#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 -0.29 0.00 1.61 0.15 -1.26 -5.19 113.70 108.73 1x4a s SER 2 Ca 0.00 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1x4a s SER 2 Cb 0.00 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1x4a s SER 2 CO 0.00 -0.76 0.00 -1.20 1.20 0.00 0.00 173.24 172.48 1x4a n SER 3 N -0.35 0.00 -4.73 5.45 7.64 -1.26 -5.18 113.62 115.19 1x4a n SER 3 Ca -0.08 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.57 1x4a n SER 3 Cb 0.61 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 1x4a n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4a s GLY 4 N 0.00 1.88 0.10 0.23 0.00 -1.26 -5.14 107.32 103.13 1x4a s GLY 4 Ca 0.00 -1.78 -0.26 0.00 0.00 0.00 0.00 44.72 42.68 1x4a s GLY 4 CO 0.00 -1.73 0.81 -0.45 0.00 0.00 0.00 173.10 171.72 1x4a s SER 5 N -3.83 -0.37 0.44 1.64 0.15 -1.26 -5.14 113.70 105.33 1x4a s SER 5 Ca 0.37 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1x4a s SER 5 Cb -0.03 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1x4a s SER 5 CO 0.23 -0.85 0.00 -1.20 1.20 0.00 0.00 173.24 172.61 1x4a n SER 6 N -0.35 -7.75 -2.17 5.45 7.64 -1.26 -5.07 113.62 110.12 1x4a n SER 6 Ca -0.10 1.09 -0.04 0.00 1.01 0.00 0.00 58.87 60.84 1x4a n SER 6 Cb 0.62 -4.08 -0.01 0.00 -1.01 0.00 0.00 64.21 59.74 1x4a n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4a n GLY 7 N -0.71 4.08 3.41 0.23 0.00 -1.26 -5.13 105.19 105.81 1x4a n GLY 7 Ca 0.00 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 1x4a n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x4a s MET 8 N -2.22 0.51 0.00 1.61 0.00 -1.26 -5.12 119.30 112.81 1x4a s MET 8 Ca 0.01 0.97 0.00 0.00 0.00 0.00 0.00 55.69 56.67 1x4a s MET 8 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 34.83 34.90 1x4a s MET 8 CO 0.01 -0.16 0.00 0.43 0.00 0.00 0.00 175.02 175.30 1x4a n SER 9 N 4.36 0.00 0.00 -1.18 7.64 -1.26 -5.03 113.62 118.15 1x4a n SER 9 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.67 1x4a n SER 9 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1x4a n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4a n GLY 10 N -0.03 0.51 3.64 0.23 0.00 -1.26 -4.79 105.19 103.50 1x4a n GLY 10 Ca 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 1x4a n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x4a s GLY 11 N 0.00 0.14 0.00 -0.02 0.00 -1.26 -4.56 107.32 101.62 1x4a s GLY 11 Ca 0.00 3.21 0.00 0.00 0.00 0.00 0.00 44.72 47.93 1x4a s GLY 11 CO 0.00 2.24 0.00 0.61 0.00 0.00 0.00 173.10 175.95 1x4a n GLY 12 N 2.67 -0.65 4.10 0.20 0.00 -1.24 -4.87 105.19 105.40 1x4a n GLY 12 Ca -0.15 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 1x4a n GLY 12 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x4a n VAL 13 N 0.93 -2.57 -0.26 1.61 0.24 -1.26 -4.77 118.33 112.24 1x4a n VAL 13 Ca 0.00 -0.60 0.06 0.00 -2.04 0.00 0.00 64.34 61.76 1x4a n VAL 13 Cb 0.00 -2.16 0.17 0.00 -1.47 0.00 0.00 33.84 30.39 1x4a n VAL 13 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 1x4a h ILE 14 N -2.26 0.34 -3.25 1.34 2.10 -1.96 -3.40 117.51 110.42 1x4a h ILE 14 Ca -0.69 -0.04 -0.21 0.00 1.08 0.00 0.00 64.86 65.01 1x4a h ILE 14 Cb 1.40 0.21 -0.29 0.00 -1.09 0.00 0.00 36.82 37.05 1x4a h ILE 14 CO 0.58 0.02 -0.54 -0.13 -1.08 0.00 0.00 178.15 177.00 1x4a s ARG 15 N -6.09 0.16 0.50 2.19 0.52 -1.26 -5.16 118.95 109.81 1x4a s ARG 15 Ca -0.13 0.33 -0.04 0.00 -0.52 0.00 0.00 55.73 55.36 1x4a s ARG 15 Cb 0.23 -0.03 -0.02 0.00 0.52 0.00 0.00 34.95 35.65 1x4a s ARG 15 CO 0.76 -0.09 0.79 0.20 0.02 0.00 0.00 175.30 176.97 1x4a s GLY 16 N 0.64 1.53 0.02 -3.53 0.00 -1.26 -5.04 107.32 99.68 1x4a s GLY 16 Ca -0.05 -0.69 -0.30 0.00 0.00 0.00 0.00 44.72 43.68 1x4a s GLY 16 CO -0.03 -0.50 1.18 2.56 0.00 0.00 0.00 173.10 176.31 1x4a s PRO 17 N -4.76 4.42 0.13 2.90 0.04 -1.26 -5.03 135.00 131.44 1x4a s PRO 17 Ca 0.49 1.72 0.07 0.00 0.04 0.00 0.00 61.00 63.32 1x4a s PRO 17 Cb -0.10 -3.42 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 1x4a s PRO 17 CO 0.43 -0.30 -0.17 0.00 0.04 0.00 0.00 177.00 177.01 1x4a s ALA 18 N 1.39 1.73 0.00 8.56 0.00 -1.26 -5.11 121.76 127.07 1x4a s ALA 18 Ca 0.57 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1x4a s ALA 18 Cb -0.27 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1x4a s ALA 18 CO 0.27 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.63 1x4a n GLY 19 N 0.53 2.22 3.21 0.00 0.00 -1.26 -5.16 105.19 104.73 1x4a n GLY 19 Ca -0.15 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.69 1x4a n GLY 19 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4a s ASN 20 N 1.00 -0.51 -0.08 1.61 0.01 -1.26 -5.17 114.94 110.53 1x4a s ASN 20 Ca 0.00 0.43 -0.32 0.00 -0.71 0.00 0.00 52.86 52.25 1x4a s ASN 20 Cb 0.00 1.47 0.13 0.00 0.41 0.00 0.00 41.25 43.27 1x4a s ASN 20 CO 0.00 -0.10 1.33 0.54 -1.51 0.00 0.00 177.10 177.36 1x4a s ASN 21 N 2.76 -0.05 0.13 -1.22 2.20 -1.26 -5.19 114.94 112.32 1x4a s ASN 21 Ca 0.00 -0.07 0.00 0.00 -0.94 0.00 0.00 52.86 51.85 1x4a s ASN 21 Cb -0.09 0.10 0.00 0.00 -2.00 0.00 0.00 41.25 39.27 1x4a s ASN 21 CO -0.13 -0.19 0.00 0.47 -2.94 0.00 0.00 177.10 174.31 1x4a n ASP 22 N -0.40 2.34 -2.62 3.54 8.00 -1.26 -4.75 116.55 121.40 1x4a n ASP 22 Ca -0.07 -1.57 -0.21 0.00 0.71 0.00 0.00 54.79 53.65 1x4a n ASP 22 Cb 0.62 0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.81 1x4a n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x4a s ARG 24 N -5.28 3.58 -0.03 0.00 1.70 -1.26 -0.45 118.95 117.21 1x4a s ARG 24 Ca 0.11 -0.56 0.05 0.00 -0.47 0.00 0.00 55.73 54.85 1x4a s ARG 24 Cb -0.05 -2.90 -0.01 0.00 -0.57 0.00 0.00 34.95 31.42 1x4a s ARG 24 CO 0.13 0.14 -0.17 0.96 -1.08 0.00 0.00 175.30 175.29 1x4a s ILE 25 N 0.60 1.39 -0.16 4.99 -4.36 -0.37 -4.49 121.20 118.80 1x4a s ILE 25 Ca -0.03 -0.71 -0.12 0.00 -0.26 0.00 0.00 60.65 59.53 1x4a s ILE 25 Cb -0.15 -1.18 -0.05 0.00 1.25 0.00 0.00 42.46 42.34 1x4a s ILE 25 CO 0.03 0.40 0.22 -0.47 0.24 0.00 0.00 174.94 175.35 1x4a s TYR 26 N -0.10 3.47 -0.18 1.37 6.14 -0.19 -0.27 117.35 127.59 1x4a s TYR 26 Ca -0.00 0.50 -0.03 0.00 0.64 0.00 0.00 57.07 58.18 1x4a s TYR 26 Cb -0.10 -2.23 -0.02 0.00 0.42 0.00 0.00 41.96 40.04 1x4a s TYR 26 CO 0.01 0.33 -0.06 0.08 0.64 0.00 0.00 175.55 176.55 1x4a s VAL 27 N 0.20 3.45 0.49 3.14 1.01 -0.12 -1.10 120.40 127.47 1x4a s VAL 27 Ca 0.13 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1x4a s VAL 27 Cb -0.12 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1x4a s VAL 27 CO 0.02 0.47 0.06 -0.83 0.00 0.00 0.00 175.10 174.82 1x4a s GLY 28 N 0.84 2.98 -1.30 4.51 0.00 0.65 -2.81 107.32 112.19 1x4a s GLY 28 Ca -0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 44.72 44.23 1x4a s GLY 28 CO 0.01 -2.07 0.94 0.70 0.00 0.00 0.00 173.10 172.69 1x4a n ASN 29 N -1.38 -2.90 -4.96 1.64 4.13 -1.26 -0.58 115.26 109.94 1x4a n ASN 29 Ca -0.16 -0.69 -0.21 0.00 1.68 0.00 0.00 54.58 55.21 1x4a n ASN 29 Cb 0.66 -4.64 -0.02 0.00 -1.54 0.00 0.00 39.78 34.24 1x4a n ASN 29 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1x4a