#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5a s ARG 3 N 0.00 3.08 0.00 0.00 0.52 -1.26 -4.30 118.95 116.99 3d5a s ARG 3 Ca 0.00 -1.18 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 3d5a s ARG 3 Cb 0.00 -5.30 0.00 0.00 0.52 0.00 0.00 34.95 30.17 3d5a s ARG 3 CO 0.00 -3.10 0.00 -0.89 0.02 0.00 0.00 175.30 171.33 3d5a n ILE 4 N 7.30 0.00 -1.73 1.52 2.08 0.25 -4.17 119.36 124.61 3d5a n ILE 4 Ca 0.43 0.37 -0.39 0.00 0.56 0.00 0.00 62.75 63.72 3d5a n ILE 4 Cb 0.47 -1.20 -0.04 0.00 -0.75 0.00 0.00 39.64 38.13 3d5a n ILE 4 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3d5a n ALA 5 N -3.00 3.40 -0.47 -1.39 0.00 -1.24 -4.72 120.51 113.09 3d5a n ALA 5 Ca 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 53.44 50.00 3d5a n ALA 5 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 15.88 3d5a n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d5a n GLY 6 N 4.91 1.41 0.07 0.00 0.00 -1.26 -3.05 105.19 107.27 3d5a n GLY 6 Ca 0.49 0.37 -0.07 0.00 0.00 0.00 0.00 46.02 46.81 3d5a n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d5a n VAL 7 N 0.00 0.98 -1.90 1.61 0.31 -1.26 -4.85 118.33 113.23 3d5a n VAL 7 Ca 0.00 -0.60 -0.42 0.00 -0.01 0.00 0.00 64.34 63.31 3d5a n VAL 7 Cb 0.00 -0.63 -0.03 0.00 -0.91 0.00 0.00 33.84 32.27 3d5a n VAL 7 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3d5a s GLU 8 N -2.35 4.20 -0.55 5.55 2.02 -1.17 -4.81 118.70 121.59 3d5a s GLU 8 Ca -0.08 2.40 0.05 0.00 0.02 0.00 0.00 54.97 57.37 3d5a s GLU 8 Cb 0.04 -3.16 0.19 0.00 0.10 0.00 0.00 34.13 31.31 3d5a s GLU 8 CO 0.58 -0.64 0.48 -0.89 0.02 0.00 0.00 175.26 174.81 3d5a n ILE 9 N 4.00 0.36 -1.57 -1.63 5.41 -1.26 -0.58 119.36 124.09 3d5a n ILE 9 Ca 0.14 -4.27 -0.39 0.00 1.00 0.00 0.00 62.75 59.23 3d5a n ILE 9 Cb 0.38 -1.95 -0.05 0.00 -0.71 0.00 0.00 39.64 37.32 3d5a n ILE 9 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3d5a n PRO 10 N 2.06 1.84 -2.18 0.38 -0.04 -1.26 -4.82 135.00 130.97 3d5a n PRO 10 Ca 0.25 -2.21 -0.28 0.00 -0.04 0.00 0.00 63.50 61.21 3d5a n PRO 10 Cb 0.43 -3.21 0.03 0.00 -0.04 0.00 0.00 33.50 30.71 3d5a n PRO 10 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3d5a s ARG 11 N 5.07 3.05 -1.24 0.54 0.52 -1.26 -4.58 118.95 121.05 3d5a s ARG 11 Ca 0.59 0.27 -0.15 0.00 -0.52 0.00 0.00 55.73 55.92 3d5a s ARG 11 Cb 0.10 -2.17 -0.00 0.00 0.52 0.00 0.00 34.95 33.40 3d5a s ARG 11 CO 0.09 -0.75 0.65 0.09 0.02 0.00 0.00 175.30 175.40 3d5a n ASN 12 N -2.72 -3.39 -3.65 0.23 3.02 -1.26 -4.95 115.26 102.54 3d5a n ASN 12 Ca 0.05 -1.04 0.01 0.00 -0.03 0.00 0.00 54.58 53.57 3d5a n ASN 12 Cb 0.57 -3.10 -0.00 0.00 -0.61 0.00 0.00 39.78 36.63 3d5a n ASN 12 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3d5a s LYS 13 N -6.32 0.60 -0.03 3.52 2.20 -1.26 -4.97 119.74 113.47 3d5a s LYS 13 Ca 0.31 -0.35 -0.40 0.00 -0.36 0.00 0.00 55.97 55.17 3d5a s LYS 13 Cb -0.12 0.20 -0.19 0.00 -1.51 0.00 0.00 37.83 36.21 3d5a s LYS 13 CO 0.88 -0.28 1.24 0.54 -0.36 0.00 0.00 175.35 177.37 3d5a n ARG 14 N -0.56 0.42 -0.10 4.03 5.12 -1.26 -2.97 116.66 121.33 3d5a n ARG 14 Ca -0.06 0.15 -0.07 0.00 -1.93 0.00 0.00 57.85 55.94 3d5a n ARG 14 Cb 0.62 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 3d5a n ARG 14 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 3d5a h VAL 15 N 3.41 1.00 0.86 1.55 -1.51 -1.57 0.23 116.25 120.22 3d5a h VAL 15 Ca -0.49 -0.13 -0.04 0.00 -1.23 0.00 0.00 66.70 64.81 3d5a h VAL 15 Cb 1.39 0.59 0.01 0.00 -2.13 0.00 0.00 31.29 31.15 3d5a h VAL 15 CO 0.74 0.07 -0.41 -2.24 -1.23 0.00 0.00 177.57 174.49 3d5a h ASP 16 N 0.38 -0.98 0.02 4.19 -0.00 -1.88 -3.01 116.42 115.13 3d5a h ASP 16 Ca 0.14 0.03 -0.00 0.00 -0.00 0.00 0.00 57.03 57.21 3d5a h ASP 16 Cb 0.04 0.25 -0.00 0.00 -0.00 0.00 0.00 39.33 39.62 3d5a h ASP 16 CO -0.09 -0.68 -0.01 0.58 -0.00 0.00 0.00 179.24 179.04 3d5a h VAL 17 N -1.21 0.64 -0.79 4.15 2.07 -1.89 -1.26 116.25 117.97 3d5a h VAL 17 Ca -0.12 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3d5a