#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 3.93 -0.26 1.61 0.01 -1.26 -5.13 113.70 112.60 1x4a s SER 2 Ca 0.00 -0.61 -0.19 0.00 1.31 0.00 0.00 55.95 56.45 1x4a s SER 2 Cb 0.00 -0.55 0.07 0.00 0.21 0.00 0.00 66.02 65.75 1x4a s SER 2 CO 0.00 0.15 0.66 -0.44 0.41 0.00 0.00 173.24 174.02 1x4a s SER 3 N -2.44 -0.78 0.00 2.44 0.01 -1.26 -5.03 113.70 106.64 1x4a s SER 3 Ca 0.20 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.85 1x4a s SER 3 Cb -0.10 1.33 0.00 0.00 0.21 0.00 0.00 66.02 67.47 1x4a s SER 3 CO 0.12 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1x4a n GLY 4 N 3.44 0.36 1.22 3.44 0.00 -1.26 -5.13 105.19 107.27 1x4a n GLY 4 Ca -0.17 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1x4a n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4a n SER 5 N 0.00 -6.83 -4.64 1.61 7.64 -1.26 -4.83 113.62 105.31 1x4a n SER 5 Ca 0.00 1.00 -0.42 0.00 1.01 0.00 0.00 58.87 60.46 1x4a n SER 5 Cb 0.00 -3.48 -0.04 0.00 -1.01 0.00 0.00 64.21 59.67 1x4a n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4a s SER 6 N -3.24 6.84 -0.49 6.43 0.15 -1.26 -5.00 113.70 117.13 1x4a s SER 6 Ca 0.00 1.05 0.03 0.00 0.70 0.00 0.00 55.95 57.73 1x4a s SER 6 Cb 0.00 -2.44 0.13 0.00 -1.71 0.00 0.00 66.02 62.00 1x4a s SER 6 CO 0.00 -0.52 0.24 -0.83 1.20 0.00 0.00 173.24 173.33 1x4a s GLY 7 N 1.33 2.20 0.78 9.45 0.00 -1.26 -5.10 107.32 114.72 1x4a s GLY 7 Ca 0.35 -3.04 -0.15 0.00 0.00 0.00 0.00 44.72 41.88 1x4a s GLY 7 CO 0.07 1.16 0.53 1.15 0.00 0.00 0.00 173.10 176.01 1x4a n MET 8 N 3.30 0.17 -3.64 2.90 -0.00 -1.26 -5.02 117.12 113.57 1x4a n MET 8 Ca 0.06 0.10 -0.10 0.00 -0.00 0.00 0.00 57.70 57.76 1x4a n MET 8 Cb 0.33 -1.87 -0.07 0.00 -0.00 0.00 0.00 33.22 31.62 1x4a n MET 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1x4a s SER 9 N -1.62 -0.52 0.92 3.17 0.15 -1.26 -5.17 113.70 109.37 1x4a s SER 9 Ca 0.64 1.01 0.00 0.00 0.70 0.00 0.00 55.95 58.29 1x4a s SER 9 Cb -0.31 1.02 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 1x4a s SER 9 CO 0.60 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.47 1x4a n GLY 10 N 2.34 -2.93 2.97 9.45 0.00 -1.26 -5.08 105.19 110.68 1x4a n GLY 10 Ca -0.13 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.20 0.27 0.00 -0.02 0.00 -1.26 -5.08 107.32 99.03 1x4a s GLY 11 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.33 1x4a s GLY 11 CO 0.00 -0.41 0.00 0.61 0.00 0.00 0.00 173.10 173.30 1x4a n GLY 12 N 2.32 -0.24 3.22 0.20 0.00 -1.26 -5.11 105.19 104.32 1x4a n GLY 12 Ca -0.17 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 1x4a n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4a s VAL 13 N -0.36 -0.02 0.00 1.61 0.11 -1.26 -5.12 120.40 115.35 1x4a s VAL 13 Ca 0.00 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1x4a s VAL 13 Cb 0.00 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 1x4a s VAL 13 CO 0.00 0.04 0.00 2.30 -3.33 0.00 0.00 175.10 174.11 1x4a n ILE 14 N 3.96 0.00 -1.65 7.04 -5.35 -1.26 -4.45 119.36 117.65 1x4a n ILE 14 Ca -0.22 0.00 -0.59 0.00 -0.27 0.00 0.00 62.75 61.68 1x4a n ILE 14 Cb 0.55 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.38 1x4a n ILE 14 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 1x4a n ARG 15 N -0.08 0.70 -1.36 6.28 1.85 -1.26 -4.89 116.66 117.90 1x4a n ARG 15 Ca 0.00 0.25 -0.32 0.00 -1.00 0.00 0.00 57.85 56.78 1x4a n ARG 15 Cb 0.00 -1.85 0.09 0.00 -1.05 0.00 0.00 32.46 29.64 1x4a n ARG 15 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1x4a