#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 -0.11 0.30 1.61 0.01 -1.26 -5.16 113.70 109.09 1x4g s SER 2 Ca 0.00 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1x4g s SER 2 Cb 0.00 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1x4g s SER 2 CO 0.00 -0.56 0.00 -1.20 0.41 0.00 0.00 173.24 171.89 1x4g n SER 3 N -0.48 -4.39 0.00 2.44 7.64 -1.26 -5.11 113.62 112.46 1x4g n SER 3 Ca -0.07 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.71 1x4g n SER 3 Cb 0.62 -2.07 0.00 0.00 -1.01 0.00 0.00 64.21 61.74 1x4g n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4g n GLY 4 N -1.89 3.97 3.68 0.23 0.00 -1.26 -5.19 105.19 104.73 1x4g n GLY 4 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 1x4g n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4g s SER 5 N 0.00 -0.07 -0.17 1.61 1.04 -1.26 -5.18 113.70 109.66 1x4g s SER 5 Ca 0.00 -0.88 -0.30 0.00 0.48 0.00 0.00 55.95 55.25 1x4g s SER 5 Cb 0.00 0.66 0.13 0.00 0.10 0.00 0.00 66.02 66.91 1x4g s SER 5 CO 0.00 -1.26 1.03 -0.55 0.98 0.00 0.00 173.24 173.44 1x4g s SER 6 N -3.01 -0.35 -0.30 7.02 0.15 -1.26 -5.16 113.70 110.79 1x4g s SER 6 Ca 0.19 0.39 -0.14 0.00 0.70 0.00 0.00 55.95 57.09 1x4g s SER 6 Cb -0.03 0.30 0.18 0.00 -1.71 0.00 0.00 66.02 64.76 1x4g s SER 6 CO 0.09 -0.31 1.05 -0.83 1.20 0.00 0.00 173.24 174.44 1x4g s GLY 7 N -1.04 -0.22 -0.25 9.45 0.00 -1.26 -5.16 107.32 108.84 1x4g s GLY 7 Ca -0.01 2.97 -0.10 0.00 0.00 0.00 0.00 44.72 47.58 1x4g s GLY 7 CO 0.01 3.54 0.56 0.21 0.00 0.00 0.00 173.10 177.42 1x4g s ASN 8 N 2.65 -0.76 0.16 1.64 3.84 -1.26 -5.17 114.94 116.04 1x4g s ASN 8 Ca -0.01 1.31 0.05 0.00 0.21 0.00 0.00 52.86 54.42 1x4g s ASN 8 Cb -0.08 1.66 -0.04 0.00 -0.55 0.00 0.00 41.25 42.25 1x4g s ASN 8 CO -0.14 -0.22 0.12 0.28 -2.79 0.00 0.00 177.10 174.34 1x4g s THR 9 N 2.40 4.41 0.29 -5.21 -1.32 -1.26 -5.13 115.64 109.81 1x4g s THR 9 Ca -0.06 -1.09 0.11 0.00 -1.21 0.00 0.00 61.69 59.44 1x4g s THR 9 Cb -0.10 -3.24 -0.05 0.00 -1.51 0.00 0.00 72.50 67.60 1x4g s THR 9 CO -0.17 -0.09 -0.18 -0.54 -2.21 0.00 0.00 174.62 171.44 1x4g s LYS 10 N -3.02 1.68 0.11 7.08 -0.14 -1.26 -5.14 119.74 119.04 1x4g s LYS 10 Ca 0.30 -1.79 -0.24 0.00 -1.36 0.00 0.00 55.97 52.88 1x4g s LYS 10 Cb -0.10 -1.71 0.08 0.00 -1.68 0.00 0.00 37.83 34.42 1x4g s LYS 10 CO 0.23 0.29 1.14 1.14 -0.76 0.00 0.00 175.35 177.38 1x4g s GLN 11 N -3.54 0.95 0.12 1.68 0.00 -1.26 -4.60 119.66 113.01 1x4g s GLN 11 Ca 0.30 -0.62 0.08 0.00 -0.00 0.00 0.00 55.36 55.13 1x4g s GLN 11 Cb -0.03 0.26 -0.04 0.00 0.00 0.00 0.00 33.01 33.20 1x4g s GLN 11 CO 0.15 -0.44 -0.20 -0.51 0.00 0.00 0.00 175.29 174.28 1x4g s LEU 12 N -3.60 2.34 0.03 2.60 1.43 -1.26 -5.12 118.68 115.09 1x4g s LEU 12 Ca 0.26 -0.74 -0.28 0.00 -1.03 0.00 0.00 54.13 52.33 1x4g s LEU 12 Cb -0.02 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 1x4g s LEU 12 CO 0.03 0.03 0.89 -0.13 0.23 0.00 0.00 176.35 177.40 1x4g s ARG 13 N -2.19 4.56 0.29 1.70 1.81 -1.26 -4.77 118.95 119.09 1x4g s ARG 13 Ca 0.10 1.27 0.03 0.00 -1.72 0.00 0.00 55.73 55.41 1x4g s ARG 13 Cb -0.09 -3.42 0.69 0.00 -0.45 0.00 0.00 34.95 31.69 1x4g s ARG 13 CO 0.05 0.10 1.71 0.35 -0.68 0.00 0.00 175.30 176.83 1x4g h PHE 14 N 6.26 0.69 -0.38 -0.53 3.57 -1.97 0.52 116.94 125.11 1x4g h PHE 14 Ca -0.42 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.16 1x4g h PHE 14 Cb 1.21 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1x4g h PHE 14 CO 0.66 0.01 0.25 0.93 -2.23 0.00 0.00 178.31 177.93 1x4g h