#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1b n GLU 2 N 0.00 0.00 -3.64 2.12 -0.58 -1.26 -2.18 120.64 115.10 3e1b n GLU 2 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 3e1b n GLU 2 Cb 0.00 -0.15 -0.07 0.00 -0.57 0.00 0.00 31.44 30.65 3e1b n GLU 2 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3e1b s THR 3 N 0.00 0.00 -0.09 2.62 -1.32 -1.26 -4.97 115.64 110.62 3e1b s THR 3 Ca 0.00 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.64 3e1b s THR 3 Cb 0.00 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.31 3e1b s THR 3 CO 0.00 0.00 1.16 -0.38 -2.21 0.00 0.00 174.62 173.19 3e1b n ILE 4 N 3.28 0.23 -0.78 5.08 5.41 -1.26 -3.19 119.36 128.13 3e1b n ILE 4 Ca -0.16 -1.07 -0.34 0.00 1.00 0.00 0.00 62.75 62.18 3e1b n ILE 4 Cb 0.57 0.92 -0.05 0.00 -0.71 0.00 0.00 39.64 40.36 3e1b n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3e1b n ALA 5 N -0.10 2.81 -0.13 -1.39 0.00 -1.26 -4.78 120.51 115.65 3e1b n ALA 5 Ca -0.06 -2.50 0.27 0.00 0.00 0.00 0.00 53.44 51.15 3e1b n ALA 5 Cb 0.92 -3.39 0.72 0.00 0.00 0.00 0.00 19.45 17.71 3e1b n ALA 5 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3e1b h LYS 6 N 8.01 0.00 -4.00 0.00 1.57 -1.92 -3.44 116.57 116.80 3e1b h LYS 6 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3e1b h LYS 6 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3e1b h LYS 6 CO 1.75 0.00 -0.99 0.72 -0.57 0.00 0.00 179.45 180.36 3e1b n HIS 7 N -4.09 -4.69 -4.18 -1.35 8.25 -1.26 -1.86 115.22 106.04 3e1b n HIS 7 Ca 0.17 2.51 -0.29 0.00 -0.26 0.00 0.00 57.72 59.84 3e1b n HIS 7 Cb 0.94 -3.73 -0.09 0.00 1.12 0.00 0.00 29.99 28.23 3e1b n HIS 7 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3e1b s ARG 8 N -4.07 2.33 0.00 -0.41 3.00 -1.26 -4.14 118.95 114.40 3e1b s ARG 8 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 55.73 54.77 3e1b s ARG 8 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 34.95 32.54 3e1b s ARG 8 CO 0.00 0.51 0.01 -2.39 0.00 0.00 0.00 175.30 173.43 3e1b n HIS 9 N 0.52 0.00 -1.46 -0.53 1.44 -1.26 -5.11 115.22 108.81 3e1b n HIS 9 Ca -0.12 0.00 0.19 0.00 -2.01 0.00 0.00 57.72 55.78 3e1b n HIS 9 Cb 0.53 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.57 3e1b n HIS 9 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3e1b n ALA 10 N -0.06 -3.83 -0.01 1.59 0.00 -1.26 -0.89 120.51 116.06 3e1b n ALA 10 Ca 0.00 0.72 0.02 0.00 0.00 0.00 0.00 53.44 54.18 3e1b n ALA 10 Cb 0.06 -1.47 -0.12 0.00 0.00 0.00 0.00 19.45 17.92 3e1b n ALA 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3e1b n ARG 11 N -4.32 0.65 -1.88 0.00 0.63 -1.26 -4.74 116.66 105.74 3e1b n ARG 11 Ca -0.04 0.03 -0.31 0.00 -0.92 0.00 0.00 57.85 56.60 3e1b n ARG 11 Cb 0.69 -1.65 0.01 0.00 0.45 0.00 0.00 32.46 31.96 3e1b n ARG 11 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3e1b s SER 12 N -5.28 6.11 0.69 6.15 0.01 -1.26 -4.82 113.70 115.29 3e1b s SER 12 Ca -0.06 1.48 -0.16 0.00 1.31 0.00 0.00 55.95 58.52 3e1b s SER 12 Cb 0.10 -2.48 0.02 0.00 0.21 0.00 0.00 66.02 63.86 3e1b s SER 12 CO 0.84 -0.95 1.21 -0.55 0.41 0.00 0.00 173.24 174.20 3e1b s SER 13 N -3.94 4.51 0.56 2.44 0.15 -1.26 -3.75 113.70 112.40 3e1b s SER 13 Ca 0.56 2.36 0.32 0.00 0.70 0.00 0.00 55.95 59.89 3e1b s SER 13 Cb -0.12 -2.59 1.63 0.00 -1.71 0.00 0.00 66.02 63.23 3e1b s SER 13 CO 0.51 -2.05 2.11 0.00 1.20 0.00 0.00 173.24 175.02 3e1b h ALA 14 N 0.06 1.18 0.59 5.45 0.00 -1.91 -2.96 119.26 121.67 3e1b h ALA 14 Ca -0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3e1b h ALA 14 Cb 1.