#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4a s SER 2 N 0.00 -0.33 -0.05 1.61 0.01 -1.26 -5.19 113.70 108.49 1x4a s SER 2 Ca 0.00 0.18 -0.32 0.00 1.31 0.00 0.00 55.95 57.12 1x4a s SER 2 Cb 0.00 0.31 0.13 0.00 0.21 0.00 0.00 66.02 66.67 1x4a s SER 2 CO 0.00 -0.44 1.36 -0.44 0.41 0.00 0.00 173.24 174.14 1x4a s SER 3 N -1.82 -0.03 0.00 2.44 0.01 -1.26 -5.18 113.70 107.87 1x4a s SER 3 Ca 0.03 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1x4a s SER 3 Cb -0.01 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1x4a s SER 3 CO -0.04 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1x4a n GLY 4 N -0.51 1.01 3.59 3.44 0.00 -1.26 -5.19 105.19 106.28 1x4a n GLY 4 Ca -0.09 0.32 -0.05 0.00 0.00 0.00 0.00 46.02 46.21 1x4a n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4a s SER 5 N 0.00 -0.15 0.63 1.61 0.01 -1.26 -5.17 113.70 109.37 1x4a s SER 5 Ca 0.00 0.02 -0.07 0.00 1.31 0.00 0.00 55.95 57.22 1x4a s SER 5 Cb 0.00 0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.41 1x4a s SER 5 CO 0.00 -0.24 0.95 -0.55 0.41 0.00 0.00 173.24 173.81 1x4a s SER 6 N -2.06 5.38 0.00 2.44 0.15 -1.26 -5.10 113.70 113.25 1x4a s SER 6 Ca 0.09 0.69 -0.21 0.00 0.70 0.00 0.00 55.95 57.22 1x4a s SER 6 Cb -0.01 -1.58 0.04 0.00 -1.71 0.00 0.00 66.02 62.77 1x4a s SER 6 CO -0.05 -1.23 0.46 -0.83 1.20 0.00 0.00 173.24 172.80 1x4a s GLY 7 N -4.36 -0.34 -0.42 9.45 0.00 -1.26 -5.12 107.32 105.27 1x4a s GLY 7 Ca 0.56 0.61 0.06 0.00 0.00 0.00 0.00 44.72 45.95 1x4a s GLY 7 CO 0.46 0.34 0.53 1.06 0.00 0.00 0.00 173.10 175.49 1x4a s MET 8 N -1.78 0.82 -0.29 2.90 1.00 -1.26 -5.13 119.30 115.56 1x4a s MET 8 Ca -0.09 -0.84 -0.28 0.00 0.00 0.00 0.00 55.69 54.48 1x4a s MET 8 Cb -0.02 -0.38 0.20 0.00 0.00 0.00 0.00 34.83 34.62 1x4a s MET 8 CO 0.03 -1.24 1.41 0.45 0.00 0.00 0.00 175.02 175.66 1x4a s SER 9 N 1.30 -0.02 0.00 3.03 0.15 -1.26 -5.17 113.70 111.72 1x4a s SER 9 Ca 0.21 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.89 1x4a s SER 9 Cb -0.07 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 1x4a s SER 9 CO -0.06 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1x4a n GLY 10 N 0.87 2.57 1.42 9.45 0.00 -1.26 -5.16 105.19 113.08 1x4a n GLY 10 Ca -0.03 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 1x4a n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4a n GLY 11 N 4.06 0.71 2.60 -0.02 0.00 -1.26 -5.08 105.19 106.20 1x4a n GLY 11 Ca 0.00 -1.98 -0.28 0.00 0.00 0.00 0.00 46.02 43.76 1x4a n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x4a s GLY 12 N -3.38 1.74 0.39 -0.02 0.00 -1.26 -5.11 107.32 99.68 1x4a s GLY 12 Ca 0.24 -2.81 -0.05 0.00 0.00 0.00 0.00 44.72 42.10 1x4a s GLY 12 CO 0.16 1.72 0.68 -1.34 0.00 0.00 0.00 173.10 174.32 1x4a s VAL 13 N -0.22 4.95 0.00 1.40 -7.23 -1.26 -4.87 120.40 113.17 1x4a s VAL 13 Ca 0.27 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 1x4a s VAL 13 Cb -0.06 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 33.07 1x4a s VAL 13 CO -0.13 -0.60 0.00 2.30 -0.31 0.00 0.00 175.10 176.36 1x4a n ILE 14 N -1.65 0.00 0.00 -0.62 -5.35 -1.26 -4.60 119.36 105.88 1x4a n ILE 14 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1x4a n ILE 14 Cb 0.55 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 1x4a n ILE 14 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1x4a n ARG 15 N 0.00 0.00 -3.88 6.28 1.74 -1.26 -4.73 116.66 114.81 1x4a n ARG 15 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 1x4a n ARG 15 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 1x4a n ARG 15 