h VAL 17 Cb 0.89 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 3d5a h VAL 17 CO 0.19 0.01 0.52 0.00 0.02 0.00 0.00 177.57 178.32 3d5a h ALA 18 N 1.99 1.47 0.00 1.67 0.00 -0.81 -1.36 119.26 122.21 3d5a h ALA 18 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3d5a h ALA 18 Cb 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3d5a h ALA 18 CO 0.00 0.48 -0.16 -0.07 0.00 0.00 0.00 179.25 179.50 3d5a h LEU 19 N 1.03 0.00 -1.40 0.00 -0.00 -1.16 -2.64 115.31 111.14 3d5a h LEU 19 Ca 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 58.18 3d5a h LEU 19 Cb -0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.56 3d5a h LEU 19 CO -0.07 0.16 0.41 0.74 -0.00 0.00 0.00 178.44 179.67 3d5a h THR 20 N 0.00 1.16 -0.19 0.22 2.02 -1.27 0.17 112.91 115.02 3d5a h THR 20 Ca -0.00 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 3d5a h THR 20 Cb 0.66 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3d5a h THR 20 CO 0.02 0.15 -0.06 1.88 0.37 0.00 0.00 175.52 177.88 3d5a h TYR 21 N 0.83 0.29 -2.39 3.16 -1.99 -1.50 -3.41 116.97 111.97 3d5a h TYR 21 Ca 0.22 -0.02 -0.53 0.00 2.00 0.00 0.00 58.73 60.40 3d5a h TYR 21 Cb -0.09 -0.09 0.03 0.00 2.00 0.00 0.00 36.73 38.58 3d5a h TYR 21 CO 0.00 0.36 1.18 -0.89 -0.00 0.00 0.00 178.16 178.81 3d5a n ILE 22 N -4.32 0.61 -1.82 -2.88 2.08 0.05 -4.90 119.36 108.18 3d5a n ILE 22 Ca -0.00 -0.11 -0.42 0.00 0.56 0.00 0.00 62.75 62.78 3d5a n ILE 22 Cb 0.23 -2.22 -0.03 0.00 -0.75 0.00 0.00 39.64 36.87 3d5a n ILE 22 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 3d5a s TYR 23 N 3.77 2.58 0.00 1.39 6.14 -1.26 -0.56 117.35 129.41 3d5a s TYR 23 Ca 0.86 0.28 0.00 0.00 0.64 0.00 0.00 57.07 58.86 3d5a s TYR 23 Cb -0.47 -4.06 0.00 0.00 0.42 0.00 0.00 41.96 37.85 3d5a s TYR 23 CO 0.41 -4.19 0.00 0.41 0.64 0.00 0.00 175.55 172.82 3d5a n GLY 24 N 4.02 0.83 3.09 8.97 0.00 -1.26 -2.08 105.19 118.76 3d5a n GLY 24 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 3d5a n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d5a s ILE 25 N -2.80 1.32 0.00 -0.61 -1.09 0.27 -4.92 121.20 113.38 3d5a s ILE 25 Ca 0.00 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 3d5a s ILE 25 Cb 0.00 -1.16 0.00 0.00 -1.58 0.00 0.00 42.46 39.72 3d5a s ILE 25 CO 0.00 0.39 0.00 0.61 -1.23 0.00 0.00 174.94 174.71 3d5a n GLY 26 N 3.44 6.02 0.22 6.18 0.00 -1.26 -4.08 105.19 115.71 3d5a n GLY 26 Ca -0.20 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 3d5a n GLY 26 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3d5a h LYS 27 N 0.00 0.39 0.49 1.61 1.63 -1.92 -0.41 116.57 118.36 3d5a h LYS 27 Ca 0.00 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 3d5a h LYS 27 Cb 0.00 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 3d5a h LYS 27 CO 0.00 0.26 -0.24 0.00 -3.45 0.00 0.00 179.45 176.02 3d5a h ALA 28 N 1.39 -0.66 0.00 5.00 0.00 -1.99 -2.82 119.26 120.18 3d5a h ALA 28 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3d5a h ALA 28 Cb 0.33 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3d5a h ALA 28 CO -0.28 -0.68 0.00 0.54 0.00 0.00 0.00 179.25 178.83 3d5a n ARG 29 N -5.24 0.20 0.01 0.00 1.74 -1.18 -1.75 116.66 110.43 3d5a n ARG 29 Ca -0.10 0.14 -0.21 0.00 -0.77 0.00 0.00 57.85 56.91 3d5a n ARG 29 Cb 0.31 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.11 3d5a n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d5a h ALA 30 N 2.54 0.13 -0.58 7.54 0.00 -0.92 -3.19 119.26 124.79 3d5a h ALA 30 Ca 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 54.91 53.80 3d5a h ALA 30 Cb 0.07 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3d5a h ALA 30 CO 0.00 0.72 -0.05 0.87 0.00 0.00 0.00 179.25 180.79 3d5a h LYS 31 N -0.38 1.05 -0.89 0.00 1.57 -1.09 -3.00 116.57 113.83 3d5a h LYS 31 Ca -0.27 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.17 3d5a h LYS 31 Cb 1.69 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.87 3d5a h LYS 31 CO 0.06 1.05 