#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1onl s ILE 3 N 0.00 0.52 0.41 5.18 1.01 -1.26 -4.50 121.20 122.56 1onl s ILE 3 Ca 0.00 -2.63 -0.25 0.00 0.00 0.00 0.00 60.65 57.77 1onl s ILE 3 Cb 0.00 -1.37 -0.11 0.00 0.01 0.00 0.00 42.46 40.99 1onl s ILE 3 CO 0.00 -1.18 1.12 -0.81 0.00 0.00 0.00 174.94 174.07 1onl n PRO 4 N 2.98 1.59 -0.97 2.79 -0.04 -1.26 -4.88 135.00 135.22 1onl n PRO 4 Ca 0.26 0.57 -0.13 0.00 -0.04 0.00 0.00 63.50 64.15 1onl n PRO 4 Cb 0.45 -2.16 0.20 0.00 -0.04 0.00 0.00 33.50 31.95 1onl n PRO 4 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1onl n LYS 5 N 0.17 2.66 -0.54 0.54 5.02 -1.26 -4.28 118.16 120.46 1onl n LYS 5 Ca 0.08 -2.58 0.08 0.00 -2.02 0.00 0.00 58.31 53.87 1onl n LYS 5 Cb 0.39 -2.04 0.31 0.00 -0.02 0.00 0.00 35.03 33.66 1onl n LYS 5 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1onl n ASP 6 N -0.52 4.39 -3.79 4.39 5.75 -1.26 -4.91 116.55 120.59 1onl n ASP 6 Ca 0.44 -2.63 -0.09 0.00 -0.01 0.00 0.00 54.79 52.50 1onl n ASP 6 Cb 1.38 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 40.91 1onl n ASP 6 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1onl s ARG 7 N -2.15 1.56 0.53 0.11 3.03 -1.26 -4.62 118.95 116.15 1onl s ARG 7 Ca 0.45 -0.93 -0.07 0.00 2.03 0.00 0.00 55.73 57.20 1onl s ARG 7 Cb 0.31 0.56 -0.04 0.00 -1.03 0.00 0.00 34.95 34.76 1onl s ARG 7 CO 0.17 -0.69 0.87 -0.06 -1.13 0.00 0.00 175.30 174.46 1onl s PHE 8 N -3.90 3.58 0.21 5.89 0.40 -0.71 -4.33 117.98 119.11 1onl s PHE 8 Ca 0.11 0.96 0.04 0.00 -0.60 0.00 0.00 56.93 57.45 1onl s PHE 8 Cb -0.03 -2.45 -0.05 0.00 0.51 0.00 0.00 43.02 41.00 1onl s PHE 8 CO 0.02 -0.42 -0.04 0.71 0.70 0.00 0.00 175.22 176.18 1onl s TYR 9 N -2.89 1.51 0.09 0.36 2.02 0.28 -1.54 117.35 117.18 1onl s TYR 9 Ca 0.50 -0.84 0.08 0.00 -0.37 0.00 0.00 57.07 56.43 1onl s TYR 9 Cb -0.11 -0.84 -0.03 0.00 -0.40 0.00 0.00 41.96 40.58 1onl s TYR 9 CO 0.48 0.04 -0.20 -0.08 -1.57 0.00 0.00 175.55 174.22 1onl s THR 10 N -3.34 1.62 0.39 -0.71 -1.32 0.19 -1.48 115.64 110.99 1onl s THR 10 Ca 0.25 -1.49 0.38 0.00 -1.21 0.00 0.00 61.69 59.62 1onl s THR 10 Cb 0.04 -1.48 0.40 0.00 -1.51 0.00 0.00 72.50 69.96 1onl s THR 10 CO 0.06 -0.07 2.17 0.11 -2.21 0.00 0.00 174.62 174.68 1onl h LYS 11 N 4.15 0.00 -0.94 7.08 1.57 -1.99 -0.80 116.57 125.64 1onl h LYS 11 Ca -0.45 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.17 1onl h LYS 11 Cb 1.18 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.40 1onl h LYS 11 CO 0.40 0.02 0.20 0.25 -0.57 0.00 0.00 179.45 179.75 1onl n THR 12 N -3.16 1.76 -3.67 -0.16 -2.24 -1.26 -4.89 114.28 100.65 1onl n THR 12 Ca -0.01 -0.79 -0.31 0.00 -2.27 0.00 0.00 64.05 60.67 1onl n THR 12 Cb 0.19 -0.64 0.04 0.00 -2.10 0.00 0.00 70.33 67.82 1onl n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1onl n HIS 13 N -0.07 -1.93 -4.19 4.78 8.25 -0.31 -4.99 115.22 116.76 1onl n HIS 13 Ca 0.22 0.48 -0.12 0.00 -0.26 0.00 0.00 57.72 58.05 1onl n HIS 13 Cb 0.92 -3.49 -0.10 0.00 1.12 0.00 0.00 29.99 28.44 1onl n HIS 13 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1onl s GLU 14 N -5.91 0.97 0.08 -0.41 2.02 -1.24 -2.92 118.70 111.28 1onl s GLU 14 Ca 0.46 -1.44 0.03 0.00 0.02 0.00 0.00 54.97 54.03 1onl s GLU 14 Cb -0.16 -0.11 -0.03 0.00 0.10 0.00 0.00 34.13 33.93 1onl s GLU 14 CO 0.86 -0.13 -0.09 1.67 0.02 0.00 0.00 175.26 177.59 1onl s TRP 15 N -3.75 0.90 -0.20 1.61 1.48 -0.04 -0.63 118.94 118.31 1onl s TRP 15 Ca 0.20 -0.64 -0.02 0.00 -1.06 0.00 0.00 56.10 54.58 1onl s TRP 15 Cb 0.06 -0.51 0.06 0.00 -1.16 0.00 0.00 33.47 31.92 1onl s TRP 15 CO 0.00 -0.06 0.00 0.00 -4.06 0.00 0.00 176.95 172.84 1onl s ALA 16 N -2.24 1.29 -0.56 2.67 0.00 -0.59 -2.48 121.76 119.85 1onl s ALA 16 Ca 0.01 -0.86 -0.22 0.00 0.00 0.00 0.00 51.96 50.89 1onl s ALA 16 Cb -0.04 -1.22 0.06 0.00 0.00 0.00 0.00 23.12 21.91 1onl s ALA 16 CO -0.01 -1.11 0.82 -1.17 0.00 0.00 0.00 175.76 174.30 1onl s LEU 17 N 1.72 4.52 0.28 0.00 0.20 0.14 -1.74 118.68 123.81 1onl s LEU 17 Ca -0.02 -0.71 -0.30 0.00 0.69 0.00 0.00 54.13 53.80 1onl s LEU 17 Cb -0.17 -2.60 -0.10 0.00 -0.43 0.00 0.00 46.19 42.88 1onl s LEU 17 CO -0.07 -1.14 1.46 -2.84 -0.29 0.00 0.00 176.35 173.47 1onl s PRO 18 N 3.44 4.23 -0.39 0.98 0.02 -1.26 -0.25 135.00 141.77 1onl s PRO 18 Ca 0.23 2.39 0.05 0.00 0.02 0.00 0.00 61.00 63.69 1onl s PRO 18 Cb -0.16 -3.07 0.17 0.00 0.02 0.00 0.00 34.50 31.46 1onl s PRO 18 CO 0.14 -0.45 0.49 -1.21 -0.33 0.00 0.00 177.00 175.65 1onl s GLU 19 N -0.80 0.72 4.66 5.54 2.02 0.02 -4.91 118.70 125.95 1onl s GLU 19 Ca 0.58 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 55.01 1onl s GLU 19 Cb -0.43 -0.34 0.00 0.00 0.10 0.00 0.00 34.13 33.46 1onl s GLU 19 CO 0.48 -1.19 0.00 0.41 0.02 0.00 0.00 175.26 174.98 1onl n GLY 20 N 4.36 1.29 0.97 -1.39 0.00 -1.26 -2.59 105.19 106.56 1onl n GLY 20 Ca 0.11 -0.73 -0.00 0.00 0.00 0.00 0.00 46.02 45.40 1onl n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1onl n ASP 21 N 2.44 2.45 -3.76 1.61 5.68 -1.26 -4.86 116.55 118.85 1onl n ASP 21 Ca 0.00 -2.28 -0.23 0.00 -0.50 0.00 0.00 54.79 51.78 1onl n ASP 21 Cb 0.00 -0.56 -0.08 0.00 -1.14 0.00 0.00 41.12 39.34 1onl n ASP 21 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1onl s THR 22 N -1.32 0.30 -0.10 2.12 -4.23 -1.07 -4.05 115.64 107.29 1onl s THR 22 Ca 0.14 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.59 1onl s THR 22 Cb 0.11 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.58 1onl s THR 22 CO 0.04 0.00 0.24 0.68 -0.54 0.00 0.00 174.62 175.04 1onl s VAL 23 N -3.33 -0.02 0.40 2.29 -7.23 0.10 -0.80 120.40 111.82 1onl s VAL 23 Ca 0.31 0.07 -0.19 0.00 -1.81 0.00 0.00 61.98 60.37 1onl s VAL 23 Cb 0.02 -0.36 -0.10 0.00 0.56 0.00 0.00 36.38 36.50 1onl s VAL 23 CO 0.20 0.03 0.89 -0.76 -0.31 0.00 0.00 175.10 175.15 1onl s LEU 24 N 0.68 3.96 -0.03 1.32 1.43 0.65 -1.22 118.68 125.48 1onl s LEU 24 Ca -0.05 1.56 0.03 0.00 -1.03 0.00 0.00 54.13 54.64 1onl s LEU 24 Cb -0.06 -4.40 -0.00 0.00 0.03 0.00 0.00 46.19 41.76 1onl s LEU 24 CO -0.04 -0.32 -0.12 -0.69 0.23 0.00 0.00 176.35 175.41 1onl s VAL 25 N -2.14 0.98 0.33 -1.59 1.01 0.01 0.28 120.40 119.28 1onl s VAL 25 Ca 0.59 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1onl s VAL 25 Cb -0.09 -0.85 0.06 0.00 0.00 0.00 0.00 36.38 35.50 1onl s VAL 25 CO 0.15 0.29 0.78 0.61 0.00 0.00 0.00 175.10 176.93 1onl n GLY 26 N 3.13 0.97 3.94 4.51 0.00 -1.03 -0.39 105.19 116.31 1onl n GLY 26 Ca -0.17 -1.22 -0.25 0.00 0.00 0.00 0.00 46.02 44.38 1onl n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1onl s ILE 27 N -2.15 5.18 0.82 -0.61 -4.36 -1.26 -0.86 121.20 117.96 1onl s ILE 27 Ca 0.16 -0.50 -0.12 0.00 -0.26 0.00 0.00 60.65 59.94 1onl s ILE 27 Cb -0.04 -3.80 0.08 0.00 1.25 0.00 0.00 42.46 39.96 1onl s ILE 27 CO 0.10 -0.32 1.10 0.42 0.24 0.00 0.00 174.94 176.48 1onl s THR 28 N -2.03 2.87 0.23 8.37 -4.23 -1.15 -4.49 115.64 115.21 1onl s THR 28 Ca 0.38 0.28 -0.08 0.00 -1.18 0.00 0.00 61.69 61.10 1onl s THR 28 Cb -0.10 -3.01 0.21 0.00 1.34 0.00 0.00 72.50 70.95 1onl s THR 28 CO 0.31 -0.37 1.90 -0.78 -0.54 0.00 0.00 174.62 175.14 1onl h ASP 29 N -1.19 1.04 -0.52 3.99 3.58 -1.94 -1.57 116.42 119.81 1onl h ASP 29 Ca -0.48 -0.03 0.04 0.00 0.42 0.00 0.00 57.03 56.98 1onl h ASP 29 Cb 1.28 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 42.03 1onl h ASP 29 CO 0.59 0.76 0.28 0.22 -2.88 0.00 0.00 179.24 178.21 1onl h TYR 30 N 1.22 0.52 -0.79 0.28 3.20 -1.92 -1.99 116.97 117.48 1onl h TYR 30 Ca 0.33 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.27 1onl h TYR 30 Cb -0.13 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 37.93 1onl h TYR 30 CO -0.01 0.27 0.48 0.00 -1.64 0.00 0.00 178.16 177.26 1onl h ALA 31 N 1.27 1.06 0.00 1.82 0.00 -1.60 -1.66 119.26 120.14 1onl h ALA 31 Ca 0.22 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1onl h ALA 31 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1onl h ALA 31 CO -0.14 0.24 -0.31 -0.56 0.00 0.00 0.00 179.25 178.48 1onl h GLN 32 N 0.91 0.00 -0.24 0.00 -0.00 -1.22 -2.33 115.11 112.23 1onl h GLN 32 Ca 0.33 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.94 1onl h GLN 32 Cb 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.58 1onl h GLN 32 CO -0.15 0.31 -0.02 -0.44 -0.00 0.00 0.00 178.83 178.53 1onl h ASP 33 N 0.00 0.43 0.38 0.06 3.45 -0.87 -1.16 116.42 118.70 1onl h ASP 33 Ca -0.00 -0.33 -0.08 0.00 0.43 0.00 0.00 57.03 57.05 1onl h ASP 33 Cb 1.18 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.83 1onl h ASP 33 CO 0.04 0.66 -0.36 0.00 -1.57 0.00 0.00 179.24 178.01 1onl h ALA 34 N 0.79 1.38 0.11 3.45 0.00 -1.25 -3.19 119.26 120.56 1onl h ALA 34 Ca 0.07 -0.33 -0.29 0.00 0.00 0.00 0.00 