#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 1.39 0.34 7.34 1.02 -1.26 -1.50 119.74 127.06 2hi6 s LYS 2 Ca 0.00 -0.34 0.09 0.00 0.02 0.00 0.00 55.97 55.74 2hi6 s LYS 2 Cb 0.00 -1.73 -0.05 0.00 -0.52 0.00 0.00 37.83 35.53 2hi6 s LYS 2 CO 0.00 -0.35 0.03 -0.06 -0.92 0.00 0.00 175.35 174.05 2hi6 s PHE 3 N 1.70 2.58 -0.07 3.18 0.08 -0.52 -4.97 117.98 119.97 2hi6 s PHE 3 Ca 0.03 -0.42 0.05 0.00 0.12 0.00 0.00 56.93 56.70 2hi6 s PHE 3 Cb -0.14 -1.50 -0.02 0.00 -0.57 0.00 0.00 43.02 40.79 2hi6 s PHE 3 CO -0.08 0.46 -0.20 0.00 -0.10 0.00 0.00 175.22 175.30 2hi6 s ALA 4 N -2.50 2.37 0.37 5.36 0.00 -1.26 -0.27 121.76 125.84 2hi6 s ALA 4 Ca 0.35 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.37 2hi6 s ALA 4 Cb -0.01 -0.83 -0.07 0.00 0.00 0.00 0.00 23.12 22.21 2hi6 s ALA 4 CO 0.20 0.43 -0.01 0.00 0.00 0.00 0.00 175.76 176.39 2hi6 s ARG 6 N -3.72 3.14 -0.12 0.00 3.52 0.12 -4.42 118.95 117.47 2hi6 s ARG 6 Ca 0.34 -0.70 -0.29 0.00 -0.13 0.00 0.00 55.73 54.95 2hi6 s ARG 6 Cb 0.08 -3.99 -0.05 0.00 -1.56 0.00 0.00 34.95 29.44 2hi6 s ARG 6 CO 0.17 -0.95 1.69 0.00 -0.81 0.00 0.00 175.30 175.39 2hi6 s ALA 7 N 2.36 3.45 -0.15 6.12 0.00 -1.26 -0.09 121.76 132.19 2hi6 s ALA 7 Ca 0.15 0.78 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 2hi6 s ALA 7 Cb -0.17 -3.80 -0.05 0.00 0.00 0.00 0.00 23.12 19.10 2hi6 s ALA 7 CO 0.14 -1.67 -0.30 -0.89 0.00 0.00 0.00 175.76 173.04 2hi6 n ILE 8 N 5.93 1.38 -2.84 0.00 2.08 -1.16 -4.93 119.36 119.82 2hi6 n ILE 8 Ca 0.19 0.18 -0.20 0.00 0.56 0.00 0.00 62.75 63.47 2hi6 n ILE 8 Cb 0.44 -2.24 0.05 0.00 -0.75 0.00 0.00 39.64 37.14 2hi6 n ILE 8 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2hi6 s THR 9 N -2.72 2.46 0.31 1.39 2.01 0.26 -4.99 115.64 114.37 2hi6 s THR 9 Ca -0.25 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 60.97 2hi6 s THR 9 Cb 0.03 -2.63 -0.06 0.00 0.01 0.00 0.00 72.50 69.85 2hi6 s THR 9 CO 0.37 0.00 0.01 -0.13 -0.69 0.00 0.00 174.62 174.18 2hi6 s ARG 10 N -4.72 1.63 0.00 4.92 0.52 -1.26 -4.53 118.95 115.51 2hi6 s ARG 10 Ca 0.60 -1.88 0.00 0.00 -0.52 0.00 0.00 55.73 53.94 2hi6 s ARG 10 Cb -0.08 -1.04 0.00 0.00 0.52 0.00 0.00 34.95 34.35 2hi6 s ARG 10 CO 0.39 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 176.03 2hi6 n GLY 11 N -0.67 3.99 2.90 -3.53 0.00 -1.26 -4.01 105.19 102.62 2hi6 n GLY 11 Ca -0.04 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.00 1.50 0.01 1.61 0.52 -1.26 -1.53 118.95 116.80 2hi6 s ARG 12 Ca 0.00 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 2hi6 s ARG 12 Cb 0.00 -2.11 -0.01 0.00 0.52 0.00 0.00 34.95 33.35 2hi6 s ARG 12 CO 0.00 -0.45 -0.03 0.00 0.02 0.00 0.00 175.30 174.84 2hi6 s ALA 13 N 1.59 0.16 0.05 2.13 0.00 -1.06 -5.04 121.76 119.59 2hi6 s ALA 13 Ca -0.00 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.58 2hi6 s ALA 13 Cb -0.16 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 2hi6 s ALA 13 CO -0.08 -0.08 -0.10 -1.83 0.00 0.00 0.00 175.76 173.67 2hi6 s GLU 14 N -0.94 0.67 0.00 0.00 -1.05 -1.26 -1.10 118.70 115.02 2hi6 s GLU 14 Ca -0.09 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 53.97 2hi6 s GLU 14 Cb -0.06 -0.57 0.00 0.00 -0.44 0.00 0.00 34.13 33.06 2hi6 s GLU 14 CO -0.00 0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.74 2hi6 n GLY 15 N 1.64 -0.55 3.71 -3.83 0.00 -1.15 -4.99 105.19 100.03 2hi6 n GLY 15 Ca -0.21 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 2hi6 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hi6 s GLU 16 N -0.77 4.35 -0.30 1.61 2.02 -1.26 -2.16 118.70 122.20 2hi6 s GLU 16 Ca 0.00 1.99 -0.28 0.00 0.02 0.00 0.00 54.97 56.70 2hi6 s GLU 16 Cb 0.00 -3.29 0.01 0.00 0.10 0.00 0.00 34.13 30.95 2hi6 s GLU 16 CO 0.00 -0.40 1.02 0.00 0.02 0.00 0.00 175.26 175.91 2hi6 s ALA 17 N 1.15 3.54 -0.30 5.21 0.00 0.14 -0.42 121.76 131.08 2hi6 s ALA 17 Ca 0.63 -0.06 -0.09 0.00 0.00 0.00 0.00 51.96 52.44 2hi6 s ALA 17 Cb -0.35 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.18 2hi6 s ALA 17 CO 0.30 -1.35 0.13 -1.17 0.00 0.00 0.00 175.76 173.66 2hi6 s LEU 18 N 3.45 4.01 -0.40 0.00 2.96 0.97 -1.68 118.68 128.01 2hi6 s LEU 18 Ca 0.43 -0.58 -0.14 0.00 -0.22 0.00 0.00 54.13 53.61 2hi6 s LEU 18 Cb -0.13 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.62 2hi6 s LEU 18 CO 0.13 -0.19 0.28 0.54 -1.32 