#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oms n GLN 2 N 0.00 0.12 -5.10 -1.40 6.02 -1.26 -5.18 117.38 110.58 1oms n GLN 2 Ca 0.00 -0.77 -0.28 0.00 -0.01 0.00 0.00 57.00 55.93 1oms n GLN 2 Cb 0.00 -0.03 -0.16 0.00 1.02 0.00 0.00 30.24 31.07 1oms n GLN 2 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1oms s VAL 3 N 0.65 1.76 -0.08 5.09 1.01 -1.26 -2.29 120.40 125.28 1oms s VAL 3 Ca 0.25 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1oms s VAL 3 Cb 0.16 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1oms s VAL 3 CO -0.10 0.50 -0.10 -0.44 0.00 0.00 0.00 175.10 174.96 1oms s SER 4 N -0.49 1.78 -0.08 3.32 0.01 0.05 -4.98 113.70 113.31 1oms s SER 4 Ca 0.08 -0.28 -0.01 0.00 1.31 0.00 0.00 55.95 57.05 1oms s SER 4 Cb -0.09 -0.78 -0.03 0.00 0.21 0.00 0.00 66.02 65.33 1oms s SER 4 CO -0.01 -0.02 -0.01 -0.69 0.41 0.00 0.00 173.24 172.93 1oms s VAL 5 N 0.97 4.24 0.04 3.43 1.01 -1.26 -0.47 120.40 128.36 1oms s VAL 5 Ca -0.09 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1oms s VAL 5 Cb -0.15 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1oms s VAL 5 CO 0.00 0.59 -0.07 -1.61 0.00 0.00 0.00 175.10 174.01 1oms s GLU 6 N -0.92 0.50 -0.23 2.72 2.02 0.77 -4.98 118.70 118.58 1oms s GLU 6 Ca 0.14 -0.76 -0.09 0.00 0.02 0.00 0.00 54.97 54.27 1oms s GLU 6 Cb -0.11 -0.20 -0.04 0.00 0.10 0.00 0.00 34.13 33.87 1oms s GLU 6 CO 0.03 0.03 0.12 0.99 0.02 0.00 0.00 175.26 176.44 1oms s THR 7 N -1.54 5.00 0.00 3.63 2.01 -1.26 -1.13 115.64 122.35 1oms s THR 7 Ca -0.10 0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1oms s THR 7 Cb -0.09 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.10 1oms s THR 7 CO -0.00 0.37 0.00 0.35 -0.69 0.00 0.00 174.62 174.65 1oms n THR 8 N 4.26 0.00 -3.67 -0.82 -2.24 -0.76 -4.96 114.28 106.10 1oms n THR 8 Ca -0.16 0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.78 1oms n THR 8 Cb 0.52 -1.05 -0.09 0.00 -2.10 0.00 0.00 70.33 67.61 1oms n THR 8 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1oms s GLN 9 N -0.53 0.61 7.65 -0.78 0.74 -1.25 -5.00 119.66 121.11 1oms s GLN 9 Ca 0.00 0.93 0.00 0.00 0.05 0.00 0.00 55.36 56.34 1oms s GLN 9 Cb 0.00 0.18 0.00 0.00 1.10 0.00 0.00 33.01 34.29 1oms s GLN 9 CO 0.00 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.03 1oms n GLY 10 N 3.65 3.59 0.21 2.59 0.00 -1.26 -0.65 105.19 113.32 1oms n GLY 10 Ca -0.18 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.78 1oms n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oms n LEU 11 N 0.00 0.61 -4.79 0.99 4.77 -1.26 -4.89 117.00 112.42 1oms n LEU 11 Ca 0.00 -0.30 -0.36 0.00 -0.03 0.00 0.00 56.01 55.32 1oms n LEU 11 Cb 0.00 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1oms n LEU 11 CO 0.00 0.15 0.60 -0.83 -1.33 0.00 0.00 177.39 175.98 1oms s GLY 12 N -1.06 2.69 0.15 -0.72 0.00 0.18 -0.68 107.32 107.88 1oms s GLY 12 Ca 0.10 0.43 -0.04 0.00 0.00 0.00 0.00 44.72 45.21 1oms s GLY 12 CO 0.07 0.83 0.16 0.50 0.00 0.00 0.00 173.10 174.66 1oms s ARG 13 N -2.24 1.05 -0.10 2.90 1.81 0.23 -1.82 118.95 120.78 1oms s ARG 13 Ca 0.51 -1.35 -0.05 0.00 -1.72 0.00 0.00 55.73 53.12 1oms s ARG 13 Cb -0.17 0.30 0.04 0.00 -0.45 0.00 0.00 34.95 34.68 1oms s ARG 13 CO 0.21 -0.34 0.24 0.50 -0.68 0.00 0.00 175.30 175.23 1oms s ARG 14 N -4.03 0.20 -0.18 3.54 3.52 -0.28 -2.32 118.95 119.41 1oms s ARG 14 Ca 0.23 0.51 -0.01 0.00 -0.13 0.00 0.00 55.73 56.32 1oms s ARG 14 Cb 0.06 -0.11 -0.00 0.00 -1.56 0.00 0.00 34.95 33.33 1oms s ARG 14 CO 0.02 -0.16 -0.11 0.08 -0.81 0.00 0.00 175.30 174.32 1oms s VAL 15 N 1.20 2.92 -0.17 7.11 1.01 -0.20 -0.16 120.40 132.12 1oms s VAL 15 Ca -0.09 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1oms s VAL 15 Cb -0.10 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 1oms s VAL 15 CO -0.08 0.49 -0.06 -0.89 0.00 0.00 0.00 175.10 174.55 1oms s THR 16 N 1.06 3.51 0.01 3.92 2.01 0.38 -0.22 115.64 126.31 1oms s THR 16 Ca -0.00 