s LEU 30 N -6.74 4.30 0.76 3.41 1.43 -1.25 -3.90 118.68 116.68 1x4a s LEU 30 Ca 0.19 0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 1x4a s LEU 30 Cb -0.09 -2.84 0.05 0.00 0.03 0.00 0.00 46.19 43.34 1x4a s LEU 30 CO 0.77 -0.07 1.08 -2.16 0.23 0.00 0.00 176.35 176.20 1x4a s PRO 31 N -3.98 2.40 0.30 1.29 0.04 -1.26 -4.30 135.00 129.50 1x4a s PRO 31 Ca 0.34 0.75 0.15 0.00 0.04 0.00 0.00 61.00 62.28 1x4a s PRO 31 Cb -0.09 -1.95 0.37 0.00 0.04 0.00 0.00 34.50 32.88 1x4a s PRO 31 CO 0.29 -1.43 1.59 -1.00 0.04 0.00 0.00 177.00 176.49 1x4a h PRO 32 N -0.95 0.00 -1.52 0.56 0.13 -1.99 -3.17 132.00 125.06 1x4a h PRO 32 Ca -0.46 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 63.96 1x4a h PRO 32 Cb 1.25 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.08 1x4a h PRO 32 CO 0.58 0.53 0.74 -3.47 -0.23 0.00 0.00 178.00 176.15 1x4a n ASP 33 N -3.48 7.22 -4.94 1.44 2.03 -1.26 -4.98 116.55 112.57 1x4a n ASP 33 Ca 0.00 -3.81 -0.25 0.00 0.52 0.00 0.00 54.79 51.25 1x4a n ASP 33 Cb 0.63 -0.94 -0.03 0.00 -0.72 0.00 0.00 41.12 40.06 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 -5.00 5.27 0.11 5.18 1.10 -1.20 -5.12 121.20 121.54 1x4a s ILE 34 Ca 0.56 -0.64 0.06 0.00 -0.51 0.00 0.00 60.65 60.12 1x4a s ILE 34 Cb 0.46 -3.77 -0.04 0.00 0.15 0.00 0.00 42.46 39.27 1x4a s ILE 34 CO -0.22 -0.19 -0.14 -0.13 -2.11 0.00 0.00 174.94 172.15 1x4a s ARG 35 N -3.47 0.96 0.53 3.50 0.52 -1.26 -5.02 118.95 114.72 1x4a s ARG 35 Ca 0.36 -1.16 0.30 0.00 -0.52 0.00 0.00 55.73 54.71 1x4a s ARG 35 Cb -0.11 -0.87 1.47 0.00 0.52 0.00 0.00 34.95 35.96 1x4a s ARG 35 CO 0.29 0.17 2.05 1.15 0.02 0.00 0.00 175.30 178.98 1x4a h THR 36 N 3.73 0.37 0.25 0.02 2.02 -1.99 -2.67 112.91 114.64 1x4a h THR 36 Ca -0.40 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 1x4a h THR 36 Cb 1.19 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1x4a h THR 36 CO 0.48 0.10 -0.12 0.50 0.37 0.00 0.00 175.52 176.84 1x4a h LYS 37 N 0.00 -0.32 -0.82 6.66 1.63 -1.98 -1.27 116.57 120.47 1x4a h LYS 37 Ca -0.00 0.02 0.20 0.00 -0.85 0.00 0.00 60.65 60.02 1x4a h LYS 37 Cb 0.40 0.07 -0.13 0.00 -0.60 0.00 0.00 32.23 31.98 1x4a h LYS 37 CO 0.01 -0.01 0.21 -0.44 -3.45 0.00 0.00 179.45 175.77 1x4a h ASP 38 N -0.98 0.00 0.22 4.20 3.32 -1.95 1.59 116.42 122.83 1x4a h ASP 38 Ca -0.03 0.18 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 1x4a h ASP 38 Cb 0.46 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1x4a h ASP 38 CO 0.06 -0.10 -0.30 0.40 -1.72 0.00 0.00 179.24 177.58 1x4a h ILE 39 N 0.24 1.24 0.44 0.35 2.04 -1.51 -0.56 117.51 119.75 1x4a h ILE 39 Ca 0.49 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1x4a h ILE 39 Cb 0.93 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1x4a h ILE 39 CO -0.60 0.34 -0.21 -0.08 0.00 0.00 0.00 178.15 177.60 1x4a h GLU 40 N 0.11 -0.57 0.00 2.37 4.81 0.33 -1.34 114.58 120.29 1x4a h GLU 40 Ca 0.02 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1x4a h GLU 40 Cb 0.59 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1x4a h GLU 40 CO 0.04 -0.28 0.00 -0.25 -0.73 0.00 0.00 179.01 177.79 1x4a n ASP 41 N -5.19 0.54 0.01 1.04 8.00 0.16 0.11 116.55 121.22 1x4a n ASP 41 Ca -0.09 0.72 -0.01 0.00 0.71 0.00 0.00 54.79 56.12 1x4a n ASP 41 Cb 0.28 -0.81 -0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1x4a n ASP 41 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1x4a h VAL 42 N 0.00 0.00 0.00 2.53 2.07 -0.86 -3.34 116.25 116.65 1x4a h VAL 42 Ca 0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1x4a