#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 1.28 0.20 5.55 1.02 -1.26 -0.65 119.74 125.88 2hi6 s LYS 2 Ca 0.00 -0.94 0.05 0.00 0.02 0.00 0.00 55.97 55.10 2hi6 s LYS 2 Cb 0.00 -1.40 -0.05 0.00 -0.52 0.00 0.00 37.83 35.86 2hi6 s LYS 2 CO 0.00 0.35 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.64 2hi6 s PHE 3 N -0.85 1.53 -0.17 3.18 0.08 -0.31 -4.99 117.98 116.45 2hi6 s PHE 3 Ca 0.06 -0.74 -0.03 0.00 0.12 0.00 0.00 56.93 56.34 2hi6 s PHE 3 Cb -0.09 -0.80 -0.02 0.00 -0.57 0.00 0.00 43.02 41.54 2hi6 s PHE 3 CO 0.02 0.15 -0.06 0.00 -0.10 0.00 0.00 175.22 175.23 2hi6 s ALA 4 N -3.22 2.85 0.38 5.36 0.00 -1.26 -2.56 121.76 123.31 2hi6 s ALA 4 Ca 0.23 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.31 2hi6 s ALA 4 Cb 0.03 -1.53 -0.07 0.00 0.00 0.00 0.00 23.12 21.55 2hi6 s ALA 4 CO 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 175.76 175.79 2hi6 s ARG 6 N -3.67 4.09 -0.58 0.00 3.52 -0.00 -4.36 118.95 117.96 2hi6 s ARG 6 Ca 0.34 0.20 -0.27 0.00 -0.13 0.00 0.00 55.73 55.87 2hi6 s ARG 6 Cb 0.06 -3.61 -0.00 0.00 -1.56 0.00 0.00 34.95 29.84 2hi6 s ARG 6 CO 0.18 -0.22 1.63 0.00 -0.81 0.00 0.00 175.30 176.08 2hi6 s ALA 7 N 1.88 2.54 -0.22 6.12 0.00 -1.26 -2.92 121.76 127.89 2hi6 s ALA 7 Ca 0.19 -0.63 -0.07 0.00 0.00 0.00 0.00 51.96 51.44 2hi6 s ALA 7 Cb -0.15 -4.20 -0.19 0.00 0.00 0.00 0.00 23.12 18.58 2hi6 s ALA 7 CO 0.09 -3.35 -0.03 -0.89 0.00 0.00 0.00 175.76 171.58 2hi6 n ILE 8 N 7.02 1.59 -2.98 0.00 2.08 -1.26 -5.00 119.36 120.81 2hi6 n ILE 8 Ca 0.16 -0.48 0.00 0.00 0.56 0.00 0.00 62.75 62.99 2hi6 n ILE 8 Cb 0.50 -1.69 0.00 0.00 -0.75 0.00 0.00 39.64 37.70 2hi6 n ILE 8 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2hi6 n THR 9 N -3.70 0.00 -4.21 1.39 -2.24 -1.10 -5.06 114.28 99.36 2hi6 n THR 9 Ca -0.42 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.24 2hi6 n THR 9 Cb 0.94 -0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 68.55 2hi6 n THR 9 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2hi6 s ARG 10 N 0.02 1.04 0.00 -0.78 0.52 -1.26 -4.40 118.95 114.09 2hi6 s ARG 10 Ca 0.00 -1.50 0.00 0.00 -0.52 0.00 0.00 55.73 53.71 2hi6 s ARG 10 Cb 0.00 -0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.36 2hi6 s ARG 10 CO 0.00 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.57 2hi6 n GLY 11 N -0.19 2.41 3.20 -3.53 0.00 -1.26 -4.43 105.19 101.39 2hi6 n GLY 11 Ca -0.06 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.84 0.72 0.15 1.61 1.70 -1.26 -0.57 118.95 118.46 2hi6 s ARG 12 Ca 0.00 -0.54 -0.24 0.00 -0.47 0.00 0.00 55.73 54.48 2hi6 s ARG 12 Cb 0.00 0.30 0.06 0.00 -0.57 0.00 0.00 34.95 34.75 2hi6 s ARG 12 CO 0.00 -0.21 0.79 0.00 -1.08 0.00 0.00 175.30 174.80 2hi6 s ALA 13 N -2.38 -1.58 -0.08 7.88 0.00 -0.41 -5.01 121.76 120.17 2hi6 s ALA 13 Ca -0.06 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.24 2hi6 s ALA 13 Cb -0.02 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.82 2hi6 s ALA 13 CO -0.03 -0.89 -0.12 -2.00 0.00 0.00 0.00 175.76 172.73 2hi6 s GLU 14 N -3.52 1.81 0.38 0.00 2.12 -1.26 -1.49 118.70 116.73 2hi6 s GLU 14 Ca 0.07 -0.43 -0.12 0.00 0.36 0.00 0.00 54.97 54.86 2hi6 s GLU 14 Cb -0.02 -1.57 0.04 0.00 0.26 0.00 0.00 34.13 32.84 2hi6 s GLU 14 CO -0.03 -0.05 0.70 0.20 -0.54 0.00 0.00 175.26 175.54 2hi6 s GLY 15 N 0.93 0.70 0.28 -1.50 0.00 -1.13 -5.04 107.32 101.55 2hi6 s GLY 15 Ca -0.09 -0.98 -0.29 0.00 0.00 0.00 0.00 44.72 43.36 2hi6 s GLY 15 CO 0.00 -0.51 1.10 1.85 0.00 0.00 0.00 173.10 175.54 2hi6 s GLU 16 N -2.49 4.64 -0.17 2.90 2.12 -1.26 -2.07 118.70 122.37 2hi6 s GLU 16 Ca 0.20 1.80 -0.29 0.00 0.36 0.00 0.00 54.97 57.04 2hi6 s GLU 16 Cb -0.04 -3.19 -0.00 0.00 0.26 0.00 0.00 34.13 31.16 2hi6 s GLU 16 CO 0.14 0.21 1.00 0.00 -0.54 0.00 0.00 175.26 176.07 2hi6 s ALA 17 N -1.13 3.54 -0.22 6.30 0.00 0.11 -0.13 121.76 130.23 2hi6 s ALA 17 Ca 0.45 0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.65 2hi6 s ALA 17 Cb -0.32 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.37 2hi6 s ALA 17 CO 0.41 -0.80 -0.13 -1.17 0.00 0.00 0.00 175.76 174.07 2hi6 s LEU 18 N 2.55 2.72 -0.23 0.00 0.20 0.94 -0.72 118.68 124.14 2hi6 s LEU 18 Ca 0.45 -0.79 -0.09 0.00 0.69 0.00 0.00 54.13 54.38 2hi6 s LEU 18 Cb -0.17 -1.58 -0.05 0.00 -0.43 0.00 0.00 46.19 43.97 2hi6 s LEU 18 CO 0.12 -0.07 