s GLY 16 N 2.05 1.92 1.00 2.89 0.00 -1.26 -5.03 107.32 108.89 1x4a s GLY 16 Ca 0.95 0.48 -0.15 0.00 0.00 0.00 0.00 44.72 46.00 1x4a s GLY 16 CO 0.63 0.85 1.18 2.56 0.00 0.00 0.00 173.10 178.32 1x4a s PRO 17 N -4.48 0.38 0.29 2.90 0.04 -1.26 -5.02 135.00 127.84 1x4a s PRO 17 Ca 0.65 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1x4a s PRO 17 Cb -0.21 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1x4a s PRO 17 CO 0.50 -2.66 0.00 0.00 0.04 0.00 0.00 177.00 174.88 1x4a n ALA 18 N -4.03 2.61 0.00 8.56 0.00 -1.26 -5.11 120.51 121.27 1x4a n ALA 18 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1x4a n ALA 18 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1x4a n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4a n GLY 19 N 1.11 0.49 1.17 0.00 0.00 -1.26 -5.10 105.19 101.59 1x4a n GLY 19 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1x4a n GLY 19 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x4a n ASN 20 N 0.00 0.35 0.11 1.61 2.85 -1.26 -5.04 115.26 113.88 1x4a n ASN 20 Ca 0.00 0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 1x4a n ASN 20 Cb 0.00 -0.08 0.00 0.00 1.24 0.00 0.00 39.78 40.94 1x4a n ASN 20 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1x4a n ASN 21 N -3.14 -1.13 -2.46 1.20 3.02 -1.26 -5.13 115.26 106.36 1x4a n ASN 21 Ca 0.00 0.40 -0.05 0.00 -0.03 0.00 0.00 54.58 54.90 1x4a n ASN 21 Cb 0.26 1.22 -0.04 0.00 -0.61 0.00 0.00 39.78 40.61 1x4a n ASN 21 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1x4a n ASP 22 N -3.08 -0.70 -1.57 6.41 8.00 -1.26 -4.73 116.55 119.62 1x4a n ASP 22 Ca 0.00 1.18 -0.04 0.00 0.71 0.00 0.00 54.79 56.65 1x4a n ASP 22 Cb 0.00 -4.75 0.09 0.00 -0.02 0.00 0.00 41.12 36.44 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 -2.75 3.04 0.22 0.00 0.52 -1.26 -0.13 118.95 118.59 1x4a s ARG 24 Ca 0.39 -0.85 0.08 0.00 -0.52 0.00 0.00 55.73 54.84 1x4a s ARG 24 Cb 0.38 -2.44 -0.05 0.00 0.52 0.00 0.00 34.95 33.36 1x4a s ARG 24 CO -0.06 0.02 -0.15 0.96 0.02 0.00 0.00 175.30 176.09 1x4a s ILE 25 N 0.75 1.88 -0.11 1.52 -4.36 -0.18 -4.60 121.20 116.10 1x4a s ILE 25 Ca -0.08 -2.24 0.04 0.00 -0.26 0.00 0.00 60.65 58.10 1x4a s ILE 25 Cb -0.16 -2.12 0.00 0.00 1.25 0.00 0.00 42.46 41.43 1x4a s ILE 25 CO -0.00 -0.54 -0.23 -0.47 0.24 0.00 0.00 174.94 173.94 1x4a s TYR 26 N -2.89 2.57 -0.26 1.37 5.04 -0.97 -1.04 117.35 121.17 1x4a s TYR 26 Ca 0.24 -1.11 -0.06 0.00 -2.44 0.00 0.00 57.07 53.70 1x4a s TYR 26 Cb -0.01 -1.72 -0.01 0.00 0.35 0.00 0.00 41.96 40.57 1x4a s TYR 26 CO 0.09 -0.47 0.04 0.08 -1.34 0.00 0.00 175.55 173.96 1x4a s VAL 27 N 0.47 3.90 0.53 3.14 1.01 -0.55 -1.33 120.40 127.57 1x4a s VAL 27 Ca -0.16 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.37 1x4a s VAL 27 Cb -0.17 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.32 1x4a s VAL 27 CO 0.06 0.24 0.25 -0.83 0.00 0.00 0.00 175.10 174.82 1x4a s GLY 28 N 1.53 2.62 -0.65 4.51 0.00 0.74 -2.96 107.32 113.11 1x4a s GLY 28 Ca 0.04 -0.93 -0.09 0.00 0.00 0.00 0.00 44.72 43.74 1x4a s GLY 28 CO 0.01 -2.04 0.65 -2.01 0.00 0.00 0.00 173.10 169.71 1x4a n ASN 29 N -1.57 -6.78 -4.54 1.64 2.85 -1.26 -0.51 115.26 105.08 1x4a n ASN 29 Ca -0.08 -0.17 -0.24 0.00 -0.11 0.00 0.00 54.58 53.98 1x4a n ASN 29 Cb 0.65 -3.91 -0.09 0.00 1.24 0.00 0.00 39.78 37.67 1x4a n ASN 29 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1x4a s LEU 30 N -3.70 2.85 0.85 1.20 1.43 -1.25 -3.72 118.68 116.33 1x4a s LEU 30 Ca 0.11 