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1x4a s GLY 16 N 0.00 -0.24 -0.08 -0.13 0.00 -1.26 -4.95 107.32 100.66 1x4a s GLY 16 Ca 0.00 0.28 -0.25 0.00 0.00 0.00 0.00 44.72 44.75 1x4a s GLY 16 CO 0.00 4.27 0.93 -0.56 0.00 0.00 0.00 173.10 177.73 1x4a h PRO 17 N 2.00 -0.05 0.00 2.90 0.13 -1.92 -3.47 132.00 131.60 1x4a h PRO 17 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1x4a h PRO 17 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x4a h PRO 17 CO 0.30 0.61 0.00 0.00 -0.23 0.00 0.00 178.00 178.69 1x4a n ALA 18 N -2.52 0.00 -1.50 -0.56 0.00 -1.26 -5.10 120.51 109.57 1x4a n ALA 18 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.02 1x4a n ALA 18 Cb 0.33 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.84 1x4a n ALA 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x4a s GLY 19 N 0.00 2.31 -0.54 0.00 0.00 -1.26 -5.00 107.32 102.83 1x4a s GLY 19 Ca 0.00 0.73 0.04 0.00 0.00 0.00 0.00 44.72 45.49 1x4a s GLY 19 CO 0.00 1.10 0.29 -1.31 0.00 0.00 0.00 173.10 173.18 1x4a s ASN 20 N -2.23 4.30 -0.16 1.64 0.01 -1.26 -4.91 114.94 112.33 1x4a s ASN 20 Ca 0.71 -3.10 -0.12 0.00 -0.71 0.00 0.00 52.86 49.64 1x4a s ASN 20 Cb -0.25 -1.57 0.02 0.00 0.41 0.00 0.00 41.25 39.86 1x4a s ASN 20 CO 0.41 -0.21 0.21 0.59 -1.51 0.00 0.00 177.10 176.59 1x4a n ASN 21 N 2.98 -6.33 -4.10 -1.22 3.02 -1.26 -4.92 115.26 103.44 1x4a n ASN 21 Ca 0.08 0.28 -0.35 0.00 -0.03 0.00 0.00 54.58 54.56 1x4a n ASN 21 Cb 0.33 -1.82 -0.13 0.00 -0.61 0.00 0.00 39.78 37.55 1x4a n ASN 21 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1x4a s ASP 22 N -1.20 5.11 0.27 6.41 1.11 -1.26 -4.91 116.67 122.21 1x4a s ASP 22 Ca 0.12 -2.01 0.15 0.00 0.18 0.00 0.00 52.55 50.99 1x4a s ASP 22 Cb -0.01 -1.77 0.11 0.00 1.07 0.00 0.00 42.92 42.32 1x4a s ASP 22 CO 0.31 -0.48 1.46 0.00 1.18 0.00 0.00 175.17 177.64 1x4a s ARG 24 N -3.01 4.18 0.23 0.00 1.70 -1.26 -1.53 118.95 119.27 1x4a s ARG 24 Ca 0.03 0.65 0.12 0.00 -0.47 0.00 0.00 55.73 56.06 1x4a s ARG 24 Cb 0.08 -3.61 -0.05 0.00 -0.57 0.00 0.00 34.95 30.81 1x4a s ARG 24 CO 0.75 -0.32 -0.22 0.96 -1.08 0.00 0.00 175.30 175.38 1x4a s ILE 25 N 2.19 2.41 -0.05 4.99 -4.36 0.12 -4.75 121.20 121.76 1x4a s ILE 25 Ca 0.29 -2.21 0.06 0.00 -0.26 0.00 0.00 60.65 58.53 1x4a s ILE 25 Cb -0.16 -2.21 -0.02 0.00 1.25 0.00 0.00 42.46 41.33 1x4a s ILE 25 CO 0.10 -0.25 -0.22 -0.47 0.24 0.00 0.00 174.94 174.34 1x4a s TYR 26 N -2.07 2.50 -0.11 1.37 6.14 -0.43 -0.36 117.35 124.39 1x4a s TYR 26 Ca 0.25 -0.45 0.03 0.00 0.64 0.00 0.00 57.07 57.54 1x4a s TYR 26 Cb -0.07 -1.59 -0.00 0.00 0.42 0.00 0.00 41.96 40.72 1x4a s TYR 26 CO 0.12 -0.04 -0.21 0.08 0.64 0.00 0.00 175.55 176.15 1x4a s VAL 27 N -0.45 2.35 0.27 3.14 1.01 -0.53 -1.25 120.40 124.93 1x4a s VAL 27 Ca 0.05 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1x4a s VAL 27 Cb -0.12 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1x4a s VAL 27 CO 0.01 0.55 0.05 0.61 0.00 0.00 0.00 175.10 176.32 1x4a n GLY 28 N 3.51 3.69 3.68 4.51 0.00 0.15 -2.76 105.19 117.96 1x4a n GLY 28 Ca -0.19 -2.15 -0.26 0.00 0.00 0.00 0.00 46.02 43.42 1x4a n GLY 28 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x4a n ASN 29 N -1.51 -3.70 -4.87 1.61 4.05 -1.26 -0.15 115.26 109.43 1x4a n ASN 29 Ca -0.07 -0.94 -0.22 0.00 0.45 0.00 0.00 54.58 53.80 1x4a n ASN 29 Cb 0.37 -3.68 -0.04 0.00 1.23 0.00 0.00 39.78 37.67 1x4a n ASN 29 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1x4a s LEU 30 N -6.48 3.98 0.84 1.20 1.43 -1.25 -3.66 118.68 114.74 1x4a s LEU 30 Ca 0.29 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.13 