#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 -0.36 -0.40 1.61 0.01 -1.26 -4.91 113.70 108.39 1x4f s SER 2 Ca 0.00 0.66 0.01 0.00 1.31 0.00 0.00 55.95 57.93 1x4f s SER 2 Cb 0.00 0.80 0.14 0.00 0.21 0.00 0.00 66.02 67.17 1x4f s SER 2 CO 0.00 -0.11 0.22 -0.44 0.41 0.00 0.00 173.24 173.32 1x4f s SER 3 N 0.48 3.37 0.00 2.44 0.01 -1.26 -4.97 113.70 113.76 1x4f s SER 3 Ca 0.01 -2.42 0.00 0.00 1.31 0.00 0.00 55.95 54.85 1x4f s SER 3 Cb -0.05 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.42 1x4f s SER 3 CO -0.10 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1x4f n GLY 4 N 3.78 -1.35 2.05 3.44 0.00 -1.26 -5.11 105.19 106.74 1x4f n GLY 4 Ca 0.10 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1x4f n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4f n SER 5 N -0.76 -0.87 -3.52 1.61 2.88 -1.26 -5.14 113.62 106.56 1x4f n SER 5 Ca 0.00 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1x4f n SER 5 Cb 0.00 1.10 -0.04 0.00 -0.75 0.00 0.00 64.21 64.52 1x4f n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4f s SER 6 N -1.98 -0.93 -0.13 -3.46 1.04 -1.26 -5.08 113.70 101.91 1x4f s SER 6 Ca 0.00 1.22 -0.05 0.00 0.48 0.00 0.00 55.95 57.61 1x4f s SER 6 Cb 0.00 2.04 0.02 0.00 0.10 0.00 0.00 66.02 68.17 1x4f s SER 6 CO 0.00 -0.18 0.09 0.61 0.98 0.00 0.00 173.24 174.74 1x4f n GLY 7 N 5.27 -4.05 0.86 7.32 0.00 -1.26 -5.03 105.19 108.29 1x4f n GLY 7 Ca -0.10 0.60 -0.03 0.00 0.00 0.00 0.00 46.02 46.50 1x4f n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x4f n LYS 8 N 0.75 0.00 0.30 1.61 5.02 -1.26 -4.99 118.16 119.60 1x4f n LYS 8 Ca -0.16 -0.82 -0.12 0.00 -2.02 0.00 0.00 58.31 55.19 1x4f n LYS 8 Cb 0.24 0.17 -0.06 0.00 -0.02 0.00 0.00 35.03 35.37 1x4f n LYS 8 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1x4f h LYS 9 N 0.14 -0.76 -5.86 1.97 6.56 -1.96 -3.39 116.57 113.27 1x4f h LYS 9 Ca -0.29 0.05 -0.41 0.00 -1.06 0.00 0.00 60.65 58.95 1x4f h LYS 9 Cb 1.35 0.17 -0.04 0.00 -0.57 0.00 0.00 32.23 33.14 1x4f h LYS 9 CO -0.12 -0.50 1.08 -1.25 -2.06 0.00 0.00 179.45 176.60 1x4f s PRO 10 N -4.34 2.59 -0.12 3.15 0.04 -1.26 -4.90 135.00 130.17 1x4f s PRO 10 Ca -0.11 0.21 -0.30 0.00 0.04 0.00 0.00 61.00 60.84 1x4f s PRO 10 Cb 0.01 -4.69 0.09 0.00 0.04 0.00 0.00 34.50 29.95 1x4f s PRO 10 CO 0.34 -3.02 0.79 -2.00 0.04 0.00 0.00 177.00 173.16 1x4f s GLU 11 N 7.03 0.87 0.00 4.56 -6.30 -1.26 -5.17 118.70 118.43 1x4f s GLU 11 Ca 0.68 0.35 0.00 0.00 -2.50 0.00 0.00 54.97 53.50 1x4f s GLU 11 Cb -0.10 0.41 0.00 0.00 0.00 0.00 0.00 34.13 34.44 1x4f s GLU 11 CO 0.11 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1x4f n GLY 12 N 1.18 0.98 3.57 -1.50 0.00 -1.26 -5.15 105.19 103.01 1x4f n GLY 12 Ca -0.16 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 1x4f n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4f s LYS 13 N -1.47 1.49 1.12 1.61 1.02 -1.26 -5.18 119.74 117.08 1x4f s LYS 13 Ca 0.00 -1.15 -0.16 0.00 0.02 0.00 0.00 55.97 54.68 1x4f s LYS 13 Cb 0.00 0.48 0.25 0.00 -0.52 0.00 0.00 37.83 38.04 1x4f s LYS 13 CO 0.00 -0.62 1.10 -1.25 -0.92 0.00 0.00 175.35 173.66 1x4f s PRO 14 N -3.98 -0.57 0.37 -1.68 0.04 -1.26 -5.09 135.00 122.83 1x4f s PRO 14 Ca 0.18 0.17 -0.09 0.00 0.04 0.00 0.00 61.00 61.30 1x4f s PRO 14 Cb -0.01 -1.65 0.03 0.00 0.04 0.00 0.00 34.50 32.91 1x4f s PRO 14 CO 0.06 -3.32 0.64 -0.51 0.04 0.00 0.00 177.00 173.91 1x4f s ASP 15 N -3.71 0.49 -0.18 6.66 1.11 -1.26 -5.16 116.67 114.63 1x4f s ASP 15 Ca 0.69 -1.34 0.01 0.00 0.18 0.00 0.00 52.55 52.08 1x4f s ASP 15 Cb -0.14 0.77 0.02 0.00 1.07 0.00 0.00 42.92 44.65 1x4f s ASP 15 CO 0.57 -1.52 -0.19 0.00 1.18 0.00 0.00 175.17 175.21 1x4f s GLN 16 