#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2di7 s SER 2 N 0.00 -0.48 0.43 1.61 0.01 -1.26 -5.18 113.70 108.84 2di7 s SER 2 Ca 0.00 0.85 0.07 0.00 1.31 0.00 0.00 55.95 58.19 2di7 s SER 2 Cb 0.00 0.88 -0.02 0.00 0.21 0.00 0.00 66.02 67.09 2di7 s SER 2 CO 0.00 -0.23 0.34 -0.44 0.41 0.00 0.00 173.24 173.32 2di7 s SER 3 N -0.02 4.85 0.00 2.44 0.01 -1.26 -5.08 113.70 114.64 2di7 s SER 3 Ca -0.02 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2di7 s SER 3 Cb -0.03 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.79 2di7 s SER 3 CO 0.02 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.58 2di7 n GLY 4 N -1.51 0.98 2.97 3.44 0.00 -1.26 -5.04 105.19 104.76 2di7 n GLY 4 Ca 0.02 -2.24 -0.16 0.00 0.00 0.00 0.00 46.02 43.64 2di7 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2di7 n SER 5 N 0.00 -4.50 -0.11 1.61 2.88 -1.26 -4.94 113.62 107.29 2di7 n SER 5 Ca 0.00 -0.40 -0.19 0.00 -1.33 0.00 0.00 58.87 56.94 2di7 n SER 5 Cb 0.00 -3.81 -0.09 0.00 -0.75 0.00 0.00 64.21 59.56 2di7 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2di7 n SER 6 N -1.95 2.03 -2.36 -3.46 3.41 -1.26 -4.91 113.62 105.12 2di7 n SER 6 Ca -0.04 0.05 -0.03 0.00 -0.26 0.00 0.00 58.87 58.60 2di7 n SER 6 Cb 0.56 -0.49 0.06 0.00 -0.26 0.00 0.00 64.21 64.09 2di7 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2di7 n GLY 7 N 2.08 0.54 3.37 5.00 0.00 -1.26 -5.15 105.19 109.77 2di7 n GLY 7 Ca -0.41 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 2di7 n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2di7 s GLU 8 N 0.09 1.11 0.68 1.61 -1.05 -1.26 -5.18 118.70 114.70 2di7 s GLU 8 Ca 0.08 -0.47 -0.01 0.00 -0.15 0.00 0.00 54.97 54.42 2di7 s GLU 8 Cb 0.24 0.50 0.10 0.00 -0.44 0.00 0.00 34.13 34.53 2di7 s GLU 8 CO -0.06 -0.44 0.94 0.95 0.95 0.00 0.00 175.26 177.60 2di7 s THR 9 N -3.30 2.29 0.21 1.83 -4.23 -1.26 -4.72 115.64 106.47 2di7 s THR 9 Ca -0.01 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 2di7 s THR 9 Cb 0.00 -2.72 0.04 0.00 1.34 0.00 0.00 72.50 71.17 2di7 s THR 9 CO -0.09 0.00 0.29 0.61 -0.54 0.00 0.00 174.62 174.90 2di7 n GLY 10 N -2.73 0.89 0.00 3.99 0.00 -1.26 -4.80 105.19 101.29 2di7 n GLY 10 Ca 0.12 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.14 2di7 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2di7 n GLY 11 N 2.70 3.39 3.57 -0.02 0.00 -1.26 -5.10 105.19 108.48 2di7 n GLY 11 Ca 0.05 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 2di7 n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2di7 s GLU 12 N 0.00 -0.76 0.45 1.61 8.01 -1.26 -5.03 118.70 121.73 2di7 s GLU 12 Ca 0.00 0.35 -0.08 0.00 0.01 0.00 0.00 54.97 55.25 2di7 s GLU 12 Cb 0.00 -1.61 -0.05 0.00 -4.31 0.00 0.00 34.13 28.16 2di7 s GLU 12 CO 0.00 -3.49 0.79 -0.98 0.01 0.00 0.00 175.26 171.59 2di7 s ARG 13 N -5.00 3.66 -0.57 1.61 1.70 -1.26 -5.06 118.95 114.02 2di7 s ARG 13 Ca 0.68 0.36 0.04 0.00 -0.47 0.00 0.00 55.73 56.34 2di7 s ARG 13 Cb -0.17 -2.37 0.15 0.00 -0.57 0.00 0.00 34.95 32.00 2di7 s ARG 13 CO 0.59 -0.15 0.36 1.14 -1.08 0.00 0.00 175.30 176.16 2di7 s GLN 14 N -4.34 1.97 -0.06 3.89 -2.07 -1.26 -5.09 119.66 112.69 2di7 s GLN 14 Ca 0.50 -2.77 -0.40 0.00 -1.82 0.00 0.00 55.36 50.87 2di7 s GLN 14 Cb -0.10 -3.02 -0.18 0.00 -1.09 0.00 0.00 33.01 28.61 2di7 s GLN 14 CO 0.39 -1.22 1.34 -0.11 -1.32 0.00 0.00 175.29 174.37 2di7 n LEU 15 N 2.69 1.14 -4.23 2.60 7.94 -1.26 -2.81 117.00 123.07 2di7 n LEU 15 Ca 0.14 1.13 -0.35 0.00 -1.11 0.00 0.00 56.01 55.82 2di7 n LEU 15 Cb 0.35 -1.06 -0.14 0.00 0.53 0.00 0.00 43.42 43.11 2di7 n LEU 15 CO 0.27 -1.23 -0.38 -0.44 -1.11 0.00 0.00 177.39 174.51 2di7 s SER 16 N 1.05 4.50 0.21 1.96 0.01 0.22 -4.83 113.70 116.82 2di7 s SER 16 Ca 0.91 -0.85 -0.03 0.00 1.31 0.00 0.00 55.95 57.29 2di7 s SER 16 Cb -1.14 -1.71 0.17 0.00 0.21 0.00 0.00 66.02 63.55 2di7 s SER 16 CO 0.57 -0.14 1.57 1.55 0.41 0.00 0.00 173.24 177.19 2di7 h PRO 17 N 8.05 0.60 -0.48 12.44 0.13 -1.88 -2.68 132.00 148.17 2di7 h PRO 17 Ca -0.32 -0.32 -0.12 0.00 -0.87 0.00 0.00 66.00 64.38 2di7 h PRO 17 Cb 1.11 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2di7 h PRO 17 CO 0.58 0.91 -0.15 1.05 -0.23 0.00 0.00 