#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 2.18 0.26 1.61 0.01 -1.26 -5.18 113.70 111.31 1x4f s SER 2 Ca 0.00 -1.69 0.02 0.00 1.31 0.00 0.00 55.95 55.59 1x4f s SER 2 Cb 0.00 0.51 -0.03 0.00 0.21 0.00 0.00 66.02 66.71 1x4f s SER 2 CO 0.00 -0.98 0.22 -0.94 0.41 0.00 0.00 173.24 171.95 1x4f s SER 3 N -3.48 0.77 0.00 2.44 1.04 -1.26 -5.18 113.70 108.02 1x4f s SER 3 Ca 0.32 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1x4f s SER 3 Cb 0.03 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1x4f s SER 3 CO 0.20 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1x4f n GLY 4 N -0.42 1.70 3.65 7.32 0.00 -1.26 -5.15 105.19 111.03 1x4f n GLY 4 Ca 0.04 -1.81 -0.00 0.00 0.00 0.00 0.00 46.02 44.24 1x4f n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4f s SER 5 N -1.00 -0.23 0.80 1.61 1.04 -1.26 -5.17 113.70 109.48 1x4f s SER 5 Ca 0.00 0.38 -0.12 0.00 0.48 0.00 0.00 55.95 56.70 1x4f s SER 5 Cb 0.00 0.99 0.07 0.00 0.10 0.00 0.00 66.02 67.18 1x4f s SER 5 CO 0.00 -0.06 1.10 -0.55 0.98 0.00 0.00 173.24 174.71 1x4f s SER 6 N 1.01 4.53 -0.31 7.02 0.15 -1.26 -5.07 113.70 119.77 1x4f s SER 6 Ca -0.06 1.22 0.02 0.00 0.70 0.00 0.00 55.95 57.82 1x4f s SER 6 Cb -0.03 -1.94 0.19 0.00 -1.71 0.00 0.00 66.02 62.54 1x4f s SER 6 CO -0.12 -1.94 0.72 -0.83 1.20 0.00 0.00 173.24 172.28 1x4f s GLY 7 N -4.02 -1.21 -0.23 9.45 0.00 -1.26 -5.13 107.32 104.93 1x4f s GLY 7 Ca 0.61 1.20 -0.03 0.00 0.00 0.00 0.00 44.72 46.50 1x4f s GLY 7 CO 0.53 3.81 0.35 0.54 0.00 0.00 0.00 173.10 178.34 1x4f s LYS 8 N 2.69 0.31 0.02 2.90 -0.14 -1.26 -5.15 119.74 119.12 1x4f s LYS 8 Ca 0.15 0.52 0.03 0.00 -1.36 0.00 0.00 55.97 55.31 1x4f s LYS 8 Cb -0.07 -0.53 -0.02 0.00 -1.68 0.00 0.00 37.83 35.54 1x4f s LYS 8 CO -0.22 -0.61 -0.09 -1.59 -0.76 0.00 0.00 175.35 172.08 1x4f s LYS 9 N 2.51 0.61 -1.16 1.68 0.00 -1.26 -5.07 119.74 117.05 1x4f s LYS 9 Ca 0.10 -0.56 -0.23 0.00 0.00 0.00 0.00 55.97 55.29 1x4f s LYS 9 Cb -0.15 -0.51 -0.08 0.00 0.00 0.00 0.00 37.83 37.08 1x4f s LYS 9 CO -0.15 0.12 1.93 -1.25 0.00 0.00 0.00 175.35 176.01 1x4f s PRO 10 N -0.94 2.51 -0.72 1.78 0.04 -1.26 -4.76 135.00 131.65 1x4f s PRO 10 Ca -0.03 -1.08 -0.02 0.00 0.04 0.00 0.00 61.00 59.92 1x4f s PRO 10 Cb -0.07 -5.23 0.42 0.00 0.04 0.00 0.00 34.50 29.67 1x4f s PRO 10 CO 0.00 -3.91 2.04 0.39 0.04 0.00 0.00 177.00 175.56 1x4f n GLU 11 N 8.35 2.71 -0.10 4.56 1.02 -1.26 -4.55 120.64 131.36 1x4f n GLU 11 Ca 0.44 -3.35 -0.17 0.00 -0.02 0.00 0.00 57.16 54.06 1x4f n GLU 11 Cb 0.47 -2.28 -0.08 0.00 -0.02 0.00 0.00 31.44 29.52 1x4f n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x4f n GLY 12 N -0.82 -0.85 3.78 0.62 0.00 -1.26 -4.93 105.19 101.72 1x4f n GLY 12 Ca 0.61 0.02 -0.37 