#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 -0.53 0.34 1.61 0.15 -1.26 -5.18 113.70 108.84 2di7 s SER 2 Ca 0.00 0.40 -0.08 0.00 0.70 0.00 0.00 55.95 56.98 2di7 s SER 2 Cb 0.00 0.50 0.02 0.00 -1.71 0.00 0.00 66.02 64.83 2di7 s SER 2 CO 0.00 -0.66 0.58 -0.94 1.20 0.00 0.00 173.24 173.41 2di7 s SER 3 N -1.61 0.51 0.23 5.45 1.04 -1.26 -5.19 113.70 112.88 2di7 s SER 3 Ca -0.08 -1.31 0.05 0.00 0.48 0.00 0.00 55.95 55.10 2di7 s SER 3 Cb -0.01 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.80 2di7 s SER 3 CO 0.03 -1.40 0.20 0.61 0.98 0.00 0.00 173.24 173.66 2di7 n GLY 4 N -0.53 3.25 3.38 7.32 0.00 -1.26 -5.18 105.19 112.16 2di7 n GLY 4 Ca -0.02 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.04 2di7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2di7 s SER 5 N -2.62 0.64 0.13 1.61 0.01 -1.26 -5.18 113.70 107.03 2di7 s SER 5 Ca 0.28 -1.41 -0.23 0.00 1.31 0.00 0.00 55.95 55.90 2di7 s SER 5 Cb 0.01 0.54 0.07 0.00 0.21 0.00 0.00 66.02 66.85 2di7 s SER 5 CO 0.20 -1.08 0.60 -0.94 0.41 0.00 0.00 173.24 172.42 2di7 s SER 6 N -3.20 -0.56 0.00 2.44 1.04 -1.26 -5.17 113.70 107.00 2di7 s SER 6 Ca 0.34 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2di7 s SER 6 Cb 0.02 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2di7 s SER 6 CO 0.17 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2di7 n GLY 7 N -0.23 0.84 3.73 7.32 0.00 -1.26 -5.17 105.19 110.43 2di7 n GLY 7 Ca -0.17 0.59 -0.26 0.00 0.00 0.00 0.00 46.02 46.18 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 2.65 0.00 1.61 0.41 -1.26 -5.13 118.70 116.99 2di7 s GLU 8 Ca 0.00 -1.02 -0.29 0.00 -0.41 0.00 0.00 54.97 53.25 2di7 s GLU 8 Cb 0.00 -2.49 0.10 0.00 -1.78 0.00 0.00 34.13 29.97 2di7 s GLU 8 CO 0.00 0.46 1.01 -0.08 -0.49 0.00 0.00 175.26 176.16 2di7 s THR 9 N -1.81 0.00 0.00 3.63 -1.32 -1.26 -5.19 115.64 109.69 2di7 s THR 9 Ca 0.30 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 2di7 s THR 9 Cb -0.09 -1.38 0.00 0.00 -1.51 0.00 0.00 72.50 69.52 2di7 s THR 9 CO 0.21 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.23 2di7 n GLY 10 N -0.30 1.88 0.84 6.08 0.00 -1.26 -5.04 105.19 107.39 2di7 n GLY 10 Ca -0.06 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.61 2.64 3.18 -0.02 0.00 -1.26 -5.03 105.19 104.09 2di7 n GLY 11 Ca 0.00 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.46 -0.39 1.61 0.28 -1.26 -4.92 120.64 115.50 2di7 n GLU 12 Ca 0.00 -0.12 -0.29 0.00 -0.16 0.00 0.00 57.16 56.59 2di7 n GLU 12 Cb 0.00 -1.40 0.28 0.00 1.43 0.00 0.00 31.44 31.74 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 0.25 -3.33 -3.28 3.44 5.12 -1.26 -4.94 116.66 112.67 2di7 n ARG 13 Ca 0.01 -0.96 -0.46 0.00 -1.93 0.00 0.00 57.85 54.51 2di7 n ARG 13 Cb 0.61 -2.08 -0.03 0.00 -1.16 0.00 0.00 32.46 29.81 2di7 n ARG 13 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2di7 s GLN 14 N -4.56 3.45 -0.19 5.56 -0.21 -1.26 -5.02 119.66 117.43 2di7 s GLN 14 Ca 0.68 -2.20 -0.37 0.00 0.02 0.00 0.00 55.36 53.49 2di7 s GLN 14 Cb -0.22 -4.43 -0.14 0.00 1.00 0.00 0.00 33.01 29.22 2di7 s GLN 14 CO 0.63 -1.35 1.83 -0.11 -2.12 0.00 0.00 175.29 174.17 2di7 n LEU 15 N 4.55 2.92 -4.19 2.90 7.94 -1.26 -1.75 117.00 128.11 2di7 n LEU 15 Ca 0.08 1.00 -0.33 0.00 -1.11 0.00 0.00 56.01 55.65 2di7 n LEU 15 Cb 0.45 -1.26 -0.16 0.00 0.53 0.00 0.00 43.42 42.99 2di7 n LEU 15 CO 0.40 -0.25 -0.51 -0.55 -1.11 0.00 0.00 177.39 175.37 2di7 s SER 16 N 3.97 3.33 -0.02 1.96 0.15 0.16 -4.84 113.70 118.40 2di7 s SER 16 Ca 0.96 -0.57 -0.25 0.00 0.70 0.00 0.00 55.95 56.79 2di7 s SER 16 Cb -0.88 -1.50 -0.20 0.00 -1.71 0.00 0.00 66.02 61.73 2di7 s SER 16 CO 0.58 0.05 1.23 1.55 1.20 0.00 0.00 173.24 177.85 2di7 h PRO 17 N 7.54 -0.06 -0.79 5.44 0.13 -1.85 -2.84 132.00 139.57 2di7 h PRO 17 Ca -0.37 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.95 2di7 h PRO 17 Cb 1.17 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 2di7 h PRO 17 CO 0.58 0.41 0.11 0.93 -0.23 0.00 0.00 178.00 179.81 2di7 h GLU 18 N -0.55 0.16 0.26 0.86 4.39 -1.62 -1.08 114.58 117.01 2di7 h GLU 18 Ca -0.01 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2di7 h GLU 18 Cb 0.49 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2di7 h GLU 18 CO 0.01 0.11 -0.13 0.87 -1.16 0.00 0.00 179.01 178.71 2di7 h LYS 19 N 0.17 -0.34 -4.55 2.33 1.79 -1.77 -3.44 116.57 110.75 2di7 h LYS 19 Ca 0.46 0.02 -0.60 0.00 -2.18 0.00 0.00 60.65 58.35 2di7 h LYS 19 Cb 0.84 0.08 0.04 0.00 -1.58 0.00 0.00 32.23 31.61 2di7 h LYS 19 CO -0.63 -0.12 0.04 0.43 -1.08 0.00 0.00 179.45 178.08 2di7 n SER 20 N -5.18 -0.03 -4.73 0.86 7.64 -0.41 -4.87 113.62 106.90 2di7 n SER 20 Ca -0.10 0.88 -0.35 0.00 1.01 0.00 0.00 58.87 60.31 2di7 n SER 20 Cb 0.21 -0.70 -0.08 0.00 -1.01 0.00 0.00 64.21 62.62 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 -0.02 3.64 -0.37 1.43 -1.05 -1.24 -4.58 118.70 116.52 2di7 s GLU 21 Ca 0.69 -0.28 -0.04 0.00 -0.15 0.00 0.00 54.97 55.19 2di7 s GLU 21 Cb -0.96 -3.15 0.08 0.00 -0.44 0.00 0.00 34.13 29.66 2di7 s GLU 21 CO 0.43 0.52 0.13 0.42 0.95 0.00 0.00 175.26 177.71 2di7 s ILE 22 N -0.31 3.40 0.25 1.83 1.01 -1.26 -3.39 121.20 122.73 2di7 s ILE 22 Ca 0.09 -1.62 0.12 0.00 0.00 0.00 0.00 60.65 59.24 2di7 s ILE 22 Cb -0.12 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.19 2di7 s ILE 22 CO 0.01 -0.41 -0.19 -1.66 0.00 0.00 0.00 174.94 172.69 2di7 s TRP 23 N 1.25 2.33 0.00 3.97 -2.14 -1.24 -5.01 118.94 118.10 2di7 s TRP 23 Ca 0.02 -0.33 0.00 0.00 2.66 0.00 0.00 56.10 58.45 2di7 s TRP 23 Cb -0.21 -1.05 0.00 0.00 -3.10 0.00 0.00 33.47 29.10 2di7 s TRP 23 CO -0.01 0.65 0.00 0.41 -2.66 0.00 0.00 176.95 175.33 2di7 n GLY 24 N -0.37 2.27 0.00 3.67 0.00 -1.26 -2.09 105.19 107.41 2di7 n GLY 24 Ca -0.07 -1.00 0.06 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.91 0.49 -0.04 1.61 -0.04 -1.26 -3.19 135.00 131.65 2di7 n PRO 25 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2di7 n PRO 25 Cb 0.00 -1.40 -0.13 0.00 -0.04 0.00 0.00 33.50 31.93 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 2.53 0.08 -3.32 0.55 0.00 -1.92 -3.33 103.07 97.67 2di7 h GLY 26 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 2di7 h GLY 26 CO 0.00 0.18 -0.11 1.04 0.00 0.00 0.00 176.54 177.65 2di7 n LEU 27 N -4.52 5.34 -4.72 3.11 4.77 -1.19 -4.83 117.00 114.96 2di7 n LEU 27 Ca -0.11 -2.67 -0.30 0.00 -0.03 0.00 0.00 56.01 52.91 2di7 n LEU 27 Cb 0.54 -1.22 -0.08 0.00 -2.33 0.00 0.00 43.42 40.33 2di7 n LEU 27 CO 0.37 1.23 -0.23 -0.54 -1.33 0.00 0.00 177.39 176.89 2di7 s LYS 28 N 0.26 2.12 -0.04 3.23 1.02 -1.25 -5.02 119.74 120.07 2di7 s LYS 28 Ca 0.21 -2.19 -0.11 0.00 0.02 0.00 0.00 55.97 53.90 2di7 s LYS 28 Cb 0.10 -1.68 -0.06 0.00 -0.52 0.00 0.00 37.83 35.67 2di7 s LYS 28 CO -0.00 -0.24 0.53 0.00 -0.92 0.00 0.00 175.35 174.72 2di7 h ALA 29 N 1.46 -0.47 -2.29 5.17 0.00 -1.90 -3.39 119.26 117.85 2di7 h ALA 29 Ca -0.43 -0.09 -0.76 0.00 0.00 0.00 0.00 54.91 53.63 2di7 h ALA 29 Cb 1.28 0.16 -0.23 0.00 0.00 0.00 0.00 17.79 19.00 2di7 h ALA 29 CO 0.75 -0.44 0.67 0.34 0.00 0.00 0.00 179.25 180.57 2di7 s ASP 30 N -4.61 7.00 1.08 0.00 -1.08 -1.26 -4.99 116.67 112.82 2di7 s ASP 30 Ca -0.06 -2.94 -0.18 0.00 -0.52 0.00 0.00 52.55 48.85 2di7 s ASP 30 Cb 0.01 -2.29 0.25 0.00 -1.46 0.00 0.00 42.92 39.42 2di7 s ASP 30 CO 0.18 -0.62 1.24 0.68 0.52 0.00 0.00 175.17 177.17 2di7 s VAL 31 N 0.54 1.81 0.88 1.11 -7.23 -1.26 -5.03 120.40 111.22 2di7 s VAL 31 Ca 0.31 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.37 2di7 s VAL 31 Cb -0.07 -2.78 0.12 0.00 0.56 0.00 0.00 36.38 34.21 2di7 s VAL 31 CO -0.06 0.00 1.10 0.68 -0.31 0.00 0.00 175.10 176.51 2di7 s VAL 32 N -3.52 2.67 -0.04 1.32 -7.23 -1.26 -5.00 120.40 107.35 2di7 s VAL 32 Ca 0.74 0.22 -0.14 0.00 -1.81 0.00 0.00 61.98 60.98 2di7 s VAL 32 Cb -0.06 -2.53 -0.08 0.00 0.56 0.00 0.00 36.38 34.27 2di7 s VAL 32 CO 0.54 -0.29 0.61 -0.07 -0.31 0.00 0.00 175.10 175.58 2di7 h LEU 33 N -1.59 -0.44 0.00 1.32 3.38 -2.03 -3.43 115.31 112.52 2di7 h LEU 33 Ca -0.46 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2di7 h LEU 33 Cb 1.26 