0.58 1.49 -0.57 0.00 0.00 179.45 182.06 3d5a h GLU 32 N 0.95 1.13 -0.65 3.15 4.22 -1.51 0.90 114.58 122.76 3d5a h GLU 32 Ca 0.16 -0.07 -0.05 0.00 0.08 0.00 0.00 59.36 59.48 3d5a h GLU 32 Cb 0.61 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3d5a h GLU 32 CO 0.04 0.75 0.22 0.00 -2.18 0.00 0.00 179.01 177.83 3d5a h ALA 33 N 1.34 0.86 -0.08 2.92 0.00 -1.52 -2.35 119.26 120.43 3d5a h ALA 33 Ca 0.34 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 3d5a h ALA 33 Cb -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3d5a h ALA 33 CO -0.09 0.52 -0.57 -0.07 0.00 0.00 0.00 179.25 179.04 3d5a h LEU 34 N 0.94 0.28 -0.64 0.00 3.38 -1.29 -2.23 115.31 115.74 3d5a h LEU 34 Ca 0.21 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3d5a h LEU 34 Cb 0.28 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3d5a h LEU 34 CO -0.01 0.79 0.00 -0.62 0.09 0.00 0.00 178.44 178.69 3d5a n GLU 35 N -3.90 1.40 0.00 1.13 1.02 0.26 -1.45 120.64 119.11 3d5a n GLU 35 Ca -0.02 -0.61 0.00 0.00 -0.02 0.00 0.00 57.16 56.51 3d5a n GLU 35 Cb 0.59 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 3d5a n GLU 35 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d5a n LYS 36 N -0.00 0.09 -0.20 3.49 4.76 -0.91 -4.74 118.16 120.65 3d5a n LYS 36 Ca 0.06 -0.22 0.01 0.00 -2.87 0.00 0.00 58.31 55.29 3d5a n LYS 36 Cb 0.15 -0.68 0.01 0.00 -1.84 0.00 0.00 35.03 32.67 3d5a n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3d5a n THR 37 N -0.08 0.29 -3.73 -0.18 -2.24 -0.87 -5.04 114.28 102.43 3d5a n THR 37 Ca 0.00 -0.32 -0.25 0.00 -2.27 0.00 0.00 64.05 61.20 3d5a n THR 37 Cb 0.10 0.64 0.02 0.00 -2.10 0.00 0.00 70.33 69.00 3d5a n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d5a n GLY 38 N -0.19 -0.55 3.43 3.38 0.00 -0.54 -4.99 105.19 105.74 3d5a n GLY 38 Ca 0.02 0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 3d5a n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d5a s ILE 39 N -3.67 3.04 -0.14 -0.61 -1.09 -0.53 -5.06 121.20 113.15 3d5a s ILE 39 Ca 0.18 -0.71 -0.22 0.00 -2.23 0.00 0.00 60.65 57.67 3d5a s ILE 39 Cb -0.06 -2.22 -0.03 0.00 -1.58 0.00 0.00 42.46 38.58 3d5a s ILE 39 CO 0.84 0.57 0.68 0.21 -1.23 0.00 0.00 174.94 176.01 3d5a s ASN 40 N -0.34 6.84 0.44 3.58 2.47 -1.26 -4.69 114.94 121.99 3d5a s ASN 40 Ca 0.03 1.02 0.17 0.00 0.42 0.00 0.00 52.86 54.50 3d5a s ASN 40 Cb -0.13 -2.38 1.09 0.00 -1.45 0.00 0.00 41.25 38.38 3d5a s ASN 40 CO 0.02 -0.21 1.92 -0.65 -3.72 0.00 0.00 177.10 174.47 3d5a h PRO 41 N 7.11 0.36 0.54 0.43 0.11 -1.98 -3.14 132.00 135.43 3d5a h PRO 41 Ca -0.36 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 3d5a h PRO 41 Cb 1.16 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.20 3d5a h PRO 41 CO 0.78 0.24 -0.26 0.00 -0.21 0.00 0.00 178.00 178.54 3d5a h ALA 42 N 1.65 -1.12 -1.80 -0.75 0.00 -1.99 -3.24 119.26 112.02 3d5a h ALA 42 Ca 0.36 -0.16 -0.64 0.00 0.00 0.00 0.00 54.91 54.47 3d5a h ALA 42 Cb 0.88 0.28 0.08 0.00 0.00 0.00 0.00 17.79 19.04 3d5a h ALA 42 CO -0.11 -1.06 0.27 0.25 0.00 0.00 0.00 179.25 178.60 3d5a n THR 43 N -4.09 1.02 -2.27 0.00 -2.24 -1.19 -4.58 114.28 100.93 3d5a n THR 43 Ca -0.09 -0.25 -0.27 0.00 -2.27 0.00 0.00 64.05 61.17 3d5a n THR 43 Cb 0.29 -0.89 0.16 0.00 -2.10 0.00 0.00 70.33 67.79 3d5a n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3d5a s ARG 44 N -0.50 1.04 0.23 -0.78 1.81 -1.26 -3.38 118.95 116.11 3d5a s ARG 44 Ca 0.71 -0.83 0.25 0.00 -1.72 0.00 0.00 55.73 54.14 3d5a s ARG 44 Cb -0.83 -2.08 0.49 0.00 -0.45 0.00 0.00 34.95 32.09 3d5a s ARG 44 CO 0.53 -2.01 1.53 0.28 -0.68 0.00 0.00 175.30 174.95 3d5a h VAL 45 N -1.14 0.00 0.00 3.52 2.07 -1.86 -3.27 116.25 115.57 3d5a h VAL 45 Ca -0.40 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3d5a h VAL 45 Cb 1.24 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3d5a h VAL 45 CO 0.37 0.00 0.00 2.29 0.02 0.00 0.00 177.57 180.25 3d5a n LYS 46 N -2.42 0.53 -2.72 1.57 2.85 -1.26 -4.01 118.16 112.70 3d5a