0.13 0.54 -0.29 0.00 0.00 176.35 176.78 2hi6 s VAL 19 N 1.30 5.10 -0.73 1.68 0.11 -1.26 -0.78 120.40 125.82 2hi6 s VAL 19 Ca 0.02 0.09 -0.17 0.00 -2.93 0.00 0.00 61.98 58.98 2hi6 s VAL 19 Cb -0.15 -3.37 0.15 0.00 -1.53 0.00 0.00 36.38 31.48 2hi6 s VAL 19 CO -0.08 0.36 0.79 -0.89 -3.33 0.00 0.00 175.10 171.95 2hi6 s THR 20 N 1.04 5.07 -1.82 5.04 2.01 -0.15 -4.85 115.64 121.98 2hi6 s THR 20 Ca 0.06 -1.59 0.30 0.00 0.31 0.00 0.00 61.69 60.78 2hi6 s THR 20 Cb -0.14 -4.53 0.66 0.00 0.01 0.00 0.00 72.50 68.50 2hi6 s THR 20 CO 0.04 -1.16 2.04 2.29 -0.69 0.00 0.00 174.62 177.14 2hi6 n LYS 21 N 5.60 0.85 -3.97 4.92 2.85 -1.26 -4.46 118.16 122.69 2hi6 n LYS 21 Ca 0.04 -0.16 -0.35 0.00 -1.05 0.00 0.00 58.31 56.79 2hi6 n LYS 21 Cb 0.45 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.24 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 -2.26 3.98 -0.72 -1.58 0.41 -1.26 -5.04 118.70 112.22 2hi6 s GLU 22 Ca 0.37 -0.32 -0.24 0.00 -0.41 0.00 0.00 54.97 54.38 2hi6 s GLU 22 Cb 0.21 -3.24 0.06 0.00 -1.78 0.00 0.00 34.13 29.38 2hi6 s GLU 22 CO 0.42 0.30 1.10 0.71 -0.49 0.00 0.00 175.26 177.30 2hi6 s TYR 23 N 0.30 2.56 0.44 1.61 1.51 -1.26 -4.97 117.35 117.55 2hi6 s TYR 23 Ca 0.04 -0.45 0.05 0.00 -1.01 0.00 0.00 57.07 55.70 2hi6 s TYR 23 Cb -0.12 -4.42 -0.05 0.00 -0.11 0.00 0.00 41.96 37.25 2hi6 s TYR 23 CO -0.00 -1.80 0.04 0.96 -1.11 0.00 0.00 175.55 173.64 2hi6 s ILE 24 N 4.57 1.79 -0.17 2.71 -5.25 -1.26 -4.91 121.20 118.68 2hi6 s ILE 24 Ca 0.28 -1.95 -0.29 0.00 -0.99 0.00 0.00 60.65 57.70 2hi6 s ILE 24 Cb -0.12 -2.74 -0.00 0.00 2.95 0.00 0.00 42.46 42.55 2hi6 s ILE 24 CO 0.10 0.00 1.05 -0.94 -1.79 0.00 0.00 174.94 173.35 2hi6 s SER 25 N -3.80 7.15 -0.13 4.36 1.04 -1.26 -4.07 113.70 116.98 2hi6 s SER 25 Ca 0.27 1.48 0.01 0.00 0.48 0.00 0.00 55.95 58.19 2hi6 s SER 25 Cb 0.07 -2.55 0.18 0.00 0.10 0.00 0.00 66.02 63.81 2hi6 s SER 25 CO 0.14 -0.58 1.35 0.33 0.98 0.00 0.00 173.24 175.46 2hi6 n PHE 26 N 5.76 0.85 0.24 5.02 7.35 -1.26 -4.01 117.46 131.42 2hi6 n PHE 26 Ca 0.11 -0.96 0.12 0.00 -0.76 0.00 0.00 57.45 55.96 2hi6 n PHE 26 Cb 0.47 -0.48 0.59 0.00 0.35 0.00 0.00 39.48 40.40 2hi6 n PHE 26 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2hi6 h LEU 27 N 1.22 0.00 0.00 -2.13 7.12 -1.91 -3.39 115.31 116.22 2hi6 h LEU 27 Ca 0.17 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.18 2hi6 h LEU 27 Cb 1.44 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.57 2hi6 h LEU 27 CO 0.32 0.17 0.00 0.61 -0.13 0.00 0.00 178.44 179.41 2hi6 n GLY 28 N -0.17 -1.32 1.57 3.75 0.00 -1.26 -4.94 105.19 102.83 2hi6 n GLY 28 Ca -0.01 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2hi6 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hi6 n GLY 29 N 0.00 2.44 3.71 -0.02 0.00 -1.26 -4.96 105.19 105.10 2hi6 n GLY 29 Ca 0.00 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 5.06 0.25 -0.61 1.09 -1.26 0.66 121.20 126.39 2hi6 s ILE 30 Ca 0.00 1.36 -0.30 0.00 -1.10 0.00 0.00 60.65 60.61 2hi6 s ILE 30 Cb 0.00 -4.00 -0.09 0.00 -1.06 0.00 0.00 42.46 37.30 2hi6 s ILE 30 CO 0.00 0.24 0.98 -0.62 -0.10 0.00 0.00 174.94 175.44 2hi6 s ASP 31 N 0.82 7.55 0.49 3.58 2.15 -0.64 -4.91 116.67 125.70 2hi6 s ASP 31 Ca 0.35 2.03 0.23 0.00 0.43 0.00 0.00 52.55 55.60 2hi6 s ASP 31 Cb -0.17 -2.61 1.29 0.00 -0.30 0.00 0.00 42.92 41.12 2hi6 s ASP 31 CO 0.16 0.08 2.03 0.07 -0.17 0.00 0.00 175.17 177.35 2hi6 h LYS 32 N 4.08 0.00 0.02 4.34 -0.00 -1.96 -0.12 116.57 122.92 2hi6 h LYS 32 Ca -0.45 0.00 -0.37 0.00 -0.00 0.00 0.00 60.65 59.83 2hi6 h LYS 32 Cb 1.20 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 33.38 2hi6 h LYS 32 CO 0.68 0.15 -2.06 0.39 -0.00 0.00 0.00 179.45 178.61 2hi6 n GLU 33 N -3.82 0.62 -0.01 0.07 1.02 -1.26 -4.62 120.64 112.64 2hi6 n GLU 33 Ca -0.02 0.34 0.09 0.00 -0.02 0.00 0.00 57.16 57.56 2hi6 n GLU 33 Cb 0.25 -1.61 -0.14 0.00 -0.02 0.00 0.00 31.44 29.92 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 -4.03 0.00 -1.20 2.62 -2.24 -1.24 -4.93 114.28 103.26 2hi6 n THR 34 Ca -0.43 -0.40 -0.06 0.00 -2.27 0.00 0.00 64.05 60.89 2hi6 n THR 34 Cb 0.87 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 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 1.44 0.86 3.74 3.38 0.00 -0.06 -4.83 105.19 109.72 2hi6 n GLY 35 Ca -0.03 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.24 