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2di7 h LEU 33 CO 0.49 -0.02 0.00 -0.81 0.09 0.00 0.00 178.44 178.19 2di7 n PRO 34 N -5.05 0.00 -4.13 1.13 -0.04 -1.26 -5.01 135.00 120.65 2di7 n PRO 34 Ca -0.06 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.26 2di7 n PRO 34 Cb 0.20 -0.23 -0.11 0.00 -0.04 0.00 0.00 33.50 33.32 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 0.87 0.32 0.55 0.00 -1.26 -5.01 121.76 114.26 2di7 s ALA 35 Ca 0.00 -1.00 0.09 0.00 0.00 0.00 0.00 51.96 51.05 2di7 s ALA 35 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 2di7 s ALA 35 CO 0.00 -0.03 0.03 -0.98 0.00 0.00 0.00 175.76 174.78 2di7 s ARG 36 N -2.26 2.16 -0.09 0.00 3.03 -1.26 -4.82 118.95 115.70 2di7 s ARG 36 Ca -0.01 -1.65 -0.04 0.00 2.03 0.00 0.00 55.73 56.05 2di7 s ARG 36 Cb -0.06 -2.01 0.05 0.00 -1.03 0.00 0.00 34.95 31.89 2di7 s ARG 36 CO -0.00 0.18 0.21 1.52 -1.13 0.00 0.00 175.30 176.07 2di7 s TYR 37 N -2.47 -0.27 0.36 5.89 -0.85 -1.26 -4.63 117.35 114.13 2di7 s TYR 37 Ca 0.35 0.69 0.08 0.00 -0.52 0.00 0.00 57.07 57.66 2di7 s TYR 37 Cb -0.02 -0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.26 2di7 s TYR 37 CO 0.20 -0.23 0.26 -0.59 -1.52 0.00 0.00 175.55 173.67 2di7 s PHE 38 N 1.43 2.78 0.17 -3.49 -0.12 -1.26 -4.50 117.98 112.99 2di7 s PHE 38 Ca -0.07 -0.39 0.04 0.00 -0.05 0.00 0.00 56.93 56.46 2di7 s PHE 38 Cb -0.11 -1.86 -0.04 0.00 -0.63 0.00 0.00 43.02 40.39 2di7 s PHE 38 CO -0.07 0.15 0.20 0.71 -0.05 0.00 0.00 175.22 176.16 2di7 s TYR 39 N -2.40 3.26 -0.24 3.49 2.02 -0.89 -2.88 117.35 119.71 2di7 s TYR 39 Ca 0.42 0.01 -0.00 0.00 -0.37 0.00 0.00 57.07 57.13 2di7 s TYR 39 Cb -0.03 -1.55 0.07 0.00 -0.40 0.00 0.00 41.96 40.04 2di7 s TYR 39 CO 0.25 0.51 -0.00 0.42 -1.57 0.00 0.00 175.55 175.17 2di7 s ILE 40 N -1.80 1.21 -0.17 2.71 1.01 -1.22 -3.71 121.20 119.24 2di7 s ILE 40 Ca 0.32 -1.14 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 2di7 s ILE 40 Cb -0.10 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 2di7 s ILE 40 CO 0.25 -0.24 0.29 -1.58 0.00 0.00 0.00 174.94 173.66 2di7 s GLN 41 N 1.52 4.24 -0.22 2.79 2.00 -1.22 -3.87 119.66 124.90 2di7 s GLN 41 Ca -0.01 0.08 -0.26 0.00 -2.00 0.00 0.00 55.36 53.17 2di7 s GLN 41 Cb -0.18 -3.44 -0.01 0.00 0.80 0.00 0.00 33.01 30.18 2di7 s GLN 41 CO -0.09 0.21 0.87 0.00 -0.50 0.00 0.00 175.29 175.77 2di7 s ALA 42 N 0.57 3.62 0.07 1.58 0.00 -1.26 -3.64 121.76 122.70 2di7 s ALA 42 Ca 0.16 -0.03 0.09 0.00 0.00 0.00 0.00 51.96 52.18 2di7 s ALA 42 Cb -0.13 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2di7 s ALA 42 CO 0.04 -0.87 -0.23 0.08 0.00 0.00 0.00 175.76 174.79 2di7 s VAL 43 N 2.70 2.49 0.45 0.00 1.01 -1.26 -1.14 120.40 124.65 2di7 s VAL 43 Ca 0.37 -1.41 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 2di7 s VAL 43 Cb -0.16 -2.05 0.09 0.00 0.00 0.00 0.00 36.38 34.27 2di7 s VAL 43 CO 0.09 0.26 0.62 -0.90 0.00 0.00 0.00 175.10 175.17 2di7 n ASP 44 N 1.38 0.68 0.08 3.32 5.68 -0.84 0.37 116.55 127.22 2di7 n ASP 44 Ca -0.17 -1.61 0.10 0.00 -0.50 0.00 0.00 54.79 52.61 2di7 n ASP 44 Cb 0.52 -0.42 0.42 0.00 -1.14 0.00 0.00 41.12 40.50 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 -2.39 0.94 -0.62 2.12 -2.24 -0.71 -1.81 114.28 109.56 2di7 n THR 45 Ca 0.10 0.27 0.10 0.00 -2.27 0.00 0.00 64.05 62.24 2di7 n THR 45 Cb 0.35 -1.14 0.36 0.00 -2.10 0.00 0.00 70.33 67.79 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 -1.96 4.74 -2.75 3.42 7.64 -1.26 -4.93 113.62 118.52 2di7 n SER 46 Ca 0.02 -2.43 -0.22 0.00 1.01 0.00 0.00 58.87 57.25 2di7 n SER 46 Cb 0.19 -0.58 0.02 0.00 -1.01 0.00 0.00 64.21 62.83 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 1.14 -0.51 3.73 0.23 0.00 -0.75 -4.98 105.19 104.04 2di7 n GLY 47 Ca 0.26 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.43 5.48 0.11 1.61 0.01 -1.26 -4.87 114.94 113.58 2di7 s ASN 48 Ca 0.17 0.17 -0.30 0.00 -0.71 0.00 0.00 52.86 52.19 2di7 s ASN 48 Cb -0.08 -1.57 -0.07 0.00 0.41 0.00 0.00 41.25 39.95 2di7 s ASN 48 CO 0.22 0.35 1.20 -0.54 -1.51 0.00 