#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4f s SER 2 N 0.00 6.35 0.02 1.61 0.01 -1.26 -5.02 113.70 115.40 1x4f s SER 2 Ca 0.00 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 56.92 1x4f s SER 2 Cb 0.00 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 1x4f s SER 2 CO 0.00 -0.87 0.06 -0.44 0.41 0.00 0.00 173.24 172.40 1x4f s SER 3 N 2.16 0.15 -0.35 2.44 0.01 -1.26 -5.12 113.70 111.74 1x4f s SER 3 Ca 0.25 -0.40 -0.06 0.00 1.31 0.00 0.00 55.95 57.05 1x4f s SER 3 Cb -0.14 0.16 0.20 0.00 0.21 0.00 0.00 66.02 66.46 1x4f s SER 3 CO 0.20 -0.37 1.04 -0.83 0.41 0.00 0.00 173.24 173.69 1x4f s GLY 4 N -1.57 -1.73 -0.30 3.44 0.00 -1.26 -5.12 107.32 100.77 1x4f s GLY 4 Ca -0.13 0.73 -0.10 0.00 0.00 0.00 0.00 44.72 45.21 1x4f s GLY 4 CO -0.01 4.24 1.02 -0.56 0.00 0.00 0.00 173.10 177.80 1x4f s SER 5 N 1.32 -0.49 0.65 1.64 0.01 -1.26 -5.16 113.70 110.40 1x4f s SER 5 Ca 0.21 0.09 -0.15 0.00 1.31 0.00 0.00 55.95 57.41 1x4f s SER 5 Cb 0.08 1.32 -0.01 0.00 0.21 0.00 0.00 66.02 67.63 1x4f s SER 5 CO -0.11 -0.09 1.09 -0.55 0.41 0.00 0.00 173.24 173.99 1x4f s SER 6 N 2.95 5.29 0.02 2.44 0.15 -1.26 -5.07 113.70 118.22 1x4f s SER 6 Ca 0.23 1.92 -0.02 0.00 0.70 0.00 0.00 55.95 58.77 1x4f s SER 6 Cb -0.03 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 1x4f s SER 6 CO -0.22 -1.51 0.03 -0.83 1.20 0.00 0.00 173.24 171.91 1x4f s GLY 7 N -2.75 0.19 -0.45 9.45 0.00 -1.26 -5.11 107.32 107.40 1x4f s GLY 7 Ca 0.65 -0.49 0.05 0.00 0.00 0.00 0.00 44.72 44.93 1x4f s GLY 7 CO 0.42 -0.59 0.50 0.54 0.00 0.00 0.00 173.10 173.97 1x4f s LYS 8 N -1.64 0.94 -0.06 2.90 1.02 -1.26 -4.96 119.74 116.68 1x4f s LYS 8 Ca -0.14 -1.57 -0.30 0.00 0.02 0.00 0.00 55.97 53.98 1x4f s LYS 8 Cb -0.08 -0.80 0.09 0.00 -0.52 0.00 0.00 37.83 36.52 1x4f s LYS 8 CO -0.01 -1.35 0.76 0.15 -0.92 0.00 0.00 175.35 173.99 1x4f s LYS 9 N 0.52 0.95 0.13 1.68 1.02 -1.25 -5.03 119.74 117.77 1x4f s LYS 9 Ca 0.30 0.14 0.19 0.00 0.02 0.00 0.00 55.97 56.62 1x4f s LYS 9 Cb 0.00 0.45 0.79 0.00 -0.52 0.00 0.00 37.83 38.55 1x4f s LYS 9 CO -0.12 -0.32 1.58 -0.35 -0.92 0.00 0.00 175.35 175.22 1x4f n PRO 10 N 0.69 0.09 0.10 -1.68 -0.04 -1.26 -3.44 135.00 129.47 1x4f n PRO 10 Ca -0.16 0.34 -0.05 0.00 -0.04 0.00 0.00 63.50 63.59 1x4f n PRO 10 Cb 0.58 -1.68 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 1x4f n PRO 10 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1x4f h GLU 11 N 0.00 -0.34 0.00 0.54 5.08 -1.91 -3.47 114.58 114.48 1x4f h GLU 11 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1x4f h GLU 11 Cb 0.30 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1x4f h GLU 11 CO 0.00 -0.23 0.00 0.41 -1.00 0.00 0.00 179.01 178.19 1x4f n GLY 12 N 0.88 1.67 2.70 -3.84 0.00 -1.22 -4.96 105.19 100.42 1x4f n GLY 12 Ca -0.04 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 1x4f n GLY 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x4f n LYS 13 N 0.00 -2.30 -2.26 1.61 5.02 -1.26 -4.97 118.16 114.01 1x4f n LYS 13 Ca 0.00 2.06 -0.36 0.00 -2.02 0.00 0.00 58.31 57.99 1x4f n LYS 13 Cb 0.00 -5.25 -0.00 0.00 -0.02 0.00 0.00 35.03 29.76 1x4f n LYS 13 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1x4f s PRO 14 N -2.33 3.53 1.01 1.97 0.04 -1.26 -5.02 135.00 132.95 1x4f s PRO 14 Ca 0.20 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 1x4f s PRO 14 Cb -0.05 -2.18 0.20 0.00 0.04 0.00 0.00 34.50 32.51 1x4f s PRO 14 CO 0.70 -0.72 1.08 -0.51 0.04 0.00 0.00 177.00 177.58 1x4f s ASP 15 N -1.59 2.34 0.21 6.66 1.11 -1.26 -4.99 116.67 119.15 1x4f s ASP 15 Ca 0.69 1.52 -0.26 0.00 0.18 0.00 0.00 52.55 54.68 1x4f s ASP 15 Cb -0.26 -2.20 -0.09 0.00 1.07 0.00 0.00 42.92 41.45 1x4f s ASP 15 CO 0.30 -3.35 0.84 0.00 1.18 0.00 0.00 175.17 174.14 1x4f s