#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 -0.02 -0.27 1.61 0.15 -1.26 -5.08 113.70 108.83 2di7 s SER 2 Ca 0.00 -0.75 -0.12 0.00 0.70 0.00 0.00 55.95 55.78 2di7 s SER 2 Cb 0.00 0.58 -0.14 0.00 -1.71 0.00 0.00 66.02 64.76 2di7 s SER 2 CO 0.00 -1.15 -0.29 -1.54 1.20 0.00 0.00 173.24 171.46 2di7 n SER 3 N -1.17 1.96 0.00 5.45 3.41 -1.26 -5.00 113.62 117.01 2di7 n SER 3 Ca -0.05 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2di7 n SER 3 Cb 0.60 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2di7 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2di7 n GLY 4 N 1.45 2.06 3.67 5.00 0.00 -1.26 -4.99 105.19 111.12 2di7 n GLY 4 Ca -0.51 -0.42 -0.62 0.00 0.00 0.00 0.00 46.02 44.47 2di7 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2di7 n SER 5 N 1.48 1.30 -3.38 1.61 3.41 -1.26 -4.90 113.62 111.88 2di7 n SER 5 Ca 0.00 1.15 -0.05 0.00 -0.26 0.00 0.00 58.87 59.70 2di7 n SER 5 Cb 0.00 -0.99 0.01 0.00 -0.26 0.00 0.00 64.21 62.97 2di7 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2di7 s SER 6 N 2.24 -0.07 0.00 4.04 0.15 -1.26 -5.18 113.70 113.63 2di7 s SER 6 Ca 0.98 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 56.89 2di7 s SER 6 Cb -1.29 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 2di7 s SER 6 CO 0.69 -1.22 0.00 0.61 1.20 0.00 0.00 173.24 174.52 2di7 n GLY 7 N -0.57 2.19 3.40 9.45 0.00 -1.26 -5.19 105.19 113.21 2di7 n GLY 7 Ca -0.05 0.26 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 2di7 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2di7 s GLU 8 N 0.00 1.50 -0.07 1.61 0.41 -1.26 -5.17 118.70 115.73 2di7 s GLU 8 Ca 0.00 -1.78 -0.12 0.00 -0.41 0.00 0.00 54.97 52.66 2di7 s GLU 8 Cb 0.00 -0.89 0.03 0.00 -1.78 0.00 0.00 34.13 31.48 2di7 s GLU 8 CO 0.00 -0.07 0.30 -0.08 -0.49 0.00 0.00 175.26 174.92 2di7 s THR 9 N -3.23 0.03 -0.46 3.63 -1.32 -1.26 -5.13 115.64 107.91 2di7 s THR 9 Ca 0.31 -0.25 -0.15 0.00 -1.21 0.00 0.00 61.69 60.38 2di7 s THR 9 Cb 0.06 -0.52 0.06 0.00 -1.51 0.00 0.00 72.50 70.59 2di7 s THR 9 CO 0.12 -0.14 0.38 -0.83 -2.21 0.00 0.00 174.62 171.94 2di7 s GLY 10 N -0.58 2.03 0.00 6.08 0.00 -1.26 -4.51 107.32 109.07 2di7 s GLY 10 Ca -0.07 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 42.66 2di7 s GLY 10 CO 0.02 1.03 0.00 0.61 0.00 0.00 0.00 173.10 174.77 2di7 n GLY 11 N 5.19 0.56 3.17 0.20 0.00 -1.26 -5.15 105.19 107.90 2di7 n GLY 11 Ca -0.12 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 2di7 n GLY 11 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2di7 n GLU 12 N 0.00 -3.02 -0.31 1.61 0.28 -1.26 -4.96 120.64 112.98 2di7 n GLU 12 Ca 0.00 -0.89 -0.28 0.00 -0.16 0.00 0.00 57.16 55.83 2di7 n GLU 12 Cb 0.00 -1.73 0.27 0.00 1.43 0.00 0.00 31.44 31.41 2di7 n GLU 12 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2di7 n ARG 13 N -3.45 -4.12 -3.66 3.44 1.74 -1.26 -5.04 116.66 104.31 2di7 n ARG 13 Ca 0.07 -1.22 -0.23 0.00 -0.77 0.00 0.00 57.85 55.70 2di7 n ARG 13 Cb 0.50 -1.89 -0.17 0.00 -1.02 0.00 0.00 32.46 29.88 2di7 n ARG 13 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2di7 s GLN 14 N -4.70 0.08 -0.09 5.56 -0.21 -1.26 -5.10 119.66 113.95 2di7 s GLN 14 Ca 0.63 0.13 -0.30 0.00 0.02 0.00 0.00 55.36 55.84 2di7 s GLN 14 Cb -0.13 -1.17 -0.02 0.00 1.00 0.00 0.00 33.01 32.69 2di7 s GLN 14 CO 0.55 -0.48 1.03 -1.17 -2.12 0.00 0.00 175.29 173.10 2di7 s LEU 15 N 2.12 4.26 -0.11 2.90 2.96 -1.26 -1.39 118.68 128.17 2di7 s LEU 15 Ca 0.03 1.58 0.04 0.00 -0.22 0.00 0.00 54.13 55.56 2di7 s LEU 15 Cb -0.14 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.99 2di7 s LEU 15 CO -0.06 -0.45 -0.24 -0.44 -1.32 0.00 0.00 176.35 173.85 2di7 s SER 16 N 1.13 3.08 0.12 3.68 0.01 -0.77 -4.86 113.70 116.10 2di7 s SER 16 Ca 0.50 -0.57 -0.13 0.00 1.31 0.00 0.00 55.95 57.06 2di7 s SER 16 Cb -0.19 -1.41 -0.06 0.00 0.21 0.00 0.00 66.02 64.56 2di7 s SER 16 CO 0.19 0.14 1.45 1.55 0.41 0.00 0.00 173.24 176.99 2di7 h PRO 17 N 6.82 0.83 -0.95 12.44 0.13 -1.81 -3.05 132.00 146.41 2di7 h PRO 17 Ca -0.22 -0.44 0.19 0.00 -0.87 0.00 0.00 66.00 64.67 2di7 h PRO 17 Cb 1.23 