 Ca 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 55.97 55.88 2hi6 s LYS 2 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 37.83 37.52 2hi6 s LYS 2 CO 0.00 0.08 -0.18 -0.06 0.00 0.00 0.00 175.35 175.19 2hi6 s PHE 3 N -0.15 1.55 -0.22 1.78 0.08 0.43 -5.01 117.98 116.44 2hi6 s PHE 3 Ca 0.01 -0.45 -0.11 0.00 0.12 0.00 0.00 56.93 56.49 2hi6 s PHE 3 Cb -0.02 -0.84 -0.05 0.00 -0.57 0.00 0.00 43.02 41.54 2hi6 s PHE 3 CO -0.00 0.16 0.19 0.00 -0.10 0.00 0.00 175.22 175.47 2hi6 s ALA 4 N -1.41 3.62 0.44 5.36 0.00 -1.26 -0.86 121.76 127.66 2hi6 s ALA 4 Ca 0.05 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.31 2hi6 s ALA 4 Cb -0.09 -2.33 -0.05 0.00 0.00 0.00 0.00 23.12 20.65 2hi6 s ALA 4 CO 0.04 -0.07 0.01 0.00 0.00 0.00 0.00 175.76 175.74 2hi6 s ARG 6 N -3.78 4.08 -0.75 0.00 6.06 0.12 -4.47 118.95 120.22 2hi6 s ARG 6 Ca 0.24 0.19 -0.23 0.00 -2.50 0.00 0.00 55.73 53.44 2hi6 s ARG 6 Cb 0.07 -3.62 0.07 0.00 0.06 0.00 0.00 34.95 31.53 2hi6 s ARG 6 CO 0.12 -0.24 1.08 0.00 -2.50 0.00 0.00 175.30 173.76 2hi6 s ALA 7 N 1.94 3.07 -0.09 6.12 0.00 -1.26 -1.03 121.76 130.52 2hi6 s ALA 7 Ca 0.18 -1.98 -0.20 0.00 0.00 0.00 0.00 51.96 49.96 2hi6 s ALA 7 Cb -0.15 -4.01 -0.29 0.00 0.00 0.00 0.00 23.12 18.67 2hi6 s ALA 7 CO 0.09 -2.96 0.73 0.82 0.00 0.00 0.00 175.76 174.44 2hi6 h ILE 8 N 6.02 1.34 -1.29 0.00 5.03 -1.89 -3.48 117.51 123.25 2hi6 h ILE 8 Ca -0.17 -2.45 -0.48 0.00 -0.12 0.00 0.00 64.86 61.64 2hi6 h ILE 8 Cb 1.05 3.00 -0.01 0.00 -3.03 0.00 0.00 36.82 37.83 2hi6 h ILE 8 CO 1.20 0.68 -0.30 -0.89 -0.68 0.00 0.00 178.15 178.16 2hi6 s THR 9 N -2.42 2.58 0.51 -0.27 2.01 -0.96 -5.05 115.64 112.04 2hi6 s THR 9 Ca -0.17 -1.22 0.05 0.00 0.31 0.00 0.00 61.69 60.67 2hi6 s THR 9 Cb 0.02 -2.79 0.02 0.00 0.01 0.00 0.00 72.50 69.76 2hi6 s THR 9 CO 0.78 0.00 0.34 -0.13 -0.69 0.00 0.00 174.62 174.92 2hi6 s ARG 10 N -4.28 2.27 0.00 4.92 0.52 -1.26 -4.61 118.95 116.50 2hi6 s ARG 10 Ca 0.50 -2.00 0.00 0.00 -0.52 0.00 0.00 55.73 53.72 2hi6 s ARG 10 Cb -0.05 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.36 2hi6 s ARG 10 CO 0.30 -0.50 0.00 0.41 0.02 0.00 0.00 175.30 175.53 2hi6 n GLY 11 N -1.64 0.76 3.22 -3.53 0.00 -1.26 -4.03 105.19 98.71 2hi6 n GLY 11 Ca -0.03 -2.32 -0.04 0.00 0.00 0.00 0.00 46.02 43.64 2hi6 n GLY 11 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hi6 s ARG 12 N -0.82 0.44 0.16 1.61 3.52 -1.26 -0.95 118.95 121.65 2hi6 s ARG 12 Ca 0.00 0.98 0.08 0.00 -0.13 0.00 0.00 55.73 56.66 2hi6 s ARG 12 Cb 0.00 0.28 -0.04 0.00 -1.56 0.00 0.00 34.95 33.63 2hi6 s ARG 12 CO 0.00 -0.44 -0.16 0.00 -0.81 0.00 0.00 175.30 173.89 2hi6 s ALA 13 N 2.72 1.86 -0.07 6.12 0.00 0.37 -4.98 121.76 127.78 2hi6 s ALA 13 Ca 0.07 -1.48 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 2hi6 s ALA 13 Cb -0.14 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.89 2hi6 s ALA 13 CO -0.17 0.15 0.00 -2.00 0.00 0.00 0.00 175.76 173.74 2hi6 s GLU 14 N -3.00 0.56 0.08 0.00 -6.30 -1.26 -0.46 118.70 108.32 2hi6 s GLU 14 Ca 0.16 0.11 -0.26 0.00 -2.50 0.00 0.00 54.97 52.48 2hi6 s GLU 14 Cb -0.04 -0.91 0.08 0.00 0.00 0.00 0.00 34.13 33.26 2hi6 s GLU 14 CO 0.06 -0.29 0.83 0.20 0.02 0.00 0.00 175.26 176.08 2hi6 s GLY 15 N 1.89 -0.43 0.35 -1.50 0.00 -0.93 -4.93 107.32 101.76 2hi6 s GLY 15 Ca 0.04 0.66 -0.28 0.00 0.00 0.00 0.00 44.72 45.14 2hi6 s GLY 15 CO -0.05 0.21 1.27 1.85 0.00 0.00 0.00 173.10 176.39 2hi6 s GLU 16 N -3.33 4.27 -0.10 2.90 2.12 -1.26 -0.77 118.70 122.53 2hi6 s GLU 16 Ca 0.06 2.13 -0.29 0.00 0.36 0.00 0.00 54.97 57.23 2hi6 s GLU 16 Cb -0.01 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.38 2hi6 s GLU 16 CO -0.07 -0.22 0.97 0.00 -0.54 0.00 0.00 175.26 175.39 2hi6 s ALA 17 N -1.20 3.39 -0.32 6.30 0.00 0.15 0.07 121.76 130.17 2hi6 s ALA 17 Ca 0.51 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.76 2hi6 s ALA 17 Cb -0.38 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.41 2hi6 s ALA 17 CO 0.50 -0.55 0.05 -1.17 0.00 0.00 0.00 175.76 174.58 2hi6 s LEU 18 N 1.88 4.07 -0.39 0.00 0.20 0.73 -1.96 118.68 123.22 2hi6 s LEU 18 Ca 0.47 -1.16 -0.13 0.00 0.69 0.00 0.00 54.13 54.00 2hi6 s LEU 18 Cb -0.18 -1.79 0.02 0.00 -0.43 0.00 0.00 46.19 43.81 2hi6 s LEU 18 CO 0.18 -0.28 0.24 -0.69 -0.29 0.00 0.00 176.35 175.51 2hi6 