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3e1b h ALA 14 CO 0.51 0.09 -0.42 1.96 0.00 0.00 0.00 179.25 181.40 3e1b h GLN 15 N 0.00 -0.94 -0.71 0.00 1.08 -1.95 0.68 115.11 113.26 3e1b h GLN 15 Ca -0.00 0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 3e1b h GLN 15 Cb 0.30 0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.91 3e1b h GLN 15 CO 0.01 -0.63 0.32 -0.22 -0.95 0.00 0.00 178.83 177.36 3e1b h LYS 16 N -0.98 1.03 -0.58 1.46 3.64 -1.94 -2.67 116.57 116.53 3e1b h LYS 16 Ca -0.07 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.06 3e1b h LYS 16 Cb 0.81 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3e1b h LYS 16 CO 0.04 0.81 -0.00 0.28 -2.27 0.00 0.00 179.45 178.31 3e1b h VAL 17 N 1.02 1.26 -0.43 2.00 2.07 -1.39 -3.22 116.25 117.56 3e1b h VAL 17 Ca 0.24 -1.13 -0.15 0.00 0.82 0.00 0.00 66.70 66.49 3e1b h VAL 17 Cb 0.14 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3e1b h VAL 17 CO -0.03 0.41 -0.32 -0.09 0.02 0.00 0.00 177.57 177.56 3e1b h ARG 18 N 0.92 0.97 -5.14 1.57 2.43 -0.77 -3.41 114.38 110.96 3e1b h ARG 18 Ca 0.17 -0.47 -0.02 0.00 -0.81 0.00 0.00 59.98 58.85 3e1b h ARG 18 Cb 0.54 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3e1b h ARG 18 CO 0.03 1.14 0.21 1.28 -1.51 0.00 0.00 179.97 181.12 3e1b n LEU 19 N -4.08 0.95 0.00 3.80 4.32 -1.02 -1.90 117.00 119.08 3e1b n LEU 19 Ca -0.01 -2.02 0.00 0.00 -0.02 0.00 0.00 56.01 53.96 3e1b n LEU 19 Cb 0.51 -1.54 0.00 0.00 -1.62 0.00 0.00 43.42 40.78 3e1b n LEU 19 CO 0.48 -3.09 0.00 0.55 -1.22 0.00 0.00 177.39 174.11 3e1b n VAL 20 N 8.37 0.00 -0.19 4.08 3.14 -1.26 -4.78 118.33 127.69 3e1b n VAL 20 Ca 0.39 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.76 3e1b n VAL 20 Cb 0.45 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 33.28 3e1b n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3e1b h ALA 21 N 0.00 0.39 -0.67 1.55 0.00 -1.66 -1.91 119.26 116.96 3e1b h ALA 21 Ca 0.00 0.22 0.20 0.00 0.00 0.00 0.00 54.91 55.33 3e1b h ALA 21 Cb 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3e1b h ALA 21 CO 0.00 -0.43 0.61 -0.44 0.00 0.00 0.00 179.25 178.99 3e1b h ASP 22 N 0.01 0.00 0.55 0.00 3.32 -1.85 -2.67 116.42 115.77 3e1b h ASP 22 Ca 0.28 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 3e1b h ASP 22 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3e1b h ASP 22 CO -0.59 0.00 -0.21 -0.07 -1.72 0.00 0.00 179.24 176.65 3e1b h LEU 23 N 0.00 0.00 -1.28 1.55 -0.00 -1.76 -3.21 115.31 110.61 3e1b h LEU 23 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.20 3e1b h LEU 23 Cb 1.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.19 3e1b h LEU 23 CO -0.00 0.21 -0.20 -0.38 -0.00 0.00 0.00 178.44 178.07 3e1b n ILE 24 N -3.64 0.00 -1.69 1.22 2.08 -1.01 -4.92 119.36 111.40 3e1b n ILE 24 Ca -0.01 -0.40 -0.44 0.00 0.56 0.00 0.00 62.75 62.46 3e1b n ILE 24 Cb 0.34 1.29 -0.03 0.00 -0.75 0.00 0.00 39.64 40.49 3e1b n ILE 24 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3e1b n ARG 25 N 0.43 2.19 0.00 0.38 1.74 -1.21 -4.38 116.66 115.80 3e1b n ARG 25 Ca 0.09 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 3e1b n ARG 25 Cb 0.41 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.38 3e1b n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3e1b n GLY 26 N 2.27 2.08 0.43 -0.13 0.00 -0.97 -4.46 105.19 104.42 3e1b n GLY 26 Ca 0.11 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.82 3e1b n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3e1b n LYS 27 N 0.00 0.12 0.00 1.61 4.81 -1.26 -4.75 118.16 118.69 3e1b n LYS 27 Ca 0.00 -1.10 0.00 0.00 -0.87 0.00 0.00 58.31 56.34 3e1b n LYS 27 Cb 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 35.03 34.47 3e1b n LYS 27 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3e1b n LYS 28 N -0.12 0.45 0.20 1.64 3.00 -1.26 -4.86 118.16 117.21 3e1b n LYS 28 Ca 0.01 -0.19 0.12 0.00 -0.00 0.00 0.00 58.31 58.25 3e1b n LYS 28 Cb 0.68 -0.63 0.68 0.00 0.00 0.00 0.00 35.03 35.76 3e1b n LYS 28 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 