178.00 180.16 2di7 h GLU 18 N 0.49 0.95 -0.65 0.86 4.11 -1.72 -3.06 114.58 115.56 2di7 h GLU 18 Ca 0.04 -0.38 -0.08 0.00 0.07 0.00 0.00 59.36 59.01 2di7 h GLU 18 Cb 0.94 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 2di7 h GLU 18 CO 0.08 1.05 0.10 0.87 0.07 0.00 0.00 179.01 181.18 2di7 h LYS 19 N 0.81 1.06 -6.33 1.06 1.79 -1.81 -3.44 116.57 109.70 2di7 h LYS 19 Ca 0.12 -0.28 -0.65 0.00 -2.18 0.00 0.00 60.65 57.66 2di7 h LYS 19 Cb 0.72 -0.13 0.07 0.00 -1.58 0.00 0.00 32.23 31.31 2di7 h LYS 19 CO 0.05 0.97 0.34 0.43 -1.08 0.00 0.00 179.45 180.17 2di7 n SER 20 N -4.22 1.52 -4.35 0.86 7.64 -1.02 -4.84 113.62 109.22 2di7 n SER 20 Ca 0.04 1.14 -0.37 0.00 1.01 0.00 0.00 58.87 60.69 2di7 n SER 20 Cb 0.29 -1.22 -0.13 0.00 -1.01 0.00 0.00 64.21 62.14 2di7 n SER 20 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2di7 s GLU 21 N -0.15 3.16 -0.58 1.43 -1.05 -1.24 -4.74 118.70 115.53 2di7 s GLU 21 Ca 0.76 -0.81 -0.19 0.00 -0.15 0.00 0.00 54.97 54.58 2di7 s GLU 21 Cb -0.86 -3.34 0.10 0.00 -0.44 0.00 0.00 34.13 29.59 2di7 s GLU 21 CO 0.50 -0.40 0.69 0.42 0.95 0.00 0.00 175.26 177.43 2di7 s ILE 22 N 1.51 4.83 0.41 1.83 1.01 -1.26 -4.08 121.20 125.45 2di7 s ILE 22 Ca 0.03 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.81 2di7 s ILE 22 Cb -0.17 -4.47 -0.05 0.00 0.01 0.00 0.00 42.46 37.79 2di7 s ILE 22 CO 0.02 -1.09 0.20 -1.66 0.00 0.00 0.00 174.94 172.42 2di7 s TRP 23 N 2.67 2.63 0.00 3.97 -2.14 -1.25 -5.01 118.94 119.81 2di7 s TRP 23 Ca 0.12 -0.56 0.00 0.00 2.66 0.00 0.00 56.10 58.31 2di7 s TRP 23 Cb -0.24 -1.97 0.00 0.00 -3.10 0.00 0.00 33.47 28.16 2di7 s TRP 23 CO 0.07 0.15 0.00 0.41 -2.66 0.00 0.00 176.95 174.92 2di7 n GLY 24 N -1.27 4.03 0.00 3.67 0.00 -1.26 -2.71 105.19 107.64 2di7 n GLY 24 Ca -0.01 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.22 2di7 n GLY 24 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2di7 n PRO 25 N -1.43 0.46 -0.04 1.61 -0.04 -1.26 -3.15 135.00 131.15 2di7 n PRO 25 Ca 0.00 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.32 2di7 n PRO 25 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 2di7 n PRO 25 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2di7 h GLY 26 N 2.45 0.56 1.72 0.55 0.00 -1.92 -3.10 103.07 103.33 2di7 h GLY 26 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 47.33 46.64 2di7 h GLY 26 CO 0.00 0.65 0.11 1.41 0.00 0.00 0.00 176.54 178.71 2di7 h LEU 27 N 0.13 0.00 -9.57 3.11 3.38 -1.91 -3.43 115.31 107.02 2di7 h LEU 27 Ca -0.01 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.37 2di7 h LEU 27 Cb 1.02 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.87 2di7 h LEU 27 CO 0.09 0.00 0.39 0.29 0.09 0.00 0.00 178.44 179.30 2di7 n LYS 28 N -3.92 1.75 0.08 1.13 5.02 -1.17 -4.90 118.16 116.14 2di7 n LYS 28 Ca -0.00 0.62 -0.12 0.00 -2.02 0.00 0.00 58.31 56.78 2di7 n LYS 28 Cb 0.22 -2.15 -0.06 0.00 -0.02 0.00 0.00 35.03 33.02 2di7 n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2di7 h ALA 29 N 2.96 -0.14 -1.92 7.82 0.00 -1.89 -3.37 119.26 122.72 2di7 h ALA 29 Ca -0.43 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 53.79 2di7 h ALA 29 Cb 1.31 0.11 -0.17 0.00 0.00 0.00 0.00 17.79 19.04 2di7 h ALA 29 CO 0.67 -0.59 0.21 -0.51 0.00 0.00 0.00 179.25 179.03 2di7 s ASP 30 N -5.05 6.21 0.45 0.00 1.01 -1.26 -5.04 116.67 113.00 2di7 s ASP 30 Ca -0.14 -1.04 0.06 0.00 0.71 0.00 0.00 52.55 52.13 2di7 s ASP 30 Cb 0.07 -2.33 0.07 0.00 1.01 0.00 0.00 42.92 41.74 2di7 s ASP 30 CO 0.66 -1.10 0.60 1.33 0.21 0.00 0.00 175.17 176.86 2di7 n VAL 31 N 5.71 0.00 -0.85 -1.27 0.24 -1.26 -5.08 118.33 115.81 2di7 n VAL 31 Ca -0.06 -1.34 -0.30 0.00 -2.04 0.00 0.00 64.34 60.59 2di7 n VAL 31 Cb 0.45 -0.72 0.26 0.00 -1.47 0.00 0.00 33.84 32.36 2di7 n VAL 31 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2di7 s VAL 32 N -1.67 1.49 0.06 3.34 -7.23 -1.26 -4.97 120.40 110.15 2di7 s VAL 32 Ca 0.44 0.00 -0.37 0.00 -1.81 0.00 0.00 61.98 60.25 2di7 s VAL 32 Cb -0.03 -2.35 -0.20 0.00 0.56 0.00 0.00 36.38 34.35 2di7 s VAL 32 CO 0.28 0.00 1.54 -0.07 -0.31 0.00 0.00 175.10 176.54 2di7 h LEU 33 N -2.85 -1.10 0.00 1.32 3.38 -2.05 -3.40 115.31 110.60 2di7 h LEU 33 