h VAL 42 Cb 0.08 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1x4a h VAL 42 CO 0.00 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.08 1x4a n PHE 43 N -3.25 0.55 0.25 1.57 3.01 -0.53 -2.66 117.46 116.41 1x4a n PHE 43 Ca -0.01 0.20 0.10 0.00 1.01 0.00 0.00 57.45 58.75 1x4a n PHE 43 Cb 0.03 -0.83 0.66 0.00 -0.01 0.00 0.00 39.48 39.33 1x4a n PHE 43 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 1x4a h TYR 44 N 0.00 0.00 0.00 1.38 5.03 0.64 -0.50 116.97 123.52 1x4a h TYR 44 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1x4a h TYR 44 Cb 0.41 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.69 1x4a h TYR 44 CO 0.00 0.13 0.00 0.87 -1.32 0.00 0.00 178.16 177.84 1x4a h LYS 45 N 0.00 0.00 -0.89 1.82 1.57 -1.62 -0.70 116.57 116.75 1x4a h LYS 45 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1x4a h LYS 45 Cb 0.30 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.40 1x4a h LYS 45 CO 0.02 0.00 0.44 0.66 -0.57 0.00 0.00 179.45 180.00 1x4a n TYR 46 N -2.99 2.61 0.00 -1.35 4.01 -0.20 -4.99 117.16 114.24 1x4a n TYR 46 Ca -0.01 -1.45 0.00 0.00 -0.16 0.00 0.00 57.90 56.28 1x4a n TYR 46 Cb 0.16 -0.78 0.00 0.00 -0.31 0.00 0.00 39.34 38.41 1x4a n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x4a n GLY 47 N -0.57 0.78 3.41 2.72 0.00 -0.27 -4.86 105.19 106.39 1x4a n GLY 47 Ca 0.47 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.77 0.28 0.07 4.61 0.00 -1.26 -4.71 121.76 118.97 1x4a s ALA 48 Ca 0.00 -1.16 0.09 0.00 0.00 0.00 0.00 51.96 50.90 1x4a s ALA 48 Cb 0.00 1.13 -0.03 0.00 0.00 0.00 0.00 23.12 24.22 1x4a s ALA 48 CO 0.00 -0.72 -0.26 0.42 0.00 0.00 0.00 175.76 175.20 1x4a s ILE 49 N -4.06 2.10 -0.16 0.00 1.01 -1.26 -4.00 121.20 114.83 1x4a s ILE 49 Ca 0.27 -1.46 -0.09 0.00 0.00 0.00 0.00 60.65 59.37 1x4a s ILE 49 Cb 0.03 -1.81 -0.23 0.00 0.01 0.00 0.00 42.46 40.45 1x4a s ILE 49 CO 0.08 0.27 0.23 -1.14 0.00 0.00 0.00 174.94 174.38 1x4a n ARG 50 N 1.57 0.70 -3.61 2.79 0.63 0.27 -4.91 116.66 114.09 1x4a n ARG 50 Ca -0.17 0.32 -0.08 0.00 -0.92 0.00 0.00 57.85 56.99 1x4a n ARG 50 Cb 0.52 -1.68 -0.06 0.00 0.45 0.00 0.00 32.46 31.69 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 -6.97 -0.34 -0.09 6.15 2.15 -1.18 -5.02 116.67 111.37 1x4a s ASP 51 Ca -0.26 0.53 0.03 0.00 0.43 0.00 0.00 52.55 53.28 1x4a s ASP 51 Cb 0.07 0.49 0.00 0.00 -0.30 0.00 0.00 42.92 43.19 1x4a s ASP 51 CO 0.70 -0.20 -0.20 -0.63 -0.17 0.00 0.00 175.17 174.66 1x4a s ILE 52 N -0.43 1.78 -0.25 4.11 1.01 -1.26 -1.03 121.20 125.12 1x4a s ILE 52 Ca 0.02 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 1x4a s ILE 52 Cb -0.03 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.92 1x4a s ILE 52 CO -0.04 0.50 -0.08 -0.62 0.00 0.00 0.00 174.94 174.70 1x4a s ASP 53 N 0.48 4.26 -0.17 3.58 -1.08 0.25 -4.95 116.67 119.05 1x4a s ASP 53 Ca -0.17 -0.95 -0.00 0.00 -0.52 0.00 0.00 52.55 50.91 1x4a s ASP 53 Cb -0.17 -1.63 0.00 0.00 -1.46 0.00 0.00 42.92 39.66 1x4a s ASP 53 CO 0.07 -0.13 -0.15 -0.22 0.52 0.00 0.00 175.17 175.25 1x4a s LEU 54 N 1.28 2.44 0.00 -1.34 2.96 -1.26 0.13 118.68 122.89 1x4a s LEU 54 Ca -0.01 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 1x4a s LEU 54 Cb -0.17 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 44.96 1x4a s LEU 54 CO -0.05 0.05 0.16 0.29 -1.32 0.00 0.00 176.35 175.48 1x4a n LYS 55 N 4.28 0.00 -2.40 1.98 4.01 -0.31 -4.98 118.16 120.74 1x4a n LYS 55 Ca -0.19 0.24 -0.01 0.00 -0.51 0.00 0.00 58.31 57.84 1x4a n LYS 55 Cb 0.51 -0.85 -0.01 0.00 -0.51 0.00 0.00 35.03 34.18 1x4a n LYS 55 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1x4a n ASN 56 N -1.23 -5.63 -3.60 4.39 2.85 -1.25 -5.00 115.26 105.78 1x4a n ASN 56 Ca 0.00 1.07 -0.00 0.00 -0.11 0.00 0.00 54.58 55.54 1x4a n ASN 56 Cb 0.00 -4.26 -0.01 0.00 1.24 0.00 0.00 39.78 36.75 1x4a n ASN 56 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1x4a s ARG 57 N -1.15 0.23 -0.08 1.20 3.52 -1.26 -5.07 118.95 116.34 1x4a s ARG 57 Ca -0.03 -0.11 -0.41 0.00 -0.13 0.00 0.00 55.73 55.05 1x4a s ARG 57 Cb 0.00 0.09 -0.20 0.00 -1.56 0.00 0.00 34.95 33.28 1x4a s ARG 57 CO 0.59 -0.10 1.14 0.54 -0.81 0.00 0.00 175.30 176.67 1x4a n ARG 58 N -0.30 0.00 0.00 5.12 1.74 -1.26 -4.57 116.66 117.39 1x4a n ARG 58 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1x4a n ARG 58 Cb 0.61 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 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 1.87 0.19 7.00 -0.13 0.00 -1.26 -3.60 105.19 109.26 1x4a n GLY 59 Ca 0.22 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.27 3.78 -0.02 0.00 -1.26 -4.87 105.19 102.55 1x4a n GLY 60 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 0.72 0.17 1.61 0.04 -1.26 -4.87 135.00 131.41 1x4a s PRO 61 Ca 0.00 0.12 -0.30 0.00 0.04 0.00 0.00 61.00 60.86 1x4a s PRO 61 Cb 0.00 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 1x4a s PRO 61 CO 0.00 -2.45 1.12 -1.25 0.04 0.00 0.00 177.00 174.46 1x4a s PRO 62 N -5.40 4.56 0.10 0.56 0.04 -1.26 -4.86 135.00 128.74 1x4a s PRO 62 Ca 0.66 1.74 0.06 0.00 0.04 0.00 0.00 61.00 63.51 1x4a s PRO 62 Cb -0.12 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 1x4a s PRO 62 CO 0.54 0.02 -0.16 -0.59 0.04 0.00 0.00 177.00 176.85 1x4a s PHE 63 N -0.11 1.44 0.12 0.56 -0.71 -1.26 -3.87 117.98 114.14 1x4a s PHE 63 Ca 0.51 -0.48 -0.20 0.00 -1.04 0.00 0.00 56.93 55.72 1x4a s PHE 63 Cb -0.30 -0.78 0.05 0.00 -1.21 0.00 0.00 43.02 40.78 1x4a s PHE 63 CO 0.35 0.13 0.50 0.00 -1.34 0.00 0.00 175.22 174.86 1x4a s ALA 64 N -1.56 -1.25 -0.07 1.99 0.00 -1.12 -1.16 121.76 118.59 1x4a s ALA 64 Ca 0.04 0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.32 1x4a s ALA 64 Cb -0.08 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 1x4a s ALA 64 CO 0.03 -0.66 -0.18 -0.06 0.00 0.00 0.00 175.76 174.90 1x4a s PHE 65 N -3.50 2.63 -0.20 0.00 0.40 0.34 -0.94 117.98 116.71 1x4a s PHE 65 Ca 0.01 -0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 55.88 1x4a s PHE 65 Cb 0.00 -1.66 -0.01 0.00 0.51 0.00 0.00 43.02 41.86 1x4a s PHE 65 CO -0.10 -0.02 -0.05 0.08 0.70 0.00 0.00 175.22 175.83 1x4a s VAL 66 N -0.35 3.47 -0.40 -0.44 1.01 0.63 -0.58 120.40 123.74 1x4a s VAL 66 Ca 0.03 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1x4a s VAL 66 Cb -0.12 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.74 1x4a s VAL 66 CO 0.02 0.45 0.26 -0.70 0.00 0.00 0.00 175.10 175.13 1x4a s GLU 67 N 1.10 2.86 0.74 2.72 2.56 -0.20 -1.23 118.70 127.25 1x4a s GLU 67 Ca 0.01 -1.13 -0.09 0.00 0.00 0.00 0.00 54.97 53.77 1x4a s GLU 67 Cb -0.15 -3.85 0.06 0.00 2.00 0.00 0.00 34.13 32.20 1x4a s GLU 67 CO -0.00 -0.77 1.08 -0.06 -0.56 0.00 0.00 175.26 174.95 1x4a s PHE 68 N 1.59 2.97 0.04 5.30 0.08 0.41 0.98 117.98 129.35 1x4a s PHE 68 Ca 0.03 0.62 -0.06 0.00 0.12 0.00 0.00 56.93 57.64 1x4a s PHE 68 Cb -0.20 -3.29 -0.29 0.00 -0.57 0.00 0.00 43.02 38.67 1x4a s PHE 68 CO 0.07 -1.51 1.02 0.93 -0.10 0.00 0.00 175.22 175.63 1x4a h GLU 69 N -0.77 0.31 -5.94 0.44 4.39 -1.88 -3.42 114.58 107.71 