0.00 177.10 176.81 2di7 s LYS 49 N -1.18 4.46 0.16 -0.60 1.02 -1.26 -1.98 119.74 120.36 2di7 s LYS 49 Ca 0.16 1.81 -0.06 0.00 0.02 0.00 0.00 55.97 57.90 2di7 s LYS 49 Cb -0.12 -3.31 0.02 0.00 -0.52 0.00 0.00 37.83 33.91 2di7 s LYS 49 CO 0.06 -0.19 1.44 0.74 -0.92 0.00 0.00 175.35 176.48 2di7 h PHE 50 N 6.23 0.81 -4.01 3.18 -1.00 -1.51 -3.46 116.94 117.18 2di7 h PHE 50 Ca -0.43 -0.31 0.00 0.00 2.81 0.00 0.00 57.97 60.04 2di7 h PHE 50 Cb 1.21 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.63 2di7 h PHE 50 CO 0.65 1.08 0.00 0.25 -1.61 0.00 0.00 178.31 178.69 2di7 n THR 51 N -3.94 0.00 -4.64 -1.55 -2.24 -1.26 -4.83 114.28 95.82 2di7 n THR 51 Ca -0.04 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.45 2di7 n THR 51 Cb 0.65 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.80 2di7 n THR 51 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2di7 s SER 52 N -1.64 3.48 -0.53 3.42 0.15 -1.23 -4.45 113.70 112.90 2di7 s SER 52 Ca 0.00 -1.63 -0.15 0.00 0.70 0.00 0.00 55.95 54.87 2di7 s SER 52 Cb 0.00 0.43 0.13 0.00 -1.71 0.00 0.00 66.02 64.87 2di7 s SER 52 CO 0.00 -0.85 0.48 -0.55 1.20 0.00 0.00 173.24 173.52 2di7 s SER 53 N -3.74 6.11 -0.02 5.45 0.15 -1.26 -4.21 113.70 116.18 2di7 s SER 53 Ca 0.16 -1.81 -0.26 0.00 0.70 0.00 0.00 55.95 54.74 2di7 s SER 53 Cb 0.03 -2.18 -0.20 0.00 -1.71 0.00 0.00 66.02 61.96 2di7 s SER 53 CO 0.09 -0.83 1.27 1.55 1.20 0.00 0.00 173.24 176.52 2di7 h PRO 54 N 8.82 0.01 0.00 5.44 0.13 -1.97 -3.50 132.00 140.93 2di7 h PRO 54 Ca -0.28 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2di7 h PRO 54 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2di7 h PRO 54 CO 1.01 0.49 0.00 0.41 -0.23 0.00 0.00 178.00 179.68 2di7 n GLY 55 N 0.22 -1.50 0.13 1.56 0.00 -1.26 -5.06 105.19 99.29 2di7 n GLY 55 Ca -0.08 -1.03 -0.04 0.00 0.00 0.00 0.00 46.02 44.86 2di7 n GLY 55 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2di7 h GLU 56 N 0.00 -0.25 -3.87 1.61 4.57 -1.99 -3.42 114.58 111.22 2di7 h GLU 56 Ca 0.00 0.02 -0.70 0.00 -1.18 0.00 0.00 59.36 57.49 2di7 h GLU 56 Cb 0.00 0.06 -0.34 0.00 -0.16 0.00 0.00 28.75 28.30 2di7 h GLU 56 CO 0.00 -0.17 -0.39 0.15 -1.18 0.00 0.00 179.01 177.42 2di7 s LYS 57 N -2.39 2.47 0.00 1.92 -0.14 -1.26 -4.81 119.74 115.52 2di7 s LYS 57 Ca -0.04 -2.30 0.00 0.00 -1.36 0.00 0.00 55.97 52.27 2di7 s LYS 57 Cb 0.00 -3.74 0.00 0.00 -1.68 0.00 0.00 37.83 32.41 2di7 s LYS 57 CO 0.11 -1.16 0.00 1.33 -0.76 0.00 0.00 175.35 174.88 2di7 n VAL 58 N 3.88 0.00 -4.58 3.17 0.24 -1.26 -5.05 118.33 114.74 2di7 n VAL 58 Ca 0.04 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.02 2di7 n VAL 58 Cb 0.39 -0.54 -0.11 0.00 -1.47 0.00 0.00 33.84 32.11 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 -1.95 2.89 0.20 6.34 0.08 -1.26 -4.74 117.98 119.54 2di7 s PHE 59 Ca 0.00 -0.03 0.07 0.00 0.12 0.00 0.00 56.93 57.09 2di7 s PHE 59 Cb 0.00 -1.65 -0.05 0.00 -0.57 0.00 0.00 43.02 40.75 2di7 s PHE 59 CO 0.00 0.34 -0.13 -1.14 -0.10 0.00 0.00 175.22 174.18 2di7 s GLN 60 N -1.09 1.31 -0.01 0.44 0.74 -1.25 -4.90 119.66 114.89 2di7 s GLN 60 Ca 0.14 -1.58 0.01 0.00 0.05 0.00 0.00 55.36 53.98 2di7 s GLN 60 Cb -0.11 -1.05 0.01 0.00 1.10 0.00 0.00 33.01 32.96 2di7 s GLN 60 CO 0.04 0.16 -0.03 0.08 -0.55 0.00 0.00 175.29 174.99 2di7 s VAL 61 N -3.03 0.29 -0.08 1.34 1.01 -1.26 -3.82 120.40 114.85 2di7 s VAL 61 Ca 0.22 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2di7 s VAL 61 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 2di7 s VAL 61 CO 0.06 0.11 -0.13 -0.75 0.00 0.00 0.00 175.10 174.40 2di7 s LYS 62 N 0.24 2.82 -0.13 2.72 2.20 0.29 -4.85 119.74 123.04 2di7 s LYS 62 Ca -0.02 -0.67 -0.00 0.00 -0.36 0.00 0.00 55.97 54.91 2di7 s LYS 62 Cb -0.05 -2.49 0.02 0.00 -1.51 0.00 0.00 37.83 33.80 2di7 s LYS 62 CO -0.00 0.50 -0.10 0.08 -0.36 0.00 0.00 175.35 175.46 2di7 s VAL 63 N -0.39 1.24 -0.27 4.02 1.01 -1.26 -1.81 120.40 122.94 2di7 s VAL 63 Ca 0.05 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 2di7 s VAL 63 Cb -0.12 -1.21 0.07 0.00 0.00 0.00 