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.34 4.18 1.05 1.61 3.01 -1.26 -5.04 119.74 120.94 1x4f s LYS 13 Ca -0.25 1.60 -0.14 0.00 -1.01 0.00 0.00 55.97 56.17 1x4f s LYS 13 Cb 0.05 -2.62 0.21 0.00 -1.01 0.00 0.00 37.83 34.47 1x4f s LYS 13 CO 0.48 -0.15 1.10 -1.25 0.51 0.00 0.00 175.35 176.03 1x4f s PRO 14 N -2.37 0.01 -0.26 -1.68 0.04 -1.26 -5.06 135.00 124.42 1x4f s PRO 14 Ca 0.57 0.37 -0.03 0.00 0.04 0.00 0.00 61.00 61.94 1x4f s PRO 14 Cb -0.24 -1.70 0.09 0.00 0.04 0.00 0.00 34.50 32.68 1x4f s PRO 14 CO 0.31 -2.98 0.10 0.34 0.04 0.00 0.00 177.00 174.81 1x4f s ASP 15 N -3.54 3.37 -0.08 6.66 -1.08 -1.26 -5.13 116.67 115.60 1x4f s ASP 15 Ca 0.67 -1.19 0.01 0.00 -0.52 0.00 0.00 52.55 51.51 1x4f s ASP 15 Cb -0.17 -0.47 -0.03 0.00 -1.46 0.00 0.00 42.92 40.79 1x4f s ASP 15 CO 0.57 -0.40 -0.08 -1.10 0.52 0.00 0.00 175.17 174.68 1x4f s GLN 16 N 1.97 2.87 0.00 4.34 -0.21 -1.26 -4.98 119.66 122.39 1x4f s GLN 16 Ca 0.07 -0.58 0.00 0.00 0.02 0.00 0.00 55.36 54.87 1x4f s GLN 16 Cb -0.16 -2.60 0.00 0.00 1.00 0.00 0.00 33.01 31.25 1x4f s GLN 16 CO -0.26 0.57 0.00 1.17 -2.12 0.00 0.00 175.29 174.65 1x4f n LYS 17 N 2.49 0.00 -3.64 2.91 4.81 -1.26 -5.17 118.16 118.31 1x4f n LYS 17 Ca -0.18 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.21 1x4f n LYS 17 Cb 0.53 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.51 1x4f n LYS 17 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 1x4f s PHE 18 N 0.00 -0.76 -0.10 5.64 -0.71 -1.26 -4.92 117.98 115.87 1x4f s PHE 18 Ca 0.00 1.56 0.05 0.00 -1.04 0.00 0.00 56.93 57.50 1x4f s PHE 18 Cb 0.00 0.45 -0.10 0.00 -1.21 0.00 0.00 43.02 42.16 1x4f s PHE 18 CO 0.00 -0.37 -0.03 -0.40 -1.34 0.00 0.00 175.22 173.07 1x4f n ASP 19 N 3.70 2.90 0.03 1.98 5.75 -1.26 -5.03 116.55 124.63 1x4f n ASP 19 Ca -0.18 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 1x4f n ASP 19 Cb 0.58 0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.95 1x4f n ASP 19 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1x4f n GLN 20 N -2.59 0.00 -2.18 0.11 7.27 -1.26 -5.00 117.38 113.74 1x4f n GLN 20 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.89 1x4f n GLN 20 Cb 0.76 0.00 0.04 0.00 2.41 0.00 0.00 30.24 33.46 1x4f n GLN 20 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1x4f n LYS 21 N -2.64 1.20 -3.05 3.69 5.02 -1.26 -5.05 118.16 116.08 1x4f n LYS 21 Ca 0.00 -2.98 -0.43 0.00 -2.02 0.00 0.00 58.31 52.88 1x4f n LYS 21 Cb 0.00 -1.05 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 1x4f n LYS 21 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1x4f s GLN 22 N -2.34 3.20 -0.21 1.97 0.74 -1.26 -4.64 119.66 117.11 1x4f s GLN 22 Ca 0.32 -0.67 -0.05 0.00 0.05 0.00 0.00 55.36 55.00 1x4f s GLN 22 Cb 0.35 -4.08 0.02 0.00 1.10 0.00 