GLN 16 N -4.74 4.64 -0.08 8.23 -2.07 -1.26 -5.00 119.66 119.38 1x4f s GLN 16 Ca 0.66 1.26 -0.11 0.00 -1.82 0.00 0.00 55.36 55.36 1x4f s GLN 16 Cb -0.21 -3.18 -0.04 0.00 -1.09 0.00 0.00 33.01 28.50 1x4f s GLN 16 CO 0.60 0.51 -0.20 1.63 -1.32 0.00 0.00 175.29 176.50 1x4f n LYS 17 N 1.36 0.31 -1.90 9.60 4.76 -1.26 -5.12 118.16 125.91 1x4f n LYS 17 Ca -0.03 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1x4f n LYS 17 Cb 0.48 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.66 1x4f n LYS 17 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1x4f n PHE 18 N -3.86 -4.20 0.00 2.13 7.35 -1.26 -5.10 117.46 112.52 1x4f n PHE 18 Ca -0.08 2.53 0.00 0.00 -0.76 0.00 0.00 57.45 59.13 1x4f n PHE 18 Cb 0.30 -3.47 0.00 0.00 0.35 0.00 0.00 39.48 36.66 1x4f n PHE 18 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1x4f n ASP 19 N 1.60 0.00 -0.00 -2.13 2.03 -1.26 -5.00 116.55 111.78 1x4f n ASP 19 Ca 0.00 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.46 1x4f n ASP 19 Cb 0.00 0.00 0.75 0.00 -0.72 0.00 0.00 41.12 41.15 1x4f n ASP 19 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x4f n GLN 20 N -0.16 0.42 -3.36 -0.67 10.64 -1.26 -4.74 117.38 118.26 1x4f n GLN 20 Ca 0.00 -0.01 0.02 0.00 -1.83 0.00 0.00 57.00 55.18 1x4f n GLN 20 Cb 0.00 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 27.84 1x4f n GLN 20 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 1x4f s LYS 21 N -2.58 0.24 0.00 2.61 2.20 -1.26 -5.05 119.74 115.90 1x4f s LYS 21 Ca 0.28 0.59 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 1x4f s LYS 21 Cb 0.20 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.87 1x4f s LYS 21 CO 0.47 -0.08 0.00 0.94 -0.36 0.00 0.00 175.35 176.31 1x4f n GLN 22 N 4.86 0.00 -3.54 4.03 7.27 -1.26 -5.13 117.38 123.61 1x4f n GLN 22 Ca -0.09 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 56.98 1x4f n GLN 22 Cb 0.53 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.14 1x4f n GLN 22 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1x4f s GLU 23 N -1.95 0.43 -0.10 3.69 2.12 -1.26 -5.09 118.70 116.55 1x4f s GLU 23 Ca 0.00 0.99 0.03 0.00 0.36 0.00 0.00 54.97 56.35 1x4f s GLU 23 Cb 0.00 0.49 -0.01 0.00 0.26 0.00 0.00 34.13 34.88 1x4f s GLU 23 CO 0.00 -0.13 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.88 1x4f s LEU 24 N 2.35 2.34 -0.06 2.70 1.43 -1.26 -5.09 118.68 121.09 1x4f s LEU 24 Ca -0.05 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 1x4f s LEU 24 Cb -0.07 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1x4f s LEU 24 CO -0.18 0.19 1.36 -0.83 0.23 0.00 0.00 176.35 177.12 1x4f s GLY 25 N 0.17 1.82 -0.36 -3.19 0.00 -1.26 -4.99 107.32 99.50 1x4f s GLY 25 Ca -0.11 0.74 -0.02 0.00 0.00 0.00 0.00 44.72 45.33 1x4f s GLY 25 CO 0.06 2.51 0.12 0.50 0.00 0.00 0.00 173.10 176.29 1x4f s ARG 26 N 2.81 2.08 -0.07 2.90 0.52 -1.23 -4.81 118.95 121.16 1x4f s ARG 26 Ca 0.61 -1.64 -0.01 0.00 -0.52 0.00 0.00 55.73 54.17 1x4f s ARG 26 Cb -0.28 -3.41 0.03 0.00 0.52 0.00 0.00 34.95 31.81 1x4f s ARG 26 CO 0.23 -0.90 -0.00 0.08 0.02 0.00 0.00 175.30 174.73 1x4f s VAL 27 N 1.15 0.38 -0.43 3.52 1.01 -1.26 -3.89 120.40 120.88 1x4f s VAL 27 Ca 0.04 0.