#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4g s SER 2 N 0.00 -0.06 0.10 1.61 0.15 -1.26 -5.15 113.70 109.09 1x4g s SER 2 Ca 0.00 -0.05 -0.05 0.00 0.70 0.00 0.00 55.95 56.55 1x4g s SER 2 Cb 0.00 1.32 -0.02 0.00 -1.71 0.00 0.00 66.02 65.61 1x4g s SER 2 CO 0.00 -0.33 0.12 -0.44 1.20 0.00 0.00 173.24 173.80 1x4g s SER 3 N 2.61 0.24 0.00 5.45 0.01 -1.26 -5.15 113.70 115.60 1x4g s SER 3 Ca 0.11 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1x4g s SER 3 Cb -0.13 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1x4g s SER 3 CO -0.25 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.28 1x4g n GLY 4 N -0.06 1.72 2.62 3.44 0.00 -1.26 -5.12 105.19 106.53 1x4g n GLY 4 Ca -0.11 -2.02 -0.02 0.00 0.00 0.00 0.00 46.02 43.87 1x4g n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4g n SER 5 N 0.00 -4.92 -4.86 1.61 7.64 -1.26 -5.05 113.62 106.78 1x4g n SER 5 Ca 0.00 1.35 -0.22 0.00 1.01 0.00 0.00 58.87 61.01 1x4g n SER 5 Cb 0.00 -5.14 -0.03 0.00 -1.01 0.00 0.00 64.21 58.02 1x4g n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4g s SER 6 N -1.21 4.90 0.00 6.43 0.01 -1.26 -5.11 113.70 117.46 1x4g s SER 6 Ca -0.11 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1x4g s SER 6 Cb 0.01 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.79 1x4g s SER 6 CO 0.76 -0.69 0.01 0.61 0.41 0.00 0.00 173.24 174.34 1x4g n GLY 7 N -1.53 1.66 3.37 3.44 0.00 -1.26 -5.07 105.19 105.80 1x4g n GLY 7 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1x4g n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x4g s ASN 8 N -1.03 -0.38 -0.13 1.61 3.84 -1.26 -5.06 114.94 112.52 1x4g s ASN 8 Ca 0.00 -0.09 0.10 0.00 0.21 0.00 0.00 52.86 53.08 1x4g s ASN 8 Cb 0.00 0.51 -0.23 0.00 -0.55 0.00 0.00 41.25 40.98 1x4g s ASN 8 CO 0.00 -0.84 0.32 1.07 -2.79 0.00 0.00 177.10 174.86 1x4g n THR 9 N -0.08 1.55 -2.66 -5.21 5.66 -1.26 -5.07 114.28 107.21 1x4g n THR 9 Ca -0.17 -0.77 -0.05 0.00 -3.05 0.00 0.00 64.05 60.01 1x4g n THR 9 Cb 0.63 -1.01 -0.04 0.00 -1.55 0.00 0.00 70.33 68.36 1x4g n THR 9 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1x4g n LYS 10 N -3.05 -4.24 -4.09 1.09 4.76 -1.26 -4.36 118.16 107.02 1x4g n LYS 10 Ca -0.28 3.22 -0.27 0.00 -2.87 0.00 0.00 58.31 58.11 1x4g n LYS 10 Cb 1.08 -4.71 -0.03 0.00 -1.84 0.00 0.00 35.03 29.53 1x4g n LYS 10 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1x4g s GLN 11 N -0.69 2.25 -0.05 1.97 2.00 -1.26 -3.98 119.66 119.89 1x4g s GLN 11 Ca -0.24 -2.06 0.00 0.00 -2.00 0.00 0.00 55.36 51.06 1x4g s GLN 11 Cb 0.02 -1.97 0.02 0.00 0.80 0.00 0.00 33.01 31.88 1x4g s GLN 11 CO 0.72 -0.49 -0.03 -0.51 -0.50 0.00 0.00 175.29 174.49 1x4g s LEU 12 N -4.14 1.12 0.05 3.68 1.43 -1.25 -5.08 118.68 114.49 1x4g s LEU 12 Ca 0.29 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 1x4g s LEU 12 Cb -0.01 -0.46 -0.08 0.00 0.03 0.00 0.00 46.19 45.67 1x4g s LEU 12 CO 0.18 -0.10 1.72 -0.13 0.23 0.00 0.00 176.35 178.25 1x4g s ARG 13 N 1.25 4.18 0.22 1.70 1.81 -1.26 -4.57 118.95 122.27 1x4g s ARG 13 Ca -0.06 2.38 -0.08 0.00 -1.72 0.00 0.00 55.73 56.25 1x4g s ARG 13 Cb -0.14 -3.75 0.34 0.00 -0.45 0.00 0.00 34.95 30.96 1x4g s ARG 13 CO -0.02 -0.80 1.72 0.35 -0.68 0.00 0.00 175.30 175.87 1x4g h PHE 14 N 8.90 0.31 0.00 -0.53 3.04 -1.95 0.46 116.94 127.17 1x4g h PHE 14 Ca -0.43 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.54 1x4g h PHE 14 Cb 1.20 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 39.67 1x4g h PHE 14 CO 0.82 0.01 -0.06 0.93 -2.02 0.00 0.00 178.31 177.99 1x4g h GLU 15 N 0.33 0.00 0.04 1.11 5.08 -1.98 -0.22 114.58 118.94 1x4g h GLU 15 Ca 0.34 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.40 1x4g h GLU 15 Cb 0.50 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1x4g h GLU 15 CO -0.39 0.06 -1.67 0.22 -1.00 0.00 0.00 179.01 176.23 1x4g h ASP 16 N 0.00 0.12 -0.03 1.42 1.82 -0.74 -3.30 116.42 115.72 1x4g h ASP 16 Ca -0.00 -0.24 -0.08 0.00 -0.39 0.00 0.00 57.03 56.33 1x4g h ASP 16 Cb 0.26 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.23 1x4g h ASP 16 CO 0.01 1.21 -0.29 0.58 -1.61 0.00 0.00 179.24 179.14 1x4g h VAL 17 N 0.02 1.48 0.00 2.25 2.07 0.27 -1.24 116.25 121.11 1x4g h VAL 17 Ca -0.28 -1.83 -0.00 0.00 0.82 0.00 0.00 66.70 65.41 1x4g h VAL 17 Cb 2.00 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 34.32 1x4g h VAL 17 CO 0.10 0.51 -0.00 -0.37 0.02 0.00 0.00 177.57 177.82 1x4g h VAL 18 N -0.34 0.10 0.00 2.57 -1.51 -1.23 -1.42 116.25 114.42 1x4g h VAL 18 Ca -0.03 -0.04 -0.26 0.00 -1.23 0.00 0.00 66.70 65.14 1x4g h VAL 18 Cb 0.99 1.04 -0.05 0.00 -2.13 0.00 0.00 31.29 31.14 1x4g h VAL 18 CO 0.06 0.00 -1.91 0.59 -1.23 0.00 0.00 177.57 175.08 1x4g n ASN 19 N -3.22 0.46 -0.34 4.19 3.02 -1.19 -4.27 115.26 113.91 1x4g n ASN 19 Ca -0.03 0.21 0.21 0.00 -0.03 0.00 0.00 54.58 54.94 1x4g n ASN 19 Cb 0.09 0.60 0.43 0.00 -0.61 0.00 0.00 39.78 40.28 1x4g n ASN 19 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1x4g h GLN 20 N 0.00 0.43 -4.04 3.52 4.20 -0.07 -3.40 115.11 115.75 1x4g h GLN 20 Ca -0.32 -0.03 -0.22 0.00 0.06 0.00 0.00 58.65 58.14 1x4g h GLN 20 Cb 1.89 -0.10 -0.24 0.00 0.30 0.00 0.00 27.48 29.33 1x4g h GLN 20 CO 0.04 0.29 -0.72 -1.12 -0.67 0.00 0.00 178.83 176.65 1x4g s SER 21 N -5.05 0.32 0.78 1.46 0.01 -1.24 -5.11 113.70 104.86 1x4g s SER 21 Ca -0.10 -0.33 -0.16 0.00 1.31 0.00 0.00 55.95 56.67 1x4g s SER 21 Cb 0.29 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.52 1x4g s SER 21 CO 0.79 -0.17 0.34 -1.20 0.41 0.00 0.00 173.24 173.42 1x4g n SER 22 N 2.12 -1.98 0.05 2.44 7.64 -1.26 -4.86 113.62 117.77 1x4g n SER 22 Ca -0.19 0.51 -0.05 0.00 1.01 0.00 0.00 58.87 60.14 1x4g n SER 22 Cb 0.57 -1.15 0.15 0.00 -1.01 0.00 0.00 64.21 62.77 1x4g n SER 22 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1x4g h PRO 23 N -0.63 0.38 0.11 1.43 0.13 -1.97 -3.27 132.00 128.18 1x4g h PRO 23 Ca -0.45 -0.20 0.02 0.00 -0.87 0.00 0.00 66.00 64.50 1x4g h PRO 23 Cb 1.34 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.43 1x4g h PRO 23 CO 0.39 0.76 -0.45 0.87 -0.23 0.00 0.00 178.00 179.35 1x4g h LYS 24 N 0.31 -0.65 -5.81 0.86 1.57 -2.00 -3.36 116.57 107.49 1x4g h LYS 24 Ca 0.02 0.04 -0.61 0.00 -1.87 0.00 0.00 60.65 58.23 1x4g h LYS 24 Cb 0.92 0.15 -0.12 0.00 0.08 0.00 0.00 32.23 33.25 1x4g h LYS 24 CO 0.08 -0.43 0.56 1.21 -0.57 0.00 0.00 179.45 180.30 1x4g s ASN 25 N -4.70 6.32 -0.38 0.86 2.47 -1.23 -4.97 114.94 113.30 1x4g s ASN 25 Ca -0.16 -0.43 -0.03 0.00 0.42 0.00 0.00 52.86 52.66 1x4g s ASN 25 Cb 0.07 -2.43 0.09 0.00 -1.45 0.00 0.00 41.25 37.53 1x4g s ASN 25 CO 0.63 -1.26 0.15 0.00 -3.72 0.00 0.00 177.10 172.90 1x4g s THR 27 N 1.18 1.21 -0.25 0.00 2.01 -1.26 -2.84 115.64 115.70 1x4g s THR 27 Ca 0.05 -1.48 0.00 0.00 0.31 0.00 0.00 61.69 60.57 1x4g s THR 27 Cb -0.22 -1.28 0.07 0.00 0.01 0.00 0.00 72.50 71.08 1x4g s THR 27 CO -0.03 -0.30 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.89 1x4g s VAL 28 N -1.64 1.39 -0.36 3.82 1.01 0.13 -3.37 120.40 121.39 1x4g s VAL 28 Ca 0.03 -1.25 -0.19 0.00 0.00 0.00 0.00 61.98 60.56 1x4g s VAL 28 Cb -0.08 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1x4g s