3e1b h VAL 29 N 0.38 0.88 -0.15 3.15 3.04 -1.86 -2.63 116.25 119.06 3e1b h VAL 29 Ca 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 3e1b h VAL 29 Cb 0.19 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 30.39 3e1b h VAL 29 CO 0.00 0.00 -0.05 -1.28 -1.01 0.00 0.00 177.57 175.23 3e1b h SER 30 N 0.00 0.21 -0.71 3.17 0.87 -1.86 -3.34 113.55 111.89 3e1b h SER 30 Ca 0.06 -0.03 -0.32 0.00 -1.23 0.00 0.00 61.79 60.27 3e1b h SER 30 Cb 0.26 -0.05 -0.24 0.00 -0.44 0.00 0.00 62.40 61.93 3e1b h SER 30 CO -0.00 0.29 -0.72 0.00 -0.53 0.00 0.00 176.83 175.88 3e1b n GLN 31 N -4.35 1.02 0.12 2.24 6.02 -1.13 -5.03 117.38 116.27 3e1b n GLN 31 Ca -0.01 -2.46 0.00 0.00 -0.01 0.00 0.00 57.00 54.53 3e1b n GLN 31 Cb 0.20 -1.20 0.02 0.00 1.02 0.00 0.00 30.24 30.28 3e1b n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3e1b h ALA 32 N 2.94 0.63 0.05 -1.58 0.00 -1.60 -3.35 119.26 116.34 3e1b h ALA 32 Ca -0.04 -0.56 -0.27 0.00 0.00 0.00 0.00 54.91 54.04 3e1b h ALA 32 Cb 1.07 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.78 3e1b h ALA 32 CO 0.26 0.77 -1.09 -0.07 0.00 0.00 0.00 179.25 179.11 3e1b h LEU 33 N 0.00 0.75 0.45 0.00 4.07 -1.93 -3.37 115.31 115.27 3e1b h LEU 33 Ca -0.01 -0.64 -0.01 0.00 0.08 0.00 0.00 57.88 57.30 3e1b h LEU 33 Cb 1.43 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.91 3e1b h LEU 33 CO 0.08 1.45 -0.51 0.44 -1.08 0.00 0.00 178.44 178.82 3e1b h ASP 34 N 0.28 -1.41 -0.28 -0.43 5.19 -1.99 0.13 116.42 117.92 3e1b h ASP 34 Ca -0.13 0.12 0.08 0.00 -0.62 0.00 0.00 57.03 56.48 3e1b h ASP 34 Cb 1.75 0.47 -0.01 0.00 0.18 0.00 0.00 39.33 41.72 3e1b h ASP 34 CO 0.20 -0.65 0.41 -0.29 -3.12 0.00 0.00 179.24 175.79 3e1b h ILE 35 N -0.97 0.26 0.01 0.35 6.09 -1.85 -2.38 117.51 119.02 3e1b h ILE 35 Ca -0.05 0.00 -0.40 0.00 -1.37 0.00 0.00 64.86 63.04 3e1b h ILE 35 Cb 0.86 0.65 -0.07 0.00 0.47 0.00 0.00 36.82 38.73 3e1b h ILE 35 CO -0.09 0.00 -2.45 0.18 -3.07 0.00 0.00 178.15 172.72 3e1b n LEU 36 N -3.46 2.85 0.03 2.19 4.77 -0.79 -3.75 117.00 118.85 3e1b n LEU 36 Ca 0.04 -0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 3e1b n LEU 36 Cb 0.54 -0.91 -0.13 0.00 -2.33 0.00 0.00 43.42 40.59 3e1b n LEU 36 CO 0.23 0.90 -0.17 0.00 -1.33 0.00 0.00 177.39 177.01 3e1b h THR 37 N -0.10 1.32 -0.01 -5.08 1.03 -0.69 -3.33 112.91 106.05 3e1b h THR 37 Ca -0.58 -3.06 0.00 0.00 -0.01 0.00 0.00 66.41 62.75 3e1b h THR 37 Cb 1.88 2.69 0.00 0.00 -1.07 0.00 0.00 68.15 71.65 3e1b h THR 37 CO -0.11 0.78 -0.01 -1.22 -0.01 0.00 0.00 175.52 174.95 3e1b n TYR 38 N -3.27 0.00 -2.71 0.00 4.01 -0.90 -3.71 117.16 110.58 3e1b n TYR 38 Ca -0.09 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.30 3e1b n TYR 38 Cb 1.00 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 40.02 3e1b n TYR 38 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3e1b n THR 39 N -0.17 4.79 -1.39 -0.72 -1.04 -1.25 -5.05 114.28 109.46 3e1b n THR 39 Ca 0.20 -5.73 -0.42 0.00 -2.04 0.00 0.00 64.05 56.06 3e1b n THR 39 Cb 0.29 -1.47 -0.03 0.00 -1.82 0.00 0.00 70.33 67.30 3e1b n THR 39 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3e1b n ASN 40 N -0.17 3.33 -4.72 8.00 2.85 -1.24 -4.63 115.26 118.68 3e1b n ASN 40 Ca 0.41 -2.73 -0.28 0.00 -0.11 0.00 0.00 54.58 51.87 3e1b n ASN 40 Cb 0.32 -1.36 -0.07 0.00 1.24 0.00 0.00 39.78 39.91 3e1b n ASN 40 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3e1b s LYS 41 N 4.11 2.65 0.00 1.20 1.02 -1.26 -4.96 119.74 122.49 3e1b s LYS 41 Ca 0.53 -0.88 0.05 0.00 0.02 0.00 0.00 55.97 55.68 3e1b s LYS 41 Cb 0.14 -2.55 0.27 0.00 -0.52 0.00 0.00 37.83 35.17 3e1b s LYS 41 CO 0.02 0.51 0.80 1.17 -0.92 0.00 0.00 175.35 176.93 3e1b n LYS 42 N 0.19 0.13 -0.03 1.68 4.81 -1.26 -1.06 118.16 122.61 3e1b n LYS 42 Ca -0.10 0.05 -0.02 0.00 -0.87 0.00 