s VAL 19 N 1.34 4.84 -0.37 1.68 1.01 -1.26 -0.77 120.40 126.87 2hi6 s VAL 19 Ca -0.03 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 2hi6 s VAL 19 Cb -0.19 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2hi6 s VAL 19 CO 0.01 -0.26 0.29 0.42 0.00 0.00 0.00 175.10 175.56 2hi6 s THR 20 N 1.60 5.25 -2.57 3.92 -4.23 -0.41 -4.82 115.64 114.38 2hi6 s THR 20 Ca 0.03 -0.36 0.26 0.00 -1.18 0.00 0.00 61.69 60.44 2hi6 s THR 20 Cb -0.19 -3.83 0.46 0.00 1.34 0.00 0.00 72.50 70.28 2hi6 s THR 20 CO 0.08 -0.16 1.61 2.29 -0.54 0.00 0.00 174.62 177.90 2hi6 n LYS 21 N 5.20 1.84 -0.65 3.99 2.85 -1.26 -4.37 118.16 125.76 2hi6 n LYS 21 Ca -0.11 -1.22 -0.10 0.00 -1.05 0.00 0.00 58.31 55.82 2hi6 n LYS 21 Cb 0.48 -1.47 0.07 0.00 -0.65 0.00 0.00 35.03 33.47 2hi6 n LYS 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2hi6 n GLU 22 N 0.48 -0.50 -3.95 -1.58 4.71 -1.26 -5.05 120.64 113.48 2hi6 n GLU 22 Ca 0.18 -0.71 -0.30 0.00 -0.01 0.00 0.00 57.16 56.32 2hi6 n GLU 22 Cb 0.41 -0.48 -0.14 0.00 -1.01 0.00 0.00 31.44 30.22 2hi6 n GLU 22 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2hi6 s TYR 23 N -1.99 3.27 0.02 -0.32 2.02 -1.26 -4.78 117.35 114.31 2hi6 s TYR 23 Ca 0.26 -3.02 0.01 0.00 -0.37 0.00 0.00 57.07 53.95 2hi6 s TYR 23 Cb -0.01 -2.77 -0.04 0.00 -0.40 0.00 0.00 41.96 38.75 2hi6 s TYR 23 CO 0.18 -0.82 0.04 0.42 -1.57 0.00 0.00 175.55 173.80 2hi6 s ILE 24 N 0.24 4.43 0.18 2.71 1.01 -1.22 -4.07 121.20 124.47 2hi6 s ILE 24 Ca 0.15 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.24 2hi6 s ILE 24 Cb -0.23 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 2hi6 s ILE 24 CO -0.04 0.30 -0.06 -0.55 0.00 0.00 0.00 174.94 174.59 2hi6 s SER 25 N -1.85 1.75 -0.14 3.58 0.15 -1.26 -3.52 113.70 112.42 2hi6 s SER 25 Ca 0.23 -1.10 0.04 0.00 0.70 0.00 0.00 55.95 55.83 2hi6 s SER 25 Cb -0.12 0.01 0.32 0.00 -1.71 0.00 0.00 66.02 64.52 2hi6 s SER 25 CO 0.15 -0.41 1.17 0.49 1.20 0.00 0.00 173.24 175.83 2hi6 n PHE 26 N -0.28 1.05 0.51 3.44 3.72 -1.26 -2.62 117.46 122.03 2hi6 n PHE 26 Ca -0.08 -0.60 0.12 0.00 -0.05 0.00 0.00 57.45 56.84 2hi6 n PHE 26 Cb 0.62 -0.38 0.45 0.00 -0.94 0.00 0.00 39.48 39.23 2hi6 n PHE 26 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 2hi6 n LEU 27 N 0.09 0.74 0.00 4.37 -0.00 -1.26 -1.99 117.00 118.95 2hi6 n LEU 27 Ca 0.17 0.62 0.00 0.00 -0.00 0.00 0.00 56.01 56.80 2hi6 n LEU 27 Cb 0.79 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 2hi6 n LEU 27 CO 0.18 -0.37 0.00 0.61 -0.00 0.00 0.00 177.39 177.81 2hi6 n GLY 28 N 0.65 -0.23 0.13 1.47 0.00 -1.22 -4.89 105.19 101.11 2hi6 n GLY 28 Ca 0.04 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 2hi6 n GLY 28 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hi6 h GLY 29 N 0.00 0.30 -4.34 -0.02 0.00 -1.81 -3.46 103.07 93.74 2hi6 h GLY 29 Ca 0.00 -0.76 -0.58 0.00 0.00 0.00 0.00 47.33 45.99 2hi6 h GLY 29 CO 0.00 0.67 -0.22 -0.42 0.00 0.00 0.00 176.54 176.57 2hi6 s ILE 30 N -2.52 5.05 0.29 2.60 1.09 -1.26 0.47 121.20 126.92 2hi6 s ILE 30 Ca -0.21 0.44 -0.29 0.00 -1.10 0.00 0.00 60.65 59.49 2hi6 s ILE 30 Cb 0.06 -3.65 -0.10 0.00 -1.06 0.00 0.00 42.46 37.71 2hi6 s ILE 30 CO 0.77 0.20 1.22 -0.62 -0.10 0.00 0.00 174.94 176.41 2hi6 s ASP 31 N -1.93 7.00 0.02 3.58 2.15 0.11 -4.82 116.67 122.78 2hi6 s ASP 31 Ca 0.37 2.47 0.28 0.00 0.43 0.00 0.00 52.55 56.10 2hi6 s ASP 31 Cb -0.13 -2.63 1.18 0.00 -0.30 0.00 0.00 42.92 41.04 2hi6 s ASP 31 CO 0.20 -0.37 1.90 2.29 -0.17 0.00 0.00 175.17 179.02 2hi6 n LYS 32 N 1.28 0.03 0.00 4.34 2.85 -1.26 -2.31 118.16 123.09 2hi6 n LYS 32 Ca 0.01 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 2hi6 n LYS 32 Cb 0.43 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 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 -1.58 0.00 0.07 -1.58 1.02 -1.26 -4.62 120.64 112.69 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 0.35 -0.95 -0.02 0.00 -0.02 0.00 0.00 31.44 30.80 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 -2.46 0.41 -1.01 2.62 -2.24 -1.26 -4.92 114.28 105.41 2hi6 n THR 34 Ca 0.00 -0.47 -0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2hi6 n THR 34 Cb 0.47 -0.17 -0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.24 0.44 3.74 3.38 0.00 -0.98 -4.86 105.19 108.15 2hi6 n GLY 35 Ca -0.00 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.86 4.94 0.12 -0.61 -1.09 -1.26 -1.58 121.20 119.86 2hi6 s ILE 36 Ca 0.00 1.42 -0.31 0.00 -2.23 0.00 0.00 60.65 59.53 2hi6 s ILE 36 Cb 0.00 -4.02 -0.08 0.00 -1.58 0.00 0.00 42.46 36.78 2hi6 s ILE 36 CO 0.00 0.32 1.44 0.68 -1.23 0.00 0.00 174.94 176.16 2hi6 s VAL 37 N 0.33 3.16 -0.01 2.92 -7.23 -1.15 0.10 120.40 118.51 2hi6 s VAL 37 Ca 0.36 0.81 -0.06 0.00 -1.81 0.00 0.00 61.98 61.28 2hi6 s VAL 37 Cb -0.18 -3.52 -0.29 0.00 0.56 0.00 0.00 36.38 32.95 2hi6 s VAL 37 CO 0.19 0.06 0.80 0.11 -0.31 0.00 0.00 175.10 175.94 2hi6 h LYS 38 N 6.93 0.30 -4.47 4.82 1.79 -0.30 -3.40 116.57 122.24 2hi6 h LYS 38 Ca -0.42 -0.52 -0.74 0.00 -2.18 0.00 0.00 60.65 56.80 2hi6 h LYS 38 Cb 1.21 0.19 -0.21 0.00 -1.58 0.00 0.00 32.23 31.83 2hi6 h LYS 38 CO 0.88 1.18 0.46 -2.00 -1.08 0.00 0.00 179.45 178.89 2hi6 s GLU 39 N -2.60 3.57 0.00 3.15 2.56 -1.06 -4.93 118.70 119.38 2hi6 s GLU 39 Ca -0.11 -2.05 0.00 0.00 0.00 0.00 0.00 54.97 52.81 2hi6 s GLU 39 Cb 0.06 -4.66 0.00 0.00 2.00 0.00 0.00 34.13 31.53 2hi6 s GLU 39 CO 0.86 -1.54 0.00 -3.47 -0.56 0.00 0.00 175.26 170.54 2hi6 n ASP 40 N 5.38 0.00 0.00 -1.70 -0.08 -1.26 -4.78 116.55 114.11 2hi6 n ASP 40 Ca 0.17 -0.45 0.00 0.00 -1.51 0.00 0.00 54.79 53.01 2hi6 n ASP 40 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 2hi6 n ASP 40 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hi6 n GLU 42 N -1.30 0.48 -0.32 0.00 2.13 -1.26 -4.65 120.64 115.73 2hi6 n GLU 42 Ca 0.00 0.20 0.07 0.00 0.66 0.00 0.00 57.16 58.09 2hi6 n GLU 42 Cb 0.00 -1.31 0.21 0.00 0.27 0.00 0.00 31.44 30.60 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 -3.86 1.75 -1.62 6.31 -5.35 -1.26 -5.01 119.36 110.31 2hi6 n ILE 43 Ca -0.43 -1.54 -0.51 0.00 -0.27 0.00 0.00 62.75 60.00 2hi6 n ILE 43 Cb 0.83 0.05 -0.06 0.00 -1.74 0.00 0.00 39.64 38.72 2hi6 n ILE 43 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2hi6 n LYS 44 N -0.16 1.44 0.00 6.28 4.81 -1.26 -2.48 118.16 126.79 2hi6 n LYS 44 Ca 0.17 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 2hi6 n LYS 44 Cb 0.69 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.53 2hi6 n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hi6 n GLY 45 N 2.94 1.35 3.86 3.14 0.00 -1.26 -5.02 105.19 110.21 2hi6 n GLY 45 Ca 0.19 0.00 -0.35 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 -0.01 3.80 0.07 1.61 0.41 -1.03 -4.95 118.70 118.60 2hi6 s GLU 46 Ca 0.00 0.24 -0.04 0.00 -0.41 0.00 0.00 54.97 54.76 2hi6 s GLU 46 Cb 0.00 -2.97 -0.05 0.00 -1.78 0.00 0.00 34.13 29.33 2hi6 s GLU 46 CO 0.00 0.54 0.28 0.45 -0.49 0.00 0.00 175.26 176.04 2hi6 s SER 47 N -1.77 6.44 0.00 -0.19 0.15 -1.26 -2.95 113.70 114.12 2hi6 s SER 47 Ca 0.34 0.47 0.25 0.00 0.70 0.00 0.00 55.95 57.71 2hi6 s SER 47 Cb -0.14 -2.04 1.10 0.00 -1.71 0.00 0.00 66.02 63.22 2hi6 s SER 47 CO 0.18 0.15 1.75 1.33 1.20 0.00 0.00 173.24 177.86 2hi6 n VAL 48 N 0.46 0.07 -1.92 4.45 0.24 -0.61 -4.81 118.33 116.22 2hi6 n VAL 48 Ca -0.06 -0.21 -0.27 0.00 -2.04 0.00 0.00 64.34 61.77 2hi6 n VAL 48 Cb 0.52 0.18 -0.05 0.00 -1.47 0.00 0.00 33.84 33.02 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 -1.93 1.56 0.00 2.33 0.00 -1.24 -2.37 121.76 120.11 2hi6 s ALA 49 Ca 0.36 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2hi6 s ALA 49 Cb 0.19 -4.50 0.00 0.00 0.00 0.00 0.00 23.12 18.81 2hi6 s ALA 49 CO 0.30 -4.85 0.00 0.41 0.00 0.00 0.00 175.76 171.62 2hi6 n GLY 50 N 6.58 0.97 3.67 0.00 0.00 -1.10 -4.97 105.19 110.35 2hi6 n GLY 50 Ca 0.38 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 2hi6 n GLY 50 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hi6 s ARG 51 N -0.60 2.10 -0.16 1.61 1.70 -1.00 -4.30 118.95 118.31 2hi6 s ARG 51 Ca 0.00 -2.33 -0.04 0.00 -0.47 0.00 0.00 55.73 52.89 2hi6 s ARG 51 Cb 0.00 -1.20 -0.03 0.00 -0.57 0.00 0.00 34.95 33.15 2hi6 s ARG 51 CO 0.00 -0.40 -0.02 0.42 -1.08 0.00 0.00 175.30 174.22 2hi6 s ILE 52 N -2.99 4.05 -0.23 4.99 1.01 0.11 -0.22 121.20 127.93 2hi6 s ILE 52 Ca 0.12 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.33 2hi6 s ILE 52 Cb 0.02 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 2hi6 s ILE 52 CO 0.07 0.49 0.33 -0.22 0.00 0.00 0.00 174.94 175.61 2hi6 s LEU 53 N 0.35 4.12 -0.25 2.97 2.96 0.11 -0.20 