0.00 33.01 30.40 1x4f s GLN 22 CO -0.08 -1.31 0.11 0.39 -0.55 0.00 0.00 175.29 173.84 1x4f n GLU 23 N 6.61 -3.43 0.15 1.67 1.02 -1.26 -4.74 120.64 120.67 1x4f n GLU 23 Ca -0.04 2.72 0.00 0.00 -0.02 0.00 0.00 57.16 59.83 1x4f n GLU 23 Cb 0.46 -4.56 0.20 0.00 -0.02 0.00 0.00 31.44 27.51 1x4f n GLU 23 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1x4f h LEU 24 N 3.00 0.00 -2.20 -4.62 4.07 -1.95 -3.49 115.31 110.11 1x4f h LEU 24 Ca -0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1x4f h LEU 24 Cb 0.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.29 1x4f h LEU 24 CO 0.05 0.57 0.00 0.61 -1.08 0.00 0.00 178.44 178.59 1x4f n GLY 25 N 0.31 -2.44 3.14 0.83 0.00 -1.26 -4.97 105.19 100.79 1x4f n GLY 25 Ca -0.01 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1x4f n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4f s ARG 26 N -1.35 2.13 -0.17 1.61 0.52 -1.17 -4.89 118.95 115.63 1x4f s ARG 26 Ca 0.00 -1.63 -0.03 0.00 -0.52 0.00 0.00 55.73 53.55 1x4f s ARG 26 Cb 0.00 -3.45 0.06 0.00 0.52 0.00 0.00 34.95 32.08 1x4f s ARG 26 CO 0.00 -0.92 0.04 0.08 0.02 0.00 0.00 175.30 174.52 1x4f s VAL 27 N 1.18 0.43 -0.16 3.52 1.01 -1.26 -3.86 120.40 121.26 1x4f s VAL 27 Ca 0.04 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 1x4f s VAL 27 Cb -0.22 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1x4f s VAL 27 CO -0.03 -0.15 1.20 -0.63 0.00 0.00 0.00 175.10 175.49 1x4f s ILE 28 N 1.91 4.38 -0.40 2.22 -1.09 -0.10 -0.98 121.20 127.14 1x4f s ILE 28 Ca 0.00 1.68 -0.20 0.00 -2.23 0.00 0.00 60.65 59.90 1x4f s ILE 28 Cb -0.16 -4.08 0.01 0.00 -1.58 0.00 0.00 42.46 36.65 1x4f s ILE 28 CO -0.08 -0.12 0.59 -2.28 -1.23 0.00 0.00 174.94 171.82 1x4f s HIS 29 N 3.16 3.12 -0.39 3.97 2.46 0.13 -2.04 115.29 125.70 1x4f s HIS 29 Ca 0.52 0.03 -0.07 0.00 0.47 0.00 0.00 55.06 56.01 1x4f s HIS 29 Cb -0.21 -3.16 0.07 0.00 -0.13 0.00 0.00 32.58 29.16 1x4f s HIS 29 CO 0.14 -0.73 0.19 -0.51 -2.47 0.00 0.00 174.74 171.36 1x4f s LEU 30 N 2.62 4.88 0.19 8.88 1.43 -0.83 -1.28 118.68 134.56 1x4f s LEU 30 Ca 0.21 -1.49 0.08 0.00 -1.03 0.00 0.00 54.13 51.89 1x4f s LEU 30 Cb -0.15 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1x4f s LEU 30 CO 0.16 -0.47 -0.01 -0.44 0.23 0.00 0.00 176.35 175.82 1x4f s SER 31 N 1.83 4.66 -0.46 2.29 0.01 -0.25 -2.49 113.70 119.30 1x4f s SER 31 Ca 0.02 -0.46 -0.00 0.00 1.31 0.00 0.00 55.95 56.82 1x4f s SER 31 Cb -0.22 -0.95 -0.00 0.00 0.21 0.00 0.00 66.02 65.06 1x4f s SER 31 CO 0.01 0.08 0.38 -3.20 0.41 0.00 0.00 173.24 170.92 1x4f n ASN 32 N -0.21 -2.19 -4.89 2.44 5.15 -1.23 -0.37 115.26 113.95 1x4f n ASN 32 Ca -0.09 -0.24 -0.32 0.00 -0.60 0.00 0.00 54.58 53.32 1x4f n ASN 32 Cb 0.56 -2.28 -0.05 0.00 -0.53 0.00 0.00 39.78 37.48 