#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 1.12 0.24 5.55 -2.85 -1.26 -1.30 119.74 121.24 2hi6 s LYS 2 Ca 0.00 -0.49 -0.05 0.00 -1.00 0.00 0.00 55.97 54.43 2hi6 s LYS 2 Cb 0.00 -2.02 -0.05 0.00 -2.06 0.00 0.00 37.83 33.69 2hi6 s LYS 2 CO 0.00 -0.51 0.49 -0.06 0.10 0.00 0.00 175.35 175.37 2hi6 s PHE 3 N 1.71 3.47 -0.23 1.78 0.08 -0.43 -4.88 117.98 119.48 2hi6 s PHE 3 Ca -0.00 0.62 -0.09 0.00 0.12 0.00 0.00 56.93 57.58 2hi6 s PHE 3 Cb -0.16 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 2hi6 s PHE 3 CO -0.07 0.27 0.12 0.00 -0.10 0.00 0.00 175.22 175.43 2hi6 s ALA 4 N -1.92 3.43 0.46 5.36 0.00 -1.26 -0.38 121.76 127.45 2hi6 s ALA 4 Ca 0.43 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.50 2hi6 s ALA 4 Cb -0.11 -2.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 2hi6 s ALA 4 CO 0.27 -0.22 0.03 0.00 0.00 0.00 0.00 175.76 175.84 2hi6 s ARG 6 N -3.81 3.38 0.01 0.00 3.52 0.10 -4.63 118.95 117.52 2hi6 s ARG 6 Ca 0.22 -0.33 -0.18 0.00 -0.13 0.00 0.00 55.73 55.31 2hi6 s ARG 6 Cb 0.06 -3.90 -0.06 0.00 -1.56 0.00 0.00 34.95 29.48 2hi6 s ARG 6 CO 0.12 -0.87 0.51 0.00 -0.81 0.00 0.00 175.30 174.24 2hi6 s ALA 7 N 2.61 3.59 -0.20 6.12 0.00 -1.26 0.07 121.76 132.69 2hi6 s ALA 7 Ca 0.20 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 2hi6 s ALA 7 Cb -0.15 -2.57 -0.09 0.00 0.00 0.00 0.00 23.12 20.31 2hi6 s ALA 7 CO 0.16 0.33 -0.29 -0.89 0.00 0.00 0.00 175.76 175.08 2hi6 n ILE 8 N 2.18 1.28 -3.28 0.00 -0.00 -0.68 -4.98 119.36 113.88 2hi6 n ILE 8 Ca -0.10 -0.20 -0.21 0.00 -0.00 0.00 0.00 62.75 62.23 2hi6 n ILE 8 Cb 0.51 -1.89 0.03 0.00 -0.00 0.00 0.00 39.64 38.29 2hi6 n ILE 8 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 2hi6 s THR 9 N -2.48 2.21 0.27 1.39 -4.23 -1.21 -5.02 115.64 106.57 2hi6 s THR 9 Ca -0.30 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 2hi6 s THR 9 Cb 0.10 -2.36 -0.00 0.00 1.34 0.00 0.00 72.50 71.58 2hi6 s THR 9 CO 0.38 0.00 0.02 0.54 -0.54 0.00 0.00 174.62 175.02 2hi6 n ARG 10 N -2.00 1.19 0.00 3.99 1.74 -1.26 -4.47 116.66 115.84 2hi6 n ARG 10 Ca 0.09 -2.04 0.00 0.00 -0.77 0.00 0.00 57.85 55.14 2hi6 n ARG 10 Cb 0.62 0.66 0.00 0.00 -1.02 0.00 0.00 32.46 32.72 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 1.39 1.28 2.88 -0.13 0.00 -1.26 -4.19 105.19 105.15 2hi6 n GLY 11 Ca -0.10 -2.04 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 2hi6 n GLY 11 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hi6 s ARG 12 N -1.82 0.01 0.02 1.61 3.03 -1.26 0.02 118.95 120.56 2hi6 s ARG 12 Ca 0.00 0.02 0.02 0.00 2.03 0.00 0.00 55.73 57.80 2hi6 s ARG 12 Cb 0.00 -0.01 -0.02 0.00 -1.03 0.00 0.00 34.95 33.90 2hi6 s ARG 12 CO 0.00 -0.01 -0.07 0.00 -1.13 0.00 0.00 175.30 174.09 2hi6 s ALA 13 N 0.06 0.57 -0.12 7.88 0.00 0.86 -5.00 121.76 126.01 2hi6 s ALA 13 Ca -0.00 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.42 2hi6 s ALA 13 Cb -0.01 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.09 2hi6 s ALA 13 CO -0.00 0.05 -0.14 -1.83 0.00 0.00 0.00 175.76 173.84 2hi6 s GLU 14 N -0.94 2.21 0.20 0.00 1.03 -1.26 -0.77 118.70 119.17 2hi6 s GLU 14 Ca -0.04 -0.54 -0.22 0.00 0.03 0.00 0.00 54.97 54.20 2hi6 s GLU 14 Cb -0.07 -1.95 0.07 0.00 -0.80 0.00 0.00 34.13 31.38 2hi6 s GLU 14 CO 0.00 -0.14 0.99 0.20 -1.33 0.00 0.00 175.26 174.98 2hi6 s GLY 15 N 1.22 0.05 0.21 -3.83 0.00 -1.25 -4.92 107.32 98.80 2hi6 s GLY 15 Ca -0.02 -0.26 -0.30 0.00 0.00 0.00 0.00 44.72 44.15 2hi6 s GLY 15 CO -0.05 1.44 1.05 1.85 0.00 0.00 0.00 173.10 177.38 2hi6 s GLU 16 N -2.49 4.67 -0.12 2.90 2.12 -1.26 -2.84 118.70 121.68 2hi6 s GLU 16 Ca 0.18 1.66 -0.29 0.00 0.36 0.00 0.00 54.97 56.89 2hi6 s GLU 16 Cb -0.03 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.09 2hi6 s GLU 16 CO 0.05 0.22 0.99 0.00 -0.54 0.00 0.00 175.26 175.98 2hi6 s ALA 17 N -0.65 3.44 -0.17 6.30 0.00 0.99 -0.02 121.76 131.64 2hi6 s ALA 17 Ca 0.46 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.75 2hi6 s ALA 17 Cb -0.29 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.43 2hi6 s ALA 17 CO 0.35 -0.64 -0.19 -1.17 0.00 0.00 0.00 175.76 174.11 2hi6 s LEU 18 N 2.12 2.19 -0.22 0.00 0.20 0.14 -0.70 118.68 122.41 2hi6 s LEU 18 Ca 0.47 -0.62 -0.04 0.00 0.69 0.00 0.00 54.13 54.63 2hi6 s LEU 18 Cb -0.18 -1.49 -0.01 0.00 -0.43 0.00 0.00 46.19 44.08 2hi6 s LEU 18 CO 0.16 