0.00 0.00 176.35 175.79 2hi6 s VAL 19 N 1.57 5.20 -0.76 1.68 0.11 -1.26 -2.14 120.40 124.80 2hi6 s VAL 19 Ca 0.04 -0.61 -0.08 0.00 -2.93 0.00 0.00 61.98 58.39 2hi6 s VAL 19 Cb -0.17 -3.87 0.20 0.00 -1.53 0.00 0.00 36.38 31.01 2hi6 s VAL 19 CO 0.05 -0.26 0.65 -0.89 -3.33 0.00 0.00 175.10 171.32 2hi6 s THR 20 N 1.67 4.75 -1.89 5.04 2.01 -0.91 -4.84 115.64 121.48 2hi6 s THR 20 Ca 0.05 -2.84 0.26 0.00 0.31 0.00 0.00 61.69 59.47 2hi6 s THR 20 Cb -0.19 -3.98 0.69 0.00 0.01 0.00 0.00 72.50 69.03 2hi6 s THR 20 CO 0.10 -0.98 1.91 2.29 -0.69 0.00 0.00 174.62 177.25 2hi6 n LYS 21 N 3.57 0.74 -3.14 4.92 2.85 -1.26 -4.31 118.16 121.53 2hi6 n LYS 21 Ca 0.13 0.01 -0.25 0.00 -1.05 0.00 0.00 58.31 57.15 2hi6 n LYS 21 Cb 0.42 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.29 2hi6 n LYS 21 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2hi6 s GLU 22 N -2.11 3.43 -0.36 -1.58 0.41 -1.26 -4.93 118.70 112.30 2hi6 s GLU 22 Ca 0.37 -0.23 -0.03 0.00 -0.41 0.00 0.00 54.97 54.67 2hi6 s GLU 22 Cb 0.18 -2.57 0.08 0.00 -1.78 0.00 0.00 34.13 30.03 2hi6 s GLU 22 CO 0.32 -0.00 0.13 1.52 -0.49 0.00 0.00 175.26 176.73 2hi6 s TYR 23 N -2.46 3.42 -0.20 1.61 1.13 -1.26 -4.73 117.35 114.86 2hi6 s TYR 23 Ca 0.43 -2.04 -0.10 0.00 -1.41 0.00 0.00 57.07 53.96 2hi6 s TYR 23 Cb -0.10 -2.71 -0.05 0.00 -1.10 0.00 0.00 41.96 38.00 2hi6 s TYR 23 CO 0.39 -0.87 0.12 0.42 -2.51 0.00 0.00 175.55 173.09 2hi6 s ILE 24 N 1.23 5.33 -0.08 -3.49 1.09 -1.26 -4.94 121.20 119.08 2hi6 s ILE 24 Ca 0.02 0.16 -0.30 0.00 -1.10 0.00 0.00 60.65 59.43 2hi6 s ILE 24 Cb -0.21 -3.42 -0.04 0.00 -1.06 0.00 0.00 42.46 37.72 2hi6 s ILE 24 CO -0.02 0.45 1.41 -0.94 -0.10 0.00 0.00 174.94 175.74 2hi6 s SER 25 N 0.33 6.84 -1.01 3.58 1.04 -1.26 -4.32 113.70 118.89 2hi6 s SER 25 Ca 0.07 1.98 -0.23 0.00 0.48 0.00 0.00 55.95 58.25 2hi6 s SER 25 Cb -0.11 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.44 2hi6 s SER 25 CO -0.02 -0.79 1.81 -0.36 0.98 0.00 0.00 173.24 174.87 2hi6 s PHE 26 N 3.27 2.08 0.05 5.02 0.08 -1.25 -4.35 117.98 122.88 2hi6 s PHE 26 Ca 0.63 0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.75 2hi6 s PHE 26 Cb -0.28 -4.25 0.00 0.00 -0.57 0.00 0.00 43.02 37.92 2hi6 s PHE 26 CO 0.23 -1.70 0.00 -0.11 -0.10 0.00 0.00 175.22 173.54 2hi6 n LEU 27 N 12.42 0.03 -4.22 -0.37 -0.00 -1.26 -3.69 117.00 119.91 2hi6 n LEU 27 Ca 0.40 0.08 -0.17 0.00 -0.00 0.00 0.00 56.01 56.32 2hi6 n LEU 27 Cb 0.48 0.04 -0.07 0.00 -0.00 0.00 0.00 43.42 43.87 2hi6 n LEU 27 CO 0.64 -0.56 -0.07 -0.83 -0.00 0.00 0.00 177.39 176.58 2hi6 s GLY 28 N -3.94 1.96 0.00 -3.96 0.00 -1.26 -4.86 107.32 95.27 2hi6 s GLY 28 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 42.86 2hi6 s GLY 28 CO 0.00 -1.33 0.00 0.61 0.00 0.00 0.00 173.10 172.38 2hi6 n GLY 29 N -0.55 2.77 3.68 0.20 0.00 -1.26 -4.81 105.19 105.22 2hi6 n GLY 29 Ca 0.05 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 2hi6 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hi6 s ILE 30 N 0.00 3.62 0.25 -0.61 1.01 -1.26 -0.31 121.20 123.91 2hi6 s ILE 30 Ca 0.00 0.99 -0.31 0.00 0.00 0.00 0.00 60.65 61.33 2hi6 s ILE 30 Cb 0.00 -3.64 -0.12 0.00 0.01 0.00 0.00 42.46 38.71 2hi6 s ILE 30 CO 0.00 -0.01 1.63 0.47 0.00 0.00 0.00 174.94 177.02 2hi6 n ASP 31 N 5.63 3.80 0.28 3.58 8.00 0.84 -4.87 116.55 133.82 2hi6 n ASP 31 Ca 0.14 1.11 0.17 0.00 0.71 0.00 0.00 54.79 56.92 2hi6 n ASP 31 Cb 0.43 -1.57 0.79 0.00 -0.02 0.00 0.00 41.12 40.76 2hi6 n ASP 31 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2hi6 h LYS 32 N 5.48 0.00 0.00 -1.24 1.79 -1.93 -1.86 116.57 118.81 2hi6 h LYS 32 Ca -0.45 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 57.95 2hi6 h LYS 32 Cb 1.22 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.86 2hi6 h LYS 32 CO 0.85 0.04 -1.23 0.39 -1.08 0.00 0.00 179.45 178.43 2hi6 n GLU 33 N -3.22 0.54 0.05 3.15 1.02 -1.26 -4.64 120.64 116.28 2hi6 n GLU 33 Ca -0.01 0.22 0.12 0.00 -0.02 0.00 0.00 57.16 57.47 2hi6 n GLU 33 Cb 0.25 -1.44 0.21 0.00 -0.02 0.00 0.00 31.44 30.44 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 -4.43 0.30 -2.23 2.62 -2.24 -1.25 -4.90 114.28 102.15 2hi6 n THR 34 Ca -0.20 -0.23 -0.14 0.00 -2.27 0.00 0.00 64.05 61.22 2hi6 n THR 34 Cb 0.57 -0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 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 