#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5b s GLU 2 N 0.00 0.96 -0.22 2.12 -1.05 -1.26 -3.63 118.70 115.62 3d5b s GLU 2 Ca 0.00 -0.25 0.00 0.00 -0.15 0.00 0.00 54.97 54.57 3d5b s GLU 2 Cb 0.00 0.43 0.06 0.00 -0.44 0.00 0.00 34.13 34.18 3d5b s GLU 2 CO 0.00 -0.33 -0.05 0.00 0.95 0.00 0.00 175.26 175.83 3d5b s ALA 3 N -2.27 1.78 0.72 -0.84 0.00 -1.23 -4.96 121.76 114.96 3d5b s ALA 3 Ca -0.06 -1.18 -0.07 0.00 0.00 0.00 0.00 51.96 50.65 3d5b s ALA 3 Cb -0.01 -1.34 0.07 0.00 0.00 0.00 0.00 23.12 21.84 3d5b s ALA 3 CO -0.01 -1.09 1.04 0.15 0.00 0.00 0.00 175.76 175.85 3d5b s LYS 4 N 1.49 2.07 -0.30 0.00 1.02 -1.26 -1.56 119.74 121.20 3d5b s LYS 4 Ca -0.04 -0.30 -0.15 0.00 0.02 0.00 0.00 55.97 55.51 3d5b s LYS 4 Cb -0.18 -2.15 0.18 0.00 -0.52 0.00 0.00 37.83 35.15 3d5b s LYS 4 CO -0.07 -1.33 1.12 0.00 -0.92 0.00 0.00 175.35 174.15 3d5b s ALA 5 N -3.29 -3.74 -0.07 5.17 0.00 -0.48 -4.79 121.76 114.56 3d5b s ALA 5 Ca 0.61 1.36 0.04 0.00 0.00 0.00 0.00 51.96 53.98 3d5b s ALA 5 Cb -0.10 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 3d5b s ALA 5 CO 0.45 -1.60 -0.19 0.42 0.00 0.00 0.00 175.76 174.84 3d5b s ILE 6 N 2.97 2.57 -0.70 0.00 1.01 -1.26 -1.89 121.20 123.90 3d5b s ILE 6 Ca 0.01 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 3d5b s ILE 6 Cb -0.08 -1.99 0.18 0.00 0.01 0.00 0.00 42.46 40.58 3d5b s ILE 6 CO -0.12 0.57 0.54 0.00 0.00 0.00 0.00 174.94 175.93 3d5b s ALA 7 N -0.25 3.76 0.67 9.38 0.00 -0.83 -4.97 121.76 129.52 3d5b s ALA 7 Ca 0.00 -3.38 -0.12 0.00 0.00 0.00 0.00 51.96 48.46 3d5b s ALA 7 Cb -0.13 -2.81 -0.00 0.00 0.00 0.00 0.00 23.12 20.18 3d5b s ALA 7 CO 0.03 -2.14 1.06 1.03 0.00 0.00 0.00 175.76 175.74 3d5b s ARG 8 N -0.26 2.99 -0.80 0.00 0.52 -1.26 -3.11 118.95 117.03 3d5b s ARG 8 Ca 0.19 1.07 -0.02 0.00 -0.52 0.00 0.00 55.73 56.45 3d5b s ARG 8 Cb -0.17 -1.99 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 3d5b s ARG 8 CO -0.05 -1.06 0.71 0.66 0.02 0.00 0.00 175.30 175.57 3d5b n TYR 9 N -2.80 -2.72 -4.04 -0.53 0.53 -1.18 -4.97 117.16 101.44 3d5b n TYR 9 Ca 0.08 1.03 -0.32 0.00 -1.02 0.00 0.00 57.90 57.67 3d5b n TYR 9 Cb 0.53 -3.85 -0.15 0.00 -1.03 0.00 0.00 39.34 34.84 3d5b n TYR 9 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3d5b s VAL 10 N -3.06 1.95 -0.79 -0.72 1.01 -1.00 -4.93 120.40 112.87 3d5b s VAL 10 Ca 0.07 -1.40 -0.23 0.00 0.00 0.00 0.00 61.98 60.42 3d5b s VAL 10 Cb -0.01 -2.06 -0.17 0.00 0.00 0.00 0.00 36.38 34.13 3d5b s VAL 10 CO 0.78 0.04 2.39 0.54 0.00 0.00 0.00 175.10 178.85 3d5b n ARG 11 N 4.53 0.50 0.00 2.72 5.12 -1.26 -1.98 116.66 126.30 3d5b n ARG 11 Ca -0.14 -0.46 0.00 0.00 -1.93 0.00 0.00 57.85 55.32 3d5b n ARG 11 Cb 0.44 -2.96 0.00 0.00 -1.16 0.00 0.00 32.46 28.78 3d5b n ARG 11 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 3d5b n ILE 12 N 7.90 0.00 -2.52 0.55 3.06 -1.22 -5.00 119.36 122.13 3d5b n ILE 12 Ca 0.51 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 60.33 3d5b n ILE 12 Cb 0.37 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.52 3d5b n ILE 12 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 3d5b s SER 13 N 0.00 7.11 0.18 9.51 0.15 -1.26 -3.49 113.70 125.90 3d5b s SER 13 Ca 0.00 1.75 -0.22 0.00 0.70 0.00 0.00 55.95 58.18 3d5b s SER 13 Cb 0.00 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 61.85 3d5b s SER 13 CO 0.00 -0.54 1.59 -0.65 1.20 0.00 0.00 173.24 174.84 3d5b h PRO 14 N 7.32 -0.19 -1.24 5.44 0.11 -1.91 0.08 132.00 141.61 3d5b h PRO 14 Ca -0.34 0.01 0.39 0.00 0.11 0.00 0.00 66.00 66.17 3d5b h PRO 14 Cb 1.16 0.04 -0.12 0.00 0.11 0.00 0.00 31.00 32.20 3d5b h PRO 14 CO 0.87 -0.13 0.80 0.00 -0.21 0.00 0.00 178.00 179.34 3d5b h ARG 15 N -0.20 0.16 0.03 1.05 3.08 -1.96 0.49 114.38 117.03 3d5b h ARG 15 Ca 0.21 -0.01 -0.27 0.00 0.07 0.00 0.00 59.98 59.98 3d5b h ARG 15 Cb 0.55 -0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.58 3d5b h ARG 15 CO -0.63 0.11 -1.08 0.87 -1.07 0.00 0.00 179.97 178.16 3d5b h LYS 16 N 0.17 0.65 0.00 0.04 1.57 -1.37 -3.26 116.57 114.36 3d5b h LYS 16 Ca 0.75 -0.74 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 3d5b h LYS 16 Cb 2.28 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 34.79 3d5b h LYS 16 CO -0.37 1.31 -0.86 -0.39 -0.57 0.00 0.00 179.45 178.58 3d5b h VAL 17 N 0.35 1.27 -0.84 0.50 -1.51 -0.67 -3.26 116.25 112.10 3d5b h VAL 17 Ca -0.14 -2.84 0.19 0.00 -1.23 0.00 0.00 66.70 62.68 3d5b h VAL 17 Cb 1.74 2.62 -0.11 0.00 -2.13 0.00 0.00 31.29 33.40 3d5b h VAL 17 CO 0.21 0.73 0.34 0.03 -1.23 0.00 0.00 177.57 177.64 3d5b h ARG 18 N 0.00 0.39 -0.16 5.19 3.08 -0.19 0.14 114.38 122.83 3d5b h ARG 18 Ca -0.03 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.02 3d5b h ARG 18 Cb 1.62 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.56 3d5b h ARG 18 CO 0.10 0.26 0.02 -0.07 -1.07 0.00 0.00 179.97 179.21 3d5b h LEU 19 N 0.40 -0.02 0.22 3.04 4.07 -1.63 -1.19 115.31 120.20 3d5b h LEU 19 Ca 0.50 0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.50 3d5b h LEU 19 Cb 0.88 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.64 3d5b h LEU 19 CO -0.49 0.01 -0.31 0.58 -1.08 0.00 0.00 178.44 177.15 3d5b h VAL 20 N 0.08 0.35 -0.16 1.22 2.07 -0.96 -2.95 116.25 115.90 3d5b h VAL 20 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 3d5b h VAL 20 Cb 0.08 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 3d5b h VAL 20 CO -0.11 0.00 -0.41 0.58 0.02 0.00 0.00 177.57 177.65 3d5b h VAL 21 N -0.59 0.15 -0.38 2.57 2.07 -0.75 -1.62 116.25 117.70 3d5b h VAL 21 Ca 0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.64 3d5b h VAL 21 Cb 0.58 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3d5b h VAL 21 CO -0.12 0.00 0.50 0.44 0.02 0.00 0.00 177.57 178.42 3d5b h ASP 22 N -0.47 0.00 -0.26 0.57 3.45 -1.06 -0.13 116.42 118.53 3d5b h ASP 22 Ca 0.08 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.52 3d5b h ASP 22 Cb 0.62 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.37 3d5b h ASP 22 CO -0.41 0.00 0.07 -0.07 -1.57 0.00 0.00 179.24 177.26 3d5b h LEU 23 N 0.00 0.38 -2.69 1.55 4.07 -1.15 -3.13 115.31 114.35 3d5b h LEU 23 Ca 0.18 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3d5b h LEU 23 Cb 1.19 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.82 3d5b h LEU 23 CO -0.00 0.50 0.00 2.30 -1.08 0.00 0.00 178.44 180.16 3d5b n ILE 24 N -4.72 1.65 -1.65 1.22 -5.35 -0.08 -4.90 119.36 105.53 3d5b n ILE 24 Ca -0.03 -0.98 -0.34 0.00 -0.27 0.00 0.00 62.75 61.13 3d5b n ILE 24 Cb 0.17 -0.05 -0.03 0.00 -1.74 0.00 0.00 39.64 37.98 3d5b n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3d5b s ARG 25 N -1.94 2.13 -0.15 6.28 3.52 -1.12 -2.84 118.95 124.84 3d5b s ARG 25 Ca 0.42 1.15 -0.00 0.00 -0.13 0.00 0.00 55.73 57.17 3d5b s ARG 25 Cb 0.28 -4.59 -0.00 0.00 -1.56 0.00 0.00 34.95 29.08 3d5b s ARG 25 CO 0.18 -3.32 0.13 0.41 -0.81 0.00 0.00 175.30 171.89 3d5b n GLY 26 N 6.06 0.45 3.32 8.12 0.00 -1.06 -5.05 105.19 117.03 3d5b n GLY 26 Ca 0.35 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 3d5b n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5b s LYS 27 N -3.80 1.25 0.58 1.61 3.01 -1.13 -4.77 119.74 116.49 3d5b s LYS 27 Ca 0.02 -1.49 -0.21 0.00 -1.01 0.00 0.00 55.97 53.28 3d5b s LYS 27 Cb -0.00 -1.08 -0.04 0.00 -1.01 0.00 0.00 37.83 35.70 3d5b s LYS 27 CO 0.10 0.19 1.35 0.45 0.51 0.00 0.00 175.35 177.94 3d5b n SER 28 N -0.11 2.56 0.05 2.83 2.88 -1.26 -1.58 113.62 118.99 3d5b n SER 28 Ca -0.10 0.94 -0.15 0.00 -1.33 0.00 0.00 58.87 58.22 3d5b n SER 28 Cb 0.59 -1.58 -0.10 0.00 -0.75 0.00 0.00 64.21 62.38 3d5b n SER 28 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3d5b h LEU 29 N 1.18 -1.62 -0.49 2.46 5.85 -1.79 0.35 115.31 121.25 3d5b h LEU 29 Ca -0.51 0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.45 3d5b h LEU 29 Cb 1.31 0.62 -0.05 0.00 0.37 0.00 0.00 40.66 42.90 3d5b h LEU 29 CO 0.56 -0.51 0.18 -0.08 -0.34 0.00 0.00 178.44 178.25 3d5b h GLU 30 N -0.66 0.35 -0.65 1.25 4.81 -1.91 0.12 114.58 117.89 3d5b h GLU 30 Ca 0.01 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.35 3d5b h GLU 30 Cb 0.70 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.91 3d5b h GLU 30 CO -0.35 0.23 0.15 1.49 -0.73 0.00 0.00 179.01 179.80 3d5b h GLU 31 N 0.37 0.26 -0.19 1.92 4.81 -1.63 -1.14 114.58 118.97 3d5b h GLU 31 Ca 0.23 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 3d5b h GLU 31 Cb 0.23 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3d5b h GLU 31 CO -0.23 0.17 -0.16 0.00 -0.73 0.00 0.00 179.01 178.06 3d5b h ALA 32 N 1.53 0.28 -0.58 2.92 0.00 0.46 -3.01 119.26 120.86 3d5b h ALA 32 Ca 0.35 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 55.05 3d5b h ALA 32 Cb 0.55 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.16 3d5b h ALA 32 CO -0.44 0.18 -0.16 0.00 0.00 0.00 0.00 179.25 178.82 3d5b h ARG 33 N 0.13 -0.02 -1.00 0.00 3.08 0.17 -0.17 114.38 116.57 3d5b h ARG 33 Ca 0.04 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.10 3d5b h ARG 33 Cb 0.69 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 3d5b h ARG 33 CO 0.04 -0.01 0.66 -0.91 -1.07 0.00 0.00 179.97 178.68 3d5b h ASN 34 N -0.02 1.15 -0.51 7.04 -0.26 -1.25 -0.73 115.58 120.99 3d5b h ASN 34 Ca 0.27 -0.03 0.03 0.00 -0.56 0.00 0.00 56.30 56.02 3d5b h ASN 34 Cb 0.44 -0.29 -0.04 0.00 -1.06 0.00 0.00 38.32 37.38 3d5b h ASN 34 CO -0.60 0.83 0.29 0.40 -1.06 0.00 0.00 177.43 177.28 3d5b h ILE 35 N 1.35 1.02 0.00 2.81 2.04 -0.92 -2.26 117.51 121.55 3d5b h ILE 35 Ca 0.37 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.92 3d5b h ILE 35 Cb -0.16 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3d5b h ILE 35 CO -0.08 0.10 -0.53 -0.07 0.00 0.00 0.00 178.15 177.58 3d5b h LEU 36 N 0.57 0.00 -0.83 1.44 -0.00 -0.88 -1.40 115.31 114.22 3d5b h LEU 36 Ca 0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.05 3d5b h LEU 36 Cb 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.69 3d5b h LEU 36 CO -0.12 0.53 0.31 -0.09 -0.00 0.00 0.00 178.44 179.07 3d5b h ARG 37 N 0.00 1.18 -0.00 1.13 9.65 -0.53 -3.33 114.38 122.48 3d5b h ARG 37 Ca -0.01 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 3d5b h ARG 37 Cb 1.05 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.44 3d5b h ARG 37 CO 0.07 0.95 -0.05 0.66 2.80 0.00 0.00 179.97 184.40 3d5b n TYR 38 N -4.28 0.00 -1.72 2.20 4.01 -1.14 -5.03 117.16 111.20 3d5b n TYR 38 Ca 0.07 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.41 3d5b n TYR 38 Cb 0.19 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.24 3d5b n TYR 38 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 3d5b n THR 39 N -0.84 2.84 -3.16 -0.72 5.66 -0.53 -4.92 114.28 112.61 3d5b n THR 39 Ca 0.00 -0.50 -0.44 0.00 -3.05 0.00 0.00 64.05 60.06 3d5b n THR 39 Cb 0.02 -1.62 0.00 0.00 -1.55 0.00 0.00 70.33 67.19 3d5b n THR 39 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3d5b n ASN 40 N -0.09 5.91 -3.66 1.09 5.15 -1.26 -4.97 115.26 117.43 3d5b n ASN 40 Ca 0.07 -3.20 -0.13 0.00 -0.60 0.00 0.00 54.58 50.72 3d5b n ASN 40 Cb 0.41 -1.34 -0.06 0.00 -0.53 0.00 0.00 39.78 38.26 3d5b n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3d5b s LYS 41 N -1.83 0.92 0.14 1.20 -0.14 -1.26 -5.04 119.74 113.73 3d5b s LYS 41 Ca 0.32 -0.37 0.02 0.00 -1.36 0.00 0.00 55.97 54.57 3d5b s LYS 41 Cb -0.03 0.41 -0.09 0.00 -1.68 0.00 0.00 37.83 36.44 3d5b s LYS 41 CO 0.01 -0.32 1.32 -0.09 -0.76 0.00 0.00 175.35 175.51 3d5b h ARG 42 N 2.99 0.19 0.00 1.68 2.43 -1.95 -3.04 114.38 116.68 3d5b h ARG 42 Ca -0.31 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3d5b h ARG 42 Cb 1.21 