Ca -0.45 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2di7 h LEU 33 Cb 1.31 0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.34 2di7 h LEU 33 CO 0.33 -0.78 0.00 -0.81 0.09 0.00 0.00 178.44 177.27 2di7 n PRO 34 N -5.64 0.00 -3.68 1.13 -0.04 -1.26 -5.06 135.00 120.45 2di7 n PRO 34 Ca -0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 2di7 n PRO 34 Cb 0.51 -0.23 -0.04 0.00 -0.04 0.00 0.00 33.50 33.70 2di7 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2di7 s ALA 35 N -2.98 -0.95 0.39 0.55 0.00 -1.26 -5.12 121.76 112.39 2di7 s ALA 35 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 51.96 51.90 2di7 s ALA 35 Cb 0.00 0.79 -0.07 0.00 0.00 0.00 0.00 23.12 23.84 2di7 s ALA 35 CO 0.00 -0.73 0.03 1.03 0.00 0.00 0.00 175.76 176.09 2di7 s ARG 36 N -3.84 1.87 0.12 0.00 1.81 -1.26 -4.79 118.95 112.87 2di7 s ARG 36 Ca 0.06 -2.06 -0.03 0.00 -1.72 0.00 0.00 55.73 51.98 2di7 s ARG 36 Cb 0.00 -1.39 -0.03 0.00 -0.45 0.00 0.00 34.95 33.08 2di7 s ARG 36 CO -0.07 -0.10 0.10 1.52 -0.68 0.00 0.00 175.30 176.06 2di7 s TYR 37 N -2.90 0.67 0.45 -0.53 -0.85 -1.26 -4.86 117.35 108.06 2di7 s TYR 37 Ca 0.35 -1.07 0.03 0.00 -0.52 0.00 0.00 57.07 55.86 2di7 s TYR 37 Cb 0.09 -0.35 -0.01 0.00 0.38 0.00 0.00 41.96 42.07 2di7 s TYR 37 CO 0.17 -0.54 0.12 -0.59 -1.52 0.00 0.00 175.55 173.19 2di7 s PHE 38 N -4.00 1.77 0.11 -3.49 -0.71 -1.26 -4.00 117.98 106.40 2di7 s PHE 38 Ca 0.19 -1.29 0.08 0.00 -1.04 0.00 0.00 56.93 54.87 2di7 s PHE 38 Cb 0.07 -1.23 -0.04 0.00 -1.21 0.00 0.00 43.02 40.61 2di7 s PHE 38 CO -0.01 -0.26 -0.19 0.71 -1.34 0.00 0.00 175.22 174.13 2di7 s TYR 39 N -3.12 1.68 -0.30 3.49 2.02 -1.10 -2.68 117.35 117.35 2di7 s TYR 39 Ca 0.18 -0.45 0.03 0.00 -0.37 0.00 0.00 57.07 56.46 2di7 s TYR 39 Cb 0.01 -0.90 0.08 0.00 -0.40 0.00 0.00 41.96 40.75 2di7 s TYR 39 CO 0.12 0.20 -0.02 0.42 -1.57 0.00 0.00 175.55 174.70 2di7 s ILE 40 N -1.42 2.10 -0.15 2.71 1.01 -0.53 -3.75 121.20 121.16 2di7 s ILE 40 Ca 0.07 -1.90 -0.14 0.00 0.00 0.00 0.00 60.65 58.68 2di7 s ILE 40 Cb -0.09 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 2di7 s ILE 40 CO 0.04 -0.32 0.30 -1.58 0.00 0.00 0.00 174.94 173.38 2di7 s GLN 41 N 1.06 4.19 0.08 2.79 2.00 -1.26 -2.87 119.66 125.66 2di7 s GLN 41 Ca 0.01 0.11 -0.22 0.00 -2.00 0.00 0.00 55.36 53.26 2di7 s GLN 41 Cb -0.19 -3.40 -0.07 0.00 0.80 0.00 0.00 33.01 30.15 2di7 s GLN 41 CO -0.07 0.30 0.66 0.00 -0.50 0.00 0.00 175.29 175.68 2di7 s ALA 42 N 0.27 3.50 -0.01 1.58 0.00 -1.26 -3.72 121.76 122.11 2di7 s ALA 42 Ca 0.17 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.31 2di7 s ALA 42 Cb -0.13 -2.80 -0.00 0.00 0.00 0.00 0.00 23.12 20.19 2di7 s ALA 42 CO 0.05 0.27 -0.07 0.08 0.00 0.00 0.00 175.76 176.09 2di7 s VAL 43 N -0.77 0.58 0.87 0.00 1.01 -1.25 -1.15 120.40 119.69 2di7 s VAL 43 Ca 0.33 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 2di7 s VAL 43 Cb -0.20 -0.51 0.20 0.00 0.00 0.00 0.00 36.38 35.87 2di7 s VAL 43 CO 0.21 0.18 1.19 -0.90 0.00 0.00 0.00 175.10 175.78 2di7 n ASP 44 N 3.10 0.18 0.07 3.32 5.68 -0.33 0.72 116.55 129.29 2di7 n ASP 44 Ca -0.15 -1.48 0.08 0.00 -0.50 0.00 0.00 54.79 52.73 2di7 n ASP 44 Cb 0.56 -0.90 0.35 0.00 -1.14 0.00 0.00 41.12 39.99 2di7 n ASP 44 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2di7 n THR 45 N -3.60 1.17 0.55 2.12 -2.24 -1.12 -1.21 114.28 109.95 2di7 n THR 45 Ca 0.15 0.39 0.10 0.00 -2.27 0.00 0.00 64.05 62.42 2di7 n THR 45 Cb 0.53 -1.29 0.27 0.00 -2.10 0.00 0.00 70.33 67.73 2di7 n THR 45 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2di7 n SER 46 N -1.85 2.71 -0.97 3.42 7.64 -1.26 -4.91 113.62 118.39 2di7 n SER 46 Ca 0.01 -1.92 -0.12 0.00 1.01 0.00 0.00 58.87 57.85 2di7 n SER 46 Cb 0.13 -0.26 -0.04 0.00 -1.01 0.00 0.00 64.21 63.02 2di7 n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2di7 n GLY 47 N 1.34 1.08 3.84 0.23 0.00 -0.35 -5.00 105.19 106.32 2di7 n GLY 47 Ca 0.18 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 2di7 n GLY 47 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2di7 s ASN 48 N -2.82 6.07 0.09 1.61 0.01 -1.26 -4.86 114.94 113.79 2di7 s ASN 48 Ca 0.00 0.33 -0.30 0.00 -0.71 0.00 0.00 52.86 