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.23 1x4a s LEU 30 Cb -0.02 -1.37 0.10 0.00 0.03 0.00 0.00 46.19 44.93 1x4a s LEU 30 CO 0.81 0.03 1.11 -2.16 0.23 0.00 0.00 176.35 176.37 1x4a s PRO 31 N -3.56 1.67 0.23 1.29 0.04 -1.26 -4.38 135.00 129.04 1x4a s PRO 31 Ca 0.30 0.48 0.10 0.00 0.04 0.00 0.00 61.00 61.93 1x4a s PRO 31 Cb -0.06 -1.88 0.20 0.00 0.04 0.00 0.00 34.50 32.80 1x4a s PRO 31 CO 0.17 -1.87 1.51 -1.00 0.04 0.00 0.00 177.00 175.85 1x4a h PRO 32 N -1.27 0.00 -1.80 0.56 0.13 -2.00 -3.22 132.00 124.40 1x4a h PRO 32 Ca -0.49 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.92 1x4a h PRO 32 Cb 1.30 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.12 1x4a h PRO 32 CO 0.60 0.71 0.62 -3.47 -0.23 0.00 0.00 178.00 176.24 1x4a n ASP 33 N -3.61 6.88 -4.94 1.44 2.03 -1.26 -4.99 116.55 112.10 1x4a n ASP 33 Ca -0.01 -3.81 -0.26 0.00 0.52 0.00 0.00 54.79 51.24 1x4a n ASP 33 Cb 0.71 -0.92 -0.03 0.00 -0.72 0.00 0.00 41.12 40.17 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 -5.15 5.19 0.02 5.18 1.10 -1.22 -5.11 121.20 121.21 1x4a s ILE 34 Ca 0.52 -0.49 0.04 0.00 -0.51 0.00 0.00 60.65 60.20 1x4a s ILE 34 Cb 0.44 -3.78 -0.01 0.00 0.15 0.00 0.00 42.46 39.25 1x4a s ILE 34 CO -0.33 -0.28 -0.12 -0.13 -2.11 0.00 0.00 174.94 171.97 1x4a s ARG 35 N -3.64 0.85 0.25 3.50 0.52 -1.26 -5.03 118.95 114.13 1x4a s ARG 35 Ca 0.38 -0.56 -0.04 0.00 -0.52 0.00 0.00 55.73 54.99 1x4a s ARG 35 Cb -0.10 -0.82 0.40 0.00 0.52 0.00 0.00 34.95 34.95 1x4a s ARG 35 CO 0.30 0.21 1.81 1.15 0.02 0.00 0.00 175.30 178.80 1x4a h THR 36 N 4.70 0.92 0.36 0.02 2.02 -1.99 0.52 112.91 119.45 1x4a h THR 36 Ca -0.34 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 1x4a h THR 36 Cb 1.18 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1x4a h THR 36 CO 0.46 0.15 -0.17 0.50 0.37 0.00 0.00 175.52 176.83 1x4a h LYS 37 N 0.80 -0.46 -0.91 6.66 1.63 -1.98 0.76 116.57 123.07 1x4a h LYS 37 Ca 0.40 0.03 0.21 0.00 -0.85 0.00 0.00 60.65 60.44 1x4a h LYS 37 Cb 0.36 0.10 -0.12 0.00 -0.60 0.00 0.00 32.23 31.97 1x4a h LYS 37 CO -0.24 -0.21 0.44 -0.44 -3.45 0.00 0.00 179.45 175.55 1x4a h ASP 38 N -0.65 0.45 0.60 4.20 5.19 -1.82 1.52 116.42 125.92 1x4a h ASP 38 Ca -0.05 0.14 -0.08 0.00 -0.62 0.00 0.00 57.03 56.42 1x4a h ASP 38 Cb 0.46 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1x4a h ASP 38 CO 0.08 0.07 -0.36 0.40 -3.12 0.00 0.00 179.24 176.31 1x4a h ILE 39 N 0.49 1.01 0.17 0.35 2.04 -0.58 -2.47 117.51 118.53 1x4a h ILE 39 Ca 0.55 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 1x4a h ILE 39 Cb 0.99 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1x4a h ILE 39 CO -0.48 0.35 -0.08 -0.08 0.00 0.00 0.00 178.15 177.86 1x4a h GLU 40 N 0.00 -0.22 -0.88 2.37 4.81 0.44 -3.10 114.58 118.00 1x4a h GLU 40 Ca -0.00 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.43 1x4a h GLU 40 Cb 0.76 0.05 -0.17 0.00 0.63 0.00 0.00 28.75 30.02 1x4a h GLU 40 CO 0.05 -0.15 -0.18 0.22 -0.73 0.00 0.00 179.01 178.22 1x4a h ASP 41 N -0.55 -0.75 -0.28 1.04 3.58 -0.38 1.50 116.42 120.56 1x4a h ASP 41 Ca -0.02 0.26 0.03 0.00 0.42 0.00 0.00 57.03 57.71 1x4a h ASP 41 Cb 0.18 0.53 -0.04 0.00 1.72 0.00 0.00 39.33 41.71 1x4a h ASP 41 CO 0.04 -0.29 -0.25 0.58 -2.88 0.00 0.00 179.24 176.44 1x4a h VAL 42 N 0.01 0.00 -0.11 2.25 2.07 -1.53 0.14 116.25 119.07 1x4a h VAL 42 Ca 0.44 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.90 1x4a h VAL 42 Cb 0.70 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1x4a