1.36 -0.14 3.67 3.38 0.00 -0.70 -4.87 105.19 107.91 2hi6 n GLY 35 Ca 0.04 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.67 4.79 -0.60 -0.61 -1.09 -1.26 -1.56 121.20 118.20 2hi6 s ILE 36 Ca 0.00 -0.04 -0.28 0.00 -2.23 0.00 0.00 60.65 58.10 2hi6 s ILE 36 Cb 0.00 -3.12 0.03 0.00 -1.58 0.00 0.00 42.46 37.79 2hi6 s ILE 36 CO 0.00 0.51 1.19 0.54 -1.23 0.00 0.00 174.94 175.95 2hi6 s VAL 37 N -0.04 4.00 -0.46 2.92 0.11 -1.02 -0.11 120.40 125.80 2hi6 s VAL 37 Ca 0.06 0.81 0.23 0.00 -2.93 0.00 0.00 61.98 60.16 2hi6 s VAL 37 Cb -0.12 -4.74 0.33 0.00 -1.53 0.00 0.00 36.38 30.32 2hi6 s VAL 37 CO 0.01 -1.40 1.62 0.11 -3.33 0.00 0.00 175.10 172.11 2hi6 h LYS 38 N 9.60 0.00 -6.72 1.54 1.79 -1.02 -2.35 116.57 119.40 2hi6 h LYS 38 Ca -0.25 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.69 2hi6 h LYS 38 Cb 1.06 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.74 2hi6 h LYS 38 CO 1.19 0.00 0.64 -2.00 -1.08 0.00 0.00 179.45 178.20 2hi6 s GLU 39 N -3.20 4.40 -0.03 3.15 2.56 -1.25 -4.90 118.70 119.42 2hi6 s GLU 39 Ca 0.07 2.06 -0.26 0.00 0.00 0.00 0.00 54.97 56.85 2hi6 s GLU 39 Cb 0.06 -3.17 -0.04 0.00 2.00 0.00 0.00 34.13 32.98 2hi6 s GLU 39 CO 0.67 -0.21 0.81 0.34 -0.56 0.00 0.00 175.26 176.31 2hi6 s ASP 40 N 0.10 7.16 0.00 -1.70 2.15 -1.26 -4.02 116.67 119.10 2hi6 s ASP 40 Ca 0.54 1.39 0.00 0.00 0.43 0.00 0.00 52.55 54.92 2hi6 s ASP 40 Cb -0.37 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 39.77 2hi6 s ASP 40 CO 0.41 -0.16 0.00 0.00 -0.17 0.00 0.00 175.17 175.25 2hi6 n GLU 42 N 0.00 0.00 0.01 0.00 2.13 -1.26 -4.42 120.64 117.09 2hi6 n GLU 42 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 2hi6 n GLU 42 Cb 0.00 -0.04 0.52 0.00 0.27 0.00 0.00 31.44 32.19 2hi6 n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2hi6 n ILE 43 N 0.00 0.31 -1.67 6.31 2.08 -1.26 -4.85 119.36 120.28 2hi6 n ILE 43 Ca 0.00 0.05 -0.50 0.00 0.56 0.00 0.00 62.75 62.86 2hi6 n ILE 43 Cb 0.00 -0.65 -0.05 0.00 -0.75 0.00 0.00 39.64 38.19 2hi6 n ILE 43 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2hi6 n LYS 44 N -1.56 1.84 0.00 0.38 4.81 -1.26 -1.67 118.16 120.70 2hi6 n LYS 44 Ca 0.06 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2hi6 n LYS 44 Cb 0.30 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 32.91 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 3.85 2.15 3.91 3.14 0.00 -0.88 -4.98 105.19 112.37 2hi6 n GLY 45 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.47 3.23 0.08 1.61 0.41 -0.67 -4.88 118.70 118.01 2hi6 s GLU 46 Ca 0.00 0.08 0.02 0.00 -0.41 0.00 0.00 54.97 54.65 2hi6 s GLU 46 Cb 0.00 -2.33 -0.04 0.00 -1.78 0.00 0.00 34.13 29.98 2hi6 s GLU 46 CO 0.00 -0.44 0.16 -1.54 -0.49 0.00 0.00 175.26 172.95 2hi6 s SER 47 N -4.20 5.99 0.00 -0.19 1.04 -1.26 -2.45 113.70 112.63 2hi6 s SER 47 Ca 0.51 0.14 0.14 0.00 0.48 0.00 0.00 55.95 57.21 2hi6 s SER 47 Cb -0.10 -1.75 0.11 0.00 0.10 0.00 0.00 66.02 64.38 2hi6 s SER 47 CO 0.45 0.16 0.93 0.52 0.98 0.00 0.00 173.24 176.28 2hi6 n VAL 48 N 0.29 0.00 -2.02 5.02 0.31 -0.60 -4.89 118.33 116.44 2hi6 n VAL 48 Ca -0.07 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.48 2hi6 n VAL 48 Cb 0.52 1.28 -0.05 0.00 -0.91 0.00 0.00 33.84 34.68 2hi6 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hi6 s ALA 49 N -1.14 1.70 0.00 3.52 0.00 -1.22 -2.61 121.76 122.02 2hi6 s ALA 49 Ca 0.16 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.78 2hi6 s ALA 49 Cb 0.11 -4.52 0.00 0.00 0.00 0.00 0.00 23.12 18.72 2hi6 s ALA 49 CO 0.17 -4.72 0.00 0.41 0.00 0.00 0.00 175.76 171.62 2hi6 n GLY 50 N 6.67 0.91 3.79 0.00 0.00 -0.63 -4.94 105.19 110.98 2hi6 n GLY 50 Ca 0.37 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.44 2.36 -0.31 1.61 0.52 -1.07 -4.41 118.95 116.21 2hi6 s ARG 51 Ca 0.00 -1.70 -0.06 0.00 -0.52 0.00 0.00 55.73 53.46 2hi6 s ARG 51 Cb 0.00 -2.15 0.02 0.00 0.52 0.00 0.00 34.95 33.35 2hi6 s ARG 51 CO 0.00 -0.11 0.07 0.42 0.02 0.00 0.00 175.30 175.70 2hi6 s ILE 52 N -2.53 3.76 -0.17 1.52 1.09 0.45 -0.57 121.20 124.74 2hi6 s ILE 52 Ca 0.43 -0.90 -0.07 0.00 -1.10 0.00 0.00 60.65 59.00 2hi6 s ILE 52 Cb 0.01 -3.01 -0.04 0.00 -1.06 0.00 0.00 42.46 38.36 2hi6 s ILE 52 CO 0.24 -0.00 0.08 -0.76 -0.10 0.00 0.00 174.94 174.40 2hi6 s LEU 53 N 1.44 3.98 -0.15 2.97 1.02 -0.57 -0.02 118.68 127.36 2hi6 s LEU 53 Ca 0.01 0.18 -0.03 0.00 0.02 0.00 0.00 54.13 54.31 2hi6 s LEU 53 Cb -0.18 -2.00 -0.03 0.00 0.02 0.00 0.00 46.19 44.01 2hi6 s LEU 53 CO 0.02 0.23 -0.04 0.68 0.02 0.00 0.00 176.35 177.25 2hi6 s VAL 54 N 0.03 3.84 0.03 -1.59 -7.23 -0.91 -0.38 120.40 114.19 2hi6 s VAL 54 Ca 0.07 -0.38 0.05 0.00 -1.81 0.00 0.00 61.98 59.90 2hi6 s VAL 54 Cb -0.12 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 2hi6 s VAL 54 CO 0.00 0.51 -0.13 -0.36 -0.31 0.00 0.00 175.10 174.81 2hi6 s PHE 55 N 0.24 1.17 0.31 2.82 0.40 -0.35 -2.13 117.98 120.44 2hi6 s PHE 55 Ca -0.03 -0.34 0.05 0.00 -0.60 0.00 0.00 56.93 56.01 2hi6 s PHE 55 Cb -0.14 -0.70 0.50 0.00 0.51 0.00 0.00 43.02 43.19 2hi6 s PHE 55 CO 0.03 0.02 1.77 -1.00 0.70 0.00 0.00 175.22 176.74 2hi6 h PRO 56 N 5.03 0.39 0.00 0.24 0.13 -1.85 -1.54 132.00 134.40 2hi6 h PRO 56 Ca -0.37 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2hi6 h PRO 56 Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2hi6 h PRO 56 CO 0.44 0.61 0.00 0.41 -0.23 0.00 0.00 178.00 179.23 2hi6 n GLY 57 N -0.47 -2.26 0.00 1.56 0.00 -1.26 -3.33 105.19 99.43 2hi6 n GLY 57 Ca -0.01 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.15 3.30 3.88 -0.02 0.00 -1.26 -4.92 105.19 106.03 2hi6 n GLY 58 Ca 0.00 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 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 -4.19 3.70 -1.12 1.61 1.02 -1.26 -4.99 119.74 114.51 2hi6 s LYS 59 Ca 0.00 0.06 -0.22 0.00 0.02 0.00 0.00 55.97 55.84 2hi6 s LYS 59 Cb 0.00 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 2hi6 s LYS 59 CO 0.00 0.45 1.76 0.20 -0.92 0.00 0.00 175.35 176.84 2hi6 s GLY 60 N -2.27 0.87 0.04 -3.33 0.00 -1.26 -3.97 107.32 97.40 2hi6 s GLY 60 Ca 0.41 -2.27 -0.08 0.00 0.00 0.00 0.00 44.72 42.78 2hi6 s GLY 60 CO 0.22 3.09 0.33 -0.56 0.00 0.00 0.00 173.10 176.18 2hi6 s SER 61 N 5.77 6.57 -1.20 1.64 0.01 -1.26 -5.01 113.70 120.21 2hi6 s SER 61 Ca 0.59 0.67 -0.05 0.00 1.31 0.00 0.00 55.95 58.47 2hi6 s SER 61 Cb -0.00 -2.13 0.21 0.00 0.21 0.00 0.00 66.02 64.30 2hi6 s SER 61 CO 0.03 0.22 1.97 1.07 0.41 0.00 0.00 173.24 176.94 2hi6 n THR 62 N 1.04 5.23 0.28 1.44 5.66 -1.26 -4.64 114.28 122.03 2hi6 n THR 62 Ca -0.10 -5.01 0.13 0.00 -3.05 0.00 0.00 64.05 56.02 2hi6 n THR 62 Cb 0.53 -2.03 0.83 0.00 -1.55 0.00 0.00 70.33 68.10 2hi6 n THR 62 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 2hi6 h VAL 63 N 2.96 0.67 0.00 1.08 3.04 -1.89 -3.46 116.25 118.64 2hi6 h VAL 63 Ca 0.50 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 66.15 2hi6 h VAL 63 Cb 0.45 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 2hi6 h VAL 63 CO 1.43 0.01 0.00 0.61 -1.01 0.00 0.00 177.57 178.61 2hi6 n GLY 64 N -1.35 0.70 7.00 3.17 0.00 -1.26 -4.93 105.19 108.53 2hi6 n GLY 64 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2hi6 n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hi6 n SER 65 N 0.00 -3.16 0.00 1.61 7.64 -1.26 -4.86 113.62 113.59 2hi6 n SER 65 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2hi6 n SER 65 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2hi6 n SER 65 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2hi6 n TYR 66 N -0.75 0.00 -0.30 1.43 4.01 -1.26 -4.70 117.16 115.60 2hi6 n TYR 66 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 2hi6 n TYR 66 Cb 0.00 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.21 2hi6 n TYR 66 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2hi6 h VAL 67 N 0.00 0.89 -0.22 -0.72 2.07 -1.91 -0.39 116.25 115.97 2hi6 h VAL 67 Ca 0.00 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2hi6 h VAL 67 Cb 0.00 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 2hi6 h VAL 67 CO 0.00 0.15 0.06 -0.07 0.02 0.00 0.00 177.57 177.72 2hi6 h LEU 68 N 0.80 0.28 -0.34 2.57 -0.00 -1.84 -1.17 115.31 115.62 2hi6 h LEU 68 Ca 0.41 -0.03 -0.10 0.00 -0.00 0.00 0.00 57.88 58.17 2hi6 h LEU 68 Cb 0.40 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.98 2hi6 h LEU 68 CO -0.26 0.29 -0.18 0.25 -0.00 0.00 0.00 178.44 178.54 2hi6 h LEU 69 N 0.31 0.74 -0.63 1.67 5.85 -1.30 0.11 115.31 122.07 2hi6 h LEU 69 Ca 0.08 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.40 2hi6 h LEU 69 Cb 0.12 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2hi6 h LEU 69 CO -0.00 0.99 