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.56 1oms s THR 16 Cb -0.15 -2.54 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 1oms s THR 16 CO -0.03 0.48 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.62 1oms s ILE 17 N 0.68 1.04 -0.17 1.82 1.01 -0.04 -0.77 121.20 124.78 1oms s ILE 17 Ca -0.03 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.90 1oms s ILE 17 Cb -0.15 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.42 1oms s ILE 17 CO 0.02 0.18 -0.14 -0.89 0.00 0.00 0.00 174.94 174.11 1oms s THR 18 N -0.51 2.68 -0.19 2.92 2.01 -0.97 -1.29 115.64 120.29 1oms s THR 18 Ca 0.04 -0.75 -0.11 0.00 0.31 0.00 0.00 61.69 61.17 1oms s THR 18 Cb -0.06 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 1oms s THR 18 CO 0.00 0.51 0.18 -0.63 -0.69 0.00 0.00 174.62 173.99 1oms s ILE 19 N 0.96 5.37 0.37 1.82 1.01 0.22 -4.65 121.20 126.31 1oms s ILE 19 Ca -0.02 0.31 -0.27 0.00 0.00 0.00 0.00 60.65 60.66 1oms s ILE 19 Cb -0.15 -3.52 -0.09 0.00 0.01 0.00 0.00 42.46 38.71 1oms s ILE 19 CO -0.02 0.42 1.25 0.00 0.00 0.00 0.00 174.94 176.59 1oms s ALA 20 N 0.43 3.30 0.34 9.38 0.00 -1.26 -0.93 121.76 133.03 1oms s ALA 20 Ca 0.11 1.14 0.08 0.00 0.00 0.00 0.00 51.96 53.28 1oms s ALA 20 Cb -0.12 -3.44 0.77 0.00 0.00 0.00 0.00 23.12 20.34 1oms s ALA 20 CO 0.00 -0.64 1.87 0.00 0.00 0.00 0.00 175.76 176.99 1oms h ALA 21 N 2.94 1.78 0.00 0.00 0.00 -1.90 -1.43 119.26 120.65 1oms h ALA 21 Ca -0.49 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1oms h ALA 21 Cb 1.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1oms h ALA 21 CO 0.64 -0.02 -0.36 0.38 0.00 0.00 0.00 179.25 179.89 1oms h ASP 22 N 0.74 0.00 -0.16 0.00 2.03 -1.92 -1.50 116.42 115.61 1oms h ASP 22 Ca 0.45 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.57 1oms h ASP 22 Cb 0.67 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.17 1oms h ASP 22 CO -0.21 0.36 -0.57 0.28 -1.03 0.00 0.00 179.24 178.06 1oms h SER 23 N 0.00 0.85 -0.17 4.15 0.02 -1.65 -1.55 113.55 115.20 1oms h SER 23 Ca -0.00 -0.47 -0.03 0.00 -0.84 0.00 0.00 61.79 60.45 1oms h SER 23 Cb 0.91 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1oms h SER 23 CO 0.05 1.24 -0.02 0.40 -1.14 0.00 0.00 176.83 177.36 1oms h ILE 24 N 0.58 1.27 -0.58 3.27 2.04 -1.27 -2.37 117.51 120.44 1oms h ILE 24 Ca 0.01 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 1oms h ILE 24 Cb 1.16 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 1oms h ILE 24 CO 0.12 0.28 0.17 -0.08 0.00 0.00 0.00 178.15 178.63 1oms h GLU 25 N 0.04 0.88 -0.54 2.37 4.57 -1.24 0.30 114.58 120.96 1oms h GLU 25 Ca 0.05 -0.17 -0.09 0.00 -1.18 0.00 0.00 59.36 57.96 1oms h GLU 25 Cb 0.43 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1oms h GLU 25 CO 0.01 0.78 -0.04 1.15 -1.18 0.00 0.00 179.01 179.73 1oms h THR 26 N 0.86 1.26 -0.23 0.32 2.02 -1.23 -0.95 112.91 114.95 1oms h THR 26 Ca 0.19 -1.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.15 1oms h THR 26 Cb 0.27 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1oms h THR 26 CO -0.01 0.41 -0.18 0.00 0.37 0.00 0.00 175.52 176.11 1oms h ALA 27 N 1.09 0.34 -0.61 6.16 0.00 -0.94 -2.80 119.26 122.49 1oms h ALA 27 Ca 0.15 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1oms h ALA 27 Cb 0.56 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1oms h ALA 27 CO 0.03 0.25 0.23 0.28 0.00 0.00 0.00 179.25 180.05 1oms h VAL 28 N 0.24 1.22 0.18 0.00 2.07 -0.84 -2.05 116.25 117.06 1oms h VAL 28 Ca 0.04 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1oms h VAL 28 Cb 0.71 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1oms h VAL 28 CO 0.05 0.27 -0.08 0.50 0.02 0.00 0.00 177.57 178.33 1oms h LYS 29 N 0.87 -0.23 -0.09 1.57 3.64 -1.05 -1.05 116.57 120.24 1oms h LYS 29 Ca 0.21 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1oms h LYS 29 Cb 0.18 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1oms h LYS 29 CO -0.02 -0.13 -0.44 0.66 -2.27 0.00 0.00 179.45 177.25 