h VAL 42 CO -0.89 0.00 -0.19 -0.26 0.02 0.00 0.00 177.57 176.25 1x4a h PHE 43 N -0.10 0.20 0.00 1.57 -1.00 -0.85 -2.14 116.94 114.62 1x4a h PHE 43 Ca 0.05 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1x4a h PHE 43 Cb 0.22 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1x4a h PHE 43 CO -0.78 0.38 0.31 -0.92 -1.61 0.00 0.00 178.31 175.68 1x4a h TYR 44 N 0.18 0.00 0.00 -0.55 5.03 0.48 0.19 116.97 122.29 1x4a h TYR 44 Ca 0.03 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1x4a h TYR 44 Cb 0.45 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.73 1x4a h TYR 44 CO 0.01 0.00 0.18 1.57 -1.32 0.00 0.00 178.16 178.60 1x4a h LYS 45 N 0.00 0.00 0.00 1.82 5.09 -0.59 -2.52 116.57 120.36 1x4a h LYS 45 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 60.56 1x4a h LYS 45 Cb 0.62 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.92 1x4a h LYS 45 CO 0.00 0.00 -1.45 0.66 -2.09 0.00 0.00 179.45 176.57 1x4a n TYR 46 N -2.78 0.32 0.00 0.07 4.01 0.67 -5.10 117.16 114.34 1x4a n TYR 46 Ca -0.02 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1x4a n TYR 46 Cb 0.23 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.46 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 1.42 4.34 3.30 2.72 0.00 -0.95 -5.10 105.19 110.91 1x4a n GLY 47 Ca -0.28 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 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 1.96 0.04 4.61 0.00 -1.26 -4.33 121.76 121.36 1x4a s ALA 48 Ca 0.00 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 50.66 1x4a s ALA 48 Cb 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 1x4a s ALA 48 CO 0.00 0.43 0.30 0.42 0.00 0.00 0.00 175.76 176.91 1x4a s ILE 49 N -0.98 5.25 0.00 0.00 1.01 -1.26 -3.11 121.20 122.11 1x4a s ILE 49 Ca 0.09 0.17 0.11 0.00 0.00 0.00 0.00 60.65 61.02 1x4a s ILE 49 Cb -0.10 -3.59 -0.22 0.00 0.01 0.00 0.00 42.46 38.56 1x4a s ILE 49 CO 0.03 0.29 0.84 -0.09 0.00 0.00 0.00 174.94 176.01 1x4a h ARG 50 N 3.72 0.00 0.00 2.79 2.43 0.17 -3.47 114.38 120.02 1x4a h ARG 50 Ca -0.49 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1x4a h ARG 50 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1x4a h ARG 50 CO 0.68 0.64 0.00 -3.47 -1.51 0.00 0.00 179.97 176.30 1x4a n ASP 51 N -3.13 0.00 -3.96 -3.80 2.03 -1.20 -5.00 116.55 101.49 1x4a n ASP 51 Ca -0.12 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.01 1x4a n ASP 51 Cb 1.02 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 41.27 1x4a n ASP 51 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1x4a s ILE 52 N -2.00 0.56 -0.38 5.18 1.01 -1.26 -1.37 121.20 122.93 1x4a s ILE 52 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 1x4a s ILE 52 Cb 0.00 -0.51 0.10 0.00 0.01 0.00 0.00 42.46 42.06 1x4a s ILE 52 CO 0.00 0.18 0.14 -1.81 0.00 0.00 0.00 174.94 173.45 1x4a s ASP 53 N 0.21 5.09 -0.30 3.58 1.11 -0.33 -4.95 116.67 121.08 1x4a s ASP 53 Ca -0.02 -1.99 -0.15 0.00 0.18 0.00 0.00 52.55 50.57 1x4a s ASP 53 Cb -0.07 -1.76 -0.03 0.00 1.07 0.00 0.00 42.92 42.13 1x4a s ASP 53 CO -0.00 -0.47 0.39 -0.22 1.18 0.00 0.00 175.17 176.05 1x4a s LEU 54 N 1.09 4.17 0.00 1.23 0.20 -1.26 -1.04 118.68 123.07 1x4a s LEU 54 Ca 0.07 0.13 0.00 0.00 0.69 0.00 0.00 54.13 55.03 1x4a s LEU 54 Cb -0.21 -2.43 0.00 0.00 -0.43 0.00 0.00 46.19 43.12 1x4a s LEU 54 CO -0.05 -0.26 0.00 0.29 -0.29 0.00 0.00 176.35 176.04 1x4a n LYS 55 N 5.40 0.00 -2.44 1.98 4.76 -0.43 -5.00 118.16 122.43 1x4a n LYS 55 Ca -0.08 