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.90 1x4f s VAL 27 Cb -0.21 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.66 1x4f s VAL 27 CO -0.04 0.26 0.78 -0.63 0.00 0.00 0.00 175.10 175.47 1x4f s ILE 28 N 1.91 4.68 -0.19 2.22 -1.09 0.75 -0.41 121.20 129.06 1x4f s ILE 28 Ca 0.04 0.53 -0.24 0.00 -2.23 0.00 0.00 60.65 58.75 1x4f s ILE 28 Cb -0.12 -4.29 -0.01 0.00 -1.58 0.00 0.00 42.46 36.46 1x4f s ILE 28 CO -0.05 -0.64 0.79 -2.28 -1.23 0.00 0.00 174.94 171.53 1x4f s HIS 29 N 3.22 3.38 -0.24 3.97 2.46 0.41 -0.90 115.29 127.58 1x4f s HIS 29 Ca 0.30 1.15 0.02 0.00 0.47 0.00 0.00 55.06 57.00 1x4f s HIS 29 Cb -0.12 -2.98 0.05 0.00 -0.13 0.00 0.00 32.58 29.39 1x4f s HIS 29 CO 0.21 -0.27 -0.12 -0.51 -2.47 0.00 0.00 174.74 171.58 1x4f s LEU 30 N 2.29 3.16 0.32 8.88 1.43 0.84 -1.24 118.68 134.36 1x4f s LEU 30 Ca 0.35 -1.18 0.09 0.00 -1.03 0.00 0.00 54.13 52.36 1x4f s LEU 30 Cb -0.16 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 1x4f s LEU 30 CO 0.11 -0.15 0.03 -0.44 0.23 0.00 0.00 176.35 176.13 1x4f s SER 31 N 1.17 4.34 -0.94 2.29 0.01 -0.33 -1.07 113.70 119.17 1x4f s SER 31 Ca -0.05 -0.87 -0.06 0.00 1.31 0.00 0.00 55.95 56.28 1x4f s SER 31 Cb -0.18 -0.63 0.01 0.00 0.21 0.00 0.00 66.02 65.42 1x4f s SER 31 CO -0.07 -0.18 0.82 -3.20 0.41 0.00 0.00 173.24 171.02 1x4f n ASN 32 N -0.97 -4.90 -4.85 2.44 5.15 -1.18 -0.81 115.26 110.14 1x4f n ASN 32 Ca -0.04 -0.38 -0.32 0.00 -0.60 0.00 0.00 54.58 53.24 1x4f n ASN 32 Cb 0.61 -3.65 -0.03 0.00 -0.53 0.00 0.00 39.78 36.18 1x4f n ASN 32 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x4f s LEU 33 N -5.37 3.60 0.00 1.20 1.43 -1.26 -4.17 118.68 114.11 1x4f s LEU 33 Ca 0.39 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 1x4f s LEU 33 Cb -0.17 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.59 1x4f s LEU 33 CO 0.51 -0.60 0.00 -0.81 0.23 0.00 0.00 176.35 175.68 1x4f n PRO 34 N -1.68 0.20 -2.67 1.29 -0.04 -1.26 -4.90 135.00 125.93 1x4f n PRO 34 Ca 0.06 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.48 1x4f n PRO 34 Cb 0.54 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.10 1x4f n PRO 34 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1x4f n HIS 35 N -1.31 -0.87 -0.98 0.54 8.25 -1.26 -5.00 115.22 114.60 1x4f n HIS 35 Ca 0.00 -0.99 0.08 0.00 -0.26 0.00 0.00 57.72 56.55 1x4f n HIS 35 Cb 0.00 1.26 0.27 0.00 1.12 0.00 0.00 29.99 32.65 1x4f n HIS 35 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1x4f n SER 36 N 0.34 4.06 -0.53 0.41 7.64 -1.26 -4.93 113.62 119.35 1x4f n SER 36 Ca -0.06 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 56.82 1x4f n SER 36 Cb 0.74 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1x4f n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4f n GLY 37 N -0.38 0.88 3.93 0.23 0.00 -1.26 -5.07 105.19 103.51 1x4f n GLY 37 Ca 0.22 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 1x4f n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x4f s TYR 38 N -2.90 3.34 0.11 1.61 1.13 -1.26 -5.08 117.35 114.30 1x4f s TYR 38 Ca 0.00 0.53 -0.11 0.00 -1.41 0.00 0.00 57.07 56.08 1x4f s TYR 38 Cb 0.00 -2.42 -0.06 0.00 -1.10 0.00 0.00 41.96 38.38 1x4f s TYR 38 CO 0.00 -0.46 0.45 -1.12 -2.51 0.00 0.00 175.55 171.91 1x4f s SER 39 N -4.20 6.69 0.30 -0.18 0.01 -1.26 -4.97 113.70 110.09 1x4f s SER 39 Ca 0.49 0.88 0.01 0.00 1.31 0.00 0.00 55.95 58.64 1x4f s SER 39 Cb -0.10 -2.21 0.74 0.00 0.21 0.00 0.00 66.02 64.65 1x4f s SER 39 CO 0.42 0.14 1.55 -0.90 0.41 0.00 0.00 173.24 174.85 1x4f n ASP 40 N 0.80 -0.13 -0.32 2.44 5.68 -1.26 0.21 116.55 123.97 1x4f n ASP 40 Ca -0.07 1.68 0.05 0.00 -0.50 0.00 0.00 54.79 55.95 1x4f n ASP 40 Cb 0.52 -0.60 0.13 0.00 -1.14 0.00 0.00 41.12 40.03 1x4f n ASP 40 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1x4f h SER 41 N 0.00 -0.82 -1.03 -1.12 0.02 -1.97 0.98 113.55 109.61 1x4f h SER 41 Ca 0.59 0.27 0.26 0.00 -0.84 0.00 0.00 61.79 62.07 1x4f h SER 41 Cb 1.20 0.56 -0.10 0.00 0.14 0.00 0.00 62.40 64.20 1x4f h SER 41 CO -0.93 -0.30 0.65 0.00 -1.14 0.00 0.00 176.83 175.11 1x4f h ALA 42 N 1.91 2.12 0.00 3.77 0.00 -0.63 0.94 119.26 127.37 1x4f h ALA 42 Ca 0.45 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.32 1x4f h ALA 42 Cb 0.70 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1x4f h ALA 42 CO -0.93 -0.55 -0.54 0.28 0.00 0.00 0.00 179.25 177.52 1x4f h VAL 43 N 0.44 1.00 -0.00 0.00 2.07 0.90 -3.12 116.25 117.54 1x4f h VAL 43 Ca 0.61 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1x4f h VAL 43 Cb 1.44 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1x4f h VAL 43 CO -0.34 0.52 -0.59 0.18 0.02 0.00 0.00 177.57 177.37 1x4f n LEU 44 N -3.34 0.59 0.22 2.57 4.77 0.22 -3.95 117.00 118.08 1x4f n LEU 44 Ca 0.01 -0.09 0.15 0.00 -0.03 0.00 0.00 56.01 56.06 1x4f n LEU 44 Cb 0.69 -0.21 0.78 0.00 -2.33 0.00 0.00 43.42 42.36 1x4f n LEU 44 CO 0.40 0.15 0.96 0.11 -1.33 0.00 0.00 177.39 177.68 1x4f h LYS 45 N 0.01 0.00 -0.01 3.23 1.57 0.61 0.15 116.57 122.12 1x4f h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x4f h LYS 45 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1x4f h LYS 45 CO 0.00 0.00 -0.20 1.47 -0.57 0.00 0.00 179.45 180.15 1x4f n LEU 46 N -2.58 1.69 0.00 2.94 -0.00 -1.25 -3.96 117.00 113.83 1x4f n LEU 46 Ca -0.01 -0.55 0.00 0.00 -0.00 0.00 0.00 56.01 55.44 1x4f n LEU 46 Cb 0.10 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 1x4f n LEU 46 CO 0.16 0.30 0.16 0.00 -0.00 0.00 0.00 177.39 178.01 1x4f n ALA 47 N 0.02 2.11 0.35 1.47 0.00 0.36 -4.71 120.51 120.11 1x4f n ALA 47 Ca 0.13 -0.32 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 1x4f n ALA 47 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 1x4f n ALA 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x4f h GLU 48 N 0.00 -0.89 0.00 0.00 5.08 -1.23 -1.88 114.58 115.66 1x4f h GLU 48 Ca 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1x4f h GLU 48 Cb 0.04 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1x4f h GLU 48 CO 0.00 -0.59 0.00 -0.35 -1.00 0.00 0.00 179.01 177.07 1x4f n PRO 49 N -5.09 0.49 -0.11 2.33 -0.04 -1.26 -2.55 135.00 128.76 1x4f n PRO 49 Ca -0.11 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.20 1x4f n PRO 49 Cb 0.36 -1.35 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 1x4f n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x4f n TYR 50 N -0.85 0.00 0.00 0.54 4.02 -1.12 -5.09 117.16 114.66 1x4f n TYR 50 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 1x4f n TYR 50 Cb 0.04 -0.94 0.00 0.00 -0.02 0.00 0.00 39.34 38.42 1x4f n TYR 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x4f n GLY 51 N 2.21 0.74 3.64 2.72 0.00 -0.72 -4.15 105.19 109.62 1x4f n GLY 51 Ca -0.40 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 1x4f n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4f s LYS 52 N -2.00 3.97 -0.82 1.61 1.02 -1.26 -4.38 119.74 117.88 1x4f s LYS 52 Ca 0.00 1.92 -0.25 0.00 0.02 0.00 0.00 55.97 57.66 1x4f s LYS 52 Cb 0.00 -4.01 -0.03 0.00 -0.52 0.00 0.00 37.83 33.27 1x4f s LYS 52 CO 0.00 -1.08 1.85 0.42 -0.92 0.00 0.00 175.35 175.62 1x4f s ILE 53 N 4.68 3.47 0.15 2.17 1.01 -1.26 -0.55 121.20 130.87 1x4f s ILE 53 Ca 0.72 -0.21 0.28 0.00 0.00 0.00 0.00 60.65 61.44 1x4f s ILE 53 Cb -0.29 -4.11 0.30 0.00 0.01 0.00 0.00 42.46 38.37 1x4f s ILE 53 CO 0.29 -1.06 1.91 0.11 0.00 0.00 0.00 174.94 176.19 1x4f h LYS 54 N 12.16 0.00 -1.52 2.79 6.56 -1.66 -3.46 116.57 131.44 1x4f h LYS 54 Ca -0.01 0.00 0.13 0.00 -1.06 0.00 0.00 60.65 59.71 1x4f h LYS 54 Cb 1.05 0.00 -0.23 0.00 -0.57 0.00 0.00 32.23 32.48 1x4f h LYS 54 CO 1.23 0.13 0.65 1.21 -2.06 0.00 0.00 179.45 180.62 1x4f s ASN 55 N -6.00 -0.28 0.06 0.86 2.47 -1.15 -5.04 114.94 105.86 1x4f s ASN 55 Ca 0.00 0.25 -0.13 0.00 0.42 0.00 0.00 52.86 53.40 1x4f s ASN 55 Cb 0.10 0.24 0.02 0.00 -1.45 0.00 0.00 41.25 40.16 1x4f s ASN 55 CO 0.60 -0.30 0.29 -0.72 -3.72 0.00 0.00 177.10 173.25 1x4f s TYR 56 N -1.42 -0.07 -0.06 0.43 1.13 -1.26 0.24 117.35 116.35 1x4f s TYR 56 Ca 0.02 -0.16 -0.01 0.00 -1.41 0.00 0.00 57.07 