GLU 15 N 0.46 0.35 0.02 1.11 5.08 -1.92 0.29 114.58 119.97 1x4g h GLU 15 Ca 0.54 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.78 1x4g h GLU 15 Cb 0.98 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1x4g h GLU 15 CO -0.49 0.23 -0.54 0.22 -1.00 0.00 0.00 179.01 177.44 1x4g h ASP 16 N 0.36 0.08 -0.77 1.42 3.58 -0.51 -3.35 116.42 117.22 1x4g h ASP 16 Ca 0.16 -0.85 0.01 0.00 0.42 0.00 0.00 57.03 56.76 1x4g h ASP 16 Cb 0.18 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 1x4g h ASP 16 CO -0.04 1.22 0.51 0.58 -2.88 0.00 0.00 179.24 178.63 1x4g h VAL 17 N -0.88 1.20 -0.03 2.25 2.07 -0.41 -1.97 116.25 118.48 1x4g h VAL 17 Ca -0.13 -0.36 -0.17 0.00 0.82 0.00 0.00 66.70 66.85 1x4g h VAL 17 Cb 1.21 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1x4g h VAL 17 CO -0.03 0.19 -0.31 0.55 0.02 0.00 0.00 177.57 177.99 1x4g n VAL 18 N -4.42 2.86 0.00 2.57 3.14 0.10 -3.30 118.33 119.29 1x4g n VAL 18 Ca 0.08 -1.40 0.00 0.00 -2.96 0.00 0.00 64.34 60.06 1x4g n VAL 18 Cb 0.03 -1.91 0.00 0.00 -1.06 0.00 0.00 33.84 30.90 1x4g n VAL 18 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1x4g n ASN 19 N 2.30 0.00 -0.29 6.55 3.02 -1.08 -4.95 115.26 120.81 1x4g n ASN 19 Ca 0.37 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.94 1x4g n ASN 19 Cb 0.85 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 40.09 1x4g n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x4g n GLN 20 N -0.43 -0.13 -4.35 3.52 6.02 -0.76 -4.41 117.38 116.85 1x4g n GLN 20 Ca 0.00 1.21 -0.24 0.00 -0.01 0.00 0.00 57.00 57.96 1x4g n GLN 20 Cb 0.00 -1.80 -0.08 0.00 1.02 0.00 0.00 30.24 29.38 1x4g n GLN 20 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1x4g s SER 21 N -5.24 4.23 0.44 1.08 0.01 -1.26 -5.10 113.70 107.86 1x4g s SER 21 Ca -0.11 -0.75 -0.23 0.00 1.31 0.00 0.00 55.95 56.16 1x4g s SER 21 Cb 0.19 -0.67 -0.10 0.00 0.21 0.00 0.00 66.02 65.64 1x4g s SER 21 CO 0.58 0.02 0.95 -1.20 0.41 0.00 0.00 173.24 174.01 1x4g n SER 22 N -0.73 0.96 0.21 2.44 7.64 -1.26 -4.88 113.62 117.99 1x4g n SER 22 Ca -0.06 0.99 0.07 0.00 1.01 0.00 0.00 58.87 60.88 1x4g n SER 22 Cb 0.59 -1.33 0.43 0.00 -1.01 0.00 0.00 64.21 62.89 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 1.34 0.00 -0.31 1.43 0.13 -1.97 -3.14 132.00 129.48 1x4g h PRO 23 Ca -0.44 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1x4g h PRO 23 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1x4g h PRO 23 CO 0.56 0.31 0.13 0.87 -0.23 0.00 0.00 178.00 179.64 1x4g h LYS 24 N 0.00 0.46 -4.49 0.86 1.57 -2.02 -3.39 116.57 109.56 1x4g h LYS 24 Ca -0.00 -0.08 -0.72 0.00 -1.87 0.00 0.00 60.65 57.97 1x4g h LYS 24 Cb 0.72 -0.08 -0.21 0.00 0.08 0.00 0.00 32.23 32.75 1x4g h LYS 24 CO 0.04 0.46 -0.11 1.21 -0.57 0.00 0.00 179.45 180.47 1x4g s ASN 25 N -5.72 6.18 -0.39 0.86 2.47 -1.19 -5.02 114.94 112.14 1x4g s ASN 25 Ca -0.13 -1.37 -0.04 0.00 0.42 0.00 0.00 52.86 51.74 1x4g s ASN 25 Cb 0.09 -2.24 0.09 0.00 -1.45 0.00 0.00 41.25 37.74 1x4g s ASN 25 CO 0.73 -0.86 0.17 0.00 -3.72 0.00 0.00 177.10 173.42 1x4g s THR 27 N 1.21 1.14 -0.27 0.00 2.01 -1.26 -2.71 115.64 115.75 1x4g s THR 27 Ca 0.05 -1.16 0.03 0.00 0.31 0.00 0.00 61.69 60.92 1x4g s THR 27 Cb -0.22 -1.06 0.07 0.00 0.01 0.00 0.00 72.50 71.30 1x4g s THR 27 CO -0.03 -0.10 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.04 1x4g s VAL 28 N -1.05 2.15 -0.37 3.82 1.01 0.94 -2.60 120.40 124.29 1x4g s VAL 28 Ca 0.00 -1.76 -0.19 0.00 0.00 0.00 0.00 61.98 60.03 1x4g s VAL 28 Cb -0.09 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1x4g s VAL 28 CO 0.02 -0.15 0.58 -0.47 0.00 0.00 0.00 175.10 175.07 1x4g s TYR 29 N 1.08 3.15 -0.34 5.22 6.14 -0.08 -1.34 117.35 131.19 1x4g s TYR 29 Ca -0.05 0.19 -0.11 0.00 0.64 0.00 0.00 57.07 57.74 1x4g s TYR 29 Cb -0.20 -3.07 0.00 0.00 0.42 0.00 0.00 41.96 39.12 1x4g s TYR 29 CO -0.06 -0.63 0.19 0.00 0.64 0.00 0.00 175.55 175.70 1x4g s GLY 31 N 1.62 1.19 0.00 0.00 0.00 0.53 0.74 107.32 111.40 1x4g s GLY 31 Ca 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1x4g s GLY 31 CO 0.07 -0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.59 1x4g n GLY 32 N 3.63 1.27 3.76 0.20 0.00 -0.71 0.23 105.19 113.58 1x4g n GLY 32 Ca -0.20 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1x4g n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x4g s ILE 33 N 0.00 2.33 0.00 -0.61 1.01 -1.26 -4.76 121.20 117.91 1x4g s ILE 33 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1x4g s ILE 33 Cb 0.00 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1x4g s ILE 33 CO 0.00 0.06 0.00 0.00 0.00 0.00 0.00 174.94 175.00 1x4g n ALA 34 N 1.28 1.76 -1.24 9.38 0.00 -1.26 -4.14 120.51 126.29 1x4g n ALA 34 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.54 1x4g n ALA 34 Cb 0.40 0.15 0.19 0.00 0.00 0.00 0.00 19.45 20.18 1x4g n ALA 34 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1x4g n SER 35 N -1.56 2.47 -2.68 0.00 3.41 -1.26 -4.67 113.62 109.33 1x4g n SER 35 Ca 0.00 -3.38 -0.03 0.00 -0.26 0.00 0.00 58.87 55.20 1x4g n SER 35 Cb 0.18 -0.50 0.12 0.00 -0.26 0.00 0.00 64.21 63.75 1x4g n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4g n GLY 36 N -1.16 1.90 3.38 5.00 0.00 -1.26 -5.09 105.19 107.96 1x4g n GLY 36 Ca 0.20 -0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.93 5.55 -0.01 0.99 0.20 -1.26 -4.98 118.68 115.25 1x4g s LEU 37 Ca 0.12 -1.33 0.01 0.00 0.69 0.00 0.00 54.13 53.62 1x4g s LEU 37 Cb 0.44 -2.16 -0.00 0.00 -0.43 0.00 0.00 46.19 44.04 1x4g s LEU 37 CO -0.12 -0.63 -0.05 0.42 -0.29 0.00 0.00 176.35 175.69 1x4g s THR 38 N 1.62 0.37 0.44 3.68 -4.23 -1.26 -4.70 115.64 111.56 1x4g s THR 38 Ca 0.04 -0.19 0.24 0.00 -1.18 0.00 0.00 61.69 60.60 1x4g s THR 38 Cb -0.24 -0.33 0.44 0.00 1.34 0.00 0.00 72.50 73.71 1x4g s THR 38 CO 0.06 0.11 1.79 -2.24 -0.54 0.00 0.00 174.62 173.80 1x4g h ASP 39 N 6.12 0.31 -0.13 3.99 3.04 -1.96 0.58 116.42 128.36 1x4g h ASP 39 Ca -0.29 0.06 -0.06 0.00 -3.24 0.00 0.00 57.03 53.50 1x4g h ASP 39 Cb 1.19 0.01 -0.02 0.00 -1.04 0.00 0.00 39.33 39.47 1x4g h ASP 39 CO 0.50 0.06 -0.09 -0.61 -2.04 0.00 0.00 179.24 177.05 1x4g h GLN 40 N 0.27 0.46 0.51 4.15 4.15 -1.98 0.39 115.11 123.07 1x4g h GLN 40 Ca 0.58 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.86 1x4g h GLN 40 Cb 1.72 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 29.35 1x4g h GLN 40 CO -0.21 0.56 -0.25 1.25 -1.93 0.00 0.00 178.83 178.25 1x4g h LEU 41 N 0.43 -0.58 -0.95 -2.39 5.85 -0.22 -0.88 115.31 116.57 1x4g h LEU 41 Ca 0.09 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1x4g h LEU 41 Cb 0.43 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1x4g h LEU 41 CO 0.02 -0.17 0.62 0.24 -0.34 0.00 0.00 178.44 178.81 1x4g h MET 42 N -1.14 1.18 -0.15 1.25 2.86 -1.47 0.30 114.93 117.76 1x4g h MET 42 Ca -0.07 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1x4g h MET 42 Cb 0.57 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1x4g h MET 42 CO 0.12 0.78 0.07 -0.09 1.06 0.00 0.00 176.91 178.84 1x4g h ARG 43 N 1.21 0.22 -0.26 1.72 2.43 -0.97 0.14 114.38 118.87 1x4g h ARG 43 Ca 0.37 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.39 1x4g h ARG 43 Cb -0.