n LYS 46 Ca 0.04 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.26 3d5a n LYS 46 Cb 0.47 -1.23 0.02 0.00 -0.65 0.00 0.00 35.03 33.64 3d5a n LYS 46 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3d5a n ASP 47 N -0.73 -2.56 -3.95 -5.58 5.68 -1.23 -5.05 116.55 103.13 3d5a n ASP 47 Ca 0.06 -2.05 -0.09 0.00 -0.50 0.00 0.00 54.79 52.20 3d5a n ASP 47 Cb 0.03 1.30 -0.10 0.00 -1.14 0.00 0.00 41.12 41.21 3d5a n ASP 47 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 3d5a s LEU 48 N 0.88 1.93 0.50 -2.12 2.34 -1.26 -4.70 118.68 116.26 3d5a s LEU 48 Ca 0.27 -0.54 -0.23 0.00 0.06 0.00 0.00 54.13 53.69 3d5a s LEU 48 Cb 0.06 0.47 -0.06 0.00 -0.56 0.00 0.00 46.19 46.10 3d5a s LEU 48 CO -0.08 -0.46 1.34 -0.89 -1.06 0.00 0.00 176.35 175.19 3d5a s THR 49 N -2.39 2.29 0.54 5.48 2.01 -1.26 -4.84 115.64 117.47 3d5a s THR 49 Ca -0.07 0.23 0.28 0.00 0.31 0.00 0.00 61.69 62.43 3d5a s THR 49 Cb -0.03 -3.12 0.33 0.00 0.01 0.00 0.00 72.50 69.69 3d5a s THR 49 CO -0.04 0.01 2.20 -0.33 -0.69 0.00 0.00 174.62 175.77 3d5a h GLU 50 N 1.83 0.00 -0.03 4.92 3.07 -2.01 0.44 114.58 122.81 3d5a h GLU 50 Ca -0.51 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.12 3d5a h GLU 50 Cb 1.28 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.21 3d5a h GLU 50 CO 0.59 0.03 -0.90 0.00 -1.40 0.00 0.00 179.01 177.33 3d5a h ALA 51 N 1.97 0.14 0.00 3.43 0.00 -2.00 -3.17 119.26 119.63 3d5a h ALA 51 Ca -0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.21 3d5a h ALA 51 Cb 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3d5a h ALA 51 CO 0.00 0.61 -0.22 0.93 0.00 0.00 0.00 179.25 180.58 3d5a h GLU 52 N 0.31 0.00 0.00 0.00 5.08 -1.51 0.06 114.58 118.52 3d5a h GLU 52 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3d5a h GLU 52 Cb 1.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.81 3d5a h GLU 52 CO 0.18 0.22 0.00 0.28 -1.00 0.00 0.00 179.01 178.68 3d5a n VAL 53 N -3.57 0.00 -0.32 3.13 0.31 -0.00 -1.46 118.33 116.42 3d5a n VAL 53 Ca -0.01 1.38 0.14 0.00 -0.01 0.00 0.00 64.34 65.84 3d5a n VAL 53 Cb 0.36 -2.37 0.37 0.00 -0.91 0.00 0.00 33.84 31.29 3d5a n VAL 53 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3d5a h VAL 54 N 0.00 0.71 0.45 2.52 2.07 -1.54 0.47 116.25 120.93 3d5a h VAL 54 Ca 0.00 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3d5a h VAL 54 Cb 0.00 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.73 3d5a h VAL 54 CO 0.00 0.12 -0.40 -0.09 0.02 0.00 0.00 177.57 177.23 3d5a h ARG 55 N 0.68 -0.80 -0.12 1.57 2.43 -0.97 0.05 114.38 117.22 3d5a h ARG 55 Ca 0.54 0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 59.56 3d5a h ARG 55 Cb 0.95 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3d5a h ARG 55 CO -0.31 -0.53 -0.74 1.25 -1.51 0.00 0.00 179.97 178.12 3d5a h LEU 56 N -0.83 0.72 0.46 3.80 7.12 -0.87 -2.89 115.31 122.82 3d5a h LEU 56 Ca -0.06 -0.47 -0.02 0.00 0.13 0.00 0.00 57.88 57.46 3d5a h LEU 56 Cb 0.71 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 3d5a h LEU 56 CO -0.02 1.24 -0.22 -0.09 -0.13 0.00 0.00 178.44 179.22 3d5a h ARG 57 N 0.42 -0.60 -0.59 1.25 2.43 -0.06 -2.93 114.38 114.31 3d5a h ARG 57 Ca -0.04 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 3d5a h ARG 57 Cb 1.35 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.98 3d5a h ARG 57 CO 0.14 -0.40 0.28 1.49 -1.51 0.00 0.00 179.97 179.98 3d5a h GLU 58 N -0.65 0.51 0.00 0.20 4.22 -1.11 -1.72 114.58 116.03 3d5a h GLU 58 Ca -0.06 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.35 3d5a h GLU 58 Cb 0.48 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3d5a h GLU 58 CO 0.10 0.34 0.00 0.98 -2.18 0.00 0.00 179.01 178.26 3d5a n TYR 59 N -4.89 0.00 -0.35 0.92 9.36 -1.09 -0.62 117.16 120.49 3d5a n TYR 59 Ca 0.07 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.44 3d5a n TYR 59 Cb 0.19 -0.22 0.35 0.00 -0.63 0.00 0.00 39.34 39.02 3d5a n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3d5a h VAL 60 N 0.00 