1x4a s LEU 30 Cb -0.09 -2.52 0.09 0.00 0.03 0.00 0.00 46.19 43.70 1x4a s LEU 30 CO 0.84 -0.04 1.11 -2.16 0.23 0.00 0.00 176.35 176.33 1x4a s PRO 31 N -3.86 1.76 0.34 1.29 0.04 -1.26 -4.33 135.00 128.99 1x4a s PRO 31 Ca 0.33 0.52 0.18 0.00 0.04 0.00 0.00 61.00 62.07 1x4a s PRO 31 Cb -0.08 -1.89 0.47 0.00 0.04 0.00 0.00 34.50 33.04 1x4a s PRO 31 CO 0.26 -1.82 1.63 -1.00 0.04 0.00 0.00 177.00 176.12 1x4a h PRO 32 N -1.23 0.00 -1.70 0.56 0.13 -1.99 -3.20 132.00 124.57 1x4a h PRO 32 Ca -0.48 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.96 1x4a h PRO 32 Cb 1.29 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.09 1x4a h PRO 32 CO 0.60 0.42 0.37 -3.47 -0.23 0.00 0.00 178.00 175.70 1x4a n ASP 33 N -3.41 6.50 -4.93 1.44 2.03 -1.26 -5.00 116.55 111.92 1x4a n ASP 33 Ca 0.01 -3.79 -0.26 0.00 0.52 0.00 0.00 54.79 51.26 1x4a n ASP 33 Cb 0.59 -0.83 -0.03 0.00 -0.72 0.00 0.00 41.12 40.13 1x4a n ASP 33 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1x4a s ILE 34 N -5.19 5.18 0.18 5.18 1.10 -1.21 -5.11 121.20 121.33 1x4a s ILE 34 Ca 0.52 -0.40 0.06 0.00 -0.51 0.00 0.00 60.65 60.32 1x4a s ILE 34 Cb 0.43 -3.76 -0.05 0.00 0.15 0.00 0.00 42.46 39.23 1x4a s ILE 34 CO -0.29 -0.25 -0.12 -0.13 -2.11 0.00 0.00 174.94 172.04 1x4a s ARG 35 N -3.53 1.19 0.48 3.50 0.52 -1.26 -5.03 118.95 114.82 1x4a s ARG 35 Ca 0.39 -1.52 0.27 0.00 -0.52 0.00 0.00 55.73 54.34 1x4a s ARG 35 Cb -0.11 -0.85 0.74 0.00 0.52 0.00 0.00 34.95 35.25 1x4a s ARG 35 CO 0.30 0.12 1.75 1.15 0.02 0.00 0.00 175.30 178.64 1x4a h THR 36 N 2.67 0.03 0.00 0.02 2.02 -1.98 -2.69 112.91 112.98 1x4a h THR 36 Ca -0.37 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 65.96 1x4a h THR 36 Cb 1.21 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 1x4a h THR 36 CO 0.63 0.02 -0.00 0.50 0.37 0.00 0.00 175.52 177.04 1x4a h LYS 37 N 0.00 -0.00 -0.97 6.66 1.63 -1.98 -2.20 116.57 119.72 1x4a h LYS 37 Ca -0.00 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 59.92 1x4a h LYS 37 Cb 0.82 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.37 1x4a h LYS 37 CO 0.00 0.84 0.61 -0.44 -3.45 0.00 0.00 179.45 177.01 1x4a h ASP 38 N -1.00 0.86 1.26 4.20 5.19 -1.98 0.73 116.42 125.69 1x4a h ASP 38 Ca -0.00 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.42 1x4a h ASP 38 Cb 0.84 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.21 1x4a h ASP 38 CO 0.00 0.46 -0.13 0.40 -3.12 0.00 0.00 179.24 176.85 1x4a h ILE 39 N 0.92 0.29 0.09 0.35 2.04 -1.56 -1.99 117.51 117.65 1x4a h ILE 39 Ca 0.47 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1x4a h ILE 39 Cb 0.52 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1x4a h ILE 39 CO -0.24 0.13 -0.04 -0.08 0.00 0.00 0.00 178.15 177.92 1x4a h GLU 40 N 0.00 -0.11 -0.88 2.37 4.81 0.98 -3.15 114.58 118.59 1x4a h GLU 40 Ca -0.00 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.43 1x4a h GLU 40 Cb 0.80 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.14 1x4a h GLU 40 CO 0.02 -0.07 0.59 0.22 -0.73 0.00 0.00 179.01 179.03 1x4a h ASP 41 N -0.51 0.41 0.05 1.04 3.58 -0.74 0.62 116.42 120.87 1x4a h ASP 41 Ca -0.01 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.49 1x4a h ASP 41 Cb 0.09 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.07 1x4a h ASP 41 CO 0.02 0.17 -0.38 0.58 -2.88 0.00 0.00 179.24 176.75 1x4a h VAL 42 N 0.41 0.00 -0.11 2.25 2.07 -1.45 -2.17 116.25 117.25 1x4a h VAL 42 Ca 0.46 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.85 1x4a h VAL 42 Cb 1.13 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1x4a h VAL 42 