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 -3.70 4.27 0.00 1.20 1.43 -1.11 -3.93 118.68 116.84 1x4f s LEU 33 Ca 0.02 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 1x4f s LEU 33 Cb -0.00 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1x4f s LEU 33 CO 0.28 0.06 0.00 -0.81 0.23 0.00 0.00 176.35 176.11 1x4f n PRO 34 N 0.22 0.11 -2.58 1.29 -0.04 -1.26 -4.82 135.00 127.91 1x4f n PRO 34 Ca -0.03 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.38 1x4f n PRO 34 Cb 0.52 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.06 1x4f n PRO 34 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1x4f n HIS 35 N -1.39 -1.69 0.48 0.54 -0.00 -1.26 -4.97 115.22 106.93 1x4f n HIS 35 Ca 0.00 -1.43 0.02 0.00 0.46 0.00 0.00 57.72 56.77 1x4f n HIS 35 Cb 0.00 1.41 0.12 0.00 -0.12 0.00 0.00 29.99 31.40 1x4f n HIS 35 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1x4f n SER 36 N -0.73 2.33 -1.46 0.26 7.64 -1.26 -4.83 113.62 115.58 1x4f n SER 36 Ca -0.12 -2.26 -0.07 0.00 1.01 0.00 0.00 58.87 57.43 1x4f n SER 36 Cb 0.78 -0.54 0.02 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.20 0.49 3.95 0.23 0.00 -1.26 -5.05 105.19 103.75 1x4f n GLY 37 Ca 0.08 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.10 2.85 0.42 1.61 -0.85 -1.26 -5.10 117.35 111.92 1x4f s TYR 38 Ca 0.18 0.20 -0.01 0.00 -0.52 0.00 0.00 57.07 56.92 1x4f s TYR 38 Cb -0.08 -2.98 -0.03 0.00 0.38 0.00 0.00 41.96 39.25 1x4f s TYR 38 CO 0.22 -1.17 0.66 0.45 -1.52 0.00 0.00 175.55 174.20 1x4f s SER 39 N -4.48 6.15 0.24 -0.18 0.15 -1.26 -4.99 113.70 109.33 1x4f s SER 39 Ca 0.59 0.56 -0.05 0.00 0.70 0.00 0.00 55.95 57.75 1x4f s SER 39 Cb -0.10 -1.97 0.40 0.00 -1.71 0.00 0.00 66.02 62.64 1x4f s SER 39 CO 0.42 -0.50 1.77 -2.24 1.20 0.00 0.00 173.24 173.89 1x4f h ASP 40 N 0.48 0.48 -0.81 5.45 2.03 -2.01 -1.59 116.42 120.45 1x4f h ASP 40 Ca -0.48 0.07 0.20 0.00 -0.73 0.00 0.00 57.03 56.09 1x4f h ASP 40 Cb 1.22 -0.01 -0.13 0.00 -0.83 0.00 0.00 39.33 39.59 1x4f h ASP 40 CO 0.60 0.25 0.16 0.28 -1.03 0.00 0.00 179.24 179.51 1x4f h SER 41 N 0.61 -0.08 -0.79 4.15 0.02 -1.98 0.69 113.55 116.18 1x4f h SER 41 Ca 0.39 0.18 0.23 0.00 -0.84 0.00 0.00 61.79 61.75 1x4f h SER 41 Cb 0.46 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 1x4f h SER 41 CO -0.30 -0.12 0.57 0.00 -1.14 0.00 0.00 176.83 175.83 1x4f h ALA 42 N 1.71 2.75 0.00 3.77 0.00 -1.68 0.57 119.26 126.38 1x4f h ALA 42 Ca 0.48 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 1x4f h ALA 42 Cb 0.89 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1x4f h ALA 42 CO -0.61 -0.97 -0.70 0.28 0.00 0.00 0.00 179.25 177.25 1x4f h VAL 43 N 0.00 0.58 0.00 0.00 2.07 0.30 -3.26 116.25 115.94 1x4f h VAL 43 Ca 0.37 