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1x4g h ARG 43 CO -0.11 0.29 -0.32 0.37 -1.51 0.00 0.00 179.97 178.68 1x4g h GLN 44 N 0.10 0.55 0.16 0.20 4.15 -0.77 1.14 115.11 120.63 1x4g h GLN 44 Ca 0.05 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 1x4g h GLN 44 Cb 0.14 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1x4g h GLN 44 CO -0.01 0.80 -0.08 1.15 -1.93 0.00 0.00 178.83 178.77 1x4g h THR 45 N 0.47 0.98 0.00 2.39 2.02 -0.21 -3.20 112.91 115.36 1x4g h THR 45 Ca 0.06 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1x4g h THR 45 Cb 0.79 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1x4g h THR 45 CO 0.06 0.18 -0.13 -0.26 0.37 0.00 0.00 175.52 175.75 1x4g h PHE 46 N -0.61 0.00 -0.80 3.16 0.04 -0.74 -3.37 116.94 114.63 1x4g h PHE 46 Ca -0.02 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.82 1x4g h PHE 46 Cb 0.46 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.51 1x4g h PHE 46 CO 0.05 0.00 -0.47 0.45 -0.60 0.00 0.00 178.31 177.74 1x4g n SER 47 N -2.72 -0.84 -0.02 2.17 2.88 0.39 -1.52 113.62 113.95 1x4g n SER 47 Ca 0.04 1.52 -0.13 0.00 -1.33 0.00 0.00 58.87 58.97 1x4g n SER 47 Cb 0.49 -0.23 -0.09 0.00 -0.75 0.00 0.00 64.21 63.63 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 0.09 -0.82 -1.46 0.13 -1.73 -3.09 132.00 125.13 1x4g h PRO 48 Ca 0.13 -0.05 0.24 0.00 -0.87 0.00 0.00 66.00 65.45 1x4g h PRO 48 Cb 0.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.43 1x4g h PRO 48 CO -0.75 0.55 1.08 0.74 -0.23 0.00 0.00 178.00 179.39 1x4g h PHE 49 N -0.37 0.00 0.00 1.56 0.04 -1.46 -3.44 116.94 113.27 1x4g h PHE 49 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1x4g h PHE 49 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1x4g h PHE 49 CO 0.09 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.21 1x4g n GLY 50 N -1.65 -1.93 3.78 -1.45 0.00 -0.58 -4.67 105.19 98.70 1x4g n GLY 50 Ca 0.18 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.90 3.96 -0.04 1.61 0.74 -1.26 -4.30 119.66 118.47 1x4g s GLN 51 Ca 0.00 1.52 0.07 0.00 0.05 0.00 0.00 55.36 57.00 1x4g s GLN 51 Cb 0.00 -2.37 -0.01 0.00 1.10 0.00 0.00 33.01 31.72 1x4g s GLN 51 CO 0.00 -0.32 -0.25 0.42 -0.55 0.00 0.00 175.29 174.59 1x4g s ILE 52 N -1.73 2.00 -0.16 -2.34 1.01 -1.26 -4.10 121.20 114.61 1x4g s ILE 52 Ca 0.62 -1.05 -0.15 0.00 0.00 0.00 0.00 60.65 60.07 1x4g s ILE 52 Cb -0.22 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 1x4g s ILE 52 CO 0.27 0.56 -0.29 0.23 0.00 0.00 0.00 174.94 175.70 1x4g n MET 53 N 2.77 0.49 -4.08 2.79 2.81 -0.72 -4.98 117.12 116.20 1x4g n MET 53 Ca -0.17 0.30 -0.14 0.00 -1.81 0.00 0.00 57.70 55.88 1x4g n MET 53 Cb 0.52 -1.48 -0.12 0.00 -0.71 0.00 0.00 33.22 31.42 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 -2.67 0.46 -0.03 0.03 2.12 -1.26 -5.03 118.70 112.32 1x4g s GLU 54 Ca -0.24 -0.53 0.04 0.00 0.36 0.00 0.00 54.97 54.59 1x4g s GLU 54 Cb 0.03 -0.29 -0.00 0.00 0.26 0.00 0.00 34.13 34.13 1x4g s GLU 54 CO 0.36 0.06 -0.14 0.42 -0.54 0.00 0.00 175.26 175.42 1x4g s ILE 55 N -0.93 1.16 -0.26 -3.70 1.01 -1.26 -2.84 121.20 114.38 1x4g s ILE 55 Ca -0.06 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 1x4g s ILE 55 Cb -0.07 -0.99 0.08 0.00 0.01 0.00 0.00 42.46 41.49 1x4g s ILE 55 CO 0.00 0.34 0.09 -0.60 0.00 0.00 0.00 174.94 174.77 1x4g s ARG 