1x4a h GLU 69 Ca -0.45 -0.53 -0.52 0.00 0.34 0.00 0.00 59.36 58.20 1x4a h GLU 69 Cb 1.31 0.20 -0.21 0.00 -0.10 0.00 0.00 28.75 29.95 1x4a h GLU 69 CO 0.63 1.23 -0.81 -0.51 -1.16 0.00 0.00 179.01 178.39 1x4a s ASP 70 N -7.17 2.38 -0.01 1.42 1.11 -1.26 -5.06 116.67 108.08 1x4a s ASP 70 Ca -0.07 -0.71 -0.22 0.00 0.18 0.00 0.00 52.55 51.74 1x4a s ASP 70 Cb 0.06 -0.12 -0.22 0.00 1.07 0.00 0.00 42.92 43.71 1x4a s ASP 70 CO 0.88 0.01 1.11 1.55 1.18 0.00 0.00 175.17 179.90 1x4a h PRO 71 N 3.94 0.32 -1.06 8.23 0.13 -1.94 -0.87 132.00 140.74 1x4a h PRO 71 Ca -0.44 -0.31 0.29 0.00 -0.87 0.00 0.00 66.00 64.67 1x4a h PRO 71 Cb 1.19 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.32 1x4a h PRO 71 CO 0.42 0.99 0.72 0.00 -0.23 0.00 0.00 178.00 179.90 1x4a h ARG 72 N -0.23 0.22 0.00 0.86 3.08 -1.99 0.20 114.38 116.51 1x4a h ARG 72 Ca -0.04 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 1x4a h ARG 72 Cb 1.11 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 1x4a h ARG 72 CO 0.08 0.15 -0.61 -0.44 -1.07 0.00 0.00 179.97 178.08 1x4a h ASP 73 N 0.23 0.00 -1.27 7.04 5.19 -1.91 -2.62 116.42 123.08 1x4a h ASP 73 Ca 0.56 -0.76 0.37 0.00 -0.62 0.00 0.00 57.03 56.59 1x4a h ASP 73 Cb 1.75 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 41.17 1x4a h ASP 73 CO -0.17 1.23 0.86 0.00 -3.12 0.00 0.00 179.24 178.05 1x4a h ALA 74 N -0.24 2.82 0.15 3.45 0.00 0.38 0.69 119.26 126.50 1x4a h ALA 74 Ca -0.17 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 1x4a h ALA 74 Cb 1.14 0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.06 1x4a h ALA 74 CO -0.10 -1.30 -0.96 0.93 0.00 0.00 0.00 179.25 177.82 1x4a h GLU 75 N 0.14 0.31 -0.49 0.00 5.08 -0.78 -2.89 114.58 115.95 1x4a h GLU 75 Ca 0.69 -0.53 0.11 0.00 -1.00 0.00 0.00 59.36 58.64 1x4a h GLU 75 Cb 2.30 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 31.73 1x4a h GLU 75 CO -0.22 1.25 0.34 -0.44 -1.00 0.00 0.00 179.01 178.94 1x4a h ASP 76 N -0.33 0.15 0.29 1.42 5.19 0.54 1.29 116.42 124.98 1x4a h ASP 76 Ca -0.18 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.22 1x4a h ASP 76 Cb 1.70 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 41.19 1x4a h ASP 76 CO 0.15 0.09 -0.14 0.00 -3.12 0.00 0.00 179.24 176.22 1x4a h ALA 77 N 1.76 -0.54 -0.66 3.45 0.00 -0.34 -3.16 119.26 119.76 1x4a h ALA 77 Ca 0.23 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.17 1x4a h ALA 77 Cb 0.68 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1x4a h ALA 77 CO -0.04 -0.51 0.45 -0.24 0.00 0.00 0.00 179.25 178.91 1x4a h VAL 78 N -0.77 0.85 0.00 0.00 3.04 -1.23 0.89 116.25 119.02 1x4a h VAL 78 Ca -0.04 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1x4a h VAL 78 Cb 0.30 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.00 1x4a h VAL 78 CO 0.07 0.07 0.09 1.88 -1.01 0.00 0.00 177.57 178.67 1x4a h TYR 79 N 0.40 0.00 0.00 3.17 -1.99 0.16 -1.96 116.97 116.75 1x4a h TYR 79 Ca 0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.05 1x4a h TYR 79 Cb 0.69 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.42 1x4a h TYR 79 CO -0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1x4a n GLY 80 N -1.18 0.02 0.66 3.88 0.00 0.14 -4.72 105.19 103.99 1x4a n GLY 80 Ca -0.02 0.00 0.50 0.00 0.00 0.00 0.00 46.02 46.50 1x4a n GLY 80 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x4a h ARG 81 N 0.00 0.00 -5.56 1.61 2.47 0.42 -3.33 114.38 109.99 1x4a h ARG 81 Ca 0.00 -0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.48 1x4a h ARG 81 Cb 0.00 