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1x4f h VAL 43 Cb 1.50 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 1x4f h VAL 43 CO -0.00 0.33 -0.68 0.18 0.02 0.00 0.00 177.57 177.41 1x4f n LEU 44 N -3.08 0.60 0.22 2.57 4.77 0.16 -3.95 117.00 118.29 1x4f n LEU 44 Ca -0.01 -0.01 0.15 0.00 -0.03 0.00 0.00 56.01 56.11 1x4f n LEU 44 Cb 0.71 -0.18 0.79 0.00 -2.33 0.00 0.00 43.42 42.41 1x4f n LEU 44 CO 0.40 0.09 0.95 0.11 -1.33 0.00 0.00 177.39 177.61 1x4f h LYS 45 N 0.00 0.00 -0.02 3.23 1.57 -0.48 0.35 116.57 121.21 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 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1x4f h LYS 45 CO 0.00 0.00 -0.10 1.47 -0.57 0.00 0.00 179.45 180.25 1x4f n LEU 46 N -2.54 1.99 0.00 2.94 -0.00 -1.25 -4.05 117.00 114.08 1x4f n LEU 46 Ca -0.02 -0.66 0.00 0.00 -0.00 0.00 0.00 56.01 55.33 1x4f n LEU 46 Cb 0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1x4f n LEU 46 CO 0.14 0.34 0.10 0.00 -0.00 0.00 0.00 177.39 177.97 1x4f n ALA 47 N 0.41 1.21 0.41 1.47 0.00 0.75 -4.78 120.51 120.00 1x4f n ALA 47 Ca 0.15 -0.19 -0.16 0.00 0.00 0.00 0.00 53.44 53.24 1x4f n ALA 47 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.03 0.00 0.00 4.39 -0.64 -2.04 114.58 115.26 1x4f h GLU 48 Ca 0.00 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1x4f h GLU 48 Cb 0.18 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1x4f h GLU 48 CO 0.00 -0.68 0.00 -0.35 -1.16 0.00 0.00 179.01 176.82 1x4f n PRO 49 N -5.17 0.47 -0.06 2.33 -0.04 -1.26 -2.52 135.00 128.75 1x4f n PRO 49 Ca -0.13 0.01 -0.16 0.00 -0.04 0.00 0.00 63.50 63.18 1x4f n PRO 49 Cb 0.42 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.01 0.57 0.00 0.54 4.02 -1.06 -5.07 117.16 115.16 1x4f n TYR 50 Ca 0.11 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1x4f n TYR 50 Cb 0.06 -1.08 0.00 0.00 -0.02 0.00 0.00 39.34 38.29 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 1.95 0.52 3.66 2.72 0.00 -0.79 -4.38 105.19 108.87 1x4f n GLY 51 Ca -0.34 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 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 4.14 -0.81 1.61 -0.14 -1.26 -4.44 119.74 116.84 1x4f s LYS 52 Ca 0.00 2.06 -0.25 0.00 -1.36 0.00 0.00 55.97 56.42 1x4f s LYS 52 Cb 0.00 -3.97 -0.03 0.00 -1.68 0.00 0.00 37.83 32.16 1x4f s LYS 52 CO 0.00 -0.89 1.86 0.42 -0.76 0.00 0.00 175.35 175.98 1x4f s ILE 53 N 4.13 3.46 0.02 2.17 1.01 -1.26 -1.01 121.20 129.72 1x4f s ILE 53 Ca 0.71 -0.17 0.25 0.00 0.00 0.00 0.00 60.65 61.43 1x4f s ILE 53 Cb -0.31 -4.09 0.26 0.00 0.01 0.00 0.00 42.46 38.33 1x4f s ILE 53 CO 0.28 -1.04 1.78 0.11 0.00 0.00 0.00 174.94 176.07 1x4f h LYS 54 N 12.38 0.00 -1.37 2.79 6.56 -1.76 -3.46 116.57 131.71 1x4f h LYS 54 Ca -0.03 0.00 0.13 