0.40 -1.13 -0.34 0.00 0.00 178.44 178.36 2hi6 h ASN 70 N 0.49 0.67 -0.56 1.25 -1.24 -0.75 0.10 115.58 115.54 2hi6 h ASN 70 Ca 0.07 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.00 2hi6 h ASN 70 Cb 0.72 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.59 2hi6 h ASN 70 CO 0.05 0.47 0.08 -0.07 -1.29 0.00 0.00 177.43 176.67 2hi6 h LEU 71 N 0.80 0.93 -0.55 0.34 3.38 -1.08 -2.58 115.31 116.55 2hi6 h LEU 71 Ca 0.25 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 2hi6 h LEU 71 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2hi6 h LEU 71 CO -0.08 0.95 -0.28 -0.09 0.09 0.00 0.00 178.44 179.02 2hi6 h ARG 72 N 0.92 0.86 -0.42 1.13 1.12 -0.29 0.11 114.38 117.81 2hi6 h ARG 72 Ca 0.18 -0.39 -0.00 0.00 -1.11 0.00 0.00 59.98 58.66 2hi6 h ARG 72 Cb 0.43 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.35 2hi6 h ARG 72 CO 0.01 1.03 0.26 0.87 -3.11 0.00 0.00 179.97 179.04 2hi6 h LYS 73 N 0.73 0.56 0.00 0.20 1.57 -0.64 -2.33 116.57 116.67 2hi6 h LYS 73 Ca 0.08 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2hi6 h LYS 73 Cb 0.84 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2hi6 h LYS 73 CO 0.07 0.39 -0.86 -0.97 -0.57 0.00 0.00 179.45 177.51 2hi6 h ASN 74 N 0.58 0.00 0.00 0.86 -1.24 -1.05 -3.48 115.58 111.25 2hi6 h ASN 74 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.16 2hi6 h ASN 74 Cb -0.04 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.01 2hi6 h ASN 74 CO -0.03 0.27 0.00 0.61 -1.29 0.00 0.00 177.43 176.98 2hi6 n GLY 75 N 1.24 0.69 0.64 1.57 0.00 0.22 -4.95 105.19 104.60 2hi6 n GLY 75 Ca -0.02 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.50 1.49 -3.54 1.61 0.24 -0.31 -4.45 118.33 110.87 2hi6 n VAL 76 Ca 0.00 -1.37 -0.23 0.00 -2.04 0.00 0.00 64.34 60.70 2hi6 n VAL 76 Cb 0.00 0.20 -0.01 0.00 -1.47 0.00 0.00 33.84 32.56 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 -1.72 3.77 0.38 2.33 0.00 -1.13 -3.42 121.76 121.97 2hi6 s ALA 77 Ca 0.28 -1.01 -0.27 0.00 0.00 0.00 0.00 51.96 50.96 2hi6 s ALA 77 Cb 0.19 -2.00 -0.10 0.00 0.00 0.00 0.00 23.12 21.22 2hi6 s ALA 77 CO 0.11 0.05 1.35 -1.25 0.00 0.00 0.00 175.76 176.02 2hi6 s PRO 78 N -4.22 4.11 0.38 0.00 0.04 -1.08 -1.61 135.00 132.61 2hi6 s PRO 78 Ca 0.38 2.28 0.16 0.00 0.04 0.00 0.00 61.00 63.86 2hi6 s PRO 78 Cb -0.09 -2.90 0.77 0.00 0.04 0.00 0.00 34.50 32.32 2hi6 s PRO 78 CO 0.34 -0.42 1.81 0.87 0.04 0.00 0.00 177.00 179.64 2hi6 h LYS 79 N 2.95 0.00 -1.96 4.56 1.57 -1.07 -3.46 116.57 119.16 2hi6 h LYS 79 Ca -0.50 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.24 2hi6 h LYS 79 Cb 1.24 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.35 2hi6 h LYS 79 CO 0.64 0.36 0.21 0.00 -0.57 0.00 0.00 179.45 180.09 2hi6 s ALA 80 N -3.96 -1.79 -0.18 3.86 0.00 -1.23 -4.03 121.76 114.43 2hi6 s ALA 80 Ca -0.02 1.49 0.01 0.00 0.00 0.00 0.00 51.96 53.44 2hi6 s ALA 80 Cb 0.13 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.97 2hi6 s ALA 80 CO 0.70 -0.36 -0.13 0.42 0.00 0.00 0.00 175.76 176.39 2hi6 s ILE 81 N -0.85 1.72 -0.28 0.00 1.01 -1.18 -1.51 121.20 120.11 2hi6 s ILE 81 Ca -0.08 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 2hi6 s ILE 81 Cb -0.01 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.79 2hi6 s ILE 81 CO 0.07 0.33 0.03 -0.63 0.00 0.00 0.00 174.94 174.74 2hi6 s ILE 82 N 1.40 3.61 0.16 2.92 -1.09 0.48 -3.22 121.20 125.45 2hi6 s ILE 82 Ca 0.02 -0.78 0.07 0.00 -2.23 0.00 0.00 60.65 57.73 2hi6 s ILE 82 Cb -0.15 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 2hi6 s ILE 82 CO -0.10 0.13 -0.03 0.20 -1.23 0.00 0.00 174.94 173.91 2hi6 s ASN 83 N 1.45 4.65 0.08 3.58 -0.87 -0.95 -1.21 114.94 121.67 2hi6 s ASN 83 Ca 0.02 -0.40 -0.18 0.00 -1.57 0.00 0.00 52.86 50.73 2hi6 s ASN 83 Cb -0.17 -0.96 -0.09 0.00 -0.02 0.00 0.00 41.25 40.02 2hi6 s ASN 83 CO 0.00 0.11 1.49 0.50 -2.57 0.00 0.00 177.10 176.64 2hi6 h LYS 84 N 2.96 0.46 -3.13 -0.60 3.11 -1.33 0.50 116.57 118.54 2hi6 h LYS 84 Ca -0.47 -0.17 -0.30 0.00 -2.81 0.00 0.00 60.65 56.90 2hi6 h LYS 84 Cb 1.19 -0.03 -0.36 0.00 -1.00 0.00 0.00 32.23 32.03 2hi6 h LYS 84 CO 0.57 0.67 -0.65 0.21 -2.81 0.00 0.00 179.45 177.44 2hi6 s LYS 85 N -4.85 0.02 0.32 1.90 2.20 -1.21 -3.10 119.74 115.03 2hi6 s LYS 85 Ca -0.14 0.52 -0.14 0.00 -0.36 0.00 0.00 55.97 55.86 2hi6 s LYS 85 Cb 0.07 -0.29 -0.09 