CO -0.17 0.00 -0.48 -0.26 0.02 0.00 0.00 177.57 176.68 1x4a h PHE 43 N -0.52 0.34 -0.42 1.57 -1.00 -1.24 -2.91 116.94 112.76 1x4a h PHE 43 Ca -0.00 -0.11 0.12 0.00 2.81 0.00 0.00 57.97 60.80 1x4a h PHE 43 Cb 0.53 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.00 1x4a h PHE 43 CO -0.43 0.71 0.72 -0.92 -1.61 0.00 0.00 178.31 176.78 1x4a h TYR 44 N 0.22 0.00 0.00 -0.55 3.20 0.82 1.29 116.97 121.96 1x4a h TYR 44 Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1x4a h TYR 44 Cb 0.94 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.21 1x4a h TYR 44 CO 0.02 0.00 0.00 1.57 -1.64 0.00 0.00 178.16 178.11 1x4a h LYS 45 N 0.00 0.00 0.00 1.82 5.09 -1.25 -2.82 116.57 119.41 1x4a h LYS 45 Ca 0.20 0.00 -0.19 0.00 0.09 0.00 0.00 60.65 60.75 1x4a h LYS 45 Cb 1.65 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.95 1x4a h LYS 45 CO -0.00 0.00 -1.43 0.66 -2.09 0.00 0.00 179.45 176.59 1x4a n TYR 46 N -2.65 0.40 0.00 0.07 4.02 0.44 -5.10 117.16 114.35 1x4a n TYR 46 Ca -0.02 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 1x4a n TYR 46 Cb 0.06 -0.83 0.00 0.00 -0.02 0.00 0.00 39.34 38.55 1x4a n TYR 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x4a n GLY 47 N 1.42 3.92 3.56 2.72 0.00 -1.06 -5.11 105.19 110.63 1x4a n GLY 47 Ca -0.29 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 1x4a n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4a s ALA 48 N -1.42 2.96 0.16 4.61 0.00 -1.26 -4.42 121.76 122.39 1x4a s ALA 48 Ca 0.00 -2.16 0.11 0.00 0.00 0.00 0.00 51.96 49.91 1x4a s ALA 48 Cb 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1x4a s ALA 48 CO 0.00 -0.02 -0.25 0.42 0.00 0.00 0.00 175.76 175.92 1x4a s ILE 49 N -2.71 2.23 -0.21 0.00 1.01 -1.26 -4.11 121.20 116.15 1x4a s ILE 49 Ca 0.33 -1.88 0.01 0.00 0.00 0.00 0.00 60.65 59.11 1x4a s ILE 49 Cb 0.06 -2.01 -0.13 0.00 0.01 0.00 0.00 42.46 40.38 1x4a s ILE 49 CO 0.17 -0.05 -0.19 -1.14 0.00 0.00 0.00 174.94 173.73 1x4a n ARG 50 N 0.58 0.52 -3.58 2.79 0.63 0.64 -4.90 116.66 113.34 1x4a n ARG 50 Ca -0.15 0.12 -0.07 0.00 -0.92 0.00 0.00 57.85 56.83 1x4a n ARG 50 Cb 0.55 -1.41 -0.04 0.00 0.45 0.00 0.00 32.46 32.01 1x4a n ARG 50 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1x4a s ASP 51 N -6.07 -0.26 -0.10 6.15 2.15 -1.21 -5.02 116.67 112.32 1x4a s ASP 51 Ca -0.28 0.17 0.00 0.00 0.43 0.00 0.00 52.55 52.87 1x4a s ASP 51 Cb 0.07 0.23 0.02 0.00 -0.30 0.00 0.00 42.92 42.95 1x4a s ASP 51 CO 0.47 -0.31 -0.09 -0.63 -0.17 0.00 0.00 175.17 174.44 1x4a s ILE 52 N -1.77 1.05 -0.36 4.11 1.01 -1.26 -0.80 121.20 123.19 1x4a s ILE 52 Ca 0.04 -0.34 -0.09 0.00 0.00 0.00 0.00 60.65 60.26 1x4a s ILE 52 Cb -0.01 -1.04 0.03 0.00 0.01 0.00 0.00 42.46 41.45 1x4a s ILE 52 CO -0.03 0.36 0.16 -0.62 0.00 0.00 0.00 174.94 174.81 1x4a s ASP 53 N 1.44 5.55 -0.19 3.58 2.15 0.16 -4.94 116.67 124.43 1x4a s ASP 53 Ca 0.00 -1.03 -0.03 0.00 0.43 0.00 0.00 52.55 51.92 1x4a s ASP 53 Cb -0.13 -1.96 -0.01 0.00 -0.30 0.00 0.00 42.92 40.51 1x4a s ASP 53 CO -0.05 -0.35 -0.06 -0.22 -0.17 0.00 0.00 175.17 174.32 1x4a s LEU 54 N 1.50 2.91 -0.08 -1.34 2.96 -1.26 0.15 118.68 123.52 1x4a s LEU 54 Ca 0.01 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1x4a s LEU 54 Cb -0.19 -1.72 -0.00 0.00 0.50 0.00 0.00 46.19 44.78 1x4a s LEU 54 CO 0.05 0.04 -0.02 0.11 -1.32 0.00 0.00 176.35 175.22 1x4a h LYS 55 N 7.62 0.00 -5.56 1.98 1.79 -1.57 -3.49 116.57 117.34 1x4a h LYS 55 Ca -0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1x4a h LYS 55 Cb 1.18 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.77 1x4a h LYS 55 CO 