54.91 54.36 1onl h ALA 34 Cb 0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1onl h ALA 34 CO 0.02 0.45 -1.39 -0.07 0.00 0.00 0.00 179.25 178.25 1onl h LEU 35 N 0.00 0.38 0.00 0.00 3.38 -1.28 -3.49 115.31 114.29 1onl h LEU 35 Ca -0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1onl h LEU 35 Cb 0.64 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1onl h LEU 35 CO 0.05 1.38 0.00 0.61 0.09 0.00 0.00 178.44 180.57 1onl n GLY 36 N 1.59 -1.92 3.64 0.83 0.00 -0.45 -3.79 105.19 105.10 1onl n GLY 36 Ca -0.12 -1.66 -0.50 0.00 0.00 0.00 0.00 46.02 43.73 1onl n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1onl n ASP 37 N 0.58 2.44 -4.76 1.61 8.00 -1.26 -4.73 116.55 118.43 1onl n ASP 37 Ca 0.00 1.08 -0.39 0.00 0.71 0.00 0.00 54.79 56.20 1onl n ASP 37 Cb 0.00 -1.28 -0.06 0.00 -0.02 0.00 0.00 41.12 39.76 1onl n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1onl s VAL 38 N 1.51 4.96 -0.14 2.53 1.01 -1.26 -1.62 120.40 127.39 1onl s VAL 38 Ca 0.86 1.19 0.05 0.00 0.00 0.00 0.00 61.98 64.07 1onl s VAL 38 Cb -0.85 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 31.57 1onl s VAL 38 CO 0.47 0.41 0.16 1.33 0.00 0.00 0.00 175.10 177.47 1onl n VAL 39 N 2.81 0.00 -3.61 2.92 0.24 0.05 -3.79 118.33 116.95 1onl n VAL 39 Ca -0.07 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.34 61.83 1onl n VAL 39 Cb 0.51 0.78 -0.06 0.00 -1.47 0.00 0.00 33.84 33.60 1onl n VAL 39 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1onl s TYR 40 N -1.75 -0.51 -0.12 6.34 5.04 -0.88 -4.83 117.35 120.64 1onl s TYR 40 Ca 0.00 1.14 -0.00 0.00 -2.44 0.00 0.00 57.07 55.77 1onl s TYR 40 Cb 0.03 0.37 0.02 0.00 0.35 0.00 0.00 41.96 42.74 1onl s TYR 40 CO 0.19 -0.31 -0.09 0.08 -1.34 0.00 0.00 175.55 174.08 1onl s VAL 41 N -0.18 1.14 -0.27 3.14 1.01 -1.26 -0.11 120.40 123.88 1onl s VAL 41 Ca 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 1onl s VAL 41 Cb -0.04 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 1onl s VAL 41 CO -0.02 0.39 0.85 -0.70 0.00 0.00 0.00 175.10 175.61 1onl s GLU 42 N 1.60 4.11 0.00 2.72 2.12 0.11 -4.86 118.70 124.50 1onl s GLU 42 Ca 0.04 0.87 -0.02 0.00 0.36 0.00 0.00 54.97 56.22 1onl s GLU 42 Cb -0.13 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 1onl s GLU 42 CO -0.08 -0.60 0.15 -0.51 -0.54 0.00 0.00 175.26 173.68 1onl s LEU 43 N 2.96 4.20 0.37 2.70 1.43 -1.26 -2.32 118.68 126.76 1onl s LEU 43 Ca 0.35 0.26 -0.24 0.00 -1.03 0.00 0.00 54.13 53.48 1onl s LEU 43 Cb -0.15 -2.52 -0.10 0.00 0.03 0.00 0.00 46.19 43.45 1onl s LEU 43 CO 0.09 0.26 0.96 -2.16 0.23 0.00 0.00 176.35 175.73 1onl s PRO 44 N -1.93 4.40 0.33 1.29 0.04 -1.22 -5.00 135.00 132.92 1onl s PRO 44 Ca 0.26 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 1onl s PRO 44 Cb -0.12 -2.52 -0.11 0.00 0.04 0.00 0.00 34.50 31.78 1onl s PRO 44 CO 0.18 0.11 1.52 -2.00 0.04 0.00 0.00 177.00 176.85 1onl s GLU 45 N -2.56 4.13 0.09 4.56 2.12 -1.26 -4.88 118.70 120.91 1onl s GLU 45 Ca 0.56 2.55 -0.31 0.00 0.36 0.00 0.00 54.97 58.13 1onl s GLU 45 Cb -0.15 -3.00 -0.07 0.00 0.26 0.00 0.00 34.13 31.17 1onl s GLU 45 CO 0.20 -0.56 1.29 0.08 -0.54 0.00 0.00 175.26 175.73 1onl s VAL 46 N -0.61 3.65 0.00 3.70 1.01 -1.26 -3.17 120.40 123.72 1onl s VAL 46 Ca 0.57 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.75 1onl s VAL 46 Cb -0.47 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1onl s VAL 46 CO 0.56 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1onl n GLY 47 N 3.29 2.89 3.75 4.51 0.00 0.14 -5.02 105.19 114.75 1onl n GLY 47 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1onl n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1onl n ARG 48 N -1.07 1.86 -3.67 1.61 1.74 -1.19 -4.68 116.66 111.25 1onl n ARG 48 Ca 0.00 0.68 -0.36 0.00 -0.77 0.00 0.00 57.85 57.39 1onl n ARG 48 Cb 0.00 -2.61 -0.10 0.00 -1.02 0.00 0.00 32.46 28.74 1onl n ARG 48 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1onl s VAL 49 N -1.26 5.33 0.12 1.55 1.01 -1.26 -1.69 120.40 124.20 1onl s VAL 49 Ca 0.69 0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.94 1onl s VAL 49 Cb -0.42 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1onl s VAL 49 CO 0.51 0.35 -0.25 0.68 0.00 0.00 0.00 175.10 176.39 1onl s VAL 50 N 1.03 2.06 0.28 2.92 -7.23 0.16 -4.99 120.40 114.63 1onl s VAL 50 Ca 0.07 -1.67 0.05 0.00 -1.81 0.00 0.00 61.98 58.62 1onl s VAL 50 Cb -0.13 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 1onl s VAL 50 CO 0.04 0.04 0.41 -1.61 -0.31 0.00 0.00 175.10 173.68 1onl s GLU 51 N -1.99 3.37 0.13 4.82 0.41 -1.26 -0.14 118.70 124.05 1onl s GLU 51 Ca 0.11 -0.75 -0.32 0.00 -0.41 0.00 0.00 54.97 53.60 1onl s GLU 51 Cb -0.10 -2.84 -0.12 0.00 -1.78 0.00 0.00 34.13 29.29 1onl s GLU 51 CO 0.05 0.31 1.75 1.17 -0.49 0.00 0.00 175.26 178.05 1onl n LYS 52 N -1.52 2.56 -0.20 1.61 4.81 -1.26 -1.97 118.16 122.20 1onl n LYS 52 Ca -0.07 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 1onl n LYS 52 Cb 0.57 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.84 1onl n LYS 52 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1onl n GLY 53 N 3.99 1.29 3.73 3.14 0.00 -0.15 -4.90 105.19 112.30 1onl n GLY 53 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1onl n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1onl s GLU 54 N -0.47 4.34 -0.09 1.61 2.12 -0.83 -4.58 118.70 120.80 1onl s GLU 54 Ca 0.00 2.11 -0.30 0.00 0.36 0.00 0.00 54.97 57.15 1onl s GLU 54 Cb 0.00 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.16 1onl s GLU 54 CO 0.00 -0.35 1.36 0.00 -0.54 0.00 0.00 175.26 175.73 1onl s ALA 55 N 0.42 3.61 0.00 6.30 0.00 -1.26 -1.63 121.76 129.20 1onl s ALA 55 Ca 0.60 0.66 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1onl s ALA 55 Cb -0.38 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1onl s ALA 55 CO 0.36 -1.10 0.06 1.33 0.00 0.00 0.00 175.76 176.41 1onl n VAL 56 N 5.13 0.00 -3.84 0.00 0.24 -0.25 -4.98 118.33 114.62 1onl n VAL 56 Ca 0.14 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.34 62.05 1onl n VAL 56 Cb 0.44 1.08 -0.09 0.00 -1.47 0.00 0.00 33.84 33.81 1onl n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1onl s ALA 57 N -0.46 -0.41 -0.10 2.33 0.00 -1.07 -3.37 121.76 118.68 1onl s ALA 57 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1onl s ALA 57 Cb 0.00 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.37 1onl s ALA 57 CO 0.00 -0.32 -0.04 0.08 0.00 0.00 0.00 175.76 175.49 1onl s VAL 58 N -2.16 0.73 -0.30 0.00 1.01 -0.98 0.74 120.40 119.44 1onl s VAL 58 Ca -0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.65 1onl s VAL 58 Cb -0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1onl s VAL 58 CO -0.02 0.30 0.25 0.68 0.00 0.00 0.00 175.10 176.31 1onl s VAL 59 N 1.83 5.27 -0.27 2.92 -7.23 -0.65 0.05 120.40 122.31 1onl s VAL 59 Ca 0.05 0.14 -0.08 0.00 -1.81 0.00 0.00 61.98 60.27 1onl s VAL 59 Cb -0.13 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.16 1onl s VAL 59 CO -0.07 0.14 0.10 -1.61 -0.31 0.00 0.00 175.10 173.35 1onl s GLU 60 N 1.83 3.54 0.00 4.82 2.02 0.84 -1.05 118.70 130.70 1onl s GLU 60 Ca 0.09 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1onl s GLU 60 Cb -0.16 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.64 1onl s GLU 60 CO 0.11 -0.28 0.00 -1.13 0.02 0.00 0.00 175.26 173.98 1onl n SER 61 N 4.95 0.84 -1.06 -0.19 3.41 -0.43 -0.77 113.62 120.37 1onl n SER 61 Ca -0.15 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.57 1onl n SER 61 Cb 0.50 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.72 1onl n SER 61 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1onl n VAL 62 N 0.00 0.56 -0.01 -3.33 0.24 -0.64 -4.28 118.33 110.88 1onl n VAL 62 Ca 0.00 -0.71 -0.01 0.00 -2.04 0.00 0.00 64.34 61.58 1onl n VAL 62 Cb 0.00 0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 33.07 1onl n VAL 62 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1onl n LYS 63 N 1.26 1.15 -3.91 7.34 5.02 -1.25 -5.05 118.16 122.72 1onl n LYS 63 Ca 0.19 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.47 1onl n LYS 63 Cb 0.54 -1.02 0.02 0.00 -0.02 0.00 0.00 35.03 34.54 1onl n LYS 63 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1onl n THR 64 N -2.39 0.00 -4.74 -0.18 5.66 -1.26 -5.15 114.28 106.22 1onl n THR 64 Ca -0.02 -0.47 -0.33 0.00 -3.05 0.00 0.00 64.05 60.18 1onl n THR 64 Cb 0.53 0.73 -0.14 0.00 -1.55 0.00 0.00 70.33 69.90 1onl n THR 64 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1onl s ALA 65 N -2.03 2.70 -0.14 1.79 0.00 -1.26 -1.31 121.76 121.51 1onl s ALA 65 Ca 0.25 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.33 1onl s ALA 65 Cb -0.02 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.90 