118.68 128.74 2hi6 s LEU 53 Ca -0.03 0.36 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2hi6 s LEU 53 Cb -0.14 -2.39 0.06 0.00 0.50 0.00 0.00 46.19 44.23 2hi6 s LEU 53 CO 0.02 -0.07 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.24 2hi6 s VAL 54 N 1.43 1.75 0.02 1.68 1.01 0.05 -1.62 120.40 124.72 2hi6 s VAL 54 Ca 0.15 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 60.71 2hi6 s VAL 54 Cb -0.15 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 2hi6 s VAL 54 CO 0.08 -0.14 -0.08 0.72 0.00 0.00 0.00 175.10 175.67 2hi6 s PHE 55 N 1.28 0.72 0.10 5.22 -0.71 -1.20 -1.28 117.98 122.10 2hi6 s PHE 55 Ca -0.05 -0.29 -0.11 0.00 -1.04 0.00 0.00 56.93 55.45 2hi6 s PHE 55 Cb -0.19 -0.44 -0.16 0.00 -1.21 0.00 0.00 43.02 41.02 2hi6 s PHE 55 CO -0.07 -0.03 1.27 -1.35 -1.34 0.00 0.00 175.22 173.71 2hi6 h PRO 56 N 5.27 0.66 0.00 1.99 0.11 -1.86 -3.33 132.00 134.84 2hi6 h PRO 56 Ca -0.33 -0.63 0.00 0.00 0.11 0.00 0.00 66.00 65.15 2hi6 h PRO 56 Cb 1.19 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2hi6 h PRO 56 CO 0.46 1.24 0.00 0.41 -0.21 0.00 0.00 178.00 179.89 2hi6 n GLY 57 N 0.88 0.92 0.00 -0.55 0.00 -1.26 -3.33 105.19 101.85 2hi6 n GLY 57 Ca -0.08 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 1.91 3.76 -0.02 0.00 -1.23 -3.44 105.19 106.18 2hi6 n GLY 58 Ca 0.00 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 4.41 2.34 0.16 1.61 -0.14 -1.24 -4.80 119.74 122.07 2hi6 s LYS 59 Ca 0.00 1.26 0.13 0.00 -1.36 0.00 0.00 55.97 55.99 2hi6 s LYS 59 Cb 0.00 -1.90 -0.09 0.00 -1.68 0.00 0.00 37.83 34.16 2hi6 s LYS 59 CO 0.00 -1.59 1.19 0.78 -0.76 0.00 0.00 175.35 174.97 2hi6 h GLY 60 N -0.85 0.00 -6.73 -3.33 0.00 -1.98 -3.39 103.07 86.80 2hi6 h GLY 60 Ca -0.44 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.24 2hi6 h GLY 60 CO 0.52 0.00 2.48 1.44 0.00 0.00 0.00 176.54 180.97 2hi6 n SER 61 N -3.18 3.72 -1.80 0.19 7.64 -1.26 -4.78 113.62 114.15 2hi6 n SER 61 Ca -0.03 -2.81 -0.10 0.00 1.01 0.00 0.00 58.87 56.95 2hi6 n SER 61 Cb 0.85 -1.57 -0.03 0.00 -1.01 0.00 0.00 64.21 62.46 2hi6 n SER 61 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2hi6 n THR 62 N 5.94 2.53 -4.66 0.44 5.66 -1.26 -4.43 114.28 118.50 2hi6 n THR 62 Ca 0.50 -1.25 -0.33 0.00 -3.05 0.00 0.00 64.05 59.91 2hi6 n THR 62 Cb 0.42 -1.56 -0.14 0.00 -1.55 0.00 0.00 70.33 67.51 2hi6 n THR 62 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2hi6 s VAL 63 N -0.67 3.33 0.00 1.08 1.01 -1.26 -4.78 120.40 119.11 2hi6 s VAL 63 Ca 0.27 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2hi6 s VAL 63 Cb 0.17 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 34.13 2hi6 s VAL 63 CO -0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2hi6 n GLY 64 N 3.45 0.18 7.00 4.51 0.00 -1.26 -4.08 105.19 114.98 2hi6 n GLY 64 Ca -0.18 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2hi6 n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2hi6 n SER 65 N 0.00 -2.07 0.00 1.61 2.88 -0.84 -4.78 113.62 110.41 2hi6 n SER 65 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2hi6 n SER 65 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2hi6 n SER 65 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2hi6 n TYR 66 N -0.13 0.00 0.05 0.66 4.02 -1.26 -4.66 117.16 115.84 2hi6 n TYR 66 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.03 2hi6 n TYR 66 Cb 0.00 0.00 0.62 0.00 -0.02 0.00 0.00 39.34 39.94 2hi6 n TYR 66 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 2hi6 h VAL 67 N 0.00 0.86 -0.96 -0.72 -1.51 -1.89 -0.70 116.25 111.33 2hi6 h VAL 67 Ca 0.00 -0.04 0.03 0.00 -1.23 0.00 0.00 66.70 65.45 2hi6 h VAL 67 Cb 0.00 0.72 -0.05 0.00 -2.13 0.00 0.00 31.29 29.83 2hi6 h VAL 67 CO 0.00 0.02 0.63 -0.07 -1.23 0.00 0.00 177.57 176.92 2hi6 h LEU 68 N 0.13 1.06 -0.42 4.19 -0.00 -1.84 0.31 115.31 118.75 2hi6 h LEU 68 Ca 0.19 -0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 58.02 2hi6 h LEU 68 Cb 0.57 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 2hi6 h LEU 68 CO -0.02 0.74 0.15 0.25 -0.00 0.00 0.00 178.44 179.56 2hi6 h LEU 69 N 1.24 0.59 -0.37 1.67 5.85 -1.33 -0.57 115.31 122.39 2hi6 h LEU 69 Ca 0.37 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2hi6 h LEU 69 Cb -0.05 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 