52.17 2di7 s ASN 48 Cb 0.00 -1.88 -0.06 0.00 0.41 0.00 0.00 41.25 39.72 2di7 s ASN 48 CO 0.00 0.34 1.19 -0.54 -1.51 0.00 0.00 177.10 176.58 2di7 s LYS 49 N -1.36 4.46 0.25 -0.60 3.01 -1.26 -1.19 119.74 123.06 2di7 s LYS 49 Ca 0.19 1.78 -0.03 0.00 -1.01 0.00 0.00 55.97 56.90 2di7 s LYS 49 Cb -0.12 -3.32 0.31 0.00 -1.01 0.00 0.00 37.83 33.69 2di7 s LYS 49 CO 0.09 -0.19 1.77 0.74 0.51 0.00 0.00 175.35 178.26 2di7 h PHE 50 N 6.39 0.91 -3.07 3.18 -1.00 -1.51 -3.46 116.94 118.38 2di7 h PHE 50 Ca -0.42 -0.11 -0.12 0.00 2.81 0.00 0.00 57.97 60.12 2di7 h PHE 50 Cb 1.21 -0.25 -0.03 0.00 3.61 0.00 0.00 35.95 40.49 2di7 h PHE 50 CO 0.66 0.80 -0.13 0.25 -1.61 0.00 0.00 178.31 178.27 2di7 n THR 51 N -4.23 -0.14 -4.48 -1.55 -2.24 -1.26 -4.86 114.28 95.51 2di7 n THR 51 Ca 0.03 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.57 2di7 n THR 51 Cb 0.28 -0.71 -0.08 0.00 -2.10 0.00 0.00 70.33 67.72 2di7 n THR 51 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2di7 s SER 52 N -1.76 2.60 -0.45 3.42 1.04 -1.26 -4.63 113.70 112.66 2di7 s SER 52 Ca 0.00 -1.65 -0.14 0.00 0.48 0.00 0.00 55.95 54.64 2di7 s SER 52 Cb 0.00 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.65 2di7 s SER 52 CO 0.00 -0.92 0.34 -0.94 0.98 0.00 0.00 173.24 172.71 2di7 s SER 53 N -3.57 6.00 0.02 7.02 1.04 -1.26 -4.54 113.70 118.41 2di7 s SER 53 Ca 0.26 -1.29 -0.22 0.00 0.48 0.00 0.00 55.95 55.18 2di7 s SER 53 Cb 0.03 -2.13 -0.17 0.00 0.10 0.00 0.00 66.02 63.86 2di7 s SER 53 CO 0.16 -0.58 1.32 1.55 0.98 0.00 0.00 173.24 176.66 2di7 h PRO 54 N 8.64 0.22 0.00 4.02 0.13 -1.99 -3.49 132.00 139.52 2di7 h PRO 54 Ca -0.27 -0.11 0.20 0.00 -0.87 0.00 0.00 66.00 64.95 2di7 h PRO 54 Cb 1.11 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 2di7 h PRO 54 CO 0.82 0.64 0.51 0.41 -0.23 0.00 0.00 178.00 180.15 2di7 n GLY 55 N 0.20 0.39 0.18 1.56 0.00 -1.26 -5.02 105.19 101.23 2di7 n GLY 55 Ca -0.07 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 2di7 n GLY 55 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2di7 h GLU 56 N 0.00 0.50 -2.96 1.61 9.09 -2.03 -3.42 114.58 117.36 2di7 h GLU 56 Ca -0.12 -0.46 -0.50 0.00 0.05 0.00 0.00 59.36 58.33 2di7 h GLU 56 Cb 0.66 0.11 -0.40 0.00 -1.65 0.00 0.00 28.75 27.46 2di7 h GLU 56 CO 0.17 1.09 -0.76 0.15 0.05 0.00 0.00 179.01 179.71 2di7 s LYS 57 N -3.51 0.16 0.00 1.06 -0.14 -1.26 -4.97 119.74 111.08 2di7 s LYS 57 Ca -0.07 -0.33 0.00 0.00 -1.36 0.00 0.00 55.97 54.21 2di7 s LYS 57 Cb 0.09 -1.54 0.00 0.00 -1.68 0.00 0.00 37.83 34.71 2di7 s LYS 57 CO 0.87 -0.84 0.00 1.33 -0.76 0.00 0.00 175.35 175.95 2di7 n VAL 58 N 5.24 0.00 -3.54 3.17 0.24 -1.26 -5.04 118.33 117.15 2di7 n VAL 58 Ca -0.06 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.85 2di7 n VAL 58 Cb 0.45 -0.86 -0.10 0.00 -1.47 0.00 0.00 33.84 31.86 2di7 n VAL 58 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2di7 s PHE 59 N -1.90 3.24 0.04 6.34 0.08 -1.26 -4.47 117.98 120.05 2di7 s PHE 59 Ca 0.00 0.21 0.04 0.00 0.12 0.00 0.00 56.93 57.31 2di7 s PHE 59 Cb 0.00 -2.43 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 2di7 s PHE 59 CO 0.00 -0.16 -0.07 -1.14 -0.10 0.00 0.00 175.22 173.75 2di7 s GLN 60 N 1.79 2.45 -0.01 0.44 0.74 -1.12 -4.97 119.66 118.98 2di7 s GLN 60 Ca 0.09 -0.81 0.06 0.00 0.05 0.00 0.00 55.36 54.75 2di7 s GLN 60 Cb -0.16 -2.46 -0.01 0.00 1.10 0.00 0.00 33.01 31.48 2di7 s GLN 60 CO 0.10 0.57 -0.19 0.08 -0.55 0.00 0.00 175.29 175.31 2di7 s VAL 61 N -1.09 1.47 -0.02 1.34 1.01 -1.26 -2.70 120.40 119.15 2di7 s VAL 61 Ca 0.19 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.40 2di7 s VAL 61 Cb -0.11 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 2di7 s VAL 61 CO 0.10 0.40 -0.15 -0.75 0.00 0.00 0.00 175.10 174.70 2di7 s LYS 62 N -0.49 1.32 -0.15 2.72 2.47 -0.49 -4.97 119.74 120.16 2di7 s LYS 62 Ca 0.07 -0.54 0.00 0.00 -1.56 0.00 0.00 55.97 53.95 2di7 s LYS 62 Cb -0.07 -1.24 0.02 0.00 -1.46 0.00 0.00 37.83 35.08 2di7 s LYS 62 CO -0.01 0.29 -0.13 0.08 0.16 0.00 0.00 175.35 175.75 2di7 s VAL 63 N -0.23 1.49 0.05 4.02 1.01 -1.26 -1.18 120.40 124.31 2di7 s VAL 63 Ca 0.03 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.45 