1onl s ALA 65 CO 0.04 0.33 -0.21 0.45 0.00 0.00 0.00 175.76 176.37 1onl s SER 66 N 0.06 3.01 -0.06 0.00 0.15 -0.22 -4.97 113.70 111.67 1onl s SER 66 Ca -0.04 -0.58 -0.30 0.00 0.70 0.00 0.00 55.95 55.73 1onl s SER 66 Cb -0.14 -1.40 -0.03 0.00 -1.71 0.00 0.00 66.02 62.74 1onl s SER 66 CO 0.04 0.06 1.13 -1.81 1.20 0.00 0.00 173.24 173.86 1onl s ASP 67 N 0.91 7.13 -0.19 5.45 1.01 -1.26 -1.64 116.67 128.08 1onl s ASP 67 Ca -0.05 1.74 -0.13 0.00 0.71 0.00 0.00 52.55 54.82 1onl s ASP 67 Cb -0.15 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.17 1onl s ASP 67 CO -0.03 -0.52 0.26 -0.63 0.21 0.00 0.00 175.17 174.46 1onl s ILE 68 N 2.00 5.31 0.30 0.77 1.09 0.23 -4.98 121.20 125.92 1onl s ILE 68 Ca 0.54 0.44 0.06 0.00 -1.10 0.00 0.00 60.65 60.59 1onl s ILE 68 Cb -0.23 -3.60 -0.02 0.00 -1.06 0.00 0.00 42.46 37.56 1onl s ILE 68 CO 0.22 0.36 0.40 -0.31 -0.10 0.00 0.00 174.94 175.51 1onl s TYR 69 N 0.74 3.19 -0.60 3.97 1.51 -1.26 -1.09 117.35 123.81 1onl s TYR 69 Ca 0.14 -0.16 -0.23 0.00 -1.01 0.00 0.00 57.07 55.80 1onl s TYR 69 Cb -0.13 -1.82 0.06 0.00 -0.11 0.00 0.00 41.96 39.96 1onl s TYR 69 CO 0.04 0.17 0.94 0.00 -1.11 0.00 0.00 175.55 175.59 1onl s ALA 70 N -2.13 3.14 0.42 3.71 0.00 -0.65 -4.87 121.76 121.38 1onl s ALA 70 Ca 0.41 -1.55 0.32 0.00 0.00 0.00 0.00 51.96 51.13 1onl s ALA 70 Cb -0.09 -3.78 1.40 0.00 0.00 0.00 0.00 23.12 20.65 1onl s ALA 70 CO 0.30 -2.57 1.44 -2.30 0.00 0.00 0.00 175.76 172.63 1onl n PRO 71 N 7.55 -0.03 -3.80 0.00 -0.02 -1.26 -0.97 135.00 136.47 1onl n PRO 71 Ca -0.01 1.14 -0.10 0.00 -2.02 0.00 0.00 63.50 62.51 1onl n PRO 71 Cb 0.46 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 1onl n PRO 71 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1onl s VAL 72 N -5.07 0.06 0.57 -1.45 -7.23 -1.26 -4.68 120.40 101.34 1onl s VAL 72 Ca -0.07 -0.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.94 1onl s VAL 72 Cb 0.28 -1.55 -0.05 0.00 0.56 0.00 0.00 36.38 35.63 1onl s VAL 72 CO 0.76 -0.28 1.14 0.00 -0.31 0.00 0.00 175.10 176.41 1onl s ALA 73 N -3.89 2.63 0.00 1.32 0.00 -1.26 -4.31 121.76 116.26 1onl s ALA 73 Ca 0.10 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1onl s ALA 73 Cb 0.02 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1onl s ALA 73 CO -0.05 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.21 1onl n GLY 74 N 0.11 -0.50 3.22 0.00 0.00 0.81 -0.98 105.19 107.84 1onl n GLY 74 Ca 0.12 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 1onl n GLY 74 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1onl s GLU 75 N -1.84 1.21 -0.30 1.61 2.12 -0.49 0.39 118.70 121.40 1onl s GLU 75 Ca 0.00 -0.89 -0.29 0.00 0.36 0.00 0.00 54.97 54.15 1onl s GLU 75 Cb 0.00 -1.30 0.01 0.00 0.26 0.00 0.00 34.13 33.10 1onl s GLU 75 CO 0.00 0.33 1.10 0.42 -0.54 0.00 0.00 175.26 176.57 1onl s ILE 76 N -0.84 4.49 -1.13 -3.70 -1.09 -0.68 -0.56 121.20 117.69 1onl s ILE 76 Ca 0.05 1.74 0.14 0.00 -2.23 0.00 0.00 60.65 60.35 1onl s ILE 76 Cb -0.09 -4.36 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 1onl s ILE 76 CO 0.02 -0.41 0.73 1.33 -1.23 0.00 0.00 174.94 175.37 1onl n VAL 77 N 5.79 0.00 -3.55 2.92 0.24 -0.28 0.27 118.33 123.71 1onl n VAL 77 Ca 0.12 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 1onl n VAL 77 Cb 0.47 1.13 -0.05 0.00 -1.47 0.00 0.00 33.84 33.91 1onl n VAL 77 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1onl s GLU 78 N -1.85 0.78 -0.02 7.34 2.12 -1.17 -4.90 118.70 120.98 1onl s GLU 78 Ca 0.10 0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.63 1onl s GLU 78 Cb 0.11 0.37 -0.00 0.00 0.26 0.00 0.00 34.13 34.86 1onl s GLU 78 CO 0.40 -0.25 -0.12 0.08 -0.54 0.00 0.00 175.26 174.84 1onl s VAL 79 N -1.23 0.98 -0.93 3.70 1.01 -1.26 -0.89 120.40 121.78 1onl s VAL 79 Ca -0.05 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.20 1onl s VAL 79 Cb -0.00 -0.84 0.04 0.00 0.00 0.00 0.00 36.38 35.58 1onl s VAL 79 CO 0.04 0.29 1.42 0.21 0.00 0.00 0.00 175.10 177.06 1onl s ASN 80 N -0.03 6.34 0.40 3.32 3.84 -0.51 -4.85 114.94 123.44 1onl s ASN 80 Ca 0.00 -1.10 0.08 0.00 0.21 0.00 0.00 52.86 52.05 1onl s ASN 80 Cb -0.07 -2.57 0.85 0.00 -0.55 0.00 0.00 41.25 38.91 1onl s ASN 80 CO 0.00 -1.66 2.01 -0.07 -2.79 0.00 0.00 177.10 174.60 1onl h LEU 81 N 13.08 0.52 -1.66 3.21 3.38 -1.95 -2.44 115.31 129.44 1onl h LEU 81 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1onl h LEU 81 Cb 1.