56 N -0.05 0.49 -0.18 2.79 3.00 -0.39 -4.96 118.95 119.65 1x4g s ARG 56 Ca -0.00 -0.64 -0.15 0.00 -1.00 0.00 0.00 55.73 53.94 1x4g s ARG 56 Cb -0.09 -1.77 -0.04 0.00 0.00 0.00 0.00 34.95 33.05 1x4g s ARG 56 CO 0.01 -0.87 0.33 0.14 0.00 0.00 0.00 175.30 174.91 1x4g s VAL 57 N 1.87 5.26 -0.72 7.11 -7.23 -1.26 0.19 120.40 125.62 1x4g s VAL 57 Ca 0.06 0.60 0.02 0.00 -1.81 0.00 0.00 61.98 60.84 1x4g s VAL 57 Cb -0.17 -3.67 0.18 0.00 0.56 0.00 0.00 36.38 33.28 1x4g s VAL 57 CO -0.22 0.32 0.53 -0.36 -0.31 0.00 0.00 175.10 175.06 1x4g s PHE 58 N 0.89 3.58 -1.85 2.82 0.08 0.76 -4.90 117.98 119.36 1x4g s PHE 58 Ca 0.17 -3.14 0.15 0.00 0.12 0.00 0.00 56.93 54.23 1x4g s PHE 58 Cb -0.14 -2.95 0.88 0.00 -0.57 0.00 0.00 43.02 40.24 1x4g s PHE 58 CO 0.06 -0.67 1.36 -0.35 -0.10 0.00 0.00 175.22 175.52 1x4g n PRO 59 N 2.46 0.41 -0.06 0.24 -0.04 -1.26 -0.34 135.00 136.42 1x4g n PRO 59 Ca 0.16 0.04 -0.12 0.00 -0.04 0.00 0.00 63.50 63.54 1x4g n PRO 59 Cb 0.35 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.08 0.67 -0.10 0.54 4.07 -1.26 -4.51 120.64 118.97 1x4g n GLU 60 Ca 0.10 0.17 -0.12 0.00 -0.06 0.00 0.00 57.16 57.25 1x4g n GLU 60 Cb 0.07 -1.65 -0.13 0.00 -0.06 0.00 0.00 31.44 29.66 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 -3.03 0.80 0.00 5.31 4.01 -1.01 -5.03 118.16 119.20 1x4g n LYS 61 Ca -0.28 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.57 1x4g n LYS 61 Cb 1.08 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 34.12 1x4g n LYS 61 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x4g n GLY 62 N 2.03 1.47 3.23 0.72 0.00 0.54 -5.01 105.19 108.17 1x4g n GLY 62 Ca -0.35 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 0.14 0.04 1.61 -0.85 -1.09 -1.73 117.35 113.46 1x4g s TYR 63 Ca 0.00 -0.55 -0.02 0.00 -0.52 0.00 0.00 57.07 55.98 1x4g s TYR 63 Cb 0.00 -0.02 -0.02 0.00 0.38 0.00 0.00 41.96 42.29 1x4g s TYR 63 CO 0.00 -0.58 0.01 0.45 -1.52 0.00 0.00 175.55 173.91 1x4g s SER 64 N -2.87 0.31 -0.05 -0.18 0.15 0.23 -0.17 113.70 111.12 1x4g s SER 64 Ca 0.06 -0.69 0.05 0.00 0.70 0.00 0.00 55.95 56.07 1x4g s SER 64 Cb 0.04 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 1x4g s SER 64 CO -0.10 -0.48 -0.19 -0.36 1.20 0.00 0.00 173.24 173.30 1x4g s PHE 65 N -2.76 2.56 -0.25 3.44 0.08 0.13 -0.81 117.98 120.36 1x4g s PHE 65 Ca -0.04 -0.36 -0.02 0.00 0.12 0.00 0.00 56.93 56.63 1x4g s PHE 65 Cb -0.00 -1.60 0.12 0.00 -0.57 0.00 0.00 43.02 40.96 1x4g s PHE 65 CO -0.06 0.03 0.26 0.08 -0.10 0.00 0.00 175.22 175.44 1x4g s VAL 66 N -0.53 -0.36 -0.08 -0.44 1.01 -0.45 -1.27 120.40 118.28 1x4g s VAL 66 Ca 0.07 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 1x4g s VAL 66 Cb -0.11 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1x4g s VAL 66 CO 0.01 -0.36 0.46 -0.13 0.00 0.00 0.00 175.10 175.07 1x4g s ARG 67 N 2.34 4.22 0.27 2.72 3.00 -1.13 -0.04 118.95 130.34 1x4g s ARG 67 Ca 0.09 0.45 0.06 0.00 0.00 0.00 0.00 55.73 56.33 1x4g s ARG 67 Cb -0.15 -3.37 -0.03 0.00 0.00 0.00 0.00 34.95 31.41 1x4g s ARG 67 CO -0.24 0.33 0.32 -0.06 0.00 0.00 0.00 175.30 175.65 1x4g s PHE 68 N 0.06 3.21 -0.95 -0.53 0.40 -1.10 -1.76 117.98 117.30 1x4g s PHE 68 Ca 0.25 -0.12 0.26 0.00 -0.60 0.00 0.00 56.93 56.72 1x4g s PHE 68 Cb -0.16 -1.62 1.07 0.00 0.51 0.00 0.00 43.02 42.82 1x4g s PHE 68 CO 0.11 0.35 1.82 0.45 0.70 0.00 0.00 175.22 178.65 1x4g n SER 69 N -1.37 0.12 -3.92 1.36 2.88 -1.26 -4.76 113.62 106.67 1x4g n SER 69 Ca -0.06 0.51 -0.09 0.00 -1.33 0.00 0.00 58.87 