55.51 1x4f s TYR 56 Cb -0.01 0.09 0.03 0.00 -1.10 0.00 0.00 41.96 40.97 1x4f s TYR 56 CO -0.02 -0.54 0.01 0.42 -2.51 0.00 0.00 175.55 172.91 1x4f s ILE 57 N -2.98 0.27 -0.49 -3.49 -1.09 0.13 -4.95 121.20 108.61 1x4f s ILE 57 Ca -0.02 0.17 -0.05 0.00 -2.23 0.00 0.00 60.65 58.52 1x4f s ILE 57 Cb 0.01 -0.44 0.13 0.00 -1.58 0.00 0.00 42.46 40.57 1x4f s ILE 57 CO -0.06 0.24 0.32 -0.76 -1.23 0.00 0.00 174.94 173.44 1x4f s LEU 58 N 1.91 5.44 -0.28 2.97 2.01 -1.26 -0.56 118.68 128.91 1x4f s LEU 58 Ca 0.03 -2.20 -0.10 0.00 0.01 0.00 0.00 54.13 51.88 1x4f s LEU 58 Cb -0.12 -1.90 -0.04 0.00 0.01 0.00 0.00 46.19 44.13 1x4f s LEU 58 CO -0.04 -0.55 0.16 -0.04 1.01 0.00 0.00 176.35 176.88 1x4f s MET 59 N 0.91 3.81 0.08 1.70 -1.94 0.36 -4.94 119.30 119.29 1x4f s MET 59 Ca 0.10 -0.40 0.24 0.00 -1.71 0.00 0.00 55.69 53.92 1x4f s MET 59 Cb -0.23 -3.58 0.38 0.00 2.01 0.00 0.00 34.83 33.42 1x4f s MET 59 CO -0.03 -0.21 1.34 0.54 -0.01 0.00 0.00 175.02 176.64 1x4f n ARG 60 N 5.02 0.21 0.00 2.03 1.74 -1.26 -1.36 116.66 123.05 1x4f n ARG 60 Ca -0.14 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1x4f n ARG 60 Cb 0.52 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1x4f n ARG 60 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1x4f n MET 61 N -1.94 0.00 -2.14 5.56 2.81 -1.26 -3.17 117.12 116.98 1x4f n MET 61 Ca 0.04 0.87 -0.25 0.00 -1.81 0.00 0.00 57.70 56.55 1x4f n MET 61 Cb 0.41 -1.43 0.02 0.00 -0.71 0.00 0.00 33.22 31.51 1x4f n MET 61 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1x4f n LYS 62 N -2.61 3.54 -3.46 0.03 5.02 -1.26 -4.99 118.16 114.42 1x4f n LYS 62 Ca 0.00 -4.25 -0.27 0.00 -2.02 0.00 0.00 58.31 51.77 1x4f n LYS 62 Cb 0.00 -2.27 0.02 0.00 -0.02 0.00 0.00 35.03 32.76 1x4f n LYS 62 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1x4f n SER 63 N -0.64 -5.86 -3.72 4.39 3.41 -1.19 -4.78 113.62 105.23 1x4f n SER 63 Ca 0.43 -0.29 -0.14 0.00 -0.26 0.00 0.00 58.87 58.62 1x4f n SER 63 Cb 0.87 -2.51 -0.09 0.00 -0.26 0.00 0.00 64.21 62.22 1x4f n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1x4f s GLN 64 N -3.24 0.61 -0.04 4.33 -0.21 -0.47 -3.10 119.66 117.55 1x4f s GLN 64 Ca 0.22 0.32 -0.09 0.00 0.02 0.00 0.00 55.36 55.83 1x4f s GLN 64 Cb -0.03 0.29 0.01 0.00 1.00 0.00 0.00 33.01 34.28 1x4f s GLN 64 CO 0.86 -0.13 0.21 0.00 -2.12 0.00 0.00 175.29 174.11 1x4f s ALA 65 N -0.40 -0.50 -0.23 6.09 0.00 -0.23 -0.48 121.76 125.99 1x4f s ALA 65 Ca -0.05 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1x4f s ALA 65 Cb -0.03 -0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.04 1x4f s ALA 65 CO 0.03 -0.17 -0.10 -0.06 0.00 0.00 0.00 175.76 175.46 1x4f s PHE 66 N -0.73 2.80 -0.33 0.00 0.40 0.27 -0.11 117.98 120.28 1x4f s PHE 66 Ca -0.08 -1.96 -0.10 0.00 -0.60 0.00 0.00 56.93 54.19 1x4f s PHE 66 Cb -0.05 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.72 1x4f s PHE 66 CO 0.02 -0.82 0.16 0.42 0.70 0.00 0.00 175.22 175.70 1x4f s ILE 67 N 1.26 4.54 -0.49 0.64 1.01 -0.08 0.22 121.20 128.30 1x4f s ILE 67 Ca -0.06 -0.59 -0.21 0.00 0.00 0.00 0.00 60.65 59.79 1x4f s ILE 67 Cb -0.18 -3.39 0.04 0.00 0.01 0.00 0.00 42.46 38.94 1x4f s ILE 67 CO -0.07 -0.03 0.74 -0.70 0.00 0.00 0.00 174.94 174.88 1x4f s GLU 68 N 1.58 3.25 1.08 2.79 2.12 0.14 -0.18 118.70 129.49 1x4f s GLU 68 Ca 0.04 -0.49 -0.14 0.00 0.36 0.00 0.00 54.97 54.73 1x4f s GLU 68 Cb -0.18 -4.03 0.23 0.00 0.26 0.00 0.00 34.13 30.41 1x4f s GLU 68 CO 0.06 -1.23 1.09 -1.64 -0.54 0.00 0.00 175.26 173.00 1x4f s MET 69 N 3.12 -0.23 0.13 4.30 -1.94 -1.25 -2.20 119.30 121.23 1x4f s MET 69 Ca 0.23 0.37 -0.08 0.00 -1.71 0.00 0.00 55.69 54.50 1x4f s MET 69 Cb -0.15 -1.67 -0.06 0.00 2.01 0.00 0.00 34.83 34.95 1x4f s MET 69 CO 0.17 -3.14 1.36 1.49 -0.01 