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1onl h LEU 81 CO 1.38 0.35 0.15 0.00 0.09 0.00 0.00 178.44 180.41 1onl h ALA 82 N 1.69 1.13 0.00 1.53 0.00 -1.96 0.85 119.26 122.49 1onl h ALA 82 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1onl h ALA 82 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1onl h ALA 82 CO -0.06 -0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.34 1onl n LEU 83 N -2.47 0.00 0.03 0.00 4.77 -0.92 -0.73 117.00 117.68 1onl n LEU 83 Ca -0.02 0.32 -0.19 0.00 -0.03 0.00 0.00 56.01 56.09 1onl n LEU 83 Cb 0.19 -0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 40.82 1onl n LEU 83 CO 0.11 -0.02 0.03 -0.33 -1.33 0.00 0.00 177.39 175.86 1onl h GLU 84 N 0.00 0.25 0.00 3.23 5.08 -1.03 -3.15 114.58 118.96 1onl h GLU 84 Ca 0.00 -0.43 -0.24 0.00 -1.00 0.00 0.00 59.36 57.69 1onl h GLU 84 Cb 0.30 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1onl h GLU 84 CO 0.00 1.21 -1.44 0.87 -1.00 0.00 0.00 179.01 178.64 1onl h LYS 85 N -0.45 0.00 -2.04 2.33 1.79 -1.68 -3.42 116.57 113.10 1onl h LYS 85 Ca -0.14 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.76 1onl h LYS 85 Cb 1.57 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.83 1onl h LYS 85 CO 0.12 0.55 -1.05 0.25 -1.08 0.00 0.00 179.45 178.24 1onl n THR 86 N -3.09 -0.44 0.04 -0.16 -2.24 0.10 -4.97 114.28 103.52 1onl n THR 86 Ca -0.11 -4.09 0.15 0.00 -2.27 0.00 0.00 64.05 57.72 1onl n THR 86 Cb 0.97 -1.96 0.62 0.00 -2.10 0.00 0.00 70.33 67.87 1onl n THR 86 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1onl h PRO 87 N 4.11 0.11 0.00 -0.78 0.11 -1.72 -2.68 132.00 131.15 1onl h PRO 87 Ca 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1onl h PRO 87 Cb 0.86 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1onl h PRO 87 CO 0.49 0.08 0.05 -0.85 -0.21 0.00 0.00 178.00 177.56 1onl n GLU 88 N -4.45 0.12 0.05 1.05 0.00 -1.25 -1.74 120.64 114.42 1onl n GLU 88 Ca 0.06 0.61 0.19 0.00 0.00 0.00 0.00 57.16 58.03 1onl n GLU 88 Cb 0.40 -1.95 0.71 0.00 0.00 0.00 0.00 31.44 30.60 1onl n GLU 88 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1onl h LEU 89 N 0.00 0.00 -1.36 -1.84 3.38 -1.84 0.30 115.31 113.95 1onl h LEU 89 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1onl h LEU 89 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1onl h LEU 89 CO 0.00 0.00 0.19 0.58 0.09 0.00 0.00 178.44 179.30 1onl h VAL 90 N 0.00 1.16 0.01 1.22 2.07 -1.59 -0.30 116.25 118.82 1onl h VAL 90 Ca 0.21 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1onl h VAL 90 Cb 0.91 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1onl h VAL 90 CO -0.00 0.20 -0.17 0.78 0.02 0.00 0.00 177.57 178.40 1onl h ASN 91 N 0.63 0.03 -0.65 0.57 4.21 -0.67 -2.76 115.58 116.93 1onl h ASN 91 Ca 0.15 -0.95 -0.00 0.00 1.21 0.00 0.00 56.30 56.71 1onl h ASN 91 Cb 0.11 -0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.27 1onl h ASN 91 CO -0.02 1.07 0.39 1.56 -1.29 0.00 0.00 177.43 179.15 1onl h GLN 92 N -0.96 0.90 -0.50 0.81 4.20 -1.21 -3.37 115.11 114.98 1onl h GLN 92 Ca -0.04 -0.08 -0.31 0.00 0.06 0.00 0.00 58.65 58.29 1onl h GLN 92 Cb 1.07 -0.19 -0.20 0.00 0.30 0.00 0.00 27.48 28.45 1onl h GLN 92 CO -0.01 0.64 -0.65 -3.47 -0.67 0.00 0.00 178.83 174.67 1onl n ASP 93 N -4.40 -2.14 -0.24 1.46 2.03 -0.13 -5.01 116.55 108.12 1onl n ASP 93 Ca 0.07 -3.16 0.11 0.00 0.52 0.00 0.00 54.79 52.33 1onl n ASP 93 Cb 0.07 1.22 0.39 0.00 -0.72 0.00 0.00 41.12 42.08 1onl n ASP 93 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1onl h PRO 94 N 4.00 0.65 0.00 -0.67 0.13 -1.58 0.19 132.00 134.72 1onl h PRO 94 Ca -0.09 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1onl h PRO 94 Cb 0.99 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1onl h PRO 94 CO 0.36 0.43 -0.71 0.66 -0.23 0.00 0.00 178.00 178.52 1onl n TYR 95 N -4.53 0.15 0.00 1.56 4.01 -1.26 -4.21 117.16 112.88 1onl n TYR 95 Ca 0.16 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 1onl n TYR 95 Cb 0.43 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1onl n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1onl n GLY 96 N 1.44 0.61 0.00 2.72 0.00 -0.64 -4.82 105.19 104.50 1onl n GLY 96 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.12 1onl n GLY 