2hi6 h LEU 69 CO -0.11 0.62 0.19 -1.13 -0.34 0.00 0.00 178.44 177.67 2hi6 h ASN 70 N 0.53 0.48 -0.97 1.25 -1.24 -1.25 -0.96 115.58 113.42 2hi6 h ASN 70 Ca 0.14 -0.11 0.02 0.00 0.71 0.00 0.00 56.30 57.06 2hi6 h ASN 70 Cb 0.22 -0.12 -0.05 0.00 0.73 0.00 0.00 38.32 39.10 2hi6 h ASN 70 CO -0.01 0.46 0.64 -0.07 -1.29 0.00 0.00 177.43 177.16 2hi6 h LEU 71 N 0.47 1.09 -0.58 0.34 3.38 -0.77 -2.05 115.31 117.18 2hi6 h LEU 71 Ca 0.13 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 2hi6 h LEU 71 Cb 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2hi6 h LEU 71 CO -0.02 0.77 -0.35 -0.09 0.09 0.00 0.00 178.44 178.84 2hi6 h ARG 72 N 1.28 0.75 0.00 1.13 1.12 -0.57 0.14 114.38 118.22 2hi6 h ARG 72 Ca 0.37 -0.36 -0.08 0.00 -1.11 0.00 0.00 59.98 58.80 2hi6 h ARG 72 Cb -0.08 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.87 2hi6 h ARG 72 CO -0.10 0.98 -0.37 0.87 -3.11 0.00 0.00 179.97 178.25 2hi6 h LYS 73 N 0.63 0.00 0.00 0.20 1.79 -0.86 -2.80 116.57 115.53 2hi6 h LYS 73 Ca 0.06 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.48 2hi6 h LYS 73 Cb 0.88 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.53 2hi6 h LYS 73 CO 0.08 0.37 -0.91 -0.97 -1.08 0.00 0.00 179.45 176.94 2hi6 h ASN 74 N 0.00 0.00 0.00 0.86 -1.24 -1.00 -3.48 115.58 110.73 2hi6 h ASN 74 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2hi6 h ASN 74 Cb 0.78 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.83 2hi6 h ASN 74 CO 0.05 0.19 0.00 0.61 -1.29 0.00 0.00 177.43 176.99 2hi6 n GLY 75 N 1.23 0.77 0.43 1.57 0.00 0.06 -4.97 105.19 104.28 2hi6 n GLY 75 Ca -0.02 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.40 2.10 -3.50 1.61 0.24 0.25 -4.78 118.33 111.85 2hi6 n VAL 76 Ca 0.00 -2.60 -0.24 0.00 -2.04 0.00 0.00 64.34 59.46 2hi6 n VAL 76 Cb 0.01 -0.25 -0.02 0.00 -1.47 0.00 0.00 33.84 32.11 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 -3.03 3.74 0.50 2.33 0.00 -1.06 -3.71 121.76 120.53 2hi6 s ALA 77 Ca 0.36 -0.94 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 2hi6 s ALA 77 Cb 0.33 -2.04 -0.08 0.00 0.00 0.00 0.00 23.12 21.33 2hi6 s ALA 77 CO -0.00 0.07 1.02 -1.25 0.00 0.00 0.00 175.76 175.60 2hi6 s PRO 78 N -4.15 3.79 0.21 0.00 0.04 -1.10 -2.71 135.00 131.09 2hi6 s PRO 78 Ca 0.39 1.22 0.07 0.00 0.04 0.00 0.00 61.00 62.72 2hi6 s PRO 78 Cb -0.10 -2.10 0.14 0.00 0.04 0.00 0.00 34.50 32.48 2hi6 s PRO 78 CO 0.34 -0.42 1.48 0.87 0.04 0.00 0.00 177.00 179.31 2hi6 h LYS 79 N 1.28 0.07 -3.07 4.56 1.57 -0.79 -3.47 116.57 116.73 2hi6 h LYS 79 Ca -0.48 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.22 2hi6 h LYS 79 Cb 1.21 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 33.42 2hi6 h LYS 79 CO 0.59 0.79 0.17 0.00 -0.57 0.00 0.00 179.45 180.44 2hi6 s ALA 80 N -3.34 -1.42 -0.02 3.86 0.00 -1.25 -4.01 121.76 115.57 2hi6 s ALA 80 Ca -0.01 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2hi6 s ALA 80 Cb 0.11 0.86 0.03 0.00 0.00 0.00 0.00 23.12 24.12 2hi6 s ALA 80 CO 0.79 -0.80 0.02 0.42 0.00 0.00 0.00 175.76 176.20 2hi6 s ILE 81 N -3.79 0.01 -0.15 0.00 1.01 -0.51 -0.71 121.20 117.06 2hi6 s ILE 81 Ca 0.03 0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.87 2hi6 s ILE 81 Cb -0.01 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.32 2hi6 s ILE 81 CO -0.09 0.11 -0.16 -0.63 0.00 0.00 0.00 174.94 174.16 2hi6 s ILE 82 N 1.08 2.55 0.30 2.92 -1.09 -0.64 -2.29 121.20 124.04 2hi6 s ILE 82 Ca -0.09 -0.81 0.11 0.00 -2.23 0.00 0.00 60.65 57.63 2hi6 s ILE 82 Cb -0.13 -2.07 -0.06 0.00 -1.58 0.00 0.00 42.46 38.62 2hi6 s ILE 82 CO -0.03 0.52 -0.16 0.20 -1.23 0.00 0.00 174.94 174.24 2hi6 s ASN 83 N 0.85 3.61 -0.17 3.58 0.02 -0.12 -3.24 114.94 119.47 2hi6 s ASN 83 Ca -0.05 -1.09 0.01 0.00 -1.02 0.00 0.00 52.86 50.71 2hi6 s ASN 83 Cb -0.15 -0.31 -0.22 0.00 0.02 0.00 0.00 41.25 40.58 2hi6 s ASN 83 CO -0.01 -0.05 0.16 1.17 0.02 0.00 0.00 177.10 178.38 2hi6 n LYS 84 N -0.68 0.70 -3.80 -0.60 3.00 -1.25 -0.39 118.16 115.14 2hi6 n LYS 84 Ca -0.05 0.20 -0.26 0.00 -0.00 0.00 0.00 58.31 58.20 2hi6 n LYS 84 Cb 0.61 -1.63 -0.17 0.00 0.00 0.00 0.00 35.03 33.84 2hi6 n LYS 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2hi6 s LYS 85 N -2.54 0.91 0.44 1.64 2.20 -1.21 -4.73 119.74 116.44 2hi6 s LYS 85 Ca -0.24 -0.22 0.07 0.00 -0.36 