0.00 58.31 57.37 3e1b n LYS 42 Cb 0.53 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.08 3e1b n LYS 42 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3e1b h ALA 43 N 2.28 0.00 -0.13 3.14 0.00 -1.89 -3.38 119.26 119.28 3e1b h ALA 43 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.60 3e1b h ALA 43 Cb 0.01 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3e1b h ALA 43 CO 0.00 0.21 0.06 0.00 0.00 0.00 0.00 179.25 179.52 3e1b h ALA 44 N -1.50 0.15 -0.82 0.00 0.00 -1.59 -0.76 119.26 114.74 3e1b h ALA 44 Ca 0.00 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.05 3e1b h ALA 44 Cb 0.21 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3e1b h ALA 44 CO 0.00 -0.39 0.53 0.28 0.00 0.00 0.00 179.25 179.68 3e1b h VAL 45 N 0.13 0.85 -0.04 0.00 2.07 -1.20 0.23 116.25 118.29 3e1b h VAL 45 Ca 0.05 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3e1b h VAL 45 Cb 0.01 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3e1b h VAL 45 CO -0.04 0.11 -0.05 0.25 0.02 0.00 0.00 177.57 177.86 3e1b h LEU 46 N 0.61 0.12 -1.66 2.57 6.46 -1.58 -1.57 115.31 120.25 3e1b h LEU 46 Ca 0.40 -0.50 0.04 0.00 -0.12 0.00 0.00 57.88 57.70 3e1b h LEU 46 Cb 0.69 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 3e1b h LEU 46 CO -0.16 0.60 0.29 0.58 -0.62 0.00 0.00 178.44 179.13 3e1b h VAL 47 N -0.36 1.01 0.04 1.05 2.07 -0.77 0.87 116.25 120.17 3e1b h VAL 47 Ca 0.01 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3e1b h VAL 47 Cb 0.56 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3e1b h VAL 47 CO 0.01 0.08 -0.03 0.50 0.02 0.00 0.00 177.57 178.16 3e1b h LYS 48 N 0.44 -0.06 -0.31 1.57 3.11 -0.51 -1.01 116.57 119.79 3e1b h LYS 48 Ca 0.18 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 58.07 3e1b h LYS 48 Cb 0.17 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.40 3e1b h LYS 48 CO -0.04 -0.04 0.21 -0.22 -2.81 0.00 0.00 179.45 176.55 3e1b h LYS 49 N -0.06 0.24 0.18 1.90 1.63 -1.05 -0.31 116.57 119.10 3e1b h LYS 49 Ca -0.01 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3e1b h LYS 49 Cb 0.05 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 3e1b h LYS 49 CO 0.01 0.16 -0.35 0.28 -3.45 0.00 0.00 179.45 176.09 3e1b h VAL 50 N 0.25 0.00 -0.66 2.00 2.07 -0.87 -1.36 116.25 117.68 3e1b h VAL 50 Ca 0.13 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.76 3e1b h VAL 50 Cb 0.23 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.92 3e1b h VAL 50 CO -0.03 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 177.75 3e1b h LEU 51 N -0.58 0.25 0.28 2.57 3.38 0.29 0.26 115.31 121.76 3e1b h LEU 51 Ca -0.02 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3e1b h LEU 51 Cb 0.55 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3e1b h LEU 51 CO -0.14 0.14 -0.33 -0.33 0.09 0.00 0.00 178.44 177.87 3e1b h GLU 52 N 0.43 -0.63 -0.71 1.13 5.08 -1.19 0.58 114.58 119.28 3e1b h GLU 52 Ca 0.34 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.85 3e1b h GLU 52 Cb 0.44 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.76 3e1b h GLU 52 CO -0.33 -0.42 0.32 0.77 -1.00 0.00 0.00 179.01 178.35 3e1b h SER 53 N -0.65 0.37 0.33 1.42 0.02 -0.63 -1.60 113.55 112.82 3e1b h SER 53 Ca -0.01 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3e1b h SER 53 Cb 0.61 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3e1b h SER 53 CO -0.09 0.20 -0.16 0.00 -1.14 0.00 0.00 176.83 175.64 3e1b h ALA 54 N 1.46 -0.45 0.00 3.77 0.00 -0.73 -3.27 119.26 120.05 3e1b h ALA 54 Ca 0.36 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 3e1b h ALA 54 Cb 0.45 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3e1b h ALA 54 CO -0.31 -0.56 -0.95 0.97 0.00 0.00 0.00 179.25 178.40 3e1b h ILE 55 N -0.83 1.10 -0.00 0.00 2.10 -0.93 -2.75 117.51 116.19 