#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dd3 s TYR 3 N 0.00 2.77 -0.01 0.54 2.02 -1.26 -2.75 117.35 118.66 3dd3 s TYR 3 Ca 0.00 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 3dd3 s TYR 3 Cb 0.00 -1.53 0.02 0.00 -0.40 0.00 0.00 41.96 40.05 3dd3 s TYR 3 CO 0.00 0.36 0.02 0.99 -1.57 0.00 0.00 175.55 175.34 3dd3 s THR 4 N -1.04 -0.02 -0.19 -0.71 2.01 -0.96 0.04 115.64 114.77 3dd3 s THR 4 Ca 0.18 0.12 -0.00 0.00 0.31 0.00 0.00 61.69 62.30 3dd3 s THR 4 Cb -0.11 -0.07 0.02 0.00 0.01 0.00 0.00 72.50 72.35 3dd3 s THR 4 CO 0.09 0.06 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.23 3dd3 s VAL 5 N 0.65 2.37 -0.28 3.82 1.01 0.87 -1.81 120.40 127.03 3dd3 s VAL 5 Ca -0.05 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 3dd3 s VAL 5 Cb -0.08 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 3dd3 s VAL 5 CO -0.02 0.48 0.10 -0.69 0.00 0.00 0.00 175.10 174.97 3dd3 s VAL 6 N 1.32 4.31 0.31 2.92 1.01 -0.37 0.84 120.40 130.75 3dd3 s VAL 6 Ca 0.04 -0.39 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 3dd3 s VAL 6 Cb -0.14 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.15 3dd3 s VAL 6 CO -0.10 0.19 0.75 -0.47 0.00 0.00 0.00 175.10 175.46 3dd3 s TYR 7 N 1.58 -0.10 0.66 5.22 5.04 -0.94 -1.72 117.35 127.08 3dd3 s TYR 7 Ca 0.05 -0.41 -0.11 0.00 -2.44 0.00 0.00 57.07 54.15 3dd3 s TYR 7 Cb -0.16 0.74 -0.02 0.00 0.35 0.00 0.00 41.96 42.88 3dd3 s TYR 7 CO 0.04 -1.32 1.05 -0.06 -1.34 0.00 0.00 175.55 173.91 3dd3 s PHE 8 N -3.46 3.34 -0.84 4.97 0.08 -1.26 -1.31 117.98 119.50 3dd3 s PHE 8 Ca 0.12 1.37 -0.06 0.00 0.12 0.00 0.00 56.93 58.48 3dd3 s PHE 8 Cb -0.06 -2.81 -0.06 0.00 -0.57 0.00 0.00 43.02 39.52 3dd3 s PHE 8 CO 0.08 -0.97 2.16 -2.30 -0.10 0.00 0.00 175.22 174.09 3dd3 n PRO 9 N -2.90 2.04 -4.12 0.24 -0.02 -1.26 -4.76 135.00 124.23 3dd3 n PRO 9 Ca 0.07 -1.39 -0.09 0.00 -2.02 0.00 0.00 63.50 60.07 3dd3 n PRO 9 Cb 0.54 -2.39 -0.10 0.00 -0.02 0.00 0.00 33.50 31.53 3dd3 n PRO 9 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3dd3 s VAL 10 N 3.19 0.12 -0.07 -1.45 -7.23 -1.26 -4.43 120.40 109.26 3dd3 s VAL 10 Ca 0.40 -1.83 -0.07 0.00 -1.81 0.00 0.00 61.98 58.67 3dd3 s VAL 10 Cb 0.11 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 3dd3 s VAL 10 CO -0.03 -0.54 0.30 0.03 -0.31 0.00 0.00 175.10 174.55 3dd3 h ARG 11 N 2.88 -0.23 0.00 4.82 3.08 -1.16 -3.46 114.38 120.32 3dd3 h ARG 11 Ca -0.35 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3dd3 h ARG 11 Cb 1.19 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3dd3 h ARG 11 CO 0.59 -0.12 0.00 0.41 -1.07 0.00 0.00 179.97 179.78 3dd3 n GLY 12 N 1.16 1.80 0.00 0.04 0.00 -0.65 -1.35 105.19 106.19 3dd3 n GLY 12 Ca -0.03 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.04 3dd3 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dd3 n ARG 13 N 10.34 0.67 0.00 1.61 1.74 -1.26 -2.52 116.66 127.24 3dd3 n ARG 13 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 3dd3 n ARG 13 Cb 0.00 -1.30 -0.05 0.00 -1.02 0.00 0.00 32.46 30.10 3dd3 n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dd3 h ALA 15 N 2.05 1.43 0.11 0.00 0.00 -0.93 -0.13 119.26 121.78 3dd3 h ALA 15 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.47 3dd3 h ALA 15 Cb 0.37 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 18.01 3dd3 h ALA 15 CO 0.00 0.42 -1.22 0.00 0.00 0.00 0.00 179.25 178.45 3dd3 h ALA 16 N 1.53 0.03 -0.33 0.00 0.00 -1.83 -1.11 119.26 117.55 3dd3 h ALA 16 Ca 0.14 -0.77 -0.17 0.00 0.00 0.00 0.00 54.91 54.12 3dd3 h ALA 16 Cb 0.20 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3dd3 h ALA 16 CO -0.01 0.71 -0.44 1.37 0.00 0.00 0.00 179.25 180.88 3dd3 h LEU 17 N 0.27 0.95 -0.68 0.00 8.10 -1.81 -1.87 115.31 120.28 3dd3 h LEU 17 Ca -0.18 -0.50 -0.03 0.00 0.11 0.00 0.00 57.88 57.28 3dd3 h LEU 17 Cb 1.89 -0.27 -0.03 0.00 -0.44 0.00 0.00 40.66 41.81 3dd3 h LEU 17 CO 0.23 1.27 0.31 0.03 -4.11 0.00 0.00 178.44 176.17 3dd3 h ARG 18 N 0.67 1.00 -0.95 0.17 3.08 -1.09 -1.23 114.38 116.02 3dd3 h ARG 18 Ca 0.04 -0.16 0.17 0.00 0.07 0.00 0.00 59.98 60.10 3dd3 h ARG 18 Cb 1.05 -0.17 -0.10 0.00 0.08 0.00 0.00 29.97 30.82 3dd3 h ARG 18 CO 0.10 0.80 0.55 0.52 -1.07 0.00 0.00 179.97 180.88 3dd3 h MET 19 N 0.96 0.71 0.32 0.04 2.86 -1.02 -1.56 114.93 117.23 3dd3 h MET 19 Ca 0.23 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3dd3 h MET 19 Cb 0.15 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3dd3 h MET 19 CO -0.03 0.47 -0.15 1.25 1.06 0.00 0.00 176.91 179.51 3dd3 h LEU 20 N 0.73 -0.36 -0.81 1.22 6.46 -0.91 -1.15 115.31 120.49 3dd3 h LEU 20 Ca 0.53 -0.16 0.18 0.00 -0.12 0.00 0.00 57.88 58.32 3dd3 h LEU 20 Cb 0.79 0.09 -0.15 0.00 -0.73 0.00 0.00 40.66 40.67 3dd3 h LEU 20 CO -0.37 0.10 -0.06 -0.07 -0.62 0.00 0.00 178.44 177.42 3dd3 h LEU 21 N -0.97 -0.50 0.08 2.25 3.38 -1.20 -0.92 115.31 117.43 3dd3 h LEU 21 Ca -0.04 0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3dd3 h LEU 21 Cb 0.50 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3dd3 h LEU 21 CO 0.07 -0.23 -0.04 0.00 0.09 0.00 0.00 178.44 178.33 3dd3 h ALA 22 N 1.78 -0.11 -0.43 1.53 0.00 -1.20 0.22 119.26 121.07 3dd3 h ALA 22 Ca 0.43 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.23 3dd3 h ALA 22 Cb 0.76 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3dd3 h ALA 22 CO -0.76 -0.46 0.28 0.22 0.00 0.00 0.00 179.25 178.54 3dd3 h ASP 23 N -0.31 0.48 -0.25 0.00 3.58 -0.92 -2.21 116.42 116.79 3dd3 h ASP 23 Ca -0.01 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3dd3 h ASP 23 Cb 0.27 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.20 3dd3 h ASP 23 CO 0.02 0.35 0.00 0.00 -2.88 0.00 0.00 179.24 176.73 3dd3 n GLN 24 N -4.47 1.91 -4.05 0.28 1.13 -0.37 -4.85 117.38 106.95 3dd3 n GLN 24 Ca 0.03 -1.04 -0.31 0.00 -1.94 0.00 0.00 57.00 53.75 3dd3 n GLN 24 Cb 0.06 -1.41 -0.01 0.00 0.11 0.00 0.00 30.24 28.99 3dd3 n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dd3 n GLY 25 N 0.69 -0.36 3.94 1.08 0.00 -0.83 -5.00 105.19 104.71 3dd3 n GLY 25 Ca 0.09 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 3dd3 n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dd3 s GLN 26 N -6.71 3.39 -0.05 1.61 -1.52 0.77 -5.03 119.66 112.12 3dd3 s GLN 26 Ca 0.43 -0.33 0.04 0.00 -1.95 0.00 0.00 55.36 53.55 3dd3 s GLN 26 Cb -0.23 -2.61 -0.03 0.00 -0.22 0.00 0.00 33.01 29.92 3dd3 s GLN 26 CO 0.89 0.02 -0.15 -1.12 -0.25 0.00 0.00 175.29 174.68 3dd3 s SER 27 N -4.08 3.95 0.04 5.90 0.01 -1.26 -4.57 113.70 113.68 3dd3 s SER 27 Ca 0.43 -0.22 -0.06 0.00 1.31 0.00 0.00 55.95 57.41 3dd3 s SER 27 Cb -0.10 -0.82 -0.01 0.00 0.21 0.00 0.00 66.02 65.30 3dd3 s SER 27 CO 0.37 0.34 0.10 -1.66 0.41 0.00 0.00 173.24 172.80 3dd3 s TRP 28 N -0.70 0.19 -0.03 2.43 -2.14 -1.26 -4.09 118.94 113.34 3dd3 s TRP 28 Ca 0.11 -0.48 -0.18 0.00 2.66 0.00 0.00 56.10 58.20 3dd3 s TRP 28 Cb -0.11 -0.14 -0.05 0.00 -3.10 0.00 0.00 33.47 30.08 3dd3 s TRP 28 CO 0.00 -0.36 0.50 0.21 -2.66 0.00 0.00 176.95 174.64 3dd3 s LYS 29 N -2.55 4.21 -0.18 3.25 2.47 0.11 -4.96 119.74 122.08 3dd3 s LYS 29 Ca -0.05 0.55 -0.13 0.00 -1.56 0.00 0.00 55.97 54.78 3dd3 s LYS 29 Cb -0.01 -3.33 -0.05 0.00 -1.46 0.00 0.00 37.83 32.98 3dd3 s LYS 29 CO -0.04 0.42 0.24 -1.21 0.16 0.00 0.00 175.35 174.92 3dd3 s GLU 30 N -0.27 4.23 -0.18 4.03 0.41 -1.26 -0.09 118.70 125.57 3dd3 s GLU 30 Ca 0.27 -0.01 -0.00 0.00 -0.41 0.00 0.00 54.97 54.81 3dd3 s GLU 30 Cb -0.17 -3.44 0.00 0.00 -1.78 0.00 0.00 34.13 28.75 3dd3 s GLU 30 CO 0.14 0.23 -0.15 -2.00 -0.49 0.00 0.00 175.26 173.00 3dd3 s GLU 31 N 0.51 3.17 0.21 1.61 2.56 0.25 -4.90 118.70 122.11 3dd3 s GLU 31 Ca 0.14 -0.75 -0.10 0.00 0.00 0.00 0.00 54.97 54.25 3dd3 s GLU 31 Cb -0.12 -2.68 -0.07 0.00 2.00 0.00 0.00 34.13 33.26 3dd3 s GLU 31 CO 0.02 -0.10 0.54 0.08 -0.56 0.00 0.00 175.26 175.24 3dd3 s VAL 32 N 1.09 4.94 -0.14 3.70 1.01 -1.26 -2.21 120.40 127.53 3dd3 s VAL 32 Ca 0.00 0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 3dd3 s VAL 32 Cb -0.14 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.65 3dd3 s VAL 32 CO -0.05 -0.02 0.01 -0.69 0.00 0.00 0.00 175.10 174.35 3dd3 s VAL 33 N -1.76 0.56 0.64 2.92 1.01 -0.43 -4.88 120.40 118.46 3dd3 s VAL 33 Ca 0.46 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 3dd3 s VAL 33 Cb -0.12 -0.87 0.13 0.00 0.00 0.00 0.00 36.38 35.53 3dd3 s VAL 33 CO 0.21 0.04 0.88 0.35 0.00 0.00 0.00 175.10 176.58 3dd3 n THR 34 N 5.06 0.00 -0.04 3.92 -2.24 -1.26 -4.21 114.28 115.52 3dd3 n THR 34 Ca -0.09 -1.10 -0.12 0.00 -2.27 0.00 0.00 64.05 60.47 3dd3 n THR 34 Cb 0.48 -1.19 -0.07 0.00 -2.10 0.00 0.00 70.33 67.46 3dd3 n THR 34 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3dd3 h VAL 35 N -0.89 1.27 -0.02 2.28 -1.51 -2.01 -2.73 116.25 112.64 3dd3 h VAL 35 Ca -0.29 -0.86 -0.18 0.00 -1.23 0.00 0.00 66.70 64.14 3dd3 h VAL 35 Cb 0.96 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.73 3dd3 h VAL 35 CO 0.27 0.25 -0.78 -0.08 -1.23 0.00 0.00 177.57 175.99 3dd3 h GLU 36 N -0.09 0.17 -0.23 5.19 4.81 -1.98 -1.63 114.58 120.82 3dd3 h GLU 36 Ca 0.03 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3dd3 h GLU 36 Cb 0.39 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3dd3 h GLU 36 CO 0.01 0.87 0.15 1.15 -0.73 0.00 0.00 179.01 180.45 3dd3 h THR 37 N 0.11 1.08 -0.03 0.32 2.02 -1.96 -1.69 112.91 112.76 3dd3 h THR 37 Ca -0.03 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3dd3 h THR 37 Cb 1.37 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 3dd3 h THR 37 CO 0.12 0.08 -0.03 -0.25 0.37 0.00 0.00 175.52 175.81 3dd3 h TRP 38 N 0.30 0.08 -0.78 3.16 2.91 -1.47 -3.26 115.95 116.90 3dd3 h TRP 38 Ca 0.08 -0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.16 3dd3 h TRP 38 Cb -0.00 -0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 28.56 3dd3 h TRP 38 CO -0.05 0.53 0.45 1.96 -1.03 0.00 0.00 178.44 180.30 3dd3 h GLN 39 N -0.39 0.77 -0.78 2.65 4.20 -1.35 -2.58 115.11 117.63 3dd3 h GLN 39 Ca 0.00 -0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.76 3dd3 h GLN 39 Cb 0.52 -0.17 -0.11 0.00 0.30 0.00 0.00 27.48 28.02 3dd3 h GLN 39 CO 0.01 0.51 -0.40 -1.91 -0.67 0.00 0.00 178.83 176.36 3dd3 n GLU 40 N -4.73 -0.28 0.00 1.46 0.00 -0.64 -4.85 120.64 111.59 3dd3 n GLU 40 Ca 0.11 1.19 0.00 0.00 0.00 0.00 0.00 57.16 58.47 3dd3 n GLU 40 Cb 0.22 -1.76 0.00 0.00 0.00 0.00 0.00 31.44 29.90 3dd3 n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3dd3 n GLY 41 N -1.26 1.18 0.19 8.31 0.00 -0.97 -5.03 105.19 107.60 3dd3 n GLY 41 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3dd3 n GLY 41 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3dd3 h SER 42 N 0.00 -0.38 -0.51 1.61 0.02 -1.81 -3.06 113.55 109.42 3dd3 h SER 42 Ca 0.00 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3dd3 h SER 42 Cb 0.00 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 3dd3 h SER 42 CO 0.00 -0.13 0.29 0.25 -1.14 0.00 0.00 176.83 176.09 3dd3 h LEU 43 N -0.72 0.44 -0.85 5.07 5.85 -1.87 -2.04 115.31 121.20 3dd3 h LEU 43 Ca -0.05 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.77 3dd3 h LEU 43 Cb 0.34 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 3dd3 h LEU 43 CO 0.07 0.30 0.51 0.50 -0.34 0.00 0.00 178.44 179.49 3dd3 h LYS 44 N 0.56 0.88 0.00 1.25 3.64 -1.82 -1.72 116.57 119.36 3dd3 h LYS 44 Ca 0.22 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3dd3 h LYS 44 Cb 0.08 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3dd3 h LYS 44 CO -0.13 0.58 -0.08 0.00 -2.27 0.00 0.00 179.45 177.56 3dd3 h ALA 45 N 1.43 1.05 -0.01 5.00 0.00 -1.26 -2.53 119.26 122.93 3dd3 h ALA 45 Ca 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3dd3 h ALA 45 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3dd3 h ALA 45 CO -0.20 0.10 -0.29 -1.13 0.00 0.00 0.00 179.25 177.73 3dd3 n SER 46 N -3.25 1.57 -4.81 0.00 3.41 -0.69 -4.91 113.62 104.95 3dd3 n SER 46 Ca -0.00 -1.26 -0.38 0.00 -0.26 0.00 0.00 58.87 56.97 3dd3 n SER 46 Cb 0.31 0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 3dd3 n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dd3 h LEU 48 N 4.07 0.15 -3.19 0.00 5.85 -1.87 -2.80 115.31 117.52 3dd3 h LEU 48 Ca -0.48 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3dd3 h LEU 48 Cb 1.20 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3dd3 h LEU 48 CO 0.65 0.12 0.00 -1.22 -0.34 0.00 0.00 178.44 177.64 3dd3 n TYR 49 N -5.02 0.76 -1.48 1.25 4.01 -1.26 -4.94 117.16 110.48 3dd3 n TYR 49 Ca 0.05 -0.87 -0.10 0.00 -0.16 0.00 0.00 57.90 56.82 3dd3 n TYR 49 Cb 0.20 -0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 38.92 3dd3 n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dd3 n GLY 50 N -0.60 0.90 3.46 2.72 0.00 -1.06 -4.99 105.19 105.63 3dd3 n GLY 50 Ca 0.20 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 3dd3 n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dd3 s GLN 51 N -3.19 1.43 0.30 1.61 -0.21 -1.26 -4.91 119.66 113.43 3dd3 s GLN 51 Ca 0.00 -1.36 0.07 0.00 0.02 0.00 0.00 55.36 54.09 3dd3 s GLN 51 Cb 0.00 0.41 -0.06 0.00 1.00 0.00 0.00 33.01 34.36 3dd3 s GLN 51 CO 0.00 -0.56 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.03 3dd3 s LEU 52 N -3.06 2.55 0.99 2.90 1.43 -1.26 -4.66 118.68 117.57 3dd3 s LEU 52 Ca 0.27 -1.19 -0.11 0.00 -1.03 0.00 0.00 54.13 52.07 3dd3 s LEU 52 Cb 0.02 -0.74 0.18 0.00 0.03 0.00 0.00 46.19 45.69 3dd3 s LEU 52 CO 0.10 -0.31 1.10 -2.16 0.23 0.00 0.00 176.35 175.31 3dd3 s PRO 53 N -3.70 0.48 0.04 1.29 0.04 -1.26 -4.93 135.00 126.97 3dd3 s PRO 53 Ca 0.30 1.19 0.06 0.00 0.04 0.00 0.00 61.00 62.59 3dd3 s PRO 53 Cb 0.03 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.86 3dd3 s PRO 53 CO 0.13 -2.88 -0.17 0.21 0.04 0.00 0.00 177.00 174.33 3dd3 s LYS 54 N -4.64 1.12 -0.03 4.56 2.20 -0.70 -3.96 119.74 118.29 3dd3 s LYS 54 Ca 0.66 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 55.47 3dd3 s LYS 54 Cb -0.22 -1.17 0.01 0.00 -1.51 0.00 0.00 37.83 34.93 3dd3 s LYS 54 CO 0.60 0.29 -0.07 0.12 -0.36 0.00 0.00 175.35 175.93 3dd3 s PHE 55 N -0.82 0.80 -0.11 4.03 5.36 0.02 -1.23 117.98 126.03 3dd3 s PHE 55 Ca 0.04 -0.20 -0.01 0.00 -0.96 0.00 0.00 56.93 55.81 3dd3 s PHE 55 Cb -0.08 -0.60 -0.03 0.00 -0.34 0.00 0.00 43.02 41.97 3dd3 s PHE 55 CO 0.01 -0.11 -0.07 -0.65 -1.46 0.00 0.00 175.22 