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.32 1x4a n LYS 55 Cb 0.50 -0.03 -0.03 0.00 -1.84 0.00 0.00 35.03 33.63 1x4a n LYS 55 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1x4a n ASN 56 N -0.05 -1.93 0.00 4.39 2.85 -1.25 -4.97 115.26 114.30 1x4a n ASN 56 Ca 0.00 1.15 0.00 0.00 -0.11 0.00 0.00 54.58 55.62 1x4a n ASN 56 Cb 0.00 -4.61 0.00 0.00 1.24 0.00 0.00 39.78 36.41 1x4a n ASN 56 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1x4a n ARG 57 N 1.25 0.00 -1.49 1.20 0.63 -1.26 -5.06 116.66 111.93 1x4a n ARG 57 Ca -0.29 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 56.75 1x4a n ARG 57 Cb 0.44 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.29 1x4a n ARG 57 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1x4a n ARG 58 N 0.00 -3.65 -0.26 -0.14 1.74 -1.26 -4.99 116.66 108.09 1x4a n ARG 58 Ca 0.00 2.93 0.00 0.00 -0.77 0.00 0.00 57.85 60.01 1x4a n ARG 58 Cb 0.00 -3.96 0.00 0.00 -1.02 0.00 0.00 32.46 27.48 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 -3.70 0.63 2.18 -0.13 0.00 -1.26 -4.98 105.19 97.93 1x4a n GLY 59 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.11 -0.92 3.78 -0.02 0.00 -1.26 -4.97 105.19 101.68 1x4a n GLY 60 Ca 0.00 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 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 0.51 -0.02 1.61 0.04 -1.26 -4.94 135.00 130.94 1x4a s PRO 61 Ca 0.00 0.05 -0.30 0.00 0.04 0.00 0.00 61.00 60.79 1x4a s PRO 61 Cb 0.00 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1x4a s PRO 61 CO 0.00 -2.57 1.21 -1.25 0.04 0.00 0.00 177.00 174.42 1x4a s PRO 62 N -5.45 4.37 0.20 0.56 0.04 -1.26 -4.87 135.00 128.59 1x4a s PRO 62 Ca 0.68 1.71 0.11 0.00 0.04 0.00 0.00 61.00 63.54 1x4a s PRO 62 Cb -0.11 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 1x4a s PRO 62 CO 0.54 -0.39 -0.23 -0.59 0.04 0.00 0.00 177.00 176.36 1x4a s PHE 63 N 1.90 2.30 0.12 0.56 -0.71 -1.26 -3.86 117.98 117.03 1x4a s PHE 63 Ca 0.57 -0.35 -0.23 0.00 -1.04 0.00 0.00 56.93 55.88 1x4a s PHE 63 Cb -0.26 -1.12 0.06 0.00 -1.21 0.00 0.00 43.02 40.49 1x4a s PHE 63 CO 0.24 0.53 0.57 0.00 -1.34 0.00 0.00 175.22 175.22 1x4a s ALA 64 N -1.77 -1.50 0.10 1.99 0.00 -1.15 -1.31 121.76 118.12 1x4a s ALA 64 Ca 0.22 0.53 0.07 0.00 0.00 0.00 0.00 51.96 52.77 1x4a s ALA 64 Cb -0.08 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 1x4a s ALA 64 CO 0.10 -0.68 -0.09 -0.06 0.00 0.00 0.00 175.76 175.03 1x4a s PHE 65 N -3.32 2.76 -0.09 0.00 0.40 -0.20 -1.48 117.98 116.05 1x4a s PHE 65 Ca -0.01 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.21 1x4a s PHE 65 Cb -0.00 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 42.09 1x4a s PHE 65 CO -0.09 0.43 -0.19 0.08 0.70 0.00 0.00 175.22 176.15 1x4a s VAL 66 N -1.22 1.71 -0.42 -0.44 1.01 -0.21 -1.19 120.40 119.64 1x4a s VAL 66 Ca 0.22 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 1x4a s VAL 66 Cb -0.11 -1.50 0.10 0.00 0.00 0.00 0.00 36.38 34.87 1x4a s VAL 66 CO 0.14 0.48 0.25 -0.70 0.00 0.00 0.00 175.10 175.27 1x4a s GLU 67 N 0.47 2.32 0.74 2.72 2.12 -0.47 -1.01 118.70 125.60 1x4a s GLU 67 Ca -0.17 -1.67 -0.11 0.00 0.36 0.00 0.00 54.97 53.37 1x4a s GLU 67 Cb -0.17 -3.71 0.04 0.00 0.26 0.00 0.00 34.13 30.55 1x4a s GLU 67 CO 0.07 -1.05 1.08 -0.06 -0.54 0.00 0.00 175.26 174.76 1x4a s PHE 68 N 1.29 2.96 -0.55 5.30 0.08 0.82 0.18 117.98 128.06 1x4a s PHE 68 Ca 0.05 1.33 0.25 0.00 0.12 0.00 0.00 56.93 58.68 1x4a s PHE 68 Cb -0.24 -2.98 0.59 0.00 -0.57 