0.00 36.38 35.11 2di7 s VAL 63 CO 0.02 0.40 0.70 -0.55 0.00 0.00 0.00 175.10 175.68 2di7 s SER 64 N 1.59 -0.78 0.09 3.32 0.15 -1.16 -4.72 113.70 112.19 2di7 s SER 64 Ca 0.04 1.44 -0.16 0.00 0.70 0.00 0.00 55.95 57.97 2di7 s SER 64 Cb -0.13 1.43 -0.07 0.00 -1.71 0.00 0.00 66.02 65.55 2di7 s SER 64 CO -0.09 -0.24 0.54 0.00 1.20 0.00 0.00 173.24 174.64 2di7 s ALA 65 N 0.64 3.60 0.32 5.45 0.00 -1.24 0.01 121.76 130.54 2di7 s ALA 65 Ca -0.02 -0.07 0.11 0.00 0.00 0.00 0.00 51.96 51.98 2di7 s ALA 65 Cb -0.05 -2.55 0.53 0.00 0.00 0.00 0.00 23.12 21.05 2di7 s ALA 65 CO -0.03 0.44 1.72 -1.00 0.00 0.00 0.00 175.76 176.88 2di7 h PRO 66 N 4.15 0.02 0.02 0.00 0.13 -1.91 -3.30 132.00 131.10 2di7 h PRO 66 Ca -0.49 -0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.37 2di7 h PRO 66 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2di7 h PRO 66 CO 0.64 0.50 -1.39 -1.91 -0.23 0.00 0.00 178.00 175.61 2di7 n GLU 67 N -3.96 0.60 -3.53 0.86 4.07 -1.26 -4.91 120.64 112.51 2di7 n GLU 67 Ca -0.02 0.53 -0.38 0.00 -0.06 0.00 0.00 57.16 57.23 2di7 n GLU 67 Cb 0.51 -1.74 -0.06 0.00 -0.06 0.00 0.00 31.44 30.09 2di7 n GLU 67 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2di7 s GLU 68 N -2.40 3.91 0.53 5.31 2.56 -1.24 -5.09 118.70 122.27 2di7 s GLU 68 Ca -0.28 0.34 0.00 0.00 0.00 0.00 0.00 54.97 55.03 2di7 s GLU 68 Cb 0.06 -3.24 -0.00 0.00 2.00 0.00 0.00 34.13 32.95 2di7 s GLU 68 CO 0.62 0.65 0.00 -1.14 -0.56 0.00 0.00 175.26 174.83 2di7 s GLN 69 N -0.90 2.23 -1.18 4.30 0.74 -1.26 -3.71 119.66 119.89 2di7 s GLN 69 Ca 0.23 -2.45 -0.04 0.00 0.05 0.00 0.00 55.36 53.14 2di7 s GLN 69 Cb -0.16 -1.48 -0.02 0.00 1.10 0.00 0.00 33.01 32.45 2di7 s GLN 69 CO 0.12 -0.42 0.87 0.34 -0.55 0.00 0.00 175.29 175.64 2di7 n PHE 70 N -1.31 -2.16 -3.66 1.67 7.35 -1.26 -4.97 117.46 113.12 2di7 n PHE 70 Ca -0.21 0.83 -0.39 0.00 -0.76 0.00 0.00 57.45 56.92 2di7 n PHE 70 Cb 0.67 -4.43 -0.10 0.00 0.35 0.00 0.00 39.48 35.97 2di7 n PHE 70 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 2di7 s THR 71 N -3.47 3.75 -1.13 -2.13 -1.32 -1.26 -5.02 115.64 105.06 2di7 s THR 71 Ca 0.19 -1.92 -0.22 0.00 -1.21 0.00 0.00 61.69 58.52 2di7 s THR 71 Cb -0.04 -3.52 -0.01 0.00 -1.51 0.00 0.00 72.50 67.43 2di7 s THR 71 CO 0.77 -0.74 1.79 -0.60 -2.21 0.00 0.00 174.62 173.64 2di7 s ARG 72 N 1.25 3.13 -0.32 7.08 3.52 -1.26 -4.93 118.95 127.41 2di7 s ARG 72 Ca 0.07 -1.22 -0.19 0.00 -0.13 0.00 0.00 55.73 54.26 2di7 s ARG 72 Cb -0.25 -5.31 -0.01 0.00 -1.56 0.00 0.00 34.95 27.82 2di7 s ARG 72 CO -0.02 -3.05 0.58 0.08 -0.81 0.00 0.00 175.30 172.07 2di7 s VAL 73 N 7.82 4.97 -1.10 7.11 1.01 -1.26 -4.99 120.40 133.96 2di7 s VAL 73 Ca 0.61 0.64 -0.10 0.00 0.00 0.00 0.00 61.98 63.13 2di7 s VAL 73 Cb -0.00 -3.98 0.26 0.00 0.00 0.00 0.00 36.38 32.66 2di7 s VAL 73 CO 0.05 -0.16 1.12 -0.83 0.00 0.00 0.00 175.10 175.28 2di7 s GLY 74 N 1.70 3.09 0.21 4.51 0.00 -1.26 -4.92 107.32 110.64 2di7 s GLY 74 Ca 0.22 -3.74 -0.30 0.00 0.00 0.00 0.00 44.72 40.90 2di7 s GLY 74 CO 0.12 1.41 0.94 0.14 0.00 0.00 0.00 173.10 175.72 2di7 s VAL 75 N -0.80 4.18 -0.07 1.40 1.01 -1.26 -4.43 120.40 120.43 2di7 s VAL 75 Ca 0.31 2.08 0.02 0.00 0.00 0.00 0.00 61.98 64.38 2di7 s VAL 75 Cb -0.09 -4.32 0.02 0.00 0.00 0.00 0.00 36.38 31.98 2di7 s VAL 75 CO -0.07 0.46 -0.11 -1.58 0.00 0.00 0.00 175.10 173.80 2di7 s GLN 76 N -0.90 1.59 -0.26 2.72 2.00 -0.83 -5.00 119.66 118.97 2di7 s GLN 76 Ca 0.42 -0.36 -0.10 0.00 -2.00 0.00 0.00 55.36 53.32 2di7 s GLN 76 Cb -0.25 -1.36 -0.05 0.00 0.80 0.00 0.00 33.01 32.15 2di7 s GLN 76 CO 0.31 -0.02 0.16 0.14 -0.50 0.00 0.00 175.29 175.39 2di7 s VAL 77 N 0.80 5.14 -0.05 1.34 -7.23 -1.26 -2.99 120.40 116.14 2di7 s VAL 77 Ca -0.12 0.11 0.05 0.00 -1.81 0.00 0.00 61.98 60.20 2di7 s VAL 77 Cb -0.15 -3.43 -0.00 0.00 0.56 0.00 0.00 36.38 33.36 2di7 s VAL 77 CO 0.02 0.29 -0.19 -0.22 -0.31 0.00 0.00 175.10 174.70 2di7 s LEU 78 N 1.54 1.95 -0.55 1.32 0.20 -1.11 -4.97 118.68 117.05 2di7 s LEU 78 Ca 0.07 -0.39 -0.28 0.00 0.69 0.00 0.00 54.13 54.22 2di7 s LEU 78 