172.94 3dd3 s GLN 56 N 0.35 3.14 -0.45 10.12 -1.52 -0.75 -1.31 119.66 129.24 3dd3 s GLN 56 Ca -0.05 -0.57 0.02 0.00 -1.95 0.00 0.00 55.36 52.81 3dd3 s GLN 56 Cb -0.09 -2.69 0.15 0.00 -0.22 0.00 0.00 33.01 30.16 3dd3 s GLN 56 CO 0.00 0.45 0.29 0.34 -0.25 0.00 0.00 175.29 176.12 3dd3 s ASP 57 N -0.23 3.09 1.52 5.90 -1.08 0.11 -2.27 116.67 123.71 3dd3 s ASP 57 Ca 0.03 -2.79 0.00 0.00 -0.52 0.00 0.00 52.55 49.27 3dd3 s ASP 57 Cb -0.13 -0.82 0.00 0.00 -1.46 0.00 0.00 42.92 40.51 3dd3 s ASP 57 CO 0.03 -0.23 0.00 0.61 0.52 0.00 0.00 175.17 176.10 3dd3 n GLY 58 N 3.28 2.18 0.00 2.66 0.00 -1.11 -1.82 105.19 110.38 3dd3 n GLY 58 Ca 0.16 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3dd3 n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dd3 n ASP 59 N 6.31 0.00 -4.65 1.61 9.92 -1.26 -4.83 116.55 123.65 3dd3 n ASP 59 Ca 0.00 -0.25 -0.37 0.00 -0.53 0.00 0.00 54.79 53.63 3dd3 n ASP 59 Cb 0.00 -0.21 -0.09 0.00 -0.64 0.00 0.00 41.12 40.18 3dd3 n ASP 59 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3dd3 s LEU 60 N -2.43 4.12 -0.14 0.64 2.96 -0.76 -5.08 118.68 118.00 3dd3 s LEU 60 Ca 0.27 0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 54.42 3dd3 s LEU 60 Cb 0.17 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 3dd3 s LEU 60 CO 0.36 -0.02 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.43 3dd3 s THR 61 N 1.29 3.74 0.03 3.68 2.01 -1.26 -0.71 115.64 124.42 3dd3 s THR 61 Ca 0.12 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.73 3dd3 s THR 61 Cb -0.14 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 3dd3 s THR 61 CO 0.07 0.52 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.65 3dd3 s LEU 62 N 0.16 2.17 0.45 4.42 1.43 -0.43 -4.99 118.68 121.90 3dd3 s LEU 62 Ca -0.03 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 52.71 3dd3 s LEU 62 Cb -0.14 -0.38 -0.04 0.00 0.03 0.00 0.00 46.19 45.66 3dd3 s LEU 62 CO 0.03 -0.05 0.15 -0.31 0.23 0.00 0.00 176.35 176.41 3dd3 s TYR 63 N -0.90 2.34 0.00 0.29 2.02 -1.26 -0.80 117.35 119.03 3dd3 s TYR 63 Ca -0.03 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 55.98 3dd3 s TYR 63 Cb -0.07 -1.87 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 3dd3 s TYR 63 CO 0.01 0.15 0.00 1.04 -1.57 0.00 0.00 175.55 175.17 3dd3 n GLN 64 N -1.27 0.00 -0.27 -0.62 1.13 -1.25 -4.51 117.38 110.59 3dd3 n GLN 64 Ca -0.05 0.38 0.07 0.00 -1.94 0.00 0.00 57.00 55.46 3dd3 n GLN 64 Cb 0.65 -0.44 0.21 0.00 0.11 0.00 0.00 30.24 30.78 3dd3 n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3dd3 h SER 65 N 0.00 0.18 0.48 1.08 4.64 -1.87 -1.06 113.55 117.00 3dd3 h SER 65 Ca 0.00 0.13 -0.14 0.00 -0.47 0.00 0.00 61.79 61.31 3dd3 h SER 65 Cb 0.00 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3dd3 h SER 65 CO 0.00 0.02 -0.62 0.78 -0.87 0.00 0.00 176.83 176.14 3dd3 h ASN 66 N 0.36 0.16 -0.04 4.97 2.35 -1.92 -0.68 115.58 120.78 3dd3 h ASN 66 Ca 0.45 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 56.12 3dd3 h ASN 66 Cb 0.76 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 3dd3 h ASN 66 CO -0.48 0.74 -0.06 0.74 -1.65 0.00 0.00 177.43 176.72 3dd3 h THR 67 N 0.10 0.84 -0.17 2.81 2.02 -1.72 0.17 112.91 116.96 3dd3 h THR 67 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 3dd3 h THR 67 Cb 1.12 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 68.31 3dd3 h THR 67 CO 0.09 0.00 -0.24 0.40 0.37 0.00 0.00 175.52 176.13 3dd3 h ILE 68 N -0.08 0.40 -0.59 3.11 2.04 -1.00 0.90 117.51 122.31 3dd3 h ILE 68 Ca 0.04 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.01 3dd3 h ILE 68 Cb 0.13 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 3dd3 h ILE 68 CO -0.09 0.00 0.09 -0.07 0.00 0.00 0.00 178.15 178.08 3dd3 h LEU 69 N -0.29 -0.07 -0.28 1.44 3.38 -0.89 -1.19 115.31 117.40 3dd3 h LEU 69 Ca 0.11 0.12 -0.13 0.00 0.09 0.00 0.00 57.88 58.08 3dd3 h LEU 69 Cb 0.46 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3dd3 h LEU 69 CO -0.34 -0.02 -0.33 0.03 0.09 0.00 0.00 178.44 177.87 3dd3 h ARG 70 N 0.21 0.71 -0.52 1.13 3.08 -0.33 0.16 114.38 118.83 3dd3 h ARG 70 Ca 0.31 -0.39 0.07 0.00 0.07 0.00 0.00 59.98 60.04 3dd3 h ARG 70 Cb 0.47 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.48 3dd3 h ARG 70 CO -0.42 1.01 0.17 1.25 -1.07 0.00 0.00 179.97 180.91 3dd3 h HIS 71 N 0.45 0.30 -0.30 3.04 2.76 -0.57 0.12 115.15 120.95 3dd3 h HIS 71 Ca 0.04 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.12 3dd3 h HIS 71 Cb 0.91 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.80 3dd3 h HIS 71 CO 0.08 0.08 -0.29 -0.07 -1.30 0.00 0.00 177.93 176.42 3dd3 h LEU 72 N 0.34 0.64 -0.98 0.26 3.38 -0.85 -0.58 115.31 117.53 3dd3 h LEU 72 Ca 0.25 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3dd3 h LEU 72 Cb 0.29 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3dd3 h LEU 72 CO -0.27 0.90 -0.05 1.23 0.09 0.00 0.00 178.44 180.35 3dd3 h GLY 73 N 1.01 0.74 0.30 0.83 0.00 -0.28 -0.15 103.07 105.51 3dd3 h GLY 73 Ca 0.07 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3dd3 h GLY 73 CO 0.06 0.46 -0.02 -0.09 0.00 0.00 0.00 176.54 176.96 3dd3 h ARG 74 N 0.64 -0.05 0.00 4.80 2.43 -0.34 0.51 114.38 122.37 3dd3 h ARG 74 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3dd3 h ARG 74 Cb 0.47 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3dd3 h ARG 74 CO 0.02 0.58 -0.05 1.79 -1.51 0.00 0.00 179.97 180.81 3dd3 h THR 75 N -0.75 0.00 -0.45 0.20 1.35 -1.07 -3.03 112.91 109.17 3dd3 h THR 75 Ca -0.01 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3dd3 h THR 75 Cb 0.65 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3dd3 h THR 75 CO 0.01 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 3dd3 n LEU 76 N -3.07 3.28 -1.93 3.87 4.77 -0.08 -4.98 117.00 118.87 3dd3 n LEU 76 Ca 0.04 -1.80 -0.09 0.00 -0.03 0.00 0.00 56.01 54.12 3dd3 n LEU 76 Cb 0.53 -0.30 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 3dd3 n LEU 76 CO 0.34 0.78 0.09 0.61 -1.33 0.00 0.00 177.39 177.88 3dd3 n GLY 77 N 1.09 0.22 1.79 -0.72 0.00 -0.98 -4.97 105.19 101.64 3dd3 n GLY 77 Ca 0.17 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 3dd3 n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dd3 n LEU 78 N -2.43 4.87 -2.56 0.99 4.77 0.17 -4.81 117.00 118.00 3dd3 n LEU 78 Ca -0.04 -4.51 -0.16 0.00 -0.03 0.00 0.00 56.01 51.26 3dd3 n LEU 78 Cb 0.54 -0.46 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3dd3 n LEU 78 CO 0.28 1.88 0.03 0.00 -1.33 0.00 0.00 177.39 178.24 3dd3 n TYR 79 N -0.82 2.15 -0.63 -1.77 4.19 -1.20 -1.52 117.16 117.57 3dd3 n TYR 79 Ca 0.42 -2.83 0.08 0.00 3.31 0.00 0.00 57.90 58.88 3dd3 n TYR 79 Cb 0.91 -0.25 -0.03 0.00 0.49 0.00 0.00 39.34 40.46 3dd3 n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3dd3 n GLY 80 N -0.31 -2.11 0.08 2.98 0.00 -1.26 -3.86 105.19 100.71 3dd3 n GLY 80 Ca 0.23 -1.34 0.04 0.00 0.00 0.00 0.00 46.02 44.95 3dd3 n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dd3 n LYS 81 N -3.11 0.63 -3.44 1.61 2.85 -1.26 -4.82 118.16 110.62 3dd3 n LYS 81 Ca -0.01 0.09 -0.10 0.00 -1.05 0.00 0.00 58.31 57.24 3dd3 n LYS 81 Cb 0.29 -1.73 -0.01 0.00 -0.65 0.00 0.00 35.03 