1oms h SER 30 N -0.26 0.22 -0.36 4.20 4.64 -1.41 -2.13 113.55 118.45 1oms h SER 30 Ca -0.02 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.07 1oms h SER 30 Cb 0.20 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1oms h SER 30 CO 0.04 0.64 -0.24 -0.08 -0.87 0.00 0.00 176.83 176.32 1oms h GLU 31 N 0.17 0.87 -0.27 4.77 4.57 -1.25 -2.34 114.58 121.10 1oms h GLU 31 Ca 0.01 -0.37 -0.09 0.00 -1.18 0.00 0.00 59.36 57.73 1oms h GLU 31 Cb 0.85 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 1oms h GLU 31 CO 0.07 1.01 -0.22 1.25 -1.18 0.00 0.00 179.01 179.94 1oms h LEU 32 N 0.75 0.50 -0.90 1.64 5.85 -0.91 -0.20 115.31 122.05 1oms h LEU 32 Ca 0.10 -0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 1oms h LEU 32 Cb 0.79 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1oms h LEU 32 CO 0.07 0.73 -0.51 -0.37 -0.34 0.00 0.00 178.44 178.01 1oms h VAL 33 N 0.45 1.36 -0.22 1.05 -1.51 -1.16 0.04 116.25 116.26 1oms h VAL 33 Ca 0.07 -1.77 -0.19 0.00 -1.23 0.00 0.00 66.70 63.58 1oms h VAL 33 Cb 0.64 1.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.71 1oms h VAL 33 CO 0.05 0.51 -0.60 0.78 -1.23 0.00 0.00 177.57 177.08 1oms h ASN 34 N 0.08 0.91 0.11 4.19 2.35 -0.98 -2.94 115.58 119.30 1oms h ASN 34 Ca -0.00 -0.57 -0.07 0.00 -0.55 0.00 0.00 56.30 55.11 1oms h ASN 34 Cb 0.93 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 1oms h ASN 34 CO 0.07 1.32 -0.23 0.58 -1.65 0.00 0.00 177.43 177.52 1oms h VAL 35 N 0.55 1.23 0.00 2.81 2.07 -0.79 -2.29 116.25 119.82 1oms h VAL 35 Ca -0.01 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1oms h VAL 35 Cb 1.22 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1oms h VAL 35 CO 0.13 0.32 -0.16 0.00 0.02 0.00 0.00 177.57 177.88 1oms h ALA 36 N 1.56 1.46 0.00 1.67 0.00 -0.82 -1.84 119.26 121.29 1oms h ALA 36 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1oms h ALA 36 Cb 0.53 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1oms h ALA 36 CO 0.04 0.20 -0.06 0.87 0.00 0.00 0.00 179.25 180.30 1oms h LYS 37 N 0.00 0.00 0.00 0.00 1.57 -1.31 -3.00 116.57 113.83 1oms h LYS 37 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1oms h LYS 37 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1oms h LYS 37 CO 0.02 0.06 -1.18 1.63 -0.57 0.00 0.00 179.45 179.42 1oms n LYS 38 N -3.19 0.45 -3.50 3.15 5.02 -0.70 -4.14 118.16 115.24 1oms n LYS 38 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.92 1oms n LYS 38 Cb 0.33 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 1oms n LYS 38 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1oms s VAL 39 N -3.30 5.07 -0.02 -0.18 -7.23 -1.13 -4.90 120.40 108.70 1oms s VAL 39 Ca 0.00 0.81 0.06 0.00 -1.81 0.00 0.00 61.98 61.04 1oms s VAL 39 Cb 0.13 -3.70 -0.01 0.00 0.56 0.00 0.00 36.38 33.35 1oms s VAL 39 CO 0.81 0.56 -0.19 -0.60 -0.31 0.00 0.00 175.10 175.37 1oms s ARG 40 N -0.90 1.61 -0.10 4.82 3.52 -1.26 -2.06 118.95 124.57 1oms s ARG 40 Ca 0.23 -0.68 -0.02 0.00 -0.13 0.00 0.00 55.73 55.13 1oms s ARG 40 Cb -0.16 -1.52 0.04 0.00 -1.56 0.00 0.00 34.95 31.75 1oms s ARG 40 CO 0.12 0.38 0.03 0.42 -0.81 0.00 0.00 175.30 175.45 1oms s ILE 41 N -0.36 0.24 0.00 4.11 1.01 -1.26 -5.04 121.20 119.89 1oms s ILE 41 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1oms s ILE 41 Cb -0.08 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.83 1oms s ILE 41 CO -0.00 0.07 0.00 -0.67 0.00 0.00 0.00 174.94 174.34 1oms n ASP 42 N 5.18 0.00 0.00 3.58 4.64 -1.26 -0.31 116.55 128.38 1oms n ASP 42 Ca -0.07 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.34 1oms n ASP 42 Cb 0.49 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.57 1oms n ASP 42 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1oms n GLY 43 N -0.61 -0.24 3.82 0.27 0.00 -1.26 -4.75 105.19 102.42 1oms n GLY 43 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1oms n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1oms s PHE 44 N -2.39 -0.00 