57.90 1x4g n SER 69 Cb 0.58 -0.55 -0.07 0.00 -0.75 0.00 0.00 64.21 63.42 1x4g n SER 69 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1x4g s THR 70 N -3.02 0.10 0.16 2.46 -4.23 -1.26 -5.05 115.64 104.79 1x4g s THR 70 Ca 0.12 -1.30 0.02 0.00 -1.18 0.00 0.00 61.69 59.35 1x4g s THR 70 Cb 0.16 -1.63 -0.16 0.00 1.34 0.00 0.00 72.50 72.21 1x4g s THR 70 CO 0.48 -0.45 1.36 -0.74 -0.54 0.00 0.00 174.62 174.73 1x4g h HIS 71 N 2.64 0.28 0.22 3.99 2.76 -1.89 -3.27 115.15 119.88 1x4g h HIS 71 Ca -0.33 -0.16 -0.01 0.00 -2.20 0.00 0.00 60.37 57.67 1x4g h HIS 71 Cb 1.22 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.15 1x4g h HIS 71 CO 0.41 0.99 -0.11 0.93 -1.30 0.00 0.00 177.93 178.85 1x4g h GLU 72 N 0.10 -0.29 -0.89 5.26 5.08 -1.96 -1.40 114.58 120.48 1x4g h GLU 72 Ca -0.05 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.53 1x4g h GLU 72 Cb 1.55 0.06 -0.17 0.00 0.50 0.00 0.00 28.75 30.70 1x4g h GLU 72 CO 0.14 -0.19 -0.16 -1.13 -1.00 0.00 0.00 179.01 176.67 1x4g n SER 73 N -2.93 -0.26 0.44 1.42 3.41 -1.26 -0.33 113.62 114.11 1x4g n SER 73 Ca -0.04 1.52 -0.19 0.00 -0.26 0.00 0.00 58.87 59.90 1x4g n SER 73 Cb 0.12 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 63.49 1x4g n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x4g h ALA 74 N 1.77 -1.11 -1.08 7.33 0.00 -1.60 -2.43 119.26 122.14 1x4g h ALA 74 Ca 0.45 -0.24 0.31 0.00 0.00 0.00 0.00 54.91 55.43 1x4g h ALA 74 Cb 0.77 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1x4g h ALA 74 CO -0.89 -1.11 0.77 0.00 0.00 0.00 0.00 179.25 178.02 1x4g h ALA 75 N -0.95 2.97 -0.19 0.00 0.00 0.48 0.64 119.26 122.21 1x4g h ALA 75 Ca -0.11 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1x4g h ALA 75 Cb 0.85 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1x4g h ALA 75 CO 0.19 -1.28 -0.39 0.45 0.00 0.00 0.00 179.25 178.21 1x4g h HIS 76 N 0.03 0.51 0.23 0.00 3.86 -0.50 -1.57 115.15 117.71 1x4g h HIS 76 Ca 0.52 -0.14 -0.33 0.00 -1.16 0.00 0.00 60.37 59.25 1x4g h HIS 76 Cb 2.02 -0.11 0.03 0.00 1.06 0.00 0.00 27.41 30.41 1x4g h HIS 76 CO -0.00 0.76 -1.52 0.00 0.86 0.00 0.00 177.93 178.03 1x4g h ALA 77 N 1.22 -0.08 -0.06 2.45 0.00 0.48 -3.26 119.26 120.01 1x4g h ALA 77 Ca 0.03 -0.92 -0.00 0.00 0.00 0.00 0.00 54.91 54.02 1x4g h ALA 77 Cb 0.85 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1x4g h ALA 77 CO 0.07 0.76 0.02 0.82 0.00 0.00 0.00 179.25 180.92 1x4g h ILE 78 N 0.11 1.13 -0.50 0.00 2.04 -0.99 0.56 117.51 119.86 1x4g h ILE 78 Ca -0.28 -0.39 0.10 0.00 1.00 0.00 0.00 64.86 65.29 1x4g h ILE 78 Cb 2.13 1.29 -0.09 0.00 -0.74 0.00 0.00 36.82 39.41 1x4g h ILE 78 CO 0.25 0.11 -0.04 -0.37 0.00 0.00 0.00 178.15 178.10 1x4g h VAL 79 N -0.06 0.57 0.04 1.67 -1.51 -1.43 0.36 116.25 115.90 1x4g h VAL 79 Ca 0.02 -0.02 -0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1x4g h VAL 79 Cb 0.16 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 29.81 1x4g h VAL 79 CO -0.00 0.01 -0.02 -1.28 -1.23 0.00 0.00 177.57 175.05 1x4g h SER 80 N 0.07 -0.04 -1.75 4.19 0.87 -1.57 -3.31 113.55 112.00 1x4g h SER 80 Ca 0.25 0.00 0.51 0.00 -1.23 0.00 0.00 61.79 61.32 1x4g h SER 80 Cb 0.38 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.28 1x4g h SER 80 CO -0.45 0.08 1.26 0.58 -0.53 0.00 0.00 176.83 177.77 1x4g h VAL 81 N -0.28 0.12 -1.12 2.23 2.07 0.09 -3.36 116.25 116.00 1x4g h VAL 81 Ca -0.01 -0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.22 1x4g h VAL 81 Cb 0.04 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1x4g