VAL 28 CO 0.02 -0.22 0.58 -0.47 0.00 0.00 0.00 175.10 175.01 1x4g s TYR 29 N 1.44 3.16 -0.33 5.22 6.14 -0.02 -1.53 117.35 131.42 1x4g s TYR 29 Ca -0.02 0.26 -0.09 0.00 0.64 0.00 0.00 57.07 57.86 1x4g s TYR 29 Cb -0.18 -3.05 0.01 0.00 0.42 0.00 0.00 41.96 39.16 1x4g s TYR 29 CO -0.09 -0.59 0.15 0.00 0.64 0.00 0.00 175.55 175.66 1x4g s GLY 31 N 1.54 1.04 0.00 0.00 0.00 0.17 0.53 107.32 110.60 1x4g s GLY 31 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1x4g s GLY 31 CO 0.05 -0.37 0.00 0.61 0.00 0.00 0.00 173.10 173.39 1x4g n GLY 32 N 3.21 1.74 3.73 0.20 0.00 -0.97 0.24 105.19 113.35 1x4g n GLY 32 Ca -0.19 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 1x4g n GLY 32 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x4g n ILE 33 N 0.00 2.82 0.00 -0.61 5.41 -1.26 -4.79 119.36 120.93 1x4g n ILE 33 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1x4g n ILE 33 Cb 0.00 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.22 1x4g n ILE 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1x4g n ALA 34 N -0.31 2.45 -1.19 -1.39 0.00 -1.26 -4.15 120.51 114.66 1x4g n ALA 34 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1x4g n ALA 34 Cb 0.41 0.09 0.24 0.00 0.00 0.00 0.00 19.45 20.18 1x4g n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x4g n SER 35 N -2.08 3.40 -2.60 0.00 2.88 -1.26 -4.55 113.62 109.41 1x4g n SER 35 Ca 0.00 -3.37 -0.02 0.00 -1.33 0.00 0.00 58.87 54.15 1x4g n SER 35 Cb 0.09 -0.61 0.12 0.00 -0.75 0.00 0.00 64.21 63.05 1x4g n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4g n GLY 36 N -0.76 1.97 3.46 0.46 0.00 -1.26 -5.09 105.19 103.96 1x4g n GLY 36 Ca 0.30 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1x4g n GLY 36 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x4g s LEU 37 N -3.92 5.12 -0.03 0.99 0.20 -1.26 -4.98 118.68 114.80 1x4g s LEU 37 Ca 0.09 -0.91 -0.04 0.00 0.69 0.00 0.00 54.13 53.96 1x4g s LEU 37 Cb 0.42 -2.16 0.01 0.00 -0.43 0.00 0.00 46.19 44.03 1x4g s LEU 37 CO -0.12 -0.46 0.10 0.42 -0.29 0.00 0.00 176.35 176.01 1x4g s THR 38 N 1.68 0.02 0.25 3.68 -4.23 -1.26 -4.72 115.64 111.06 1x4g s THR 38 Ca 0.05 -0.18 -0.07 0.00 -1.18 0.00 0.00 61.69 60.32 1x4g s THR 38 Cb -0.19 -0.21 0.27 0.00 1.34 0.00 0.00 72.50 73.71 1x4g s THR 38 CO 0.10 -0.10 1.64 -0.78 -0.54 0.00 0.00 174.62 174.94 1x4g h ASP 39 N 5.61 -0.31 -0.65 3.99 1.82 -1.96 0.13 116.42 125.04 1x4g h ASP 39 Ca -0.26 0.19 0.11 0.00 -0.39 0.00 0.00 57.03 56.68 1x4g h ASP 39 Cb 1.20 0.33 -0.08 0.00 0.68 0.00 0.00 39.33 41.46 1x4g h ASP 39 CO 0.43 -0.17 0.22 -0.61 -1.61 0.00 0.00 179.24 177.50 1x4g h GLN 40 N 0.11 0.37 0.21 0.28 4.15 -1.96 0.33 115.11 118.60 1x4g h GLN 40 Ca 0.42 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.81 1x4g h GLN 40 Cb 0.73 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 1x4g h GLN 40 CO -0.65 0.24 -0.26 1.25 -1.93 0.00 0.00 178.83 177.48 1x4g h LEU 41 N 0.38 -0.72 -1.48 -2.39 5.85 -1.13 0.82 115.31 116.64 1x4g h LEU 41 Ca 0.34 0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.20 1x4g h LEU 41 Cb 0.47 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1x4g h LEU 41 CO -0.36 -0.32 0.45 0.24 -0.34 0.00 0.00 178.44 178.11 1x4g h MET 42 N -0.48 0.59 -0.03 1.25 2.86 -1.25 0.74 114.93 118.61 1x4g h MET 42 Ca -0.03 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.46 1x4g h MET 42 Cb 0.43 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1x4g h MET 42 CO -0.06 0.39 -0.52 -0.09 1.06 0.00 0.00 176.91 177.70 1x4g h ARG 43 N 0.61 0.08 0.00 1.72 2.43 0.15 -0.64 114.38 118.73 1x4g