0.19 1.61 5.36 0.57 -5.15 117.98 118.16 1oms s PHE 44 Ca 0.00 -0.56 -0.24 0.00 -0.96 0.00 0.00 56.93 55.17 1oms s PHE 44 Cb 0.00 0.76 -0.08 0.00 -0.34 0.00 0.00 43.02 43.35 1oms s PHE 44 CO 0.00 -1.40 0.77 -0.98 -1.46 0.00 0.00 175.22 172.15 1oms s ARG 45 N -3.09 4.49 0.03 10.12 3.03 -1.26 -4.33 118.95 127.94 1oms s ARG 45 Ca 0.14 1.10 -0.33 0.00 2.03 0.00 0.00 55.73 58.67 1oms s ARG 45 Cb -0.05 -3.14 -0.17 0.00 -1.03 0.00 0.00 34.95 30.56 1oms s ARG 45 CO 0.09 0.51 0.84 1.17 -1.13 0.00 0.00 175.30 176.79 1oms n LYS 46 N 1.32 0.00 0.00 3.89 4.81 -1.26 -2.28 118.16 124.64 1oms n LYS 46 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1oms n LYS 46 Cb 0.49 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 34.33 1oms n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1oms n GLY 47 N 1.35 1.61 2.01 3.14 0.00 -0.87 -4.94 105.19 107.49 1oms n GLY 47 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 1oms n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1oms n LYS 48 N -2.00 4.10 -2.50 1.61 4.01 -0.97 -4.61 118.16 117.81 1oms n LYS 48 Ca 0.00 -3.12 -0.41 0.00 -0.51 0.00 0.00 58.31 54.26 1oms n LYS 48 Cb 0.00 -2.25 -0.04 0.00 -0.51 0.00 0.00 35.03 32.24 1oms n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1oms s VAL 49 N -2.94 3.96 0.00 -0.18 1.01 -1.26 -4.99 120.40 116.00 1oms s VAL 49 Ca 0.56 1.59 0.00 0.00 0.00 0.00 0.00 61.98 64.12 1oms s VAL 49 Cb 0.44 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1oms s VAL 49 CO 0.14 0.22 0.00 -2.65 0.00 0.00 0.00 175.10 172.82 1oms n PRO 50 N 2.90 2.31 0.00 2.72 -0.02 -1.26 -4.87 135.00 136.77 1oms n PRO 50 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1oms n PRO 50 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 1oms n PRO 50 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1oms n ASN 52 N 0.00 0.00 -0.02 2.55 5.03 -1.26 -2.71 115.26 118.84 1oms n ASN 52 Ca 0.00 0.00 -0.16 0.00 0.87 0.00 0.00 54.58 55.29 1oms n ASN 52 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 38.67 1oms n ASN 52 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1oms h ILE 53 N 0.00 1.36 -0.50 2.41 2.04 -1.99 -2.03 117.51 118.79 1oms h ILE 53 Ca 0.00 -1.86 -0.10 0.00 1.00 0.00 0.00 64.86 63.90 1oms h ILE 53 Cb 0.00 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1oms h ILE 53 CO 0.00 0.56 -0.07 0.58 0.00 0.00 0.00 178.15 179.22 1oms h VAL 54 N 0.15 1.27 -0.51 1.67 2.07 -1.85 -1.65 116.25 117.40 1oms h VAL 54 Ca -0.04 -1.20 -0.10 0.00 0.82 0.00 0.00 66.70 66.18 1oms h VAL 54 Cb 1.19 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1oms h VAL 54 CO 0.11 0.42 -0.07 0.00 0.02 0.00 0.00 177.57 178.05 1oms h ALA 55 N 0.91 0.70 -0.45 1.67 0.00 -1.85 0.54 119.26 120.78 1oms h ALA 55 Ca 0.13 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1oms h ALA 55 Cb 0.62 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1oms h ALA 55 CO 0.04 0.58 0.17 0.37 0.00 0.00 0.00 179.25 180.41 1oms h GLN 56 N 0.82 0.68 0.19 0.00 4.15 -1.22 0.57 115.11 120.29 1oms h GLN 56 Ca 0.14 -0.13 -0.34 0.00 0.77 0.00 0.00 58.65 59.09 1oms h GLN 56 Cb 0.62 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 28.21 1oms h GLN 56 CO 0.04 0.62 -1.69 -0.09 -1.93 0.00 0.00 178.83 175.79 1oms h ARG 57 N 0.58 0.40 -0.01 1.69 2.43 -1.21 -3.41 114.38 114.85 1oms h ARG 57 Ca 0.15 -0.68 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1oms h ARG 57 Cb 0.21 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1oms h ARG 57 CO -0.01 1.32 -0.22 0.66 -1.51 0.00 0.00 179.97 180.22 1oms n TYR 58 N -3.65 0.00 -0.18 2.20 4.02 0.19 -4.72 117.16 115.02 1oms n TYR 58 Ca -0.24 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.63 1oms n TYR 58 Cb 1.06 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 40.46 1oms n TYR 58 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1oms h GLY 59 N 2.42 0.75 0.94 2.72 0.00 -0.77 -0.74 103.07 108.38 1oms h GLY 59 