3e1b h ILE 55 Ca -0.05 -2.65 0.00 0.00 1.08 0.00 0.00 64.86 63.25 3e1b h ILE 55 Cb 0.52 2.51 -0.00 0.00 -1.09 0.00 0.00 36.82 38.76 3e1b h ILE 55 CO 0.08 0.62 0.00 0.00 -1.08 0.00 0.00 178.15 177.77 3e1b h ALA 56 N 1.26 1.91 0.35 0.18 0.00 -1.44 -3.07 119.26 118.46 3e1b h ALA 56 Ca -0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3e1b h ALA 56 Cb 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3e1b h ALA 56 CO 0.09 -0.00 -0.17 -0.97 0.00 0.00 0.00 179.25 178.19 3e1b h ASN 57 N 0.00 -0.40 -0.96 0.00 -0.73 -1.60 -3.40 115.58 108.49 3e1b h ASN 57 Ca 0.00 0.01 0.09 0.00 1.87 0.00 0.00 56.30 58.27 3e1b h ASN 57 Cb 0.00 0.10 -0.12 0.00 0.27 0.00 0.00 38.32 38.58 3e1b h ASN 57 CO -0.00 -0.07 -0.57 0.00 -0.37 0.00 0.00 177.43 176.42 3e1b n ALA 58 N -2.57 -0.62 -0.27 1.57 0.00 -1.04 -0.01 120.51 117.57 3e1b n ALA 58 Ca -0.06 0.82 0.07 0.00 0.00 0.00 0.00 53.44 54.27 3e1b n ALA 58 Cb 0.19 -0.12 0.22 0.00 0.00 0.00 0.00 19.45 19.74 3e1b n ALA 58 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3e1b h GLU 59 N 0.00 0.42 0.49 0.00 -0.00 -1.80 -1.38 114.58 112.31 3e1b h GLU 59 Ca 0.15 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.36 59.46 3e1b h GLU 59 Cb 0.40 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 29.05 3e1b h GLU 59 CO -0.91 0.28 -0.23 0.45 -0.00 0.00 0.00 179.01 178.60 3e1b h HIS 60 N 0.44 -0.61 -0.64 2.06 3.86 -1.59 -3.09 115.15 115.58 3e1b h HIS 60 Ca 0.45 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.64 3e1b h HIS 60 Cb 0.74 0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.38 3e1b h HIS 60 CO -0.16 -0.38 0.36 -0.97 0.86 0.00 0.00 177.93 177.64 3e1b h ASN 61 N -0.86 0.78 0.00 2.45 -1.24 -0.02 -3.33 115.58 113.35 3e1b h ASN 61 Ca -0.07 -0.05 -0.36 0.00 0.71 0.00 0.00 56.30 56.53 3e1b h ASN 61 Cb 0.50 -0.20 -0.05 0.00 0.73 0.00 0.00 38.32 39.30 3e1b h ASN 61 CO 0.11 0.62 -2.14 -0.67 -1.29 0.00 0.00 177.43 174.06 3e1b n ASP 62 N -4.39 1.94 0.00 1.15 4.64 -0.56 -5.05 116.55 114.29 3e1b n ASP 62 Ca 0.06 0.35 0.00 0.00 -1.38 0.00 0.00 54.79 53.82 3e1b n ASP 62 Cb 0.09 -0.82 0.00 0.00 -1.04 0.00 0.00 41.12 39.35 3e1b n ASP 62 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3e1b n GLY 63 N 1.31 0.90 3.04 0.27 0.00 -1.17 -5.09 105.19 104.45 3e1b n GLY 63 Ca -0.45 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 3e1b n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1b n ALA 64 N -0.77 -5.32 -2.62 4.61 0.00 -1.26 -4.99 120.51 110.16 3e1b n ALA 64 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.21 3e1b n ALA 64 Cb 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 3e1b n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3e1b s ASP 65 N -1.10 6.75 0.19 0.00 1.01 -1.26 -4.60 116.67 117.66 3e1b s ASP 65 Ca 0.41 0.76 0.10 0.00 0.71 0.00 0.00 52.55 54.53 3e1b s ASP 65 Cb -0.13 -2.46 0.57 0.00 1.01 0.00 0.00 42.92 41.90 3e1b s ASP 65 CO 0.79 -0.76 1.25 0.00 0.21 0.00 0.00 175.17 176.66 3e1b n ILE 66 N 5.74 1.16 0.30 0.77 3.06 -1.26 -2.05 119.36 127.08 3e1b n ILE 66 Ca 0.07 0.64 0.09 0.00 -2.50 0.00 0.00 62.75 61.05 3e1b n ILE 66 Cb 0.48 -1.64 -0.12 0.00 0.54 0.00 0.00 39.64 38.89 3e1b n ILE 66 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 3e1b n ASP 67 N -1.85 0.87 -0.75 9.51 8.00 -1.26 -4.52 116.55 126.54 3e1b n ASP 67 Ca -0.01 -0.34 0.10 0.00 0.71 0.00 0.00 54.79 55.25 3e1b n ASP 67 Cb 0.14 1.51 0.08 0.00 -0.02 0.00 0.00 41.12 42.83 3e1b n ASP 67 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3e1b n ASP 68 N -1.86 2.56 -4.53 -2.24 8.00 -0.87 -4.59 116.55 113.03 3e1b n ASP 68 Ca -0.01 -1.78 -0.43 0.00 0.71 0.00 0.00 54.79 53.28 3e1b n ASP 68 Cb 0.39 0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.51 3e1b n ASP 68 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3e1b