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1x4a h ARG 81 CO 0.00 0.00 0.74 0.34 0.56 0.00 0.00 179.97 181.61 1x4a s ASP 82 N -3.97 4.41 0.00 7.04 2.15 -0.74 -0.30 116.67 125.25 1x4a s ASP 82 Ca -0.06 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.16 1x4a s ASP 82 Cb 0.28 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1x4a s ASP 82 CO 0.88 -3.25 0.00 0.61 -0.17 0.00 0.00 175.17 173.25 1x4a n GLY 83 N 6.48 1.70 3.85 2.66 0.00 -1.07 -4.85 105.19 113.96 1x4a n GLY 83 Ca 0.40 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 3.43 -0.27 1.61 5.04 0.58 -4.81 117.35 120.94 1x4a s TYR 84 Ca 0.00 1.31 -0.02 0.00 -2.44 0.00 0.00 57.07 55.93 1x4a s TYR 84 Cb 0.00 -2.65 0.04 0.00 0.35 0.00 0.00 41.96 39.69 1x4a s TYR 84 CO 0.00 -0.20 -0.04 0.34 -1.34 0.00 0.00 175.55 174.31 1x4a s ASP 85 N -2.91 4.55 -0.10 4.32 -1.08 -1.26 0.25 116.67 120.44 1x4a s ASP 85 Ca 0.56 -1.04 0.03 0.00 -0.52 0.00 0.00 52.55 51.58 1x4a s ASP 85 Cb -0.10 -1.68 0.00 0.00 -1.46 0.00 0.00 42.92 39.68 1x4a s ASP 85 CO 0.28 -0.18 -0.21 -0.47 0.52 0.00 0.00 175.17 175.10 1x4a s TYR 86 N 1.29 2.40 -1.97 -5.34 6.14 0.12 -4.60 117.35 115.39 1x4a s TYR 86 Ca -0.02 -1.04 0.00 0.00 0.64 0.00 0.00 57.07 56.65 1x4a s TYR 86 Cb -0.18 -1.63 0.00 0.00 0.42 0.00 0.00 41.96 40.57 1x4a s TYR 86 CO -0.03 -0.45 0.00 -3.47 0.64 0.00 0.00 175.55 172.24 1x4a n ASP 87 N 3.72 -5.30 0.00 4.32 2.03 -1.26 -0.37 116.55 119.70 1x4a n ASP 87 Ca -0.20 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1x4a n ASP 87 Cb 0.52 -4.45 0.00 0.00 -0.72 0.00 0.00 41.12 36.47 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 -0.69 2.61 3.79 0.27 0.00 -1.26 -5.02 105.19 104.89 1x4a n GLY 88 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.18 3.73 0.30 1.61 2.02 0.51 -5.03 117.35 118.31 1x4a s TYR 89 Ca 0.00 1.17 -0.27 0.00 -0.37 0.00 0.00 57.07 57.60 1x4a s TYR 89 Cb 0.00 -2.51 -0.10 0.00 -0.40 0.00 0.00 41.96 38.95 1x4a s TYR 89 CO 0.00 0.48 0.95 -0.98 -1.57 0.00 0.00 175.55 174.43 1x4a s ARG 90 N -0.63 4.64 0.07 -0.62 3.03 -1.26 0.14 118.95 124.32 1x4a s ARG 90 Ca 0.29 1.40 0.06 0.00 2.03 0.00 0.00 55.73 59.51 1x4a s ARG 90 Cb -0.18 -2.94 -0.04 0.00 -1.03 0.00 0.00 34.95 30.76 1x4a s ARG 90 CO 0.17 0.33 -0.10 -0.51 -1.13 0.00 0.00 175.30 174.05 1x4a s LEU 91 N -1.82 3.00 -0.34 -1.89 1.43 0.14 -4.50 118.68 114.71 1x4a s LEU 91 Ca 0.48 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1x4a s LEU 91 Cb -0.21 -1.79 0.10 0.00 0.03 0.00 0.00 46.19 44.32 1x4a s LEU 91 CO 0.27 0.21 0.06 -0.60 0.23 0.00 0.00 176.35 176.52 1x4a s ARG 92 N -1.93 1.42 -0.20 1.70 3.52 0.25 -2.59 118.95 121.12 1x4a s ARG 92 Ca 0.19 -1.82 -0.13 0.00 -0.13 0.00 0.00 55.73 53.84 1x4a s ARG 92 Cb -0.11 -3.08 -0.05 0.00 -1.56 0.00 0.00 34.95 30.15 1x4a s ARG 92 CO 0.11 -0.95 0.28 0.08 -0.81 0.00 0.00 175.30 174.01 1x4a s VAL 93 N 0.93 5.29 0.03 7.11 1.01 -1.26 -0.25 120.40 133.25 1x4a s VAL 93 Ca 0.11 0.47 -0.28 0.00 0.00 0.00 0.00 61.98 62.28 1x4a s VAL 93 Cb -0.19 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.65 1x4a s VAL 93 CO -0.09 0.33 0.65 -1.83 0.00 0.00 0.00 175.10 174.16 1x4a s GLU 94 N 0.94 1.14 0.48 2.72 -1.05 -0.26 -4.54 118.70 118.14 1x4a s GLU 94 Ca 0.14 -0.02 -0.20 0.00 -0.15 0.00 0.00 54.97 54.74 1x4a s GLU 94 Cb -0.14 0.53 -0.09 0.00 -0.44 0.00 0.00 34.13 34.00 1x4a s GLU 94 CO 0.05 -0.42 1.02 -0.06 0.95 0.00 0.00 175.26 176.80 1x4a s PHE 95 N -2.15 3.07 0.47 4.83 0.08 -1.26 -1.02 117.98 121.99 1x4a s PHE 95 Ca -0.06 1.58 -0.21 