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1oms h GLY 59 CO 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 176.54 176.65 1oms h ALA 60 N 1.38 0.51 -0.35 3.60 0.00 -1.85 0.56 119.26 123.12 1oms h ALA 60 Ca 0.27 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1oms h ALA 60 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1oms h ALA 60 CO -0.28 0.15 0.07 0.77 0.00 0.00 0.00 179.25 179.96 1oms h SER 61 N 0.49 0.55 -0.20 0.00 0.02 -1.83 -2.07 113.55 110.51 1oms h SER 61 Ca 0.13 -0.25 -0.10 0.00 -0.84 0.00 0.00 61.79 60.73 1oms h SER 61 Cb 0.25 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1oms h SER 61 CO -0.00 0.65 -0.19 0.58 -1.14 0.00 0.00 176.83 176.73 1oms h VAL 62 N 0.42 1.26 -0.40 2.27 2.07 -1.07 -1.19 116.25 119.61 1oms h VAL 62 Ca 0.11 -1.23 -0.09 0.00 0.82 0.00 0.00 66.70 66.31 1oms h VAL 62 Cb 0.33 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1oms h VAL 62 CO 0.00 0.40 -0.12 -0.09 0.02 0.00 0.00 177.57 177.79 1oms h ARG 63 N 0.57 0.71 -0.07 1.57 2.43 -0.77 0.18 114.38 119.01 1oms h ARG 63 Ca 0.09 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1oms h ARG 63 Cb 0.64 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1oms h ARG 63 CO 0.05 0.81 -0.02 0.37 -1.51 0.00 0.00 179.97 179.66 1oms h GLN 64 N 0.65 0.14 -0.14 0.20 4.15 -1.06 -1.32 115.11 117.73 1oms h GLN 64 Ca 0.11 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.51 1oms h GLN 64 Cb 0.58 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 1oms h GLN 64 CO 0.04 0.48 -0.11 0.22 -1.93 0.00 0.00 178.83 177.53 1oms h ASP 65 N -0.21 -0.35 -0.39 -0.69 1.82 -0.95 -1.84 116.42 113.82 1oms h ASP 65 Ca 0.02 0.07 0.03 0.00 -0.39 0.00 0.00 57.03 56.76 1oms h ASP 65 Cb 0.43 0.18 -0.03 0.00 0.68 0.00 0.00 39.33 40.59 1oms h ASP 65 CO 0.01 -0.15 0.20 0.58 -1.61 0.00 0.00 179.24 178.27 1oms h VAL 66 N -0.12 0.99 0.12 2.25 2.07 -0.92 -0.21 116.25 120.42 1oms h VAL 66 Ca 0.09 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1oms h VAL 66 Cb 0.25 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1oms h VAL 66 CO -0.22 0.07 -0.30 -0.07 0.02 0.00 0.00 177.57 177.07 1oms h LEU 67 N 0.41 -0.87 -0.72 2.57 3.38 -0.95 0.19 115.31 119.31 1oms h LEU 67 Ca 0.16 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.35 1oms h LEU 67 Cb 0.06 0.33 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1oms h LEU 67 CO -0.11 -0.39 0.33 1.23 0.09 0.00 0.00 178.44 179.59 1oms h GLY 68 N -0.52 1.09 0.94 0.83 0.00 -1.02 -2.39 103.07 101.99 1oms h GLY 68 Ca 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1oms h GLY 68 CO -0.18 -0.01 0.13 -1.80 0.00 0.00 0.00 176.54 174.68 1oms h ASP 69 N 0.53 0.62 0.00 0.19 3.58 -0.30 -2.76 116.42 118.28 1oms h ASP 69 Ca 0.37 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1oms h ASP 69 Cb 0.47 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1oms h ASP 69 CO -0.32 0.67 0.00 0.18 -2.88 0.00 0.00 179.24 176.88 1oms n LEU 70 N -4.57 1.16 0.00 2.28 4.77 0.60 -1.26 117.00 119.99 1oms n LEU 70 Ca 0.00 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1oms n LEU 70 Cb 0.19 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1oms n LEU 70 CO 0.38 0.20 0.00 -1.20 -1.33 0.00 0.00 177.39 175.44 1oms n SER 72 N 1.08 0.00 -0.24 -1.43 7.64 -1.04 -1.08 113.62 118.55 1oms n SER 72 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1oms n SER 72 Cb 0.16 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.41 1oms n SER 72 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1oms h ARG 73 N 0.00 0.92 -0.07 1.43 3.08 -1.46 -2.01 114.38 116.26 1oms h ARG 73 Ca 0.00 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 1oms h ARG 73 Cb 0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1oms h ARG 73 CO 0.00 0.67 -0.39 -0.91 -1.07 0.00 0.00 179.97 178.27 1oms h ASN 74 N 0.91 0.15 -0.04 7.04 2.35 -1.36 -1.56 115.58 123.07 1oms h ASN 74 Ca 0.24 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1oms h ASN 74 Cb -0.00 