0.02 -0.03 0.54 -0.29 0.00 0.00 176.35 176.75 2hi6 s VAL 19 N 1.19 3.46 -1.56 1.68 0.11 -1.26 -1.28 120.40 122.74 2hi6 s VAL 19 Ca 0.02 -0.46 0.24 0.00 -2.93 0.00 0.00 61.98 58.85 2hi6 s VAL 19 Cb -0.14 -2.58 0.07 0.00 -1.53 0.00 0.00 36.38 32.21 2hi6 s VAL 19 CO -0.10 0.42 1.31 1.07 -3.33 0.00 0.00 175.10 174.48 2hi6 n THR 20 N 4.79 0.00 0.00 5.04 5.66 -1.22 -4.80 114.28 123.75 2hi6 n THR 20 Ca -0.18 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 2hi6 n THR 20 Cb 0.51 0.67 0.00 0.00 -1.55 0.00 0.00 70.33 69.96 2hi6 n THR 20 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2hi6 n LYS 21 N -0.80 0.00 -1.34 1.09 4.81 -1.26 -4.80 118.16 115.87 2hi6 n LYS 21 Ca 0.09 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.23 2hi6 n LYS 21 Cb 0.37 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.53 2hi6 n LYS 21 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2hi6 s GLU 22 N 0.00 1.80 -1.30 1.64 0.41 -1.26 -4.61 118.70 115.38 2hi6 s GLU 22 Ca 0.00 0.84 -0.16 0.00 -0.41 0.00 0.00 54.97 55.24 2hi6 s GLU 22 Cb 0.00 -1.87 0.09 0.00 -1.78 0.00 0.00 34.13 30.57 2hi6 s GLU 22 CO 0.00 -1.87 1.75 0.66 -0.49 0.00 0.00 175.26 175.31 2hi6 n TYR 23 N -3.63 4.50 -4.26 1.61 4.01 -1.26 -4.70 117.16 113.43 2hi6 n TYR 23 Ca 0.07 -2.97 -0.35 0.00 -0.16 0.00 0.00 57.90 54.50 2hi6 n TYR 23 Cb 0.55 -2.50 -0.10 0.00 -0.31 0.00 0.00 39.34 36.98 2hi6 n TYR 23 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2hi6 s ILE 24 N 3.33 4.43 0.53 -0.72 -4.36 -1.19 -2.72 121.20 120.51 2hi6 s ILE 24 Ca 0.50 -0.19 0.05 0.00 -0.26 0.00 0.00 60.65 60.75 2hi6 s ILE 24 Cb 0.04 -2.91 0.03 0.00 1.25 0.00 0.00 42.46 40.87 2hi6 s ILE 24 CO 0.04 0.55 0.35 -0.55 0.24 0.00 0.00 174.94 175.57 2hi6 s SER 25 N -0.37 4.58 -0.17 4.36 0.15 -1.26 -4.34 113.70 116.65 2hi6 s SER 25 Ca 0.08 -1.27 0.02 0.00 0.70 0.00 0.00 55.95 55.47 2hi6 s SER 25 Cb -0.12 0.37 0.25 0.00 -1.71 0.00 0.00 66.02 64.82 2hi6 s SER 25 CO 0.02 -1.05 1.33 0.49 1.20 0.00 0.00 173.24 175.23 2hi6 n PHE 26 N -1.69 1.14 0.29 3.44 3.72 -1.26 -3.73 117.46 119.38 2hi6 n PHE 26 Ca -0.03 -0.98 0.17 0.00 -0.05 0.00 0.00 57.45 56.56 2hi6 n PHE 26 Cb 0.64 -0.50 0.84 0.00 -0.94 0.00 0.00 39.48 39.53 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 1.02 0.00 0.00 4.37 7.12 -1.90 -3.29 115.31 122.63 2hi6 h LEU 27 Ca 0.23 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.24 2hi6 h LEU 27 Cb 1.68 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.81 2hi6 h LEU 27 CO 0.41 0.05 0.00 0.61 -0.13 0.00 0.00 178.44 179.38 2hi6 n GLY 28 N -0.55 -0.48 2.94 3.75 0.00 -1.24 -4.98 105.19 104.63 2hi6 n GLY 28 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2hi6 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hi6 n GLY 29 N 0.00 1.80 3.58 -0.02 0.00 -1.26 -4.92 105.19 104.37 2hi6 n GLY 29 Ca 0.00 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.21 3.93 0.15 -0.61 1.01 -1.26 0.12 121.20 124.33 2hi6 s ILE 30 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 60.65 59.96 2hi6 s ILE 30 Cb 0.00 -2.65 -0.09 0.00 0.01 0.00 0.00 42.46 39.72 2hi6 s ILE 30 CO 0.00 0.57 1.50 -0.62 0.00 0.00 0.00 174.94 176.39 2hi6 s ASP 31 N -0.48 6.67 0.40 3.58 -1.08 0.59 -4.90 116.67 121.45 2hi6 s ASP 31 Ca 0.08 2.51 0.08 0.00 -0.52 0.00 0.00 52.55 54.69 2hi6 s ASP 31 Cb -0.12 -2.59 0.82 0.00 -1.46 0.00 0.00 42.92 39.57 2hi6 s ASP 31 CO 0.02 -0.76 1.99 0.07 0.52 0.00 0.00 175.17 177.01 2hi6 h LYS 32 N 6.79 0.42 0.00 4.34 2.10 -1.97 -0.77 116.57 127.47 2hi6 h LYS 32 Ca -0.42 -0.05 -0.20 0.00 -2.00 0.00 0.00 60.65 57.97 2hi6 h LYS 32 Cb 1.21 -0.08 -0.04 0.00 -0.90 0.00 0.00 32.23 32.42 2hi6 h LYS 32 CO 0.90 0.37 -1.76 0.39 -2.00 0.00 0.00 179.45 177.35 2hi6 n GLU 33 N -4.39 1.27 0.07 0.07 4.71 -1.26 -4.21 120.64 116.90 2hi6 n GLU 33 Ca 0.01 0.04 -0.04 0.00 -0.01 0.00 0.00 57.16 57.16 2hi6 n GLU 33 Cb 0.15 -1.28 -0.08 0.00 -1.01 0.00 0.00 31.44 29.22 2hi6 n GLU 33 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 2hi6 h THR 34 N 0.00 1.37 -0.20 2.62 2.02 -1.97 -3.46 112.91 113.29 2hi6 h THR 34 Ca -0.30 -2.99 -0.09 0.00 0.77 0.00 0.00 66.41 63.80 2hi6 h THR 34 Cb 1.57 2.66 -0.03 0.00 -1.74 0.00 0.00 68.15 70.61 2hi6 h THR 34 CO -0.02 0.78 -0.08 0.61 0.37 0.00 0.00 175.52 177.18 2hi6 n GLY 35 N 1.34 0.70 3.74 2.16 0.00 -0.30 -4.94 105.19 107.90 2hi6 n GLY 