h ARG 43 Ca 0.31 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1x4g h ARG 43 Cb 0.41 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1x4g h ARG 43 CO -0.10 0.58 -1.14 0.94 -1.51 0.00 0.00 179.97 178.73 1x4g n GLN 44 N -3.93 0.61 -0.04 0.20 7.27 0.28 -2.18 117.38 119.59 1x4g n GLN 44 Ca -0.02 0.14 -0.17 0.00 0.07 0.00 0.00 57.00 57.02 1x4g n GLN 44 Cb 0.54 -1.81 -0.13 0.00 2.41 0.00 0.00 30.24 31.24 1x4g n GLN 44 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1x4g h THR 45 N 0.00 1.55 0.00 1.69 2.02 0.53 -3.35 112.91 115.36 1x4g h THR 45 Ca -0.04 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.76 1x4g h THR 45 Cb 1.16 3.13 0.00 0.00 -1.74 0.00 0.00 68.15 70.70 1x4g h THR 45 CO 0.01 0.60 -0.41 0.49 0.37 0.00 0.00 175.52 176.59 1x4g n PHE 46 N -4.42 0.51 -0.36 3.16 3.72 -0.26 -4.25 117.46 115.56 1x4g n PHE 46 Ca -0.15 0.15 -0.09 0.00 -0.05 0.00 0.00 57.45 57.30 1x4g n PHE 46 Cb 0.62 -0.65 -0.09 0.00 -0.94 0.00 0.00 39.48 38.43 1x4g n PHE 46 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1x4g n SER 47 N -2.00 -0.90 0.01 4.37 2.88 -0.93 -1.56 113.62 115.48 1x4g n SER 47 Ca 0.04 1.65 -0.13 0.00 -1.33 0.00 0.00 58.87 59.11 1x4g n SER 47 Cb 0.41 -0.26 -0.10 0.00 -0.75 0.00 0.00 64.21 63.51 1x4g n SER 47 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1x4g h PRO 48 N 0.00 -0.05 -1.69 -1.46 0.13 -1.80 -3.13 132.00 124.00 1x4g h PRO 48 Ca 0.14 0.00 0.49 0.00 -0.87 0.00 0.00 66.00 65.76 1x4g h PRO 48 Cb 0.35 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.42 1x4g h PRO 48 CO -0.80 0.42 1.36 1.19 -0.23 0.00 0.00 178.00 179.94 1x4g n PHE 49 N -4.89 0.00 -3.68 1.56 3.72 -0.88 -4.78 117.46 108.52 1x4g n PHE 49 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1x4g n PHE 49 Cb 0.25 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 1x4g n PHE 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x4g n GLY 50 N -1.86 -0.67 3.87 1.37 0.00 -0.60 -4.60 105.19 102.69 1x4g n GLY 50 Ca 0.38 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 1x4g n GLY 50 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x4g s GLN 51 N -1.37 3.76 -0.09 1.61 0.74 -1.26 -4.37 119.66 118.68 1x4g s GLN 51 Ca 0.00 0.17 0.04 0.00 0.05 0.00 0.00 55.36 55.62 1x4g s GLN 51 Cb 0.00 -3.02 0.00 0.00 1.10 0.00 0.00 33.01 31.10 1x4g s GLN 51 CO 0.00 0.57 -0.21 0.42 -0.55 0.00 0.00 175.29 175.52 1x4g s ILE 52 N -1.37 1.85 -0.20 -2.34 1.01 -1.26 -4.09 121.20 114.80 1x4g s ILE 52 Ca 0.32 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.91 1x4g s ILE 52 Cb -0.14 -1.61 -0.20 0.00 0.01 0.00 0.00 42.46 40.52 1x4g s ILE 52 CO 0.18 0.51 0.14 0.23 0.00 0.00 0.00 174.94 176.00 1x4g n MET 53 N 3.55 0.62 -3.91 2.79 2.81 -0.67 -4.99 117.12 117.33 1x4g n MET 53 Ca -0.20 0.43 -0.10 0.00 -1.81 0.00 0.00 57.70 56.02 1x4g n MET 53 Cb 0.53 -1.69 -0.10 0.00 -0.71 0.00 0.00 33.22 31.24 1x4g n MET 53 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1x4g s GLU 54 N -2.44 0.42 -0.03 0.03 2.12 -1.26 -5.04 118.70 112.51 1x4g s GLU 54 Ca -0.29 -0.47 0.02 0.00 0.36 0.00 0.00 54.97 54.59 1x4g s GLU 54 Cb 0.08 0.17 0.01 0.00 0.26 0.00 0.00 34.13 34.64 1x4g s GLU 54 CO 0.62 -0.09 -0.06 0.42 -0.54 0.00 0.00 175.26 175.61 1x4g s ILE 55 N -1.39 0.57 -0.24 -3.70 1.01 -1.26 -2.66 121.20 113.52 1x4g s ILE 55 Ca -0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1x4g s ILE 55 Cb -0.08 -0.54 0.07 0.00 0.01 0.00 0.00 42.46 41.92 1x4g s ILE 55 CO 0.01 0.20 0.04 -0.13 0.00 0.00 0.00 174.94 175.06 1x4g s ARG 56 N 0.40 0.86 -0.18 2.79 1.81 -0.16 -4.95 118.95 119.51 