0.00 0.00 55.97 55.22 2hi6 s LYS 85 Cb 0.08 -1.60 -0.01 0.00 -1.51 0.00 0.00 37.83 34.78 2hi6 s LYS 85 CO 0.72 -0.43 0.40 -0.08 -0.36 0.00 0.00 175.35 175.61 2hi6 s THR 86 N 1.83 2.50 0.08 3.43 -1.32 -1.26 -4.81 115.64 116.09 2hi6 s THR 86 Ca 0.02 -1.35 0.01 0.00 -1.21 0.00 0.00 61.69 59.16 2hi6 s THR 86 Cb -0.14 -2.85 -0.04 0.00 -1.51 0.00 0.00 72.50 67.96 2hi6 s THR 86 CO -0.07 0.00 -0.05 -0.70 -2.21 0.00 0.00 174.62 171.59 2hi6 s GLU 87 N -4.17 0.74 0.19 7.08 -6.30 -1.26 -5.04 118.70 109.94 2hi6 s GLU 87 Ca 0.47 -1.28 -0.13 0.00 -2.50 0.00 0.00 54.97 51.53 2hi6 s GLU 87 Cb -0.03 -0.05 0.21 0.00 0.00 0.00 0.00 34.13 34.27 2hi6 s GLU 87 CO 0.28 -0.05 1.70 1.15 0.02 0.00 0.00 175.26 178.35 2hi6 h THR 88 N 3.06 0.66 0.00 -1.70 2.02 -1.99 -0.41 112.91 114.55 2hi6 h THR 88 Ca -0.35 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 2hi6 h THR 88 Cb 1.16 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2hi6 h THR 88 CO 0.65 0.03 -0.13 0.16 0.37 0.00 0.00 175.52 176.60 2hi6 h ILE 89 N 0.19 0.98 0.02 3.11 -0.00 -1.97 -1.12 117.51 118.72 2hi6 h ILE 89 Ca 0.26 -0.46 -0.00 0.00 -0.00 0.00 0.00 64.86 64.66 2hi6 h ILE 89 Cb 0.38 1.26 0.00 0.00 -0.00 0.00 0.00 36.82 38.46 2hi6 h ILE 89 CO -0.38 0.13 -0.01 0.40 -0.00 0.00 0.00 178.15 178.29 2hi6 h ILE 90 N 0.00 1.46 -0.17 0.16 2.04 -1.49 -1.59 117.51 117.91 2hi6 h ILE 90 Ca -0.00 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.17 2hi6 h ILE 90 Cb 0.25 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 2hi6 h ILE 90 CO 0.02 0.42 0.11 0.00 0.00 0.00 0.00 178.15 178.70 2hi6 h ALA 91 N 0.12 0.22 -0.54 1.87 0.00 -0.95 -0.00 119.26 119.97 2hi6 h ALA 91 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2hi6 h ALA 91 Cb 0.71 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2hi6 h ALA 91 CO 0.01 -0.31 0.25 0.28 0.00 0.00 0.00 179.25 179.47 2hi6 h VAL 92 N 0.22 1.21 -0.62 0.00 2.07 -1.32 -0.58 116.25 117.23 2hi6 h VAL 92 Ca 0.06 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 2hi6 h VAL 92 Cb -0.02 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2hi6 h VAL 92 CO -0.02 0.24 0.20 1.23 0.02 0.00 0.00 177.57 179.23 2hi6 h GLY 93 N 0.73 1.04 1.13 2.17 0.00 -0.96 -2.35 103.07 104.84 2hi6 h GLY 93 Ca 0.18 -0.62 -0.19 0.00 0.00 0.00 0.00 47.33 46.71 2hi6 h GLY 93 CO -0.02 0.58 -0.56 0.00 0.00 0.00 0.00 176.54 176.53 2hi6 h ALA 94 N 1.07 0.42 -0.89 3.60 0.00 -0.87 -3.21 119.26 119.38 2hi6 h ALA 94 Ca 0.20 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.60 2hi6 h ALA 94 Cb 0.29 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2hi6 h ALA 94 CO -0.01 0.65 0.59 0.00 0.00 0.00 0.00 179.25 180.49 2hi6 h ALA 95 N 0.65 1.13 -0.11 0.00 0.00 -0.95 0.25 119.26 120.23 2hi6 h ALA 95 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2hi6 h ALA 95 Cb 1.18 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2hi6 h ALA 95 CO 0.12 0.54 -0.18 0.52 0.00 0.00 0.00 179.25 180.25 2hi6 h MET 96 N 1.21 0.18 -0.39 0.00 2.86 -1.44 -2.67 114.93 114.68 2hi6 h MET 96 Ca 0.33 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2hi6 h MET 96 Cb -0.14 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.50 2hi6 h MET 96 CO -0.07 0.36 0.00 0.00 1.06 0.00 0.00 176.91 178.26 2hi6 n ALA 97 N -2.49 2.42 -3.16 6.32 0.00 -0.91 -4.95 120.51 117.75 2hi6 n ALA 97 Ca -0.01 -1.00 -0.14 0.00 0.00 0.00 0.00 53.44 52.29 2hi6 n ALA 97 Cb 0.29 -0.88 0.07 0.00 0.00 0.00 0.00 19.45 18.94 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 1.52 -4.72 -3.69 0.00 2.13 -0.70 -4.93 120.64 110.24 2hi6 n GLU 98 Ca 0.20 0.72 -0.37 0.00 0.66 0.00 0.00 57.16 58.37 2hi6 n GLU 98 Cb 0.61 -5.31 -0.09 0.00 0.27 0.00 0.00 31.44 26.92 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 -3.31 3.88 -0.58 6.31 -1.09 0.79 -4.95 121.20 122.25 2hi6 s ILE 99 Ca 0.09 -3.01 -0.34 0.00 -2.23 0.00 0.00 60.65 55.17 2hi6 s ILE 99 Cb -0.01 -3.51 -0.15 0.00 -1.58 0.00 0.00 42.46 37.21 2hi6 s ILE 99 CO 0.62 -0.90 2.36 -2.65 -1.23 0.00 0.00 174.94 173.14 2hi6 n PRO 100 N 3.42 0.61 -5.01 2.79 -0.02 -1.26 -4.50 135.00 131.03 2hi6 n PRO 100 Ca 0.09 0.11 -0.30 0.00 -2.02 0.00 0.00 63.50 61.39 2hi6 n PRO 100 Cb 0.38 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.47 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 