35 Ca -0.02 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.15 5.29 -0.42 -0.61 -1.09 -1.26 -2.21 121.20 118.75 2hi6 s ILE 36 Ca 0.00 0.58 -0.28 0.00 -2.23 0.00 0.00 60.65 58.72 2hi6 s ILE 36 Cb 0.00 -3.64 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 2hi6 s ILE 36 CO 0.00 0.40 1.64 0.68 -1.23 0.00 0.00 174.94 176.44 2hi6 s VAL 37 N 0.33 3.63 -0.96 2.92 -7.23 -0.40 -0.30 120.40 118.38 2hi6 s VAL 37 Ca 0.17 0.60 0.24 0.00 -1.81 0.00 0.00 61.98 61.19 2hi6 s VAL 37 Cb -0.13 -3.95 -0.05 0.00 0.56 0.00 0.00 36.38 32.80 2hi6 s VAL 37 CO 0.05 -0.68 1.28 0.29 -0.31 0.00 0.00 175.10 175.73 2hi6 n LYS 38 N 8.45 0.03 -2.55 4.82 4.76 0.32 -2.33 118.16 131.66 2hi6 n LYS 38 Ca 0.19 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.31 2hi6 n LYS 38 Cb 0.48 -1.51 -0.04 0.00 -1.84 0.00 0.00 35.03 32.12 2hi6 n LYS 38 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2hi6 s GLU 39 N -3.02 3.99 -0.14 1.97 2.56 -0.76 -4.99 118.70 118.32 2hi6 s GLU 39 Ca 0.10 0.93 -0.08 0.00 0.00 0.00 0.00 54.97 55.92 2hi6 s GLU 39 Cb 0.17 -2.18 -0.04 0.00 2.00 0.00 0.00 34.13 34.08 2hi6 s GLU 39 CO 0.74 -0.18 0.14 0.34 -0.56 0.00 0.00 175.26 175.74 2hi6 s ASP 40 N -2.87 6.35 0.29 -1.70 2.15 -1.26 -4.58 116.67 115.05 2hi6 s ASP 40 Ca 0.59 0.42 0.00 0.00 0.43 0.00 0.00 52.55 53.99 2hi6 s ASP 40 Cb -0.10 -2.07 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 2hi6 s ASP 40 CO 0.27 0.36 0.00 0.00 -0.17 0.00 0.00 175.17 175.63 2hi6 n GLU 42 N -3.09 0.00 -1.25 0.00 2.13 -1.26 -4.97 120.64 112.19 2hi6 n GLU 42 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 2hi6 n GLU 42 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 2hi6 n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2hi6 n ILE 43 N -2.34 3.16 -2.65 6.31 5.41 -1.26 -4.94 119.36 123.05 2hi6 n ILE 43 Ca 0.00 -2.52 -0.42 0.00 1.00 0.00 0.00 62.75 60.81 2hi6 n ILE 43 Cb 0.00 -1.41 -0.03 0.00 -0.71 0.00 0.00 39.64 37.49 2hi6 n ILE 43 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2hi6 s LYS 44 N -2.19 4.53 0.00 0.38 2.20 -1.26 -3.67 119.74 119.73 2hi6 s LYS 44 Ca 0.48 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 57.58 2hi6 s LYS 44 Cb 0.35 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 2hi6 s LYS 44 CO -0.12 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 2hi6 n GLY 45 N 2.97 1.99 3.98 5.54 0.00 -0.98 -5.06 105.19 113.63 2hi6 n GLY 45 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 2hi6 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hi6 s GLU 46 N -0.07 2.35 0.10 1.61 2.02 -1.24 -4.79 118.70 118.68 2hi6 s GLU 46 Ca 0.00 -0.85 0.03 0.00 0.02 0.00 0.00 54.97 54.18 2hi6 s GLU 46 Cb 0.00 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.74 2hi6 s GLU 46 CO 0.00 -0.88 0.10 -1.54 0.02 0.00 0.00 175.26 172.95 2hi6 s SER 47 N -4.50 5.55 -0.18 -0.19 1.04 -1.26 -1.27 113.70 112.89 2hi6 s SER 47 Ca 0.59 -0.03 0.16 0.00 0.48 0.00 0.00 55.95 57.15 2hi6 s SER 47 Cb -0.09 -1.49 0.72 0.00 0.10 0.00 0.00 66.02 65.26 2hi6 s SER 47 CO 0.40 0.15 1.64 1.33 0.98 0.00 0.00 173.24 177.74 2hi6 n VAL 48 N 0.27 2.37 -2.29 5.02 0.24 -0.94 -4.94 118.33 118.06 2hi6 n VAL 48 Ca -0.08 -1.43 -0.37 0.00 -2.04 0.00 0.00 64.34 60.41 2hi6 n VAL 48 Cb 0.52 -0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.72 2hi6 n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hi6 s ALA 49 N -2.47 2.33 0.00 2.33 0.00 -1.24 -2.52 121.76 120.19 2hi6 s ALA 49 Ca 0.50 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2hi6 s ALA 49 Cb 0.37 -4.39 0.00 0.00 0.00 0.00 0.00 23.12 19.10 2hi6 s ALA 49 CO 0.17 -3.87 0.00 0.41 0.00 0.00 0.00 175.76 172.47 2hi6 n GLY 50 N 6.11 0.89 3.62 0.00 0.00 -0.97 -4.96 105.19 109.88 2hi6 n GLY 50 Ca 0.22 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.74 1.99 -0.20 1.61 1.70 -1.20 -4.59 118.95 117.53 2hi6 s ARG 51 Ca 0.00 -2.21 -0.11 0.00 -0.47 0.00 0.00 55.73 52.95 2hi6 s ARG 51 Cb 0.00 -1.24 -0.05 0.00 -0.57 0.00 0.00 34.95 33.09 2hi6 s ARG 51 CO 0.00 -0.29 0.17 0.42 -1.08 0.00 0.00 175.30 174.52 2hi6 s ILE 52 N -2.98 5.38 -0.14 4.99 -1.09 0.96 -1.39 121.20 126.92 2hi6 s ILE 52 Ca 0.22 0.27 -0.03 0.00 -2.23 0.00 0.00 60.65 58.88 2hi6 s ILE 52 Cb 0.05 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.39 2hi6 s ILE 52 CO 0.11 0.42 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.42 