96 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1onl n GLU 97 N 0.00 0.20 -0.44 1.61 2.13 -1.19 -2.61 120.64 120.33 1onl n GLU 97 Ca 0.00 0.14 0.07 0.00 0.66 0.00 0.00 57.16 58.03 1onl n GLU 97 Cb 0.00 -1.50 0.27 0.00 0.27 0.00 0.00 31.44 30.48 1onl n GLU 97 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1onl n GLY 98 N -0.34 2.01 3.64 8.31 0.00 0.57 -4.85 105.19 114.54 1onl n GLY 98 Ca 0.06 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 1onl n GLY 98 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1onl n TRP 99 N 0.84 0.67 -0.08 1.61 4.27 -1.07 -4.61 117.44 119.06 1onl n TRP 99 Ca 0.19 0.38 -0.18 0.00 -3.89 0.00 0.00 57.50 54.01 1onl n TRP 99 Cb 0.67 -2.01 -0.06 0.00 -1.36 0.00 0.00 31.31 28.55 1onl n TRP 99 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 1onl n ILE 100 N -3.83 0.93 -3.73 -1.67 5.41 0.48 -4.72 119.36 112.22 1onl n ILE 100 Ca 0.12 -0.24 -0.11 0.00 1.00 0.00 0.00 62.75 63.51 1onl n ILE 100 Cb 0.52 -1.68 -0.07 0.00 -0.71 0.00 0.00 39.64 37.70 1onl n ILE 100 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1onl s PHE 101 N -2.31 -0.11 -0.21 1.39 -0.12 -1.15 -1.42 117.98 114.05 1onl s PHE 101 Ca -0.23 -0.08 -0.09 0.00 -0.05 0.00 0.00 56.93 56.47 1onl s PHE 101 Cb 0.09 0.12 -0.05 0.00 -0.63 0.00 0.00 43.02 42.56 1onl s PHE 101 CO 0.30 -0.56 0.11 0.50 -0.05 0.00 0.00 175.22 175.53 1onl s ARG 102 N -2.95 4.04 -0.05 1.99 6.06 -0.07 -0.80 118.95 127.17 1onl s ARG 102 Ca -0.02 -0.29 0.06 0.00 -2.50 0.00 0.00 55.73 52.97 1onl s ARG 102 Cb 0.00 -3.38 -0.01 0.00 0.06 0.00 0.00 34.95 31.63 1onl s ARG 102 CO -0.06 0.18 -0.23 -1.17 -2.50 0.00 0.00 175.30 171.53 1onl s LEU 103 N 0.66 2.02 -0.34 -0.88 2.96 -0.36 -1.13 118.68 121.61 1onl s LEU 103 Ca 0.06 -0.46 -0.10 0.00 -0.22 0.00 0.00 54.13 53.41 1onl s LEU 103 Cb -0.13 -1.24 0.01 0.00 0.50 0.00 0.00 46.19 45.34 1onl s LEU 103 CO 0.01 0.22 0.18 -0.75 -1.32 0.00 0.00 176.35 174.69 1onl s LYS 104 N -0.16 3.05 0.37 1.98 2.20 0.28 -0.72 119.74 126.75 1onl s LYS 104 Ca -0.02 -0.92 -0.28 0.00 -0.36 0.00 0.00 55.97 54.39 1onl s LYS 104 Cb -0.12 -3.64 -0.11 0.00 -1.51 0.00 0.00 37.83 32.44 1onl s LYS 104 CO 0.03 -0.57 1.44 -2.30 -0.36 0.00 0.00 175.35 173.58 1onl n PRO 105 N 4.98 2.52 0.25 4.03 -0.02 -1.26 -1.40 135.00 144.10 1onl n PRO 105 Ca -0.13 0.88 0.09 0.00 -2.02 0.00 0.00 63.50 62.33 1onl n PRO 105 Cb 0.47 -2.58 0.63 0.00 -0.02 0.00 0.00 33.50 32.00 1onl n PRO 105 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1onl h ARG 106 N 2.81 0.00 -1.51 -0.52 2.43 -1.40 -3.41 114.38 112.78 1onl h ARG 106 Ca -0.50 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 58.75 1onl h ARG 106 Cb 1.25 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.59 1onl h ARG 106 CO 0.63 0.15 -0.21 0.34 -1.51 0.00 0.00 179.97 179.37 1onl s ASP 107 N -6.52 -1.21 0.31 -3.80 2.15 -1.26 -5.05 116.67 101.28 1onl s ASP 107 Ca -0.03 1.18 0.06 0.00 0.43 0.00 0.00 52.55 54.19 1onl s ASP 107 Cb 0.14 2.18 0.75 0.00 -0.30 0.00 0.00 42.92 45.70 1onl s ASP 107 CO 0.63 -0.24 1.77 0.24 -0.17 0.00 0.00 175.17 177.41 1onl h MET 108 N 8.01 0.73 -0.08 4.34 2.86 -1.95 -1.04 114.93 127.81 1onl h MET 108 Ca -0.20 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1onl h MET 108 Cb 1.13 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.62 1onl h MET 108 CO 0.18 0.48 0.54 0.78 1.06 0.00 0.00 176.91 179.95 1onl h GLY 109 N 0.75 0.00 2.00 8.32 0.00 -1.98 0.22 103.07 112.39 1onl h GLY 109 Ca 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.85 1onl h GLY 109 CO -0.38 0.00 -0.31 -0.55 0.00 0.00 0.00 176.54 175.29 1onl h ASP 110 N 0.00 0.00 -0.21 0.19 3.45 -1.63 -2.64 116.42 115.58 1onl h ASP 110 Ca 0.04 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.45 1onl h ASP 110 Cb 1.11 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.86 1onl h ASP 110 CO -0.00 0.31 -0.01 -0.07 -1.57 0.00 0.00 179.24 177.90 1onl h LEU 111 N 0.00 0.47 0.00 1.55 3.38 -0.74 -1.83 115.31 118.13 1onl h LEU 111 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1onl h LEU 111 Cb 0.70 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1onl h LEU 111 CO 0.04 0.55 0.00 0.47 0.09 0.00 0.00 178.44 179.59 1onl n ASP 112 N -4.28 0.00 -0.71 -0.43 10.43 -0.99 0.03 116.55 120.59 1onl n ASP 112 Ca 0.01 -0.28 0.08 0.00 2.57 0.00 0.00 54.79 57.18 1onl n