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.27 2di7 h PRO 17 CO 0.49 1.07 0.54 1.05 -0.23 0.00 0.00 178.00 180.92 2di7 h GLU 18 N 0.61 0.64 0.13 0.86 4.11 -1.68 -1.85 114.58 117.41 2di7 h GLU 18 Ca 0.05 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 2di7 h GLU 18 Cb 0.92 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2di7 h GLU 18 CO 0.08 0.43 -0.06 0.87 0.07 0.00 0.00 179.01 180.40 2di7 h LYS 19 N 0.66 -0.17 -4.63 1.06 1.79 -1.79 -3.45 116.57 110.04 2di7 h LYS 19 Ca 0.56 0.01 -0.57 0.00 -2.18 0.00 0.00 60.65 58.47 2di7 h LYS 19 Cb 0.90 0.04 0.06 0.00 -1.58 0.00 0.00 32.23 31.65 2di7 h LYS 19 CO -0.41 0.21 -0.17 0.43 -1.08 0.00 0.00 179.45 178.43 2di7 n SER 20 N -4.98 -0.46 -4.52 0.86 7.64 -0.69 -4.86 113.62 106.60 2di7 n SER 20 Ca -0.09 0.88 -0.34 0.00 1.01 0.00 0.00 58.87 60.34 2di7 n SER 20 Cb 0.24 -0.72 -0.12 0.00 -1.01 0.00 0.00 64.21 62.60 2di7 n SER 20 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2di7 s GLU 21 N -0.37 3.73 -0.19 1.43 0.41 -1.20 -4.72 118.70 117.79 2di7 s GLU 21 Ca 0.60 -0.47 -0.05 0.00 -0.41 0.00 0.00 54.97 54.64 2di7 s GLU 21 Cb -0.86 -3.04 -0.03 0.00 -1.78 0.00 0.00 34.13 28.43 2di7 s GLU 21 CO 0.44 0.18 0.00 0.42 -0.49 0.00 0.00 175.26 175.81 2di7 s ILE 22 N 0.55 4.05 0.16 -1.63 1.01 -1.26 -3.49 121.20 120.59 2di7 s ILE 22 Ca -0.01 -0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.44 2di7 s ILE 22 Cb -0.14 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 2di7 s ILE 22 CO 0.02 0.43 -0.17 -1.66 0.00 0.00 0.00 174.94 173.57 2di7 s TRP 23 N 0.88 1.72 0.00 3.97 -2.14 -1.25 -5.11 118.94 117.02 2di7 s TRP 23 Ca 0.01 -0.50 0.00 0.00 2.66 0.00 0.00 56.10 58.27 2di7 s TRP 23 Cb -0.14 -0.86 0.00 0.00 -3.10 0.00 0.00 33.47 29.37 2di7 s TRP 23 CO 0.02 0.29 0.00 0.41 -2.66 0.00 0.00 176.95 175.01 2di7 n GLY 24 N 0.25 4.19 0.00 3.67 0.00 -1.26 -3.62 105.19 108.42 2di7 n GLY 24 Ca -0.13 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.13 0.22 0.02 1.61 -0.04 -1.26 -3.15 135.00 131.28 2di7 n PRO 25 Ca 0.00 0.14 0.03 0.00 -0.04 0.00 0.00 63.50 63.63 2di7 n PRO 25 Cb 0.00 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.08 2di7 n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2di7 n GLY 26 N -0.03 -0.63 1.85 0.55 0.00 -1.26 -1.33 105.19 104.33 2di7 n GLY 26 Ca 0.07 0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 2di7 n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2di7 n LEU 27 N -1.61 5.55 -4.84 0.99 4.32 -1.19 -4.93 117.00 115.29 2di7 n LEU 27 Ca 0.00 -2.88 -0.24 0.00 -0.02 0.00 0.00 56.01 52.88 2di7 n LEU 27 Cb 0.03 -0.71 -0.04 0.00 -1.62 0.00 0.00 43.42 41.08 2di7 n LEU 27 CO 0.04 0.74 -0.03 -0.54 -1.22 0.00 0.00 177.39 176.37 2di7 s LYS 28 N -2.64 2.34 0.03 3.23 -0.14 -0.44 -5.07 119.74 117.05 2di7 s LYS 28 Ca 0.48 -1.80 -0.14 0.00 -1.36 0.00 0.00 55.97 53.14 2di7 s LYS 28 Cb 0.38 -2.15 -0.07 0.00 -1.68 0.00 0.00 37.83 34.31 2di7 s LYS 28 CO 0.12 -0.31 1.21 0.00 -0.76 0.00 0.00 175.35 175.61 2di7 h ALA 29 N 1.06 -0.97 -3.26 5.17 0.00 -1.92 -3.42 119.26 115.92 2di7 h ALA 29 Ca -0.40 -0.08 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 2di7 h ALA 29 Cb 1.27 0.37 -0.31 0.00 0.00 0.00 0.00 17.79 19.13 2di7 h ALA 29 CO 0.61 -0.97 -0.83 0.34 0.00 0.00 0.00 179.25 178.41 2di7 s ASP 30 N -2.98 3.46 0.06 0.00 2.15 -1.26 -4.98 116.67 113.12 2di7 s ASP 30 Ca -0.07 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.42 2di7 s ASP 30 Cb 0.01 -1.51 0.00 0.00 -0.30 0.00 0.00 42.92 41.13 2di7 s ASP 30 CO 0.23 0.12 0.00 1.33 -0.17 0.00 0.00 175.17 176.68 2di7 n VAL 31 N 3.80 0.27 -3.66 1.11 0.24 -1.26 -5.07 118.33 113.76 2di7 n VAL 31 Ca -0.19 0.09 -0.13 0.00 -2.04 0.00 0.00 64.34 62.07 2di7 n VAL 31 Cb 0.52 -1.17 -0.08 0.00 -1.47 0.00 0.00 33.84 31.64 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 -2.00 -0.00 0.11 3.34 -7.23 -1.26 -5.04 120.40 108.32 2di7 s VAL 32 Ca 0.00 0.00 -0.33 0.00 -1.81 0.00 0.00 61.98 59.84 2di7 s VAL 32 Cb 0.00 -0.88 -0.13 0.00 0.56 0.00 0.00 36.38 35.93 2di7 s VAL 32 CO 0.00 0.00 1.54 0.25 -0.31 0.00 0.00 175.10 176.58 2di7 h LEU 33 N 5.32 -1.65 0.00 1.32 5.85 -2.00 -3.37 115.31 120.78 2di7 h LEU 33 Ca -0.29 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2di7 h LEU 33 Cb 1.17 0.64 0.00 0.00 0.37 0.00 0.00 40.66 42.84 2di7 h LEU 33 CO 0.11 -0.49 0.00 -0.81 -0.34 0.00 0.00 178.44 176.91 2di7 n PRO 34 N -5.36 0.00 -3.55 5.25 -0.04 -1.26 -4.81 135.00 125.22 2di7 n PRO 34 Ca -0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.24 2di7 n PRO 34 Cb 0.38 -0.23 -0.06 0.00 -0.04 0.00 0.00 33.50 33.54 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 -1.81 0.30 0.55 0.00 -1.26 -4.91 121.76 111.66 2di7 s ALA 35 Ca 0.00 1.52 0.11 0.00 0.00 0.00 0.00 51.96 53.58 2di7 s ALA 35 Cb 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 2di7 s ALA 35 CO 0.00 -0.35 -0.15 0.50 0.00 0.00 0.00 175.76 175.77 2di7 s ARG 36 N -0.84 1.78 0.00 0.00 3.52 -1.26 -4.97 118.95 117.17 2di7 s ARG 36 Ca -0.07 -1.81 0.08 0.00 -0.13 0.00 0.00 55.73 53.81 2di7 s ARG 36 Cb -0.01 -1.78 -0.02 0.00 -1.56 0.00 0.00 34.95 31.58 2di7 s ARG 36 CO 0.06 0.26 -0.25 1.52 -0.81 0.00 0.00 175.30 176.09 2di7 s TYR 37 N -2.53 2.38 0.41 5.12 -0.85 -1.26 -4.84 117.35 115.78 2di7 s TYR 37 Ca 0.31 -0.39 0.08 0.00 -0.52 0.00 0.00 57.07 56.54 2di7 s TYR 37 Cb -0.02 -1.47 -0.04 0.00 0.38 0.00 0.00 41.96 40.80 2di7 s TYR 37 CO 0.16 0.05 0.26 -0.59 -1.52 0.00 0.00 175.55 173.91 2di7 s PHE 38 N -0.71 2.66 0.17 -3.49 -0.71 -1.25 -4.93 117.98 109.73 2di7 s PHE 38 Ca 0.11 -0.53 0.05 0.00 -1.04 0.00 0.00 56.93 55.53 2di7 s PHE 38 Cb -0.10 -2.02 -0.04 0.00 -1.21 0.00 0.00 43.02 39.65 2di7 s PHE 38 CO 0.01 0.07 0.12 0.71 -1.34 0.00 0.00 175.22 174.79 2di7 s TYR 39 N -2.53 3.11 -0.03 3.49 2.02 -1.24 -3.11 117.35 119.06 2di7 s TYR 39 Ca 0.44 -0.04 0.01 0.00 -0.37 0.00 0.00 57.07 57.11 2di7 s TYR 39 Cb 0.00 -1.49 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 2di7 s TYR 39 CO 0.25 0.52 -0.04 0.42 -1.57 0.00 0.00 175.55 175.13 2di7 s ILE 40 N -1.77 0.42 -0.10 2.71 1.01 -1.23 -3.79 121.20 118.45 2di7 s ILE 40 Ca 0.31 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.87 2di7 s ILE 40 Cb -0.10 -0.43 -0.01 0.00 0.01 0.00 0.00 42.46 41.93 2di7 s ILE 40 CO 0.23 0.17 -0.20 -1.58 0.00 0.00 0.00 174.94 173.56 2di7 s GLN 41 N 0.58 3.01 0.30 2.79 2.00 -1.23 -3.55 119.66 123.56 2di7 s GLN 41 Ca -0.07 -0.81 -0.18 0.00 -2.00 0.00 0.00 55.36 52.31 2di7 s GLN 41 Cb -0.10 -2.38 -0.09 0.00 0.80 0.00 0.00 33.01 31.23 2di7 s GLN 41 CO -0.00 0.27 0.76 0.00 -0.50 0.00 0.00 175.29 175.82 2di7 s ALA 42 N 0.15 3.32 -0.02 1.58 0.00 -1.26 -3.21 121.76 122.31 2di7 s ALA 42 Ca -0.11 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 2di7 s ALA 42 Cb -0.16 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2di7 s ALA 42 CO 0.06 0.30 0.08 0.08 0.00 0.00 0.00 175.76 176.29 2di7 s VAL 43 N -1.84 0.02 1.26 0.00 1.01 -1.26 -3.31 120.40 116.29 2di7 s VAL 43 Ca 0.51 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 2di7 s VAL 43 Cb -0.13 -0.18 0.31 0.00 0.00 0.00 0.00 36.38 36.38 2di7 s VAL 43 CO 0.18 -0.10 1.10 -0.62 0.00 0.00 0.00 175.10 175.66 2di7 s ASP 44 N -0.30 0.41 0.00 3.32 2.15 -0.97 -1.84 116.67 119.44 2di7 s ASP 44 Ca -0.04 0.52 0.05 0.00 0.43 0.00 0.00 52.55 53.52 2di7 s ASP 44 Cb -0.03 -0.68 0.31 0.00 -0.30 0.00 0.00 42.92 42.23 2di7 s ASP 44 CO 0.00 -4.42 1.18 0.35 -0.17 0.00 0.00 175.17 172.11 2di7 n THR 45 N -4.95 0.00 -0.04 1.71 -2.24 -0.48 -3.57 114.28 104.71 2di7 n THR 45 Ca 0.15 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.86 2di7 n THR 45 Cb 0.60 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 2di7 n THR 45 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2di7 n SER 46 N -0.58 1.88 0.00 3.42 2.88 -1.26 -5.05 113.62 114.90 2di7 n SER 46 Ca 0.04 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2di7 n SER 46 Cb 0.02 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 2di7 n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2di7 n GLY 47 N 2.79 0.50 3.25 0.46 0.00 -1.23 -5.16 105.19 105.81 2di7 n GLY 47 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.73 2.82 0.33 1.61 0.01 -1.26 -4.94 114.94 112.78 