Cb -0.15 -1.06 0.02 0.00 -0.43 0.00 0.00 46.19 44.57 2di7 s LEU 78 CO 0.08 0.17 1.30 1.51 -0.29 0.00 0.00 176.35 179.12 2di7 s ASP 79 N 0.01 6.32 -0.17 3.68 1.47 -1.26 -2.26 116.67 124.46 2di7 s ASP 79 Ca -0.04 0.26 -0.16 0.00 1.18 0.00 0.00 52.55 53.79 2di7 s ASP 79 Cb -0.12 -2.55 -0.12 0.00 -0.34 0.00 0.00 42.92 39.79 2di7 s ASP 79 CO 0.03 -1.56 0.12 0.03 0.68 0.00 0.00 175.17 174.46 2di7 h ARG 80 N 10.26 0.00 -6.49 2.11 3.08 -1.92 -3.49 114.38 117.93 2di7 h ARG 80 Ca -0.26 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.34 2di7 h ARG 80 Cb 1.08 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.14 2di7 h ARG 80 CO 1.17 0.54 -0.20 0.15 -1.07 0.00 0.00 179.97 180.56 2di7 s LYS 81 N -2.22 2.59 -0.17 0.04 3.01 -1.21 -4.99 119.74 116.78 2di7 s LYS 81 Ca -0.20 -1.44 -0.00 0.00 -1.01 0.00 0.00 55.97 53.32 2di7 s LYS 81 Cb 0.03 -2.67 0.13 0.00 -1.01 0.00 0.00 37.83 34.31 2di7 s LYS 81 CO 0.41 -0.51 1.88 -0.40 0.51 0.00 0.00 175.35 177.25 2di7 n ASP 82 N -1.98 5.53 0.00 2.83 5.75 -1.26 -4.05 116.55 123.37 2di7 n ASP 82 Ca 0.10 -2.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.15 2di7 n ASP 82 Cb 0.60 -1.00 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 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 0.06 3.94 6.12 0.00 -1.26 -3.53 105.19 111.22 2di7 n GLY 83 Ca 0.17 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.91 5.54 0.13 1.61 0.15 -1.26 -4.56 113.70 114.40 2di7 s SER 84 Ca 0.00 -0.44 0.02 0.00 0.70 0.00 0.00 55.95 56.23 2di7 s SER 84 Cb 0.00 -0.88 -0.04 0.00 -1.71 0.00 0.00 66.02 63.39 2di7 s SER 84 CO 0.00 -0.55 -0.05 -0.36 1.20 0.00 0.00 173.24 173.48 2di7 s PHE 85 N -2.31 1.03 -0.05 3.44 0.40 -1.25 -3.36 117.98 115.88 2di7 s PHE 85 Ca 0.47 -0.94 0.06 0.00 -0.60 0.00 0.00 56.93 55.93 2di7 s PHE 85 Cb -0.08 -0.58 -0.02 0.00 0.51 0.00 0.00 43.02 42.85 2di7 s PHE 85 CO 0.30 -0.15 -0.22 -1.50 0.70 0.00 0.00 175.22 174.35 2di7 s ILE 86 N -3.61 2.35 -0.26 0.64 2.07 -0.96 -3.43 121.20 118.00 2di7 s ILE 86 Ca 0.16 -0.97 -0.03 0.00 -1.41 0.00 0.00 60.65 58.40 2di7 s ILE 86 Cb 0.05 -1.87 0.02 0.00 0.13 0.00 0.00 42.46 40.79 2di7 s ILE 86 CO -0.01 0.57 -0.02 -0.69 -1.91 0.00 0.00 174.94 172.88 2di7 s VAL 87 N -0.40 3.20 0.09 4.00 1.01 -1.14 -2.76 120.40 124.40 2di7 s VAL 87 Ca 0.04 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.20 2di7 s VAL 87 Cb -0.12 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2di7 s VAL 87 CO 0.02 0.18 -0.20 0.00 0.00 0.00 0.00 175.10 175.10 2di7 s ARG 88 N 1.38 1.83 0.03 2.72 1.70 -1.16 -4.04 118.95 121.41 2di7 s ARG 88 Ca 0.01 -1.13 -0.17 0.00 -0.47 0.00 0.00 55.73 53.97 2di7 s ARG 88 Cb -0.17 -2.10 0.03 0.00 -0.57 0.00 0.00 34.95 32.14 2di7 s ARG 88 CO -0.03 0.50 0.38 1.52 -1.08 0.00 0.00 175.30 176.59 2di7 s TYR 89 N -1.04 -0.23 0.03 5.89 1.13 -1.26 -1.97 117.35 119.90 2di7 s TYR 89 Ca 0.16 0.21 0.08 0.00 -1.41 0.00 0.00 57.07 56.12 2di7 s TYR 89 Cb -0.10 0.18 -0.03 0.00 -1.10 0.00 0.00 41.96 40.91 2di7 s TYR 89 CO 0.08 -0.52 -0.23 0.50 -2.51 0.00 0.00 175.55 172.86 2di7 s ARG 90 N -2.23 1.62 -0.14 -3.49 6.06 -1.26 -4.86 118.95 114.64 2di7 s ARG 90 Ca -0.07 -0.98 -0.07 0.00 -2.50 0.00 0.00 55.73 52.11 2di7 s ARG 90 Cb -0.02 -1.73 0.06 0.00 0.06 0.00 0.00 34.95 33.32 2di7 s ARG 90 CO -0.01 0.45 0.33 1.41 -2.50 0.00 0.00 175.30 174.98 2di7 s MET 91 N -1.10 0.29 -0.51 5.12 -2.45 -1.26 -4.47 119.30 114.92 2di7 s MET 91 Ca 0.09 0.70 0.03 0.00 -1.25 0.00 0.00 55.69 55.27 2di7 s MET 91 Cb -0.09 -0.04 0.42 0.00 1.25 0.00 0.00 34.83 36.37 2di7 s MET 91 CO 0.01 -0.18 1.43 0.66 1.05 0.00 0.00 175.02 177.99 2di7 n TYR 92 N 4.46 3.13 -3.83 4.11 4.02 -1.26 -5.00 117.16 122.79 2di7 n TYR 92 Ca -0.21 -2.71 -0.09 0.00 -0.01 0.00 0.00 57.90 54.87 2di7 n TYR 92 Cb 0.53 -0.55 -0.06 0.00 -0.02 0.00 0.00 39.34 39.24 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 -3.70 -0.37 0.14 -0.72 0.00 -1.26 -5.13 121.76 110.73 2di7 s ALA 93 Ca 0.52 -0.54 -0.34 0.00 0.00 0.00 0.00 51.96 51.60 2di7 s ALA 93 Cb 0.42 0.66 -0.15 0.00 0.00 0.00 