s LEU 69 N -1.62 4.32 0.00 0.64 1.43 -1.22 -1.95 118.68 120.29 3e1b s LEU 69 Ca 0.22 -2.48 0.00 0.00 -1.03 0.00 0.00 54.13 50.84 3e1b s LEU 69 Cb 0.16 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.88 3e1b s LEU 69 CO 0.25 -1.06 0.17 2.29 0.23 0.00 0.00 176.35 178.23 3e1b n LYS 70 N 7.34 0.19 -3.70 1.70 2.85 -0.92 -4.78 118.16 120.84 3e1b n LYS 70 Ca 0.41 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.42 3e1b n LYS 70 Cb 0.46 -1.02 0.03 0.00 -0.65 0.00 0.00 35.03 33.85 3e1b n LYS 70 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 3e1b n VAL 71 N -0.30 -5.08 0.21 0.58 3.14 -0.42 -2.28 118.33 114.19 3e1b n VAL 71 Ca 0.00 -0.73 0.08 0.00 -2.96 0.00 0.00 64.34 60.73 3e1b n VAL 71 Cb 0.01 -4.00 0.46 0.00 -1.06 0.00 0.00 33.84 29.25 3e1b n VAL 71 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3e1b h THR 72 N -1.80 0.79 0.00 1.55 1.03 -1.01 -3.06 112.91 110.41 3e1b h THR 72 Ca -0.63 -1.17 0.00 0.00 -0.01 0.00 0.00 66.41 64.60 3e1b h THR 72 Cb 1.36 1.72 0.00 0.00 -1.07 0.00 0.00 68.15 70.16 3e1b h THR 72 CO 0.54 0.28 0.00 0.29 -0.01 0.00 0.00 175.52 176.61 3e1b n LYS 73 N -3.61 0.00 -3.09 0.00 5.02 -1.22 -4.62 118.16 110.65 3e1b n LYS 73 Ca -0.01 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3e1b n LYS 73 Cb 0.41 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.42 3e1b n LYS 73 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3e1b n ILE 74 N -3.09 -3.42 -4.02 -0.18 5.41 -0.52 -4.86 119.36 108.68 3e1b n ILE 74 Ca 0.00 0.65 -0.26 0.00 1.00 0.00 0.00 62.75 64.14 3e1b n ILE 74 Cb 0.00 -3.50 -0.03 0.00 -0.71 0.00 0.00 39.64 35.40 3e1b n ILE 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3e1b s PHE 75 N -0.85 1.97 0.09 1.39 -0.71 -0.44 -4.75 117.98 114.67 3e1b s PHE 75 Ca -0.01 -0.77 0.03 0.00 -1.04 0.00 0.00 56.93 55.14 3e1b s PHE 75 Cb 0.00 -1.91 -0.03 0.00 -1.21 0.00 0.00 43.02 39.87 3e1b s PHE 75 CO 0.12 -0.21 -0.10 0.54 -1.34 0.00 0.00 175.22 174.23 3e1b s VAL 76 N -2.72 0.86 0.05 -2.49 0.11 -1.26 -0.77 120.40 114.18 3e1b s VAL 76 Ca 0.33 -1.54 0.01 0.00 -2.93 0.00 0.00 61.98 57.85 3e1b s VAL 76 Cb -0.01 -1.23 -0.03 0.00 -1.53 0.00 0.00 36.38 33.58 3e1b s VAL 76 CO 0.20 -0.53 -0.05 -0.62 -3.33 0.00 0.00 175.10 170.77 3e1b s ASP 77 N -2.28 0.71 0.97 3.54 2.15 -1.06 -4.92 116.67 115.78 3e1b s ASP 77 Ca 0.03 -0.76 -0.02 0.00 0.43 0.00 0.00 52.55 52.23 3e1b s ASP 77 Cb -0.04 0.10 0.03 0.00 -0.30 0.00 0.00 42.92 42.71 3e1b s ASP 77 CO -0.00 -0.38 0.15 -1.84 -0.17 0.00 0.00 175.17 172.93 3e1b n GLU 78 N 0.80 -0.12 0.00 4.34 0.00 -1.26 -1.63 120.64 122.77 3e1b n GLU 78 Ca -0.18 -0.24 0.00 0.00 0.00 0.00 0.00 57.16 56.74 3e1b n GLU 78 Cb 0.58 -0.15 0.00 0.00 0.00 0.00 0.00 31.44 31.86 3e1b n GLU 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3e1b n GLY 79 N 4.00 -0.31 0.00 -1.84 0.00 -0.89 -4.80 105.19 101.35 3e1b n GLY 79 Ca 0.02 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3e1b n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3e1b n PRO 80 N -0.26 0.00 -3.68 1.61 -0.04 -1.26 -4.95 135.00 126.42 3e1b n PRO 80 Ca 0.00 0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 63.75 3e1b n PRO 80 Cb 0.00 -1.07 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 3e1b n PRO 80 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3e1b s SER 81 N -2.45 -0.62 -0.03 3.54 1.04 -1.26 -5.07 113.70 108.84 3e1b s SER 81 Ca 0.00 1.16 -0.03 0.00 0.48 0.00 0.00 55.95 57.56 3e1b s SER 81 Cb 0.00 1.15 0.01 0.00 0.10 0.00 0.00 66.02 67.28 3e1b s SER 81 CO 0.00 -0.20 0.08 -0.32 0.98 0.00 0.00 173.24 173.78 3e1b s MET 82 N 0.55 0.09 0.12 4.02 1.75 -1.25 -5.08 119.30 119.50 3e1b s MET 82 Ca -0.02 0.13 0.07 0.00 -1.25 0.00 0.00 55.69 54.62 3e1b s MET 82 Cb -0.05 0.02 -0.04 0.00 2.84 0.00 0.00 34.83 