2di7 s ASN 48 Ca 0.00 -0.45 -0.29 0.00 -0.71 0.00 0.00 52.86 51.41 2di7 s ASN 48 Cb 0.00 -0.57 -0.11 0.00 0.41 0.00 0.00 41.25 40.99 2di7 s ASN 48 CO 0.00 0.25 1.39 -0.54 -1.51 0.00 0.00 177.10 176.69 2di7 s LYS 49 N -0.31 4.26 -0.05 -0.60 1.02 -1.26 -2.29 119.74 120.51 2di7 s LYS 49 Ca 0.02 2.35 -0.22 0.00 0.02 0.00 0.00 55.97 58.15 2di7 s LYS 49 Cb -0.11 -3.04 -0.32 0.00 -0.52 0.00 0.00 37.83 33.84 2di7 s LYS 49 CO 0.01 -0.34 0.90 0.74 -0.92 0.00 0.00 175.35 175.74 2di7 h PHE 50 N 3.51 0.56 -3.18 3.18 0.04 -1.93 -3.47 116.94 115.65 2di7 h PHE 50 Ca -0.49 -0.41 -0.17 0.00 2.80 0.00 0.00 57.97 59.70 2di7 h PHE 50 Cb 1.23 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.33 2di7 h PHE 50 CO 0.56 1.32 -0.19 0.25 -0.60 0.00 0.00 178.31 179.64 2di7 n THR 51 N -4.11 -0.24 -4.26 -1.55 -2.24 -1.26 -4.90 114.28 95.72 2di7 n THR 51 Ca -0.14 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.48 2di7 n THR 51 Cb 0.83 -1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.90 1.97 -0.42 3.42 1.04 -1.26 -4.23 113.70 112.34 2di7 s SER 52 Ca 0.00 -0.96 -0.28 0.00 0.48 0.00 0.00 55.95 55.19 2di7 s SER 52 Cb 0.00 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.10 2di7 s SER 52 CO 0.00 -0.25 1.08 -0.55 0.98 0.00 0.00 173.24 174.50 2di7 s SER 53 N -3.00 6.72 0.03 7.02 0.15 -0.16 -4.00 113.70 120.46 2di7 s SER 53 Ca 0.15 0.63 -0.21 0.00 0.70 0.00 0.00 55.95 57.22 2di7 s SER 53 Cb -0.00 -2.53 -0.16 0.00 -1.71 0.00 0.00 66.02 61.62 2di7 s SER 53 CO 0.02 -1.08 1.33 1.55 1.20 0.00 0.00 173.24 176.26 2di7 h PRO 54 N 8.79 0.28 0.00 5.44 0.13 -1.98 -3.50 132.00 141.16 2di7 h PRO 54 Ca -0.22 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2di7 h PRO 54 Cb 1.06 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2di7 h PRO 54 CO 1.08 0.69 0.00 0.41 -0.23 0.00 0.00 178.00 179.94 2di7 n GLY 55 N 0.20 -0.67 0.00 1.56 0.00 -1.26 -5.06 105.19 99.96 2di7 n GLY 55 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2di7 n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2di7 n GLU 56 N 0.00 0.00 -3.69 1.61 2.13 -1.26 -4.86 120.64 114.57 2di7 n GLU 56 Ca 0.00 0.12 -0.37 0.00 0.66 0.00 0.00 57.16 57.56 2di7 n GLU 56 Cb 0.00 -0.62 -0.09 0.00 0.27 0.00 0.00 31.44 31.00 2di7 n GLU 56 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2di7 s LYS 57 N -1.00 2.55 -0.03 5.31 -0.14 -1.26 -4.82 119.74 120.34 2di7 s LYS 57 Ca 0.00 -2.39 -0.00 0.00 -1.36 0.00 0.00 55.97 52.22 2di7 s LYS 57 Cb 0.00 -3.77 -0.02 0.00 -1.68 0.00 0.00 37.83 32.37 2di7 s LYS 57 CO 0.00 -1.17 -0.03 1.33 -0.76 0.00 0.00 175.35 174.72 2di7 n VAL 58 N 3.75 0.16 -3.86 3.17 0.24 -1.26 -5.01 118.33 115.53 2di7 n VAL 58 Ca 0.06 -0.05 -0.36 0.00 -2.04 0.00 0.00 64.34 61.95 2di7 n VAL 58 Cb 0.39 -0.93 -0.11 0.00 -1.47 0.00 0.00 33.84 31.72 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 -2.06 3.16 0.13 6.34 0.08 -1.26 -3.90 117.98 120.48 2di7 s PHE 59 Ca -0.04 -0.16 0.09 0.00 0.12 0.00 0.00 56.93 56.94 2di7 s PHE 59 Cb 0.01 -2.19 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 2di7 s PHE 59 CO 0.06 -0.13 -0.14 -1.14 -0.10 0.00 0.00 175.22 173.78 2di7 s GLN 60 N 1.12 1.94 -0.06 0.44 0.74 -0.49 -4.87 119.66 118.47 2di7 s GLN 60 Ca 0.05 -1.18 -0.00 0.00 0.05 0.00 0.00 55.36 54.27 2di7 s GLN 60 Cb -0.14 -2.17 0.03 0.00 1.10 0.00 0.00 33.01 31.83 2di7 s GLN 60 CO 0.03 0.47 -0.02 0.08 -0.55 0.00 0.00 175.29 175.30 2di7 s VAL 61 N -1.34 0.48 -0.05 1.34 1.01 -1.26 -1.81 120.40 118.76 2di7 s VAL 61 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 2di7 s VAL 61 Cb -0.10 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2di7 s VAL 61 CO 0.13 0.25 0.04 -0.75 0.00 0.00 0.00 175.10 174.77 2di7 s LYS 62 N 1.54 3.02 -0.05 2.72 2.47 0.11 -4.85 119.74 124.71 2di7 s LYS 62 Ca -0.01 -0.43 0.03 0.00 -1.56 0.00 0.00 55.97 53.99 2di7 s LYS 62 Cb -0.13 -2.84 0.00 0.00 -1.46 0.00 0.00 37.83 33.41 2di7 s LYS 62 CO -0.03 0.68 -0.14 0.08 0.16 0.00 0.00 175.35 176.10 2di7 s VAL 63 N -1.03 1.17 0.06 4.02 1.01 -1.26 -1.54 120.40 122.84 2di7 s VAL 63 Ca 0.17 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 