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3d5b h ARG 42 CO 0.43 1.01 0.00 0.78 -1.51 0.00 0.00 179.97 180.69 3d5b h GLY 43 N 1.95 0.00 0.79 2.80 0.00 -1.96 -2.84 103.07 103.82 3d5b h GLY 43 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 3d5b h GLY 43 CO 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 176.54 176.31 3d5b h ALA 44 N 2.01 -0.92 -0.98 3.60 0.00 -1.91 -1.93 119.26 119.13 3d5b h ALA 44 Ca 0.00 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 54.92 3d5b h ALA 44 Cb 0.11 0.48 -0.18 0.00 0.00 0.00 0.00 17.79 18.21 3d5b h ALA 44 CO 0.00 -1.04 -0.29 -0.92 0.00 0.00 0.00 179.25 177.00 3d5b h TYR 45 N -0.89 -0.71 0.37 0.00 3.20 -1.68 0.13 116.97 117.39 3d5b h TYR 45 Ca -0.06 0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3d5b h TYR 45 Cb 0.74 0.46 0.00 0.00 1.54 0.00 0.00 36.73 39.47 3d5b h TYR 45 CO -0.12 -0.42 -0.18 0.74 -1.64 0.00 0.00 178.16 176.54 3d5b h PHE 46 N -0.00 -0.47 -1.16 -3.82 0.04 -1.68 -2.09 116.94 107.76 3d5b h PHE 46 Ca 0.43 -0.01 0.33 0.00 2.80 0.00 0.00 57.97 61.52 3d5b h PHE 46 Cb 0.68 0.15 -0.10 0.00 2.20 0.00 0.00 35.95 38.88 3d5b h PHE 46 CO -0.79 -0.25 0.75 0.28 -0.60 0.00 0.00 178.31 177.70 3d5b h VAL 47 N -1.11 0.37 0.45 -0.55 2.07 -0.99 -0.35 116.25 116.14 3d5b h VAL 47 Ca -0.05 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3d5b h VAL 47 Cb 0.42 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3d5b h VAL 47 CO 0.08 0.05 -0.22 0.00 0.02 0.00 0.00 177.57 177.50 3d5b h ALA 48 N 1.59 -0.86 -1.01 1.67 0.00 -0.75 -1.53 119.26 118.36 3d5b h ALA 48 Ca 0.67 -0.13 0.27 0.00 0.00 0.00 0.00 54.91 55.72 3d5b h ALA 48 Cb 1.96 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 19.86 3d5b h ALA 48 CO -0.31 -0.82 0.60 -0.22 0.00 0.00 0.00 179.25 178.50 3d5b h LYS 49 N -0.80 0.47 0.01 0.00 3.64 -0.37 0.40 116.57 119.92 3d5b h LYS 49 Ca -0.06 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3d5b h LYS 49 Cb 0.47 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3d5b h LYS 49 CO 0.10 0.31 -0.00 -0.24 -2.27 0.00 0.00 179.45 177.35 3d5b h VAL 50 N 0.49 1.52 -0.99 2.00 3.04 -1.36 -2.82 116.25 118.13 3d5b h VAL 50 Ca 0.67 -1.65 0.16 0.00 -1.01 0.00 0.00 66.70 64.88 3d5b h VAL 50 Cb 1.39 2.62 -0.09 0.00 -2.01 0.00 0.00 31.29 33.21 3d5b h VAL 50 CO -0.50 0.42 0.62 0.25 -1.01 0.00 0.00 177.57 177.35 3d5b h LEU 51 N -0.73 0.79 0.85 3.16 7.12 0.07 -0.51 115.31 126.06 3d5b h LEU 51 Ca -0.00 0.07 -0.04 0.00 0.13 0.00 0.00 57.88 58.04 3d5b h LEU 51 Cb 0.70 -0.08 0.01 0.00 -0.53 0.00 0.00 40.66 40.76 3d5b h LEU 51 CO 0.00 0.34 -0.41 -0.08 -0.13 0.00 0.00 178.44 178.17 3d5b h GLU 52 N 0.80 -1.10 -0.84 1.25 4.57 -0.32 -2.65 114.58 116.29 3d5b h GLU 52 Ca 0.53 0.07 0.23 0.00 -1.18 0.00 0.00 59.36 59.01 3d5b h GLU 52 Cb 0.78 0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.57 3d5b h GLU 52 CO -0.31 -0.73 0.59 1.03 -1.18 0.00 0.00 179.01 178.41 3d5b h SER 53 N -1.15 0.13 -0.96 1.04 0.87 -1.16 0.25 113.55 112.57 3d5b h SER 53 Ca -0.12 0.01 0.11 0.00 -1.23 0.00 0.00 61.79 60.56 3d5b h SER 53 Cb 0.87 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.75 3d5b h SER 53 CO 0.19 0.05 0.61 0.00 -0.53 0.00 0.00 176.83 177.15 3d5b h ALA 54 N 1.60 1.57 -0.26 6.23 0.00 -0.74 -0.59 119.26 127.08 3d5b h ALA 54 Ca 0.41 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 3d5b h ALA 54 Cb 1.43 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3d5b h ALA 54 CO -0.06 0.21 -0.19 0.00 0.00 0.00 0.00 179.25 179.21 3d5b h ALA 55 N 1.54 0.37 -0.77 0.00 0.00 -0.42 -2.24 119.26 117.74 3d5b h ALA 55 Ca 0.46 -0.35 0.13 0.00 0.00 0.00 0.00 54.91 55.15 3d5b h ALA 55 Cb 0.44 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 3d5b h ALA 55 CO -0.22 0.30 0.35 0.00 0.00 0.00 0.00 179.25 179.69 3d5b h ALA 56 N 0.70 1.10 -0.51 0.00 0.00 -0.95 0.23 119.26 119.83 3d5b h ALA 56 