37.61 3e1b s MET 82 CO -0.03 -0.03 -0.16 0.15 -0.65 0.00 0.00 175.02 174.30 3e1b s LYS 83 N 0.16 1.08 0.26 4.11 -0.14 -1.26 -2.45 119.74 121.49 3e1b s LYS 83 Ca -0.01 -1.23 -0.09 0.00 -1.36 0.00 0.00 55.97 53.28 3e1b s LYS 83 Cb -0.02 -1.08 -0.01 0.00 -1.68 0.00 0.00 37.83 35.04 3e1b s LYS 83 CO -0.00 0.22 0.43 0.50 -0.76 0.00 0.00 175.35 175.74 3e1b s ARG 84 N -2.44 1.58 0.14 1.68 6.06 -0.58 -4.96 118.95 120.43 3e1b s ARG 84 Ca 0.09 -1.42 0.08 0.00 -2.50 0.00 0.00 55.73 51.98 3e1b s ARG 84 Cb -0.07 0.44 -0.04 0.00 0.06 0.00 0.00 34.95 35.34 3e1b s ARG 84 CO 0.04 -0.64 -0.18 0.96 -2.50 0.00 0.00 175.30 172.98 3e1b s ILE 85 N -3.81 1.70 -0.28 4.11 -0.00 -1.26 -2.15 121.20 119.51 3e1b s ILE 85 Ca 0.27 -1.77 -0.01 0.00 -0.00 0.00 0.00 60.65 59.13 3e1b s ILE 85 Cb 0.01 -1.70 0.12 0.00 -0.00 0.00 0.00 42.46 40.89 3e1b s ILE 85 CO 0.12 -0.26 0.25 -0.04 -0.00 0.00 0.00 174.94 175.01 3e1b s MET 86 N -2.50 0.28 -0.36 0.37 -1.94 0.00 -4.97 119.30 110.18 3e1b s MET 86 Ca 0.12 -0.21 -0.27 0.00 -1.71 0.00 0.00 55.69 53.61 3e1b s MET 86 Cb -0.07 -0.81 -0.28 0.00 2.01 0.00 0.00 34.83 35.69 3e1b s MET 86 CO 0.05 -1.01 1.75 -0.35 -0.01 0.00 0.00 175.02 175.45 3e1b n PRO 87 N 5.30 0.69 0.04 2.03 -0.04 -1.26 -4.37 135.00 137.38 3e1b n PRO 87 Ca -0.03 -1.39 -0.12 0.00 -0.04 0.00 0.00 63.50 61.91 3e1b n PRO 87 Cb 0.45 -2.70 -0.01 0.00 -0.04 0.00 0.00 33.50 31.20 3e1b n PRO 87 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3e1b h ARG 88 N 9.06 0.50 0.00 0.54 9.65 -1.98 -3.36 114.38 128.79 3e1b h ARG 88 Ca 0.33 -0.43 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 3e1b h ARG 88 Cb 0.69 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 3e1b h ARG 88 CO 2.00 1.06 -0.28 0.00 2.80 0.00 0.00 179.97 185.55 3e1b n ALA 89 N -2.54 1.83 -1.09 2.80 0.00 -1.26 -5.06 120.51 115.19 3e1b n ALA 89 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 3e1b n ALA 89 Cb 0.74 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.15 3e1b n ALA 89 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3e1b n LYS 90 N -1.05 -1.40 0.00 0.00 0.00 -1.26 -4.55 118.16 109.90 3e1b n LYS 90 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 58.31 58.80 3e1b n LYS 90 Cb 0.00 -4.50 0.00 0.00 -0.00 0.00 0.00 35.03 30.53 3e1b n LYS 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3e1b n GLY 91 N -0.03 0.26 0.00 2.58 0.00 -1.26 -5.10 105.19 101.64 3e1b n GLY 91 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3e1b n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3e1b n ARG 92 N 0.00 0.00 0.00 1.61 5.12 -1.26 -5.10 116.66 117.03 3e1b n ARG 92 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3e1b n ARG 92 Cb 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.63 3e1b n ARG 92 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3e1b n ALA 93 N -3.00 0.00 -0.24 7.54 0.00 -1.26 -4.80 120.51 118.75 3e1b n ALA 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3e1b n ALA 93 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3e1b n ALA 93 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3e1b n ASP 94 N -0.02 0.00 -3.37 0.00 8.00 -1.26 -4.80 116.55 115.09 3e1b n ASP 94 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 3e1b n ASP 94 Cb 0.00 -1.47 -0.08 0.00 -0.02 0.00 0.00 41.12 39.55 3e1b n ASP 94 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3e1b n ARG 95 N -2.00 1.17 -2.01 -1.24 1.74 -1.26 -0.82 116.66 112.24 3e1b n ARG 95 Ca 0.00 -3.71 -0.36 0.00 -0.77 0.00 0.00 57.85 53.00 3e1b n ARG 95 Cb 0.00 -1.69 0.03 0.00 -1.02 0.00 0.00 32.46 29.78 3e1b n ARG 95 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3e1b s ILE 96 N -1.27 2.61 0.26 0.55 2.07 -0.91 -4.91 121.20 119.60 3e1b s ILE 96 Ca 0.35 0.40 0.09 0.00 -1.41 0.00 0.00 60.65 60.07 3e1b s ILE 