2di7 s VAL 63 Cb -0.07 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 2di7 s VAL 63 CO 0.00 0.43 -0.12 -0.44 0.00 0.00 0.00 175.10 174.97 2di7 s SER 64 N 1.52 1.35 -0.05 3.32 0.01 -1.10 -4.94 113.70 113.81 2di7 s SER 64 Ca 0.05 -0.51 -0.08 0.00 1.31 0.00 0.00 55.95 56.71 2di7 s SER 64 Cb -0.13 -0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 2di7 s SER 64 CO -0.10 -0.07 0.23 0.00 0.41 0.00 0.00 173.24 173.71 2di7 s ALA 65 N -1.10 3.85 -0.02 1.44 0.00 -1.26 -2.14 121.76 122.52 2di7 s ALA 65 Ca -0.03 -0.56 -0.25 0.00 0.00 0.00 0.00 51.96 51.12 2di7 s ALA 65 Cb -0.09 -2.06 -0.20 0.00 0.00 0.00 0.00 23.12 20.77 2di7 s ALA 65 CO 0.01 0.62 1.23 -1.00 0.00 0.00 0.00 175.76 176.62 2di7 h PRO 66 N 4.51 -0.05 0.15 0.00 0.13 -1.98 -3.38 132.00 131.37 2di7 h PRO 66 Ca -0.52 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 2di7 h PRO 66 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2di7 h PRO 66 CO 0.62 0.42 -0.07 1.49 -0.23 0.00 0.00 178.00 180.23 2di7 h GLU 67 N -0.55 -0.19 -6.25 0.86 4.57 -1.95 -3.43 114.58 107.63 2di7 h GLU 67 Ca -0.01 0.01 -0.57 0.00 -1.18 0.00 0.00 59.36 57.62 2di7 h GLU 67 Cb 0.49 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 2di7 h GLU 67 CO 0.01 -0.13 1.22 -1.21 -1.18 0.00 0.00 179.01 177.72 2di7 s GLU 68 N -2.16 3.61 0.66 1.92 0.41 -1.26 -4.84 118.70 117.04 2di7 s GLU 68 Ca -0.03 1.70 0.37 0.00 -0.41 0.00 0.00 54.97 56.61 2di7 s GLU 68 Cb 0.00 -4.13 2.04 0.00 -1.78 0.00 0.00 34.13 30.26 2di7 s GLU 68 CO 0.09 -1.53 2.17 -0.56 -0.49 0.00 0.00 175.26 174.93 2di7 h GLN 69 N 11.86 0.00 -3.41 1.61 3.07 -1.84 -3.38 115.11 123.03 2di7 h GLN 69 Ca -0.36 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.21 2di7 h GLN 69 Cb 1.17 0.00 -0.25 0.00 0.08 0.00 0.00 27.48 28.49 2di7 h GLN 69 CO 1.00 0.00 -0.53 0.12 0.09 0.00 0.00 178.83 179.51 2di7 s PHE 70 N -4.19 -0.11 -0.10 0.06 5.36 -1.26 -4.92 117.98 112.82 2di7 s PHE 70 Ca -0.04 0.25 -0.05 0.00 -0.96 0.00 0.00 56.93 56.13 2di7 s PHE 70 Cb 0.12 0.02 0.05 0.00 -0.34 0.00 0.00 43.02 42.87 2di7 s PHE 70 CO 0.37 -0.14 0.23 -0.08 -1.46 0.00 0.00 175.22 174.14 2di7 s THR 71 N -0.34 -0.11 -0.61 0.12 -1.32 -1.26 -4.97 115.64 107.15 2di7 s THR 71 Ca -0.04 0.18 -0.27 0.00 -1.21 0.00 0.00 61.69 60.35 2di7 s THR 71 Cb -0.03 -0.36 0.00 0.00 -1.51 0.00 0.00 72.50 70.60 2di7 s THR 71 CO 0.01 0.08 1.59 -0.60 -2.21 0.00 0.00 174.62 173.49 2di7 s ARG 72 N 1.47 2.98 -0.05 7.08 6.06 -1.26 -4.96 118.95 130.28 2di7 s ARG 72 Ca -0.07 0.40 0.02 0.00 -2.50 0.00 0.00 55.73 53.58 2di7 s ARG 72 Cb -0.11 -4.26 0.02 0.00 0.06 0.00 0.00 34.95 30.66 2di7 s ARG 72 CO -0.08 -2.33 -0.07 0.08 -2.50 0.00 0.00 175.30 170.40 2di7 s VAL 73 N 7.33 0.74 -0.90 7.11 1.01 -1.26 -4.78 120.40 129.65 2di7 s VAL 73 Ca 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 2di7 s VAL 73 Cb -0.11 -0.71 0.25 0.00 0.00 0.00 0.00 36.38 35.81 2di7 s VAL 73 CO 0.21 0.26 0.96 0.61 0.00 0.00 0.00 175.10 177.15 2di7 n GLY 74 N 3.82 4.54 3.71 4.51 0.00 -1.24 -5.01 105.19 115.53 2di7 n GLY 74 Ca -0.23 -2.65 -0.42 0.00 0.00 0.00 0.00 46.02 42.71 2di7 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2di7 s VAL 75 N -1.98 3.88 -0.04 1.61 1.01 -1.26 -3.88 120.40 119.73 2di7 s VAL 75 Ca 0.31 1.36 0.01 0.00 0.00 0.00 0.00 61.98 63.66 2di7 s VAL 75 Cb 0.01 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2di7 s VAL 75 CO -0.04 0.11 -0.04 -1.58 0.00 0.00 0.00 175.10 173.55 2di7 s GLN 76 N 1.02 0.75 -0.46 2.72 2.00 -0.03 -5.00 119.66 120.67 2di7 s GLN 76 Ca 0.60 -0.08 -0.14 0.00 -2.00 0.00 0.00 55.36 53.74 2di7 s GLN 76 Cb -0.31 -0.79 0.07 0.00 0.80 0.00 0.00 33.01 32.79 2di7 s GLN 76 CO 0.30 -0.09 0.36 0.54 -0.50 0.00 0.00 175.29 175.89 2di7 s VAL 77 N 0.93 4.97 -0.17 1.34 0.11 -1.26 -1.54 120.40 124.77 2di7 s VAL 77 Ca -0.11 -1.14 -0.08 0.00 -2.93 0.00 0.00 61.98 57.72 2di7 s VAL 77 Cb -0.14 -3.98 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 2di7 s VAL 77 CO -0.00 -0.55 0.11 -0.22 -3.33 0.00 0.00 175.10 171.11 2di7 s LEU 78 N 1.59 4.10 -0.32 2.54 1.98 -1.12 -4.98 118.68 122.47 2di7 s LEU 78 Ca 0.04 0.23 -0.12 0.00 -2.89 0.00 0.00 54.13 51.39 2di7 s LEU 78 Cb -0.24 -2.04 -0.03 0.00 0.66 0.00 0.00 46.19 44.55 2di7 s LEU 78 CO 0.06 0.24 0.22 1.51 -1.89 0.00 0.00 176.35 176.49 2di7 s ASP 79 N 0.01 6.05 -0.44 3.68 1.47 -1.26 -2.31 116.67 123.87 2di7 s ASP 79 Ca 0.08 -0.25 -0.00 0.00 1.18 0.00 0.00 52.55 53.56 2di7 s ASP 79 Cb -0.12 -2.13 0.37 0.00 -0.34 0.00 0.00 42.92 40.70 2di7 s ASP 79 CO 0.00 -0.17 1.92 0.54 0.68 0.00 0.00 175.17 178.15 2di7 n ARG 80 N 5.10 2.12 -3.92 2.11 1.74 -1.26 -4.87 116.66 117.68 2di7 n ARG 80 Ca -0.13 -2.30 -0.26 0.00 -0.77 0.00 0.00 57.85 54.39 2di7 n ARG 80 Cb 0.51 -1.90 -0.08 0.00 -1.02 0.00 0.00 32.46 29.97 2di7 n ARG 80 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2di7 n LYS 81 N -0.36 -0.92 -0.20 5.56 4.76 -1.26 -4.76 118.16 120.99 2di7 n LYS 81 Ca 0.45 0.08 0.04 0.00 -2.87 0.00 0.00 58.31 56.01 2di7 n LYS 81 Cb 0.82 -2.99 0.06 0.00 -1.84 0.00 0.00 35.03 31.09 2di7 n LYS 81 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2di7 n ASP 82 N -2.10 1.30 0.00 4.39 5.75 -1.26 -5.00 116.55 119.63 2di7 n ASP 82 Ca -0.19 -2.39 0.00 0.00 -0.01 0.00 0.00 54.79 52.20 2di7 n ASP 82 Cb 0.51 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 2di7 n ASP 82 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2di7 n GLY 83 N -0.70 1.69 3.87 6.12 0.00 -1.26 -4.95 105.19 109.97 2di7 n GLY 83 Ca 0.07 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 2di7 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2di7 s SER 84 N 0.00 5.90 -0.09 1.61 0.01 -1.26 -4.59 113.70 115.28 2di7 s SER 84 Ca 0.00 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.24 2di7 s SER 84 Cb 0.00 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.56 2di7 s SER 84 CO 0.00 0.03 -0.10 -0.36 0.41 0.00 0.00 173.24 173.22 2di7 s PHE 85 N -1.84 2.86 -0.32 2.43 0.08 -1.14 -4.25 117.98 115.81 2di7 s PHE 85 Ca 0.33 -0.20 -0.11 0.00 0.12 0.00 0.00 56.93 57.07 2di7 s PHE 85 Cb -0.10 -1.75 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 2di7 s PHE 85 CO 0.26 0.13 0.18 -1.50 -0.10 0.00 0.00 175.22 174.20 2di7 s ILE 86 N -0.39 4.88 -0.03 0.64 2.07 -0.98 -1.46 121.20 125.94 2di7 s ILE 86 Ca 0.05 -0.29 -0.25 0.00 -1.41 0.00 0.00 60.65 58.75 2di7 s ILE 86 Cb -0.12 -3.47 -0.04 0.00 0.13 0.00 0.00 42.46 38.95 2di7 s ILE 86 CO 0.02 0.07 0.78 -0.69 -1.91 0.00 0.00 174.94 173.21 2di7 s VAL 87 N 1.66 4.95 -0.02 4.00 1.01 -1.09 -2.81 120.40 128.10 2di7 s VAL 87 Ca 0.05 1.62 0.02 0.00 0.00 0.00 0.00 61.98 63.67 2di7 s VAL 87 Cb -0.17 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.10 2di7 s VAL 87 CO 0.08 0.25 -0.06 -0.13 0.00 0.00 0.00 175.10 175.24 2di7 s ARG 88 N 0.70 0.67 0.05 2.72 0.52 -0.59 -4.06 118.95 118.96 2di7 s ARG 88 Ca 0.41 -0.18 -0.00 0.00 -0.52 0.00 0.00 55.73 55.45 2di7 s ARG 88 Cb -0.19 -0.66 -0.03 0.00 0.52 0.00 0.00 34.95 34.58 2di7 s ARG 88 CO 0.21 0.04 -0.04 1.52 0.02 0.00 0.00 175.30 177.06 2di7 s TYR 89 N 0.34 0.50 -0.04 -0.53 1.13 -1.26 -0.85 117.35 116.64 2di7 s TYR 89 Ca -0.04 -0.84 0.04 0.00 -1.41 0.00 0.00 57.07 54.82 2di7 s TYR 89 Cb -0.08 -0.35 -0.00 0.00 -1.10 0.00 0.00 41.96 40.43 2di7 s TYR 89 CO -0.00 -0.27 -0.17 0.50 -2.51 0.00 0.00 175.55 173.10 2di7 s ARG 90 N -2.98 1.74 -0.20 -3.49 6.06 -1.25 -4.98 118.95 113.84 2di7 s ARG 90 Ca -0.01 -0.61 -0.05 0.00 -2.50 0.00 0.00 55.73 52.57 2di7 s ARG 90 Cb 0.01 -1.53 0.10 0.00 0.06 0.00 0.00 34.95 33.59 2di7 s ARG 90 CO -0.06 0.25 0.37 1.41 -2.50 0.00 0.00 175.30 174.77 2di7 s MET 91 N 0.00 0.29 -0.39 5.12 -2.45 -1.26 -3.73 119.30 116.88 2di7 s MET 91 Ca -0.03 0.75 -0.03 0.00 -1.25 0.00 0.00 55.69 55.14 2di7 s MET 91 Cb -0.11 -0.12 0.12 0.00 1.25 0.00 0.00 34.83 35.97 2di7 s MET 91 CO 0.02 -0.43 2.47 0.66 1.05 0.00 0.00 175.02 178.80 2di7 n TYR 92 N 5.37 1.57 -3.55 4.11 4.01 -1.26 -4.78 117.16 122.64 2di7 n TYR 92 Ca -0.06 -1.97 -0.09 0.00 -0.16 0.00 0.00 57.90 55.62 2di7 n TYR 92 Cb 0.50 -1.22 -0.09 0.00 -0.31 0.00 0.00 39.34 38.22 2di7 n TYR 92 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2di7 s ALA 93 N -1.74 -1.10 -0.06 -0.72 0.00 -1.26 -5.12 121.76 111.75 2di7 s ALA 93 Ca 0.48 1.27 -0.34 0.00 0.00 0.00 0.00 51.96 53.37 2di7 s ALA 93 Cb 0.33 -1.43 -0.16 0.00 0.00 0.00 0.00 23.12 21.86 2di7 s