0.64 0.50 2.97 2.07 -1.51 0.43 116.25 121.35 3d5a h VAL 60 Ca 0.00 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3d5a h VAL 60 Cb 0.00 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.64 3d5a h VAL 60 CO 0.00 0.13 -0.41 -0.08 0.02 0.00 0.00 177.57 177.23 3d5a h GLU 61 N 0.69 -0.87 0.00 1.57 4.81 -0.87 -3.03 114.58 116.88 3d5a h GLU 61 Ca 0.61 0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.85 3d5a h GLU 61 Cb 1.03 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3d5a h GLU 61 CO -0.42 -0.58 -0.21 -0.97 -0.73 0.00 0.00 179.01 176.10 3d5a h ASN 62 N -0.90 0.00 0.00 1.04 -1.24 -0.30 -3.40 115.58 110.78 3d5a h ASN 62 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.96 3d5a h ASN 62 Cb 0.77 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.82 3d5a h ASN 62 CO -0.01 0.21 0.00 0.41 -1.29 0.00 0.00 177.43 176.75 3d5a n THR 63 N -3.22 0.00 -3.41 -3.57 -1.04 0.09 -4.90 114.28 98.23 3d5a n THR 63 Ca 0.02 0.69 -0.19 0.00 -2.04 0.00 0.00 64.05 62.53 3d5a n THR 63 Cb 0.54 -1.67 -0.01 0.00 -1.82 0.00 0.00 70.33 67.37 3d5a n THR 63 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 3d5a s TRP 64 N -0.38 2.94 0.71 -1.42 -2.14 -1.24 -5.09 118.94 112.32 3d5a s TRP 64 Ca 0.00 -0.32 -0.16 0.00 2.66 0.00 0.00 56.10 58.28 3d5a s TRP 64 Cb 0.00 -2.09 -0.00 0.00 -3.10 0.00 0.00 33.47 28.28 3d5a s TRP 64 CO 0.00 -0.11 0.93 0.36 -2.66 0.00 0.00 176.95 175.47 3d5a n LYS 65 N -1.64 0.52 -3.27 3.25 2.85 -1.26 -4.86 118.16 113.74 3d5a n LYS 65 Ca 0.02 0.23 -0.00 0.00 -1.05 0.00 0.00 58.31 57.51 3d5a n LYS 65 Cb 0.59 -2.18 0.01 0.00 -0.65 0.00 0.00 35.03 32.80 3d5a n LYS 65 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 3d5a n LEU 66 N -1.49 0.00 0.00 -5.58 -0.00 -1.26 -4.83 117.00 103.84 3d5a n LEU 66 Ca 0.13 -0.76 0.00 0.00 -0.00 0.00 0.00 56.01 55.38 3d5a n LEU 66 Cb 0.49 1.76 0.00 0.00 -0.00 0.00 0.00 43.42 45.67 3d5a n LEU 66 CO 0.49 -0.25 0.00 1.21 -0.00 0.00 0.00 177.39 178.84 3d5a n GLU 67 N -0.58 0.00 -0.13 1.47 4.07 -0.88 -2.16 120.64 122.43 3d5a n GLU 67 Ca 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 3d5a n GLU 67 Cb 0.42 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.78 3d5a n GLU 67 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3d5a h GLY 68 N 0.00 0.88 0.57 8.31 0.00 -1.96 -2.97 103.07 107.89 3d5a h GLY 68 Ca 0.00 -0.80 0.17 0.00 0.00 0.00 0.00 47.33 46.70 3d5a h GLY 68 CO 0.00 0.73 0.53 1.05 0.00 0.00 0.00 176.54 178.84 3d5a h GLU 69 N 0.61 0.31 0.21 4.80 4.11 -1.99 0.62 114.58 123.25 3d5a h GLU 69 Ca 0.08 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.48 3d5a h GLU 69 Cb 0.76 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3d5a h GLU 69 CO 0.06 0.21 -0.10 1.25 0.07 0.00 0.00 179.01 180.50 3d5a h LEU 70 N 0.32 -0.24 -2.65 3.06 6.46 -1.33 -2.95 115.31 117.99 3d5a h LEU 70 Ca 0.39 -0.29 0.01 0.00 -0.12 0.00 0.00 57.88 57.86 3d5a h LEU 70 Cb 1.03 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.02 3d5a h LEU 70 CO -0.11 0.23 0.04 -0.09 -0.62 0.00 0.00 178.44 177.89 3d5a h ARG 71 N -0.77 0.00 -0.29 1.25 2.43 -0.97 0.15 114.38 116.18 3d5a h ARG 71 Ca -0.03 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 3d5a h ARG 71 Cb 0.51 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3d5a h ARG 71 CO 0.05 0.00 -0.36 0.00 -1.51 0.00 0.00 179.97 178.15 3d5a h ALA 72 N 1.94 0.83 0.00 2.80 0.00 0.26 -2.49 119.26 122.59 3d5a h ALA 72 Ca 0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 3d5a h ALA 72 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3d5a h ALA 72 CO -0.00 0.64 -0.38 1.49 0.00 0.00 0.00 179.25 181.00 3d5a h GLU 73 N 0.54 0.00 0.69 0.00 4.81 -0.54 -0.28 114.58 119.80 3d5a h GLU 73 Ca 0.05 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3d5a h GLU 73 Cb 0.87 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3d5a h GLU 73 CO 0.08 0.38 -0.37 0.28 -0.73 0.00 0.00 179.01 178.65 3d5a h VAL 74 N 0.00 0.25 -0.20 0.32 2.07 -1.05 -0.71 