0.00 -1.06 0.00 0.00 60.65 59.69 1x4f h LYS 54 Cb 1.06 0.00 -0.26 0.00 -0.57 0.00 0.00 32.23 32.46 1x4f h LYS 54 CO 1.23 0.19 0.68 1.21 -2.06 0.00 0.00 179.45 180.70 1x4f s ASN 55 N -6.13 -0.25 0.05 0.86 2.47 -1.22 -5.04 114.94 105.68 1x4f s ASN 55 Ca 0.02 0.35 -0.06 0.00 0.42 0.00 0.00 52.86 53.59 1x4f s ASN 55 Cb 0.09 0.31 -0.01 0.00 -1.45 0.00 0.00 41.25 40.19 1x4f s ASN 55 CO 0.64 -0.18 0.10 -0.72 -3.72 0.00 0.00 177.10 173.22 1x4f s TYR 56 N -0.68 0.21 -0.10 0.43 1.13 -1.26 -0.46 117.35 116.62 1x4f s TYR 56 Ca 0.03 -0.55 -0.03 0.00 -1.41 0.00 0.00 57.07 55.12 1x4f s TYR 56 Cb -0.02 -0.15 0.04 0.00 -1.10 0.00 0.00 41.96 40.73 1x4f s TYR 56 CO -0.05 -0.39 0.05 0.42 -2.51 0.00 0.00 175.55 173.06 1x4f s ILE 57 N -2.89 0.13 -0.69 -3.49 -1.09 0.12 -4.95 121.20 108.35 1x4f s ILE 57 Ca -0.03 0.08 -0.13 0.00 -2.23 0.00 0.00 60.65 58.34 1x4f s ILE 57 Cb 0.00 -0.48 0.18 0.00 -1.58 0.00 0.00 42.46 40.59 1x4f s ILE 57 CO -0.06 0.05 0.61 -0.76 -1.23 0.00 0.00 174.94 173.56 1x4f s LEU 58 N 2.06 6.35 -0.15 2.97 2.01 -1.26 -0.68 118.68 129.97 1x4f s LEU 58 Ca 0.04 -2.35 -0.21 0.00 0.01 0.00 0.00 54.13 51.61 1x4f s LEU 58 Cb -0.14 -2.16 -0.03 0.00 0.01 0.00 0.00 46.19 43.87 1x4f s LEU 58 CO -0.06 -0.66 0.64 -0.04 1.01 0.00 0.00 176.35 177.24 1x4f s MET 59 N 0.71 4.29 0.10 1.70 -1.94 0.14 -4.94 119.30 119.35 1x4f s MET 59 Ca 0.12 0.68 0.23 0.00 -1.71 0.00 0.00 55.69 55.00 1x4f s MET 59 Cb -0.19 -3.53 -0.00 0.00 2.01 0.00 0.00 34.83 33.13 1x4f s MET 59 CO -0.04 -0.12 0.98 -2.13 -0.01 0.00 0.00 175.02 173.70 1x4f n ARG 60 N 4.57 0.45 0.00 2.03 0.63 -1.26 -1.83 116.66 121.25 1x4f n ARG 60 Ca -0.02 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1x4f n ARG 60 Cb 0.50 -1.67 0.00 0.00 0.45 0.00 0.00 32.46 31.74 1x4f n ARG 60 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1x4f n MET 61 N -2.27 0.00 -2.01 -0.14 2.81 -1.26 -3.33 117.12 110.92 1x4f n MET 61 Ca 0.00 0.48 -0.32 0.00 -1.81 0.00 0.00 57.70 56.06 1x4f n MET 61 Cb 0.50 -1.13 0.03 0.00 -0.71 0.00 0.00 33.22 31.91 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 -1.33 3.13 -4.19 0.03 5.02 -1.26 -4.92 118.16 114.64 1x4f n LYS 62 Ca 0.00 -3.92 -0.40 0.00 -2.02 0.00 0.00 58.31 51.97 1x4f n LYS 62 Cb 0.00 -2.27 -0.03 0.00 -0.02 0.00 0.00 35.03 32.71 1x4f n LYS 62 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x4f n SER 63 N -0.62 -1.81 -4.33 4.39 7.64 -1.21 -4.72 113.62 112.96 1x4f n SER 63 Ca 0.49 -1.30 -0.19 0.00 1.01 0.00 0.00 58.87 58.89 1x4f n SER 63 Cb 0.59 -1.62 -0.10 0.00 -1.01 0.00 0.00 64.21 62.07 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 -7.44 1.28 -0.05 1.43 -0.21 -0.76 -2.76 119.66 111.15 1x4f s GLN 64 Ca 0.27 -1.52 -0.27 0.00 0.02 0.00 0.00 55.36 53.86 1x4f s