32.94 3dd3 n LYS 81 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3dd3 n ASP 82 N -2.70 -1.38 -0.01 -5.58 5.68 -1.26 -5.04 116.55 106.26 3dd3 n ASP 82 Ca -0.09 -2.47 0.00 0.00 -0.50 0.00 0.00 54.79 51.74 3dd3 n ASP 82 Cb 0.75 2.44 0.30 0.00 -1.14 0.00 0.00 41.12 43.47 3dd3 n ASP 82 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3dd3 h GLN 83 N 0.00 0.55 -0.30 0.11 4.20 -1.94 0.18 115.11 117.91 3dd3 h GLN 83 Ca -0.24 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.37 3dd3 h GLN 83 Cb 0.99 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 3dd3 h GLN 83 CO 0.32 0.55 0.19 0.37 -0.67 0.00 0.00 178.83 179.59 3dd3 h GLN 84 N 0.54 0.38 -0.11 1.46 4.15 -1.98 -0.73 115.11 118.81 3dd3 h GLN 84 Ca 0.12 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3dd3 h GLN 84 Cb 0.29 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 3dd3 h GLN 84 CO 0.00 0.25 0.03 0.93 -1.93 0.00 0.00 178.83 178.12 3dd3 h GLU 85 N 0.39 0.18 -0.86 1.69 5.08 -1.85 -2.06 114.58 117.16 3dd3 h GLU 85 Ca 0.11 -0.04 0.22 0.00 -1.00 0.00 0.00 59.36 58.65 3dd3 h GLU 85 Cb -0.04 -0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.04 3dd3 h GLU 85 CO -0.03 0.32 0.08 0.00 -1.00 0.00 0.00 179.01 178.38 3dd3 h ALA 86 N 0.85 1.03 -0.42 3.43 0.00 -0.49 0.39 119.26 124.06 3dd3 h ALA 86 Ca 0.04 0.26 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 3dd3 h ALA 86 Cb 0.22 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3dd3 h ALA 86 CO -0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 179.25 178.68 3dd3 h ALA 87 N 1.80 1.06 -0.22 0.00 0.00 -0.83 -2.35 119.26 118.72 3dd3 h ALA 87 Ca 0.50 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 3dd3 h ALA 87 Cb 0.97 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3dd3 h ALA 87 CO -0.73 0.58 -0.57 -0.07 0.00 0.00 0.00 179.25 178.45 3dd3 h LEU 88 N 0.67 0.79 -0.21 0.00 3.38 -0.30 -1.50 115.31 118.13 3dd3 h LEU 88 Ca 0.12 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.71 3dd3 h LEU 88 Cb 0.55 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3dd3 h LEU 88 CO 0.03 1.19 -0.15 0.58 0.09 0.00 0.00 178.44 180.19 3dd3 h VAL 89 N 0.53 0.58 -0.33 1.22 2.07 -0.20 0.29 116.25 120.41 3dd3 h VAL 89 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3dd3 h VAL 89 Cb 1.15 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3dd3 h VAL 89 CO 0.12 0.00 0.21 0.44 0.02 0.00 0.00 177.57 178.36 3dd3 h ASP 90 N -0.14 0.36 -0.73 0.57 3.32 -1.31 0.35 116.42 118.83 3dd3 h ASP 90 Ca 0.12 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.23 3dd3 h ASP 90 Cb 0.32 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 3dd3 h ASP 90 CO -0.30 0.26 0.42 -0.03 -1.72 0.00 0.00 179.24 177.87 3dd3 h MET 91 N 0.43 0.74 0.42 3.56 4.05 -0.99 0.60 114.93 123.74 3dd3 h MET 91 Ca 0.12 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 3dd3 h MET 91 Cb -0.04 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.60 3dd3 h MET 91 CO -0.04 0.49 -0.20 0.28 0.23 0.00 0.00 176.91 177.67 3dd3 h VAL 92 N 0.76 0.58 -0.97 -5.77 2.07 -0.29 -2.42 116.25 110.22 3dd3 h VAL 92 Ca 0.33 -0.24 0.19 0.00 0.82 0.00 0.00 66.70 67.80 3dd3 h VAL 92 Cb 0.20 0.70 -0.09 0.00 -1.52 0.00 0.00 31.29 30.58 3dd3 h VAL 92 CO -0.19 0.04 0.61 -1.13 0.02 0.00 0.00 177.57 176.93 3dd3 h ASN 93 N -0.70 0.65 1.01 0.57 -0.73 0.16 0.15 115.58 116.69 3dd3 h ASN 93 Ca -0.06 0.07 -0.19 0.00 1.87 0.00 0.00 56.30 58.00 3dd3 h ASN 93 Cb 0.50 -0.05 -0.03 0.00 0.27 0.00 0.00 38.32 39.02 3dd3 h ASN 93 CO 0.09 0.25 -0.88 0.44 -0.37 0.00 0.00 177.43 176.96 3dd3 h ASP 94 N 0.64 0.00 -0.74 1.15 3.32 -0.76 0.30 116.42 120.34 3dd3 h ASP 94 Ca 0.53 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.52 3dd3 h ASP 94 Cb 0.97 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 3dd3 h ASP 94 CO -0.29 0.88 0.26 1.23 -1.72 0.00 0.00 179.24 179.61 3dd3 h GLY 95 N 2.90 1.22 0.83 2.75 0.00 -0.90 0.11 103.07 109.99 3dd3 h GLY 95 Ca -0.01 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 3dd3 h GLY 95 CO 0.12 0.66 0.01 -2.08 0.00 0.00 0.00 176.54 175.24 3dd3 h VAL 96 N 1.09 1.14 -0.77 4.60 2.07 -0.61 -2.23 116.25 121.54 3dd3 h VAL 96 Ca 0.24 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.41 3dd3 h VAL 96 Cb 0.27 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3dd3 h VAL 96 CO -0.01 0.11 0.50 -0.08 0.02 0.00 0.00 177.57 178.11 3dd3 h GLU 97 N -0.14 0.82 -0.12 1.57 4.57 -0.30 -0.35 114.58 120.61 3dd3 h GLU 97 Ca 0.01 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3dd3 h GLU 97 Cb 0.17 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3dd3 h GLU 97 CO -0.00 0.54 0.04 -0.44 -1.18 0.00 0.00 179.01 177.98 3dd3 h ASP 98 N 0.84 0.18 -0.17 1.04 3.32 -0.35 -0.79 116.42 120.49 3dd3 h ASP 98 Ca 0.33 -0.18 -0.12 0.00 0.02 0.00 0.00 57.03 57.07 3dd3 h ASP 98 Cb 0.20 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3dd3 h ASP 98 CO -0.11 0.31 -0.30 0.25 -1.72 0.00 0.00 179.24 177.67 3dd3 h LEU 99 N 0.03 0.68 -0.85 1.55 5.85 -1.21 -2.65 115.31 118.71 3dd3 h LEU 99 Ca 0.04 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.54 3dd3 h LEU 99 Cb 0.20 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3dd3 h LEU 99 CO -0.00 0.94 0.54 -0.09 -0.34 0.00 0.00 178.44 179.49 3dd3 h ARG 100 N 0.56 1.00 -0.57 1.25 2.43 -0.98 0.74 114.38 118.81 3dd3 h ARG 100 Ca 0.07 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3dd3 h ARG 100 Cb 0.80 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 3dd3 h ARG 100 CO 0.07 0.66 0.38 0.00 -1.51 0.00 0.00 179.97 179.56 3dd3 h LYS 102 N 0.58 0.58 -0.05 0.00 1.57 -0.92 -2.99 116.57 115.34 3dd3 h LYS 102 Ca 0.24 -0.62 0.04 0.00 -1.87 0.00 0.00 60.65 58.44 3dd3 h LYS 102 Cb 0.22 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 3dd3 h LYS 102 CO -0.07 1.23 -0.28 -0.92 -0.57 0.00 0.00 179.45 178.84 3dd3 h TYR 103 N 0.18 -0.75 -0.58 -1.35 3.20 -0.68 -2.29 116.97 114.70 3dd3 h TYR 103 Ca -0.10 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.86 3dd3 h TYR 103 Cb 1.52 0.34 -0.06 0.00 1.54 0.00 0.00 36.73 40.07 3dd3 h TYR 103 CO 0.12 -0.36 0.28 0.82 -1.64 0.00 0.00 178.16 177.38 3dd3 h ILE 104 N -0.39 0.91 0.09 1.81 2.04 -1.33 -0.79 117.51 119.85 3dd3 h ILE 104 Ca 0.08 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3dd3 h ILE 104 Cb 0.50 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3dd3 h ILE 104 CO -0.27 0.10 -0.28 -1.28 0.00 0.00 0.00 178.15 176.41 3dd3 h SER 105 N 0.53 -0.83 0.00 1.72 0.87 -1.47 0.17 113.55 114.54 3dd3 h SER 105 Ca 0.27 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 3dd3 h SER 105 Cb 0.22 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3dd3 h SER 105 CO -0.21 -0.30 0.00 -0.11 -0.53 0.00 0.00 176.83 175.68 3dd3 n LEU 106 N -4.03 0.00 -0.31 2.23 7.94 -0.87 -0.04 117.00 121.91 3dd3 n LEU 106 Ca -0.05 0.67 0.08 0.00 -1.11 0.00 0.00 56.01 55.61 3dd3 n LEU 106 Cb 0.22 -0.23 0.19 0.00 0.53 0.00 0.00 43.42 44.14 3dd3 n LEU 106 CO 0.09 -0.23 0.76 0.40 -1.11 0.00 0.00 177.39 177.31 3dd3 h ILE 107 N 0.00 0.13 0.05 1.96 1.08 -1.10 0.22 117.51 119.86 3dd3 h ILE 107 Ca 0.00 -0.01 -0.36 0.00 -0.39 0.00 0.00 64.86 