h VAL 81 CO 0.01 0.00 0.92 0.21 0.02 0.00 0.00 177.57 178.73 1x4g s ASN 82 N -4.25 4.50 0.00 0.57 2.47 0.13 -0.94 114.94 117.41 1x4g s ASN 82 Ca -0.05 0.34 0.00 0.00 0.42 0.00 0.00 52.86 53.57 1x4g s ASN 82 Cb 0.26 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.53 1x4g s ASN 82 CO 0.87 -3.11 0.00 0.61 -3.72 0.00 0.00 177.10 171.75 1x4g n GLY 83 N 6.35 1.26 3.93 1.21 0.00 -1.24 -4.56 105.19 112.14 1x4g n GLY 83 Ca 0.38 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.15 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 5.05 -0.26 2.61 -4.23 -0.12 -4.94 115.64 111.75 1x4g s THR 84 Ca 0.00 -0.27 0.02 0.00 -1.18 0.00 0.00 61.69 60.26 1x4g s THR 84 Cb 0.00 -3.86 0.06 0.00 1.34 0.00 0.00 72.50 70.04 1x4g s THR 84 CO 0.00 -0.63 -0.10 -0.89 -0.54 0.00 0.00 174.62 172.47 1x4g s THR 85 N -2.42 2.26 -0.26 3.99 2.01 -1.26 -1.02 115.64 118.95 1x4g s THR 85 Ca 0.42 -1.61 -0.09 0.00 0.31 0.00 0.00 61.69 60.72 1x4g s THR 85 Cb -0.10 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1x4g s THR 85 CO 0.38 -0.04 0.12 -0.63 -0.69 0.00 0.00 174.62 173.76 1x4g s ILE 86 N 1.12 4.70 -1.73 1.82 1.01 0.01 -4.39 121.20 123.72 1x4g s ILE 86 Ca -0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.52 1x4g s ILE 86 Cb -0.20 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1x4g s ILE 86 CO -0.05 0.31 0.02 -0.62 0.00 0.00 0.00 174.94 174.59 1x4g n GLU 87 N 4.97 -1.70 -1.01 2.79 -0.58 -1.26 -1.14 120.64 122.71 1x4g n GLU 87 Ca -0.15 0.98 -0.00 0.00 -0.42 0.00 0.00 57.16 57.57 1x4g n GLU 87 Cb 0.52 -5.62 -0.00 0.00 -0.57 0.00 0.00 31.44 25.77 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 -1.03 0.44 3.01 0.62 0.00 -1.26 -5.03 105.19 101.94 1x4g n GLY 88 Ca -0.24 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 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 2.09 -0.12 1.61 3.76 -0.29 -5.09 115.29 115.24 1x4g s HIS 89 Ca 0.00 -1.15 -0.29 0.00 -0.15 0.00 0.00 55.06 53.46 1x4g s HIS 89 Cb 0.00 -1.55 -0.05 0.00 1.11 0.00 0.00 32.58 32.09 1x4g s HIS 89 CO 0.00 -0.64 1.81 0.54 -0.85 0.00 0.00 174.74 175.60 1x4g s VAL 90 N 1.47 3.39 0.17 -0.90 0.11 -1.26 -0.81 120.40 122.57 1x4g s VAL 90 Ca 0.04 0.45 -0.13 0.00 -2.93 0.00 0.00 61.98 59.41 1x4g s VAL 90 Cb -0.13 -3.36 -0.07 0.00 -1.53 0.00 0.00 36.38 31.29 1x4g s VAL 90 CO -0.10 -0.12 0.55 0.68 -3.33 0.00 0.00 175.10 172.78 1x4g s VAL 91 N 5.30 4.88 -0.25 2.04 -7.23 -0.18 -4.06 120.40 120.90 1x4g s VAL 91 Ca 0.81 0.71 0.01 0.00 -1.81 0.00 0.00 61.98 61.70 1x4g s VAL 91 Cb -0.32 -3.69 0.05 0.00 0.56 0.00 0.00 36.38 32.97 1x4g s VAL 91 CO 0.33 0.14 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.61 1x4g s LYS 92 N -2.24 2.50 -0.26 4.82 1.02 0.63 -3.67 119.74 122.54 1x4g s LYS 92 Ca 0.41 -1.18 -0.14 0.00 0.02 0.00 0.00 55.97 55.08 1x4g s LYS 92 Cb -0.14 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 1x4g s LYS 92 CO 0.20 -0.47 0.33 0.00 -0.92 0.00 0.00 175.35 174.49 1x4g n TYR 94 N 5.04 -0.20 -3.13 0.00 4.01 0.07 -4.83 117.16 118.12 1x4g n TYR 94 Ca -0.10 -2.71 -0.45 0.00 -0.16 0.00 0.00 57.90 54.48 1x4g n TYR 94 Cb 0.51 0.10 -0.01 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 -3.20 3.65 -0.62 -0.72 0.23 -1.26 -0.90 118.94 116.13 1x4g s TRP 95 Ca 0.28 -2.04 -0.25 0.00 -2.03 0.00 0.00 56.10 52.06 1x4g s TRP 95 Cb 0.01 -4.07 -0.15 0.00 0.03 0.00 0.00 33.47 29.29 1x4g s TRP 95 CO 0.20 -1.21 1.83 0.41 0.96 0.00 0.00 176.95 179.13 1x4g n GLY 96 N 4.11 -0.28 3.33 0.98 0.00 -1.07 -4.85 