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1oms h ASN 74 CO -0.04 0.53 -0.02 0.15 -1.65 0.00 0.00 177.43 176.40 1oms h PHE 75 N 0.12 0.10 -0.70 1.19 3.57 -1.69 -0.79 116.94 118.76 1oms h PHE 75 Ca 0.01 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.51 1oms h PHE 75 Cb 0.75 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 1oms h PHE 75 CO 0.01 0.47 0.44 0.82 -2.23 0.00 0.00 178.31 177.82 1oms h ILE 76 N -0.30 1.11 -0.66 1.41 2.04 -1.27 -1.03 117.51 118.81 1oms h ILE 76 Ca 0.01 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 1oms h ILE 76 Cb 0.44 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1oms h ILE 76 CO 0.01 0.16 0.17 0.44 0.00 0.00 0.00 178.15 178.93 1oms h ASP 77 N 0.87 1.00 -0.68 1.72 3.32 -1.25 -2.64 116.42 118.76 1oms h ASP 77 Ca 0.28 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1oms h ASP 77 Cb -0.00 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1oms h ASP 77 CO -0.10 0.96 0.44 0.00 -1.72 0.00 0.00 179.24 178.82 1oms h ALA 78 N 1.07 0.86 0.00 3.45 0.00 -0.27 -1.28 119.26 123.10 1oms h ALA 78 Ca 0.21 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1oms h ALA 78 Cb 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1oms h ALA 78 CO 0.00 0.31 -0.41 -0.84 0.00 0.00 0.00 179.25 178.30 1oms h ILE 79 N 0.92 0.87 -0.11 0.00 3.07 -1.17 0.18 117.51 121.26 1oms h ILE 79 Ca 0.25 -1.72 -0.10 0.00 1.55 0.00 0.00 64.86 64.84 1oms h ILE 79 Cb -0.08 2.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.54 1oms h ILE 79 CO -0.05 0.40 -0.31 0.40 -1.05 0.00 0.00 178.15 177.54 1oms h ILE 80 N 0.00 1.39 -0.47 0.16 2.04 -1.10 0.41 117.51 119.94 1oms h ILE 80 Ca -0.00 -1.63 -0.11 0.00 1.00 0.00 0.00 64.86 64.11 1oms h ILE 80 Cb 1.04 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.25 1oms h ILE 80 CO 0.05 0.48 -0.15 0.11 0.00 0.00 0.00 178.15 178.64 1oms h LYS 81 N -0.02 0.94 -0.01 2.37 1.57 -1.13 -2.99 116.57 117.30 1oms h LYS 81 Ca -0.01 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1oms h LYS 81 Cb 0.93 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1oms h LYS 81 CO 0.07 1.04 -0.04 0.39 -0.57 0.00 0.00 179.45 180.33 1oms n GLU 82 N -4.19 1.29 -3.62 3.15 -0.58 0.60 -4.94 120.64 112.36 1oms n GLU 82 Ca 0.00 -0.60 -0.20 0.00 -0.42 0.00 0.00 57.16 55.94 1oms n GLU 82 Cb 0.42 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 29.85 1oms n GLU 82 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1oms n LYS 83 N -0.33 -5.61 -4.17 3.49 5.02 -0.19 -4.98 118.16 111.40 1oms n LYS 83 Ca 0.19 0.70 -0.35 0.00 -2.02 0.00 0.00 58.31 56.83 1oms n LYS 83 Cb 0.29 -5.45 -0.09 0.00 -0.02 0.00 0.00 35.03 29.76 1oms n LYS 83 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1oms s ILE 84 N -3.54 4.61 -0.51 -0.18 1.01 -0.04 -5.04 121.20 117.52 1oms s ILE 84 Ca 0.05 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.62 1oms s ILE 84 Cb -0.02 -3.02 0.13 0.00 0.01 0.00 0.00 42.46 39.56 1oms s ILE 84 CO 0.78 0.54 0.25 0.20 0.00 0.00 0.00 174.94 176.71 1oms s ASN 85 N -0.27 4.51 0.55 3.58 0.02 -1.26 -4.68 114.94 117.39 1oms s ASN 85 Ca 0.07 -2.86 -0.21 0.00 -1.02 0.00 0.00 52.86 48.85 1oms s ASN 85 Cb -0.12 -1.67 -0.05 0.00 0.02 0.00 0.00 41.25 39.43 1oms s ASN 85 CO 0.02 -0.28 1.25 -2.84 0.02 0.00 0.00 177.10 175.27 1oms s PRO 86 N -0.07 3.21 -0.16 -0.60 0.02 -1.26 -2.13 135.00 134.00 1oms s PRO 86 Ca 0.16 1.96 -0.03 0.00 0.02 0.00 0.00 61.00 63.12 1oms s PRO 86 Cb -0.24 -2.15 -0.02 0.00 0.02 0.00 0.00 34.50 32.10 1oms s PRO 86 CO -0.02 -1.05 -0.07 0.00 -0.33 0.00 0.00 177.00 175.53 1oms s ALA 87 N -1.47 2.84 0.00 -1.55 0.00 0.17 -4.70 121.76 117.04 1oms s ALA 87 Ca 0.72 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1oms s ALA 87 Cb -0.34 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1oms s ALA 87 CO 0.39 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.64 1oms n GLY 88 N 3.81 -0.39 3.67 0.00 0.00 -1.26 -4.37 105.19 106.64 1oms n GLY 88 