4.94 -0.38 -0.61 -1.09 -1.26 -1.34 121.20 119.22 2hi6 s ILE 36 Ca 0.00 1.35 -0.29 0.00 -2.23 0.00 0.00 60.65 59.48 2hi6 s ILE 36 Cb 0.00 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 2hi6 s ILE 36 CO 0.00 0.35 1.44 0.68 -1.23 0.00 0.00 174.94 176.18 2hi6 s VAL 37 N 0.19 3.89 -0.93 2.92 -7.23 -0.41 -1.63 120.40 117.21 2hi6 s VAL 37 Ca 0.34 0.93 0.24 0.00 -1.81 0.00 0.00 61.98 61.68 2hi6 s VAL 37 Cb -0.18 -4.13 -0.04 0.00 0.56 0.00 0.00 36.38 32.59 2hi6 s VAL 37 CO 0.18 -0.67 1.30 0.29 -0.31 0.00 0.00 175.10 175.89 2hi6 n LYS 38 N 7.97 0.05 -2.08 4.82 5.02 0.21 -2.07 118.16 132.09 2hi6 n LYS 38 Ca 0.17 0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 56.06 2hi6 n LYS 38 Cb 0.48 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 2hi6 n LYS 38 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2hi6 s GLU 39 N -3.03 4.32 0.13 1.97 2.56 -1.24 -4.92 118.70 118.48 2hi6 s GLU 39 Ca 0.09 2.25 -0.31 0.00 0.00 0.00 0.00 54.97 57.00 2hi6 s GLU 39 Cb 0.17 -3.08 -0.08 0.00 2.00 0.00 0.00 34.13 33.14 2hi6 s GLU 39 CO 0.74 -0.27 1.32 0.34 -0.56 0.00 0.00 175.26 176.82 2hi6 s ASP 40 N -0.18 6.91 0.00 -1.70 2.15 -1.26 -4.36 116.67 118.23 2hi6 s ASP 40 Ca 0.52 2.28 0.00 0.00 0.43 0.00 0.00 52.55 55.78 2hi6 s ASP 40 Cb -0.40 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.62 2hi6 s ASP 40 CO 0.50 -0.57 0.00 0.00 -0.17 0.00 0.00 175.17 174.93 2hi6 n GLU 42 N -0.22 0.07 0.00 0.00 4.71 -1.26 -2.93 120.64 121.00 2hi6 n GLU 42 Ca 0.00 0.02 0.11 0.00 -0.01 0.00 0.00 57.16 57.28 2hi6 n GLU 42 Cb 0.00 -1.50 0.12 0.00 -1.01 0.00 0.00 31.44 29.05 2hi6 n GLU 42 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 2hi6 n ILE 43 N -1.46 0.00 -1.68 -3.67 5.41 -1.26 -4.94 119.36 111.76 2hi6 n ILE 43 Ca 0.08 -0.04 -0.45 0.00 1.00 0.00 0.00 62.75 63.34 2hi6 n ILE 43 Cb 0.31 0.61 -0.04 0.00 -0.71 0.00 0.00 39.64 39.81 2hi6 n ILE 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2hi6 n LYS 44 N -1.24 2.39 0.00 0.38 0.00 -1.15 -1.15 118.16 117.39 2hi6 n LYS 44 Ca 0.06 0.87 0.00 0.00 0.00 0.00 0.00 58.31 59.24 2hi6 n LYS 44 Cb 0.35 -2.70 0.00 0.00 0.00 0.00 0.00 35.03 32.68 2hi6 n LYS 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hi6 n GLY 45 N 3.96 2.06 3.76 3.14 0.00 -0.88 -4.99 105.19 112.23 2hi6 n GLY 45 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.19 1.86 -0.14 1.61 0.41 -0.30 -4.74 118.70 117.22 2hi6 s GLU 46 Ca 0.00 0.91 0.01 0.00 -0.41 0.00 0.00 54.97 55.48 2hi6 s GLU 46 Cb 0.00 -1.87 -0.00 0.00 -1.78 0.00 0.00 34.13 30.48 2hi6 s GLU 46 CO 0.00 -1.84 -0.17 -1.54 -0.49 0.00 0.00 175.26 171.22 2hi6 s SER 47 N -3.53 3.58 0.00 -0.19 1.04 -1.26 -1.29 113.70 112.05 2hi6 s SER 47 Ca 0.62 -0.47 0.25 0.00 0.48 0.00 0.00 55.95 56.83 2hi6 s SER 47 Cb -0.17 -1.53 1.08 0.00 0.10 0.00 0.00 66.02 65.50 2hi6 s SER 47 CO 0.56 0.11 1.75 1.33 0.98 0.00 0.00 173.24 177.97 2hi6 n VAL 48 N 3.86 0.07 -1.98 5.02 0.24 -0.45 -4.71 118.33 120.38 2hi6 n VAL 48 Ca -0.19 -0.22 -0.25 0.00 -2.04 0.00 0.00 64.34 61.64 2hi6 n VAL 48 Cb 0.52 0.24 -0.06 0.00 -1.47 0.00 0.00 33.84 33.08 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 1.52 0.00 2.33 0.00 -1.24 -1.61 121.76 120.82 2hi6 s ALA 49 Ca 0.37 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2hi6 s ALA 49 Cb 0.19 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.73 2hi6 s ALA 49 CO 0.30 -5.10 0.00 0.41 0.00 0.00 0.00 175.76 171.37 2hi6 n GLY 50 N 6.65 1.20 3.79 0.00 0.00 -0.99 -4.96 105.19 110.88 2hi6 n GLY 50 Ca 0.42 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 2hi6 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hi6 s ARG 51 N -0.57 2.87 -0.30 1.61 1.81 -0.64 -4.14 118.95 119.59 2hi6 s ARG 51 Ca 0.00 -0.93 -0.10 0.00 -1.72 0.00 0.00 55.73 52.98 2hi6 s ARG 51 Cb 0.00 -2.60 -0.02 0.00 -0.45 0.00 0.00 34.95 31.88 2hi6 s ARG 51 CO 0.00 0.46 0.16 0.42 -0.68 0.00 0.00 175.30 175.66 2hi6 s ILE 52 N -1.84 4.74 -0.20 1.52 1.01 0.81 -0.40 121.20 126.84 2hi6 s ILE 52 Ca 0.31 -0.30 -0.17 0.00 0.00 0.00 0.00 60.65 60.49 2hi6 s ILE 52 Cb -0.09 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 2hi6 s ILE 52 CO 0.23 0.11 0.46 -0.76 0.00 0.00 0.00 174.94 174.98 2hi6 s LEU 53 N 1.65 4.15 -0.29 2.97 1.02 -0.16 -0.04 118.68 127.97 2hi6 s LEU 53 Ca 0.05 0.60 0.01 0.00 0.02 