116.25 116.94 3d5a h VAL 74 Ca -0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3d5a h VAL 74 Cb 0.68 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3d5a h VAL 74 CO 0.05 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.54 3d5a h ALA 75 N -0.69 1.47 0.37 1.67 0.00 -1.46 -3.10 119.26 117.53 3d5a h ALA 75 Ca -0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3d5a h ALA 75 Cb 0.77 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3d5a h ALA 75 CO 0.13 0.37 -0.37 0.00 0.00 0.00 0.00 179.25 179.38 3d5a h ALA 76 N 1.61 -0.80 -0.13 0.00 0.00 -0.62 0.65 119.26 119.96 3d5a h ALA 76 Ca 0.06 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3d5a h ALA 76 Cb 0.36 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3d5a h ALA 76 CO 0.02 -0.99 0.16 -0.91 0.00 0.00 0.00 179.25 177.54 3d5a h ASN 77 N -0.77 0.00 1.54 0.00 2.35 -1.09 0.23 115.58 117.85 3d5a h ASN 77 Ca -0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3d5a h ASN 77 Cb 0.69 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 3d5a h ASN 77 CO -0.06 0.00 -0.48 0.40 -1.65 0.00 0.00 177.43 175.64 3d5a h ILE 78 N 0.00 0.27 -0.24 2.81 2.04 -1.22 -2.70 117.51 118.48 3d5a h ILE 78 Ca 0.06 -1.41 -0.04 0.00 1.00 0.00 0.00 64.86 64.48 3d5a h ILE 78 Cb 0.39 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 3d5a h ILE 78 CO -0.00 0.15 -0.02 0.11 0.00 0.00 0.00 178.15 178.40 3d5a h LYS 79 N 0.00 0.35 0.01 2.37 1.57 0.17 -1.14 116.57 119.91 3d5a h LYS 79 Ca -0.02 -0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.45 3d5a h LYS 79 Cb 1.16 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.42 3d5a h LYS 79 CO 0.02 0.39 -1.03 -0.09 -0.57 0.00 0.00 179.45 178.18 3d5a h ARG 80 N 0.34 0.57 0.00 3.15 2.43 -1.36 0.26 114.38 119.77 3d5a h ARG 80 Ca 0.08 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3d5a h ARG 80 Cb 0.26 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3d5a h ARG 80 CO 0.01 1.24 0.00 1.28 -1.51 0.00 0.00 179.97 180.99 3d5a n LEU 81 N -3.80 0.00 -0.09 3.80 4.77 -0.98 -3.03 117.00 117.67 3d5a n LEU 81 Ca -0.09 0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 3d5a n LEU 81 Cb 0.88 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 3d5a n LEU 81 CO 0.54 -0.22 -1.11 0.80 -1.33 0.00 0.00 177.39 176.07 3d5a n MET 82 N -1.34 0.47 -0.16 3.23 0.00 -0.47 -3.38 117.12 115.46 3d5a n MET 82 Ca 0.04 0.11 0.16 0.00 0.00 0.00 0.00 57.70 58.01 3d5a n MET 82 Cb 0.09 -1.37 0.51 0.00 0.00 0.00 0.00 33.22 32.46 3d5a n MET 82 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 175.97 176.35 3d5a h ASP 83 N -0.02 0.37 0.00 6.12 -0.00 -0.42 -3.30 116.42 119.18 3d5a h ASP 83 Ca -0.42 0.02 -0.08 0.00 -0.00 0.00 0.00 57.03 56.55 3d5a h ASP 83 Cb 1.64 -0.05 -0.01 0.00 -0.00 0.00 0.00 39.33 40.91 3d5a h ASP 83 CO -0.07 0.19 -1.04 0.00 -0.00 0.00 0.00 179.24 178.31 3d5a n ILE 84 N -4.47 0.63 0.00 4.15 0.13 -1.25 -5.11 119.36 113.43 3d5a n ILE 84 Ca 0.14 0.03 0.00 0.00 -1.10 0.00 0.00 62.75 61.83 3d5a n ILE 84 Cb 0.55 -1.64 0.00 0.00 -0.84 0.00 0.00 39.64 37.71 3d5a n ILE 84 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3d5a n GLY 85 N 2.71 0.75 3.77 4.50 0.00 -1.22 -5.10 105.19 110.61 3d5a n GLY 85 Ca -0.10 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 3d5a n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5a h TYR 87 N -1.18 0.06 0.15 0.00 -1.99 -2.00 -0.69 116.97 111.33 3d5a h TYR 87 Ca -0.46 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.26 3d5a h TYR 87 Cb 1.25 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.96 3d5a h TYR 87 CO 0.52 0.02 -0.07 0.00 -0.00 0.00 0.00 178.16 178.62 3d5a h ARG 88 N 0.05 -0.19 -0.32 4.88 3.08 -1.93 -3.18 114.38 116.77 3d5a h ARG 88 Ca 0.37 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.40 3d5a h ARG 88 Cb 1.41 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.49 3d5a h ARG 88 CO -0.02 0.06 0.08 0.78 -1.07 0.00 0.00 179.97 179.80 3d5a h GLY 89 N -0.42 0.54 