N -2.59 2.85 0.88 8.23 -2.07 -1.26 -5.12 119.66 120.58 1x4f s GLN 16 Ca 0.23 -0.80 -0.11 0.00 -1.82 0.00 0.00 55.36 52.86 1x4f s GLN 16 Cb -0.03 -2.50 0.12 0.00 -1.09 0.00 0.00 33.01 29.51 1x4f s GLN 16 CO 0.16 -0.23 1.14 1.17 -1.32 0.00 0.00 175.29 176.22 1x4f n LYS 17 N 4.64 -0.25 0.00 9.60 4.81 -1.26 -4.98 118.16 130.72 1x4f n LYS 17 Ca -0.20 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 1x4f n LYS 17 Cb 0.50 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.17 1x4f n LYS 17 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1x4f n PHE 18 N -3.93 0.00 -4.19 5.64 3.01 -1.26 -5.13 117.46 111.61 1x4f n PHE 18 Ca 0.12 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.47 1x4f n PHE 18 Cb 0.52 0.19 -0.10 0.00 -0.01 0.00 0.00 39.48 40.08 1x4f n PHE 18 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1x4f s ASP 19 N -4.56 0.29 0.00 4.37 1.01 -1.26 -5.14 116.67 111.39 1x4f s ASP 19 Ca 0.00 -1.32 0.00 0.00 0.71 0.00 0.00 52.55 51.94 1x4f s ASP 19 Cb 0.00 0.33 0.00 0.00 1.01 0.00 0.00 42.92 44.26 1x4f s ASP 19 CO 0.00 -0.79 0.00 1.67 0.21 0.00 0.00 175.17 176.26 1x4f n GLN 20 N -0.21 0.00 0.07 8.23 7.27 -1.26 -5.07 117.38 126.41 1x4f n GLN 20 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1x4f n GLN 20 Cb 0.65 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.30 1x4f n GLN 20 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1x4f n LYS 21 N 0.00 0.00 -0.19 3.69 4.81 -1.26 -4.90 118.16 120.32 1x4f n LYS 21 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1x4f n LYS 21 Cb 0.00 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.17 1x4f n LYS 21 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1x4f n GLN 22 N -2.80 1.83 -3.89 1.64 6.02 -1.26 -4.82 117.38 114.10 1x4f n GLN 22 Ca 0.00 -0.98 -0.11 0.00 -0.01 0.00 0.00 57.00 55.90 1x4f n GLN 22 Cb 0.00 -1.37 -0.11 0.00 1.02 0.00 0.00 30.24 29.78 1x4f n GLN 22 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1x4f s GLU 23 N -1.64 0.35 -0.41 -1.09 -1.05 -1.26 -5.11 118.70 108.48 1x4f s GLU 23 Ca 0.18 -0.32 0.04 0.00 -0.15 0.00 0.00 54.97 54.72 1x4f s GLU 23 Cb 0.11 0.14 0.17 0.00 -0.44 0.00 0.00 34.13 34.10 1x4f s GLU 23 CO 0.10 -0.07 0.40 -0.51 0.95 0.00 0.00 175.26 176.12 1x4f s LEU 24 N -1.04 0.55 0.02 1.83 1.43 -1.26 -4.94 118.68 115.27 1x4f s LEU 24 Ca -0.11 -2.42 -0.30 0.00 -1.03 0.00 0.00 54.13 50.26 1x4f s LEU 24 Cb -0.07 0.18 -0.07 0.00 0.03 0.00 0.00 46.19 46.26 1x4f s LEU 24 CO 0.01 -0.19 1.59 -0.83 0.23 0.00 0.00 176.35 177.16 1x4f s GLY 25 N 0.61 1.63 -0.43 -3.19 0.00 -1.26 -4.84 107.32 99.83 1x4f s GLY 25 Ca 0.27 1.06 -0.10 0.00 0.00 0.00 0.00 44.72 45.94 1x4f s GLY 25 CO -0.11 2.83 0.30 1.09 0.00 0.00 0.00 173.10 177.20 1x4f s ARG 26 N 2.92 2.67 -0.21 2.90 3.03 -1.22 -4.94 118.95 124.09 1x4f s ARG 26 Ca 0.71 -1.47 -0.02 0.00 2.03 0.00 0.00 55.73 56.98 1x4f s ARG 26 Cb -0.36 -3.87 0.07 0.00 -1.03 0.00 0.00 34.95 29.76 1x4f s ARG 26 CO 0.30 -0.99 0.04 0.08 -1.13 0.00 0.00 175.30 173.60 1x4f s VAL 27 N 1.46 0.60 -0.28 4.99 1.01 -1.26 -3.80 120.40 123.12 1x4f s VAL 27 Ca 0.03 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1x4f s VAL 27 Cb -0.24 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1x4f s VAL 27 CO 0.03 -0.27 1.19 -0.63 0.00 0.00 0.00 175.10 175.42 1x4f s ILE 28 N 1.81 4.34 -0.26 2.22 -1.09 0.45 -1.15 121.20 127.52 1x4f s ILE 28 Ca 0.00 1.55 -0.16 0.00 -2.23 0.00 0.00 60.65 59.81 1x4f s ILE 28 Cb -0.17 -4.24 -0.03 0.00 -1.58 0.00 0.00 42.46 36.43 1x4f s ILE 28 CO -0.10 -0.41 0.41 -2.28 -1.23 0.00 0.00 174.94 171.33 1x4f s HIS 29 N 3.89 3.26 -0.31 3.97 5.65 0.11 -0.71 115.29 131.14 1x4f s HIS 29 Ca 0.51 0.48 -0.07 0.00 0.25 0.00 0.00 55.06 56.23 1x4f s HIS 29 Cb -0.16 -2.60 0.02 0.00 -1.18 0.00 0.00 32.58 28.66 1x4f s HIS 29 CO 0.18 -0.22 0.10 -0.51 -0.65 0.00 0.00 174.74 173.63 1x4f s LEU 30 N 2.06 4.02 0.30 8.88 1.43 0.38 -1.26 118.68 134.50 1x4f s LEU 30 Ca 0.17 -0.80 0.08 0.00 -1.03 0.00 0.00 54.13 52.55 1x4f s LEU 30 Cb -0.16 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1x4f s LEU 30 CO 0.10 -0.23 0.14 -0.94 0.23 0.00 0.00 176.35 175.64 1x4f s SER 31 N 1.49 4.91 -1.25 2.29 1.04 0.22 -2.24 113.70 120.16 1x4f s SER 31 Ca 0.02 -0.59 -0.04 0.00 0.48 0.00 0.00 55.95 55.81 1x4f s SER 31 Cb -0.18 -0.93 0.00 0.00 0.10 0.00 0.00 66.02 65.02 1x4f s SER 31 CO 0.03 -0.18 1.07 -3.20 0.98 0.00 0.00 173.24 171.94 1x4f n ASN 32 N -1.13 -4.14 -4.84 7.02 5.15 -1.25 -1.02 115.26 115.07 1x4f n ASN 32 Ca -0.05 -0.57 -0.32 0.00 -0.60 0.00 0.00 54.58 53.04 1x4f n ASN 32 Cb 0.60 -4.98 -0.05 0.00 -0.53 0.00 0.00 39.78 34.82 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 -6.71 3.83 0.00 1.20 1.43 -1.23 -4.21 118.68 112.98 1x4f s LEU 33 Ca 0.28 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 1x4f s LEU 33 Cb -0.12 -4.42 0.00 0.00 0.03 0.00 0.00 46.19 41.68 1x4f s LEU 33 CO 0.71 -0.43 0.00 -0.81 0.23 0.00 0.00 176.35 176.06 1x4f n PRO 34 N -1.02 -0.74 -2.69 1.29 -0.04 -1.26 -4.92 135.00 125.62 1x4f n PRO 34 Ca 0.06 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.46 1x4f n PRO 34 Cb 0.54 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.08 1x4f n PRO 34 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1x4f n HIS 35 N -2.24 -1.69 -1.22 0.54 1.44 -1.26 -4.99 115.22 105.81 1x4f n HIS 35 Ca 0.00 -1.46 -0.07 0.00 -2.01 0.00 0.00 57.72 54.17 1x4f n HIS 35 Cb 0.00 1.43 0.23 0.00 0.12 0.00 0.00 29.99 31.77 1x4f n HIS 35 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1x4f n SER 36 N 0.04 3.67 -1.75 4.39 7.64 -1.26 -4.91 113.62 121.45 1x4f n SER 36 Ca -0.05 -3.47 -0.09 0.00 1.01 0.00 0.00 58.87 56.28 1x4f n SER 36 Cb 0.74 -0.70 0.03 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.77 0.33 3.94 0.23 0.00 -1.26 -5.04 105.19 102.62 1x4f n GLY 37 Ca 0.40 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.13 3.10 0.54 1.61 1.13 -1.26 -5.10 117.35 114.25 1x4f s TYR 38 Ca 0.19 0.37 -0.02 0.00 -1.41 0.00 0.00 57.07 56.20 1x4f s TYR 38 Cb -0.08 -2.73 0.02 0.00 -1.10 0.00 0.00 41.96 38.06 1x4f s TYR 38 CO 0.28 -0.84 0.80 -1.54 -2.51 0.00 0.00 175.55 171.74 1x4f s SER 39 N -4.35 5.49 0.27 -0.18 1.04 -1.26 -4.99 113.70 109.71 1x4f s SER 39 Ca 0.55 0.32 -0.04 0.00 0.48 0.00 0.00 55.95 57.26 1x4f s SER 39 Cb -0.10 -1.33 0.36 0.00 0.10 0.00 0.00 66.02 65.05 1x4f s SER 39 CO 0.42 -1.03 1.92 -2.24 0.98 0.00 0.00 173.24 173.29 1x4f h ASP 40 N 0.04 0.99 -0.67 7.02 2.03 -2.01 -2.63 116.42 121.19 1x4f h ASP 40 Ca -0.45 -0.06 0.13 0.00 -0.73 0.00 0.00 57.03 55.93 1x4f h ASP 40 Cb 1.27 -0.25 -0.10 0.00 -0.83 0.00 0.00 39.33 39.43 1x4f h ASP 40 CO 0.57 0.77 0.17 0.28 -1.03 0.00 0.00 179.24 180.00 1x4f h SER 41 N 1.14 0.04 -0.48 4.15 0.02 -1.97 0.30 113.55 116.74 1x4f h SER 41 Ca 0.30 0.12 0.14 0.00 -0.84 0.00 0.00 61.79 61.51 1x4f h SER 41 Cb -0.04 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1x4f h SER 41 CO -0.05 0.00 0.66 0.00 -1.14 0.00 0.00 176.83 176.30 1x4f h ALA 42 N 1.54 2.21 0.00 3.77 0.00 -1.86 1.25 119.26 126.17 1x4f h ALA 42 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1x4f h ALA 42 Cb 0.57 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1x4f h ALA 42 CO -0.44 -0.91 -1.56 0.28 0.00 0.00 0.00 179.25 176.61 1x4f n VAL 43 N -3.38 0.27 0.07 0.00 0.31 0.10 -4.15 118.33 111.54 1x4f n VAL 43 Ca 0.10 -0.52 0.09 