2di7 s VAL 63 Cb -0.12 -1.03 0.06 0.00 0.00 0.00 0.00 36.38 35.29 2di7 s VAL 63 CO 0.07 0.35 0.55 -0.55 0.00 0.00 0.00 175.10 175.53 2di7 s SER 64 N 0.27 -0.49 -0.06 3.32 0.15 -1.20 -4.77 113.70 110.93 2di7 s SER 64 Ca -0.07 0.19 -0.03 0.00 0.70 0.00 0.00 55.95 56.75 2di7 s SER 64 Cb -0.12 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 2di7 s SER 64 CO 0.02 -0.76 0.07 0.00 1.20 0.00 0.00 173.24 173.77 2di7 s ALA 65 N -2.59 3.57 0.21 5.45 0.00 -1.26 -1.27 121.76 125.86 2di7 s ALA 65 Ca -0.04 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 2di7 s ALA 65 Cb -0.01 -1.65 0.16 0.00 0.00 0.00 0.00 23.12 21.62 2di7 s ALA 65 CO -0.03 0.64 1.56 -1.00 0.00 0.00 0.00 175.76 176.93 2di7 h PRO 66 N 4.70 0.62 0.00 0.00 0.13 -1.94 -3.35 132.00 132.16 2di7 h PRO 66 Ca -0.51 -0.33 -0.00 0.00 -0.87 0.00 0.00 66.00 64.29 2di7 h PRO 66 Cb 1.20 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2di7 h PRO 66 CO 0.58 0.92 -0.07 0.93 -0.23 0.00 0.00 178.00 180.14 2di7 h GLU 67 N 0.51 0.00 -5.80 0.86 4.39 -1.95 -3.44 114.58 109.15 2di7 h GLU 67 Ca 0.04 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.20 2di7 h GLU 67 Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2di7 h GLU 67 CO 0.08 0.06 1.56 0.39 -1.16 0.00 0.00 179.01 179.94 2di7 n GLU 68 N -4.75 1.47 0.29 2.33 1.02 -1.26 -4.79 120.64 114.95 2di7 n GLU 68 Ca -0.02 0.28 0.18 0.00 -0.02 0.00 0.00 57.16 57.58 2di7 n GLU 68 Cb 0.06 -3.23 0.93 0.00 -0.02 0.00 0.00 31.44 29.18 2di7 n GLU 68 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 2di7 h GLN 69 N 16.75 0.00 -3.73 3.49 3.07 -1.85 -3.38 115.11 129.46 2di7 h GLN 69 Ca -0.32 0.00 -0.47 0.00 0.09 0.00 0.00 58.65 57.95 2di7 h GLN 69 Cb 1.26 0.00 -0.38 0.00 0.08 0.00 0.00 27.48 28.44 2di7 h GLN 69 CO 1.06 0.00 -0.77 0.12 0.09 0.00 0.00 178.83 179.33 2di7 s PHE 70 N -4.28 0.85 -0.04 0.06 5.36 -1.26 -5.08 117.98 113.59 2di7 s PHE 70 Ca -0.04 -0.39 0.06 0.00 -0.96 0.00 0.00 56.93 55.60 2di7 s PHE 70 Cb 0.12 -0.90 -0.01 0.00 -0.34 0.00 0.00 43.02 41.88 2di7 s PHE 70 CO 0.40 -0.41 -0.23 0.99 -1.46 0.00 0.00 175.22 174.51 2di7 s THR 71 N 1.92 1.84 -0.20 0.12 2.01 -1.26 -5.00 115.64 115.07 2di7 s THR 71 Ca 0.04 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 61.06 2di7 s THR 71 Cb -0.13 -1.54 0.05 0.00 0.01 0.00 0.00 72.50 70.89 2di7 s THR 71 CO -0.06 0.52 -0.03 0.00 -0.69 0.00 0.00 174.62 174.36 2di7 s ARG 72 N -0.32 1.27 -0.01 4.92 1.70 -1.26 -5.00 118.95 120.25 2di7 s ARG 72 Ca 0.03 -0.68 0.00 0.00 -0.47 0.00 0.00 55.73 54.61 2di7 s ARG 72 Cb -0.11 -2.27 0.01 0.00 -0.57 0.00 0.00 34.95 32.02 2di7 s ARG 72 CO 0.01 -0.56 0.00 0.08 -1.08 0.00 0.00 175.30 173.75 2di7 s VAL 73 N 1.61 0.07 -1.18 4.99 1.01 -1.26 -5.04 120.40 120.60 2di7 s VAL 73 Ca -0.02 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 2di7 s VAL 73 Cb -0.17 -0.13 0.21 0.00 0.00 0.00 0.00 36.38 36.30 2di7 s VAL 73 CO -0.07 0.07 1.42 0.61 0.00 0.00 0.00 175.10 177.13 2di7 n GLY 74 N 3.59 3.99 3.72 4.51 0.00 -1.26 -4.95 105.19 114.79 2di7 n GLY 74 Ca -0.20 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.16 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 0.18 4.23 -0.02 1.61 1.01 -1.26 -3.87 120.40 122.28 2di7 s VAL 75 Ca 0.38 1.75 0.01 0.00 0.00 0.00 0.00 61.98 64.12 2di7 s VAL 75 Cb -0.02 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.25 2di7 s VAL 75 CO -0.01 0.22 -0.03 -1.58 0.00 0.00 0.00 175.10 173.69 2di7 s GLN 76 N 0.37 0.46 -0.22 2.72 0.74 0.37 -5.00 119.66 119.10 2di7 s GLN 76 Ca 0.52 -0.09 -0.05 0.00 0.05 0.00 0.00 55.36 55.80 2di7 s GLN 76 Cb -0.27 -0.50 -0.02 0.00 1.10 0.00 0.00 33.01 33.33 2di7 s GLN 76 CO 0.31 -0.00 -0.02 0.14 -0.55 0.00 0.00 175.29 175.17 2di7 s VAL 77 N 0.41 3.65 0.27 1.34 -7.23 -1.26 -1.82 120.40 115.77 2di7 s VAL 77 Ca -0.04 -0.40 0.10 0.00 -1.81 0.00 0.00 61.98 59.82 2di7 s VAL 77 Cb -0.08 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2di7 s VAL 77 CO -0.00 0.41 -0.01 -0.76 -0.31 0.00 0.00 175.10 174.43 2di7 s LEU 78 N 1.35 3.15 -0.35 1.32 2.01 -0.72 -4.92 118.68 120.52 2di7 s LEU 78 Ca 0.04 -0.69 -0.19 0.00 0.01 0.00 0.00 54.13 53.30 2di7 s LEU 78 Cb -0.14 -1.66 -0.00 0.00 0.01 0.00 0.00 46.19 44.39 2di7 s LEU 78 CO -0.01 -0.02 0.57 1.51 1.01 0.00 0.00 176.35 179.41 2di7 s ASP 79 N -3.68 6.37 -0.21 2.29 1.47 -1.26 -0.99 116.67 120.66 2di7 s ASP 79 Ca 0.32 0.07 -0.16 0.00 1.18 0.00 0.00 52.55 53.96 2di7 s ASP 79 Cb -0.06 -2.29 -0.11 0.00 -0.34 0.00 0.00 42.92 40.12 2di7 s ASP 79 CO 0.20 -0.52 -0.17 0.54 0.68 0.00 0.00 175.17 175.90 2di7 n ARG 80 N 5.87 0.54 -4.16 2.11 1.74 -1.21 -4.98 116.66 116.57 2di7 n ARG 80 Ca -0.03 0.39 -0.25 0.00 -0.77 0.00 0.00 57.85 57.19 2di7 n ARG 80 Cb 0.49 -1.59 -0.07 0.00 -1.02 0.00 0.00 32.46 30.26 2di7 n ARG 80 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2di7 s LYS 81 N -2.50 2.22 0.28 5.56 1.02 -1.24 -4.99 119.74 120.09 2di7 s LYS 81 Ca -0.29 -1.80 0.02 0.00 0.02 0.00 0.00 55.97 53.92 2di7 s LYS 81 Cb 0.07 -1.99 0.66 0.00 -0.52 0.00 0.00 37.83 36.06 2di7 s LYS 81 CO 0.45 -0.06 1.73 0.22 -0.92 0.00 0.00 175.35 176.77 2di7 h ASP 82 N 1.49 0.48 -0.78 2.83 1.82 -1.92 -2.60 116.42 117.74 2di7 h ASP 82 Ca -0.43 0.12 -0.46 0.00 -0.39 0.00 0.00 57.03 55.87 2di7 h ASP 82 Cb 1.25 0.06 -0.42 0.00 0.68 0.00 0.00 39.33 40.90 2di7 h ASP 82 CO 0.69 0.12 -0.91 0.61 -1.61 0.00 0.00 179.24 178.14 2di7 n GLY 83 N -1.33 4.79 3.22 -0.78 0.00 -1.26 -0.99 105.19 108.85 2di7 n GLY 83 Ca 0.21 -2.16 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 2di7 n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2di7 s SER 84 N -3.62 0.21 0.15 1.61 0.15 -0.98 -4.41 113.70 106.81 2di7 s SER 84 Ca 0.43 -1.01 -0.05 0.00 0.70 0.00 0.00 55.95 56.01 2di7 s SER 84 Cb 0.39 0.34 -0.02 0.00 -1.71 0.00 0.00 66.02 65.02 2di7 s SER 84 CO -0.01 -0.78 0.18 -0.36 1.20 0.00 0.00 173.24 173.47 2di7 s PHE 85 N -3.99 0.64 -0.04 3.44 0.40 -1.23 -3.31 117.98 113.89 2di7 s PHE 85 Ca 0.18 -1.00 0.02 0.00 -0.60 0.00 0.00 56.93 55.53 2di7 s PHE 85 Cb 0.06 -0.26 0.01 0.00 0.51 0.00 0.00 43.02 43.34 2di7 s PHE 85 CO -0.01 -0.64 -0.09 -1.50 0.70 0.00 0.00 175.22 173.68 2di7 s ILE 86 N -4.02 0.81 -0.28 0.64 2.07 -0.16 -3.51 121.20 116.76 2di7 s ILE 86 Ca 0.22 -0.33 -0.09 0.00 -1.41 0.00 0.00 60.65 59.04 2di7 s ILE 86 Cb 0.05 -0.75 -0.02 0.00 0.13 0.00 0.00 42.46 41.87 2di7 s ILE 86 CO 0.02 0.27 0.11 -0.69 -1.91 0.00 0.00 174.94 172.74 2di7 s VAL 87 N 0.51 4.51 0.07 4.00 1.01 -1.18 -1.76 120.40 127.56 2di7 s VAL 87 Ca -0.09 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.69 2di7 s VAL 87 Cb -0.12 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2di7 s VAL 87 CO 0.01 0.22 -0.12 -0.13 0.00 0.00 0.00 175.10 175.08 2di7 s ARG 88 N 1.62 0.78 0.06 2.72 0.52 -0.75 -3.78 118.95 120.12 2di7 s ARG 88 Ca 0.06 -0.97 -0.15 0.00 -0.52 0.00 0.00 55.73 54.14 2di7 s ARG 88 Cb -0.16 -0.67 0.03 0.00 0.52 0.00 0.00 34.95 34.67 2di7 s ARG 88 CO 0.05 0.14 0.34 1.52 0.02 0.00 0.00 175.30 177.37 2di7 s TYR 89 N -1.58 -0.15 -0.05 -0.53 1.13 -1.26 -0.48 117.35 114.42 2di7 s TYR 89 Ca -0.01 0.00 -0.06 0.00 -1.41 0.00 0.00 57.07 55.59 2di7 s TYR 89 Cb -0.08 0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.88 2di7 s TYR 89 CO 0.01 -0.55 0.19 0.50 -2.51 0.00 0.00 175.55 173.20 2di7 s ARG 90 N -2.77 3.49 -0.27 -3.49 6.06 -1.25 -4.88 118.95 115.84 2di7 s ARG 90 Ca -0.03 -0.16 -0.22 0.00 -2.50 0.00 0.00 55.73 52.82 2di7 s ARG 90 Cb -0.00 -3.14 0.08 0.00 0.06 0.00 0.00 34.95 31.95 2di7 s ARG 90 CO -0.05 0.71 0.73 1.41 -2.50 0.00 0.00 175.30 175.61 2di7 s MET 91 N -1.49 0.77 -0.43 5.12 -2.45 -1.26 -4.37 119.30 115.20 2di7 s MET 91 Ca 0.22 1.04 0.08 0.00 -1.25 0.00 0.00 55.69 55.78 2di7 s MET 91 Cb -0.13 0.31 0.42 0.00 1.25 0.00 0.00 34.83 36.68 2di7 s MET 91 CO 0.12 -0.11 1.06 0.66 1.05 0.00 0.00 175.02 177.80 2di7 n TYR 92 N 3.20 2.99 -3.72 4.11 4.02 -1.26 -4.89 117.16 121.60 2di7 n TYR 92 Ca -0.16 -3.13 -0.07 0.00 -0.01 0.00 0.00 57.90 54.54 2di7 n TYR 92 Cb 0.56 -0.17 -0.02 0.00 -0.02 0.00 0.00 39.34 39.70 2di7 n TYR 92 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2di7 s ALA 93 N -3.44 -1.48 -0.07 -0.72 0.00 -1.26 -5.16 121.76 109.64 2di7 s ALA 93 Ca 0.44 0.