0.00 0.00 54.13 54.82 2hi6 s LEU 53 Cb -0.17 -2.62 0.07 0.00 0.02 0.00 0.00 46.19 43.49 2hi6 s LEU 53 CO 0.07 -0.13 -0.03 -0.69 0.02 0.00 0.00 176.35 175.59 2hi6 s VAL 54 N 1.45 2.51 0.06 -1.59 1.01 0.04 -1.75 120.40 122.15 2hi6 s VAL 54 Ca 0.22 -1.69 0.02 0.00 0.00 0.00 0.00 61.98 60.53 2hi6 s VAL 54 Cb -0.15 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2hi6 s VAL 54 CO 0.09 -0.18 -0.08 0.72 0.00 0.00 0.00 175.10 175.65 2hi6 s PHE 55 N 1.12 0.77 0.04 5.22 -0.71 -1.17 -0.98 117.98 122.28 2hi6 s PHE 55 Ca -0.04 -0.65 -0.24 0.00 -1.04 0.00 0.00 56.93 54.96 2hi6 s PHE 55 Cb -0.20 -0.46 -0.17 0.00 -1.21 0.00 0.00 43.02 40.99 2hi6 s PHE 55 CO -0.04 -0.10 1.54 -1.35 -1.34 0.00 0.00 175.22 173.93 2hi6 h PRO 56 N 3.93 0.01 -1.36 1.99 0.11 -1.86 -3.34 132.00 131.48 2hi6 h PRO 56 Ca -0.36 -0.00 0.34 0.00 0.11 0.00 0.00 66.00 66.09 2hi6 h PRO 56 Cb 1.19 -0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.17 2hi6 h PRO 56 CO 0.49 0.21 0.87 0.20 -0.21 0.00 0.00 178.00 179.56 2hi6 s GLY 57 N -2.61 -0.43 -0.46 -0.55 0.00 -1.26 -3.29 107.32 98.72 2hi6 s GLY 57 Ca -0.14 0.74 0.04 0.00 0.00 0.00 0.00 44.72 45.36 2hi6 s GLY 57 CO 0.67 0.23 1.48 0.61 0.00 0.00 0.00 173.10 176.09 2hi6 n GLY 58 N -0.50 6.14 2.88 0.20 0.00 -1.26 -4.53 105.19 108.12 2hi6 n GLY 58 Ca -0.09 -2.57 0.00 0.00 0.00 0.00 0.00 46.02 43.37 2hi6 n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hi6 n LYS 59 N -0.73 -1.39 -3.01 1.61 5.02 -1.26 -2.49 118.16 115.92 2hi6 n LYS 59 Ca 0.49 0.35 -0.12 0.00 -2.02 0.00 0.00 58.31 57.01 2hi6 n LYS 59 Cb 0.79 -4.50 0.05 0.00 -0.02 0.00 0.00 35.03 31.34 2hi6 n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hi6 n GLY 60 N -0.11 0.09 3.68 0.72 0.00 -1.26 -5.00 105.19 103.29 2hi6 n GLY 60 Ca 0.00 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 2hi6 n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hi6 s SER 61 N -3.36 6.58 -1.29 1.61 1.04 -1.04 -4.99 113.70 112.26 2hi6 s SER 61 Ca 0.22 0.70 -0.10 0.00 0.48 0.00 0.00 55.95 57.25 2hi6 s SER 61 Cb -0.10 -2.29 0.16 0.00 0.10 0.00 0.00 66.02 63.89 2hi6 s SER 61 CO 0.40 -0.13 1.86 0.35 0.98 0.00 0.00 173.24 176.70 2hi6 n THR 62 N 4.33 4.27 -0.37 2.02 -2.24 -1.26 -4.69 114.28 116.34 2hi6 n THR 62 Ca -0.06 -4.33 0.30 0.00 -2.27 0.00 0.00 64.05 57.69 2hi6 n THR 62 Cb 0.51 -2.38 0.60 0.00 -2.10 0.00 0.00 70.33 66.95 2hi6 n THR 62 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2hi6 h VAL 63 N 3.87 0.38 0.00 2.28 3.04 -1.93 -3.45 116.25 120.43 2hi6 h VAL 63 Ca 0.40 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 66.01 2hi6 h VAL 63 Cb 0.66 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.06 2hi6 h VAL 63 CO 1.61 0.04 0.00 0.61 -1.01 0.00 0.00 177.57 178.82 2hi6 n GLY 64 N -1.55 0.41 7.00 3.17 0.00 -1.26 -5.01 105.19 107.95 2hi6 n GLY 64 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2hi6 n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hi6 n SER 65 N 0.00 -1.36 0.00 1.61 3.41 -1.26 -4.84 113.62 111.17 2hi6 n SER 65 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2hi6 n SER 65 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2hi6 n SER 65 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2hi6 n TYR 66 N 0.00 0.00 0.24 7.33 4.01 -1.26 -4.52 117.16 122.97 2hi6 n TYR 66 Ca 0.00 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.90 2hi6 n TYR 66 Cb 0.00 0.00 0.82 0.00 -0.31 0.00 0.00 39.34 39.85 2hi6 n TYR 66 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 2hi6 h VAL 67 N 0.00 0.00 0.00 -0.72 -1.51 -1.94 -0.77 116.25 111.30 2hi6 h VAL 67 Ca 0.00 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.40 2hi6 h VAL 67 Cb 0.00 0.73 -0.01 0.00 -2.13 0.00 0.00 31.29 29.88 2hi6 h VAL 67 CO 0.00 0.00 -0.17 -0.07 -1.23 0.00 0.00 177.57 176.10 2hi6 h LEU 68 N 0.00 0.00 -1.00 4.19 4.07 -1.87 -2.35 115.31 118.35 2hi6 h LEU 68 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 2hi6 h LEU 68 Cb 0.04 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.74 2hi6 h LEU 68 CO 0.00 0.17 0.34 0.25 -1.08 0.00 0.00 178.44 178.12 2hi6 h LEU 69 N 0.00 0.95 -0.30 1.67 5.85 -1.40 -2.15 115.31 119.94 2hi6 h LEU 69 Ca -0.00 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.63 2hi6 h LEU 69 Cb 0.34 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2hi6 h LEU 69 