0.00 -0.01 0.00 0.00 64.34 64.00 1x4f n VAL 43 Cb 0.84 -0.14 -0.04 0.00 -0.91 0.00 0.00 33.84 33.59 1x4f n VAL 43 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1x4f n LEU 44 N -2.43 0.70 0.04 7.52 4.77 0.38 -4.04 117.00 123.93 1x4f n LEU 44 Ca -0.02 0.27 0.10 0.00 -0.03 0.00 0.00 56.01 56.33 1x4f n LEU 44 Cb 0.56 -0.02 0.54 0.00 -2.33 0.00 0.00 43.42 42.17 1x4f n LEU 44 CO 0.43 -0.10 1.15 0.07 -1.33 0.00 0.00 177.39 177.61 1x4f h LYS 45 N 0.00 0.28 0.00 3.23 2.10 -0.07 0.89 116.57 123.00 1x4f h LYS 45 Ca -0.03 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1x4f h LYS 45 Cb 1.10 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1x4f h LYS 45 CO 0.01 0.18 0.00 1.47 -2.00 0.00 0.00 179.45 179.11 1x4f n LEU 46 N -4.48 0.00 0.00 7.07 -0.00 -1.26 -3.24 117.00 115.09 1x4f n LEU 46 Ca 0.04 0.12 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 1x4f n LEU 46 Cb 0.24 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 1x4f n LEU 46 CO 0.35 -0.01 -0.40 0.00 -0.00 0.00 0.00 177.39 177.33 1x4f n ALA 47 N -1.12 1.59 0.16 1.47 0.00 0.84 -4.71 120.51 118.74 1x4f n ALA 47 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.46 1x4f n ALA 47 Cb 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.75 0.00 0.00 5.08 0.64 0.22 114.58 119.77 1x4f h GLU 48 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1x4f h GLU 48 Cb 0.01 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1x4f h GLU 48 CO 0.00 -0.50 0.00 -0.35 -1.00 0.00 0.00 179.01 177.16 1x4f n PRO 49 N -5.24 0.49 -0.10 2.33 -0.04 -1.26 -2.61 135.00 128.57 1x4f n PRO 49 Ca -0.09 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.24 1x4f n PRO 49 Cb 0.40 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 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 -3.60 0.54 4.02 -0.14 -5.09 117.16 112.03 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 -0.79 -0.01 0.00 -0.02 0.00 0.00 39.34 38.56 1x4f n TYR 50 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1x4f s GLY 51 N -5.84 -0.35 -0.18 2.72 0.00 0.59 -4.45 107.32 99.81 1x4f s GLY 51 Ca -0.25 1.34 -0.29 0.00 0.00 0.00 0.00 44.72 45.52 1x4f s GLY 51 CO 0.50 0.38 1.67 0.54 0.00 0.00 0.00 173.10 176.19 1x4f s LYS 52 N -2.15 3.83 -0.83 2.90 1.02 -1.26 -4.29 119.74 118.96 1x4f s LYS 52 Ca 0.13 1.81 -0.25 0.00 0.02 0.00 0.00 55.97 57.68 1x4f s LYS 52 Cb 0.03 -4.05 -0.03 0.00 -0.52 0.00 0.00 37.83 33.26 1x4f s LYS 52 CO -0.04 -1.26 1.86 0.42 -0.92 0.00 0.00 175.35 175.41 1x4f s ILE 53 N 5.18 3.47 0.13 2.17 1.09 -1.26 0.73 121.20 132.71 1x4f s ILE 53 Ca 0.74 -0.22 0.24 0.00 -1.10 0.00 0.00 60.65 60.32 1x4f s ILE 53 Cb -0.27 -4.10 0.24 0.00 -1.06 0.00 0.00 42.46 37.27 1x4f s ILE 53 CO 0.30 -1.04 1.83 0.11 -0.10 0.00 0.00 174.94 176.04 1x4f h LYS 54 N 12.15 0.00 -1.62 2.79 6.56 -1.61 -3.46 116.57 131.39 1x4f h LYS 54 Ca -0.01 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.64 1x4f h LYS 54 Cb 1.05 0.00 -0.24 0.00 -0.57 0.00 0.00 32.23 32.47 1x4f h LYS 54 CO 1.23 0.21 0.47 1.21 -2.06 0.00 0.00 179.45 180.52 1x4f s ASN 55 N -6.17 -0.43 0.03 0.86 3.84 -1.15 -5.03 114.94 106.88 1x4f s ASN 55 Ca 0.01 0.62 -0.04 0.00 0.21 0.00 0.00 52.86 53.66 1x4f s ASN 55 Cb 0.10 0.56 -0.01 0.00 -0.55 0.00 0.00 41.25 41.35 1x4f s ASN 55 CO 0.63 -0.29 0.07 -0.72 -2.79 0.00 0.00 177.10 174.00 1x4f s TYR 56 N -0.59 0.21 -0.11 0.43 1.13 -1.26 0.21 117.35 117.37 1x4f s TYR 56 Ca -0.01 -0.48 -0.02 0.00 -1.41 0.00 0.00 57.07 55.15 1x4f s TYR 56 Cb -0.02 -0.15 0.04 0.00 -1.10 0.00 0.00 41.96 40.72 1x4f s TYR 56 CO -0.01 -0.31 0.01 0.42 -2.51 0.00 0.00 175.55 173.15 1x4f s ILE 57 N -2.22 0.43 -0.61 -3.49 -1.09 0.13 -4.95 121.20 