1.28 0.04 0.00 -1.32 -2.76 103.07 100.43 3d5a h GLY 89 Ca -0.02 -0.34 0.08 0.00 0.00 0.00 0.00 47.33 47.05 3d5a h GLY 89 CO 0.03 0.32 0.28 1.41 0.00 0.00 0.00 176.54 178.58 3d5a h LEU 90 N 0.35 0.00 -0.61 3.11 3.38 -1.40 0.35 115.31 120.49 3d5a h LEU 90 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3d5a h LEU 90 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3d5a h LEU 90 CO 0.00 0.00 0.25 0.03 0.09 0.00 0.00 178.44 178.81 3d5a h ARG 91 N 0.00 0.90 -0.06 1.13 2.47 -1.47 -2.29 114.38 115.06 3d5a h ARG 91 Ca 0.13 -0.16 -0.07 0.00 -1.26 0.00 0.00 59.98 58.62 3d5a h ARG 91 Cb 0.69 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 3d5a h ARG 91 CO -0.00 0.76 -0.27 0.45 0.56 0.00 0.00 179.97 181.46 3d5a h HIS 92 N 0.84 0.12 -0.10 3.04 3.86 -0.40 0.35 115.15 122.86 3d5a h HIS 92 Ca 0.20 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.44 3d5a h HIS 92 Cb 0.19 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.57 3d5a h HIS 92 CO 0.01 0.38 -0.28 0.00 0.86 0.00 0.00 177.93 178.90 3d5a h ARG 93 N 0.10 -0.35 0.00 2.45 -0.00 -0.81 -3.07 114.38 112.70 3d5a h ARG 93 Ca 0.02 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.52 3d5a h ARG 93 Cb 0.54 0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.59 3d5a h ARG 93 CO 0.04 -0.24 -1.30 -2.13 0.00 0.00 0.00 179.97 176.34 3d5a n ARG 94 N -5.39 0.58 0.00 0.04 0.63 -1.20 -4.96 116.66 106.37 3d5a n ARG 94 Ca -0.03 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 3d5a n ARG 94 Cb 0.30 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.51 3d5a n ARG 94 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3d5a n GLY 95 N 1.23 0.87 3.76 5.14 0.00 -0.46 -5.04 105.19 110.69 3d5a n GLY 95 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3d5a n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d5a s LEU 96 N 0.00 3.48 1.15 0.99 1.43 0.11 -4.36 118.68 121.48 3d5a s LEU 96 Ca 0.00 2.17 -0.13 0.00 -1.03 0.00 0.00 54.13 55.15 3d5a s LEU 96 Cb 0.00 -4.57 0.27 0.00 0.03 0.00 0.00 46.19 41.92 3d5a s LEU 96 CO 0.00 -1.70 1.04 -2.16 0.23 0.00 0.00 176.35 173.76 3d5a s PRO 97 N -3.79 -0.79 -0.17 1.29 0.04 -1.26 -4.05 135.00 126.27 3d5a s PRO 97 Ca 0.71 0.84 0.16 0.00 0.04 0.00 0.00 61.00 62.75 3d5a s PRO 97 Cb -0.25 -1.57 0.63 0.00 0.04 0.00 0.00 34.50 33.35 3d5a s PRO 97 CO 0.38 -3.64 1.54 0.28 0.04 0.00 0.00 177.00 175.60 3d5a n VAL 98 N -4.86 2.24 -1.20 -0.36 0.31 -1.26 -4.33 118.33 108.88 3d5a n VAL 98 Ca 0.03 -1.55 0.05 0.00 -0.01 0.00 0.00 64.34 62.85 3d5a n VAL 98 Cb 0.54 -0.13 0.06 0.00 -0.91 0.00 0.00 33.84 33.41 3d5a n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3d5a n ARG 99 N 0.18 1.00 -4.09 5.55 3.00 -1.26 -4.99 116.66 116.04 3d5a n ARG 99 Ca 0.23 -1.74 -0.34 0.00 -0.01 0.00 0.00 57.85 55.99 3d5a n ARG 99 Cb 0.94 -1.02 -0.04 0.00 0.00 0.00 0.00 32.46 32.34 3d5a n ARG 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3d5a n GLY 100 N -0.72 -0.44 0.00 -0.13 0.00 -1.26 -4.91 105.19 97.72 3d5a n GLY 100 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3d5a n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3d5a n GLN 101 N -4.05 1.33 -2.17 1.61 6.02 -1.26 -4.81 117.38 114.05 3d5a n GLN 101 Ca 0.08 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.76 3d5a n GLN 101 Cb 0.48 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.70 3d5a n GLN 101 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3d5a s ARG 102 N 0.00 2.80 0.06 -1.09 1.81 -1.26 -4.66 118.95 116.61 3d5a s ARG 102 Ca 0.00 -0.98 -0.00 0.00 -1.72 0.00 0.00 55.73 53.03 3d5a s ARG 102 Cb 0.00 -5.23 -0.26 0.00 -0.45 0.00 0.00 34.95 29.01 3d5a s ARG 102 CO 0.00 -3.40 1.05 1.79 -0.68 0.00 0.00 175.30 174.06 3d5a h THR 103 N 6.52 1.40 0.00 0.02 1.35 -1.87 -3.27 112.91 117.06 3d5a h THR 103 Ca 0.20 -3.