2hi6 s LEU 53 N 0.46 3.15 -0.14 2.97 2.01 -0.59 0.24 118.68 126.78 2hi6 s LEU 53 Ca 0.10 -0.15 0.01 0.00 0.01 0.00 0.00 54.13 54.10 2hi6 s LEU 53 Cb -0.12 -1.75 0.00 0.00 0.01 0.00 0.00 46.19 44.34 2hi6 s LEU 53 CO -0.00 0.18 -0.18 -0.69 1.01 0.00 0.00 176.35 176.67 2hi6 s VAL 54 N 0.27 2.41 0.02 -1.59 1.01 -0.41 -1.63 120.40 120.48 2hi6 s VAL 54 Ca -0.04 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.11 2hi6 s VAL 54 Cb -0.14 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2hi6 s VAL 54 CO 0.03 0.53 -0.12 -0.36 0.00 0.00 0.00 175.10 175.19 2hi6 s PHE 55 N 0.77 1.05 0.06 5.22 0.40 -0.59 -3.43 117.98 121.46 2hi6 s PHE 55 Ca -0.07 -0.30 -0.17 0.00 -0.60 0.00 0.00 56.93 55.80 2hi6 s PHE 55 Cb -0.16 -0.64 -0.17 0.00 0.51 0.00 0.00 43.02 42.57 2hi6 s PHE 55 CO -0.00 0.00 1.26 -1.00 0.70 0.00 0.00 175.22 176.18 2hi6 h PRO 56 N 5.26 0.59 0.00 0.24 0.13 -1.84 -3.20 132.00 133.19 2hi6 h PRO 56 Ca -0.35 -0.46 0.26 0.00 -0.87 0.00 0.00 66.00 64.58 2hi6 h PRO 56 Cb 1.18 0.09 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 2hi6 h PRO 56 CO 0.46 1.09 0.69 0.41 -0.23 0.00 0.00 178.00 180.42 2hi6 n GLY 57 N 0.67 0.34 2.80 1.56 0.00 -1.26 -2.50 105.19 106.80 2hi6 n GLY 57 Ca -0.08 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 2hi6 n GLY 57 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hi6 s GLY 58 N -3.56 0.07 0.27 -0.02 0.00 -1.26 -3.14 107.32 99.67 2hi6 s GLY 58 Ca 0.23 0.35 -0.29 0.00 0.00 0.00 0.00 44.72 45.01 2hi6 s GLY 58 CO -0.00 0.70 1.11 -1.59 0.00 0.00 0.00 173.10 173.32 2hi6 s LYS 59 N 1.02 4.63 0.40 2.90 -2.85 -1.10 -4.24 119.74 120.50 2hi6 s LYS 59 Ca -0.08 1.81 0.00 0.00 -1.00 0.00 0.00 55.97 56.69 2hi6 s LYS 59 Cb -0.12 -3.20 0.00 0.00 -2.06 0.00 0.00 37.83 32.45 2hi6 s LYS 59 CO -0.03 0.18 0.00 0.41 0.10 0.00 0.00 175.35 176.01 2hi6 n GLY 60 N 1.31 2.22 2.54 0.59 0.00 -1.26 -4.34 105.19 106.25 2hi6 n GLY 60 Ca -0.01 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 2hi6 n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hi6 n SER 61 N 4.94 -5.68 0.20 1.61 7.64 -1.26 -4.87 113.62 116.20 2hi6 n SER 61 Ca 0.00 -0.05 0.08 0.00 1.01 0.00 0.00 58.87 59.92 2hi6 n SER 61 Cb 0.00 -4.71 0.30 0.00 -1.01 0.00 0.00 64.21 58.79 2hi6 n SER 61 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2hi6 h THR 62 N -0.27 0.53 -3.82 0.44 2.02 -1.96 -3.46 112.91 106.40 2hi6 h THR 62 Ca -0.48 -1.40 -0.10 0.00 0.77 0.00 0.00 66.41 65.20 2hi6 h THR 62 Cb 1.35 1.99 -0.15 0.00 -1.74 0.00 0.00 68.15 69.59 2hi6 h THR 62 CO 0.55 0.26 -0.44 0.54 0.37 0.00 0.00 175.52 176.80 2hi6 s VAL 63 N -3.38 0.15 0.00 3.16 0.11 -1.26 -4.98 120.40 114.20 2hi6 s VAL 63 Ca 0.03 -1.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 2hi6 s VAL 63 Cb 0.09 -1.21 0.00 0.00 -1.53 0.00 0.00 36.38 33.72 2hi6 s VAL 63 CO 0.67 -0.66 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 2hi6 n GLY 64 N 0.23 0.23 0.28 6.54 0.00 -1.24 -3.17 105.19 108.07 2hi6 n GLY 64 Ca -0.16 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.02 2hi6 n GLY 64 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2hi6 h SER 65 N 0.00 0.00 0.13 1.61 0.87 -1.89 -2.95 113.55 111.32 2hi6 h SER 65 Ca 0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 2hi6 h SER 65 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 2hi6 h SER 65 CO 0.00 0.07 -2.20 -1.22 -0.53 0.00 0.00 176.83 172.95 2hi6 n TYR 66 N -3.38 0.43 0.10 2.24 4.01 -1.26 -4.05 117.16 115.25 2hi6 n TYR 66 Ca -0.01 0.12 -0.02 0.00 -0.16 0.00 0.00 57.90 57.83 2hi6 n TYR 66 Cb 0.23 -1.07 0.22 0.00 -0.31 0.00 0.00 39.34 38.40 2hi6 n TYR 66 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 2hi6 h VAL 67 N 0.01 1.32 -0.83 -0.72 -1.51 -1.87 -2.69 116.25 109.96 2hi6 h VAL 67 Ca -0.48 -1.59 -0.01 0.00 -1.23 0.00 0.00 66.70 63.40 2hi6 h VAL 67 Cb 2.07 1.74 -0.04 0.00 -2.13 0.00 0.00 31.29 32.94 2hi6 h VAL 67 CO 0.02 0.47 0.49 -0.07 -1.23 0.00 0.00 177.57 177.25 2hi6 h LEU 68 N 0.18 1.01 -0.23 4.19 3.38 -1.75 -0.86 115.31 121.22 2hi6 h LEU 68 Ca 0.01 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 2hi6 h LEU 68 Cb 0.85 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2hi6 h LEU 68 CO 0.07 0.78 -0.53 0.25 0.09 0.00 0.00 178.44 179.10 2hi6 h LEU 69 N 1.15 0.87 -0.49 1.67 5.85 -1.72 -2.36 115.31 120.28 2hi6 h LEU 69 