CO 0.02 0.82 0.14 -1.13 -0.34 0.00 0.00 178.44 177.95 2hi6 h ASN 70 N 1.04 0.19 -0.63 1.25 -0.73 -1.59 0.25 115.58 115.35 2hi6 h ASN 70 Ca 0.25 0.02 0.06 0.00 1.87 0.00 0.00 56.30 58.50 2hi6 h ASN 70 Cb 0.13 -0.01 -0.05 0.00 0.27 0.00 0.00 38.32 38.65 2hi6 h ASN 70 CO -0.03 0.15 0.34 -0.07 -0.37 0.00 0.00 177.43 177.45 2hi6 h LEU 71 N 0.29 0.50 -0.17 0.34 3.38 -1.44 -0.40 115.31 117.81 2hi6 h LEU 71 Ca 0.13 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 2hi6 h LEU 71 Cb 0.06 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.75 2hi6 h LEU 71 CO -0.10 0.33 -0.62 -0.09 0.09 0.00 0.00 178.44 178.05 2hi6 h ARG 72 N 0.64 0.72 -0.29 1.13 1.12 -0.87 0.11 114.38 116.93 2hi6 h ARG 72 Ca 0.28 -0.55 -0.02 0.00 -1.11 0.00 0.00 59.98 58.59 2hi6 h ARG 72 Cb 0.18 0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.23 2hi6 h ARG 72 CO -0.18 1.17 0.09 -0.22 -3.11 0.00 0.00 179.97 177.72 2hi6 h LYS 73 N 0.43 0.42 0.00 0.20 3.11 -0.19 -1.91 116.57 118.62 2hi6 h LYS 73 Ca -0.03 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 2hi6 h LYS 73 Cb 1.25 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 2hi6 h LYS 73 CO 0.13 0.37 -0.54 -0.97 -2.81 0.00 0.00 179.45 175.63 2hi6 h ASN 74 N 0.41 0.00 0.00 4.20 -1.24 -0.94 -3.48 115.58 114.54 2hi6 h ASN 74 Ca 0.10 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.10 2hi6 h ASN 74 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.18 2hi6 h ASN 74 CO -0.01 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 2hi6 n GLY 75 N 1.16 0.71 0.52 1.57 0.00 -0.42 -4.95 105.19 103.78 2hi6 n GLY 75 Ca 0.02 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.76 1.29 -2.88 1.61 0.24 0.24 -4.66 118.33 111.41 2hi6 n VAL 76 Ca 0.00 -1.24 -0.25 0.00 -2.04 0.00 0.00 64.34 60.81 2hi6 n VAL 76 Cb 0.11 0.31 0.01 0.00 -1.47 0.00 0.00 33.84 32.80 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 -1.46 3.59 0.54 2.33 0.00 -0.93 -3.63 121.76 122.20 2hi6 s ALA 77 Ca 0.22 -0.84 -0.20 0.00 0.00 0.00 0.00 51.96 51.15 2hi6 s ALA 77 Cb 0.15 -2.31 -0.06 0.00 0.00 0.00 0.00 23.12 20.89 2hi6 s ALA 77 CO 0.10 -0.38 1.13 -1.25 0.00 0.00 0.00 175.76 175.37 2hi6 s PRO 78 N -4.63 3.36 0.32 0.00 0.04 -1.18 -2.36 135.00 130.56 2hi6 s PRO 78 Ca 0.47 1.62 0.11 0.00 0.04 0.00 0.00 61.00 63.24 2hi6 s PRO 78 Cb -0.10 -2.02 0.54 0.00 0.04 0.00 0.00 34.50 32.97 2hi6 s PRO 78 CO 0.40 -0.84 1.73 0.87 0.04 0.00 0.00 177.00 179.20 2hi6 h LYS 79 N 1.22 0.04 -2.24 4.56 1.57 -0.95 -3.46 116.57 117.32 2hi6 h LYS 79 Ca -0.50 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.28 2hi6 h LYS 79 Cb 1.26 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.40 2hi6 h LYS 79 CO 0.57 0.50 0.35 0.00 -0.57 0.00 0.00 179.45 180.31 2hi6 s ALA 80 N -3.98 -1.77 -0.07 3.86 0.00 -1.25 -4.06 121.76 114.49 2hi6 s ALA 80 Ca -0.03 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.03 2hi6 s ALA 80 Cb 0.14 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.47 2hi6 s ALA 80 CO 0.75 -0.55 -0.08 0.42 0.00 0.00 0.00 175.76 176.30 2hi6 s ILE 81 N -2.36 0.88 -0.18 0.00 1.01 0.12 -0.99 121.20 119.67 2hi6 s ILE 81 Ca -0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 60.65 60.34 2hi6 s ILE 81 Cb -0.01 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.62 2hi6 s ILE 81 CO -0.03 0.31 -0.16 -0.63 0.00 0.00 0.00 174.94 174.43 2hi6 s ILE 82 N 1.03 2.41 0.33 2.92 -1.09 -0.71 -2.65 121.20 123.43 2hi6 s ILE 82 Ca -0.08 -0.83 0.10 0.00 -2.23 0.00 0.00 60.65 57.61 2hi6 s ILE 82 Cb -0.14 -2.03 -0.06 0.00 -1.58 0.00 0.00 42.46 38.64 2hi6 s ILE 82 CO -0.00 0.51 -0.12 0.20 -1.23 0.00 0.00 174.94 174.30 2hi6 s ASN 83 N 1.26 3.70 -0.06 3.58 0.02 -0.59 -3.03 114.94 119.83 2hi6 s ASN 83 Ca 0.04 -1.17 -0.24 0.00 -1.02 0.00 0.00 52.86 50.47 2hi6 s ASN 83 Cb -0.14 -0.34 -0.28 0.00 0.02 0.00 0.00 41.25 40.51 2hi6 s ASN 83 CO -0.09 -0.16 0.90 0.50 0.02 0.00 0.00 177.10 178.28 2hi6 h LYS 84 N 2.07 0.23 -4.39 -0.60 3.64 -1.67 0.20 116.57 116.05 2hi6 h LYS 84 Ca -0.42 -0.35 -0.60 0.00 -1.27 0.00 0.00 60.65 58.01 2hi6 h LYS 84 Cb 1.25 0.12 -0.38 0.00 -0.41 0.00 0.00 32.23 32.82 2hi6 h LYS 84 CO 0.68 1.14 -0.80 -1.59 -2.27 0.00 0.00 179.45 176.61 2hi6 s LYS 85 N -2.54 1.73 -0.33 1.90 -2.85 -1.25 -4.04 119.74 112.36 2hi6 s LYS 85 Ca -0.15 -0.84 -0.19 0.00 -1.00 0.00 0.00 55.97 53.79 