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.34 2di7 s ALA 93 Cb 0.40 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 24.22 2di7 s ALA 93 CO -0.14 -0.96 0.41 -1.12 0.00 0.00 0.00 175.76 173.95 2di7 s SER 94 N -2.85 6.70 -0.09 0.00 0.01 -1.26 -4.91 113.70 111.29 2di7 s SER 94 Ca 0.09 0.83 0.01 0.00 1.31 0.00 0.00 55.95 58.20 2di7 s SER 94 Cb -0.03 -2.25 0.02 0.00 0.21 0.00 0.00 66.02 63.97 2di7 s SER 94 CO 0.01 0.18 -0.12 -0.72 0.41 0.00 0.00 173.24 173.00 2di7 s TYR 95 N -0.26 1.64 -0.03 2.43 -0.85 -1.26 -5.01 117.35 114.01 2di7 s TYR 95 Ca 0.23 -0.73 0.06 0.00 -0.52 0.00 0.00 57.07 56.11 2di7 s TYR 95 Cb -0.15 -1.24 -0.24 0.00 0.38 0.00 0.00 41.96 40.71 2di7 s TYR 95 CO 0.11 -0.42 0.73 -0.22 -1.52 0.00 0.00 175.55 174.23 2di7 h LYS 96 N 7.48 0.09 -3.41 -3.49 1.63 -1.98 -3.47 116.57 113.42 2di7 h LYS 96 Ca -0.31 -0.15 -0.21 0.00 -0.85 0.00 0.00 60.65 59.13 2di7 h LYS 96 Cb 1.17 0.06 -0.28 0.00 -0.60 0.00 0.00 32.23 32.57 2di7 h LYS 96 CO 0.46 0.78 -0.58 -0.80 -3.45 0.00 0.00 179.45 175.86 2di7 s ASN 97 N -6.47 -0.12 0.06 4.20 0.01 -1.26 -4.87 114.94 106.49 2di7 s ASN 97 Ca -0.08 0.25 -0.04 0.00 -0.71 0.00 0.00 52.86 52.29 2di7 s ASN 97 Cb 0.08 0.23 -0.02 0.00 0.41 0.00 0.00 41.25 41.95 2di7 s ASN 97 CO 0.82 -0.06 0.06 -0.76 -1.51 0.00 0.00 177.10 175.65 2di7 s LEU 98 N 0.28 2.05 -0.07 0.60 1.43 -1.26 -4.76 118.68 116.96 2di7 s LEU 98 Ca -0.02 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.27 2di7 s LEU 98 Cb -0.03 0.53 -0.03 0.00 0.03 0.00 0.00 46.19 46.69 2di7 s LEU 98 CO -0.01 -0.63 -0.10 -0.75 0.23 0.00 0.00 176.35 175.09 2di7 s LYS 99 N -3.73 2.70 -0.02 1.70 2.20 -0.40 -4.21 119.74 117.99 2di7 s LYS 99 Ca 0.05 -0.61 0.03 0.00 -0.36 0.00 0.00 55.97 55.07 2di7 s LYS 99 Cb 0.06 -2.51 -0.03 0.00 -1.51 0.00 0.00 37.83 33.83 2di7 s LYS 99 CO -0.10 0.62 -0.08 0.08 -0.36 0.00 0.00 175.35 175.51 2di7 s VAL 100 N -0.70 3.56 -0.07 4.02 1.01 -1.23 -3.21 120.40 123.77 2di7 s VAL 100 Ca 0.11 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 2di7 s VAL 100 Cb -0.11 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.80 2di7 s VAL 100 CO 0.01 0.46 0.15 -1.61 0.00 0.00 0.00 175.10 174.10 2di7 s GLU 101 N -1.22 0.05 -0.15 2.72 2.02 -0.59 -1.84 118.70 119.69 2di7 s GLU 101 Ca 0.15 0.47 0.00 0.00 0.02 0.00 0.00 54.97 55.61 2di7 s GLU 101 Cb -0.11 -0.24 0.03 0.00 0.10 0.00 0.00 34.13 33.91 2di7 s GLU 101 CO 0.05 -0.25 -0.10 0.42 0.02 0.00 0.00 175.26 175.41 2di7 s ILE 102 N 1.81 1.34 0.13 -1.63 1.09 -1.26 0.04 121.20 122.70 2di7 s ILE 102 Ca -0.02 -0.61 0.05 0.00 -1.10 0.00 0.00 60.65 58.97 2di7 s ILE 102 Cb -0.12 -1.37 -0.04 0.00 -1.06 0.00 0.00 42.46 39.88 2di7 s ILE 102 CO -0.06 0.30 -0.12 -0.54 -0.10 0.00 0.00 174.94 174.43 2di7 s LYS 103 N 1.56 1.00 -0.30 2.79 1.02 -0.75 -1.55 119.74 123.50 2di7 s LYS 103 Ca 0.03 -1.29 -0.02 0.00 0.02 0.00 0.00 55.97 54.71 2di7 s LYS 103 Cb -0.14 -0.73 0.10 0.00 -0.52 0.00 0.00 37.83 36.54 2di7 s LYS 103 CO -0.09 0.12 0.10 0.12 -0.92 0.00 0.00 175.35 174.68 2di7 s PHE 104 N -2.61 1.39 -1.72 3.18 5.36 0.68 -1.40 117.98 122.86 2di7 s PHE 104 Ca 0.11 -1.53 0.00 0.00 -0.96 0.00 0.00 56.93 54.54 2di7 s PHE 104 Cb -0.02 -1.53 0.00 0.00 -0.34 0.00 0.00 43.02 41.14 2di7 s PHE 104 CO 0.02 -0.86 0.00 1.04 -1.46 0.00 0.00 175.22 173.95 2di7 n GLN 105 N 4.94 -1.53 -0.77 10.12 6.02 -1.25 -2.28 117.38 132.63 2di7 n GLN 105 Ca -0.03 0.98 0.00 0.00 -0.01 0.00 0.00 57.00 57.94 2di7 n GLN 105 Cb 0.42 -5.53 0.00 0.00 1.02 0.00 0.00 30.24 26.15 2di7 n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2di7 n GLY 106 N -0.96 1.33 2.67 1.08 0.00 -1.26 -5.08 105.19 102.96 2di7 n GLY 106 Ca -0.23 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.11 0.01 0.62 1.61 -0.21 -0.97 -5.14 119.66 113.47 2di7 s GLN 107 Ca 0.00 0.19 -0.18 0.00 0.02 0.00 0.00 55.36 55.40 2di7 s GLN 107 Cb 0.00 -1.09 -0.06 0.00 1.00 0.00 0.00 33.01 32.86 2di7 s GLN 107 CO 0.00 -0.49 0.69 0.72 -2.12 0.00 0.00 175.29 174.08 2di7 n HIS 108 N 5.30 -0.17 -0.06 0.91 8.25 -1.26 -0.23 115.22 127.96 2di7 n HIS 108 Ca -0.05 0.42 -0.13 