ALA 93 CO -0.12 -0.92 0.95 0.43 0.00 0.00 0.00 175.76 176.09 2di7 n SER 94 N 5.38 0.15 -3.96 0.00 7.64 -1.26 -4.93 113.62 116.64 2di7 n SER 94 Ca -0.07 0.96 -0.30 0.00 1.01 0.00 0.00 58.87 60.47 2di7 n SER 94 Cb 0.50 -0.75 -0.16 0.00 -1.01 0.00 0.00 64.21 62.79 2di7 n SER 94 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2di7 s TYR 95 N 0.38 2.40 -0.12 1.43 -0.85 -1.26 -5.01 117.35 114.32 2di7 s TYR 95 Ca 0.77 -1.70 -0.23 0.00 -0.52 0.00 0.00 57.07 55.39 2di7 s TYR 95 Cb -1.08 -1.59 -0.20 0.00 0.38 0.00 0.00 41.96 39.47 2di7 s TYR 95 CO 0.50 -0.76 0.65 -0.22 -1.52 0.00 0.00 175.55 174.20 2di7 h LYS 96 N 7.96 -0.01 -4.66 -3.49 3.64 -2.01 -3.47 116.57 114.54 2di7 h LYS 96 Ca -0.21 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.81 2di7 h LYS 96 Cb 1.08 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.63 2di7 h LYS 96 CO 0.43 0.73 -0.77 1.21 -2.27 0.00 0.00 179.45 178.78 2di7 s ASN 97 N -6.02 0.97 -0.03 4.20 2.47 -1.26 -4.95 114.94 110.33 2di7 s ASN 97 Ca -0.15 -0.23 -0.02 0.00 0.42 0.00 0.00 52.86 52.88 2di7 s ASN 97 Cb -0.02 -0.08 0.02 0.00 -1.45 0.00 0.00 41.25 39.72 2di7 s ASN 97 CO 0.54 0.04 0.07 -0.76 -3.72 0.00 0.00 177.10 173.27 2di7 s LEU 98 N -0.50 1.38 -0.33 3.21 1.43 -1.26 -4.82 118.68 117.79 2di7 s LEU 98 Ca 0.01 0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 53.04 2di7 s LEU 98 Cb -0.05 0.17 -0.00 0.00 0.03 0.00 0.00 46.19 46.35 2di7 s LEU 98 CO 0.00 -0.07 0.68 -0.75 0.23 0.00 0.00 176.35 176.43 2di7 s LYS 99 N 0.53 3.80 0.05 1.70 2.20 -0.91 -4.54 119.74 122.56 2di7 s LYS 99 Ca -0.04 0.24 -0.18 0.00 -0.36 0.00 0.00 55.97 55.63 2di7 s LYS 99 Cb -0.06 -3.77 -0.06 0.00 -1.51 0.00 0.00 37.83 32.43 2di7 s LYS 99 CO -0.02 -0.70 0.53 0.08 -0.36 0.00 0.00 175.35 174.88 2di7 s VAL 100 N 2.78 4.82 0.02 4.02 1.01 -1.16 -2.69 120.40 129.20 2di7 s VAL 100 Ca 0.27 1.11 0.01 0.00 0.00 0.00 0.00 61.98 63.37 2di7 s VAL 100 Cb -0.14 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 2di7 s VAL 100 CO 0.14 0.56 -0.05 -1.61 0.00 0.00 0.00 175.10 174.14 2di7 s GLU 101 N -1.07 0.36 -0.13 2.72 2.02 -0.32 -0.86 118.70 121.42 2di7 s GLU 101 Ca 0.28 -0.45 -0.07 0.00 0.02 0.00 0.00 54.97 54.75 2di7 s GLU 101 Cb -0.19 -0.18 0.05 0.00 0.10 0.00 0.00 34.13 33.92 2di7 s GLU 101 CO 0.17 0.03 0.31 0.42 0.02 0.00 0.00 175.26 176.21 2di7 s ILE 102 N -0.84 -0.03 0.09 -1.63 1.09 -1.26 -1.39 121.20 117.23 2di7 s ILE 102 Ca -0.07 0.12 -0.07 0.00 -1.10 0.00 0.00 60.65 59.54 2di7 s ILE 102 Cb -0.06 -0.46 -0.01 0.00 -1.06 0.00 0.00 42.46 40.86 2di7 s ILE 102 CO -0.00 0.05 0.15 -0.54 -0.10 0.00 0.00 174.94 174.49 2di7 s LYS 103 N 1.23 0.83 -0.22 2.79 1.02 -1.10 -2.88 119.74 121.41 2di7 s LYS 103 Ca -0.09 -1.05 -0.03 0.00 0.02 0.00 0.00 55.97 54.82 2di7 s LYS 103 Cb -0.09 0.31 0.07 0.00 -0.52 0.00 0.00 37.83 37.60 2di7 s LYS 103 CO -0.09 -0.25 0.06 0.12 -0.92 0.00 0.00 175.35 174.27 2di7 s PHE 104 N -3.89 0.98 -1.42 3.18 5.36 0.86 -2.80 117.98 120.25 2di7 s PHE 104 Ca 0.07 -0.95 -0.10 0.00 -0.96 0.00 0.00 56.93 54.99 2di7 s PHE 104 Cb 0.05 -1.09 0.06 0.00 -0.34 0.00 0.00 43.02 41.70 2di7 s PHE 104 CO -0.09 -0.67 0.66 1.04 -1.46 0.00 0.00 175.22 174.69 2di7 n GLN 105 N 5.06 -4.33 -1.37 10.12 1.13 -1.26 -1.03 117.38 125.70 2di7 n GLN 105 Ca -0.07 0.60 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 2di7 n GLN 105 Cb 0.46 -5.40 0.00 0.00 0.11 0.00 0.00 30.24 25.41 2di7 n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2di7 n GLY 106 N -1.40 0.71 2.61 1.08 0.00 -1.26 -5.05 105.19 101.87 2di7 n GLY 106 Ca -0.02 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 2di7 n GLY 106 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2di7 s GLN 107 N -2.94 0.15 0.21 1.61 -0.21 -0.20 -5.12 119.66 113.16 2di7 s GLN 107 Ca 0.00 -0.22 -0.32 0.00 0.02 0.00 0.00 55.36 54.84 2di7 s GLN 107 Cb 0.00 -1.72 -0.14 0.00 1.00 0.00 0.00 33.01 32.15 2di7 s GLN 107 CO 0.00 -0.75 1.38 0.72 -2.12 0.00 0.00 175.29 174.53 2di7 n HIS 108 N 5.25 2.00 -0.09 0.91 8.25 -1.26 -0.10 115.22 130.18 2di7 n HIS 108 Ca -0.07 0.46 -0.23 0.00 -0.26 0.00 0.00 57.72 57.62 2di7 n HIS 108 Cb 0.47 -2.43 -0.12 0.00 1.12 0.00 0.00 29.99 29.03 2di7 n HIS 