8.48 1.95 0.18 2.45 0.20 -1.25 -1.42 118.68 129.26 2hi6 s LEU 101 Ca 1.16 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 55.53 2hi6 s LEU 101 Cb -0.94 -1.22 -0.05 0.00 -0.43 0.00 0.00 46.19 43.55 2hi6 s LEU 101 CO 0.47 0.12 0.01 0.68 -0.29 0.00 0.00 176.35 177.34 2hi6 s VAL 102 N 0.45 0.68 -0.31 1.68 -7.23 -0.97 -2.27 120.40 112.43 2hi6 s VAL 102 Ca -0.18 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 57.96 2hi6 s VAL 102 Cb -0.17 -2.15 0.03 0.00 0.56 0.00 0.00 36.38 34.64 2hi6 s VAL 102 CO 0.07 -0.44 0.06 -0.70 -0.31 0.00 0.00 175.10 173.78 2hi6 s GLU 103 N -3.92 2.81 -0.22 4.82 -6.30 -0.20 -0.94 118.70 114.75 2hi6 s GLU 103 Ca 0.25 -1.04 -0.18 0.00 -2.50 0.00 0.00 54.97 51.50 2hi6 s GLU 103 Cb 0.06 -3.34 -0.03 0.00 0.00 0.00 0.00 34.13 30.82 2hi6 s GLU 103 CO 0.05 -0.54 0.51 0.54 0.02 0.00 0.00 175.26 175.84 2hi6 s VAL 104 N 1.42 5.10 -2.28 3.70 0.11 0.48 0.15 120.40 129.06 2hi6 s VAL 104 Ca -0.00 0.92 0.20 0.00 -2.93 0.00 0.00 61.98 60.17 2hi6 s VAL 104 Cb -0.18 -3.83 0.44 0.00 -1.53 0.00 0.00 36.38 31.28 2hi6 s VAL 104 CO 0.01 0.15 1.45 -2.11 -3.33 0.00 0.00 175.10 171.28 2hi6 n ARG 105 N 5.01 2.12 -4.16 1.54 1.85 -1.26 -4.58 116.66 117.19 2hi6 n ARG 105 Ca -0.05 -1.70 -0.35 0.00 -1.00 0.00 0.00 57.85 54.76 2hi6 n ARG 105 Cb 0.50 -1.44 -0.12 0.00 -1.05 0.00 0.00 32.46 30.35 2hi6 n ARG 105 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2hi6 s ASP 106 N -1.40 4.81 0.23 2.89 -1.08 -1.26 -4.99 116.67 115.88 2hi6 s ASP 106 Ca 0.35 -0.18 0.03 0.00 -0.52 0.00 0.00 52.55 52.22 2hi6 s ASP 106 Cb 0.19 -1.81 0.23 0.00 -1.46 0.00 0.00 42.92 40.07 2hi6 s ASP 106 CO 0.27 0.09 1.56 -0.08 0.52 0.00 0.00 175.17 177.53 2hi6 h GLU 107 N 7.28 0.32 0.00 4.34 4.81 -2.02 -3.09 114.58 126.23 2hi6 h GLU 107 Ca -0.35 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 58.66 2hi6 h GLU 107 Cb 1.18 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 2hi6 h GLU 107 CO 0.62 0.81 -0.05 0.87 -0.73 0.00 0.00 179.01 180.52 2hi6 h LYS 108 N 0.24 0.00 -0.26 1.92 1.79 -1.99 -2.01 116.57 116.26 2hi6 h LYS 108 Ca -0.00 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 2hi6 h LYS 108 Cb 1.08 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.70 2hi6 h LYS 108 CO 0.09 0.05 0.02 0.35 -1.08 0.00 0.00 179.45 178.89 2hi6 h PHE 109 N 0.00 0.03 0.00 -1.35 3.57 -1.97 0.39 116.94 117.61 2hi6 h PHE 109 Ca -0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 2hi6 h PHE 109 Cb 0.12 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2hi6 h PHE 109 CO 0.00 -0.01 -0.35 0.74 -2.23 0.00 0.00 178.31 176.46 2hi6 h PHE 110 N 0.11 0.00 0.10 0.41 0.04 -1.54 0.26 116.94 116.32 2hi6 h PHE 110 Ca 0.12 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.63 2hi6 h PHE 110 Cb 0.14 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.30 2hi6 h PHE 110 CO -0.18 0.35 -1.16 0.93 -0.60 0.00 0.00 178.31 177.65 2hi6 h GLU 111 N 0.00 0.37 0.00 1.51 5.08 -1.35 -3.34 114.58 116.85 2hi6 h GLU 111 Ca -0.00 -0.53 -0.21 0.00 -1.00 0.00 0.00 59.36 57.61 2hi6 h GLU 111 Cb 0.79 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 2hi6 h GLU 111 CO 0.05 1.22 -1.26 0.00 -1.00 0.00 0.00 179.01 178.01 2hi6 h ALA 112 N 0.57 0.62 -2.37 3.43 0.00 -0.57 -3.45 119.26 117.49 2hi6 h ALA 112 Ca -0.13 -1.01 -0.56 0.00 0.00 0.00 0.00 54.91 53.21 2hi6 h ALA 112 Cb 1.85 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 2hi6 h ALA 112 CO 0.20 1.19 0.43 0.54 0.00 0.00 0.00 179.25 181.61 2hi6 s VAL 113 N -2.76 4.85 0.18 0.00 0.11 0.05 -5.04 120.40 117.78 2hi6 s VAL 113 Ca -0.01 1.93 0.10 0.00 -2.93 0.00 0.00 61.98 61.07 2hi6 s VAL 113 Cb 0.09 -4.26 -0.04 0.00 -1.53 0.00 0.00 36.38 30.63 2hi6 s VAL 113 CO 0.81 0.08 -0.21 -0.54 -3.33 0.00 0.00 175.10 171.91 2hi6 s LYS 114 N 1.60 1.38 -0.75 1.54 -0.14 -1.26 -4.90 119.74 117.21 2hi6 s LYS 114 Ca 0.47 -1.46 -0.26 0.00 -1.36 0.00 0.00 55.97 53.37 2hi6 s LYS 114 Cb -0.19 -1.54 -0.05 0.00 -1.68 0.00 0.00 37.83 34.37 2hi6 s LYS 114 CO 0.20 0.32 2.01 0.99 -0.76 0.00 0.00 175.35 178.11 2hi6 s THR 115 N -1.89 3.33 0.00 2.17 2.01 -1.26 -2.38 115.64 117.62 2hi6 s THR 115 Ca 0.18 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.09 2hi6 s THR 115 Cb -0.07 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.66 2hi6 s THR 