0.00 -0.26 0.00 0.00 57.72 57.70 2di7 n HIS 108 Cb 0.50 -2.01 -0.05 0.00 1.12 0.00 0.00 29.99 29.55 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 -1.89 0.69 -3.89 1.59 0.31 -0.60 -3.23 118.33 111.31 2di7 n VAL 109 Ca 0.12 -0.18 -0.12 0.00 -0.01 0.00 0.00 64.34 64.15 2di7 n VAL 109 Cb 0.48 -1.59 -0.01 0.00 -0.91 0.00 0.00 33.84 31.81 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 -3.49 0.29 -0.74 3.52 0.00 -1.26 -4.01 120.51 114.83 2di7 n ALA 110 Ca -0.24 -0.93 -0.08 0.00 0.00 0.00 0.00 53.44 52.19 2di7 n ALA 110 Cb 0.68 0.43 -0.12 0.00 0.00 0.00 0.00 19.45 20.44 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 -0.86 1.47 -2.87 0.00 4.76 -1.26 -4.88 118.16 114.53 2di7 n LYS 111 Ca -0.04 -0.70 -0.26 0.00 -2.87 0.00 0.00 58.31 54.45 2di7 n LYS 111 Cb 0.26 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 2di7 n LYS 111 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2di7 s SER 112 N 2.20 6.13 0.68 4.39 0.01 -1.26 -4.32 113.70 121.53 2di7 s SER 112 Ca 0.47 0.67 -0.14 0.00 1.31 0.00 0.00 55.95 58.26 2di7 s SER 112 Cb 0.22 -2.02 0.01 0.00 0.21 0.00 0.00 66.02 64.45 2di7 s SER 112 CO 0.00 -0.57 1.11 -2.16 0.41 0.00 0.00 173.24 172.02 2di7 s PRO 113 N -4.62 2.68 -0.48 12.44 0.04 -1.26 -5.02 135.00 138.78 2di7 s PRO 113 Ca 0.46 1.35 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 2di7 s PRO 113 Cb -0.10 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.58 2di7 s PRO 113 CO 0.41 -1.34 0.40 0.71 0.04 0.00 0.00 177.00 177.22 2di7 s TYR 114 N -2.45 3.25 -0.33 0.56 2.02 -0.77 -4.94 117.35 114.68 2di7 s TYR 114 Ca 0.66 -0.97 -0.23 0.00 -0.37 0.00 0.00 57.07 56.16 2di7 s TYR 114 Cb -0.20 -3.21 0.00 0.00 -0.40 0.00 0.00 41.96 38.16 2di7 s TYR 114 CO 0.45 -0.81 0.77 0.42 -1.57 0.00 0.00 175.55 174.80 2di7 s ILE 115 N 1.63 4.78 -0.02 2.71 -1.09 -1.26 -3.54 121.20 124.41 2di7 s ILE 115 Ca 0.04 1.00 0.06 0.00 -2.23 0.00 0.00 60.65 59.51 2di7 s ILE 115 Cb -0.25 -4.16 -0.01 0.00 -1.58 0.00 0.00 42.46 36.46 2di7 s ILE 115 CO 0.06 -0.32 -0.19 -0.76 -1.23 0.00 0.00 174.94 172.50 2di7 s LEU 116 N 2.98 2.02 0.02 2.97 1.02 -1.26 -5.13 118.68 121.31 2di7 s LEU 116 Ca 0.31 -0.34 -0.27 0.00 0.02 0.00 0.00 54.13 53.84 2di7 s LEU 116 Cb -0.14 -0.97 0.09 0.00 0.02 0.00 0.00 46.19 45.19 2di7 s LEU 116 CO 0.14 0.22 0.79 -1.59 0.02 0.00 0.00 176.35 175.94 2di7 s LYS 117 N -0.37 0.96 0.38 1.70 -2.85 -1.26 -4.39 119.74 113.90 2di7 s LYS 117 Ca 0.06 -0.26 -0.12 0.00 -1.00 0.00 0.00 55.97 54.65 2di7 s LYS 117 Cb -0.08 0.44 0.04 0.00 -2.06 0.00 0.00 37.83 36.18 2di7 s LYS 117 CO -0.00 -0.40 0.71 0.20 0.10 0.00 0.00 175.35 175.96 2di7 s GLY 118 N -2.31 0.66 -0.07 0.59 0.00 -1.26 -5.11 107.32 99.82 2di7 s GLY 118 Ca 0.02 -0.95 -0.31 0.00 0.00 0.00 0.00 44.72 43.47 2di7 s GLY 118 CO -0.07 -0.48 1.12 -0.45 0.00 0.00 0.00 173.10 173.21 2di7 s SER 119 N -3.11 -0.18 0.00 1.64 0.15 -1.26 -5.12 113.70 105.82 2di7 s SER 119 Ca 0.19 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2di7 s SER 119 Cb -0.04 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2di7 s SER 119 CO 0.14 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2di7 n GLY 120 N -0.26 -2.09 3.55 9.45 0.00 -1.26 -4.79 105.19 109.79 2di7 n GLY 120 Ca -0.04 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.80 2.61 0.04 1.61 0.04 -1.26 -4.92 135.00 129.31 2di7 s PRO 121 Ca 0.00 0.51 -0.38 0.00 0.04 0.00 0.00 61.00 61.17 2di7 s PRO 121 Cb 0.00 -4.47 -0.19 0.00 0.04 0.00 0.00 34.50 29.88 2di7 s PRO 121 CO 0.00 -2.81 1.04 0.45 0.04 0.00 0.00 177.00 175.72 2di7 n SER 122 N 12.91 0.07 -4.63 6.66 2.88 -1.26 -4.74 113.62 125.52 2di7 n SER 122 Ca 0.23 1.15 -0.43 0.00 -1.33 0.00 0.00 58.87 58.49 2di7 n SER 122 Cb 0.51 -0.96 -0.03 0.00 -0.75 0.00 0.00 64.21 62.98 2di7 n SER 122 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2di7 n SER 123 N 1.67 3.65 0.00 -3.46 2.88 -1.26 -5.28 113.62 111.83 2di7 n SER 123 Ca 0.19 0.58 0.12 0.00 -1.33 0.00 0.00 58.87 58.43 2di7 n SER 123 Cb 0.11 -1.52 0.70 0.00 -0.75 0.00 0.00 64.21 62.75 2di7 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42