0.60 0.00 -0.95 -1.71 -1.08 0.00 0.00 179.45 176.31 1x4a n ASN 56 N -4.16 -4.70 0.00 0.86 2.85 -1.23 -4.99 115.26 103.88 1x4a n ASN 56 Ca -0.01 1.12 0.00 0.00 -0.11 0.00 0.00 54.58 55.59 1x4a n ASN 56 Cb 0.03 -3.68 0.00 0.00 1.24 0.00 0.00 39.78 37.36 1x4a n ASN 56 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1x4a n ARG 57 N 1.73 0.00 -1.40 1.20 1.85 -1.26 -5.04 116.66 113.73 1x4a n ARG 57 Ca -0.17 0.00 -0.48 0.00 -1.00 0.00 0.00 57.85 56.20 1x4a n ARG 57 Cb 0.33 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.71 1x4a n ARG 57 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1x4a n ARG 58 N -0.14 0.04 0.00 2.89 1.74 -1.26 -4.51 116.66 115.42 1x4a n ARG 58 Ca 0.00 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1x4a n ARG 58 Cb 0.00 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1x4a n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x4a n GLY 59 N 1.99 0.64 5.47 -0.13 0.00 -1.26 -5.06 105.19 106.84 1x4a n GLY 59 Ca 0.17 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1x4a n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4a n GLY 60 N 0.00 -1.00 3.78 -0.02 0.00 -1.26 -4.93 105.19 101.77 1x4a n GLY 60 Ca 0.00 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 1x4a n GLY 60 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4a s PRO 61 N 0.00 0.81 -0.04 1.61 0.04 -1.26 -4.88 135.00 131.29 1x4a s PRO 61 Ca 0.00 0.16 -0.30 0.00 0.04 0.00 0.00 61.00 60.90 1x4a s PRO 61 Cb 0.00 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1x4a s PRO 61 CO 0.00 -2.40 1.22 -1.25 0.04 0.00 0.00 177.00 174.61 1x4a s PRO 62 N -5.37 4.36 0.24 0.56 0.04 -1.26 -4.81 135.00 128.75 1x4a s PRO 62 Ca 0.66 1.71 0.11 0.00 0.04 0.00 0.00 61.00 63.52 1x4a s PRO 62 Cb -0.13 -3.54 -0.05 0.00 0.04 0.00 0.00 34.50 30.83 1x4a s PRO 62 CO 0.54 -0.43 -0.21 -0.59 0.04 0.00 0.00 177.00 176.34 1x4a s PHE 63 N 2.09 2.21 0.14 0.56 -0.71 -1.26 -3.81 117.98 117.21 1x4a s PHE 63 Ca 0.57 -0.37 -0.19 0.00 -1.04 0.00 0.00 56.93 55.90 1x4a s PHE 63 Cb -0.26 -1.02 0.05 0.00 -1.21 0.00 0.00 43.02 40.58 1x4a s PHE 63 CO 0.23 0.59 0.50 0.00 -1.34 0.00 0.00 175.22 175.20 1x4a s ALA 64 N -2.23 -1.23 -0.18 1.99 0.00 -1.11 -1.25 121.76 117.75 1x4a s ALA 64 Ca 0.25 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1x4a s ALA 64 Cb -0.06 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1x4a s ALA 64 CO 0.12 -0.71 -0.18 -0.06 0.00 0.00 0.00 175.76 174.94 1x4a s PHE 65 N -3.78 2.79 -0.04 0.00 0.40 0.41 -1.46 117.98 116.30 1x4a s PHE 65 Ca 0.02 -1.47 -0.15 0.00 -0.60 0.00 0.00 56.93 54.74 1x4a s PHE 65 Cb 0.00 -1.93 -0.05 0.00 0.51 0.00 0.00 43.02 41.55 1x4a s PHE 65 CO -0.12 -0.72 0.40 0.08 0.70 0.00 0.00 175.22 175.55 1x4a s VAL 66 N 1.23 5.11 -0.33 -0.44 1.01 0.51 -0.66 120.40 126.82 1x4a s VAL 66 Ca 0.03 0.80 -0.05 0.00 0.00 0.00 0.00 61.98 62.76 1x4a s VAL 66 Cb -0.14 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.58 1x4a s VAL 66 CO -0.09 0.51 0.08 -0.70 0.00 0.00 0.00 175.10 174.90 1x4a s GLU 67 N -0.58 2.53 0.41 2.72 2.12 0.02 -0.71 118.70 125.21 1x4a s GLU 67 Ca 0.23 -1.25 -0.07 0.00 0.36 0.00 0.00 54.97 54.24 1x4a s GLU 67 Cb -0.16 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 30.80 1x4a s GLU 67 CO 0.11 -0.68 0.73 -0.06 -0.54 0.00 0.00 175.26 174.82 1x4a s PHE 68 N 1.34 3.51 0.12 5.30 0.08 -0.58 -0.26 117.98 127.49 1x4a s PHE 68 Ca -0.02 0.86 -0.10 0.00 0.12 0.00 0.00 56.93 57.79 1x4a s PHE 68 Cb -0.20 -2.31 -0.11 0.00 -0.57 0.00 0.00 43.02 39.84 1x4a s PHE 68 CO 0.01 -0.11 1.33 0.93 -0.10 0.00 0.00 175.22 177.29 1x4a h