0.00 0.00 175.02 174.89 1x4f h GLU 70 N -2.18 0.61 0.00 2.03 4.81 -1.11 -3.40 114.58 115.34 1x4f h GLU 70 Ca -0.53 -0.51 -0.40 0.00 -0.13 0.00 0.00 59.36 57.78 1x4f h GLU 70 Cb 1.33 0.11 -0.10 0.00 0.63 0.00 0.00 28.75 30.71 1x4f h GLU 70 CO 0.51 1.13 -0.37 0.25 -0.73 0.00 0.00 179.01 179.80 1x4f n THR 71 N -3.88 0.00 0.05 0.32 -2.24 -1.26 -5.02 114.28 102.25 1x4f n THR 71 Ca -0.06 -1.94 -0.20 0.00 -2.27 0.00 0.00 64.05 59.58 1x4f n THR 71 Cb 0.74 0.88 -0.12 0.00 -2.10 0.00 0.00 70.33 69.72 1x4f n THR 71 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1x4f h ARG 72 N 0.00 0.52 -0.86 -0.78 2.43 -1.94 -3.16 114.38 110.59 1x4f h ARG 72 Ca -0.21 -0.65 0.16 0.00 -0.81 0.00 0.00 59.98 58.47 1x4f h ARG 72 Cb 0.97 0.21 -0.10 0.00 -0.42 0.00 0.00 29.97 30.62 1x4f h ARG 72 CO 0.32 1.26 0.42 0.93 -1.51 0.00 0.00 179.97 181.39 1x4f h GLU 73 N 0.08 0.55 0.20 0.20 5.08 -1.97 0.22 114.58 118.93 1x4f h GLU 73 Ca -0.14 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1x4f h GLU 73 Cb 1.65 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1x4f h GLU 73 CO 0.18 0.36 -0.10 -0.44 -1.00 0.00 0.00 179.01 178.02 1x4f h ASP 74 N 0.56 -0.23 -0.79 1.42 3.32 -1.72 0.33 116.42 119.31 1x4f h ASP 74 Ca 0.48 0.01 0.19 0.00 0.02 0.00 0.00 57.03 57.73 1x4f h ASP 74 Cb 0.75 0.06 -0.13 0.00 0.22 0.00 0.00 39.33 40.23 1x4f h ASP 74 CO -0.40 -0.13 0.10 0.00 -1.72 0.00 0.00 179.24 177.08 1x4f h ALA 75 N -1.82 0.96 0.41 3.45 0.00 -1.48 -0.87 119.26 119.91 1x4f h ALA 75 Ca -0.03 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1x4f h ALA 75 Cb 0.21 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1x4f h ALA 75 CO 0.05 -0.42 -0.20 0.52 0.00 0.00 0.00 179.25 179.20 1x4f h MET 76 N 0.16 -0.53 -0.50 0.00 2.86 -0.60 -2.05 114.93 114.27 1x4f h MET 76 Ca 0.46 0.04 0.15 0.00 -2.06 0.00 0.00 59.70 58.28 1x4f h MET 76 Cb 0.84 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 1x4f h MET 76 CO -0.64 -0.33 0.54 0.00 1.06 0.00 0.00 176.91 177.54 1x4f h ALA 77 N -0.01 2.24 0.22 6.32 0.00 0.40 0.78 119.26 129.20 1x4f h ALA 77 Ca -0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1x4f h ALA 77 Cb 0.45 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1x4f h ALA 77 CO 0.09 -0.80 -0.10 1.98 0.00 0.00 0.00 179.25 180.42 1x4f h MET 78 N 0.00 -0.28 0.00 0.00 4.05 -0.59 -2.21 114.93 115.90 1x4f h MET 78 Ca 0.24 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.67 1x4f h MET 78 Cb 1.31 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 32.18 1x4f h MET 78 CO -0.00 -0.07 -0.02 -0.39 0.23 0.00 0.00 176.91 176.65 1x4f h VAL 79 N -1.04 0.36 0.05 -5.77 -1.51 -0.82 -2.29 116.25 105.23 1x4f h VAL 79 Ca -0.03 -0.12 -0.17 0.00 -1.23 0.00 0.00 66.70 65.15 1x4f h VAL 79 Cb 0.34 1.09 0.02 0.00 -2.13 0.00 0.00 31.29 30.60 1x4f h VAL 79 CO 0.05 0.02 -0.69 -0.78 -1.23 0.00 0.00 177.57 174.94 1x4f h ASP 80 N 0.00 0.52 0.02 4.19 1.82 -0.93 -3.20 116.42 118.84 1x4f h ASP 80 Ca -0.00 -0.83 0.00 0.00 -0.39 0.00 0.00 57.03 55.81 1x4f h ASP 80 Cb 0.08 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 39.93 1x4f h ASP 80 CO 0.00 1.29 0.00 -0.74 -1.61 0.00 0.00 179.24 178.18 1x4f h HIS 81 N -0.19 0.00 0.00 0.28 2.76 -0.81 0.28 115.15 117.47 1x4f h HIS 81 Ca -0.10 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 57.96 1x4f h HIS 81 Cb 1.45 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.39 1x4f h HIS 81 CO 0.16 0.00 -0.59 0.00 -1.30 0.00 0.00 177.93 176.21 1x4f h LEU 83 N 0.00 -0.08 -0.06 0.00 3.38 -0.97 -3.34 115.31 114.24 1x4f h LEU 83 Ca -0.02 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1x4f h LEU 83 Cb 1.41 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1x4f h LEU 83 CO 0.06 0.44 -0.13 0.11 0.09 0.00 0.00 178.44 