ASP 112 Cb 0.24 0.00 0.10 0.00 1.84 0.00 0.00 41.12 43.30 1onl n ASP 112 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1onl n GLU 113 N -0.78 1.56 -2.80 -1.24 4.71 -0.69 -4.99 120.64 116.42 1onl n GLU 113 Ca 0.03 -1.63 -0.21 0.00 -0.01 0.00 0.00 57.16 55.33 1onl n GLU 113 Cb 0.01 -1.33 0.08 0.00 -1.01 0.00 0.00 31.44 29.19 1onl n GLU 113 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1onl s LEU 114 N -1.30 3.08 0.28 -4.62 1.43 0.10 -5.11 118.68 112.54 1onl s LEU 114 Ca 0.22 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1onl s LEU 114 Cb 0.14 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1onl s LEU 114 CO 0.21 -1.56 0.50 -0.76 0.23 0.00 0.00 176.35 174.97 1onl s LEU 115 N -4.89 4.09 0.47 1.79 1.43 -0.55 -4.88 118.68 116.15 1onl s LEU 115 Ca 0.64 0.54 0.08 0.00 -1.03 0.00 0.00 54.13 54.35 1onl s LEU 115 Cb -0.06 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.82 1onl s LEU 115 CO 0.41 -0.18 0.48 1.51 0.23 0.00 0.00 176.35 178.81 1onl s ASP 116 N -3.42 5.07 0.48 2.29 1.47 -1.26 0.10 116.67 121.39 1onl s ASP 116 Ca 0.41 -0.81 0.34 0.00 1.18 0.00 0.00 52.55 53.67 1onl s ASP 116 Cb -0.10 -0.24 1.48 0.00 -0.34 0.00 0.00 42.92 43.72 1onl s ASP 116 CO 0.31 -0.88 1.66 0.00 0.68 0.00 0.00 175.17 176.94 1onl h ALA 117 N 0.77 3.00 0.01 2.11 0.00 -1.84 0.70 119.26 124.01 1onl h ALA 117 Ca -0.38 0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.33 1onl h ALA 117 Cb 1.28 0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.23 1onl h ALA 117 CO 0.53 -1.55 -0.99 0.78 0.00 0.00 0.00 179.25 178.02 1onl h GLY 118 N 0.09 0.54 0.96 0.00 0.00 -1.93 -2.56 103.07 100.16 1onl h GLY 118 Ca 0.78 -0.96 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 1onl h GLY 118 CO -0.25 0.85 -0.03 -1.33 0.00 0.00 0.00 176.54 175.78 1onl h GLY 119 N 1.03 0.80 1.40 4.60 0.00 0.01 -2.22 103.07 108.69 1onl h GLY 119 Ca -0.10 -0.62 -0.09 0.00 0.00 0.00 0.00 47.33 46.52 1onl h GLY 119 CO 0.18 0.57 -0.13 -1.82 0.00 0.00 0.00 176.54 175.33 1onl h TYR 120 N 0.57 0.78 -0.57 5.60 3.20 -1.26 -2.33 116.97 122.96 1onl h TYR 120 Ca 0.11 -0.14 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 1onl h TYR 120 Cb 0.53 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1onl h TYR 120 CO 0.04 0.80 0.15 0.37 -1.64 0.00 0.00 178.16 177.88 1onl h GLN 121 N 0.64 0.90 -0.90 1.82 4.15 -1.37 -0.91 115.11 119.44 1onl h GLN 121 Ca 0.11 -0.21 0.03 0.00 0.77 0.00 0.00 58.65 59.34 1onl h GLN 121 Cb 0.59 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.11 1onl h GLN 121 CO 0.04 0.83 0.59 0.93 -1.93 0.00 0.00 178.83 179.29 1onl h GLU 122 N 0.81 1.13 -0.49 1.69 5.08 -1.16 0.34 114.58 121.98 1onl h GLU 122 Ca 0.18 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1onl h GLU 122 Cb 0.33 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1onl h GLU 122 CO 0.00 0.75 0.22 0.28 -1.00 0.00 0.00 179.01 179.26 1onl h VAL 123 N 1.16 1.20 -0.47 3.13 2.07 -0.91 0.30 116.25 122.73 1onl h VAL 123 Ca 0.35 -0.57 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 1onl h VAL 123 Cb -0.04 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1onl h VAL 123 CO -0.11 0.22 -0.16 -0.07 0.02 0.00 0.00 177.57 177.47 1onl h LEU 124 N 0.64 0.92 -0.92 2.57 3.38 -0.55 -2.27 115.31 119.09 1onl h LEU 124 Ca 0.17 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1onl h LEU 124 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1onl h LEU 124 CO -0.02 1.07 -0.53 -0.33 0.09 0.00 0.00 178.44 178.72 1onl h GLU 125 N 0.80 0.03 -0.35 1.13 5.08 -0.71 -2.21 114.58 118.35 1onl h GLU 125 Ca 0.12 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1onl h GLU 125 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1onl h GLU 125 CO 0.05 0.55 -0.23 0.66 -1.00 0.00 0.00 179.01 179.05 1onl h SER 126 N 0.02 0.70 -0.64 1.42 4.64 -0.00 -3.05 113.55 116.64 1onl h SER 126 Ca -0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1onl h SER 126 Cb 0.95 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1onl h SER 126 CO 0.07 0.91 0.00 -1.84 -0.87 0.00 0.00 176.83 175.10 1onl n GLU 127 N -4.11 2.63 0.00 4.77 0.28 -0.89 -5.09 120.64 118.23 1onl n GLU 127 Ca 0.00 -2.51 0.02 0.00 -0.16 0.00 0.00 57.16 54.51 1onl n GLU 127 Cb 0.42 -1.55 0.13 0.00 1.43 0.00 0.00 31.44 31.88 1onl n GLU 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97