2hi6 s LYS 85 Cb 0.00 -2.41 -0.01 0.00 -2.06 0.00 0.00 37.83 33.35 2hi6 s LYS 85 CO 0.79 -0.50 0.55 -0.08 0.10 0.00 0.00 175.35 176.21 2hi6 s THR 86 N 1.45 4.99 0.41 3.79 -1.32 -1.26 -4.88 115.64 118.82 2hi6 s THR 86 Ca -0.03 0.57 0.06 0.00 -1.21 0.00 0.00 61.69 61.08 2hi6 s THR 86 Cb -0.17 -3.96 0.01 0.00 -1.51 0.00 0.00 72.50 66.87 2hi6 s THR 86 CO -0.07 -0.16 0.57 -1.61 -2.21 0.00 0.00 174.62 171.14 2hi6 s GLU 87 N 2.46 2.91 0.18 7.08 2.02 -1.26 -4.87 118.70 127.22 2hi6 s GLU 87 Ca 0.21 -1.04 -0.14 0.00 0.02 0.00 0.00 54.97 54.03 2hi6 s GLU 87 Cb -0.15 -2.73 0.16 0.00 0.10 0.00 0.00 34.13 31.52 2hi6 s GLU 87 CO 0.13 -0.22 1.72 1.15 0.02 0.00 0.00 175.26 178.06 2hi6 h THR 88 N 0.63 0.74 -0.53 3.63 2.02 -1.98 0.49 112.91 117.91 2hi6 h THR 88 Ca -0.43 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 66.74 2hi6 h THR 88 Cb 1.27 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 68.12 2hi6 h THR 88 CO 0.50 0.04 0.22 0.16 0.37 0.00 0.00 175.52 176.81 2hi6 h ILE 89 N 0.23 0.86 0.05 3.11 3.07 -1.97 -0.57 117.51 122.28 2hi6 h ILE 89 Ca 0.23 -0.14 -0.27 0.00 1.55 0.00 0.00 64.86 66.23 2hi6 h ILE 89 Cb 0.30 0.40 0.02 0.00 -0.27 0.00 0.00 36.82 37.27 2hi6 h ILE 89 CO -0.30 0.08 -1.08 0.40 -1.05 0.00 0.00 178.15 176.20 2hi6 h ILE 90 N 0.42 1.30 0.03 0.16 2.04 -1.79 -2.72 117.51 116.96 2hi6 h ILE 90 Ca 0.25 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.80 2hi6 h ILE 90 Cb 0.25 2.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.87 2hi6 h ILE 90 CO -0.23 0.71 -0.04 0.00 0.00 0.00 0.00 178.15 178.59 2hi6 h ALA 91 N 0.34 -0.07 -0.53 1.87 0.00 -0.62 -0.24 119.26 120.00 2hi6 h ALA 91 Ca -0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2hi6 h ALA 91 Cb 1.75 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 2hi6 h ALA 91 CO 0.21 -0.55 0.11 0.28 0.00 0.00 0.00 179.25 179.30 2hi6 h VAL 92 N -0.08 1.25 -0.41 0.00 2.07 -1.21 -0.67 116.25 117.20 2hi6 h VAL 92 Ca 0.00 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2hi6 h VAL 92 Cb 0.08 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2hi6 h VAL 92 CO -0.01 0.33 0.23 1.23 0.02 0.00 0.00 177.57 179.37 2hi6 h GLY 93 N 0.76 0.61 1.75 2.17 0.00 -1.25 -2.48 103.07 104.64 2hi6 h GLY 93 Ca 0.17 -0.27 -0.17 0.00 0.00 0.00 0.00 47.33 47.06 2hi6 h GLY 93 CO 0.01 0.26 -0.74 0.00 0.00 0.00 0.00 176.54 176.07 2hi6 h ALA 94 N 1.09 0.68 -0.76 3.60 0.00 -0.96 -2.81 119.26 120.11 2hi6 h ALA 94 Ca 0.15 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2hi6 h ALA 94 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2hi6 h ALA 94 CO -0.02 0.81 0.26 0.00 0.00 0.00 0.00 179.25 180.29 2hi6 h ALA 95 N 1.07 0.99 -0.08 0.00 0.00 -0.95 0.17 119.26 120.45 2hi6 h ALA 95 Ca -0.03 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 2hi6 h ALA 95 Cb 1.30 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2hi6 h ALA 95 CO 0.11 0.66 -0.60 0.52 0.00 0.00 0.00 179.25 179.94 2hi6 h MET 96 N 1.12 0.56 0.00 0.00 2.86 -1.45 -3.21 114.93 114.81 2hi6 h MET 96 Ca 0.25 -0.49 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2hi6 h MET 96 Cb 0.28 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2hi6 h MET 96 CO -0.01 1.11 0.00 0.00 1.06 0.00 0.00 176.91 179.07 2hi6 n ALA 97 N -2.57 1.93 -2.23 6.32 0.00 -1.06 -4.92 120.51 117.97 2hi6 n ALA 97 Ca -0.09 0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 2hi6 n ALA 97 Cb 0.66 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.26 -0.95 -3.90 0.00 2.13 -0.43 -4.84 120.64 110.39 2hi6 n GLU 98 Ca 0.04 0.36 -0.30 0.00 0.66 0.00 0.00 57.16 57.92 2hi6 n GLU 98 Cb 0.32 -3.30 -0.14 0.00 0.27 0.00 0.00 31.44 28.59 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 -3.16 2.37 -0.57 6.31 1.01 0.46 -5.02 121.20 122.60 2hi6 s ILE 99 Ca 0.19 -3.24 -0.37 0.00 0.00 0.00 0.00 60.65 57.23 2hi6 s ILE 99 Cb -0.02 -2.64 -0.18 0.00 0.01 0.00 0.00 42.46 39.62 2hi6 s ILE 99 CO 0.31 -0.83 2.08 -2.65 0.00 0.00 0.00 174.94 173.85 2hi6 n PRO 100 N 3.11 0.00 -3.99 2.79 -0.02 -1.26 -4.61 135.00 131.03 2hi6 n PRO 100 Ca 0.07 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.27 2hi6 n PRO 100 Cb 0.33 -1.37 -0.17 0.00 -0.02 0.00 0.00 33.50 32.27 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 6.16 1.34 0.21 2.45 2.96 -1.25 0.12 118.68 130.67 2hi6 s LEU 101 Ca 1.13 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.71 2hi6 s LEU 101 Cb -1.32 -0.