0.00 0.00 43.02 39.82 1x4a s PHE 68 CO -0.01 -1.48 1.69 0.93 -0.10 0.00 0.00 175.22 176.25 1x4a h GLU 69 N -0.89 0.00 -3.96 0.44 4.39 -1.85 -3.43 114.58 109.28 1x4a h GLU 69 Ca -0.45 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.11 1x4a h GLU 69 Cb 1.23 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.70 1x4a h GLU 69 CO 0.57 0.00 -0.62 -0.51 -1.16 0.00 0.00 179.01 177.29 1x4a s ASP 70 N -5.43 0.27 -0.08 1.42 1.11 -1.26 -5.07 116.67 107.63 1x4a s ASP 70 Ca 0.08 -0.63 -0.25 0.00 0.18 0.00 0.00 52.55 51.93 1x4a s ASP 70 Cb 0.08 0.17 -0.21 0.00 1.07 0.00 0.00 42.92 44.04 1x4a s ASP 70 CO 0.63 -0.45 0.93 1.55 1.18 0.00 0.00 175.17 179.01 1x4a h PRO 71 N 3.90 -0.04 -0.91 8.23 0.13 -1.85 -2.70 132.00 138.76 1x4a h PRO 71 Ca -0.33 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.90 1x4a h PRO 71 Cb 1.18 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1x4a h PRO 71 CO 0.51 0.62 -0.49 0.54 -0.23 0.00 0.00 178.00 178.95 1x4a n ARG 72 N -4.77 -0.35 0.47 0.86 1.74 -1.26 0.11 116.66 113.47 1x4a n ARG 72 Ca -0.09 1.38 -0.20 0.00 -0.77 0.00 0.00 57.85 58.18 1x4a n ARG 72 Cb 0.34 -2.04 -0.10 0.00 -1.02 0.00 0.00 32.46 29.64 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 -1.08 -1.43 0.55 3.32 -1.98 0.48 116.42 116.28 1x4a h ASP 73 Ca 0.19 0.04 0.45 0.00 0.02 0.00 0.00 57.03 57.73 1x4a h ASP 73 Cb 0.42 0.29 -0.11 0.00 0.22 0.00 0.00 39.33 40.15 1x4a h ASP 73 CO -0.87 -0.74 0.96 0.00 -1.72 0.00 0.00 179.24 176.87 1x4a h ALA 74 N -1.11 2.99 0.05 3.45 0.00 -0.56 1.11 119.26 125.18 1x4a h ALA 74 Ca -0.12 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1x4a h ALA 74 Cb 0.94 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1x4a h ALA 74 CO 0.18 -1.57 -0.02 0.93 0.00 0.00 0.00 179.25 178.77 1x4a h GLU 75 N 0.07 -0.07 0.00 0.00 5.08 0.18 0.66 114.58 120.51 1x4a h GLU 75 Ca 0.81 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.18 1x4a h GLU 75 Cb 2.75 0.02 0.00 0.00 0.50 0.00 0.00 28.75 32.02 1x4a h GLU 75 CO -0.29 0.39 0.19 -0.44 -1.00 0.00 0.00 179.01 177.86 1x4a h ASP 76 N -0.97 0.00 0.00 1.42 3.32 0.38 0.62 116.42 121.19 1x4a h ASP 76 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1x4a h ASP 76 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1x4a h ASP 76 CO 0.01 0.00 -0.27 0.00 -1.72 0.00 0.00 179.24 177.26 1x4a h ALA 77 N 1.61 0.00 -1.37 3.45 0.00 0.10 -2.54 119.26 120.52 1x4a h ALA 77 Ca 0.00 -0.34 0.43 0.00 0.00 0.00 0.00 54.91 54.99 1x4a h ALA 77 Cb 0.38 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.34 1x4a h ALA 77 CO 0.00 0.27 0.91 -0.24 0.00 0.00 0.00 179.25 180.20 1x4a h VAL 78 N -0.66 0.18 0.06 0.00 3.04 -0.41 1.03 116.25 119.50 1x4a h VAL 78 Ca 0.00 -0.03 -0.16 0.00 -1.01 0.00 0.00 66.70 65.50 1x4a h VAL 78 Cb 0.27 0.07 0.02 0.00 -2.01 0.00 0.00 31.29 29.64 1x4a h VAL 78 CO 0.00 0.02 -0.65 1.88 -1.01 0.00 0.00 177.57 177.80 1x4a h TYR 79 N 0.10 0.54 0.00 3.17 0.05 -1.04 -2.99 116.97 116.80 1x4a h TYR 79 Ca 0.79 -0.34 0.00 0.00 0.05 0.00 0.00 58.73 59.23 1x4a h TYR 79 Cb 2.59 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 40.29 1x4a h TYR 79 CO -0.00 1.20 0.00 0.41 -1.05 0.00 0.00 178.16 178.71 1x4a n GLY 80 N 1.33 -1.11 0.31 3.88 0.00 0.30 -3.69 105.19 106.22 1x4a n GLY 80 Ca -0.12 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.48 -0.06 -1.51 1.61 5.12 0.18 -4.20 116.66 116.31 1x4a n ARG 81 Ca 0.00 1.36 -0.34 0.00 -1.93 0.00 0.00 57.85 56.94 1x4a n ARG 81 Cb 0.00 -2.35 -0.14 0.00 -1.16 0.00 0.00 32.46 28.81 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 -5.25 0.33 0.00 0.55 2.03 -1.13 0.14 116.55 113.22 1x4a n ASP 82 Ca 0.32 -0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1x4a n ASP 82 Cb 1.09 -1.