179.01 1x4f h LYS 84 N -0.63 0.19 -5.69 1.13 6.56 -1.66 -3.44 116.57 113.03 1x4f h LYS 84 Ca -0.01 -0.13 -0.63 0.00 -1.06 0.00 0.00 60.65 58.82 1x4f h LYS 84 Cb 0.53 0.02 -0.31 0.00 -0.57 0.00 0.00 32.23 31.90 1x4f h LYS 84 CO 0.02 0.73 -0.86 0.15 -2.06 0.00 0.00 179.45 177.42 1x4f s LYS 85 N -3.89 2.15 -0.26 3.15 1.02 -0.84 -5.09 119.74 115.98 1x4f s LYS 85 Ca -0.15 -0.76 -0.29 0.00 0.02 0.00 0.00 55.97 54.79 1x4f s LYS 85 Cb 0.03 -1.85 -0.02 0.00 -0.52 0.00 0.00 37.83 35.46 1x4f s LYS 85 CO 0.73 0.32 1.69 0.00 -0.92 0.00 0.00 175.35 177.17 1x4f s ALA 86 N -0.09 3.12 -0.41 5.17 0.00 -1.26 -3.58 121.76 124.71 1x4f s ALA 86 Ca -0.03 0.40 -0.28 0.00 0.00 0.00 0.00 51.96 52.04 1x4f s ALA 86 Cb -0.12 -3.92 -0.00 0.00 0.00 0.00 0.00 23.12 19.08 1x4f s ALA 86 CO 0.03 -2.22 1.58 -1.17 0.00 0.00 0.00 175.76 173.98 1x4f s LEU 87 N 5.85 3.52 -0.33 0.00 0.20 -1.26 -4.98 118.68 121.69 1x4f s LEU 87 Ca 0.75 0.93 -0.09 0.00 0.69 0.00 0.00 54.13 56.41 1x4f s LEU 87 Cb -0.24 -3.43 0.01 0.00 -0.43 0.00 0.00 46.19 42.10 1x4f s LEU 87 CO 0.31 -1.62 0.15 0.26 -0.29 0.00 0.00 176.35 175.17 1x4f s TRP 88 N 6.24 3.20 -0.78 5.38 0.52 -1.26 -3.63 118.94 128.61 1x4f s TRP 88 Ca 0.68 -0.85 -0.21 0.00 0.02 0.00 0.00 56.10 55.74 1x4f s TRP 88 Cb -0.17 -2.35 0.09 0.00 -1.15 0.00 0.00 33.47 29.89 1x4f s TRP 88 CO 0.32 -0.56 1.06 0.12 0.02 0.00 0.00 176.95 177.90 1x4f s PHE 89 N 1.55 2.81 0.00 -1.98 5.36 -0.24 -4.66 117.98 120.83 1x4f s PHE 89 Ca 0.03 -0.85 0.00 0.00 -0.96 0.00 0.00 56.93 55.15 1x4f s PHE 89 Cb -0.18 -4.32 0.00 0.00 -0.34 0.00 0.00 43.02 38.18 1x4f s PHE 89 CO 0.05 -1.62 0.00 1.04 -1.46 0.00 0.00 175.22 173.23 1x4f n GLN 90 N 7.41 0.00 -0.38 10.12 6.02 -1.26 -2.83 117.38 136.47 1x4f n GLN 90 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1x4f n GLN 90 Cb 0.47 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.73 1x4f n GLN 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x4f n GLY 91 N 0.00 0.85 3.30 1.08 0.00 -1.26 -5.13 105.19 104.02 1x4f n GLY 91 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1x4f n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4f s ARG 92 N 0.00 1.17 -0.96 1.61 1.81 -1.13 -5.05 118.95 116.39 1x4f s ARG 92 Ca 0.00 -1.25 -0.04 0.00 -1.72 0.00 0.00 55.73 52.72 1x4f s ARG 92 Cb 0.00 -1.33 0.13 0.00 -0.45 0.00 0.00 34.95 33.30 1x4f s ARG 92 CO 0.00 0.29 2.44 0.00 -0.68 0.00 0.00 175.30 177.35 1x4f n VAL 94 N 1.11 1.81 -3.34 0.00 3.14 -1.24 -4.93 118.33 114.88 1x4f n VAL 94 Ca 0.56 -0.45 -0.39 0.00 -2.96 0.00 0.00 64.34 61.09 1x4f n VAL 94 Cb 0.35 -0.93 -0.08 0.00 -1.06 0.00 0.00 33.84 32.11 1x4f n VAL 94 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1x4f s LYS 95 N -1.33 4.04 -0.24 1.45 2.20 0.01 -4.71 119.74 121.17 1x4f s LYS 95 Ca 0.61 0.14 -0.03 0.00 -0.36 0.00 0.00 55.97 56.33 1x4f s LYS 95 Cb -0.73 -3.65 0.01 0.00 -1.51 0.00 0.00 37.83 31.95 1x4f s LYS 95 CO 0.58 -0.29 -0.04 0.54 -0.36 0.00 0.00 175.35 175.78 1x4f s VAL 96 N 2.10 3.19 -0.07 4.02 0.11 -1.26 -1.19 120.40 127.30 1x4f s VAL 96 Ca 0.17 -0.72 -0.06 0.00 -2.93 0.00 0.00 61.98 58.43 1x4f s VAL 96 Cb -0.16 -2.52 0.02 0.00 -1.53 0.00 0.00 36.38 32.19 1x4f s VAL 96 CO 0.10 0.31 0.18 -1.81 -3.33 0.00 0.00 175.10 170.55 1x4f s ASP 97 N 1.42 -0.19 0.05 3.54 1.01 -0.37 -4.64 116.67 117.49 1x4f s ASP 97 Ca 0.03 0.35 -0.31 0.00 0.71 0.00 0.00 52.55 53.34 1x4f s ASP 97 Cb -0.15 0.37 -0.07 0.00 1.01 0.00 0.00 42.92 44.08 1x4f s ASP 97 CO -0.04 -0.07 1.50 -0.22 0.21 0.00 0.00 175.17 176.55 1x4f s LEU 98 N 0.05 4.35 -0.39 1.23 2.96 -1.26 -0.45 118.68 125.17 1x4f s LEU 98 Ca -0.00 2.32 -0.14 0.00 -0.22 0.00 0.00 54.13 56.08 1x4f s LEU 98 Cb -0.01 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.12 1x4f s