Ca 0.05 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3d5b h ALA 56 Cb 0.73 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3d5b h ALA 56 CO 0.05 -0.14 -0.15 -0.91 0.00 0.00 0.00 179.25 178.10 3d5b h ASN 57 N 0.53 1.02 -0.98 0.00 -0.26 -1.16 -1.55 115.58 113.18 3d5b h ASN 57 Ca 0.41 -0.36 0.08 0.00 -0.56 0.00 0.00 56.30 55.87 3d5b h ASN 57 Cb 0.57 -0.28 -0.07 0.00 -1.06 0.00 0.00 38.32 37.48 3d5b h ASN 57 CO -0.36 1.15 0.63 0.00 -1.06 0.00 0.00 177.43 177.79 3d5b h ALA 58 N 0.93 1.38 0.01 -0.83 0.00 -0.37 -2.37 119.26 118.01 3d5b h ALA 58 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3d5b h ALA 58 Cb 0.72 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3d5b h ALA 58 CO 0.06 0.38 -0.01 0.28 0.00 0.00 0.00 179.25 179.96 3d5b h VAL 59 N 1.11 0.00 0.00 0.00 2.07 -1.07 -1.40 116.25 116.95 3d5b h VAL 59 Ca 0.44 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3d5b h VAL 59 Cb 0.23 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3d5b h VAL 59 CO -0.19 0.00 0.00 0.59 0.02 0.00 0.00 177.57 177.99 3d5b n ASN 60 N -3.74 0.00 0.00 0.57 3.02 -0.60 -2.91 115.26 111.60 3d5b n ASN 60 Ca -0.00 -1.32 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 3d5b n ASN 60 Cb 0.01 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 3d5b n ASN 60 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3d5b n ASN 61 N -0.72 0.00 -0.74 6.41 5.03 -0.90 -4.92 115.26 119.43 3d5b n ASN 61 Ca 0.09 -0.79 0.00 0.00 0.87 0.00 0.00 54.58 54.75 3d5b n ASN 61 Cb 0.04 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 38.80 3d5b n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3d5b n HIS 62 N 0.00 0.00 -4.12 3.10 8.25 -1.13 -5.00 115.22 116.32 3d5b n HIS 62 Ca 0.00 -0.14 -0.31 0.00 -0.26 0.00 0.00 57.72 57.00 3d5b n HIS 62 Cb 0.20 0.06 -0.08 0.00 1.12 0.00 0.00 29.99 31.28 3d5b n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3d5b n ASP 63 N 0.09 -0.18 -4.74 0.41 5.75 -1.15 -4.88 116.55 111.86 3d5b n ASP 63 Ca -0.02 -1.10 -0.36 0.00 -0.01 0.00 0.00 54.79 53.31 3d5b n ASP 63 Cb 0.74 -1.39 -0.08 0.00 -1.03 0.00 0.00 41.12 39.35 3d5b n ASP 63 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3d5b s MET 64 N -6.67 3.28 -0.15 0.11 -1.94 -0.54 -5.01 119.30 108.38 3d5b s MET 64 Ca 0.30 -0.31 -0.23 0.00 -1.71 0.00 0.00 55.69 53.75 3d5b s MET 64 Cb -0.18 -2.99 -0.02 0.00 2.01 0.00 0.00 34.83 33.65 3d5b s MET 64 CO 0.88 0.66 0.71 -0.51 -0.01 0.00 0.00 175.02 176.76 3d5b s LEU 65 N -0.74 4.20 0.28 -0.03 1.43 -1.26 -3.89 118.68 118.67 3d5b s LEU 65 Ca 0.12 1.04 0.02 0.00 -1.03 0.00 0.00 54.13 54.28 3d5b s LEU 65 Cb -0.12 -3.05 0.67 0.00 0.03 0.00 0.00 46.19 43.73 3d5b s LEU 65 CO 0.03 -0.27 1.71 -0.08 0.23 0.00 0.00 176.35 177.97 3d5b h GLU 66 N 7.23 0.42 0.00 1.70 4.81 -1.96 -0.09 114.58 126.69 3d5b h GLU 66 Ca -0.33 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3d5b h GLU 66 Cb 1.15 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3d5b h GLU 66 CO 0.79 0.28 0.00 -0.25 -0.73 0.00 0.00 179.01 179.10 3d5b n ASP 67 N -5.02 0.00 -0.29 1.04 8.00 -1.26 -2.99 116.55 116.03 3d5b n ASP 67 Ca 0.21 -0.63 0.02 0.00 0.71 0.00 0.00 54.79 55.10 3d5b n ASP 67 Cb 0.60 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.73 3d5b n ASP 67 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3d5b n ARG 68 N -0.95 0.50 -4.56 -1.24 1.85 -0.05 -5.08 116.66 107.13 3d5b n ARG 68 Ca 0.12 -1.34 -0.31 0.00 -1.00 0.00 0.00 57.85 55.33 3d5b n ARG 68 Cb 0.06 -0.77 -0.12 0.00 -1.05 0.00 0.00 32.46 30.57 3d5b n ARG 68 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 3d5b s LEU 69 N -0.76 2.71 0.00 2.89 0.05 -1.16 -1.69 118.68 120.73 3d5b s LEU 69 Ca 0.08 -0.41 0.00 0.00 0.05 0.00 0.00 54.13 53.85 3d5b s LEU 69 Cb 0.07 -1.58 0.00 0.00 -2.05 0.00 0.00 46.19 42.63 3d5b s LEU 69 CO 0.01 0.24 0.00 0.00 -0.55 0.00 0.00 176.35 