64.10 3dd3 h ILE 107 Cb 0.00 0.10 -0.04 0.00 -3.07 0.00 0.00 36.82 33.80 3dd3 h ILE 107 CO 0.00 0.01 -2.16 -1.22 -0.69 0.00 0.00 178.15 174.09 3dd3 n TYR 108 N -5.48 0.67 -0.10 1.37 4.01 0.60 -4.49 117.16 113.74 3dd3 n TYR 108 Ca 0.17 0.16 -0.19 0.00 -0.16 0.00 0.00 57.90 57.88 3dd3 n TYR 108 Cb 0.57 -1.10 -0.09 0.00 -0.31 0.00 0.00 39.34 38.42 3dd3 n TYR 108 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3dd3 n THR 109 N -3.26 1.51 -2.68 -0.72 -2.24 0.94 -4.81 114.28 103.01 3dd3 n THR 109 Ca -0.34 -0.04 -0.08 0.00 -2.27 0.00 0.00 64.05 61.31 3dd3 n THR 109 Cb 1.04 -2.10 0.03 0.00 -2.10 0.00 0.00 70.33 67.21 3dd3 n THR 109 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3dd3 n ASN 110 N -4.43 1.67 0.06 3.42 5.15 -0.87 -4.92 115.26 115.34 3dd3 n ASN 110 Ca -0.31 -2.61 -0.11 0.00 -0.60 0.00 0.00 54.58 50.95 3dd3 n ASN 110 Cb 0.63 -0.51 -0.05 0.00 -0.53 0.00 0.00 39.78 39.32 3dd3 n ASN 110 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3dd3 h TYR 111 N 2.88 -0.35 0.00 1.20 3.20 -0.80 -2.89 116.97 120.21 3dd3 h TYR 111 Ca -0.08 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3dd3 h TYR 111 Cb 1.19 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.62 3dd3 h TYR 111 CO 0.52 -0.20 0.00 0.39 -1.64 0.00 0.00 178.16 177.23 3dd3 n GLU 112 N -5.26 0.00 0.17 1.82 4.71 -1.26 -2.23 120.64 118.58 3dd3 n GLU 112 Ca -0.06 0.62 0.04 0.00 -0.01 0.00 0.00 57.16 57.75 3dd3 n GLU 112 Cb 0.18 -1.43 0.23 0.00 -1.01 0.00 0.00 31.44 29.41 3dd3 n GLU 112 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3dd3 h ALA 113 N -1.67 0.88 0.00 0.62 0.00 -2.00 -3.33 119.26 113.75 3dd3 h ALA 113 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3dd3 h ALA 113 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3dd3 h ALA 113 CO 0.00 0.58 -0.19 0.78 0.00 0.00 0.00 179.25 180.41 3dd3 h GLY 114 N 2.42 0.00 1.43 0.00 0.00 -1.46 -3.36 103.07 102.10 3dd3 h GLY 114 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3dd3 h GLY 114 CO 0.06 0.00 0.19 1.70 0.00 0.00 0.00 176.54 178.49 3dd3 h LYS 115 N 0.00 0.73 -0.09 4.80 3.64 -1.56 -1.79 116.57 122.30 3dd3 h LYS 115 Ca -0.00 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3dd3 h LYS 115 Cb 1.01 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3dd3 h LYS 115 CO 0.00 0.61 0.05 -0.44 -2.27 0.00 0.00 179.45 177.40 3dd3 h ASP 116 N 0.72 0.11 0.76 4.20 5.19 -1.84 -2.27 116.42 123.29 3dd3 h ASP 116 Ca 0.17 -0.10 -0.08 0.00 -0.62 0.00 0.00 57.03 56.41 3dd3 h ASP 116 Cb 0.16 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3dd3 h ASP 116 CO -0.01 0.18 -0.36 0.44 -3.12 0.00 0.00 179.24 176.36 3dd3 h ASP 117 N 0.04 0.00 -0.13 6.45 3.32 -1.74 -2.74 116.42 121.62 3dd3 h ASP 117 Ca 0.03 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 3dd3 h ASP 117 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3dd3 h ASP 117 CO -0.00 0.36 -0.44 0.22 -1.72 0.00 0.00 179.24 177.66 3dd3 h TYR 118 N 0.00 0.68 0.00 4.55 5.03 -1.14 -1.86 116.97 124.23 3dd3 h TYR 118 Ca -0.00 -0.28 -0.09 0.00 2.58 0.00 0.00 58.73 60.94 3dd3 h TYR 118 Cb 0.84 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.99 3dd3 h TYR 118 CO 0.00 1.04 -0.42 0.28 -1.32 0.00 0.00 178.16 177.74 3dd3 h VAL 119 N 0.13 1.23 -0.46 1.81 2.07 -1.40 -1.09 116.25 118.54 3dd3 h VAL 119 Ca -0.02 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 65.96 3dd3 h VAL 119 Cb 1.07 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 3dd3 h VAL 119 CO 0.09 0.41 0.02 0.11 0.02 0.00 0.00 177.57 178.22 3dd3 h LYS 120 N 0.00 0.81 0.00 1.57 1.57 -1.45 -3.18 116.57 115.89 3dd3 h LYS 120 Ca -0.00 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3dd3 h LYS 120 Cb 0.78 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 3dd3 h LYS 120 CO 0.05 0.85 -0.01 0.00 -0.57 0.00 0.00 179.45 179.78 3dd3 h ALA 121 N 0.93 1.00 -0.60 3.86 0.00 -0.85 -3.39 119.26 120.21 3dd3 h ALA 121 Ca 0.13 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3dd3 h ALA 121 Cb 0.48 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3dd3 h ALA 121 CO 0.02 0.01 0.37 1.25 0.00 0.00 0.00 179.25 180.90 3dd3 h LEU 122 N 0.00 0.61 -1.30 0.00 5.85 -1.19 -2.71 115.31 116.57 3dd3 h LEU 122 Ca -0.00 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3dd3 h LEU 122 Cb 0.75 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 3dd3 h LEU 122 CO 0.00 0.43 0.48 -0.65 -0.34 0.00 0.00 178.44 178.36 3dd3 h PRO 123 N 0.74 0.93 0.00 5.25 0.11 -1.77 0.10 132.00 137.35 3dd3 h PRO 123 Ca 0.24 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 3dd3 h PRO 123 Cb -0.00 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 30.89 3dd3 h PRO 123 CO -0.09 0.61 -0.15 0.78 -0.21 0.00 0.00 178.00 178.94 3dd3 h GLY 124 N 0.95 0.00 1.71 -0.55 0.00 -1.78 -1.33 103.07 102.08 3dd3 h GLY 124 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3dd3 h GLY 124 CO -0.06 0.00 -0.28 1.46 0.00 0.00 0.00 176.54 177.65 3dd3 h GLN 125 N 0.00 0.00 0.00 4.80 1.08 -0.59 -3.36 115.11 117.04 3dd3 h GLN 125 Ca -0.00 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.92 3dd3 h GLN 125 Cb 0.54 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.92 3dd3 h GLN 125 CO 0.02 0.00 -2.24 1.28 -0.95 0.00 0.00 178.83 176.94 3dd3 n LEU 126 N -2.95 0.07 -0.34 1.46 4.77 -0.57 -4.49 117.00 114.94 3dd3 n LEU 126 Ca 0.03 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3dd3 n LEU 126 Cb 0.53 0.37 0.06 0.00 -2.33 0.00 0.00 43.42 42.05 3dd3 n LEU 126 CO 0.36 0.38 0.62 0.50 -1.33 0.00 0.00 177.39 177.91 3dd3 h LYS 127 N 0.00 -0.02 -0.99 3.23 3.64 -1.41 -1.56 116.57 119.45 3dd3 h LYS 127 Ca -0.41 0.00 0.30 0.00 -1.27 0.00 0.00 60.65 59.27 3dd3 h LYS 127 Cb 1.95 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 33.64 3dd3 h LYS 127 CO 0.03 -0.01 0.56 -1.35 -2.27 0.00 0.00 179.45 176.40 3dd3 h PRO 128 N -0.02 0.38 -0.17 1.90 0.11 -1.79 0.45 132.00 132.86 3dd3 h PRO 128 Ca 0.37 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 66.25 3dd3 h PRO 128 Cb 0.62 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.65 3dd3 h PRO 128 CO -0.94 0.25 -0.68 0.74 -0.21 0.00 0.00 178.00 177.15 3dd3 h PHE 129 N 0.39 1.01 -0.55 0.65 0.04 -1.59 0.29 116.94 117.19 3dd3 h PHE 129 Ca 0.70 -0.43 0.05 0.00 2.80 0.00 0.00 57.97 61.09 3dd3 h PHE 129 Cb 1.52 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 39.46 3dd3 h PHE 129 CO -0.02 1.25 0.28 1.49 -0.60 0.00 0.00 178.31 180.71 3dd3 h GLU 130 N 0.48 0.52 0.25 1.51 4.57 -1.11 -2.03 114.58 118.77 3dd3 h GLU 130 Ca -0.04 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3dd3 h GLU 130 Cb 1.31 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 3dd3 h GLU 130 CO 0.14 0.34 -0.25 1.15 -1.18 0.00 0.00 179.01 179.21 3dd3 h THR 131 N 0.53 0.46 -0.42 0.32 2.02 -0.84 0.25 112.91 115.24 3dd3 h THR 131 Ca 0.24 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.50 3dd3 h THR 131 Cb 0.16 0.46 -0.09 0.00 -1.74 0.00 0.00 68.15 66.93 3dd3 h THR 131 CO -0.17 0.00 -0.37 -0.07 0.37 0.00 0.00 175.52 175.28 3dd3 h LEU 132 N -0.53 -1.24 -0.45 2.58 3.38 -0.77 -1.84 115.31 116.44 3dd3 h LEU 132 Ca -0.00 