Ca 0.30 -0.56 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 2hi6 h LEU 69 Cb -0.03 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 2hi6 h LEU 69 CO -0.05 1.27 0.22 -1.13 -0.34 0.00 0.00 178.44 178.41 2hi6 h ASN 70 N 0.51 0.65 -0.80 1.25 -1.24 -1.14 -1.27 115.58 113.54 2hi6 h ASN 70 Ca 0.00 -0.14 -0.04 0.00 0.71 0.00 0.00 56.30 56.83 2hi6 h ASN 70 Cb 1.14 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.98 2hi6 h ASN 70 CO 0.12 0.61 0.35 -0.07 -1.29 0.00 0.00 177.43 177.15 2hi6 h LEU 71 N 0.65 1.07 -0.45 0.34 3.38 -1.19 -2.78 115.31 116.34 2hi6 h LEU 71 Ca 0.17 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2hi6 h LEU 71 Cb 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2hi6 h LEU 71 CO -0.02 0.93 -0.13 -0.09 0.09 0.00 0.00 178.44 179.22 2hi6 h ARG 72 N 1.15 0.88 0.00 1.13 9.65 -0.90 -0.61 114.38 125.69 2hi6 h ARG 72 Ca 0.27 -0.35 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2hi6 h ARG 72 Cb 0.16 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2hi6 h ARG 72 CO -0.03 0.99 0.00 0.36 2.80 0.00 0.00 179.97 184.09 2hi6 n LYS 73 N -4.24 0.00 0.03 0.20 2.85 -0.53 -1.31 118.16 115.16 2hi6 n LYS 73 Ca -0.00 0.15 0.11 0.00 -1.05 0.00 0.00 58.31 57.51 2hi6 n LYS 73 Cb 0.40 -1.51 -0.03 0.00 -0.65 0.00 0.00 35.03 33.24 2hi6 n LYS 73 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2hi6 n ASN 74 N -1.51 0.54 0.00 -5.58 3.02 -0.86 -4.97 115.26 105.90 2hi6 n ASN 74 Ca 0.05 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 2hi6 n ASN 74 Cb 0.24 1.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.43 2hi6 n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hi6 n GLY 75 N 1.32 0.54 1.06 7.41 0.00 -0.35 -4.90 105.19 110.26 2hi6 n GLY 75 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.89 1.55 -3.30 1.61 0.24 -0.53 -4.55 118.33 110.46 2hi6 n VAL 76 Ca 0.00 -1.26 -0.28 0.00 -2.04 0.00 0.00 64.34 60.76 2hi6 n VAL 76 Cb 0.00 0.22 -0.03 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 -1.67 3.62 0.51 2.33 0.00 -1.10 -3.58 121.76 121.87 2hi6 s ALA 77 Ca 0.39 -0.59 -0.22 0.00 0.00 0.00 0.00 51.96 51.54 2hi6 s ALA 77 Cb 0.25 -2.30 -0.06 0.00 0.00 0.00 0.00 23.12 21.01 2hi6 s ALA 77 CO 0.19 0.18 1.23 -1.25 0.00 0.00 0.00 175.76 176.10 2hi6 s PRO 78 N -3.71 3.43 0.12 0.00 0.04 -1.05 -2.30 135.00 131.54 2hi6 s PRO 78 Ca 0.44 1.90 -0.13 0.00 0.04 0.00 0.00 61.00 63.25 2hi6 s PRO 78 Cb -0.11 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 2hi6 s PRO 78 CO 0.31 -0.86 1.51 0.87 0.04 0.00 0.00 177.00 178.87 2hi6 h LYS 79 N 1.64 0.79 -3.30 4.56 1.57 -1.47 -3.46 116.57 116.91 2hi6 h LYS 79 Ca -0.50 -0.34 -0.08 0.00 -1.87 0.00 0.00 60.65 57.86 2hi6 h LYS 79 Cb 1.27 -0.03 -0.16 0.00 0.08 0.00 0.00 32.23 33.40 2hi6 h LYS 79 CO 0.58 0.96 -0.18 0.00 -0.57 0.00 0.00 179.45 180.24 2hi6 s ALA 80 N -4.66 -0.78 -0.05 3.86 0.00 -1.26 -3.87 121.76 114.99 2hi6 s ALA 80 Ca -0.12 0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.86 2hi6 s ALA 80 Cb 0.10 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.67 2hi6 s ALA 80 CO 0.83 -0.49 -0.06 0.42 0.00 0.00 0.00 175.76 176.46 2hi6 s ILE 81 N -2.95 0.70 -0.15 0.00 1.01 -1.00 -1.55 121.20 117.25 2hi6 s ILE 81 Ca -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 2hi6 s ILE 81 Cb 0.00 -0.70 -0.02 0.00 0.01 0.00 0.00 42.46 41.76 2hi6 s ILE 81 CO -0.06 0.27 -0.09 -0.63 0.00 0.00 0.00 174.94 174.43 2hi6 s ILE 82 N 0.97 3.33 0.20 2.92 -1.09 -0.65 -2.88 121.20 124.01 2hi6 s ILE 82 Ca -0.10 -0.55 0.08 0.00 -2.23 0.00 0.00 60.65 57.85 2hi6 s ILE 82 Cb -0.14 -2.44 -0.05 0.00 -1.58 0.00 0.00 42.46 38.25 2hi6 s ILE 82 CO 0.00 0.50 -0.15 0.20 -1.23 0.00 0.00 174.94 174.26 2hi6 s ASN 83 N 0.53 2.60 -0.13 3.58 0.02 -0.66 -1.53 114.94 119.34 2hi6 s ASN 83 Ca -0.06 -1.00 0.04 0.00 -1.02 0.00 0.00 52.86 50.81 2hi6 s ASN 83 Cb -0.15 -0.14 -0.24 0.00 0.02 0.00 0.00 41.25 40.74 2hi6 s ASN 83 CO 0.03 -0.15 0.33 1.17 0.02 0.00 0.00 177.10 178.50 2hi6 n LYS 84 N -0.32 0.70 -3.50 -0.60 0.00 -1.11 0.33 118.16 113.65 2hi6 n LYS 84 Ca -0.08 0.22 -0.24 0.00 0.00 0.00 0.00 58.31 58.21 2hi6 n LYS 84 Cb 0.60 -1.68 -0.13 0.00 0.00 0.00 0.00 35.03 33.81 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 -2.56 0.22 0.68 1.64 2.20 -1.04 -4.50 119.74 116.38 2hi6 s LYS 85 Ca -0.17 -0.30 0.04 0.00 -0.36 0.00 0.00 55.97 