0.00 23.12 24.06 2di7 s ALA 93 CO -0.15 -0.60 1.39 0.43 0.00 0.00 0.00 175.76 176.83 2di7 n SER 94 N -0.16 2.19 -3.98 0.00 7.64 -1.26 -4.96 113.62 113.09 2di7 n SER 94 Ca -0.13 1.12 -0.31 0.00 1.01 0.00 0.00 58.87 60.56 2di7 n SER 94 Cb 0.63 -1.30 -0.15 0.00 -1.01 0.00 0.00 64.21 62.38 2di7 n SER 94 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2di7 s TYR 95 N 0.42 3.41 -0.20 1.43 5.04 -1.26 -4.92 117.35 121.27 2di7 s TYR 95 Ca 0.79 -2.76 0.04 0.00 -2.44 0.00 0.00 57.07 52.69 2di7 s TYR 95 Cb -0.81 -2.68 -0.15 0.00 0.35 0.00 0.00 41.96 38.67 2di7 s TYR 95 CO 0.45 -0.93 -0.14 1.63 -1.34 0.00 0.00 175.55 175.22 2di7 n LYS 96 N 4.36 0.68 -3.64 4.97 4.01 -1.26 -5.01 118.16 122.26 2di7 n LYS 96 Ca 0.02 0.10 -0.05 0.00 -0.51 0.00 0.00 58.31 57.87 2di7 n LYS 96 Cb 0.42 -1.42 -0.06 0.00 -0.51 0.00 0.00 35.03 33.47 2di7 n LYS 96 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2di7 s ASN 97 N -5.82 -1.03 0.31 4.39 2.20 -1.26 -4.93 114.94 108.80 2di7 s ASN 97 Ca -0.24 1.54 0.10 0.00 -0.94 0.00 0.00 52.86 53.32 2di7 s ASN 97 Cb 0.07 1.76 -0.06 0.00 -2.00 0.00 0.00 41.25 41.02 2di7 s ASN 97 CO 0.52 -0.23 -0.12 -0.76 -2.94 0.00 0.00 177.10 173.57 2di7 s LEU 98 N 2.15 2.74 -0.26 3.54 1.43 -1.26 -4.26 118.68 122.76 2di7 s LEU 98 Ca -0.08 -1.06 0.03 0.00 -1.03 0.00 0.00 54.13 51.98 2di7 s LEU 98 Cb -0.08 -1.14 0.06 0.00 0.03 0.00 0.00 46.19 45.06 2di7 s LEU 98 CO -0.20 -0.10 -0.11 -0.75 0.23 0.00 0.00 176.35 175.43 2di7 s LYS 99 N -3.59 2.21 -0.07 1.70 2.20 0.10 -4.26 119.74 118.03 2di7 s LYS 99 Ca 0.32 -1.31 -0.26 0.00 -0.36 0.00 0.00 55.97 54.36 2di7 s LYS 99 Cb -0.02 -2.86 -0.03 0.00 -1.51 0.00 0.00 37.83 33.42 2di7 s LYS 99 CO 0.17 -0.56 0.83 0.08 -0.36 0.00 0.00 175.35 175.50 2di7 s VAL 100 N 1.13 4.95 -0.11 4.02 1.01 -1.23 -3.00 120.40 127.17 2di7 s VAL 100 Ca -0.08 1.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.58 2di7 s VAL 100 Cb -0.20 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.05 2di7 s VAL 100 CO -0.05 0.16 -0.04 -1.61 0.00 0.00 0.00 175.10 173.56 2di7 s GLU 101 N 1.21 1.12 -0.18 2.72 2.02 -0.75 -1.62 118.70 123.22 2di7 s GLU 101 Ca 0.43 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.27 2di7 s GLU 101 Cb -0.18 -1.42 0.01 0.00 0.10 0.00 0.00 34.13 32.64 2di7 s GLU 101 CO 0.20 -0.32 -0.17 0.42 0.02 0.00 0.00 175.26 175.41 2di7 s ILE 102 N 1.81 2.36 0.14 -1.63 1.09 -1.26 -0.55 121.20 123.16 2di7 s ILE 102 Ca 0.04 -0.85 0.04 0.00 -1.10 0.00 0.00 60.65 58.78 2di7 s ILE 102 Cb -0.13 -2.00 -0.04 0.00 -1.06 0.00 0.00 42.46 39.22 2di7 s ILE 102 CO -0.07 0.52 -0.09 -0.54 -0.10 0.00 0.00 174.94 174.65 2di7 s LYS 103 N 1.19 1.02 -0.23 2.79 1.02 -1.25 -2.40 119.74 121.88 2di7 s LYS 103 Ca 0.02 -1.43 -0.04 0.00 0.02 0.00 0.00 55.97 54.54 2di7 s LYS 103 Cb -0.14 -0.54 0.09 0.00 -0.52 0.00 0.00 37.83 36.72 2di7 s LYS 103 CO -0.08 0.06 0.14 0.12 -0.92 0.00 0.00 175.35 174.67 2di7 s PHE 104 N -3.39 0.10 -1.46 3.18 5.36 0.16 -3.81 117.98 118.13 2di7 s PHE 104 Ca 0.16 -0.43 -0.10 0.00 -0.96 0.00 0.00 56.93 55.60 2di7 s PHE 104 Cb 0.03 -0.70 0.05 0.00 -0.34 0.00 0.00 43.02 42.07 2di7 s PHE 104 CO -0.00 -0.68 0.77 1.04 -1.46 0.00 0.00 175.22 174.89 2di7 n GLN 105 N 5.28 -5.05 -1.96 10.12 6.02 -1.26 -1.63 117.38 128.89 2di7 n GLN 105 Ca -0.06 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.60 2di7 n GLN 105 Cb 0.46 -5.53 0.00 0.00 1.02 0.00 0.00 30.24 26.20 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 -1.54 0.68 2.93 1.08 0.00 -1.26 -5.06 105.19 102.02 2di7 n GLY 106 Ca -0.02 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.98 0.12 0.33 1.61 -0.21 -0.65 -5.14 119.66 111.73 2di7 s GLN 107 Ca 0.00 0.65 -0.29 0.00 0.02 0.00 0.00 55.36 55.74 2di7 s GLN 107 Cb 0.00 -0.21 -0.11 0.00 1.00 0.00 0.00 33.01 33.70 2di7 s GLN 107 CO 0.00 -0.32 1.48 -1.01 -2.12 0.00 0.00 175.29 173.31 2di7 s HIS 108 N 2.37 2.78 -0.21 0.91 3.76 -1.26 0.35 115.29 124.00 2di7 s HIS 108 Ca 0.02 1.08 -0.17 0.00 -0.15 0.00 0.00 55.06 55.84 2di7 s HIS 108 Cb -0.12 -3.94 -0.14 0.00 1.11 