1x4g s ARG 56 Ca -0.05 -0.77 -0.12 0.00 -1.72 0.00 0.00 55.73 53.06 1x4g s ARG 56 Cb -0.09 -2.16 -0.05 0.00 -0.45 0.00 0.00 34.95 32.19 1x4g s ARG 56 CO 0.00 -0.76 0.22 0.14 -0.68 0.00 0.00 175.30 174.22 1x4g s VAL 57 N 1.68 5.35 -0.66 3.52 -7.23 -1.26 0.10 120.40 121.89 1x4g s VAL 57 Ca 0.02 0.38 0.04 0.00 -1.81 0.00 0.00 61.98 60.61 1x4g s VAL 57 Cb -0.17 -3.56 0.16 0.00 0.56 0.00 0.00 36.38 33.37 1x4g s VAL 57 CO -0.14 0.40 0.45 -0.36 -0.31 0.00 0.00 175.10 175.14 1x4g s PHE 58 N 0.49 3.48 -1.60 2.82 0.40 0.90 -4.91 117.98 119.55 1x4g s PHE 58 Ca 0.13 -3.24 0.15 0.00 -0.60 0.00 0.00 56.93 53.36 1x4g s PHE 58 Cb -0.12 -2.81 0.79 0.00 0.51 0.00 0.00 43.02 41.39 1x4g s PHE 58 CO 0.01 -0.63 1.38 -0.35 0.70 0.00 0.00 175.22 176.33 1x4g n PRO 59 N 2.40 0.29 -0.04 0.24 -0.04 -1.26 -0.60 135.00 135.99 1x4g n PRO 59 Ca 0.15 0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.61 1x4g n PRO 59 Cb 0.34 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 1x4g n PRO 59 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1x4g n GLU 60 N -1.20 0.65 -0.11 0.54 4.07 -1.26 -4.42 120.64 118.92 1x4g n GLU 60 Ca 0.08 0.23 -0.12 0.00 -0.06 0.00 0.00 57.16 57.29 1x4g n GLU 60 Cb 0.10 -1.72 -0.15 0.00 -0.06 0.00 0.00 31.44 29.61 1x4g n GLU 60 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1x4g n LYS 61 N -3.02 0.73 0.00 5.31 4.76 -1.00 -5.03 118.16 119.91 1x4g n LYS 61 Ca -0.22 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 1x4g n LYS 61 Cb 1.07 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.75 1x4g n LYS 61 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x4g n GLY 62 N 1.91 1.39 3.56 0.72 0.00 0.23 -5.04 105.19 107.96 1x4g n GLY 62 Ca -0.36 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 1x4g n GLY 62 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x4g s TYR 63 N -2.00 0.21 0.21 1.61 -0.85 -1.05 -2.29 117.35 113.19 1x4g s TYR 63 Ca 0.00 -0.58 -0.03 0.00 -0.52 0.00 0.00 57.07 55.94 1x4g s TYR 63 Cb 0.00 0.25 -0.03 0.00 0.38 0.00 0.00 41.96 42.55 1x4g s TYR 63 CO 0.00 -0.96 0.19 0.45 -1.52 0.00 0.00 175.55 173.71 1x4g s SER 64 N -2.97 0.11 -0.01 -0.18 0.15 0.19 -0.07 113.70 110.91 1x4g s SER 64 Ca 0.18 -1.30 0.04 0.00 0.70 0.00 0.00 55.95 55.57 1x4g s SER 64 Cb -0.01 0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 64.71 1x4g s SER 64 CO 0.05 -0.89 -0.12 -0.36 1.20 0.00 0.00 173.24 173.12 1x4g s PHE 65 N -4.13 1.04 -0.20 3.44 0.08 0.28 -2.07 117.98 116.42 1x4g s PHE 65 Ca 0.35 -0.20 -0.04 0.00 0.12 0.00 0.00 56.93 57.16 1x4g s PHE 65 Cb 0.06 -0.67 0.10 0.00 -0.57 0.00 0.00 43.02 41.93 1x4g s PHE 65 CO 0.11 -0.02 0.28 0.08 -0.10 0.00 0.00 175.22 175.57 1x4g s VAL 66 N -0.25 -0.44 -0.14 -0.44 1.01 -0.59 -0.99 120.40 118.57 1x4g s VAL 66 Ca 0.04 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 1x4g s VAL 66 Cb -0.05 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1x4g s VAL 66 CO -0.00 -0.09 0.17 -0.13 0.00 0.00 0.00 175.10 175.04 1x4g s ARG 67 N 2.42 3.75 0.09 2.72 3.00 -1.09 0.21 118.95 130.06 1x4g s ARG 67 Ca 0.07 -0.10 0.05 0.00 0.00 0.00 0.00 55.73 55.74 1x4g s ARG 67 Cb -0.15 -3.27 -0.04 0.00 0.00 0.00 0.00 34.95 31.49 1x4g s ARG 67 CO -0.12 0.60 0.00 -0.06 0.00 0.00 0.00 175.30 175.72 1x4g s PHE 68 N -0.53 2.98 0.19 -0.53 0.40 -1.13 -1.66 117.98 117.70 1x4g s PHE 68 Ca 0.14 -0.03 0.35 0.00 -0.60 0.00 0.00 56.93 56.79 1x4g s PHE 68 Cb -0.12 -1.53 1.68 0.00 0.51 0.00 0.00 43.02 43.56 1x4g s PHE 68 CO 0.03 0.48 2.05 0.66 0.70 0.00 0.00 175.22 179.14 1x4g h SER 69 N 3.40 0.00 -4.94 1.36 4.64 -1.90 -3.43 113.55 112.67 1x4g h SER 69 Ca -0.48 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.54 1x4g h SER 69 Cb 1.17 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.11 1x4g h SER 69 CO 0.60 0.00 -0.62 0.42 -0.87 0.00 0.00 176.83 176.36 1x4g s THR 70 N -3.78 0.33 -0.00 2.95 -4.23 -1.26 -5.05 115.64 104.60 1x4g s THR 70 Ca -0.01 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.47 1x4g s THR 70 Cb 0.10 -2.58 -0.27 0.00 1.34 0.00 0.00 72.50 71.08 1x4g s THR 70 CO 0.43 0.00 0.84 -0.74 -0.54 0.00 0.00 174.62 174.62 1x4g h HIS 71 N 2.48 0.44 0.59 3.99 2.76 -1.86 -3.34 115.15 120.21 1x4g h HIS 71 Ca -0.37 -0.32 -0.03 0.00 -2.20 0.00 0.00 60.37 57.45 1x4g h HIS 71 Cb 1.25 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.19 1x4g h HIS 71 CO 0.42 1.38 -0.31 0.93 -1.30 0.00 0.00 177.93 179.05 1x4g h GLU 72 N 0.07 -0.79 -0.98 5.26 3.07 -1.97 -0.59 114.58 118.65 1x4g h GLU 72 Ca -0.25 0.05 0.11 0.00 -0.50 0.00 0.00 59.36 58.78 1x4g h GLU 72 Cb 2.01 0.18 -0.13 0.00 -0.84 0.00 0.00 28.75 29.97 1x4g h GLU 72 CO 0.16 -0.53 -0.50 0.43 -1.40 0.00 0.00 179.01 177.17 1x4g n SER 73 N -4.31 -0.87 -0.21 1.42 7.64 -1.26 0.34 113.62 116.37 1x4g n SER 73 Ca -0.10 1.73 -0.01 0.00 1.01 0.00 0.00 58.87 61.49 1x4g n SER 73 Cb 0.33 -0.29 0.09 0.00 -1.01 0.00 0.00 64.21 63.33 1x4g n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x4g h ALA 74 N 0.84 0.83 -0.29 -0.43 0.00 -1.66 -0.69 119.26 117.85 1x4g h ALA 74 Ca 0.23 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1x4g h ALA 74 Cb 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1x4g h ALA 74 CO -0.94 -0.04 0.20 0.00 0.00 0.00 0.00 179.25 178.46 1x4g h ALA 75 N 1.35 2.06 -0.29 0.00 0.00 0.16 0.08 119.26 122.63 1x4g h ALA 75 Ca 0.29 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.02 1x4g h ALA 75 Cb 0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1x4g h ALA 75 CO -0.21 -0.12 -0.50 0.45 0.00 0.00 0.00 179.25 178.88 1x4g h HIS 76 N 0.17 0.99 -0.10 0.00 3.86 0.65 -1.56 115.15 119.14 1x4g h HIS 76 Ca 0.13 -0.33 -0.21 0.00 -1.16 0.00 0.00 60.37 58.79 1x4g h HIS 76 Cb 0.30 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1x4g h HIS 76 CO -0.00 1.13 -0.79 0.00 0.86 0.00 0.00 177.93 179.13 1x4g h ALA 77 N 0.81 0.42 0.34 2.45 0.00 -0.84 -3.01 119.26 119.44 1x4g h ALA 77 Ca 0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1x4g h ALA 77 Cb 1.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1x4g h ALA 77 CO 0.11 0.73 -0.17 0.82 0.00 0.00 0.00 179.25 180.74 1x4g h ILE 78 N 0.40 0.60 -1.00 0.00 2.04 -1.01 0.70 117.51 119.24 1x4g h ILE 78 Ca -0.05 -0.59 0.22 0.00 1.00 0.00 0.00 64.86 65.43 1x4g h ILE 78 Cb 1.40 0.88 -0.10 0.00 -0.74 0.00 0.00 36.82 38.26 1x4g h ILE 78 CO 0.15 0.10 0.62 -0.37 0.00 0.00 0.00 178.15 178.66 1x4g h VAL 79 N -0.83 0.63 0.00 1.67 -1.51 -1.39 0.38 116.25 115.21 1x4g h VAL 79 Ca -0.05 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1x4g h VAL 79 Cb 0.53 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.69 1x4g h VAL 79 CO 0.08 0.11 0.00 -0.24 -1.23 0.00 0.00 177.57 176.28 1x4g n SER 80 N -4.70 0.00 -0.52 4.19 2.88 -1.13 -3.82 113.62 110.52 1x4g n SER 80 Ca 0.24 0.35 0.42 0.00 -1.33 0.00 0.00 58.87 58.55 1x4g n SER 80 Cb 0.70 -0.49 0.71 0.00 -0.75 0.00 0.00 64.21 64.39 1x4g n SER 80 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1x4g h VAL 81 N 0.00 0.11 -1.15 2.46 2.07 0.43 -3.38 116.25 116.79 1x4g h VAL 81 Ca 0.00 -0.02 -0.39 0.00 0.82 0.00 0.00 66.70 67.12 1x4g h VAL 81 Cb 0.00 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1x4g