176.05 3d5b n TYR 70 N 1.40 0.00 -3.78 3.48 0.18 -1.10 -2.49 117.16 114.85 3d5b n TYR 70 Ca -0.16 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.28 3d5b n TYR 70 Cb 0.52 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.38 3d5b n TYR 70 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3d5b s VAL 71 N 1.20 3.48 0.31 -3.48 1.01 -0.61 -3.54 120.40 118.77 3d5b s VAL 71 Ca 0.00 -3.39 0.07 0.00 0.00 0.00 0.00 61.98 58.66 3d5b s VAL 71 Cb 0.00 -3.27 0.30 0.00 0.00 0.00 0.00 36.38 33.41 3d5b s VAL 71 CO 0.00 -0.92 1.75 0.50 0.00 0.00 0.00 175.10 176.44 3d5b h LYS 72 N 6.50 0.66 -1.92 2.72 1.63 -1.73 -2.81 116.57 121.62 3d5b h LYS 72 Ca 0.02 -0.04 0.24 0.00 -0.85 0.00 0.00 60.65 60.03 3d5b h LYS 72 Cb 0.89 -0.15 -0.10 0.00 -0.60 0.00 0.00 32.23 32.27 3d5b h LYS 72 CO 0.73 0.44 0.64 0.00 -3.45 0.00 0.00 179.45 177.81 3d5b s ALA 73 N -5.83 -1.93 -0.26 5.00 0.00 -1.22 -4.82 121.76 112.70 3d5b s ALA 73 Ca -0.11 0.42 -0.28 0.00 0.00 0.00 0.00 51.96 52.00 3d5b s ALA 73 Cb 0.26 0.50 0.17 0.00 0.00 0.00 0.00 23.12 24.05 3d5b s ALA 73 CO 0.80 -1.03 1.27 0.00 0.00 0.00 0.00 175.76 176.80 3d5b s ALA 74 N -2.88 -2.10 0.02 0.00 0.00 -1.26 -2.30 121.76 113.24 3d5b s ALA 74 Ca 0.13 1.77 -0.27 0.00 0.00 0.00 0.00 51.96 53.58 3d5b s ALA 74 Cb 0.01 -1.43 0.08 0.00 0.00 0.00 0.00 23.12 21.78 3d5b s ALA 74 CO -0.01 -0.21 0.73 1.52 0.00 0.00 0.00 175.76 177.79 3d5b s TYR 75 N -0.57 -0.52 0.08 0.00 1.13 0.64 -4.94 117.35 113.18 3d5b s TYR 75 Ca 0.06 0.60 0.06 0.00 -1.41 0.00 0.00 57.07 56.38 3d5b s TYR 75 Cb -0.03 0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 3d5b s TYR 75 CO -0.08 -0.66 -0.11 0.54 -2.51 0.00 0.00 175.55 172.74 3d5b s VAL 76 N -2.50 3.34 0.12 -3.49 0.11 -1.26 0.39 120.40 117.11 3d5b s VAL 76 Ca -0.02 -1.18 0.09 0.00 -2.93 0.00 0.00 61.98 57.93 3d5b s VAL 76 Cb -0.01 -2.53 -0.04 0.00 -1.53 0.00 0.00 36.38 32.28 3d5b s VAL 76 CO -0.03 0.18 -0.21 -0.62 -3.33 0.00 0.00 175.10 171.09 3d5b s ASP 77 N -1.99 2.65 -0.18 3.54 -1.08 0.59 -4.94 116.67 115.26 3d5b s ASP 77 Ca 0.20 -0.74 -0.19 0.00 -0.52 0.00 0.00 52.55 51.30 3d5b s ASP 77 Cb -0.11 -0.15 -0.03 0.00 -1.46 0.00 0.00 42.92 41.17 3d5b s ASP 77 CO 0.12 0.05 0.54 -0.70 0.52 0.00 0.00 175.17 175.69 3d5b s GLU 78 N -2.15 4.23 0.33 4.34 2.12 -1.26 0.79 118.70 127.10 3d5b s GLU 78 Ca 0.10 0.47 0.04 0.00 0.36 0.00 0.00 54.97 55.93 3d5b s GLU 78 Cb -0.09 -3.54 0.04 0.00 0.26 0.00 0.00 34.13 30.80 3d5b s GLU 78 CO 0.05 -0.11 0.32 0.41 -0.54 0.00 0.00 175.26 175.39 3d5b n GLY 79 N 3.75 2.56 3.63 -1.50 0.00 -1.14 -4.88 105.19 107.59 3d5b n GLY 79 Ca -0.04 -2.23 -0.45 0.00 0.00 0.00 0.00 46.02 43.30 3d5b n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3d5b n PRO 80 N -1.43 1.62 -3.75 1.61 -0.04 -1.26 -4.14 135.00 127.61 3d5b n PRO 80 Ca 0.02 0.57 -0.32 0.00 -0.04 0.00 0.00 63.50 63.73 3d5b n PRO 80 Cb 0.36 -2.05 -0.05 0.00 -0.04 0.00 0.00 33.50 31.73 3d5b n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d5b s ALA 81 N -0.83 3.86 -0.74 0.55 0.00 -1.26 -3.69 121.76 119.64 3d5b s ALA 81 Ca 0.61 -0.63 -0.16 0.00 0.00 0.00 0.00 51.96 51.78 3d5b s ALA 81 Cb -0.68 -2.04 0.17 0.00 0.00 0.00 0.00 23.12 20.58 3d5b s ALA 81 CO 0.58 0.71 0.74 -0.51 0.00 0.00 0.00 175.76 177.28 3d5b s LEU 82 N -2.43 6.25 0.39 0.00 1.02 -0.53 -4.97 118.68 118.41 3d5b s LEU 82 Ca 0.37 -2.24 -0.26 0.00 0.02 0.00 0.00 54.13 52.02 3d5b s LEU 82 Cb -0.13 -2.24 -0.09 0.00 0.02 0.00 0.00 46.19 43.75 3d5b s LEU 82 CO 0.24 -0.77 1.22 -0.54 0.02 0.00 0.00 176.35 176.52 3d5b s LYS 83 N 1.12 4.08 0.34 1.70 1.02 -1.26 -2.72 119.74 124.02 3d5b s LYS 83 Ca 0.15 1.96 0.07 0.00 0.02 0.00 0.00 55.97 58.17 3d5b s LYS 83 Cb -0.16 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 3d5b s LYS 83 CO -0.04 -0.33 0.26 0.54 -0.92 0.00 0.00 175.35 174.85 3d5b n ARG 84 N 0.20 0.43 -4.08 1.68 5.12 -0.55 -4.97 116.66 114.50 3d5b n ARG 84 Ca 0.03 -3.35 -0.26 0.00 -1.93 0.00 0.00 57.85 52.34 3d5b n ARG 84 Cb 0.45 2.60 -0.05 0.00 -1.16 0.00 0.00 32.46 34.30 3d5b n ARG 84 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3d5b s VAL 85 N -3.31 4.52 -0.27 1.55 -7.23 -1.26 -2.75 120.40 111.64 3d5b s VAL 85 Ca 0.37 -1.07 -0.03 0.00 -1.81 0.00 0.00 61.98 59.44 3d5b s VAL 85 Cb 0.02 -3.31 0.11 0.00 0.56 0.00 0.00 36.38 33.76 3d5b s VAL 85 CO 0.26 -0.11 0.21 -0.22 -0.31 0.00 0.00 175.10 174.93 3d5b s LEU 86 N -3.12 0.11 0.22 1.32 2.96 -0.15 -4.71 118.68 115.31 3d5b s LEU 86 Ca 0.31 -0.87 -0.32 0.00 -0.22 0.00 0.00 54.13 53.03 3d5b s LEU 86 Cb -0.10 0.12 -0.14 0.00 0.50 0.00 0.00 46.19 46.57 3d5b s LEU 86 CO 0.24 -0.40 1.35 -2.65 -1.32 0.00 0.00 176.35 173.57 3d5b n PRO 87 N 5.29 1.81 -4.08 0.98 -0.02 -1.26 -2.74 135.00 134.97 3d5b n PRO 87 Ca -0.04 0.65 -0.07 0.00 -2.02 0.00 0.00 63.50 62.01 3d5b n PRO 87 Cb 0.45 -2.27 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 3d5b n PRO 87 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3d5b s ARG 88 N -0.34 0.60 0.97 -0.52 6.06 -0.08 -4.97 118.95 120.68 3d5b s ARG 88 Ca 0.70 -1.19 -0.14 0.00 -2.50 0.00 0.00 55.73 52.60 3d5b s ARG 88 Cb -0.70 0.21 0.01 0.00 0.06 0.00 0.00 34.95 34.52 3d5b s ARG 88 CO 0.50 -0.11 0.13 0.00 -2.50 0.00 0.00 175.30 173.32 3d5b n ALA 89 N 0.17 -3.29 -1.44 6.12 0.00 -1.26 -1.84 120.51 118.97 3d5b n ALA 89 Ca -0.14 -0.69 -0.09 0.00 0.00 0.00 0.00 53.44 52.52 3d5b n ALA 89 Cb 0.61 -1.64 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 3d5b n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3d5b n ARG 90 N -0.93 -1.38 -2.78 0.00 1.74 -1.26 -2.39 116.66 109.65 3d5b n ARG 90 Ca 0.05 0.51 -0.05 0.00 -0.77 0.00 0.00 57.85 57.58 3d5b n ARG 90 Cb 0.55 -4.73 0.02 0.00 -1.02 0.00 0.00 32.46 27.28 3d5b n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d5b n GLY 91 N -0.25 -0.89 3.32 -0.13 0.00 -0.77 -5.05 105.19 101.43 3d5b n GLY 91 Ca -0.09 0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 3d5b n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d5b s ARG 92 N -3.48 2.27 -0.14 1.61 0.52 -0.96 -4.96 118.95 113.81 3d5b s ARG 92 Ca 0.16 -0.89 -0.02 0.00 -0.52 0.00 0.00 55.73 54.46 3d5b s ARG 92 Cb -0.02 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.31 3d5b s ARG 92 CO 0.58 0.53 -0.08 0.00 0.02 0.00 0.00 175.30 176.34 3d5b s ALA 93 N -0.52 2.82 0.05 2.13 0.00 -1.26 -0.90 121.76 124.08 3d5b s ALA 93 Ca 0.07 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.23 3d5b s ALA 93 Cb -0.11 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.62 3d5b s ALA 93 CO 0.00 0.26 -0.15 -0.51 0.00 0.00 0.00 175.76 175.36 3d5b s ASP 94 N 0.25 1.79 -0.43 0.00 -0.00 -1.11 -4.91 116.67 112.26 3d5b s ASP 94 Ca -0.06 -0.49 -0.22 0.00 -0.00 0.00 0.00 52.55 51.78 3d5b s ASP 94 Cb -0.15 -0.11 0.02 0.00 -0.00 0.00 0.00 42.92 42.68 3d5b s ASP 94 CO 0.04 0.03 0.73 0.27 -0.00 0.00 0.00 175.17 176.24 3d5b s ILE 95 N -0.91 4.73 0.03 0.77 -4.36 -1.26 -0.98 121.20 119.23 3d5b s ILE 95 Ca 0.02 0.36 -0.28 0.00 -0.26 0.00 0.00 60.65 60.48 3d5b s ILE 95 Cb -0.08 -4.26 -0.04 0.00 1.25 0.00 0.00 42.46 39.33 3d5b s ILE 95 CO 0.02 -0.63 0.90 -0.51 0.24 0.00 0.00 174.94 174.95 3d5b s ILE 96 N 3.08 4.76 -0.77 8.37 1.10 -1.11 -4.83 121.20 131.80 3d5b s ILE 96 Ca 0.27 1.91 -0.03 0.00 -0.51 0.00 0.00 60.65 62.28 3d5b s ILE 96 Cb -0.13 -4.25 0.19 0.00 0.15 0.00 0.00 42.46 38.43 3d5b s ILE 96 CO 0.21 0.25 0.63 -0.75 -2.11 0.00 0.00 174.94 173.17 3d5b s LYS 97 N 0.50 3.00 -0.93 3.50 2.20 -1.26 -1.48 119.74 125.26 3d5b s LYS 97 Ca 0.46 -2.87 -0.24 0.00 -0.36 0.00 0.00 55.97 52.96 3d5b s LYS 97 Cb -0.21 -3.90 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 3d5b s LYS 97 CO 0.26 -1.23 1.68 0.15 -0.36 0.00 0.00 175.35 175.86 3d5b s LYS 98 N -0.64 3.07 1.04 4.03 