0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.22 3dd3 h LEU 132 Cb 0.50 0.57 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 3dd3 h LEU 132 CO -0.06 -0.34 0.18 -0.07 0.09 0.00 0.00 178.44 178.24 3dd3 h LEU 133 N -0.28 0.22 -2.07 1.67 3.38 -1.25 -2.43 115.31 114.55 3dd3 h LEU 133 Ca 0.16 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.26 3dd3 h LEU 133 Cb 0.56 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3dd3 h LEU 133 CO -0.57 0.16 0.25 0.77 0.09 0.00 0.00 178.44 179.14 3dd3 h SER 134 N 0.37 0.00 -0.00 -0.43 4.64 -0.39 -0.18 113.55 117.55 3dd3 h SER 134 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3dd3 h SER 134 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3dd3 h SER 134 CO -0.19 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.73 3dd3 n GLN 135 N -4.19 1.81 -3.82 4.77 6.02 -0.74 -3.96 117.38 117.27 3dd3 n GLN 135 Ca 0.04 -1.26 -0.33 0.00 -0.01 0.00 0.00 57.00 55.44 3dd3 n GLN 135 Cb 0.41 -1.47 -0.11 0.00 1.02 0.00 0.00 30.24 30.08 3dd3 n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3dd3 s ASN 136 N -2.06 4.83 -1.33 1.08 2.47 -0.21 -4.82 114.94 114.90 3dd3 s ASN 136 Ca 0.33 -2.98 -0.10 0.00 0.42 0.00 0.00 52.86 50.53 3dd3 s ASN 136 Cb 0.20 -1.76 0.00 0.00 -1.45 0.00 0.00 41.25 38.25 3dd3 s ASN 136 CO 0.35 -0.29 0.50 0.00 -3.72 0.00 0.00 177.10 173.93 3dd3 n GLN 137 N 3.24 -2.14 -1.35 0.43 6.02 -1.26 -2.04 117.38 120.28 3dd3 n GLN 137 Ca 0.07 0.34 -0.13 0.00 -0.01 0.00 0.00 57.00 57.27 3dd3 n GLN 137 Cb 0.35 -4.08 -0.06 0.00 1.02 0.00 0.00 30.24 27.48 3dd3 n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dd3 n GLY 138 N -1.99 1.26 2.02 1.08 0.00 -1.25 -1.58 105.19 104.73 3dd3 n GLY 138 Ca -0.23 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.78 3dd3 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dd3 n GLY 139 N 0.01 0.45 0.30 -0.02 0.00 -0.42 -4.81 105.19 100.70 3dd3 n GLY 139 Ca -0.13 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.26 3dd3 n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dd3 n LYS 140 N -2.95 1.08 0.00 1.61 5.02 -0.62 -4.74 118.16 117.57 3dd3 n LYS 140 Ca -0.00 -0.61 0.00 0.00 -2.02 0.00 0.00 58.31 55.67 3dd3 n LYS 140 Cb 0.02 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 3dd3 n LYS 140 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3dd3 n THR 141 N -0.42 0.00 -4.52 -0.18 -2.24 -1.26 -5.13 114.28 100.52 3dd3 n THR 141 Ca 0.15 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.67 3dd3 n THR 141 Cb 0.34 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.49 3dd3 n THR 141 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3dd3 s PHE 142 N 1.37 1.83 0.46 4.78 0.08 -1.26 -5.01 117.98 120.23 3dd3 s PHE 142 Ca 0.00 -1.18 0.29 0.00 0.12 0.00 0.00 56.93 56.15 3dd3 s PHE 142 Cb 0.00 -1.22 1.58 0.00 -0.57 0.00 0.00 43.02 42.81 3dd3 s PHE 142 CO 0.00 -0.19 2.13 0.97 -0.10 0.00 0.00 175.22 178.03 3dd3 h ILE 143 N 1.83 0.53 -2.34 0.64 6.09 -1.97 -3.42 117.51 118.87 3dd3 h ILE 143 Ca -0.37 -0.37 -0.04 0.00 -1.37 0.00 0.00 64.86 62.70 3dd3 h ILE 143 Cb 1.27 1.24 -0.25 0.00 0.47 0.00 0.00 36.82 39.56 3dd3 h ILE 143 CO 0.61 0.08 -0.25 -0.69 -3.07 0.00 0.00 178.15 174.83 3dd3 s VAL 144 N -4.30 -0.58 0.00 2.19 1.01 -1.26 -4.56 120.40 112.89 3dd3 s VAL 144 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3dd3 s VAL 144 Cb 0.14 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3dd3 s VAL 144 CO 0.57 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.32 3dd3 n GLY 145 N 5.12 0.62 0.36 4.51 0.00 -1.26 -4.31 105.19 110.23 3dd3 n GLY 145 Ca -0.13 -0.85 0.04 0.00 0.00 0.00 0.00 46.02 45.07 3dd3 n GLY 145 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dd3 n ASP 146 N -2.50 2.16 -4.36 1.61 8.00 -1.26 -4.01 116.55 116.19 3dd3 n ASP 146 Ca 0.00 -1.70 -0.23 0.00 0.71 0.00 0.00 54.79 53.57 3dd3 n ASP 146 Cb 0.00 -0.08 -0.11 0.00 -0.02 0.00 0.00 41.12 40.90 3dd3 n ASP 146 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3dd3 s GLN 147 N -0.82 1.34 0.41 -1.24 -0.21 -1.26 -4.86 119.66 113.02 3dd3 s GLN 147 Ca 0.12 -1.44 -0.24 0.00 0.02 0.00 0.00 55.36 53.82 3dd3 s GLN 147 Cb 0.07 -1.46 -0.09 0.00 1.00 0.00 0.00 33.01 32.54 3dd3 s GLN 147 CO 0.10 0.30 1.08 -1.50 -2.12 0.00 0.00 175.29 173.15 3dd3 s ILE 148 N -1.96 3.55 0.40 1.08 2.07 -1.26 -4.77 121.20 120.31 3dd3 s ILE 148 Ca 0.17 1.18 0.03 0.00 -1.41 0.00 0.00 60.65 60.63 3dd3 s ILE 148 Cb -0.06 -3.61 -0.03 0.00 0.13 0.00 0.00 42.46 38.89 3dd3 s ILE 148 CO 0.07 0.00 0.10 -0.94 -1.91 0.00 0.00 174.94 172.26 3dd3 s SER 149 N -1.50 2.84 0.48 4.50 1.04 -1.26 -4.62 113.70 115.17 3dd3 s SER 149 Ca 0.59 -1.60 0.27 0.00 0.48 0.00 0.00 55.95 55.69 3dd3 s SER 149 Cb -0.24 0.37 0.99 0.00 0.10 0.00 0.00 66.02 67.24 3dd3 s SER 149 CO 0.30 -0.85 1.85 2.19 0.98 0.00 0.00 173.24 177.71 3dd3 h PHE 150 N 1.82 0.00 0.00 5.02 -5.15 -1.61 -2.05 116.94 114.96 3dd3 h PHE 150 Ca -0.38 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.30 3dd3 h PHE 150 Cb 1.27 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.43 3dd3 h PHE 150 CO 1.28 0.13 -0.45 0.00 -2.00 0.00 0.00 178.31 177.27 3dd3 h ALA 151 N 1.87 1.06 -0.61 12.09 0.00 -1.87 -2.86 119.26 128.95 3dd3 h ALA 151 Ca -0.00 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.53 3dd3 h ALA 151 Cb 0.71 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3dd3 h ALA 151 CO 0.02 0.56 0.36 -0.44 0.00 0.00 0.00 179.25 179.75 3dd3 h ASP 152 N 0.00 0.57 -0.11 0.00 3.32 -1.77 0.18 116.42 118.61 3dd3 h ASP 152 Ca -0.00 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3dd3 h ASP 152 Cb 0.91 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 3dd3 h ASP 152 CO 0.06 0.39 -0.26 1.88 -1.72 0.00 0.00 179.24 179.59 3dd3 h TYR 153 N 0.70 0.64 0.14 4.55 0.05 -1.57 0.48 116.97 121.96 3dd3 h TYR 153 Ca 0.25 -0.14 -0.23 0.00 0.05 0.00 0.00 58.73 58.66 3dd3 h TYR 153 Cb 0.06 -0.15 0.03 0.00 1.01 0.00 0.00 36.73 37.68 3dd3 h TYR 153 CO -0.06 0.78 -0.99 -0.97 -1.05 0.00 0.00 178.16 175.86 3dd3 h ASN 154 N 0.50 0.63 -0.01 3.88 -1.24 -1.33 0.07 115.58 118.07 3dd3 h ASN 154 Ca 0.07 -0.89 0.01 0.00 0.71 0.00 0.00 56.30 56.20 3dd3 h ASN 154 Cb 0.71 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 3dd3 h ASN 154 CO 0.05 1.47 -0.05 0.25 -1.29 0.00 0.00 177.43 177.87 3dd3 h LEU 155 N -0.10 -0.13 -0.32 0.34 5.85 -0.63 -1.38 115.31 118.94 3dd3 h LEU 155 Ca -0.16 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.65 3dd3 h LEU 155 Cb 1.74 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.77 3dd3 h LEU 155 CO 0.19 -0.07 -0.09 0.25 -0.34 0.00 0.00 178.44 178.38 3dd3 h LEU 156 N -0.07 -0.34 -0.34 2.25 5.85 0.05 0.17 115.31 122.88 3dd3 h LEU 156 Ca 0.02 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.92 3dd3 h LEU 156 Cb 0.11 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 3dd3 h LEU 156 CO -0.06 -0.12 -0.12 -0.78 -0.34 0.00 0.00 178.44 177.02 3dd3 h ASP 157 N -0.02 -0.41 -0.99 1.25 3.58 -0.82 -1.67 116.42 117.34 3dd3 h ASP 157 Ca 0.16 0.11 0.06 0.00 0.42 0.00 0.00 57.03 57.77 3dd3 h ASP 157 Cb 0.26 0.25 -0.06 0.00 1.72 0.00 0.00 39.33 41.49 3dd3 h ASP 157 CO -0.34 -0.15 0.64 