LEU 98 CO 0.00 -0.78 0.28 -0.55 -1.32 0.00 0.00 176.35 173.99 1x4f s SER 99 N 1.90 6.09 -0.79 3.68 0.15 0.45 -4.88 113.70 120.30 1x4f s SER 99 Ca 0.68 -0.76 -0.02 0.00 0.70 0.00 0.00 55.95 56.55 1x4f s SER 99 Cb -0.36 -2.15 0.37 0.00 -1.71 0.00 0.00 66.02 62.17 1x4f s SER 99 CO 0.29 -0.39 2.05 1.21 1.20 0.00 0.00 173.24 177.61 1x4f n GLU 100 N 5.14 2.72 0.00 5.44 4.07 -1.26 -4.18 120.64 132.57 1x4f n GLU 100 Ca -0.11 -3.42 0.00 0.00 -0.06 0.00 0.00 57.16 53.56 1x4f n GLU 100 Cb 0.48 -2.27 0.00 0.00 -0.06 0.00 0.00 31.44 29.59 1x4f n GLU 100 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1x4f n LYS 101 N -0.60 0.13 0.05 5.31 4.81 -1.26 -4.87 118.16 121.72 1x4f n LYS 101 Ca 0.56 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.80 1x4f n LYS 101 Cb 0.35 -0.65 -0.13 0.00 0.02 0.00 0.00 35.03 34.63 1x4f n LYS 101 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1x4f h TYR 102 N 0.00 0.74 0.00 5.64 -1.99 -1.99 -3.47 116.97 115.90 1x4f h TYR 102 Ca 0.00 -0.46 0.00 0.00 2.00 0.00 0.00 58.73 60.27 1x4f h TYR 102 Cb 0.29 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.96 1x4f h TYR 102 CO 0.00 1.31 0.00 1.17 -0.00 0.00 0.00 178.16 180.64 1x4f n LYS 103 N -4.04 0.00 -4.71 4.88 0.00 -1.26 -4.77 118.16 108.25 1x4f n LYS 103 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 57.87 1x4f n LYS 103 Cb 0.83 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.77 1x4f n LYS 103 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1x4f s LYS 104 N 0.00 2.11 0.37 1.64 1.02 -1.26 -3.52 119.74 120.11 1x4f s LYS 104 Ca 0.00 -2.30 0.00 0.00 0.02 0.00 0.00 55.97 53.69 1x4f s LYS 104 Cb 0.00 -1.54 0.00 0.00 -0.52 0.00 0.00 37.83 35.77 1x4f s LYS 104 CO 0.00 -0.26 0.02 1.28 -0.92 0.00 0.00 175.35 175.46 1x4f n LEU 105 N -1.16 0.00 -2.30 3.17 4.77 -1.26 -5.02 117.00 115.20 1x4f n LEU 105 Ca -0.14 -2.30 -0.03 0.00 -0.03 0.00 0.00 56.01 53.50 1x4f n LEU 105 Cb 0.67 0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.97 1x4f n LEU 105 CO 0.41 -0.34 -0.51 0.52 -1.33 0.00 0.00 177.39 176.15 1x4f n VAL 106 N -0.95-11.23 -4.13 4.08 0.31 -1.26 -5.04 118.33 100.11 1x4f n VAL 106 Ca -0.15 2.39 -0.26 0.00 -0.01 0.00 0.00 64.34 66.31 1x4f n VAL 106 Cb 0.47 -5.88 -0.06 0.00 -0.91 0.00 0.00 33.84 27.46 1x4f n VAL 106 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1x4f s SER 107 N -0.53 5.23 0.00 4.52 0.01 -1.26 -5.08 113.70 116.59 1x4f s SER 107 Ca -0.17 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1x4f s SER 107 Cb 0.01 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.97 1x4f s SER 107 CO 0.46 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.80 1x4f n GLY 108 N -0.23 -1.23 0.00 3.44 0.00 -1.26 -4.96 105.19 100.95 1x4f n GLY 108 Ca -0.09 -0.99 0.07 0.00 0.00 0.00 0.00 46.02 45.01 1x4f n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4f n PRO 109 N 0.00 0.02 -0.80 1.61 -0.04 -1.26 -4.80 135.00 129.73 1x4f n PRO 109 Ca 0.00 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1x4f n PRO 109 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1x4f n PRO 109 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4f n SER 110 N -1.48 -1.84 -4.90 3.54 7.64 -1.26 -3.83 113.62 111.48 1x4f n SER 110 Ca 0.04 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.61 1x4f n SER 110 Cb 0.16 -0.92 -0.04 0.00 -1.01 0.00 0.00 64.21 62.40 1x4f n SER 110 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4f s SER 111 N 0.00 6.47 0.00 6.43 0.15 -1.26 -4.84 113.70 120.65 1x4f s SER 111 Ca 0.00 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.22 1x4f s SER 111 Cb 0.00 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1x4f s SER 111 CO 0.00 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.06