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 6.21 1.75 3.84 0.27 0.00 -0.96 -4.88 105.19 111.42 1x4a n GLY 83 Ca 0.60 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.32 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 3.09 -0.33 1.61 5.04 0.38 -4.83 117.35 120.30 1x4a s TYR 84 Ca 0.00 1.11 0.03 0.00 -2.44 0.00 0.00 57.07 55.77 1x4a s TYR 84 Cb 0.00 -3.08 0.10 0.00 0.35 0.00 0.00 41.96 39.33 1x4a s TYR 84 CO 0.00 -1.45 0.06 0.34 -1.34 0.00 0.00 175.55 173.16 1x4a s ASP 85 N -4.13 4.60 -0.76 4.32 -1.08 -1.26 -1.46 116.67 116.90 1x4a s ASP 85 Ca 0.59 -2.05 -0.16 0.00 -0.52 0.00 0.00 52.55 50.42 1x4a s ASP 85 Cb -0.13 -1.45 0.17 0.00 -1.46 0.00 0.00 42.92 40.05 1x4a s ASP 85 CO 0.53 -0.39 0.76 -0.47 0.52 0.00 0.00 175.17 176.12 1x4a s TYR 86 N 1.06 3.48 -1.46 -5.34 6.14 0.48 -4.46 117.35 117.25 1x4a s TYR 86 Ca 0.11 -1.64 -0.11 0.00 0.64 0.00 0.00 57.07 56.07 1x4a s TYR 86 Cb -0.19 -3.91 0.07 0.00 0.42 0.00 0.00 41.96 38.36 1x4a s TYR 86 CO -0.12 -1.11 0.76 -3.47 0.64 0.00 0.00 175.55 172.25 1x4a n ASP 87 N 4.88 -4.68 0.00 4.32 2.03 -1.26 -0.28 116.55 121.56 1x4a n ASP 87 Ca 0.07 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.81 1x4a n ASP 87 Cb 0.45 -3.78 0.00 0.00 -0.72 0.00 0.00 41.12 37.07 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 3.10 3.58 0.27 0.00 -1.26 -5.00 105.19 104.38 1x4a n GLY 88 Ca -0.00 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.12 1.72 0.14 1.61 2.02 0.62 -4.95 117.35 117.40 1x4a s TYR 89 Ca 0.00 0.74 -0.30 0.00 -0.37 0.00 0.00 57.07 57.13 1x4a s TYR 89 Cb 0.00 -4.08 -0.07 0.00 -0.40 0.00 0.00 41.96 37.40 1x4a s TYR 89 CO 0.00 -2.69 1.21 1.03 -1.57 0.00 0.00 175.55 173.52 1x4a s ARG 90 N 6.27 4.46 0.02 -0.62 0.52 -1.26 -0.38 118.95 127.96 1x4a s ARG 90 Ca 0.76 1.85 -0.01 0.00 -0.52 0.00 0.00 55.73 57.82 1x4a s ARG 90 Cb -0.19 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 1x4a s ARG 90 CO 0.29 -0.16 0.16 -0.51 0.02 0.00 0.00 175.30 175.10 1x4a s LEU 91 N 0.27 4.21 -0.40 2.53 1.43 -0.54 -4.61 118.68 121.58 1x4a s LEU 91 Ca 0.55 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.92 1x4a s LEU 91 Cb -0.32 -2.64 0.11 0.00 0.03 0.00 0.00 46.19 43.37 1x4a s LEU 91 CO 0.34 0.22 0.13 -0.60 0.23 0.00 0.00 176.35 176.67 1x4a s ARG 92 N -2.13 1.69 -0.13 1.70 6.06 0.33 -2.26 118.95 124.21 1x4a s ARG 92 Ca 0.29 -2.05 -0.14 0.00 -2.50 0.00 0.00 55.73 51.34 1x4a s ARG 92 Cb -0.13 -3.30 -0.05 0.00 0.06 0.00 0.00 34.95 31.54 1x4a s ARG 92 CO 0.21 -1.00 0.31 0.08 -2.50 0.00 0.00 175.30 172.40 1x4a s VAL 93 N 0.66 5.27 -0.02 7.11 1.01 -1.26 -0.18 120.40 132.99 1x4a s VAL 93 Ca 0.12 0.59 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 1x4a s VAL 93 Cb -0.21 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 32.60 1x4a s VAL 93 CO -0.06 0.43 0.68 -1.83 0.00 0.00 0.00 175.10 174.32 1x4a s GLU 94 N 0.12 1.08 0.54 2.72 -1.05 -0.44 -4.49 118.70 117.19 1x4a s GLU 94 Ca 0.18 0.14 -0.19 0.00 -0.15 0.00 0.00 54.97 54.95 1x4a s GLU 94 Cb -0.14 0.51 -0.06 0.00 -0.44 0.00 0.00 34.13 34.00 1x4a s GLU 94 CO 0.06 -0.36 1.12 -0.06 0.95 0.00 0.00 175.26 176.96 1x4a s PHE 95 N -1.59 2.71 -1.11 4.83 0.08 -1.26 -2.29 117.98 119.35 1x4a s PHE 95 Ca -0.09 1.55 -0.17 0.00 0.12 0.00 