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 2hi6 s LEU 101 CO 0.57 -0.09 0.04 0.68 -1.32 0.00 0.00 176.35 176.23 2hi6 s VAL 102 N 1.58 0.59 -0.03 1.68 -7.23 -1.09 -2.72 120.40 113.18 2hi6 s VAL 102 Ca 0.04 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.26 2hi6 s VAL 102 Cb -0.13 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 2hi6 s VAL 102 CO -0.08 -0.28 -0.13 -1.83 -0.31 0.00 0.00 175.10 172.47 2hi6 s GLU 103 N -3.97 2.48 -0.08 4.82 -1.05 -1.15 -1.54 118.70 118.22 2hi6 s GLU 103 Ca 0.30 -0.72 -0.02 0.00 -0.15 0.00 0.00 54.97 54.38 2hi6 s GLU 103 Cb 0.07 -2.39 -0.03 0.00 -0.44 0.00 0.00 34.13 31.33 2hi6 s GLU 103 CO 0.08 0.62 0.03 0.14 0.95 0.00 0.00 175.26 177.07 2hi6 s VAL 104 N -0.80 4.50 -0.11 1.83 -7.23 0.06 -0.82 120.40 117.83 2hi6 s VAL 104 Ca 0.13 -0.22 0.16 0.00 -1.81 0.00 0.00 61.98 60.23 2hi6 s VAL 104 Cb -0.11 -2.92 -0.13 0.00 0.56 0.00 0.00 36.38 33.79 2hi6 s VAL 104 CO 0.02 0.57 0.89 -0.09 -0.31 0.00 0.00 175.10 176.18 2hi6 h ARG 105 N 4.99 0.00 -5.94 4.82 9.65 -1.85 -3.41 114.38 122.64 2hi6 h ARG 105 Ca -0.51 0.00 -0.68 0.00 -1.10 0.00 0.00 59.98 57.69 2hi6 h ARG 105 Cb 1.20 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.63 2hi6 h ARG 105 CO 0.56 0.36 -0.61 0.34 2.80 0.00 0.00 179.97 183.41 2hi6 s ASP 106 N -5.92 5.36 0.52 -3.80 -1.08 -1.26 -4.99 116.67 105.50 2hi6 s ASP 106 Ca -0.02 0.18 0.31 0.00 -0.52 0.00 0.00 52.55 52.49 2hi6 s ASP 106 Cb 0.09 -1.54 1.20 0.00 -1.46 0.00 0.00 42.92 41.21 2hi6 s ASP 106 CO 0.81 0.38 1.92 -0.08 0.52 0.00 0.00 175.17 178.72 2hi6 h GLU 107 N 5.12 0.00 0.00 4.34 4.57 -2.02 -3.03 114.58 123.56 2hi6 h GLU 107 Ca -0.51 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2hi6 h GLU 107 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2hi6 h GLU 107 CO 0.55 0.05 0.00 0.87 -1.18 0.00 0.00 179.01 179.30 2hi6 h LYS 108 N 0.00 0.00 -0.40 1.92 1.57 -1.97 -0.76 116.57 116.92 2hi6 h LYS 108 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hi6 h LYS 108 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 2hi6 h LYS 108 CO 0.01 0.00 0.25 0.35 -0.57 0.00 0.00 179.45 179.49 2hi6 h PHE 109 N 0.00 0.52 0.00 -1.35 3.57 -1.97 -0.52 116.94 117.20 2hi6 h PHE 109 Ca 0.00 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 2hi6 h PHE 109 Cb 0.22 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2hi6 h PHE 109 CO 0.00 0.36 -0.86 0.74 -2.23 0.00 0.00 178.31 176.32 2hi6 h PHE 110 N 0.53 0.22 -0.46 0.41 0.04 -1.41 -2.11 116.94 114.16 2hi6 h PHE 110 Ca 0.15 -0.12 0.04 0.00 2.80 0.00 0.00 57.97 60.83 2hi6 h PHE 110 Cb -0.02 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.07 2hi6 h PHE 110 CO -0.04 0.94 0.23 1.49 -0.60 0.00 0.00 178.31 180.32 2hi6 h GLU 111 N 0.08 0.43 0.00 1.51 4.81 -0.96 -3.12 114.58 117.34 2hi6 h GLU 111 Ca -0.04 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.04 2hi6 h GLU 111 Cb 1.49 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.75 2hi6 h GLU 111 CO 0.13 0.29 -1.13 0.00 -0.73 0.00 0.00 179.01 177.57 2hi6 h ALA 112 N 1.26 0.64 -2.78 2.92 0.00 -1.08 -3.47 119.26 116.75 2hi6 h ALA 112 Ca 0.20 -0.62 -0.50 0.00 0.00 0.00 0.00 54.91 54.00 2hi6 h ALA 112 Cb 0.12 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2hi6 h ALA 112 CO -0.15 0.70 0.44 0.54 0.00 0.00 0.00 179.25 180.78 2hi6 s VAL 113 N -3.00 3.68 0.06 0.00 0.11 -0.80 -5.05 120.40 115.40 2hi6 s VAL 113 Ca -0.01 1.68 -0.00 0.00 -2.93 0.00 0.00 61.98 60.71 2hi6 s VAL 113 Cb 0.08 -4.07 -0.04 0.00 -1.53 0.00 0.00 36.38 30.83 2hi6 s VAL 113 CO 0.79 0.39 -0.04 -0.54 -3.33 0.00 0.00 175.10 172.38 2hi6 s LYS 114 N -1.29 0.63 0.18 1.54 1.02 -1.26 -4.94 119.74 115.63 2hi6 s LYS 114 Ca 0.44 -1.20 -0.28 0.00 0.02 0.00 0.00 55.97 54.95 2hi6 s LYS 114 Cb -0.30 0.12 -0.08 0.00 -0.52 0.00 0.00 37.83 37.05 2hi6 s LYS 114 CO 0.38 -0.09 0.88 -0.08 -0.92 0.00 0.00 175.35 175.52 2hi6 s THR 115 N -3.68 4.29 0.00 2.17 -1.32 -1.26 -3.89 115.64 111.95 2hi6 s THR 115 Ca 0.06 1.93 0.00 0.00 -1.21 0.00 0.00 61.69 62.47 2hi6 s THR 115 Cb 0.06 -4.25 0.00 0.00 -1.51 0.00 0.00 72.50 66.80 2hi6 s THR 115 CO -0.08 0.47 0.00 0.61 -2.21 0.00 0.00 174.62 173.40 2hi6 n GLY 116 N 1.73 1.60 0.70 6.08 0.00 0.10 -5.00 105.19 110.41 2hi6 n GLY 116 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 2hi6 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hi6 n ASP 117 N 0.00 0.12 -4.38 1.61 8.00 -1.25 -4.72 116.55 115.93 2hi6 n ASP 117 Ca 0.00 -1.14 -0.33 0.00 0.71 0.00 0.00 54.79 54.04 2hi6 n ASP 117 Cb 0.00 -0.16 -0.14 0.00 -0.02 0.00 0.00 41.12 40.80 2hi6 n ASP 117 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2hi6 s ARG 118 N -3.25 2.98 -0.09 -1.24 3.52 -1.13 0.08 118.95 119.81 2hi6 s ARG 118 Ca 0.13 -0.73 0.03 0.00 -0.13 0.00 0.00 55.73 55.03 2hi6 s ARG 118 Cb -0.00 -2.