55.17 2hi6 s LYS 85 Cb 0.07 -1.09 0.13 0.00 -1.51 0.00 0.00 37.83 35.43 2hi6 s LYS 85 CO 0.77 -0.95 0.94 -2.37 -0.36 0.00 0.00 175.35 173.38 2hi6 n THR 86 N 5.28 0.00 -4.33 3.43 5.66 -1.26 -4.56 114.28 118.50 2hi6 n THR 86 Ca -0.05 -1.75 -0.25 0.00 -3.05 0.00 0.00 64.05 58.94 2hi6 n THR 86 Cb 0.45 -0.73 -0.12 0.00 -1.55 0.00 0.00 70.33 68.37 2hi6 n THR 86 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2hi6 s GLU 87 N -4.98 1.24 0.28 1.09 -6.30 -1.26 -5.04 118.70 103.73 2hi6 s GLU 87 Ca 0.66 -1.26 -0.02 0.00 -2.50 0.00 0.00 54.97 51.85 2hi6 s GLU 87 Cb -0.04 -1.56 0.39 0.00 0.00 0.00 0.00 34.13 32.92 2hi6 s GLU 87 CO 0.43 0.36 1.87 1.15 0.02 0.00 0.00 175.26 179.08 2hi6 h THR 88 N 3.90 1.22 0.00 -1.70 2.02 -1.99 -1.65 112.91 114.71 2hi6 h THR 88 Ca -0.47 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 65.99 2hi6 h THR 88 Cb 1.18 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 2hi6 h THR 88 CO 0.41 0.28 -0.19 0.16 0.37 0.00 0.00 175.52 176.54 2hi6 h ILE 89 N 0.94 1.09 -0.19 3.11 -0.00 -1.96 -1.37 117.51 119.12 2hi6 h ILE 89 Ca 0.22 -0.66 -0.15 0.00 -0.00 0.00 0.00 64.86 64.28 2hi6 h ILE 89 Cb 0.15 1.36 0.00 0.00 -0.00 0.00 0.00 36.82 38.34 2hi6 h ILE 89 CO -0.02 0.19 -0.45 0.40 -0.00 0.00 0.00 178.15 178.26 2hi6 h ILE 90 N 0.00 1.32 -0.73 0.16 2.04 -1.68 -2.78 117.51 115.85 2hi6 h ILE 90 Ca -0.00 -1.69 0.02 0.00 1.00 0.00 0.00 64.86 64.19 2hi6 h ILE 90 Cb 0.35 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 2hi6 h ILE 90 CO 0.02 0.53 0.47 0.00 0.00 0.00 0.00 178.15 179.17 2hi6 h ALA 91 N 0.59 0.93 -0.18 1.87 0.00 -0.57 0.11 119.26 122.01 2hi6 h ALA 91 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2hi6 h ALA 91 Cb 1.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2hi6 h ALA 91 CO 0.10 0.30 0.08 0.28 0.00 0.00 0.00 179.25 180.01 2hi6 h VAL 92 N 0.95 1.14 -0.57 0.00 2.07 -1.30 -0.49 116.25 118.05 2hi6 h VAL 92 Ca 0.28 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2hi6 h VAL 92 Cb -0.06 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2hi6 h VAL 92 CO -0.08 0.14 0.28 1.23 0.02 0.00 0.00 177.57 179.16 2hi6 h GLY 93 N 0.15 0.88 1.90 2.17 0.00 -1.18 -2.56 103.07 104.43 2hi6 h GLY 93 Ca 0.06 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 2hi6 h GLY 93 CO -0.01 0.41 -0.24 0.00 0.00 0.00 0.00 176.54 176.70 2hi6 h ALA 94 N 1.12 1.47 -0.19 3.60 0.00 -0.65 -1.14 119.26 123.48 2hi6 h ALA 94 Ca 0.20 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2hi6 h ALA 94 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2hi6 h ALA 94 CO -0.03 0.38 -0.46 0.00 0.00 0.00 0.00 179.25 179.14 2hi6 h ALA 95 N 1.65 0.85 0.09 0.00 0.00 -0.71 0.19 119.26 121.33 2hi6 h ALA 95 Ca 0.02 -0.46 -0.27 0.00 0.00 0.00 0.00 54.91 54.20 2hi6 h ALA 95 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2hi6 h ALA 95 CO 0.03 0.66 -1.28 0.52 0.00 0.00 0.00 179.25 179.18 2hi6 h MET 96 N 0.39 0.18 -0.03 0.00 2.86 -1.08 -3.28 114.93 113.96 2hi6 h MET 96 Ca 0.02 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2hi6 h MET 96 Cb 0.96 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.73 2hi6 h MET 96 CO 0.08 1.10 0.00 0.00 1.06 0.00 0.00 176.91 179.15 2hi6 n ALA 97 N -2.52 2.57 -3.42 6.32 0.00 -0.46 -4.95 120.51 118.04 2hi6 n ALA 97 Ca -0.09 -0.46 -0.20 0.00 0.00 0.00 0.00 53.44 52.70 2hi6 n ALA 97 Cb 1.01 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 19.35 2hi6 n ALA 97 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2hi6 n GLU 98 N 0.20 -1.69 -3.87 0.00 2.13 -0.59 -4.96 120.64 111.85 2hi6 n GLU 98 Ca 0.19 0.78 -0.30 0.00 0.66 0.00 0.00 57.16 58.48 2hi6 n GLU 98 Cb 0.35 -5.00 -0.14 0.00 0.27 0.00 0.00 31.44 26.93 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 -3.35 2.21 -0.51 6.31 1.01 0.57 -4.96 121.20 122.47 2hi6 s ILE 99 Ca 0.39 -3.07 -0.44 0.00 0.00 0.00 0.00 60.65 57.54 2hi6 s ILE 99 Cb -0.09 -2.54 -0.19 0.00 0.01 0.00 0.00 42.46 39.65 2hi6 s ILE 99 CO 0.80 -0.83 2.16 -2.65 0.00 0.00 0.00 174.94 174.41 2hi6 n PRO 100 N 3.25 0.00 -3.87 2.79 -0.01 -1.25 -4.67 135.00 131.25 2hi6 n PRO 100 Ca 0.06 0.00 -0.35 0.00 -0.01 0.00 0.00 63.50 63.20 2hi6 n PRO 100 Cb 0.33 -1.50 -0.14 0.00 -0.01 0.00 0.00 33.50 32.18 2hi6 n PRO 100 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 175.50 174.32 2hi6 s LEU 101 N 6.10 3.02 0.03 