115 CO 0.08 -0.75 0.00 0.61 -0.69 0.00 0.00 174.62 173.87 2hi6 n GLY 116 N 6.35 0.92 3.72 4.40 0.00 -0.83 -4.97 105.19 114.78 2hi6 n GLY 116 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 3.04 -0.10 1.61 1.01 -1.00 -4.70 116.67 116.53 2hi6 s ASP 117 Ca 0.00 1.11 0.02 0.00 0.71 0.00 0.00 52.55 54.39 2hi6 s ASP 117 Cb 0.00 -1.75 -0.01 0.00 1.01 0.00 0.00 42.92 42.17 2hi6 s ASP 117 CO 0.00 -2.86 -0.17 -0.60 0.21 0.00 0.00 175.17 171.75 2hi6 s ARG 118 N -5.09 3.08 -0.07 8.23 3.00 -1.09 0.35 118.95 127.35 2hi6 s ARG 118 Ca 0.64 -0.75 0.01 0.00 -1.00 0.00 0.00 55.73 54.63 2hi6 s ARG 118 Cb -0.17 -2.47 -0.03 0.00 0.00 0.00 0.00 34.95 32.28 2hi6 s ARG 118 CO 0.56 0.30 -0.07 0.08 0.00 0.00 0.00 175.30 176.17 2hi6 s VAL 119 N 0.10 3.70 -0.31 7.11 1.01 0.05 -0.39 120.40 131.67 2hi6 s VAL 119 Ca -0.08 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 2hi6 s VAL 119 Cb -0.15 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.74 2hi6 s VAL 119 CO 0.05 0.60 0.07 -0.69 0.00 0.00 0.00 175.10 175.13 2hi6 s VAL 120 N -0.79 3.70 -0.33 2.92 1.01 0.59 -2.20 120.40 125.29 2hi6 s VAL 120 Ca 0.12 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 2hi6 s VAL 120 Cb -0.11 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 2hi6 s VAL 120 CO 0.01 -0.02 0.21 -0.69 0.00 0.00 0.00 175.10 174.61 2hi6 s VAL 121 N 1.42 4.98 -0.66 2.92 1.01 0.39 -1.08 120.40 129.38 2hi6 s VAL 121 Ca 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 2hi6 s VAL 121 Cb -0.18 -3.57 0.17 0.00 0.00 0.00 0.00 36.38 32.80 2hi6 s VAL 121 CO 0.02 -0.01 0.54 0.21 0.00 0.00 0.00 175.10 175.86 2hi6 s ASN 122 N 1.67 5.95 0.00 3.32 3.84 -0.00 -0.48 114.94 129.24 2hi6 s ASN 122 Ca 0.05 -2.54 0.26 0.00 0.21 0.00 0.00 52.86 50.85 2hi6 s ASN 122 Cb -0.17 -2.04 0.72 0.00 -0.55 0.00 0.00 41.25 39.21 2hi6 s ASN 122 CO 0.09 -0.54 1.54 0.00 -2.79 0.00 0.00 177.10 175.40 2hi6 n ALA 123 N 4.06 3.20 0.02 1.71 0.00 -0.12 -0.35 120.51 129.03 2hi6 n ALA 123 Ca 0.06 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 2hi6 n ALA 123 Cb 0.42 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 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 0.71 0.65 -0.01 0.00 3.58 -1.60 -3.30 116.42 116.45 2hi6 h ASP 124 Ca 0.00 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2hi6 h ASP 124 Cb 0.49 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2hi6 h ASP 124 CO 0.00 1.18 -0.16 -1.84 -2.88 0.00 0.00 179.24 175.54 2hi6 n GLU 125 N -3.88 2.00 -1.90 0.28 0.28 -1.25 -4.97 120.64 111.20 2hi6 n GLU 125 Ca -0.05 -0.60 -0.00 0.00 -0.16 0.00 0.00 57.16 56.35 2hi6 n GLU 125 Cb 0.72 -1.05 0.00 0.00 1.43 0.00 0.00 31.44 32.54 2hi6 n GLU 125 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2hi6 n GLY 126 N 0.80 -0.60 3.52 -1.84 0.00 -0.81 -4.89 105.19 101.37 2hi6 n GLY 126 Ca 0.04 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.73 -0.66 -0.09 1.61 5.04 0.53 -3.32 117.35 117.73 2hi6 s TYR 127 Ca 0.01 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.03 2hi6 s TYR 127 Cb -0.00 0.31 0.02 0.00 0.35 0.00 0.00 41.96 42.63 2hi6 s TYR 127 CO 0.20 -0.46 -0.07 0.54 -1.34 0.00 0.00 175.55 174.42 2hi6 s VAL 128 N -0.43 0.90 -0.25 3.14 0.11 -0.04 -0.82 120.40 123.00 2hi6 s VAL 128 Ca -0.06 -0.24 -0.06 0.00 -2.93 0.00 0.00 61.98 58.69 2hi6 s VAL 128 Cb -0.03 -0.91 -0.01 0.00 -1.53 0.00 0.00 36.38 33.90 2hi6 s VAL 128 CO 0.05 0.33 0.03 -1.61 -3.33 0.00 0.00 175.10 170.57 2hi6 s GLU 129 N 1.47 3.36 -0.35 1.54 2.02 -0.24 -0.42 118.70 126.07 2hi6 s GLU 129 Ca -0.00 -0.66 -0.18 0.00 0.02 0.00 0.00 54.97 54.14 2hi6 s GLU 129 Cb -0.13 -3.21 -0.00 0.00 0.10 0.00 0.00 34.13 30.89 2hi6 s GLU 129 CO -0.05 -0.27 0.52 -1.17 0.02 0.00 0.00 175.26 174.31 2hi6 s LEU 130 N 1.52 4.33 -0.41 1.80 2.96 -1.04 -0.30 118.68 127.54 2hi6 s LEU 130 Ca 0.05 0.01 -0.21 0.00 -0.22 0.00 0.00 54.13 53.76 2hi6 s LEU 130 Cb -0.15 -2.60 0.02 0.00 0.50 0.00 0.00 46.19 43.95 2hi6 s LEU 130 CO 0.00 -0.48 0.65 -0.63 -1.32 0.00 0.00 176.35 174.57 2hi6 s ILE 131 N 2.41 4.84 -2.00 6.68 -1.09 0.47 -4.22 121.20 128.30 2hi6 s ILE 131 Ca 0.19 0.30 0.25 0.00 -2.23 0.00 0.00 60.65 59.16 2hi6 s ILE 131 Cb -0.15 -4.16 0.71 0.00 -1.58 0.00 0.00 42.46 37.27 2hi6 s ILE 131 CO 0.13 -0.50 1.85 -0.62 -1.23 0.00 0.00 174.94 174.58