109.39 1x4f s ILE 57 Ca -0.08 -0.07 -0.12 0.00 -2.23 0.00 0.00 60.65 58.16 1x4f s ILE 57 Cb -0.04 -0.68 0.16 0.00 -1.58 0.00 0.00 42.46 40.32 1x4f s ILE 57 CO -0.03 0.14 0.52 -0.76 -1.23 0.00 0.00 174.94 173.58 1x4f s LEU 58 N 1.94 6.07 -0.36 2.97 2.01 -1.26 -0.82 118.68 129.23 1x4f s LEU 58 Ca 0.03 -2.22 -0.14 0.00 0.01 0.00 0.00 54.13 51.81 1x4f s LEU 58 Cb -0.13 -2.10 -0.01 0.00 0.01 0.00 0.00 46.19 43.96 1x4f s LEU 58 CO -0.06 -0.66 0.27 -0.04 1.01 0.00 0.00 176.35 176.86 1x4f s MET 59 N 0.90 3.34 0.23 1.70 -1.94 0.83 -4.93 119.30 119.44 1x4f s MET 59 Ca 0.10 -0.75 0.23 0.00 -1.71 0.00 0.00 55.69 53.56 1x4f s MET 59 Cb -0.22 -3.86 0.08 0.00 2.01 0.00 0.00 34.83 32.84 1x4f s MET 59 CO -0.02 -0.54 1.15 -0.09 -0.01 0.00 0.00 175.02 175.50 1x4f h ARG 60 N 8.53 0.00 0.00 2.03 1.12 -1.96 0.14 114.38 124.24 1x4f h ARG 60 Ca -0.30 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.57 1x4f h ARG 60 Cb 1.15 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 1x4f h ARG 60 CO 0.67 0.00 0.00 -1.33 -3.11 0.00 0.00 179.97 176.20 1x4f n MET 61 N -2.70 0.00 -1.21 0.20 2.81 -1.26 -2.52 117.12 112.44 1x4f n MET 61 Ca 0.01 0.79 -0.21 0.00 -1.81 0.00 0.00 57.70 56.47 1x4f n MET 61 Cb 0.54 -1.39 0.15 0.00 -0.71 0.00 0.00 33.22 31.81 1x4f n MET 61 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1x4f n LYS 62 N -2.37 2.37 -3.68 0.03 4.81 -1.26 -4.95 118.16 113.10 1x4f n LYS 62 Ca 0.00 -3.25 -0.24 0.00 -0.87 0.00 0.00 58.31 53.95 1x4f n LYS 62 Cb 0.00 -2.11 0.01 0.00 0.02 0.00 0.00 35.03 32.95 1x4f n LYS 62 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1x4f n SER 63 N -1.04 -5.37 -3.90 3.14 7.64 -1.05 -4.85 113.62 108.19 1x4f n SER 63 Ca 0.51 -0.86 -0.10 0.00 1.01 0.00 0.00 58.87 59.44 1x4f n SER 63 Cb 1.17 -2.58 -0.09 0.00 -1.01 0.00 0.00 64.21 61.70 1x4f n SER 63 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1x4f s GLN 64 N -5.07 0.62 -0.06 1.43 -0.21 0.49 -3.57 119.66 113.28 1x4f s GLN 64 Ca 0.14 -0.69 -0.14 0.00 0.02 0.00 0.00 55.36 54.69 1x4f s GLN 64 Cb -0.06 0.25 0.03 0.00 1.00 0.00 0.00 33.01 34.22 1x4f s GLN 64 CO 0.88 -0.16 0.34 0.00 -2.12 0.00 0.00 175.29 174.22 1x4f s ALA 65 N -2.50 -0.84 -0.21 6.09 0.00 -0.95 -0.12 121.76 123.23 1x4f s ALA 65 Ca -0.06 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1x4f s ALA 65 Cb -0.02 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 22.97 1x4f s ALA 65 CO -0.04 -0.23 -0.10 -0.06 0.00 0.00 0.00 175.76 175.33 1x4f s PHE 66 N -0.74 2.49 -0.30 0.00 0.08 0.00 -0.47 117.98 119.05 1x4f s PHE 66 Ca -0.08 -1.66 -0.06 0.00 0.12 0.00 0.00 56.93 55.24 1x4f s PHE 66 Cb -0.04 -1.66 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 1x4f s PHE 66 CO 0.03 -0.76 0.07 0.42 -0.10 0.00 0.00 175.22 174.88 1x4f s ILE 67 N 1.37 3.77 -0.53 0.64 1.01 0.11 0.20 121.20 127.76 1x4f s ILE 67 Ca -0.02 -0.85 -0.21 0.00 0.00 0.00 0.00 60.65 59.57 1x4f s ILE 67 Cb -0.17 -2.99 0.06 0.00 0.01 0.00 0.00 42.46 39.37 1x4f s ILE 67 CO -0.08 0.03 0.73 -0.70 0.00 0.00 0.00 174.94 174.92 1x4f s GLU 68 N 1.45 3.17 1.15 2.79 2.12 0.13 -0.41 118.70 129.10 1x4f s GLU 68 Ca 0.01 -0.75 -0.14 0.00 0.36 0.00 0.00 54.97 54.45 1x4f s GLU 68 Cb -0.18 -4.10 0.27 0.00 0.26 0.00 0.00 34.13 30.38 1x4f s GLU 68 CO 0.02 -1.33 1.04 -1.64 -0.54 0.00 0.00 175.26 172.81 1x4f s MET 69 N 3.03 -0.76 0.17 4.30 -1.94 -1.25 -1.96 119.30 120.89 1x4f s MET 69 Ca 0.19 0.58 0.02 0.00 -1.71 0.00 0.00 55.69 54.76 1x4f s MET 69 Cb -0.18 -1.59 0.02 0.00 2.01 0.00 0.00 34.83 35.09 1x4f s MET 69 CO 0.13 -3.55 1.40 1.49 -0.01 0.00 0.00 175.02 174.48 1x4f h GLU 70 N -2.49 0.24 -4.74 2.03 4.81 0.04 -3.40 114.58 111.07 1x4f h GLU 70 Ca -0.58 -0.24 -0.34 0.00 -0.13 0.00 0.00 59.36 58.07 1x4f h GLU 70 Cb 1.34 0.06 -0.24 0.00 0.63 0.00 0.00 28.75 30.54 1x4f h GLU 70 CO 0.51 0.95 -0.76 0.95 -0.73 0.00 0.00 179.01 179.92 1x4f s THR 71 N -3.32 0.69 0.36 0.32 -4.23 -1.26 -5.00 115.64 103.21 1x4f s THR 71 Ca -0.04 -0.84 0.11 0.00 -1.18 0.00 0.00 61.69 59.74 1x4f s THR 71 Cb 0.10 -0.67 0.33 0.00 1.34 0.00 0.00 72.50 73.61 1x4f s THR 71 CO 0.83 -0.14 1.85 -0.09 -0.54 0.00 0.00 174.62 176.53 1x4f h ARG 72 N 5.00 0.61 0.18 3.99 9.65 -1.88 -2.40 114.38 129.53 1x4f h ARG 72 Ca -0.35 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.51 1x4f h ARG 72 Cb 1.19 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 29.59 1x4f h ARG 72 CO 0.44 0.41 -0.53 0.93 2.80 0.00 0.00 179.97 184.01 1x4f h GLU 73 N 0.63 -0.77 0.00 0.20 4.39 -1.98 -0.58 114.58 116.47 1x4f h GLU 73 Ca 0.47 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.22 1x4f h GLU 73 Cb 0.85 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1x4f h GLU 73 CO -0.22 -0.51 0.00 -0.25 -1.16 0.00 0.00 179.01 176.87 1x4f n ASP 74 N -5.50 0.00 -0.33 1.42 8.00 -0.91 -0.07 116.55 119.16 1x4f n ASP 74 Ca -0.09 0.94 0.18 0.00 0.71 0.00 0.00 54.79 56.53 1x4f n ASP 74 Cb 0.42 -0.44 0.35 0.00 -0.02 0.00 0.00 41.12 41.43 1x4f n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x4f h ALA 75 N -1.36 1.39 -0.63 2.24 0.00 -1.52 1.25 119.26 120.62 1x4f h ALA 75 Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1x4f h ALA 75 Cb 0.00 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1x4f h ALA 75 CO 0.00 -0.63 0.24 0.52 0.00 0.00 0.00 179.25 179.38 1x4f h MET 76 N 0.04 0.94 -0.12 0.00 2.86 0.28 -2.23 114.93 116.69 1x4f h MET 76 Ca 0.64 -0.16 -0.09 0.00 -2.06 0.00 0.00 59.70 58.04 1x4f h MET 76 Cb 1.42 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 1x4f h MET 76 CO -0.85 0.78 -0.31 0.00 1.06 0.00 0.00 176.91 177.58 1x4f h ALA 77 N 1.34 1.25 0.45 6.32 0.00 0.51 -2.50 119.26 126.63 1x4f h ALA 77 Ca 0.21 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1x4f h ALA 77 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1x4f h ALA 77 CO -0.02 0.51 -0.21 1.98 0.00 0.00 0.00 179.25 181.51 1x4f h MET 78 N 0.21 -0.58 -0.84 0.00 4.05 -0.58 0.14 114.93 117.33 1x4f h MET 78 Ca 0.03 0.04 0.23 0.00 -0.28 0.00 0.00 59.70 59.72 1x4f h MET 78 Cb 0.66 0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 31.56 1x4f h MET 78 CO 0.05 -0.38 0.59 -0.39 0.23 0.00 0.00 176.91 177.01 1x4f h VAL 79 N -0.83 0.60 0.00 -5.77 -1.51 -1.52 -0.95 116.25 106.28 1x4f h VAL 79 Ca -0.06 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.34 1x4f h VAL 79 Cb 0.46 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 1x4f h VAL 79 CO 0.10 0.02 -0.15 -0.78 -1.23 0.00 0.00 177.57 175.53 1x4f h ASP 80 N 0.08 0.13 0.00 4.19 1.82 -1.39 -3.17 116.42 118.09 1x4f h ASP 80 Ca 0.41 -0.80 0.00 0.00 -0.39 0.00 0.00 57.03 56.25 1x4f h ASP 80 Cb 1.49 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.46 1x4f h ASP 80 CO -0.04 0.91 0.18 -0.74 -1.61 0.00 0.00 179.24 177.94 1x4f h HIS 81 N -0.63 0.00 0.00 0.28 2.76 0.66 0.44 115.15 118.66 1x4f h HIS 81 Ca -0.02 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.03 1x4f h HIS 81 Cb 0.93 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.87 1x4f h HIS 81 CO 0.19 0.00 -0.92 0.00 -1.30 0.00 0.00 177.93 175.90 1x4f h LEU 83 N 0.00 0.35 0.10 0.00 3.38 -0.14 -3.31 115.31 115.68 1x4f h LEU 83 Ca -0.07 -0.45 -0.19 0.00 0.09 0.00 0.00 57.88 57.26 1x4f h LEU 83 Cb 1.42 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 42.10 1x4f h LEU 83 CO 0.05 0.72 -0.80 0.11 0.09 0.00 0.00 178.44 178.61 1x4f h LYS 84 N -0.02 0.36 -6.65 1.13 6.56 -1.68 -3.46 116.57 112.82 1x4f h LYS 84 Ca 0.03 -0.53 -0.69 0.00 -1.06 0.00 0.00 60.65 58.41 1x4f h LYS 84 Cb 0.61 0.18 -0.22 0.00 -0.57 0.00 0.00 32.23 32.23 1x4f h LYS 84 CO 0.03 1.22 -0.82 0.15 -2.06 0.00 0.00 179.45 177.97 1x4f s LYS 85 N -2.71 1.93 -0.40 3.15 -0.14 -0.93 -5.09 119.74 115.55 1x4f s LYS 85 Ca -0.13 -1.06 -0.28 0.00 -1.36 0.00 0.00 55.97 53.14 1x4f s LYS 85 Cb 0.02 -2.13 0.02 0.00 -1.68 0.00 0.00 37.83 34.07 1x4f s LYS 85 CO 0.84 0.52 1.06 0.00 -0.76 0.00 0.00 175.35 177.01 1x4f s ALA 86 N -0.96 3.34 -0.30 5.17 0.00 -1.26 -3.78 121.76 123.97 1x4f s ALA 86 Ca 0.15 -0.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 1x4f s ALA 86 Cb -0.10 -3.73 -0.00 0.00 0.00 0.00 0.00 23.12 19.28 1x4f s ALA 86 CO 0.06 -1.83 1.37 -1.17 0.00 0.00 0.00 175.76 174.18 1x4f s LEU 87 N 3.94 3.85 -0.19 0.00 0.20 -1.26 -5.00 118.68 120.21 1x4f s LEU 87 Ca 0.45 1.23 -0.04 0.00 0.69 0.00 0.00 54.13 56.46 1x4f s LEU 87 Cb -0.10 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.10 1x4f s LEU 87 CO 0.23 -1.16 -0.02 0.26 -0.29 0.00 0.00 176.35 175.38 1x4f s TRP 88 N 4.65 3.02 -0.22 5.38 0.52 -1.26 -3.41 118.94 127.62 1x4f s TRP 88 Ca 0.60 -0.46 0.02 0.00 0.02 0.00 0.00 56.10 56.27 1x4f s TRP 88 Cb -0.18 -2.05 0.04 0.00 -1.15 0.00 0.00 33.47 30.13 1x4f s TRP 88 CO 0.25 -0.22 -0.15 0.12 0.02 0.00 0.00 176.95 176.98 1x4f s PHE 89 N 0.87 3.01 -0.81 -1.98 5.36 -0.18 -4.65 117.98 119.60 1x4f s PHE 89 Ca 0.00 -1.99 0.00 0.00 -0.96 0.00 0.00 56.93 53.98 1x4f s PHE 89 Cb -0.14 -1.91 0.00 0.00 -0.34 0.00 0.00 43.02 40.63 1x4f s PHE 89 CO 0.02 -0.84 0.00 1.04 -1.46 0.00 0.00 175.22 173.98 1x4f n GLN 90 N 4.53 -1.68 -0.28 10.12 1.13 -1.26 -1.71 117.38 128.23 1x4f n GLN 90 Ca -0.17 0.75 0.00 0.00 -1.94 0.00 0.00 57.00 55.64 1x4f n GLN 90 Cb 0.46 -5.13 0.00 0.00 0.11 0.00 0.00 30.24 25.68 1x4f n GLN 90 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x4f n GLY 91 N 0.25 1.64 2.97 1.08 0.00 -1.26 -5.11 105.19 104.76 1x4f n GLY 91 Ca -0.08 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.26 0.44 -0.31 1.61 0.52 -0.69 -5.04 118.95 114.22 1x4f s ARG 92 Ca 0.00 -0.25 -0.06 0.00 -0.52 0.00 0.00 55.73 54.89 1x4f s ARG 92 Cb 0.00 -0.40 -0.21 0.00 0.52 0.00 0.00 34.95 34.87 1x4f s ARG 92 CO 0.00 0.11 3.17 0.00 0.02 0.00 0.00 175.30 178.60 1x4f n VAL 94 N 2.81 2.13 -3.51 0.00 3.14 -1.22 -4.95 118.33 116.72 1x4f n VAL 94 Ca 0.45 -0.50 -0.37 0.00 -2.96 0.00 0.00 64.34 60.96 1x4f n VAL 94 Cb 0.69 -1.08 -0.08 0.00 -1.06 0.00 0.00 33.84 32.31 1x4f n VAL 94 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1x4f s LYS 95 N -1.74 4.15 -0.32 1.45 1.02 -0.18 -4.67 119.74 119.44 1x4f s LYS 95 Ca 0.60 0.01 -0.00 0.00 0.02 0.00 0.00 55.97 56.60 1x4f s LYS 95 Cb -0.63 -3.52 0.07 0.00 -0.52 0.00 0.00 37.83 33.23 1x4f s LYS 95 CO 0.59 0.04 0.03 0.54 -0.92 0.00 0.00 175.35 175.63 1x4f s VAL 96 N 1.08 2.78 0.04 3.17 0.11 -1.26 -0.61 120.40 125.72 1x4f s VAL 96 Ca 0.14 -1.71 0.03 0.00 -2.93 0.00 0.00 61.98 57.51 1x4f s VAL 96 Cb -0.14 -2.74 -0.02 0.00 -1.53 0.00 0.00 36.38 31.95 1x4f s VAL 96 CO 0.06 -0.28 -0.09 -1.81 -3.33 0.00 0.00 175.10 169.65 1x4f s ASP 97 N 1.28 1.06 0.03 3.54 1.11 -0.39 -4.32 116.67 118.98 1x4f s ASP 97 Ca -0.01 -0.50 -0.30 0.00 0.18 0.00 0.00 52.55 51.92 1x4f s ASP 97 Cb -0.20 -0.01 -0.05 0.00 1.07 0.00 0.00 42.92 43.73 1x4f s ASP 97 CO -0.03 -0.13 1.22 -0.76 1.18 0.00 0.00 175.17 176.65 1x4f s LEU 98 N -1.39 4.34 0.12 1.23 1.02 -1.26 0.05 118.68 122.79 1x4f s LEU 98 Ca -0.06 1.98 0.05 0.00 0.02 0.00 0.00 54.13 56.12 1x4f s LEU 98 Cb -0.09 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.51 1x4f s LEU 98 CO 0.01 -0.53 0.03 -0.44 0.02 0.00 0.00 176.35 175.44 1x4f s SER 99 N 1.25 5.11 -0.03 2.29 0.01 -0.30 -4.85 113.70 117.18 1x4f s SER 99 Ca 0.59 -0.20 -0.07 0.00 1.31 0.00 0.00 55.95 57.57 1x4f s SER 99 Cb -0.29 -1.23 -0.29 0.00 0.21 0.00 0.00 66.02 64.42 1x4f s SER 99 CO 0.27 0.13 0.75 -0.08 0.41 0.00 0.00 173.24 174.72 1x4f h GLU 100 N 3.04 0.33 -6.22 12.44 4.57 -1.92 -3.37 114.58 123.45 1x4f h GLU 100 Ca -0.47 -0.57 -0.68 0.00 -1.18 0.00 0.00 59.36 56.46 1x4f h GLU 100 Cb 1.18 0.21 0.08 0.00 -0.16 0.00 0.00 28.75 30.06 1x4f h GLU 100 CO 0.61 1.22 0.09 1.17 -1.18 0.00 0.00 179.01 180.92 1x4f n LYS 101 N -3.52 0.76 -1.55 1.92 3.00 -1.26 -4.53 118.16 112.98 1x4f n LYS 101 Ca -0.21 0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1x4f n LYS 101 Cb 1.06 -1.68 -0.00 0.00 0.00 0.00 0.00 35.03 34.41 1x4f n LYS 101 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1x4f n TYR 102 N 1.21 -4.23 -0.06 5.64 4.01 -1.26 -4.88 117.16 117.58 1x4f n TYR 102 Ca 0.16 2.29 -0.07 0.00 -0.16 0.00 0.00 57.90 60.13 1x4f n TYR 102 Cb 0.22 -3.57 -0.08 0.00 -0.31 0.00 0.00 39.34 35.60 1x4f n TYR 102 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1x4f n LYS 103 N -2.61 1.67 0.00 -0.72 4.81 -1.26 -4.76 118.16 115.29 1x4f n LYS 103 Ca -0.00 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1x4f n LYS 103 Cb 0.48 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.24 1x4f n LYS 103 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1x4f n LYS 104 N -2.56 0.00 -2.63 1.64 5.02 -1.26 -3.42 118.16 114.95 1x4f n LYS 104 Ca -0.20 -0.37 -0.05 0.00 -2.02 0.00 0.00 58.31 55.66 1x4f n LYS 104 Cb 0.84 -0.38 0.01 0.00 -0.02 0.00 0.00 35.03 35.48 1x4f n LYS 104 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1x4f n LEU 105 N 0.00 -6.69 0.00 -0.35 4.77 -1.26 -4.77 117.00 108.69 1x4f n LEU 105 Ca 0.00 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1x4f n LEU 105 Cb 0.50 -2.95 0.00 0.00 -2.33 0.00 0.00 43.42 38.64 1x4f n LEU 105 CO 0.00 -1.75 0.00 0.55 -1.33 0.00 0.00 177.39 174.86 1x4f n VAL 106 N -0.57 0.00 -1.91 4.08 3.14 -1.26 -4.97 118.33 116.83 1x4f n VAL 106 Ca 0.08 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.46 1x4f n VAL 106 Cb 0.40 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.17 1x4f n VAL 106 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1x4f n SER 107 N -1.77 -3.61 -2.77 6.55 2.88 -1.26 -5.08 113.62 108.56 1x4f n SER 107 Ca 0.00 0.50 -0.03 0.00 -1.33 0.00 0.00 58.87 58.01 1x4f n SER 107 Cb 0.00 -2.51 0.02 0.00 -0.75 0.00 0.00 64.21 60.97 1x4f n SER 107 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4f s GLY 108 N -0.51 -1.48 -0.02 0.46 0.00 -1.26 -5.13 107.32 99.38 1x4f s GLY 108 Ca -0.02 0.02 -0.30 0.00 0.00 0.00 0.00 44.72 44.42 1x4f s GLY 108 CO 0.27 3.89 1.47 2.56 0.00 0.00 0.00 173.10 181.30 1x4f s PRO 109 N 1.03 4.25 1.21 2.90 0.04 -1.26 -5.00 135.00 138.16 1x4f s PRO 109 Ca 0.26 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.19 1x4f s PRO 109 Cb 0.04 -3.68 0.28 0.00 0.04 0.00 0.00 34.50 31.17 1x4f s PRO 109 CO -0.07 -0.67 0.83 -1.13 0.04 0.00 0.00 177.00 176.00 1x4f n SER 110 N 5.89 -2.12 -2.40 6.66 3.41 -1.26 -4.89 113.62 118.92 1x4f n SER 110 Ca 0.14 -0.24 -0.30 0.00 -0.26 0.00 0.00 58.87 58.22 1x4f n SER 110 Cb 0.43 -1.18 0.03 0.00 -0.26 0.00 0.00 64.21 63.23 1x4f n SER 110 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x4f n SER 111 N -4.52 7.08 -0.76 4.04 3.41 -1.26 -5.33 113.62 116.28 1x4f n SER 111 Ca 0.02 -3.49 0.13 0.00 -0.26 0.00 0.00 58.87 55.27 1x4f n SER 111 Cb 0.56 -1.08 0.27 0.00 -0.26 0.00 0.00 64.21 63.70 1x4f n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49