h VAL 81 CO 0.00 0.01 1.40 -3.20 0.02 0.00 0.00 177.57 175.80 1x4g n ASN 82 N -4.42 1.86 0.00 0.57 2.85 0.13 -0.22 115.26 116.04 1x4g n ASN 82 Ca 0.39 -0.59 0.00 0.00 -0.11 0.00 0.00 54.58 54.26 1x4g n ASN 82 Cb 1.60 -1.48 0.00 0.00 1.24 0.00 0.00 39.78 41.14 1x4g n ASN 82 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x4g n GLY 83 N 6.19 1.17 3.92 8.20 0.00 -1.25 -4.38 105.19 119.04 1x4g n GLY 83 Ca 0.43 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 1x4g n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x4g s THR 84 N -2.00 5.09 -0.31 2.61 -4.23 0.70 -4.86 115.64 112.64 1x4g s THR 84 Ca 0.00 -0.93 -0.02 0.00 -1.18 0.00 0.00 61.69 59.56 1x4g s THR 84 Cb 0.00 -3.68 0.05 0.00 1.34 0.00 0.00 72.50 70.21 1x4g s THR 84 CO 0.00 -0.21 0.01 -0.89 -0.54 0.00 0.00 174.62 173.00 1x4g s THR 85 N -1.87 3.09 -0.25 3.99 2.01 -1.26 -1.42 115.64 119.92 1x4g s THR 85 Ca 0.34 -1.36 -0.08 0.00 0.31 0.00 0.00 61.69 60.90 1x4g s THR 85 Cb -0.10 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1x4g s THR 85 CO 0.28 -0.12 0.10 -0.63 -0.69 0.00 0.00 174.62 173.55 1x4g s ILE 86 N 1.27 4.61 -2.08 1.82 1.01 0.05 -4.38 121.20 123.51 1x4g s ILE 86 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1x4g s ILE 86 Cb -0.20 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1x4g s ILE 86 CO -0.01 0.33 0.00 -0.62 0.00 0.00 0.00 174.94 174.65 1x4g n GLU 87 N 4.78 -1.42 -0.55 2.79 -0.58 -1.26 -0.87 120.64 123.52 1x4g n GLU 87 Ca -0.16 1.18 0.00 0.00 -0.42 0.00 0.00 57.16 57.76 1x4g n GLU 87 Cb 0.52 -5.56 0.00 0.00 -0.57 0.00 0.00 31.44 25.82 1x4g n GLU 87 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x4g n GLY 88 N -0.57 0.70 3.09 0.62 0.00 -1.26 -5.06 105.19 102.71 1x4g n GLY 88 Ca -0.21 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1x4g n GLY 88 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x4g s HIS 89 N -2.00 2.23 -0.22 1.61 3.76 -0.05 -5.09 115.29 115.54 1x4g s HIS 89 Ca 0.00 -1.10 -0.29 0.00 -0.15 0.00 0.00 55.06 53.52 1x4g s HIS 89 Cb 0.00 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 32.09 1x4g s HIS 89 CO 0.00 -0.54 1.68 0.54 -0.85 0.00 0.00 174.74 175.57 1x4g s VAL 90 N 0.96 3.61 0.32 -0.90 0.11 -1.26 -0.77 120.40 122.47 1x4g s VAL 90 Ca -0.06 0.68 -0.09 0.00 -2.93 0.00 0.00 61.98 59.59 1x4g s VAL 90 Cb -0.15 -3.64 -0.06 0.00 -1.53 0.00 0.00 36.38 31.00 1x4g s VAL 90 CO -0.02 -0.28 0.64 0.68 -3.33 0.00 0.00 175.10 172.79 1x4g s VAL 91 N 5.48 4.90 -0.22 2.04 -7.23 -0.51 -4.16 120.40 120.70 1x4g s VAL 91 Ca 0.74 0.40 0.01 0.00 -1.81 0.00 0.00 61.98 61.33 1x4g s VAL 91 Cb -0.26 -3.70 0.05 0.00 0.56 0.00 0.00 36.38 33.03 1x4g s VAL 91 CO 0.31 -0.33 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.13 1x4g s LYS 92 N -3.46 2.01 -0.26 4.82 1.02 0.67 -3.82 119.74 120.72 1x4g s LYS 92 Ca 0.48 -0.98 -0.14 0.00 0.02 0.00 0.00 55.97 55.35 1x4g s LYS 92 Cb -0.11 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 1x4g s LYS 92 CO 0.28 -0.49 0.32 0.00 -0.92 0.00 0.00 175.35 174.54 1x4g n TYR 94 N 5.13 -0.28 -3.21 0.00 4.01 0.03 -4.82 117.16 118.02 1x4g n TYR 94 Ca -0.10 -2.02 -0.46 0.00 -0.16 0.00 0.00 57.90 55.16 1x4g n TYR 94 Cb 0.51 0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 39.63 1x4g n TYR 94 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1x4g s TRP 95 N -2.87 3.45 0.00 -0.72 0.52 -1.26 -0.84 118.94 117.23 1x4g s TRP 95 Ca 0.23 -1.63 0.00 0.00 0.02 0.00 0.00 56.10 54.72 1x4g s TRP 95 Cb 0.01 -3.95 0.00 0.00 -1.15 0.00 0.00 33.47 28.39 1x4g s TRP 95 CO 0.16 -1.15 0.50 0.41 0.02 0.00 