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.03 3d5a h THR 103 Cb 0.96 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 70.21 3d5a h THR 103 CO 1.27 0.86 0.08 -0.09 -0.25 0.00 0.00 175.52 177.39 3d5a h ARG 104 N 0.05 0.00 0.00 4.72 2.43 -1.99 -3.41 114.38 116.18 3d5a h ARG 104 Ca -0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3d5a h ARG 104 Cb 1.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.49 3d5a h ARG 104 CO 0.17 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 178.88 3d5a n THR 105 N -2.84 0.00 0.00 0.20 -2.24 -1.23 -5.14 114.28 103.03 3d5a n THR 105 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3d5a n THR 105 Cb 0.13 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 3d5a n THR 105 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3d5a n ASN 106 N 0.00 0.00 -1.73 3.42 6.94 -1.24 -4.87 115.26 117.78 3d5a n ASN 106 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.46 3d5a n ASN 106 Cb 0.00 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 37.45 3d5a n ASN 106 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3d5a n ALA 107 N -3.00 -0.52 0.31 -2.53 0.00 -1.25 -4.59 120.51 108.93 3d5a n ALA 107 Ca 0.00 0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.74 3d5a n ALA 107 Cb 0.00 -2.49 0.37 0.00 0.00 0.00 0.00 19.45 17.32 3d5a n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d5a h ARG 108 N -1.03 0.00 -1.06 0.00 -0.00 -1.89 -3.28 114.38 107.11 3d5a h ARG 108 Ca -0.24 0.00 0.31 0.00 -0.50 0.00 0.00 59.98 59.55 3d5a h ARG 108 Cb 1.16 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.08 3d5a h ARG 108 CO 0.24 0.00 0.76 1.15 0.00 0.00 0.00 179.97 182.12 3d5a h THR 109 N 0.00 0.47 0.00 2.04 2.02 -1.92 -1.40 112.91 114.12 3d5a h THR 109 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3d5a h THR 109 Cb 0.79 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3d5a h THR 109 CO 0.00 0.00 -1.32 0.54 0.37 0.00 0.00 175.52 175.11 3d5a n ARG 110 N -4.23 0.64 -0.06 6.66 1.74 -1.25 -4.55 116.66 115.61 3d5a n ARG 110 Ca 0.23 -0.05 0.02 0.00 -0.77 0.00 0.00 57.85 57.28 3d5a n ARG 110 Cb 1.12 -1.16 0.08 0.00 -1.02 0.00 0.00 32.46 31.48 3d5a n ARG 110 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3d5a n LYS 111 N -1.81 1.28 0.00 5.56 5.02 -0.59 -4.86 118.16 122.76 3d5a n LYS 111 Ca -0.03 -0.44 0.00 0.00 -2.02 0.00 0.00 58.31 55.83 3d5a n LYS 111 Cb 0.26 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 3d5a n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d5a n GLY 112 N 0.71 -0.75 3.29 0.72 0.00 -0.81 -4.82 105.19 103.54 3d5a n GLY 112 Ca 0.05 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 3d5a n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3d5a n PRO 113 N -1.66 -2.35 -3.02 1.61 -0.04 -1.26 -4.78 135.00 123.51 3d5a n PRO 113 Ca 0.00 -0.67 -0.43 0.00 -0.04 0.00 0.00 63.50 62.36 3d5a n PRO 113 Cb 0.00 -1.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.58 3d5a n PRO 113 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3d5a s ARG 114 N -3.87 3.46 -1.22 0.54 0.52 -1.26 -4.99 118.95 112.14 3d5a s ARG 114 Ca 0.59 -0.09 -0.12 0.00 -0.52 0.00 0.00 55.73 55.58 3d5a s ARG 114 Cb -0.15 -3.90 0.18 0.00 0.52 0.00 0.00 34.95 31.60 3d5a s ARG 114 CO 0.62 -0.99 1.51 1.63 0.02 0.00 0.00 175.30 178.08 3d5a n LYS 115 N 6.46 3.45 0.00 3.54 4.01 -1.26 -4.93 118.16 129.43 3d5a n LYS 115 Ca 0.01 -3.83 0.00 0.00 -0.51 0.00 0.00 58.31 53.97 3d5a n LYS 115 Cb 0.48 -2.98 0.00 0.00 -0.51 0.00 0.00 35.03 32.02 3d5a n LYS 115 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3d5a n THR 116 N 4.17 0.00 -3.12 -0.18 -1.04 -1.26 -4.88 114.28 107.97 3d5a n THR 116 Ca 0.37 0.69 -0.00 0.00 -2.04 0.00 0.00 64.05 63.06 3d5a n THR 116 Cb 0.41 -1.03 -0.00 0.00 -1.82 0.00 0.00 70.33 67.89 3d5a n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3d5a n VAL 117 N -0.84 -1.83 -1.90 12.58 0.31 -1.26 -5.34 118.33 120.06 3d5a n VAL 117 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 3d5a n VAL 117 Cb 0.00 -2.87 0.00 0.00 -0.91 0.00 0.00 33.84 30.06 3d5a n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51