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.92 2hi6 s ARG 118 CO 0.09 0.36 -0.20 0.08 -0.81 0.00 0.00 175.30 174.81 2hi6 s VAL 119 N -0.05 1.79 -0.35 7.11 1.01 -0.88 -1.69 120.40 127.34 2hi6 s VAL 119 Ca -0.04 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 2hi6 s VAL 119 Cb -0.14 -1.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 2hi6 s VAL 119 CO 0.04 0.50 0.22 -0.69 0.00 0.00 0.00 175.10 175.17 2hi6 s VAL 120 N 0.48 4.98 -0.16 2.92 1.01 0.11 -2.84 120.40 126.90 2hi6 s VAL 120 Ca -0.17 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2hi6 s VAL 120 Cb -0.17 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2hi6 s VAL 120 CO 0.06 -0.08 -0.01 -0.69 0.00 0.00 0.00 175.10 174.38 2hi6 s VAL 121 N 1.66 4.10 -0.31 2.92 1.01 -0.56 -0.51 120.40 128.72 2hi6 s VAL 121 Ca 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 2hi6 s VAL 121 Cb -0.18 -2.81 0.10 0.00 0.00 0.00 0.00 36.38 33.49 2hi6 s VAL 121 CO 0.09 0.48 0.09 0.21 0.00 0.00 0.00 175.10 175.97 2hi6 s ASN 122 N 0.39 4.03 0.08 3.32 2.47 0.04 -1.29 114.94 123.98 2hi6 s ASN 122 Ca -0.02 -1.63 0.26 0.00 0.42 0.00 0.00 52.86 51.90 2hi6 s ASN 122 Cb -0.14 -0.90 0.79 0.00 -1.45 0.00 0.00 41.25 39.56 2hi6 s ASN 122 CO 0.02 -0.41 1.66 0.00 -3.72 0.00 0.00 177.10 174.65 2hi6 n ALA 123 N 4.82 2.69 1.18 1.71 0.00 0.27 -1.28 120.51 129.91 2hi6 n ALA 123 Ca -0.02 -0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.39 2hi6 n ALA 123 Cb 0.42 -1.34 0.67 0.00 0.00 0.00 0.00 19.45 19.21 2hi6 n ALA 123 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2hi6 n ASP 124 N -1.82 0.00 0.00 0.00 8.00 -1.24 -3.71 116.55 117.78 2hi6 n ASP 124 Ca 0.06 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.71 2hi6 n ASP 124 Cb 0.38 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2hi6 n ASP 124 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2hi6 n GLU 125 N -1.38 2.48 -1.65 -1.24 2.13 -1.17 -5.03 120.64 114.76 2hi6 n GLU 125 Ca 0.11 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.91 2hi6 n GLU 125 Cb 0.27 -0.79 0.01 0.00 0.27 0.00 0.00 31.44 31.20 2hi6 n GLU 125 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hi6 n GLY 126 N 1.51 0.74 2.94 8.31 0.00 -0.44 -4.81 105.19 113.44 2hi6 n GLY 126 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.03 -0.11 -0.04 1.61 5.04 -0.41 -2.68 117.35 117.72 2hi6 s TYR 127 Ca 0.04 0.32 -0.01 0.00 -2.44 0.00 0.00 57.07 54.99 2hi6 s TYR 127 Cb -0.01 -0.03 0.03 0.00 0.35 0.00 0.00 41.96 42.30 2hi6 s TYR 127 CO 0.06 -0.09 0.02 0.54 -1.34 0.00 0.00 175.55 174.74 2hi6 s VAL 128 N 0.53 0.15 -0.18 3.14 0.11 -1.06 -0.78 120.40 122.32 2hi6 s VAL 128 Ca -0.04 0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 59.18 2hi6 s VAL 128 Cb -0.06 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.49 2hi6 s VAL 128 CO -0.02 0.18 -0.13 -0.70 -3.33 0.00 0.00 175.10 171.10 2hi6 s GLU 129 N 1.55 3.21 -0.19 1.54 2.12 0.34 -1.16 118.70 126.12 2hi6 s GLU 129 Ca -0.02 -0.73 -0.06 0.00 0.36 0.00 0.00 54.97 54.52 2hi6 s GLU 129 Cb -0.13 -2.73 -0.03 0.00 0.26 0.00 0.00 34.13 31.50 2hi6 s GLU 129 CO -0.03 -0.10 0.02 -1.17 -0.54 0.00 0.00 175.26 173.44 2hi6 s LEU 130 N 1.13 3.48 -0.15 2.70 2.96 0.18 0.04 118.68 129.02 2hi6 s LEU 130 Ca 0.01 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 2hi6 s LEU 130 Cb -0.14 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.69 2hi6 s LEU 130 CO -0.04 0.12 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.30 2hi6 s ILE 131 N 0.66 1.80 -2.16 6.68 1.09 -0.68 -1.65 121.20 126.94 2hi6 s ILE 131 Ca 0.01 -0.79 0.31 0.00 -1.10 0.00 0.00 60.65 59.07 2hi6 s ILE 131 Cb -0.14 -1.63 0.80 0.00 -1.06 0.00 0.00 42.46 40.43 2hi6 s ILE 131 CO 0.02 0.50 2.08 -1.84 -0.10 0.00 0.00 174.94 175.60