0.00 56.93 58.34 1x4a s PHE 95 Cb -0.00 -3.26 -0.07 0.00 -0.57 0.00 0.00 43.02 39.13 1x4a s PHE 95 CO 0.06 -1.49 2.13 -0.35 -0.10 0.00 0.00 175.22 175.47 1x4a n PRO 96 N -1.33 2.23 -2.75 0.24 -0.04 -1.26 -4.47 135.00 127.62 1x4a n PRO 96 Ca 0.11 -2.13 -0.02 0.00 -0.04 0.00 0.00 63.50 61.42 1x4a n PRO 96 Cb 0.51 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 1x4a n PRO 96 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1x4a n ARG 97 N 6.17 -3.22 0.37 0.54 0.63 -1.26 -4.90 116.66 114.98 1x4a n ARG 97 Ca 0.52 2.63 -0.15 0.00 -0.92 0.00 0.00 57.85 59.93 1x4a n ARG 97 Cb 0.36 -5.49 -0.08 0.00 0.45 0.00 0.00 32.46 27.71 1x4a n ARG 97 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1x4a h SER 98 N 2.78 -0.91 -0.02 6.15 0.02 -2.00 -3.50 113.55 116.06 1x4a h SER 98 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1x4a h SER 98 Cb 0.27 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1x4a h SER 98 CO 0.13 -0.60 0.00 0.61 -1.14 0.00 0.00 176.83 175.83 1x4a n GLY 99 N -1.49 1.41 3.59 -3.77 0.00 -1.26 -5.00 105.19 98.67 1x4a n GLY 99 Ca -0.12 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.60 3.80 0.49 1.61 0.52 -1.26 -5.03 118.95 115.49 1x4a s ARG 100 Ca 0.00 0.43 0.06 0.00 -0.52 0.00 0.00 55.73 55.70 1x4a s ARG 100 Cb 0.00 -3.80 0.01 0.00 0.52 0.00 0.00 34.95 31.68 1x4a s ARG 100 CO 0.00 -0.86 0.36 0.20 0.02 0.00 0.00 175.30 175.02 1x4a s GLY 101 N 1.82 2.33 -0.04 -3.53 0.00 -1.26 -5.14 107.32 101.50 1x4a s GLY 101 Ca 0.33 -1.52 -0.01 0.00 0.00 0.00 0.00 44.72 43.53 1x4a s GLY 101 CO 0.17 -1.89 0.01 -1.08 0.00 0.00 0.00 173.10 170.31 1x4a s THR 102 N -2.68 0.15 0.00 0.90 -1.32 -1.26 -5.10 115.64 106.33 1x4a s THR 102 Ca 0.38 0.18 0.00 0.00 -1.21 0.00 0.00 61.69 61.03 1x4a s THR 102 Cb -0.01 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.68 1x4a s THR 102 CO 0.23 0.18 0.00 0.61 -2.21 0.00 0.00 174.62 173.42 1x4a n GLY 103 N 4.64 0.63 3.55 6.08 0.00 -1.26 -5.18 105.19 113.65 1x4a n GLY 103 Ca -0.17 0.62 -0.26 0.00 0.00 0.00 0.00 46.02 46.22 1x4a n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4a s SER 104 N 0.00 3.46 0.00 1.61 0.15 -1.26 -5.09 113.70 112.57 1x4a s SER 104 Ca 0.00 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.34 1x4a s SER 104 Cb 0.00 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1x4a s SER 104 CO 0.00 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1x4a n GLY 105 N -0.84 -1.81 0.11 9.45 0.00 -1.26 -5.07 105.19 105.77 1x4a n GLY 105 Ca -0.05 0.79 -0.10 0.00 0.00 0.00 0.00 46.02 46.66 1x4a n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4a h PRO 106 N 0.00 -0.13 -3.39 1.61 0.13 -2.10 -3.50 132.00 124.61 1x4a h PRO 106 Ca 0.00 0.01 0.36 0.00 -0.87 0.00 0.00 66.00 65.50 1x4a h PRO 106 Cb 0.00 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 31.01 1x4a h PRO 106 CO 0.00 0.36 -0.96 0.43 -0.23 0.00 0.00 178.00 177.60 1x4a n SER 107 N -4.84 -8.47 0.12 1.44 7.64 -1.26 -4.99 113.62 103.26 1x4a n SER 107 Ca -0.07 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1x4a n SER 107 Cb 0.27 -4.73 0.00 0.00 -1.01 0.00 0.00 64.21 58.75 1x4a n SER 107 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4a n SER 108 N -4.35 -0.01 0.00 6.43 2.88 -1.26 -5.34 113.62 111.97 1x4a n SER 108 Ca -0.05 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1x4a n SER 108 Cb 0.68 0.29 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 1x4a n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42