GLU 69 N 0.95 0.70 -6.51 0.44 4.39 -1.87 -3.44 114.58 109.24 1x4a h GLU 69 Ca -0.47 -0.58 -0.62 0.00 0.34 0.00 0.00 59.36 58.02 1x4a h GLU 69 Cb 1.20 0.12 -0.20 0.00 -0.10 0.00 0.00 28.75 29.76 1x4a h GLU 69 CO 0.63 1.19 -0.83 -0.51 -1.16 0.00 0.00 179.01 178.33 1x4a s ASP 70 N -7.09 3.07 -0.02 1.42 1.11 -1.26 -5.05 116.67 108.84 1x4a s ASP 70 Ca -0.09 -0.78 -0.22 0.00 0.18 0.00 0.00 52.55 51.63 1x4a s ASP 70 Cb 0.09 -0.20 -0.22 0.00 1.07 0.00 0.00 42.92 43.66 1x4a s ASP 70 CO 0.89 0.10 1.09 1.55 1.18 0.00 0.00 175.17 179.99 1x4a h PRO 71 N 3.66 0.27 -0.97 8.23 0.13 -1.87 -2.34 132.00 139.10 1x4a h PRO 71 Ca -0.47 -0.26 0.19 0.00 -0.87 0.00 0.00 66.00 64.59 1x4a h PRO 71 Cb 1.19 0.07 -0.18 0.00 0.13 0.00 0.00 31.00 32.20 1x4a h PRO 71 CO 0.43 0.95 -0.25 0.54 -0.23 0.00 0.00 178.00 179.45 1x4a n ARG 72 N -4.43 -0.09 0.03 0.86 1.74 -1.26 0.82 116.66 114.33 1x4a n ARG 72 Ca -0.09 1.51 -0.12 0.00 -0.77 0.00 0.00 57.85 58.38 1x4a n ARG 72 Cb 0.53 -2.26 -0.09 0.00 -1.02 0.00 0.00 32.46 29.63 1x4a n ARG 72 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1x4a h ASP 73 N 0.00 -0.13 -1.60 0.55 3.32 -1.97 -1.15 116.42 115.44 1x4a h ASP 73 Ca 0.46 -0.43 0.46 0.00 0.02 0.00 0.00 57.03 57.55 1x4a h ASP 73 Cb 0.71 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.22 1x4a h ASP 73 CO -1.00 0.43 1.15 0.00 -1.72 0.00 0.00 179.24 178.10 1x4a h ALA 74 N -0.07 3.50 0.00 3.45 0.00 -0.12 0.34 119.26 126.36 1x4a h ALA 74 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1x4a h ALA 74 Cb 0.55 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1x4a h ALA 74 CO 0.03 -1.96 -0.06 0.93 0.00 0.00 0.00 179.25 178.18 1x4a h GLU 75 N 0.00 0.00 -1.20 0.00 5.08 0.55 -2.67 114.58 116.34 1x4a h GLU 75 Ca 0.76 0.00 0.45 0.00 -1.00 0.00 0.00 59.36 59.57 1x4a h GLU 75 Cb 3.05 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 32.14 1x4a h GLU 75 CO -0.02 0.00 0.72 -0.25 -1.00 0.00 0.00 179.01 178.46 1x4a n ASP 76 N -3.35 0.27 0.21 1.42 8.00 -0.38 0.18 116.55 122.90 1x4a n ASP 76 Ca -0.01 1.50 -0.09 0.00 0.71 0.00 0.00 54.79 56.91 1x4a n ASP 76 Cb 0.03 -0.74 -0.04 0.00 -0.02 0.00 0.00 41.12 40.35 1x4a n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x4a h ALA 77 N 1.77 -0.74 -0.60 2.24 0.00 -0.52 0.60 119.26 122.00 1x4a h ALA 77 Ca 0.86 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.82 1x4a h ALA 77 Cb 2.55 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 20.54 1x4a h ALA 77 CO -0.60 -0.70 0.49 -0.24 0.00 0.00 0.00 179.25 178.20 1x4a h VAL 78 N -0.86 0.53 0.06 0.00 3.04 0.09 1.21 116.25 120.33 1x4a h VAL 78 Ca -0.06 0.00 -0.25 0.00 -1.01 0.00 0.00 66.70 65.38 1x4a h VAL 78 Cb 0.44 0.64 -0.02 0.00 -2.01 0.00 0.00 31.29 30.34 1x4a h VAL 78 CO 0.10 0.00 -1.18 1.88 -1.01 0.00 0.00 177.57 177.35 1x4a h TYR 79 N 0.00 0.23 0.00 3.17 -1.99 0.21 -3.19 116.97 115.40 1x4a h TYR 79 Ca 0.28 -0.17 0.00 0.00 2.00 0.00 0.00 58.73 60.84 1x4a h TYR 79 Cb 1.26 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.99 1x4a h TYR 79 CO 0.00 1.14 0.00 0.41 -0.00 0.00 0.00 178.16 179.71 1x4a n GLY 80 N 1.46 -0.30 0.30 3.88 0.00 0.21 -4.41 105.19 106.33 1x4a n GLY 80 Ca -0.06 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.20 1x4a n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4a n ARG 81 N -2.02 -0.06 -1.50 1.61 5.12 0.36 -4.29 116.66 115.88 1x4a n ARG 81 Ca 0.00 1.29 -0.40 0.00 -1.93 0.00 0.00 57.85 56.81 1x4a n ARG 81 Cb 0.00 -2.22 -0.15 0.00 -1.16 0.00 0.00 32.46 28.93 1x4a n ARG 81 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1x4a n ASP 82 N -5.15 0.20 -0.03 0.55 2.03 -1.21 0.84 116.55 113.78 1x4a n ASP 82 Ca 0.30 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.75 1x4a n ASP 82 Cb 1.00 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1x4a n ASP 82 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x4a n GLY 83 N 6.45 0.97 3.92 0.27 0.00 -1.17 -4.88 105.19 110.74 1x4a n GLY 83 Ca 0.66 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 46.37 1x4a n GLY 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x4a s TYR 84 N -2.01 2.81 -0.39 1.61 5.04 0.25 -4.87 117.35 119.78 1x4a s TYR 84 Ca 0.00 0.50 0.02 0.00 -2.44 0.00 0.00 57.07 55.14 1x4a s TYR 84 Cb 0.00 -3.33 0.12 0.00 0.35 0.00 0.00 41.96 39.10 1x4a s TYR 84 CO 0.00 -1.60 0.17 0.34 -1.34 0.00 0.00 175.55 173.12 1x4a s ASP 85 N -4.56 3.97 -0.75 4.32 2.15 -1.26 -1.96 116.67 118.57 1x4a s ASP 85 Ca 0.62 -2.28 -0.19 0.00 0.43 0.00 0.00 52.55 51.12 1x4a s ASP 85 Cb -0.10 -1.11 0.12 0.00 -0.30 0.00 0.00 42.92 41.53 1x4a s ASP 85 CO 0.46 -0.33 0.93 -0.47 -0.17 0.00 0.00 175.17 175.60 1x4a s TYR 86 N 0.78 3.03 -1.46 -5.34 6.14 0.84 -4.29 117.35 117.04 1x4a s TYR 86 Ca 0.14 -1.11 -0.11 0.00 0.64 0.00 0.00 57.07 56.63 1x4a s TYR 86 Cb -0.22 -4.17 0.07 0.00 0.42 0.00 0.00 41.96 38.07 1x4a s TYR 86 CO -0.09 -1.43 0.76 -3.47 0.64 0.00 0.00 175.55 171.96 1x4a n ASP 87 N 6.54 -4.66 0.00 4.32 2.03 -1.26 -0.22 116.55 123.30 1x4a n ASP 87 Ca 0.06 -0.58 0.00 0.00 0.52 0.00 0.00 54.79 54.80 1x4a n ASP 87 Cb 0.46 -3.77 0.00 0.00 -0.72 0.00 0.00 41.12 37.09 1x4a n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x4a n GLY 88 N -1.49 3.09 3.59 0.27 0.00 -1.26 -5.00 105.19 104.38 1x4a n GLY 88 Ca 0.00 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1x4a n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x4a s TYR 89 N -1.20 1.84 0.20 1.61 1.51 0.69 -4.94 117.35 117.06 1x4a s TYR 89 Ca 0.00 0.67 -0.30 0.00 -1.01 0.00 0.00 57.07 56.44 1x4a s TYR 89 Cb 0.00 -4.14 -0.08 0.00 -0.11 0.00 0.00 41.96 37.63 1x4a s TYR 89 CO 0.00 -2.69 1.18 1.03 -1.11 0.00 0.00 175.55 173.96 1x4a s ARG 90 N 5.89 4.52 0.28 -0.62 0.52 -1.26 -0.11 118.95 128.16 1x4a s ARG 90 Ca 0.75 1.86 0.07 0.00 -0.52 0.00 0.00 55.73 57.88 1x4a s ARG 90 Cb -0.19 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 1x4a s ARG 90 CO 0.31 -0.04 0.30 -0.51 0.02 0.00 0.00 175.30 175.37 1x4a s LEU 91 N -0.44 3.93 -0.35 2.53 1.43 -0.83 -4.49 118.68 120.46 1x4a s LEU 91 Ca 0.51 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1x4a s LEU 91 Cb -0.32 -2.51 0.11 0.00 0.03 0.00 0.00 46.19 43.50 1x4a s LEU 91 CO 0.37 -0.16 0.12 -0.60 0.23 0.00 0.00 176.35 176.32 1x4a s ARG 92 N -3.95 1.03 -0.19 1.70 3.52 0.79 -3.05 118.95 118.80 1x4a s ARG 92 Ca 0.36 -1.49 -0.14 0.00 -0.13 0.00 0.00 55.73 54.33 1x4a s ARG 92 Cb -0.08 -2.35 -0.04 0.00 -1.56 0.00 0.00 34.95 30.92 1x4a s ARG 92 CO 0.27 -1.02 0.30 0.08 -0.81 0.00 0.00 175.30 174.12 1x4a s VAL 93 N 1.13 5.28 0.36 7.11 1.01 -1.26 0.30 120.40 134.33 1x4a s VAL 93 Ca 0.12 0.52 -0.17 0.00 0.00 0.00 0.00 61.98 62.45 1x4a s VAL 93 Cb -0.20 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.60 1x4a s VAL 93 CO -0.15 0.34 0.78 -1.83 0.00 0.00 0.00 175.10 174.23 1x4a s GLU 94 N 0.86 2.13 0.08 2.72 -1.05 -0.38 -4.40 118.70 118.65 1x4a s GLU 94 Ca 0.15 -1.34 -0.01 0.00 -0.15 0.00 0.00 54.97 53.63 1x4a s GLU 94 Cb -0.14 0.62 -0.04 0.00 -0.44 0.00 0.00 34.13 34.13 1x4a s GLU 94 CO 0.05 -0.99 0.25 -0.06 0.95 0.00 0.00 175.26 175.45 1x4a s PHE 95 N -2.65 3.51 0.63 4.83 0.08 -1.26 -1.32 117.98 121.80 1x4a s PHE 95 Ca 0.15 0.32 -0.14 0.00 0.12 