0.00 0.00 32.58 29.49 2di7 s HIS 108 CO -0.08 -2.91 -0.01 0.28 -0.85 0.00 0.00 174.74 171.17 2di7 n VAL 109 N 1.28 1.51 -3.74 -0.90 0.31 -1.01 -3.35 118.33 112.43 2di7 n VAL 109 Ca 0.04 -0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 2di7 n VAL 109 Cb 0.39 -2.10 -0.00 0.00 -0.91 0.00 0.00 33.84 31.23 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 -3.70 0.42 -0.81 3.52 0.00 -1.26 -3.66 120.51 115.02 2di7 n ALA 110 Ca -0.31 -1.13 -0.11 0.00 0.00 0.00 0.00 53.44 51.89 2di7 n ALA 110 Cb 0.64 0.48 -0.13 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 -1.13 1.68 -2.48 0.00 4.76 -1.26 -4.89 118.16 114.84 2di7 n LYS 111 Ca -0.02 -0.86 -0.28 0.00 -2.87 0.00 0.00 58.31 54.28 2di7 n LYS 111 Cb 0.32 -1.95 0.01 0.00 -1.84 0.00 0.00 35.03 31.57 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 2.24 6.14 1.15 4.39 0.01 -1.26 -4.50 113.70 121.87 2di7 s SER 112 Ca 0.53 0.97 -0.17 0.00 1.31 0.00 0.00 55.95 58.59 2di7 s SER 112 Cb 0.25 -2.19 0.26 0.00 0.21 0.00 0.00 66.02 64.55 2di7 s SER 112 CO -0.00 -0.71 1.11 -2.16 0.41 0.00 0.00 173.24 171.89 2di7 s PRO 113 N -4.85 -0.78 -0.26 12.44 0.04 -1.26 -5.00 135.00 135.32 2di7 s PRO 113 Ca 0.50 0.09 0.03 0.00 0.04 0.00 0.00 61.00 61.65 2di7 s PRO 113 Cb -0.10 -1.63 0.06 0.00 0.04 0.00 0.00 34.50 32.86 2di7 s PRO 113 CO 0.46 -3.45 -0.10 0.71 0.04 0.00 0.00 177.00 174.66 2di7 s TYR 114 N -3.00 3.28 -0.47 0.56 2.02 -0.64 -4.94 117.35 114.16 2di7 s TYR 114 Ca 0.69 -2.31 -0.19 0.00 -0.37 0.00 0.00 57.07 54.89 2di7 s TYR 114 Cb -0.12 -1.95 0.04 0.00 -0.40 0.00 0.00 41.96 39.53 2di7 s TYR 114 CO 0.56 -0.88 0.58 0.42 -1.57 0.00 0.00 175.55 174.66 2di7 s ILE 115 N 1.11 4.93 -0.40 2.71 -1.09 -1.26 -3.51 121.20 123.69 2di7 s ILE 115 Ca -0.09 -0.37 -0.01 0.00 -2.23 0.00 0.00 60.65 57.95 2di7 s ILE 115 Cb -0.20 -4.21 0.11 0.00 -1.58 0.00 0.00 42.46 36.58 2di7 s ILE 115 CO -0.05 -0.67 0.17 -0.76 -1.23 0.00 0.00 174.94 172.40 2di7 s LEU 116 N 2.51 5.10 -0.01 2.97 1.02 -1.26 -5.07 118.68 123.93 2di7 s LEU 116 Ca 0.15 -2.12 -0.05 0.00 0.02 0.00 0.00 54.13 52.13 2di7 s LEU 116 Cb -0.18 -1.77 0.00 0.00 0.02 0.00 0.00 46.19 44.26 2di7 s LEU 116 CO 0.13 -0.48 0.10 -1.59 0.02 0.00 0.00 176.35 174.53 2di7 s LYS 117 N 0.99 0.35 0.00 1.70 -2.85 -1.26 -4.59 119.74 114.09 2di7 s LYS 117 Ca 0.10 -0.26 0.00 0.00 -1.00 0.00 0.00 55.97 54.80 2di7 s LYS 117 Cb -0.22 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.70 2di7 s LYS 117 CO -0.05 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 175.74 2di7 n GLY 118 N 1.96 -0.97 3.55 0.59 0.00 -1.26 -4.87 105.19 104.19 2di7 n GLY 118 Ca -0.20 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 2di7 n GLY 118 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2di7 n SER 119 N 0.00 2.05 0.00 1.61 7.64 -1.26 -4.67 113.62 119.00 2di7 n SER 119 Ca 0.00 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.28 2di7 n SER 119 Cb 0.00 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 61.66 2di7 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2di7 n GLY 120 N 6.15 1.22 3.73 0.23 0.00 -1.26 -4.54 105.19 110.72 2di7 n GLY 120 Ca 0.41 0.58 -0.41 0.00 0.00 0.00 0.00 46.02 46.60 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 4.38 0.13 1.61 0.04 -1.26 -4.92 135.00 134.98 2di7 s PRO 121 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2di7 s PRO 121 Cb 0.00 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2di7 s PRO 121 CO 0.00 -0.28 0.00 0.45 0.04 0.00 0.00 177.00 177.21 2di7 n SER 122 N 2.87 0.33 -0.25 6.66 2.88 -1.26 -4.82 113.62 120.03 2di7 n SER 122 Ca 0.07 0.21 0.24 0.00 -1.33 0.00 0.00 58.87 58.06 2di7 n SER 122 Cb 0.43 0.02 0.45 0.00 -0.75 0.00 0.00 64.21 64.36 2di7 n SER 122 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2di7 n SER 123 N -3.16 0.26 -0.74 -3.46 3.41 -1.26 -5.16 113.62 103.51 2di7 n SER 123 Ca 0.00 1.31 0.13 0.00 -0.26 0.00 0.00 58.87 60.05 2di7 n SER 123 Cb 0.00 -0.63 0.30 0.00 -0.26 0.00 0.00 64.21 63.62 2di7 n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49