108 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2di7 n VAL 109 N 2.03 1.58 -3.24 1.59 0.31 -1.14 -4.17 118.33 115.29 2di7 n VAL 109 Ca 0.13 -0.28 -0.07 0.00 -0.01 0.00 0.00 64.34 64.11 2di7 n VAL 109 Cb 0.29 -1.89 0.01 0.00 -0.91 0.00 0.00 33.84 31.34 2di7 n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2di7 n ALA 110 N -3.51 0.34 1.18 3.52 0.00 -1.26 -3.86 120.51 116.91 2di7 n ALA 110 Ca -0.38 -0.66 0.05 0.00 0.00 0.00 0.00 53.44 52.45 2di7 n ALA 110 Cb 0.83 0.22 0.32 0.00 0.00 0.00 0.00 19.45 20.81 2di7 n ALA 110 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2di7 n LYS 111 N -1.20 0.59 -1.19 0.00 4.01 -1.26 -4.88 118.16 114.23 2di7 n LYS 111 Ca 0.03 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.45 2di7 n LYS 111 Cb 0.19 -1.28 0.02 0.00 -0.51 0.00 0.00 35.03 33.45 2di7 n LYS 111 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2di7 n SER 112 N -0.78 -4.06 -4.77 4.39 2.88 -1.26 -4.62 113.62 105.38 2di7 n SER 112 Ca 0.08 0.53 -0.34 0.00 -1.33 0.00 0.00 58.87 57.80 2di7 n SER 112 Cb 0.04 -0.86 0.02 0.00 -0.75 0.00 0.00 64.21 62.66 2di7 n SER 112 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2di7 s PRO 113 N -1.43 3.15 -0.20 -1.46 0.04 -1.26 -4.99 135.00 128.85 2di7 s PRO 113 Ca 0.53 1.52 -0.09 0.00 0.04 0.00 0.00 61.00 63.01 2di7 s PRO 113 Cb -0.40 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 2di7 s PRO 113 CO 0.70 -0.99 0.10 0.71 0.04 0.00 0.00 177.00 177.55 2di7 s TYR 114 N -1.99 3.29 -0.34 0.56 2.02 -0.04 -4.98 117.35 115.86 2di7 s TYR 114 Ca 0.70 0.13 -0.00 0.00 -0.37 0.00 0.00 57.07 57.53 2di7 s TYR 114 Cb -0.22 -2.15 0.08 0.00 -0.40 0.00 0.00 41.96 39.27 2di7 s TYR 114 CO 0.32 0.13 0.07 0.42 -1.57 0.00 0.00 175.55 174.93 2di7 s ILE 115 N 0.59 2.86 -0.24 2.71 -1.09 -1.26 -2.96 121.20 121.81 2di7 s ILE 115 Ca 0.05 -1.86 0.00 0.00 -2.23 0.00 0.00 60.65 56.61 2di7 s ILE 115 Cb -0.12 -2.86 0.07 0.00 -1.58 0.00 0.00 42.46 37.96 2di7 s ILE 115 CO 0.01 -0.42 -0.01 -0.76 -1.23 0.00 0.00 174.94 172.53 2di7 s LEU 116 N 1.12 2.40 0.00 2.97 1.02 -1.26 -4.93 118.68 119.99 2di7 s LEU 116 Ca 0.03 -1.22 0.00 0.00 0.02 0.00 0.00 54.13 52.96 2di7 s LEU 116 Cb -0.21 -1.06 0.00 0.00 0.02 0.00 0.00 46.19 44.95 2di7 s LEU 116 CO -0.04 -0.28 0.16 2.29 0.02 0.00 0.00 176.35 178.50 2di7 n LYS 117 N 4.74 3.53 0.00 1.70 0.00 -1.26 -4.35 118.16 122.52 2di7 n LYS 117 Ca -0.09 -0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.06 2di7 n LYS 117 Cb 0.44 -0.62 0.00 0.00 -0.00 0.00 0.00 35.03 34.85 2di7 n LYS 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2di7 n GLY 118 N 0.55 1.73 2.94 2.58 0.00 -1.26 -4.64 105.19 107.10 2di7 n GLY 118 Ca 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 2di7 n GLY 118 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2di7 n SER 119 N 3.90 -2.51 -3.12 1.61 2.88 -1.26 -5.03 113.62 110.09 2di7 n SER 119 Ca 0.00 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.06 2di7 n SER 119 Cb 0.00 -4.13 0.00 0.00 -0.75 0.00 0.00 64.21 59.33 2di7 n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2di7 n GLY 120 N -1.19 -0.63 3.63 0.46 0.00 -1.26 -5.05 105.19 101.15 2di7 n GLY 120 Ca -0.19 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 2di7 n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2di7 s PRO 121 N 0.00 -0.56 -0.08 1.61 0.04 -1.26 -5.07 135.00 129.69 2di7 s PRO 121 Ca 0.00 0.17 0.03 0.00 0.04 0.00 0.00 61.00 61.24 2di7 s PRO 121 Cb 0.00 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.90 2di7 s PRO 121 CO 0.00 -3.32 -0.16 -1.12 0.04 0.00 0.00 177.00 172.44 2di7 s SER 122 N -3.71 2.23 0.52 6.66 0.01 -1.26 -5.14 113.70 113.02 2di7 s SER 122 Ca 0.69 -0.39 0.05 0.00 1.31 0.00 0.00 55.95 57.61 2di7 s SER 122 Cb -0.14 -1.01 0.03 0.00 0.21 0.00 0.00 66.02 65.11 2di7 s SER 122 CO 0.57 0.08 0.36 -0.94 0.41 0.00 0.00 173.24 173.72 2di7 s SER 123 N 0.53 4.61 0.00 2.44 1.04 -1.26 -5.35 113.70 115.71 2di7 s SER 123 Ca -0.16 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.04 2di7 s SER 123 Cb -0.16 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2di7 s SER 123 CO 0.05 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.86