0.00 -1.51 0.00 0.00 37.83 36.01 2hi6 s LYS 85 CO 0.76 -0.30 0.72 0.99 -0.36 0.00 0.00 175.35 177.16 2hi6 s THR 86 N 2.18 4.71 0.20 3.43 2.01 -1.26 -4.55 115.64 122.36 2hi6 s THR 86 Ca 0.02 0.89 0.11 0.00 0.31 0.00 0.00 61.69 63.02 2hi6 s THR 86 Cb -0.12 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2hi6 s THR 86 CO -0.05 -0.18 -0.20 -0.70 -0.69 0.00 0.00 174.62 172.80 2hi6 s GLU 87 N -2.99 1.68 0.18 4.92 -6.30 -1.26 -5.03 118.70 109.90 2hi6 s GLU 87 Ca 0.53 -1.50 -0.18 0.00 -2.50 0.00 0.00 54.97 51.33 2hi6 s GLU 87 Cb -0.10 -1.91 0.12 0.00 0.00 0.00 0.00 34.13 32.23 2hi6 s GLU 87 CO 0.18 0.40 1.64 1.15 0.02 0.00 0.00 175.26 178.64 2hi6 h THR 88 N 2.94 0.42 -0.91 -1.70 2.02 -1.99 -1.28 112.91 112.42 2hi6 h THR 88 Ca -0.46 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.79 2hi6 h THR 88 Cb 1.22 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.98 2hi6 h THR 88 CO 0.51 0.00 0.57 0.40 0.37 0.00 0.00 175.52 177.37 2hi6 h ILE 89 N -0.09 1.05 -0.25 3.11 2.04 -1.97 0.03 117.51 121.44 2hi6 h ILE 89 Ca 0.21 -0.35 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 2hi6 h ILE 89 Cb 0.42 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2hi6 h ILE 89 CO -0.51 0.19 -0.28 0.40 0.00 0.00 0.00 178.15 177.95 2hi6 h ILE 90 N 1.03 1.31 -0.38 -0.67 2.04 -1.71 -2.55 117.51 116.58 2hi6 h ILE 90 Ca 0.40 -1.46 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 2hi6 h ILE 90 Cb 0.19 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2hi6 h ILE 90 CO -0.18 0.46 0.02 0.00 0.00 0.00 0.00 178.15 178.45 2hi6 h ALA 91 N 0.67 0.51 -0.61 1.87 0.00 -0.67 -2.14 119.26 118.89 2hi6 h ALA 91 Ca 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2hi6 h ALA 91 Cb 0.85 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2hi6 h ALA 91 CO 0.07 0.27 0.31 0.28 0.00 0.00 0.00 179.25 180.17 2hi6 h VAL 92 N 0.49 1.21 -0.57 0.00 2.07 -1.03 0.63 116.25 119.05 2hi6 h VAL 92 Ca 0.11 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 2hi6 h VAL 92 Cb 0.44 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2hi6 h VAL 92 CO 0.02 0.23 0.27 1.23 0.02 0.00 0.00 177.57 179.34 2hi6 h GLY 93 N 0.83 0.88 1.24 2.17 0.00 -1.33 -2.94 103.07 103.92 2hi6 h GLY 93 Ca 0.21 -0.44 -0.24 0.00 0.00 0.00 0.00 47.33 46.86 2hi6 h GLY 93 CO -0.03 0.42 -0.89 0.00 0.00 0.00 0.00 176.54 176.03 2hi6 h ALA 94 N 1.11 0.25 -0.42 3.60 0.00 -1.18 -3.25 119.26 119.38 2hi6 h ALA 94 Ca 0.19 -0.65 0.03 0.00 0.00 0.00 0.00 54.91 54.49 2hi6 h ALA 94 Cb 0.12 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2hi6 h ALA 94 CO -0.02 0.70 0.21 0.00 0.00 0.00 0.00 179.25 180.13 2hi6 h ALA 95 N 0.52 0.52 -0.05 0.00 0.00 -0.82 0.14 119.26 119.58 2hi6 h ALA 95 Ca -0.08 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2hi6 h ALA 95 Cb 1.53 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2hi6 h ALA 95 CO 0.18 -0.15 -0.28 0.52 0.00 0.00 0.00 179.25 179.52 2hi6 h MET 96 N 0.42 0.08 -0.08 0.00 2.86 -1.61 -1.70 114.93 114.90 2hi6 h MET 96 Ca 0.18 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2hi6 h MET 96 Cb 0.08 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2hi6 h MET 96 CO -0.12 0.36 0.00 0.00 1.06 0.00 0.00 176.91 178.21 2hi6 n ALA 97 N -2.48 2.56 -3.54 6.32 0.00 -0.85 -4.91 120.51 117.60 2hi6 n ALA 97 Ca -0.02 -0.44 -0.22 0.00 0.00 0.00 0.00 53.44 52.76 2hi6 n ALA 97 Cb 0.35 -1.17 0.08 0.00 0.00 0.00 0.00 19.45 18.71 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 0.09 -7.59 -3.45 0.00 1.02 -0.64 -4.94 120.64 105.13 2hi6 n GLU 98 Ca 0.18 0.80 -0.44 0.00 -0.02 0.00 0.00 57.16 57.68 2hi6 n GLU 98 Cb 0.31 -5.77 -0.04 0.00 -0.02 0.00 0.00 31.44 25.92 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 -3.31 5.01 -0.78 -3.67 1.01 0.40 -4.96 121.20 114.90 2hi6 s ILE 99 Ca 0.51 -2.61 -0.29 0.00 0.00 0.00 0.00 60.65 58.26 2hi6 s ILE 99 Cb -0.22 -4.14 -0.16 0.00 0.01 0.00 0.00 42.46 37.95 2hi6 s ILE 99 CO 0.70 -0.98 2.57 -0.81 0.00 0.00 0.00 174.94 176.43 2hi6 n PRO 100 N 3.84 0.44 -3.68 2.79 -0.04 -1.26 -4.42 135.00 132.68 2hi6 n PRO 100 Ca 0.11 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.22 2hi6 n PRO 100 Cb 0.44 -2.31 -0.09 0.00 -0.04 0.00 0.00 33.50 31.50 2hi6 n PRO 100 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2hi6 s LEU 101 N 10.30 4.16 0.14 1.53 0.20 -1.25 -3.10 118.68 130.65 2hi6 s LEU 101 Ca 1.20 0.19 0.04 0.00 0.69 0.00 0.00 54.13 56.25 2hi6 s LEU 101 Cb -0.81 -2.12 -0.04 0.00 -0.43 0.00 0.00 46.19 42.79 2hi6 s LEU 101 CO 0.40 0.11 -0.10 0.68 -0.29 0.00 0.00 176.35 177.15 2hi6 s VAL 102 N 0.74 1.10 -0.16 1.68 -7.23 -1.20 -0.57 120.40 114.76 2hi6 s VAL 102 Ca 0.08 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.05 2hi6 s VAL 102 Cb -0.12 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 2hi6 s VAL 102 CO 0.02 -0.73 0.62 -0.70 -0.31 0.00 0.00 175.10 173.99 2hi6 s GLU 103 N -3.63 4.27 -0.63 4.82 2.12 0.87 -2.24 118.70 124.27 2hi6 s GLU 103 Ca 0.15 0.64 -0.24 0.00 0.36 0.00 0.00 54.97 55.88 2hi6 s GLU 103 Cb 0.02 -3.54 0.05 0.00 0.26 0.00 0.00 34.13 30.93 2hi6 s GLU 103 CO -0.00 -0.13 1.00 0.08 -0.54 0.00 0.00 175.26 175.67 2hi6 s VAL 104 N 1.54 4.26 0.08 3.70 1.01 0.17 0.13 120.40 131.30 2hi6 s VAL 104 Ca 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 2hi6 s VAL 104 Cb -0.16 -4.67 -0.27 0.00 0.00 0.00 0.00 36.38 31.29 2hi6 s VAL 104 CO 0.12 -1.39 1.17 -0.09 0.00 0.00 0.00 175.10 174.90 2hi6 h ARG 105 N 9.54 0.34 -5.31 2.72 2.43 -1.81 -3.42 114.38 118.87 2hi6 h ARG 105 Ca -0.28 -0.51 -0.65 0.00 -0.81 0.00 0.00 59.98 57.73 2hi6 h ARG 105 Cb 1.07 0.18 -0.16 0.00 -0.42 0.00 0.00 29.97 30.64 2hi6 h ARG 105 CO 1.16 1.22 0.39 0.34 -1.51 0.00 0.00 179.97 181.57 2hi6 s ASP 106 N -7.18 6.21 0.31 -3.80 -1.08 -1.26 -4.88 116.67 104.98 2hi6 s ASP 106 Ca -0.05 -0.95 0.25 0.00 -0.52 0.00 0.00 52.55 51.29 2hi6 s ASP 106 Cb 0.07 -2.38 1.05 0.00 -1.46 0.00 0.00 42.92 40.20 2hi6 s ASP 106 CO 0.89 -1.26 1.76 -0.08 0.52 0.00 0.00 175.17 177.00 2hi6 h GLU 107 N 9.37 0.00 0.00 4.34 4.81 -1.97 -2.16 114.58 128.97 2hi6 h GLU 107 Ca -0.28 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 2hi6 h GLU 107 Cb 1.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 2hi6 h GLU 107 CO 1.12 0.00 -0.05 0.87 -0.73 0.00 0.00 179.01 180.22 2hi6 h LYS 108 N 0.00 0.00 -0.85 1.92 1.79 -1.98 -1.79 116.57 115.66 2hi6 h LYS 108 Ca 0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2hi6 h LYS 108 Cb 0.40 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.00 2hi6 h LYS 108 CO 0.00 0.05 0.57 0.35 -1.08 0.00 0.00 179.45 179.34 2hi6 h PHE 109 N 0.00 1.07 0.00 -1.35 3.57 -1.81 -1.46 116.94 116.96 2hi6 h PHE 109 Ca -0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2hi6 h PHE 109 Cb 0.14 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 2hi6 h PHE 109 CO 0.00 0.66 -0.16 0.74 -2.23 0.00 0.00 178.31 177.33 2hi6 h PHE 110 N 1.14 0.00 0.04 0.41 0.04 -1.53 -1.37 116.94 115.67 2hi6 h PHE 110 Ca 0.32 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.86 2hi6 h PHE 110 Cb -0.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 2hi6 h PHE 110 CO -0.00 0.16 -1.03 0.93 -0.60 0.00 0.00 178.31 177.77 2hi6 h GLU 111 N 0.00 0.13 0.01 1.51 5.08 -1.31 -3.32 114.58 116.69 2hi6 h GLU 111 Ca -0.00 -0.19 -0.27 0.00 -1.00 0.00 0.00 59.36 57.90 2hi6 h GLU 111 Cb 0.70 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 2hi6 h GLU 111 CO 0.02 1.04 -1.48 0.00 -1.00 0.00 0.00 179.01 177.59 2hi6 h ALA 112 N 0.88 0.59 -2.39 3.43 0.00 -1.10 -3.46 119.26 117.21 2hi6 h ALA 112 Ca -0.06 -1.26 -0.54 0.00 0.00 0.00 0.00 54.91 53.05 2hi6 h ALA 112 Cb 1.74 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 2hi6 h ALA 112 CO 0.15 1.43 0.64 0.54 0.00 0.00 0.00 179.25 182.01 2hi6 s VAL 113 N -2.63 4.17 0.18 0.00 0.11 -0.54 -5.02 120.40 116.66 2hi6 s VAL 113 Ca -0.04 1.53 0.05 0.00 -2.93 0.00 0.00 61.98 60.59 2hi6 s VAL 113 Cb 0.08 -3.98 -0.05 0.00 -1.53 0.00 0.00 36.38 30.91 2hi6 s VAL 113 CO 0.82 0.05 -0.09 -0.54 -3.33 0.00 0.00 175.10 172.02 2hi6 s LYS 114 N 1.74 1.20 0.04 1.54 -0.14 -1.26 -4.91 119.74 117.94 2hi6 s LYS 114 Ca 0.57 -1.55 -0.30 0.00 -1.36 0.00 0.00 55.97 53.33 2hi6 s LYS 114 Cb -0.27 -0.75 -0.07 0.00 -1.68 0.00 0.00 37.83 35.07 2hi6 s LYS 114 CO 0.25 0.06 1.54 0.99 -0.76 0.00 0.00 175.35 177.43 2hi6 s THR 115 N -3.26 3.34 0.00 2.17 2.01 -1.25 -2.69 115.64 115.96 2hi6 s THR 115 Ca 0.21 0.76 0.00 0.00 0.31 0.00 0.00 61.69 62.97 2hi6 s THR 115 Cb 0.03 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.05 2hi6 s THR 115 CO 0.04 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 2hi6 n GLY 116 N 3.84 0.56 3.95 4.40 0.00 -0.67 -5.01 105.19 112.25 2hi6 n GLY 116 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 2hi6 n GLY 116 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hi6 s ASP 117 N -2.38 4.10 -0.19 1.61 -1.08 -1.10 -4.79 116.67 112.84 2hi6 s ASP 117 Ca 0.00 0.11 -0.00 0.00 -0.52 0.00 0.00 52.55 52.14 2hi6 s ASP 117 Cb 0.00 -0.47 0.01 0.00 -1.46 0.00 0.00 42.92 41.00 2hi6 s ASP 117 CO 0.00 -2.06 -0.15 -0.60 0.52 0.00 0.00 175.17 172.88 2hi6 s ARG 118 N -5.42 3.13 -0.13 4.34 3.52 -1.26 0.24 118.95 123.37 2hi6 s ARG 118 Ca 0.67 -0.76 0.02 0.00 -0.13 0.00 0.00 55.73 55.53 2hi6 s ARG 118 Cb -0.07 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.62 2hi6 s ARG 118 CO 0.47 -0.18 -0.21 0.08 -0.81 0.00 0.00 175.30 174.66 2hi6 s VAL 119 N 1.28 2.24 -0.39 7.11 1.01 -0.92 -2.85 120.40 127.88 2hi6 s VAL 119 Ca 0.04 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 2hi6 s VAL 119 Cb -0.14 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.37 2hi6 s VAL 119 CO -0.08 0.54 0.26 -0.69 0.00 0.00 0.00 175.10 175.13 2hi6 s VAL 120 N 0.67 4.95 -0.30 2.92 1.01 -0.05 -2.92 120.40 126.67 2hi6 s VAL 120 Ca -0.10 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 2hi6 s VAL 120 Cb -0.16 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2hi6 s VAL 120 CO 0.02 -0.27 0.20 0.54 0.00 0.00 0.00 175.10 175.59 2hi6 s VAL 121 N 1.62 5.24 -0.70 2.92 0.11 -0.26 -0.72 120.40 128.61 2hi6 s VAL 121 Ca 0.04 -0.01 -0.14 0.00 -2.93 0.00 0.00 61.98 58.93 2hi6 s VAL 121 Cb -0.19 -3.57 0.18 0.00 -1.53 0.00 0.00 36.38 31.27 2hi6 s VAL 121 CO 0.08 0.15 0.64 0.20 -3.33 0.00 0.00 175.10 172.85 2hi6 s ASN 122 N 1.73 6.46 0.00 3.54 -0.87 0.22 -2.55 114.94 123.47 2hi6 s ASN 122 Ca 0.07 -2.35 0.26 0.00 -1.57 0.00 0.00 52.86 49.27 2hi6 s ASN 122 Cb -0.17 -2.19 1.35 0.00 -0.02 0.00 0.00 41.25 40.22 2hi6 s ASN 122 CO 0.10 -0.67 1.89 0.00 -2.57 0.00 0.00 177.10 175.85 2hi6 n ALA 123 N 4.45 2.62 1.63 0.60 0.00 -0.58 0.27 120.51 129.50 2hi6 n ALA 123 Ca 0.03 -0.29 0.15 0.00 0.00 0.00 0.00 53.44 53.33 2hi6 n ALA 123 Cb 0.44 -1.32 0.70 0.00 0.00 0.00 0.00 19.45 19.27 2hi6 n ALA 123 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2hi6 n ASP 124 N -0.48 0.59 0.00 0.00 2.03 -1.22 -4.22 116.55 113.26 2hi6 n ASP 124 Ca 0.19 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.53 2hi6 n ASP 124 Cb 0.19 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 2hi6 n ASP 124 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2hi6 n GLU 125 N -0.66 0.00 0.00 -0.67 0.00 -1.13 -5.06 120.64 113.13 2hi6 n GLU 125 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.35 2hi6 n GLU 125 Cb 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 31.44 31.46 2hi6 n GLU 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hi6 n GLY 126 N 0.43 0.62 3.43 8.31 0.00 0.14 -4.81 105.19 113.31 2hi6 n GLY 126 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.08 -0.58 -0.10 1.61 5.04 -0.74 -1.01 117.35 120.50 2hi6 s TYR 127 Ca 0.00 1.40 0.02 0.00 -2.44 0.00 0.00 57.07 56.05 2hi6 s TYR 127 Cb 0.00 0.20 0.01 0.00 0.35 0.00 0.00 41.96 42.52 2hi6 s TYR 127 CO 0.00 -0.29 -0.17 0.14 -1.34 0.00 0.00 175.55 173.90 2hi6 s VAL 128 N 0.23 1.56 -0.37 3.14 -7.23 0.63 -0.61 120.40 117.74 2hi6 s VAL 128 Ca -0.00 -0.70 -0.13 0.00 -1.81 0.00 0.00 61.98 59.34 2hi6 s VAL 128 Cb -0.04 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.51 2hi6 s VAL 128 CO 0.01 0.45 0.24 -1.61 -0.31 0.00 0.00 175.10 173.88 2hi6 s GLU 129 N 0.81 3.06 -0.16 4.82 2.02 0.11 -1.43 118.70 127.93 2hi6 s GLU 129 Ca -0.10 -0.93 -0.04 0.00 0.02 0.00 0.00 54.97 53.91 2hi6 s GLU 129 Cb -0.16 -3.82 -0.03 0.00 0.10 0.00 0.00 34.13 30.22 2hi6 s GLU 129 CO 0.01 -0.64 -0.03 -1.17 0.02 0.00 0.00 175.26 173.45 2hi6 s LEU 130 N 1.64 3.28 -0.24 1.80 0.20 -0.56 -0.87 118.68 123.92 2hi6 s LEU 130 Ca 0.04 -0.12 0.02 0.00 0.69 0.00 0.00 54.13 54.76 2hi6 s LEU 130 Cb -0.19 -1.79 0.05 0.00 -0.43 0.00 0.00 46.19 43.84 2hi6 s LEU 130 CO 0.09 0.16 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.58 2hi6 s ILE 131 N 0.39 1.96 -1.79 6.68 1.09 -1.13 -2.25 121.20 126.15 2hi6 s ILE 131 Ca -0.04 -1.41 0.00 0.00 -1.10 0.00 0.00 60.65 58.10 2hi6 s ILE 131 Cb -0.14 -2.07 0.00 0.00 -1.06 0.00 0.00 42.46 39.19 2hi6 s ILE 131 CO 0.03 0.03 0.45 -0.62 -0.10 0.00 0.00 174.94 174.72