0.00 176.95 176.90 1x4g n GLY 96 N 4.64 -2.80 2.51 0.98 0.00 -1.22 -4.89 105.19 104.41 1x4g n GLY 96 Ca 0.09 0.58 -0.03 0.00 0.00 0.00 0.00 46.02 46.67 1x4g n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x4g n LYS 97 N -1.41 -3.56 -3.66 1.61 4.81 -1.26 -4.98 118.16 109.70 1x4g n LYS 97 Ca 0.00 2.81 -0.36 0.00 -0.87 0.00 0.00 58.31 59.89 1x4g n LYS 97 Cb 0.00 -4.71 -0.09 0.00 0.02 0.00 0.00 35.03 30.25 1x4g n LYS 97 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1x4g s GLU 98 N -1.07 4.09 -0.31 1.64 4.04 -1.26 -5.00 118.70 120.83 1x4g s GLU 98 Ca -0.13 -0.25 -0.13 0.00 0.04 0.00 0.00 54.97 54.50 1x4g s GLU 98 Cb 0.01 -3.52 0.19 0.00 0.02 0.00 0.00 34.13 30.83 1x4g s GLU 98 CO 0.69 0.09 1.14 -1.12 -1.84 0.00 0.00 175.26 174.22 1x4g s SER 99 N 0.96 -0.08 0.62 0.83 0.01 -1.26 -5.17 113.70 109.62 1x4g s SER 99 Ca 0.08 -0.04 -0.16 0.00 1.31 0.00 0.00 55.95 57.13 1x4g s SER 99 Cb -0.13 0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 1x4g s SER 99 CO 0.04 -0.01 1.12 -2.16 0.41 0.00 0.00 173.24 172.63 1x4g s PRO 100 N 1.94 3.00 -0.06 12.44 0.04 -1.26 -5.01 135.00 146.08 1x4g s PRO 100 Ca 0.15 1.46 -0.22 0.00 0.04 0.00 0.00 61.00 62.43 1x4g s PRO 100 Cb 0.05 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1x4g s PRO 100 CO -0.16 -1.11 0.62 0.34 0.04 0.00 0.00 177.00 176.73 1x4g s ASP 101 N -2.31 6.91 -0.21 6.66 2.15 -1.26 -5.05 116.67 123.56 1x4g s ASP 101 Ca 0.69 1.09 -0.03 0.00 0.43 0.00 0.00 52.55 54.73 1x4g s ASP 101 Cb -0.22 -2.37 0.07 0.00 -0.30 0.00 0.00 42.92 40.10 1x4g s ASP 101 CO 0.36 -0.04 0.07 -0.32 -0.17 0.00 0.00 175.17 175.08 1x4g s MET 102 N 0.53 0.41 0.44 4.34 1.75 -1.26 -5.14 119.30 120.37 1x4g s MET 102 Ca 0.33 -0.39 -0.11 0.00 -1.25 0.00 0.00 55.69 54.27 1x4g s MET 102 Cb -0.17 -1.89 -0.06 0.00 2.84 0.00 0.00 34.83 35.55 1x4g s MET 102 CO 0.16 -0.73 0.81 0.95 -0.65 0.00 0.00 175.02 175.56 1x4g s THR 103 N 1.96 4.75 -0.11 10.11 -4.23 -1.26 -5.09 115.64 121.77 1x4g s THR 103 Ca 0.02 0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 60.93 1x4g s THR 103 Cb -0.17 -3.74 0.12 0.00 1.34 0.00 0.00 72.50 70.05 1x4g s THR 103 CO -0.14 -0.59 0.95 -0.44 -0.54 0.00 0.00 174.62 173.86 1x4g s SER 104 N -3.25 -0.39 0.42 3.99 0.01 -1.26 -5.19 113.70 108.04 1x4g s SER 104 Ca 0.52 0.33 0.03 0.00 1.31 0.00 0.00 55.95 58.14 1x4g s SER 104 Cb -0.10 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.44 1x4g s SER 104 CO 0.33 -0.43 0.11 -0.83 0.41 0.00 0.00 173.24 172.83 1x4g s GLY 105 N -1.46 2.67 0.95 3.44 0.00 -1.26 -5.15 107.32 106.51 1x4g s GLY 105 Ca -0.01 -1.12 -0.12 0.00 0.00 0.00 0.00 44.72 43.47 1x4g s GLY 105 CO -0.00 -1.89 1.09 2.56 0.00 0.00 0.00 173.10 174.86 1x4g s PRO 106 N -3.74 0.80 0.20 2.90 0.04 -1.26 -5.07 135.00 128.86 1x4g s PRO 106 Ca 0.21 0.65 0.10 0.00 0.04 0.00 0.00 61.00 62.00 1x4g s PRO 106 Cb 0.03 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 1x4g s PRO 106 CO 0.13 -2.51 -0.16 -1.54 0.04 0.00 0.00 177.00 172.95 1x4g s SER 107 N -3.44 3.86 0.31 6.66 1.04 -1.26 -5.15 113.70 115.72 1x4g s SER 107 Ca 0.64 -0.74 0.05 0.00 0.48 0.00 0.00 55.95 56.39 1x4g s SER 107 Cb -0.18 -0.49 -0.06 0.00 0.10 0.00 0.00 66.02 65.38 1x4g s SER 107 CO 0.57 0.10 0.01 -0.55 0.98 0.00 0.00 173.24 174.36 1x4g s SER 108 N -2.84 2.54 0.00 7.02 0.15 -1.26 -5.38 113.70 113.93 1x4g s SER 108 Ca 0.24 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.59 1x4g s SER 108 Cb -0.08 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1x4g s SER 108 CO 0.13 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.68