0.00 0.00 56.93 57.38 1x4a s PHE 95 Cb -0.05 -1.81 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 1x4a s PHE 95 CO 0.10 0.56 1.05 -1.25 -0.10 0.00 0.00 175.22 175.58 1x4a s PRO 96 N -2.53 3.19 -0.00 0.24 0.04 -1.26 -4.96 135.00 129.72 1x4a s PRO 96 Ca 0.36 1.08 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 1x4a s PRO 96 Cb -0.13 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.39 1x4a s PRO 96 CO 0.27 -0.90 0.06 0.50 0.04 0.00 0.00 177.00 176.97 1x4a s ARG 97 N -4.51 0.30 0.20 4.56 3.52 -1.26 -5.15 118.95 116.62 1x4a s ARG 97 Ca 0.61 -0.33 0.10 0.00 -0.13 0.00 0.00 55.73 55.98 1x4a s ARG 97 Cb -0.15 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.32 1x4a s ARG 97 CO 0.45 -0.06 -0.20 -1.54 -0.81 0.00 0.00 175.30 173.13 1x4a s SER 98 N -0.99 3.11 0.67 -2.12 1.04 -1.26 -5.15 113.70 109.01 1x4a s SER 98 Ca -0.11 -0.92 -0.02 0.00 0.48 0.00 0.00 55.95 55.38 1x4a s SER 98 Cb -0.06 -0.22 0.08 0.00 0.10 0.00 0.00 66.02 65.91 1x4a s SER 98 CO 0.00 0.02 0.49 0.61 0.98 0.00 0.00 173.24 175.34 1x4a n GLY 99 N 0.02 0.14 2.54 7.32 0.00 -1.26 -4.88 105.19 109.07 1x4a n GLY 99 Ca -0.11 -1.90 -0.02 0.00 0.00 0.00 0.00 46.02 43.99 1x4a n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4a n ARG 100 N -1.96 -3.63 0.00 1.61 1.74 -1.26 -5.06 116.66 108.10 1x4a n ARG 100 Ca 0.07 2.73 0.00 0.00 -0.77 0.00 0.00 57.85 59.89 1x4a n ARG 100 Cb 0.26 -3.64 0.00 0.00 -1.02 0.00 0.00 32.46 28.06 1x4a n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x4a n GLY 101 N 1.95 2.60 2.71 -0.13 0.00 -1.26 -5.15 105.19 105.89 1x4a n GLY 101 Ca -0.17 0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1x4a n GLY 101 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x4a s THR 102 N 0.00 -0.16 0.00 2.61 -1.32 -1.26 -5.11 115.64 110.39 1x4a s THR 102 Ca 0.00 0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 1x4a s THR 102 Cb 0.00 -0.34 0.00 0.00 -1.51 0.00 0.00 72.50 70.65 1x4a s THR 102 CO 0.00 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1x4a n GLY 103 N 5.30 2.82 3.22 6.08 0.00 -1.26 -5.07 105.19 116.29 1x4a n GLY 103 Ca -0.05 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 1x4a n GLY 103 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4a n SER 104 N 0.00 -6.97 -3.95 1.61 7.64 -1.26 -4.98 113.62 105.71 1x4a n SER 104 Ca 0.00 -0.13 -0.31 0.00 1.01 0.00 0.00 58.87 59.44 1x4a n SER 104 Cb 0.00 -4.17 -0.15 0.00 -1.01 0.00 0.00 64.21 58.88 1x4a n SER 104 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4a s GLY 105 N -2.74 1.91 -0.13 0.23 0.00 -1.26 -5.09 107.32 100.24 1x4a s GLY 105 Ca 0.10 -2.58 -0.29 0.00 0.00 0.00 0.00 44.72 41.95 1x4a s GLY 105 CO 0.80 1.08 1.26 2.56 0.00 0.00 0.00 173.10 178.80 1x4a s PRO 106 N 0.72 4.26 -0.34 2.90 0.04 -1.26 -4.97 135.00 136.35 1x4a s PRO 106 Ca 0.12 1.68 0.03 0.00 0.04 0.00 0.00 61.00 62.87 1x4a s PRO 106 Cb -0.21 -3.71 0.15 0.00 0.04 0.00 0.00 34.50 30.78 1x4a s PRO 106 CO -0.08 -0.64 0.39 -1.12 0.04 0.00 0.00 177.00 175.58 1x4a s SER 107 N 1.87 0.88 -0.19 6.66 0.01 -1.26 -5.13 113.70 116.55 1x4a s SER 107 Ca 0.55 -1.09 -0.28 0.00 1.31 0.00 0.00 55.95 56.45 1x4a s SER 107 Cb -0.23 0.78 0.10 0.00 0.21 0.00 0.00 66.02 66.88 1x4a s SER 107 CO 0.17 -0.30 0.85 -0.44 0.41 0.00 0.00 173.24 173.93 1x4a s SER 108 N 1.90 -0.56 0.00 2.44 0.01 -1.26 -5.33 113.70 110.89 1x4a s SER 108 Ca 0.14 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.27 1x4a s SER 108 Cb -0.13 0.81 0.00 0.00 0.21 0.00 0.00 66.02 66.90 1x4a s SER 108 CO -0.16 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.76