2.45 1.98 -1.26 -2.37 118.68 128.62 2hi6 s LEU 101 Ca 1.20 -0.35 0.04 0.00 -2.89 0.00 0.00 54.13 52.14 2hi6 s LEU 101 Cb -1.49 -1.78 -0.02 0.00 0.66 0.00 0.00 46.19 43.56 2hi6 s LEU 101 CO 0.65 -0.02 -0.13 0.68 -1.89 0.00 0.00 176.35 175.64 2hi6 s VAL 102 N 1.51 1.05 -0.21 1.68 -7.23 -1.14 -1.68 120.40 114.39 2hi6 s VAL 102 Ca 0.06 -0.87 -0.04 0.00 -1.81 0.00 0.00 61.98 59.32 2hi6 s VAL 102 Cb -0.14 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 35.84 2hi6 s VAL 102 CO -0.02 0.07 -0.02 -0.70 -0.31 0.00 0.00 175.10 174.12 2hi6 s GLU 103 N -0.91 3.50 -0.15 4.82 2.12 0.11 -1.66 118.70 126.54 2hi6 s GLU 103 Ca 0.02 -0.57 -0.10 0.00 0.36 0.00 0.00 54.97 54.68 2hi6 s GLU 103 Cb -0.07 -3.03 -0.05 0.00 0.26 0.00 0.00 34.13 31.24 2hi6 s GLU 103 CO 0.01 -0.07 0.18 0.54 -0.54 0.00 0.00 175.26 175.38 2hi6 s VAL 104 N 1.19 5.40 -0.61 3.70 0.11 0.15 0.01 120.40 130.36 2hi6 s VAL 104 Ca 0.03 0.31 0.23 0.00 -2.93 0.00 0.00 61.98 59.62 2hi6 s VAL 104 Cb -0.14 -3.49 -0.08 0.00 -1.53 0.00 0.00 36.38 31.14 2hi6 s VAL 104 CO 0.00 0.51 1.09 -1.14 -3.33 0.00 0.00 175.10 172.23 2hi6 n ARG 105 N 2.83 0.30 -4.52 1.54 0.00 -1.26 -4.33 116.66 111.22 2hi6 n ARG 105 Ca -0.17 0.02 -0.34 0.00 -0.00 0.00 0.00 57.85 57.36 2hi6 n ARG 105 Cb 0.53 -1.62 -0.11 0.00 0.00 0.00 0.00 32.46 31.26 2hi6 n ARG 105 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2hi6 s ASP 106 N -4.02 4.80 0.49 6.15 -1.08 -1.26 -4.99 116.67 116.75 2hi6 s ASP 106 Ca 0.04 -0.01 0.30 0.00 -0.52 0.00 0.00 52.55 52.36 2hi6 s ASP 106 Cb 0.14 -1.38 1.08 0.00 -1.46 0.00 0.00 42.92 41.30 2hi6 s ASP 106 CO 0.78 0.32 1.87 -0.08 0.52 0.00 0.00 175.17 178.58 2hi6 h GLU 107 N 5.57 0.00 -0.11 4.34 4.57 -2.03 -3.20 114.58 123.72 2hi6 h GLU 107 Ca -0.45 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 57.76 2hi6 h GLU 107 Cb 1.18 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.77 2hi6 h GLU 107 CO 0.55 0.00 0.11 0.87 -1.18 0.00 0.00 179.01 179.36 2hi6 h LYS 108 N 0.00 0.00 -0.65 1.92 1.79 -1.99 -0.64 116.57 117.00 2hi6 h LYS 108 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2hi6 h LYS 108 Cb 0.62 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.24 2hi6 h LYS 108 CO 0.00 0.00 0.35 0.35 -1.08 0.00 0.00 179.45 179.07 2hi6 h PHE 109 N 0.00 0.90 0.00 -1.35 3.57 -1.99 -1.16 116.94 116.91 2hi6 h PHE 109 Ca 0.05 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 2hi6 h PHE 109 Cb 0.27 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2hi6 h PHE 109 CO 0.00 0.65 -0.38 0.74 -2.23 0.00 0.00 178.31 177.09 2hi6 h PHE 110 N 0.89 0.00 -0.03 0.41 0.04 -1.36 0.17 116.94 117.05 2hi6 h PHE 110 Ca 0.23 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.82 2hi6 h PHE 110 Cb 0.05 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 2hi6 h PHE 110 CO -0.01 0.38 -0.77 0.93 -0.60 0.00 0.00 178.31 178.24 2hi6 h GLU 111 N 0.00 0.27 0.18 1.51 4.39 -1.22 -3.33 114.58 116.38 2hi6 h GLU 111 Ca -0.00 -0.24 -0.32 0.00 0.34 0.00 0.00 59.36 59.13 2hi6 h GLU 111 Cb 1.05 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.77 2hi6 h GLU 111 CO 0.05 0.91 -1.57 0.00 -1.16 0.00 0.00 179.01 177.24 2hi6 h ALA 112 N 1.01 0.08 -2.25 3.43 0.00 -0.79 -3.45 119.26 117.30 2hi6 h ALA 112 Ca -0.03 -1.05 -0.56 0.00 0.00 0.00 0.00 54.91 53.27 2hi6 h ALA 112 Cb 1.35 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 2hi6 h ALA 112 CO 0.12 0.88 0.66 0.54 0.00 0.00 0.00 179.25 181.45 2hi6 s VAL 113 N -2.55 4.57 0.09 0.00 0.11 0.56 -5.03 120.40 118.16 2hi6 s VAL 113 Ca -0.15 1.87 0.04 0.00 -2.93 0.00 0.00 61.98 60.81 2hi6 s VAL 113 Cb 0.05 -4.20 -0.03 0.00 -1.53 0.00 0.00 36.38 30.66 2hi6 s VAL 113 CO 0.85 -0.03 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.94 2hi6 s LYS 114 N 2.31 0.84 -0.12 1.54 -0.14 -1.26 -4.84 119.74 118.07 2hi6 s LYS 114 Ca 0.51 -1.08 -0.29 0.00 -1.36 0.00 0.00 55.97 53.75 2hi6 s LYS 114 Cb -0.20 -0.65 -0.06 0.00 -1.68 0.00 0.00 37.83 35.24 2hi6 s LYS 114 CO 0.18 0.12 1.99 0.99 -0.76 0.00 0.00 175.35 177.87 2hi6 s THR 115 N -1.97 3.17 0.00 2.17 2.01 -1.25 -3.43 115.64 116.33 2hi6 s THR 115 Ca 0.02 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.21 2hi6 s THR 115 Cb -0.06 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.28 2hi6 s THR 115 CO 0.01 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.48 2hi6 