1.02 -1.10 -4.87 119.74 122.29 3d5b s LYS 98 Ca 0.22 -0.63 -0.14 0.00 0.02 0.00 0.00 55.97 55.44 3d5b s LYS 98 Cb -0.13 -5.12 0.21 0.00 -0.52 0.00 0.00 37.83 32.26 3d5b s LYS 98 CO -0.08 -2.75 1.10 1.03 -0.92 0.00 0.00 175.35 173.74 3d5b s ARG 99 N 6.01 0.06 0.41 1.68 0.52 -1.26 -1.45 118.95 124.92 3d5b s ARG 99 Ca 0.57 0.33 0.03 0.00 -0.52 0.00 0.00 55.73 56.13 3d5b s ARG 99 Cb -0.04 -1.71 -0.01 0.00 0.52 0.00 0.00 34.95 33.71 3d5b s ARG 99 CO -0.03 -2.94 0.10 -2.37 0.02 0.00 0.00 175.30 170.08 3d5b n THR 100 N -4.29 0.00 -3.89 0.02 5.66 -1.24 -3.37 114.28 107.17 3d5b n THR 100 Ca 0.07 -2.25 -0.11 0.00 -3.05 0.00 0.00 64.05 58.72 3d5b n THR 100 Cb 0.58 0.71 -0.11 0.00 -1.55 0.00 0.00 70.33 69.97 3d5b n THR 100 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3d5b s SER 101 N -3.43 0.05 -0.48 1.09 0.01 -0.84 -2.90 113.70 107.20 3d5b s SER 101 Ca 0.14 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.24 3d5b s SER 101 Cb 0.01 0.19 0.12 0.00 0.21 0.00 0.00 66.02 66.55 3d5b s SER 101 CO 0.10 -0.29 0.23 -1.00 0.41 0.00 0.00 173.24 172.69 3d5b s HIS 102 N -1.11 3.43 -0.53 2.43 3.76 0.24 -2.37 115.29 121.14 3d5b s HIS 102 Ca -0.12 -2.96 -0.28 0.00 -0.15 0.00 0.00 55.06 51.54 3d5b s HIS 102 Cb -0.07 -2.96 0.03 0.00 1.11 0.00 0.00 32.58 30.69 3d5b s HIS 102 CO 0.01 -0.84 1.15 0.42 -0.85 0.00 0.00 174.74 174.62 3d5b s ILE 103 N 0.24 4.14 -0.40 0.60 1.09 -1.18 -0.30 121.20 125.38 3d5b s ILE 103 Ca 0.14 1.02 -0.15 0.00 -1.10 0.00 0.00 60.65 60.56 3d5b s ILE 103 Cb -0.23 -4.65 0.02 0.00 -1.06 0.00 0.00 42.46 36.54 3d5b s ILE 103 CO -0.03 -1.16 0.29 -0.89 -0.10 0.00 0.00 174.94 173.04 3d5b s THR 104 N 4.64 5.19 -0.12 2.92 2.01 0.16 -1.96 115.64 128.48 3d5b s THR 104 Ca 0.44 -0.67 -0.00 0.00 0.31 0.00 0.00 61.69 61.77 3d5b s THR 104 Cb -0.08 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 3d5b s THR 104 CO 0.28 -0.30 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.12 3d5b s VAL 105 N 1.67 3.25 0.01 3.82 1.01 -0.79 -0.26 120.40 129.11 3d5b s VAL 105 Ca 0.05 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.46 3d5b s VAL 105 Cb -0.19 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 3d5b s VAL 105 CO 0.10 0.53 -0.11 0.27 0.00 0.00 0.00 175.10 175.89 3d5b s ILE 106 N 0.12 0.88 0.00 2.22 -4.36 -0.97 -1.38 121.20 117.70 3d5b s ILE 106 Ca -0.05 -0.62 0.00 0.00 -0.26 0.00 0.00 60.65 59.72 3d5b s ILE 106 Cb -0.15 -0.76 0.00 0.00 1.25 0.00 0.00 42.46 42.80 3d5b s ILE 106 CO 0.04 0.14 0.00 0.18 0.24 0.00 0.00 174.94 175.54 3d5b n LEU 107 N 2.52 0.00 0.00 0.37 4.32 -0.60 -3.29 117.00 120.33 3d5b n LEU 107 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 3d5b n LEU 107 Cb 0.56 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 3d5b n LEU 107 CO 0.24 -0.08 0.00 0.61 -1.22 0.00 0.00 177.39 176.94 3d5b n GLY 108 N 5.00 1.77 3.77 -0.72 0.00 -1.23 -3.55 105.19 110.23 3d5b n GLY 108 Ca 0.00 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 3d5b n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d5b s GLU 109 N -2.00 3.70 0.00 1.61 0.41 -1.24 -2.70 118.70 118.48 3d5b s GLU 109 Ca 0.00 1.74 0.00 0.00 -0.41 0.00 0.00 54.97 56.30 3d5b s GLU 109 Cb 0.00 -2.34 0.00 0.00 -1.78 0.00 0.00 34.13 30.01 3d5b s GLU 109 CO 0.00 -0.59 0.00 1.17 -0.49 0.00 0.00 175.26 175.35 3d5b n LYS 110 N -0.61 0.00 0.00 1.61 3.00 -0.68 -4.89 118.16 116.59 3d5b n LYS 110 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 3d5b n LYS 110 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.52 3d5b n LYS 110 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 3d5b n HIS 111 N 0.00 0.00 -1.68 5.64 1.44 -1.26 -5.11 115.22 114.25 3d5b n HIS 111 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3d5b n HIS 111 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3d5b n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94