0.25 -2.88 0.00 0.00 179.24 176.77 3dd3 h LEU 158 N -0.05 1.04 -0.36 2.28 5.85 -0.69 -0.72 115.31 122.66 3dd3 h LEU 158 Ca 0.17 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3dd3 h LEU 158 Cb 0.30 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3dd3 h LEU 158 CO -0.37 0.68 0.19 -0.07 -0.34 0.00 0.00 178.44 178.53 3dd3 h LEU 159 N 1.19 0.46 -0.30 2.25 3.38 -0.32 -2.44 115.31 119.53 3dd3 h LEU 159 Ca 0.42 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 3dd3 h LEU 159 Cb 0.12 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3dd3 h LEU 159 CO -0.16 0.43 0.08 -0.07 0.09 0.00 0.00 178.44 178.81 3dd3 h LEU 160 N 0.45 0.46 -2.10 1.67 3.38 -0.42 -1.69 115.31 117.07 3dd3 h LEU 160 Ca 0.13 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3dd3 h LEU 160 Cb 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3dd3 h LEU 160 CO -0.02 0.56 -0.00 0.16 0.09 0.00 0.00 178.44 179.23 3dd3 h ILE 161 N 0.33 0.00 0.02 1.22 3.07 -1.19 -2.55 117.51 118.41 3dd3 h ILE 161 Ca 0.10 -0.30 -0.25 0.00 1.55 0.00 0.00 64.86 65.95 3dd3 h ILE 161 Cb 0.28 1.30 -0.03 0.00 -0.27 0.00 0.00 36.82 38.09 3dd3 h ILE 161 CO -0.00 0.00 -1.34 0.45 -1.05 0.00 0.00 178.15 176.21 3dd3 h HIS 162 N 0.00 0.07 0.00 0.16 3.86 -0.89 -2.73 115.15 115.61 3dd3 h HIS 162 Ca -0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3dd3 h HIS 162 Cb 0.30 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 3dd3 h HIS 162 CO 0.00 1.06 0.00 0.93 0.86 0.00 0.00 177.93 180.78 3dd3 h GLU 163 N 0.01 0.00 0.04 2.45 5.08 -0.93 -1.42 114.58 119.81 3dd3 h GLU 163 Ca -0.15 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 3dd3 h GLU 163 Cb 1.90 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.15 3dd3 h GLU 163 CO 0.12 0.00 -0.26 0.28 -1.00 0.00 0.00 179.01 178.15 3dd3 h VAL 164 N 0.00 1.67 -0.84 3.13 2.07 -1.45 -2.13 116.25 118.71 3dd3 h VAL 164 Ca 0.00 -2.30 0.06 0.00 0.82 0.00 0.00 66.70 65.28 3dd3 h VAL 164 Cb 0.43 3.21 -0.05 0.00 -1.52 0.00 0.00 31.29 33.35 3dd3 h VAL 164 CO 0.00 0.62 0.55 0.25 0.02 0.00 0.00 177.57 179.01 3dd3 h LEU 165 N -0.74 0.84 -5.84 2.57 5.85 -1.32 -3.37 115.31 113.30 3dd3 h LEU 165 Ca -0.04 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.41 3dd3 h LEU 165 Cb 1.16 -0.18 -0.25 0.00 0.37 0.00 0.00 40.66 41.76 3dd3 h LEU 165 CO 0.05 0.55 -0.62 0.00 -0.34 0.00 0.00 178.44 178.08 3dd3 s ALA 166 N -5.84 -1.10 0.53 1.25 0.00 -0.55 -5.10 121.76 110.95 3dd3 s ALA 166 Ca -0.11 -0.78 -0.21 0.00 0.00 0.00 0.00 51.96 50.85 3dd3 s ALA 166 Cb 0.19 -2.35 -0.06 0.00 0.00 0.00 0.00 23.12 20.91 3dd3 s ALA 166 CO 0.79 -2.17 1.17 -2.30 0.00 0.00 0.00 175.76 173.25 3dd3 n PRO 167 N 3.62 1.39 -0.49 0.00 -0.02 -0.80 -2.24 135.00 136.46 3dd3 n PRO 167 Ca 0.17 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3dd3 n PRO 167 Cb 0.52 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3dd3 n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dd3 n GLY 168 N 1.01 1.32 0.20 -1.23 0.00 -1.26 -4.94 105.19 100.28 3dd3 n GLY 168 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 3dd3 n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dd3 n LEU 170 N -2.48 1.15 -0.28 0.00 4.77 -1.26 -4.53 117.00 114.37 3dd3 n LEU 170 Ca -0.01 -0.48 0.10 0.00 -0.03 0.00 0.00 56.01 55.59 3dd3 n LEU 170 Cb 0.11 -0.04 0.24 0.00 -2.33 0.00 0.00 43.42 41.40 3dd3 n LEU 170 CO 0.16 0.26 0.92 0.44 -1.33 0.00 0.00 177.39 177.83 3dd3 h ASP 171 N 0.56 -0.05 0.00 -1.43 5.19 -1.79 0.12 116.42 119.02 3dd3 h ASP 171 Ca 0.00 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3dd3 h ASP 171 Cb 0.55 0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.32 3dd3 h ASP 171 CO 0.00 -0.12 0.00 0.00 -3.12 0.00 0.00 179.24 176.00 3dd3 n ALA 172 N -2.74 2.34 -3.71 3.45 0.00 -1.26 -4.52 120.51 114.07 3dd3 n ALA 172 Ca 0.18 -0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 3dd3 n ALA 172 Cb 0.59 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 3dd3 n ALA 172 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3dd3 s PHE 173 N -2.00 1.82 0.24 0.00 0.08 0.40 -5.00 117.98 113.52 3dd3 s PHE 173 Ca 0.33 -2.10 0.14 0.00 0.12 0.00 0.00 56.93 55.42 3dd3 s PHE 173 Cb 0.15 -1.77 0.52 0.00 -0.57 0.00 0.00 43.02 41.35 3dd3 s PHE 173 CO 0.25 -0.83 1.68 -1.00 -0.10 0.00 0.00 175.22 175.22 3dd3 h PRO 174 N 7.32 0.00 0.02 0.24 0.13 -1.79 -2.09 132.00 135.83 3dd3 h PRO 174 Ca -0.06 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.86 3dd3 h PRO 174 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 3dd3 h PRO 174 CO 0.46 0.50 -0.96 -0.07 -0.23 0.00 0.00 178.00 177.70 3dd3 h LEU 175 N 0.00 0.30 -0.05 1.56 3.38 -1.93 -2.49 115.31 116.08 3dd3 h LEU 175 Ca -0.00 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 3dd3 h LEU 175 Cb 0.98 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3dd3 h LEU 175 CO 0.06 1.10 -0.14 -0.07 0.09 0.00 0.00 178.44 179.49 3dd3 h LEU 176 N 0.11 0.21 -0.50 1.67 3.38 -1.86 -0.94 115.31 117.38 3dd3 h LEU 176 Ca -0.06 -0.60 0.10 0.00 0.09 0.00 0.00 57.88 57.41 3dd3 h LEU 176 Cb 1.62 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 42.22 3dd3 h LEU 176 CO 0.15 0.77 -0.08 0.28 0.09 0.00 0.00 178.44 179.65 3dd3 h SER 177 N -0.35 -0.38 -0.04 -0.43 0.02 -1.46 0.18 113.55 111.09 3dd3 h SER 177 Ca -0.00 0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 3dd3 h SER 177 Cb 0.75 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 3dd3 h SER 177 CO 0.03 -0.14 -0.33 0.00 -1.14 0.00 0.00 176.83 175.25 3dd3 h ALA 178 N 1.48 0.97 -0.34 3.77 0.00 -1.38 -2.50 119.26 121.27 3dd3 h ALA 178 Ca 0.24 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3dd3 h ALA 178 Cb 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3dd3 h ALA 178 CO -0.48 0.61 -0.02 -0.92 0.00 0.00 0.00 179.25 178.44 3dd3 h TYR 179 N 0.44 0.67 -0.45 0.00 3.20 -0.42 0.25 116.97 120.67 3dd3 h TYR 179 Ca 0.05 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 3dd3 h TYR 179 Cb 0.79 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 3dd3 h TYR 179 CO 0.03 0.74 0.16 0.28 -1.64 0.00 0.00 178.16 177.73 3dd3 h VAL 180 N 0.41 1.18 0.12 1.81 2.07 -0.49 -1.83 116.25 119.52 3dd3 h VAL 180 Ca 0.09 -0.57 -0.27 0.00 0.82 0.00 0.00 66.70 66.77 3dd3 h VAL 180 Cb 0.48 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3dd3 h VAL 180 CO 0.02 0.22 -1.22 1.23 0.02 0.00 0.00 177.57 177.84 3dd3 h GLY 181 N 0.81 0.31 0.80 2.17 0.00 -1.25 -2.59 103.07 103.33 3dd3 h GLY 181 Ca 0.15 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 3dd3 h GLY 181 CO -0.01 0.68 -0.12 -0.09 0.00 0.00 0.00 176.54 177.00 3dd3 h ARG 182 N 0.08 -0.32 -0.50 4.80 2.43 -0.66 -2.80 114.38 117.40 3dd3 h ARG 182 Ca -0.13 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 58.94 3dd3 h ARG 182 Cb 1.95 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.55 3dd3 h ARG 182 CO 0.20 -0.08 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.35 3dd3 h LEU 183 N -0.54 1.00 -1.97 3.80 4.07 -1.48 -2.78 115.31 117.41 3dd3 h LEU 183 Ca -0.03 -0.35 0.19 0.00 0.08 0.00 0.00 57.88 57.76 3dd3 h LEU 183 Cb 0.40 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 3dd3 h