Ca -0.18 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 1oms n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oms s ALA 89 N -1.44 3.54 0.72 4.61 0.00 -1.26 -5.04 121.76 122.89 1oms s ALA 89 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 51.96 51.41 1oms s ALA 89 Cb 0.00 -2.74 0.03 0.00 0.00 0.00 0.00 23.12 20.41 1oms s ALA 89 CO 0.00 -0.36 1.08 -1.25 0.00 0.00 0.00 175.76 175.23 1oms s PRO 90 N 1.46 2.59 -0.20 0.00 0.04 -1.26 -4.97 135.00 132.66 1oms s PRO 90 Ca 0.22 1.15 -0.05 0.00 0.04 0.00 0.00 61.00 62.37 1oms s PRO 90 Cb -0.15 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1oms s PRO 90 CO 0.09 -1.38 -0.00 0.99 0.04 0.00 0.00 177.00 176.73 1oms s THR 91 N -2.82 3.88 -0.11 1.26 2.01 0.53 -4.95 115.64 115.45 1oms s THR 91 Ca 0.61 -0.33 -0.21 0.00 0.31 0.00 0.00 61.69 62.07 1oms s THR 91 Cb -0.17 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 1oms s THR 91 CO 0.52 0.42 0.61 -0.31 -0.69 0.00 0.00 174.62 175.18 1oms s TYR 92 N 1.07 3.52 -0.59 4.92 2.02 -1.26 -0.52 117.35 126.51 1oms s TYR 92 Ca 0.02 1.07 0.03 0.00 -0.37 0.00 0.00 57.07 57.81 1oms s TYR 92 Cb -0.14 -2.72 0.15 0.00 -0.40 0.00 0.00 41.96 38.84 1oms s TYR 92 CO 0.01 0.07 0.35 0.08 -1.57 0.00 0.00 175.55 174.49 1oms s VAL 93 N 0.94 2.94 0.42 0.71 1.01 0.13 -4.99 120.40 121.56 1oms s VAL 93 Ca 0.32 -3.43 -0.24 0.00 0.00 0.00 0.00 61.98 58.63 1oms s VAL 93 Cb -0.16 -2.98 -0.08 0.00 0.00 0.00 0.00 36.38 33.15 1oms s VAL 93 CO 0.14 -0.86 1.19 -2.16 0.00 0.00 0.00 175.10 173.41 1oms s PRO 94 N -0.48 3.93 0.47 2.72 0.04 -1.26 -1.27 135.00 139.16 1oms s PRO 94 Ca 0.19 1.86 -0.03 0.00 0.04 0.00 0.00 61.00 63.06 1oms s PRO 94 Cb -0.21 -2.59 0.10 0.00 0.04 0.00 0.00 34.50 31.84 1oms s PRO 94 CO -0.04 -0.43 0.65 0.41 0.04 0.00 0.00 177.00 177.63 1oms n GLY 95 N 0.58 0.17 3.76 0.56 0.00 -0.79 -4.93 105.19 104.54 1oms n GLY 95 Ca 0.05 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 1oms n GLY 95 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1oms s GLU 96 N -4.20 4.61 -0.22 1.61 2.12 -1.26 -4.95 118.70 116.41 1oms s GLU 96 Ca 0.41 1.85 -0.09 0.00 0.36 0.00 0.00 54.97 57.50 1oms s GLU 96 Cb -0.02 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 1oms s GLU 96 CO 0.28 0.17 0.11 -0.47 -0.54 0.00 0.00 175.26 174.80 1oms s TYR 97 N -1.16 3.23 -0.20 5.30 5.04 -1.26 -4.74 117.35 123.55 1oms s TYR 97 Ca 0.45 0.01 -0.03 0.00 -2.44 0.00 0.00 57.07 55.06 1oms s TYR 97 Cb -0.33 -2.20 -0.01 0.00 0.35 0.00 0.00 41.96 39.77 1oms s TYR 97 CO 0.42 -0.02 -0.05 0.15 -1.34 0.00 0.00 175.55 174.71 1oms s LYS 98 N 0.99 3.43 -0.15 4.97 1.02 -1.26 -5.07 119.74 123.67 1oms s LYS 98 Ca 0.05 -0.61 -0.39 0.00 0.02 0.00 0.00 55.97 55.04 1oms s LYS 98 Cb -0.14 -2.96 -0.16 0.00 -0.52 0.00 0.00 37.83 34.05 1oms s LYS 98 CO 0.03 -0.09 1.63 -0.11 -0.92 0.00 0.00 175.35 175.90 1oms n LEU 99 N 4.48 2.26 0.00 3.17 7.94 -1.26 -1.29 117.00 132.31 1oms n LEU 99 Ca -0.18 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 1oms n LEU 99 Cb 0.51 -1.18 0.00 0.00 0.53 0.00 0.00 43.42 43.29 1oms n LEU 99 CO 0.30 -0.58 0.00 0.61 -1.11 0.00 0.00 177.39 176.61 1oms n GLY 100 N 3.71 0.53 3.69 -3.96 0.00 -1.26 -5.03 105.19 102.86 1oms n GLY 100 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 1oms n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oms s GLU 101 N -0.20 2.16 0.61 1.61 2.02 -0.41 -4.87 118.70 119.62 1oms s GLU 101 Ca 0.00 -1.82 -0.18 0.00 0.02 0.00 0.00 54.97 52.99 1oms s GLU 101 Cb 0.00 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 32.27 1oms s GLU 101 CO 0.00 -0.01 1.21 -0.51 0.02 0.00 0.00 175.26 175.98 1oms s ASP 102 N -3.81 5.02 -0.09 -0.19 1.01 -1.26 -4.33 116.67 113.01 1oms s ASP 102 Ca 0.38 2.40 0.03 0.00 0.71 0.00 0.00 52.55 56.07 1oms s ASP 102 Cb 0.03 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.37 1oms s ASP 102 CO 0.21 -1.71 -0.18 0.12 0.21 0.00 0.00 175.17 173.82 1oms s PHE 103 N -1.64 2.04 -0.01 4.23 5.36 -0.10 -4.76 117.98 123.10 1oms s PHE 103 Ca 0.77 -0.83 0.06 0.00 -0.96 0.00 0.00 56.93 55.97 1oms s PHE 103 Cb -0.31 -1.42 -0.03 0.00 -0.34 0.00 0.00 43.02 40.93 1oms s PHE 103 CO 0.35 -0.38 -0.20 0.99 -1.46 0.00 0.00 175.22 174.53 1oms s THR 104 N 0.57 2.60 0.21 0.12 2.01 -1.26 0.69 115.64 120.59 1oms s THR 104 Ca -0.15 -1.01 -0.12 0.00 0.31 0.00 0.00 61.69 60.73 1oms s THR 104 Cb -0.17 -2.00 -0.00 0.00 0.01 0.00 0.00 72.50 70.34 1oms s THR 104 CO 0.05 0.51 0.40 -0.72 -0.69 0.00 0.00 174.62 174.18 1oms s TYR 105 N -0.74 0.36 0.16 4.92 -0.85 -0.42 -1.89 117.35 118.89 1oms s TYR 105 Ca 0.12 -0.71 0.07 0.00 -0.52 0.00 0.00 57.07 56.03 1oms s TYR 105 Cb -0.10 0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 1oms s TYR 105 CO 0.01 -0.88 -0.14 -1.12 -1.52 0.00 0.00 175.55 171.90 1oms s SER 106 N -2.99 2.25 -0.07 -0.18 0.01 -0.40 -0.86 113.70 111.45 1oms s SER 106 Ca 0.20 -0.90 0.01 0.00 1.31 0.00 0.00 55.95 56.56 1oms s SER 106 Cb 0.01 -0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.17 1oms s SER 106 CO 0.05 -0.16 -0.07 -0.69 0.41 0.00 0.00 173.24 172.78 1oms s VAL 107 N -2.52 0.80 -0.08 3.43 1.01 0.69 0.19 120.40 123.92 1oms s VAL 107 Ca 0.15 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1oms s VAL 107 Cb -0.03 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1oms s VAL 107 CO 0.04 0.30 -0.09 -1.61 0.00 0.00 0.00 175.10 173.75 1oms s GLU 108 N 1.22 2.89 0.08 2.72 2.02 0.32 -1.03 118.70 126.92 1oms s GLU 108 Ca -0.05 -0.59 -0.27 0.00 0.02 0.00 0.00 54.97 54.08 1oms s GLU 108 Cb -0.14 -2.59 0.08 0.00 0.10 0.00 0.00 34.13 31.58 1oms s GLU 108 CO -0.02 0.55 0.97 -0.59 0.02 0.00 0.00 175.26 176.19 1oms s PHE 109 N -0.51 -0.19 0.06 1.61 -0.12 -0.98 -0.35 117.98 117.51 1oms s PHE 109 Ca 0.07 -0.04 0.01 0.00 -0.05 0.00 0.00 56.93 56.92 1oms s PHE 109 Cb -0.12 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 1oms s PHE 109 CO 0.02 -0.68 0.16 -1.21 -0.05 0.00 0.00 175.22 173.46 1oms s GLU 110 N -3.14 3.22 0.40 1.99 0.41 -1.26 -0.60 118.70 119.72 1oms s GLU 110 Ca 0.10 -0.53 0.08 0.00 -0.41 0.00 0.00 54.97 54.21 1oms s GLU 110 Cb -0.01 -2.92 -0.02 0.00 -1.78 0.00 0.00 34.13 29.40 1oms s GLU 110 CO -0.02 0.60 0.35 0.14 -0.49 0.00 0.00 175.26 175.84 1oms s VAL 111 N -1.45 2.83 0.12 2.63 -7.23 0.15 0.41 120.40 117.87 1oms s VAL 111 Ca 0.32 -1.37 -0.27 0.00 -1.81 0.00 0.00 61.98 58.86 1oms s VAL 111 Cb -0.13 -3.03 -0.07 0.00 0.56 0.00 0.00 36.38 33.71 1oms s VAL 111 CO 0.25 -0.04 0.83 -0.31 -0.31 0.00 0.00 175.10 175.52 1oms s TYR 112 N -2.44 3.84 0.93 2.82 1.51 -0.91 -4.64 117.35 118.46 1oms s TYR 112 Ca 0.46 1.66 -0.12 0.00 -1.01 0.00 0.00 57.07 58.06 1oms s TYR 112 Cb -0.03 -2.87 0.15 0.00 -0.11 0.00 0.00 41.96 39.09 1oms s TYR 112 CO 0.27 0.36 1.09 -1.25 -1.11 0.00 0.00 175.55 174.92 1oms s PRO 113 N -0.55 1.02 0.24 -1.71 0.04 -1.26 -4.91 135.00 127.87 1oms s PRO 113 Ca 0.40 0.72 -0.31 0.00 0.04 0.00 0.00 61.00 61.85 1oms s PRO 113 Cb -0.23 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 1oms s PRO 113 CO 0.27 -2.38 1.62 -1.21 0.04 0.00 0.00 177.00 175.34 1oms s GLU 114 N -4.95 4.15 -0.10 4.56 0.41 -1.26 -4.86 118.70 116.65 1oms s GLU 114 Ca 0.64 2.54 -0.30 0.00 -0.41 0.00 0.00 54.97 57.44 1oms s GLU 114 Cb -0.18 -3.06 -0.08 0.00 -1.78 0.00 0.00 34.13 29.03 1oms s GLU 114 CO 0.57 -0.65 2.09 1.55 -0.49 0.00 0.00 175.26 178.33 1oms n VAL 115 N 3.01 0.55 -4.01 2.63 3.14 -1.26 -4.94 118.33 117.45 1oms n VAL 115 Ca 0.11 -0.28 -0.34 0.00 -2.96 0.00 0.00 64.34 60.87 1oms n VAL 115 Cb 0.37 -2.36 -0.10 0.00 -1.06 0.00 0.00 33.84 30.69 1oms n VAL 115 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1oms s GLU 116 N 5.32 3.97 0.00 1.45 2.12 -1.26 -5.32 118.70 124.97 1oms s GLU 116 Ca 0.95 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.93 1oms s GLU 116 Cb -0.43 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 30.75 1oms s GLU 116 CO 0.40 0.26 0.46 1.28 -0.54 0.00 0.00 175.26 177.12