96 Cb 0.11 -3.17 -0.04 0.00 0.13 0.00 0.00 42.46 39.49 3e1b s ILE 96 CO -0.11 -0.06 0.06 -0.76 -1.91 0.00 0.00 174.94 172.15 3e1b s LEU 97 N -3.86 3.39 -0.39 8.50 1.02 -1.26 -1.52 118.68 124.55 3e1b s LEU 97 Ca 0.75 -0.51 0.04 0.00 0.02 0.00 0.00 54.13 54.43 3e1b s LEU 97 Cb -0.32 -1.92 0.11 0.00 0.02 0.00 0.00 46.19 44.08 3e1b s LEU 97 CO 0.35 -0.01 0.11 -0.54 0.02 0.00 0.00 176.35 176.28 3e1b s LYS 98 N -3.69 1.62 0.54 1.70 3.01 -1.03 -4.93 119.74 116.97 3e1b s LYS 98 Ca 0.32 -2.07 0.26 0.00 -1.01 0.00 0.00 55.97 53.47 3e1b s LYS 98 Cb -0.07 -3.25 1.54 0.00 -1.01 0.00 0.00 37.83 35.04 3e1b s LYS 98 CO 0.21 -0.99 2.14 0.00 0.51 0.00 0.00 175.35 177.23 3e1b h ARG 99 N 7.33 0.00 -3.28 1.68 2.47 -1.86 -3.31 114.38 117.41 3e1b h ARG 99 Ca -0.05 0.00 0.39 0.00 -1.26 0.00 0.00 59.98 59.06 3e1b h ARG 99 Cb 0.99 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.20 3e1b h ARG 99 CO 0.57 0.07 -0.63 -2.37 0.56 0.00 0.00 179.97 178.18 3e1b n THR 100 N -3.85 0.00 -3.58 2.04 5.66 -1.25 -2.09 114.28 111.21 3e1b n THR 100 Ca -0.02 0.13 -0.11 0.00 -3.05 0.00 0.00 64.05 60.99 3e1b n THR 100 Cb 0.17 -0.62 -0.04 0.00 -1.55 0.00 0.00 70.33 68.29 3e1b n THR 100 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3e1b s SER 101 N -7.21 -0.33 -0.13 1.09 0.01 -0.07 -4.10 113.70 102.96 3e1b s SER 101 Ca 0.00 -0.18 -0.04 0.00 1.31 0.00 0.00 55.95 57.04 3e1b s SER 101 Cb 0.00 0.50 0.05 0.00 0.21 0.00 0.00 66.02 66.78 3e1b s SER 101 CO 0.00 -0.85 0.09 -1.38 0.41 0.00 0.00 173.24 171.50 3e1b s HIS 102 N -3.58 0.12 -0.81 2.43 -3.43 -0.65 -4.16 115.29 105.20 3e1b s HIS 102 Ca 0.01 -0.10 -0.25 0.00 -0.80 0.00 0.00 55.06 53.92 3e1b s HIS 102 Cb 0.01 -0.60 0.05 0.00 -1.43 0.00 0.00 32.58 30.60 3e1b s HIS 102 CO -0.11 -0.41 1.28 0.42 -2.00 0.00 0.00 174.74 173.92 3e1b s ILE 103 N 2.16 3.90 -1.12 -5.38 1.01 -0.78 -2.57 121.20 118.42 3e1b s ILE 103 Ca 0.03 -0.10 -0.23 0.00 0.00 0.00 0.00 60.65 60.35 3e1b s ILE 103 Cb -0.15 -4.92 -0.09 0.00 0.01 0.00 0.00 42.46 37.31 3e1b s ILE 103 CO -0.07 -1.82 1.96 -0.89 0.00 0.00 0.00 174.94 174.12 3e1b s THR 104 N 5.18 3.48 0.09 2.92 2.01 0.05 -4.10 115.64 125.27 3e1b s THR 104 Ca 0.36 -0.75 -0.22 0.00 0.31 0.00 0.00 61.69 61.39 3e1b s THR 104 Cb -0.07 -4.41 -0.13 0.00 0.01 0.00 0.00 72.50 67.91 3e1b s THR 104 CO 0.06 -0.90 1.72 1.62 -0.69 0.00 0.00 174.62 176.43 3e1b h VAL 105 N 6.42 1.05 -6.05 3.82 3.04 -1.87 -1.16 116.25 121.50 3e1b h VAL 105 Ca 0.18 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.75 3e1b h VAL 105 Cb 0.95 1.00 -0.01 0.00 -2.01 0.00 0.00 31.29 31.22 3e1b h VAL 105 CO 1.20 0.04 -0.43 0.52 -1.01 0.00 0.00 177.57 177.89 3e1b n VAL 106 N -5.02 -2.87 -0.10 1.51 0.31 -1.25 -1.44 118.33 109.47 3e1b n VAL 106 Ca -0.06 0.47 -0.16 0.00 -0.01 0.00 0.00 64.34 64.59 3e1b n VAL 106 Cb 0.05 -3.20 -0.06 0.00 -0.91 0.00 0.00 33.84 29.72 3e1b n VAL 106 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3e1b n VAL 107 N 2.11 1.49 -3.73 2.52 0.31 -1.03 -2.93 118.33 117.06 3e1b n VAL 107 Ca -0.04 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.34 3e1b n VAL 107 Cb 0.18 -2.18 -0.01 0.00 -0.91 0.00 0.00 33.84 30.92 3e1b n VAL 107 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3e1b n SER 108 N -4.45 -5.45 -4.09 4.52 2.88 -0.93 -1.13 113.62 104.96 3e1b n SER 108 Ca -0.26 0.37 -0.10 0.00 -1.33 0.00 0.00 58.87 57.56 3e1b n SER 108 Cb 0.57 -1.05 -0.10 0.00 -0.75 0.00 0.00 64.21 62.87 3e1b n SER 108 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3e1b s ASP 109 N -4.65 0.74 0.00 -3.46 3.84 -1.26 -2.17 116.67 109.70 3e1b s ASP 109 Ca 0.00 -0.82 0.00 0.00 -0.00 0.00 0.00 52.55 51.73 3e1b s ASP 109 Cb 0.00 0.11 0.00 0.00 -1.38 0.00 0.00 42.92 41.65 3e1b s ASP 109 CO 0.00 -0.42 0.32 0.54 -0.00 0.00 0.00 175.17 175.61