0.00 0.12 0.00 0.00 56.93 58.35 1x4a s PHE 95 Cb -0.00 -3.02 -0.09 0.00 -0.57 0.00 0.00 43.02 39.34 1x4a s PHE 95 CO 0.01 -0.69 1.04 -1.25 -0.10 0.00 0.00 175.22 174.23 1x4a s PRO 96 N -3.28 3.87 0.58 0.24 0.04 -1.26 -4.86 135.00 130.34 1x4a s PRO 96 Ca 0.66 1.39 -0.20 0.00 0.04 0.00 0.00 61.00 62.89 1x4a s PRO 96 Cb -0.15 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1x4a s PRO 96 CO 0.19 -0.37 1.26 2.89 0.04 0.00 0.00 177.00 181.02 1x4a n ARG 97 N -0.78 1.39 0.08 4.56 1.85 -1.26 -4.85 116.66 117.64 1x4a n ARG 97 Ca 0.08 0.52 0.00 0.00 -1.00 0.00 0.00 57.85 57.45 1x4a n ARG 97 Cb 0.52 -2.48 0.00 0.00 -1.05 0.00 0.00 32.46 29.45 1x4a n ARG 97 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1x4a n SER 98 N -1.16 -1.42 0.00 2.89 2.88 -1.26 -5.18 113.62 110.37 1x4a n SER 98 Ca 0.12 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1x4a n SER 98 Cb 0.46 1.63 0.00 0.00 -0.75 0.00 0.00 64.21 65.55 1x4a n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4a n GLY 99 N -1.35 0.57 3.96 0.46 0.00 -1.26 -5.09 105.19 102.49 1x4a n GLY 99 Ca 0.00 -2.15 -0.22 0.00 0.00 0.00 0.00 46.02 43.65 1x4a n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4a s ARG 100 N -0.77 3.01 0.00 1.61 0.52 -1.26 -5.03 118.95 117.04 1x4a s ARG 100 Ca 0.00 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.57 1x4a s ARG 100 Cb 0.00 -2.61 0.00 0.00 0.52 0.00 0.00 34.95 32.86 1x4a s ARG 100 CO 0.00 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.47 1x4a n GLY 101 N -2.02 0.36 2.56 -3.53 0.00 -1.26 -5.14 105.19 96.16 1x4a n GLY 101 Ca 0.02 0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1x4a n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4a s THR 102 N 0.00 -0.07 0.48 2.61 2.01 -1.26 -5.14 115.64 114.27 1x4a s THR 102 Ca 0.00 -1.02 0.08 0.00 0.31 0.00 0.00 61.69 61.06 1x4a s THR 102 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1x4a s THR 102 CO 0.00 -0.76 0.52 -0.83 -0.69 0.00 0.00 174.62 172.85 1x4a s GLY 103 N 1.79 2.05 -0.11 4.40 0.00 -1.26 -5.13 107.32 109.06 1x4a s GLY 103 Ca 0.12 -1.78 -0.33 0.00 0.00 0.00 0.00 44.72 42.72 1x4a s GLY 103 CO -0.23 -1.70 1.43 -0.56 0.00 0.00 0.00 173.10 172.04 1x4a s SER 104 N -4.33 -0.00 0.41 1.64 0.01 -1.26 -5.19 113.70 104.98 1x4a s SER 104 Ca 0.50 -0.01 0.06 0.00 1.31 0.00 0.00 55.95 57.81 1x4a s SER 104 Cb -0.05 0.01 -0.07 0.00 0.21 0.00 0.00 66.02 66.12 1x4a s SER 104 CO 0.30 -0.02 0.02 -0.83 0.41 0.00 0.00 173.24 173.12 1x4a s GLY 105 N -2.91 2.53 -0.08 3.44 0.00 -1.26 -5.07 107.32 103.97 1x4a s GLY 105 Ca 0.15 -2.03 -0.26 0.00 0.00 0.00 0.00 44.72 42.58 1x4a s GLY 105 CO -0.06 -2.08 0.97 -0.56 0.00 0.00 0.00 173.10 171.37 1x4a h PRO 106 N 1.76 -0.03 0.00 2.90 0.13 -2.09 -3.48 132.00 131.19 1x4a h PRO 106 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1x4a h PRO 106 Cb 1.25 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1x4a h PRO 106 CO 0.79 0.68 0.00 0.45 -0.23 0.00 0.00 178.00 179.68 1x4a n SER 107 N -4.75 -0.19 -2.56 1.44 2.88 -1.26 -5.11 113.62 104.07 1x4a n SER 107 Ca -0.09 0.42 -0.01 0.00 -1.33 0.00 0.00 58.87 57.86 1x4a n SER 107 Cb 0.35 0.56 -0.01 0.00 -0.75 0.00 0.00 64.21 64.36 1x4a n SER 107 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4a n SER 108 N -2.83 -5.79 0.00 -3.46 2.88 -1.26 -5.31 113.62 97.86 1x4a n SER 108 Ca 0.00 1.27 0.04 0.00 -1.33 0.00 0.00 58.87 58.85 1x4a n SER 108 Cb 0.00 -4.88 0.24 0.00 -0.75 0.00 0.00 64.21 58.81 1x4a n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42