105.19 107.41 1x4g n GLY 96 Ca 0.25 0.83 -0.40 0.00 0.00 0.00 0.00 46.02 46.69 1x4g n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4g s LYS 97 N 5.85 2.74 -0.14 1.61 1.02 -1.26 -4.56 119.74 124.99 1x4g s LYS 97 Ca 0.94 -1.23 -0.06 0.00 0.02 0.00 0.00 55.97 55.64 1x4g s LYS 97 Cb -0.95 -3.75 -0.04 0.00 -0.52 0.00 0.00 37.83 32.56 1x4g s LYS 97 CO 0.39 -0.80 0.06 -2.00 -0.92 0.00 0.00 175.35 172.07 1x4g s GLU 98 N 1.50 3.61 0.58 1.68 2.12 -1.26 -4.96 118.70 121.98 1x4g s GLU 98 Ca 0.02 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.02 1x4g s GLU 98 Cb -0.21 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.09 1x4g s GLU 98 CO 0.05 0.48 0.00 0.43 -0.54 0.00 0.00 175.26 175.68 1x4g n SER 99 N 2.87 -9.16 -4.75 -1.70 7.64 -1.26 -4.85 113.62 102.41 1x4g n SER 99 Ca -0.18 1.49 -0.41 0.00 1.01 0.00 0.00 58.87 60.79 1x4g n SER 99 Cb 0.53 -5.33 -0.03 0.00 -1.01 0.00 0.00 64.21 58.37 1x4g n SER 99 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1x4g s PRO 100 N -4.01 4.44 -0.02 1.43 0.04 -1.26 -5.00 135.00 130.62 1x4g s PRO 100 Ca 0.00 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 1x4g s PRO 100 Cb 0.00 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 1x4g s PRO 100 CO 0.00 -0.11 0.97 0.16 0.04 0.00 0.00 177.00 178.06 1x4g s ASP 101 N -0.28 7.34 -0.10 6.66 -4.77 -1.26 -5.04 116.67 119.23 1x4g s ASP 101 Ca 0.51 1.62 -0.04 0.00 -3.30 0.00 0.00 52.55 51.34 1x4g s ASP 101 Cb -0.37 -2.56 0.05 0.00 -1.09 0.00 0.00 42.92 38.95 1x4g s ASP 101 CO 0.45 -0.27 0.21 -0.04 0.70 0.00 0.00 175.17 176.21 1x4g s MET 102 N 1.11 0.14 -0.40 2.11 -1.94 -1.26 -4.99 119.30 114.07 1x4g s MET 102 Ca 0.51 0.53 -0.13 0.00 -1.71 0.00 0.00 55.69 54.89 1x4g s MET 102 Cb -0.21 -0.15 0.02 0.00 2.01 0.00 0.00 34.83 36.50 1x4g s MET 102 CO 0.26 -0.21 0.49 2.41 -0.01 0.00 0.00 175.02 177.96 1x4g n THR 103 N 4.61-11.04 -0.02 2.05 -1.04 -1.26 -4.93 114.28 102.65 1x4g n THR 103 Ca -0.19 1.03 -0.11 0.00 -2.04 0.00 0.00 64.05 62.74 1x4g n THR 103 Cb 0.51 -7.17 -0.06 0.00 -1.82 0.00 0.00 70.33 61.80 1x4g n THR 103 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1x4g h SER 104 N 2.12 0.16 0.00 8.00 4.64 -2.03 -3.49 113.55 122.94 1x4g h SER 104 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1x4g h SER 104 Cb 0.81 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1x4g h SER 104 CO 0.18 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 1x4g n GLY 105 N -0.81 -0.61 3.68 -0.77 0.00 -1.26 -5.17 105.19 100.25 1x4g n GLY 105 Ca -0.05 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 1x4g n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4g s PRO 106 N -0.33 0.43 0.35 1.61 0.04 -1.26 -5.03 135.00 130.81 1x4g s PRO 106 Ca 0.00 0.53 -0.17 0.00 0.04 0.00 0.00 61.00 61.40 1x4g s PRO 106 Cb 0.00 -1.74 -0.10 0.00 0.04 0.00 0.00 34.50 32.71 1x4g s PRO 106 CO 0.00 -2.74 0.80 -1.12 0.04 0.00 0.00 177.00 173.98 1x4g s SER 107 N -3.45 6.83 0.02 6.66 0.01 -1.26 -5.00 113.70 117.51 1x4g s SER 107 Ca 0.65 1.41 -0.21 0.00 1.31 0.00 0.00 55.95 59.11 1x4g s SER 107 Cb -0.19 -2.42 -0.17 0.00 0.21 0.00 0.00 66.02 63.45 1x4g s SER 107 CO 0.58 -0.25 1.28 -1.28 0.41 0.00 0.00 173.24 173.98 1x4g h SER 108 N 2.18 0.33 -0.01 2.44 0.87 -2.08 -3.56 113.55 113.71 1x4g h SER 108 Ca -0.48 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 59.54 1x4g h SER 108 Cb 1.18 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1x4g h SER 108 CO 0.64 0.80 0.00 0.61 -0.53 0.00 0.00 176.83 178.35