n GLY 116 N 5.06 2.16 0.85 4.40 0.00 0.12 -4.98 105.19 112.80 2hi6 n GLY 116 Ca 0.24 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 2hi6 n GLY 116 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hi6 n ASP 117 N 0.00 0.33 -4.37 1.61 -0.08 -1.22 -4.71 116.55 108.10 2hi6 n ASP 117 Ca 0.00 -1.27 -0.34 0.00 -1.51 0.00 0.00 54.79 51.68 2hi6 n ASP 117 Cb 0.00 -0.13 -0.14 0.00 2.34 0.00 0.00 41.12 43.19 2hi6 n ASP 117 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2hi6 s ARG 118 N -2.89 3.44 -0.17 -0.67 3.52 -1.24 -0.00 118.95 120.93 2hi6 s ARG 118 Ca 0.14 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 55.12 2hi6 s ARG 118 Cb -0.01 -2.84 0.02 0.00 -1.56 0.00 0.00 34.95 30.57 2hi6 s ARG 118 CO 0.09 0.06 -0.18 0.08 -0.81 0.00 0.00 175.30 174.54 2hi6 s VAL 119 N 0.79 1.90 -0.41 7.11 1.01 -1.13 -0.83 120.40 128.84 2hi6 s VAL 119 Ca -0.03 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 2hi6 s VAL 119 Cb -0.15 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.52 2hi6 s VAL 119 CO 0.01 0.51 0.73 -0.69 0.00 0.00 0.00 175.10 175.67 2hi6 s VAL 120 N 1.36 4.74 -0.44 2.92 1.01 0.11 -3.80 120.40 126.30 2hi6 s VAL 120 Ca 0.05 0.50 -0.18 0.00 0.00 0.00 0.00 61.98 62.34 2hi6 s VAL 120 Cb -0.13 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.05 2hi6 s VAL 120 CO -0.12 -0.56 0.51 -0.69 0.00 0.00 0.00 175.10 174.23 2hi6 s VAL 121 N 3.06 5.01 -0.46 2.92 1.01 0.05 -0.51 120.40 131.48 2hi6 s VAL 121 Ca 0.28 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 2hi6 s VAL 121 Cb -0.13 -4.12 0.12 0.00 0.00 0.00 0.00 36.38 32.25 2hi6 s VAL 121 CO 0.19 -0.53 0.29 0.21 0.00 0.00 0.00 175.10 175.26 2hi6 s ASN 122 N 2.03 5.46 0.00 3.32 3.84 0.19 -0.10 114.94 129.68 2hi6 s ASN 122 Ca 0.14 -2.06 0.26 0.00 0.21 0.00 0.00 52.86 51.41 2hi6 s ASN 122 Cb -0.17 -1.91 0.69 0.00 -0.55 0.00 0.00 41.25 39.31 2hi6 s ASN 122 CO 0.14 -0.59 1.54 0.00 -2.79 0.00 0.00 177.10 175.40 2hi6 n ALA 123 N 4.62 3.26 -0.07 1.71 0.00 0.10 -0.11 120.51 130.02 2hi6 n ALA 123 Ca -0.03 -0.31 -0.11 0.00 0.00 0.00 0.00 53.44 52.99 2hi6 n ALA 123 Cb 0.41 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 2hi6 n ALA 123 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2hi6 h ASP 124 N 0.12 0.33 0.31 0.00 3.32 -1.78 -3.28 116.42 115.44 2hi6 h ASP 124 Ca 0.00 -0.19 -0.32 0.00 0.02 0.00 0.00 57.03 56.53 2hi6 h ASP 124 Cb 0.49 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 2hi6 h ASP 124 CO 0.00 0.44 -1.94 -0.62 -1.72 0.00 0.00 179.24 175.39 2hi6 n GLU 125 N -4.78 0.66 -0.62 3.56 -0.58 -1.23 -4.97 120.64 112.68 2hi6 n GLU 125 Ca -0.03 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2hi6 n GLU 125 Cb 0.15 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.31 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 1.67 0.87 3.11 0.62 0.00 0.10 -4.95 105.19 106.61 2hi6 n GLY 126 Ca -0.23 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.35 -0.15 -0.28 1.61 5.04 0.84 -1.12 117.35 120.94 2hi6 s TYR 127 Ca 0.00 0.34 0.02 0.00 -2.44 0.00 0.00 57.07 55.00 2hi6 s TYR 127 Cb 0.00 0.04 0.07 0.00 0.35 0.00 0.00 41.96 42.43 2hi6 s TYR 127 CO 0.00 -0.18 -0.03 0.14 -1.34 0.00 0.00 175.55 174.14 2hi6 s VAL 128 N -0.41 1.92 -0.45 3.14 -7.23 0.49 -0.64 120.40 117.23 2hi6 s VAL 128 Ca -0.05 -1.71 -0.18 0.00 -1.81 0.00 0.00 61.98 58.23 2hi6 s VAL 128 Cb -0.03 -2.22 0.04 0.00 0.56 0.00 0.00 36.38 34.73 2hi6 s VAL 128 CO 0.01 -0.27 0.48 -1.61 -0.31 0.00 0.00 175.10 173.41 2hi6 s GLU 129 N 1.17 3.10 -0.47 4.82 2.02 0.34 -1.31 118.70 128.35 2hi6 s GLU 129 Ca -0.01 -0.84 -0.28 0.00 0.02 0.00 0.00 54.97 53.86 2hi6 s GLU 129 Cb -0.19 -4.01 0.03 0.00 0.10 0.00 0.00 34.13 30.05 2hi6 s GLU 129 CO -0.08 -0.96 1.08 -1.17 0.02 0.00 0.00 175.26 174.15 2hi6 s LEU 130 N 2.22 3.73 -0.27 1.80 2.96 -0.42 0.08 118.68 128.79 2hi6 s LEU 130 Ca 0.12 0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 54.37 2hi6 s LEU 130 Cb -0.18 -3.46 0.02 0.00 0.50 0.00 0.00 46.19 43.07 2hi6 s LEU 130 CO 0.13 -1.20 -0.01 -0.63 -1.32 0.00 0.00 176.35 173.31 2hi6 s ILE 131 N 4.28 3.27 -2.00 6.68 -1.09 -0.01 -3.80 121.20 128.54 2hi6 s ILE 131 Ca 0.45 -0.92 0.17 0.00 -2.23 0.00 0.00 60.65 58.12 2hi6 s ILE 131 Cb -0.08 -2.68 0.47 0.00 -1.58 0.00 0.00 42.46 38.60 2hi6 s ILE 131 CO 0.30 0.15 1.40 -0.62 -1.23 0.00 0.00 174.94 174.94