LEU 183 CO 0.06 1.14 0.49 0.28 -1.08 0.00 0.00 178.44 179.32 3dd3 h SER 184 N 0.86 0.03 0.12 -0.43 0.02 -1.51 -2.43 113.55 110.21 3dd3 h SER 184 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3dd3 h SER 184 Cb 0.73 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 3dd3 h SER 184 CO 0.06 0.01 -0.12 0.00 -1.14 0.00 0.00 176.83 175.64 3dd3 n ALA 185 N -2.66 2.82 -1.81 3.77 0.00 -1.05 -3.38 120.51 118.20 3dd3 n ALA 185 Ca 0.13 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 3dd3 n ALA 185 Cb 0.73 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 3dd3 n ALA 185 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dd3 s ARG 186 N -2.26 4.16 0.15 0.00 0.52 -0.92 -4.82 118.95 115.79 3dd3 s ARG 186 Ca 0.31 2.48 -0.18 0.00 -0.52 0.00 0.00 55.73 57.82 3dd3 s ARG 186 Cb 0.20 -3.63 0.05 0.00 0.52 0.00 0.00 34.95 32.09 3dd3 s ARG 186 CO 0.43 -0.80 1.69 -1.35 0.02 0.00 0.00 175.30 175.28 3dd3 h PRO 187 N 8.60 0.03 -0.30 3.54 0.11 -1.90 0.11 132.00 142.19 3dd3 h PRO 187 Ca -0.45 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 3dd3 h PRO 187 Cb 1.21 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3dd3 h PRO 187 CO 0.94 0.02 -0.29 0.87 -0.21 0.00 0.00 178.00 179.33 3dd3 h LYS 188 N 0.03 0.62 -0.32 1.05 1.57 -1.89 -2.49 116.57 115.14 3dd3 h LYS 188 Ca 0.15 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 3dd3 h LYS 188 Cb 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3dd3 h LYS 188 CO -0.31 0.84 0.05 1.25 -0.57 0.00 0.00 179.45 180.72 3dd3 h LEU 189 N 0.54 0.50 -0.40 2.94 5.85 -1.51 -1.74 115.31 121.48 3dd3 h LEU 189 Ca 0.07 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.57 3dd3 h LEU 189 Cb 0.77 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 3dd3 h LEU 189 CO 0.06 0.63 0.17 0.50 -0.34 0.00 0.00 178.44 179.47 3dd3 h LYS 190 N 0.35 0.35 -0.59 1.25 3.64 -0.71 0.13 116.57 120.99 3dd3 h LYS 190 Ca 0.10 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3dd3 h LYS 190 Cb 0.34 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3dd3 h LYS 190 CO 0.01 0.23 0.25 0.00 -2.27 0.00 0.00 179.45 177.66 3dd3 h ALA 191 N 1.23 0.77 -0.53 5.00 0.00 -1.45 -1.63 119.26 122.66 3dd3 h ALA 191 Ca 0.18 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3dd3 h ALA 191 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3dd3 h ALA 191 CO -0.15 0.37 -0.01 0.35 0.00 0.00 0.00 179.25 179.81 3dd3 h PHE 192 N 0.82 1.03 0.00 0.00 3.57 -0.80 -0.97 116.94 120.59 3dd3 h PHE 192 Ca 0.20 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3dd3 h PHE 192 Cb 0.19 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.66 3dd3 h PHE 192 CO 0.01 0.95 0.00 -0.07 -2.23 0.00 0.00 178.31 176.97 3dd3 h LEU 193 N 0.81 0.00 0.00 0.59 3.38 -0.63 -2.29 115.31 117.17 3dd3 h LEU 193 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3dd3 h LEU 193 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3dd3 h LEU 193 CO 0.03 0.00 -1.26 0.00 0.09 0.00 0.00 178.44 177.30 3dd3 n ALA 194 N -1.90 3.03 -1.77 1.53 0.00 -0.62 -4.59 120.51 116.18 3dd3 n ALA 194 Ca 0.01 -0.39 -0.35 0.00 0.00 0.00 0.00 53.44 52.71 3dd3 n ALA 194 Cb 0.23 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 18.73 3dd3 n ALA 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dd3 s SER 195 N -4.47 5.64 0.47 0.00 1.04 -0.42 -4.80 113.70 111.16 3dd3 s SER 195 Ca -0.00 2.23 0.13 0.00 0.48 0.00 0.00 55.95 58.78 3dd3 s SER 195 Cb 0.13 -2.59 1.09 0.00 0.10 0.00 0.00 66.02 64.76 3dd3 s SER 195 CO 0.83 -1.28 2.10 -0.65 0.98 0.00 0.00 173.24 175.22 3dd3 h PRO 196 N 1.19 0.24 -0.08 4.02 0.11 -1.92 -0.32 132.00 135.25 3dd3 h PRO 196 Ca -0.50 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3dd3 h PRO 196 Cb 1.27 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dd3 h PRO 196 CO 0.57 0.16 0.07 1.49 -0.21 0.00 0.00 178.00 180.07 3dd3 h GLU 197 N 0.25 0.00 0.00 1.05 4.81 -1.92 0.16 114.58 118.93 3dd3 h GLU 197 Ca 0.09 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.02 3dd3 h GLU 197 Cb 0.04 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 3dd3 h GLU 197 CO -0.02 0.00 -1.95 0.98 -0.73 0.00 0.00 179.01 177.29 3dd3 n TYR 198 N -4.32 0.06 -0.10 0.92 9.36 -0.77 -4.51 117.16 117.79 3dd3 n TYR 198 Ca -0.01 0.02 0.07 0.00 3.32 0.00 0.00 57.90 61.30 3dd3 n TYR 198 Cb 0.17 -0.83 0.40 0.00 -0.63 0.00 0.00 39.34 38.46 3dd3 n TYR 198 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3dd3 h VAL 199 N -1.00 1.03 -0.60 2.97 2.07 -1.00 -2.81 116.25 116.91 3dd3 h VAL 199 Ca -0.44 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3dd3 h VAL 199 Cb 1.38 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3dd3 h VAL 199 CO -0.27 0.11 0.00 0.59 0.02 0.00 0.00 177.57 178.03 3dd3 n ASN 200 N -4.47 3.75 -4.77 0.57 3.02 0.55 -4.81 115.26 109.11 3dd3 n ASN 200 Ca 0.08 -2.18 -0.36 0.00 -0.03 0.00 0.00 54.58 52.10 3dd3 n ASN 200 Cb 0.19 -0.48 -0.08 0.00 -0.61 0.00 0.00 39.78 38.81 3dd3 n ASN 200 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dd3 s LEU 201 N -1.30 4.15 0.57 3.41 1.43 -1.06 -5.04 118.68 120.84 3dd3 s LEU 201 Ca 0.43 0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 53.62 3dd3 s LEU 201 Cb 0.25 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3dd3 s LEU 201 CO 0.25 0.29 1.27 -2.16 0.23 0.00 0.00 176.35 176.23 3dd3 s PRO 202 N -0.31 3.05 0.06 1.29 0.04 -1.26 -4.72 135.00 133.15 3dd3 s PRO 202 Ca 0.10 2.00 -0.26 0.00 0.04 0.00 0.00 61.00 62.88 3dd3 s PRO 202 Cb -0.12 -2.08 -0.17 0.00 0.04 0.00 0.00 34.50 32.17 3dd3 s PRO 202 CO 0.01 -1.19 1.56 0.82 0.04 0.00 0.00 177.00 178.24 3dd3 h ILE 203 N 1.14 0.82 -1.35 0.56 2.04 -1.95 -0.49 117.51 118.27 3dd3 h ILE 203 Ca -0.51 -0.25 -0.63 0.00 1.00 0.00 0.00 64.86 64.47 3dd3 h ILE 203 Cb 1.30 0.96 -0.13 0.00 -0.74 0.00 0.00 36.82 38.21 3dd3 h ILE 203 CO 0.56 0.06 -0.57 0.20 0.00 0.00 0.00 178.15 178.39 3dd3 s ASN 204 N -5.03 3.85 0.08 1.72 0.01 -1.26 -1.64 114.94 112.67 3dd3 s ASN 204 Ca -0.15 -1.46 -0.00 0.00 -0.71 0.00 0.00 52.86 50.54 3dd3 s ASN 204 Cb 0.04 -0.08 -0.26 0.00 0.41 0.00 0.00 41.25 41.36 3dd3 s ASN 204 CO 0.63 -0.59 1.14 1.23 -1.51 0.00 0.00 177.10 178.00 3dd3 h GLY 205 N 1.66 0.20 -1.88 0.66 0.00 -1.91 -3.28 103.07 98.53 3dd3 h GLY 205 Ca -0.44 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.38 3dd3 h GLY 205 CO 0.78 0.45 0.00 1.16 0.00 0.00 0.00 176.54 178.93 3dd3 n ASN 206 N -3.45 2.69 -3.09 0.19 6.94 -1.26 -4.90 115.26 112.38 3dd3 n ASN 206 Ca -0.07 -2.31 -0.21 0.00 -0.02 0.00 0.00 54.58 51.97 3dd3 n ASN 206 Cb 1.00 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 3dd3 n ASN 206 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dd3 n GLY 207 N 0.35 -0.50 3.22 4.83 0.00 -1.24 -4.99 105.19 106.87 3dd3 n GLY 207 Ca 0.11 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3dd3 n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dd3 s LYS 208 N -5.73 3.04 0.00 1.61 1.02 -1.26 -5.04 119.74 113.38 3dd3 s LYS 208 Ca 0.29 -0.83 0.03 0.00 0.02 0.00 0.00 55.97 55.48 3dd3 s LYS 208 Cb -0.15 -2.92 0.02 0.00 -0.52 0.00 0.00 37.83 34.26 3dd3 s LYS 208 CO 0.36 -0.30 0.60 0.00 -0.92 0.00 0.00 175.35 175.09