GLN 64 Cb -0.15 -1.10 0.06 0.00 1.00 0.00 0.00 33.01 32.81 1x4f s GLN 64 CO 0.99 0.19 0.59 0.00 -2.12 0.00 0.00 175.29 174.93 1x4f s ALA 65 N -2.78 -1.52 -0.18 6.09 0.00 -1.04 0.23 121.76 122.58 1x4f s ALA 65 Ca 0.20 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.25 1x4f s ALA 65 Cb -0.02 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.12 1x4f s ALA 65 CO 0.06 -0.34 -0.16 -0.06 0.00 0.00 0.00 175.76 175.26 1x4f s PHE 66 N -1.17 2.56 -0.32 0.00 0.08 0.14 -1.96 117.98 117.31 1x4f s PHE 66 Ca -0.11 -1.54 -0.04 0.00 0.12 0.00 0.00 56.93 55.35 1x4f s PHE 66 Cb -0.01 -1.77 0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1x4f s PHE 66 CO 0.08 -0.76 0.05 0.42 -0.10 0.00 0.00 175.22 174.92 1x4f s ILE 67 N 1.36 3.46 -0.52 0.64 1.01 -0.87 0.14 121.20 126.42 1x4f s ILE 67 Ca 0.03 -1.18 -0.24 0.00 0.00 0.00 0.00 60.65 59.27 1x4f s ILE 67 Cb -0.14 -2.94 0.04 0.00 0.01 0.00 0.00 42.46 39.43 1x4f s ILE 67 CO -0.11 -0.11 0.88 -0.70 0.00 0.00 0.00 174.94 174.90 1x4f s GLU 68 N 1.35 3.34 0.94 2.79 2.12 0.40 -0.92 118.70 128.72 1x4f s GLU 68 Ca -0.03 -0.26 -0.11 0.00 0.36 0.00 0.00 54.97 54.93 1x4f s GLU 68 Cb -0.19 -4.02 0.16 0.00 0.26 0.00 0.00 34.13 30.33 1x4f s GLU 68 CO 0.01 -1.36 1.09 -1.64 -0.54 0.00 0.00 175.26 172.82 1x4f s MET 69 N 3.66 0.88 0.26 4.30 -1.94 -1.25 -2.64 119.30 122.56 1x4f s MET 69 Ca 0.29 0.96 0.02 0.00 -1.71 0.00 0.00 55.69 55.26 1x4f s MET 69 Cb -0.13 -1.75 0.34 0.00 2.01 0.00 0.00 34.83 35.30 1x4f s MET 69 CO 0.20 -2.54 1.66 1.49 -0.01 0.00 0.00 175.02 175.82 1x4f h GLU 70 N -1.78 0.46 0.00 2.03 4.81 -1.36 -3.42 114.58 115.32 1x4f h GLU 70 Ca -0.50 -0.21 -0.24 0.00 -0.13 0.00 0.00 59.36 58.28 1x4f h GLU 70 Cb 1.29 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 1x4f h GLU 70 CO 0.51 0.75 -0.23 0.25 -0.73 0.00 0.00 179.01 179.56 1x4f n THR 71 N -4.06 0.00 0.01 0.32 -2.24 -1.26 -5.01 114.28 102.04 1x4f n THR 71 Ca -0.01 -1.20 -0.19 0.00 -2.27 0.00 0.00 64.05 60.38 1x4f n THR 71 Cb 0.47 0.57 -0.14 0.00 -2.10 0.00 0.00 70.33 69.13 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 0.21 -0.99 -0.78 2.43 -1.99 -3.25 114.38 110.01 1x4f h ARG 72 Ca -0.12 -0.37 0.23 0.00 -0.81 0.00 0.00 59.98 58.91 1x4f h ARG 72 Cb 0.59 0.14 -0.12 0.00 -0.42 0.00 0.00 29.97 30.16 1x4f h ARG 72 CO 0.18 1.18 0.58 0.93 -1.51 0.00 0.00 179.97 181.33 1x4f h GLU 73 N -0.52 0.60 0.00 0.20 4.39 -1.98 0.27 114.58 117.55 1x4f h GLU 73 Ca -0.16 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1x4f h GLU 73 Cb 1.52 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1x4f h GLU 73 CO 0.09 0.40 0.00 -0.25 -1.16 0.00 0.00 179.01 178.08 1x4f n ASP 74 N -4.87 0.00 -0.35 1.42 8.00 -1.25 -0.54 116.55 118.97 1x4f n ASP 74 Ca 0.26 0.86 0.25 0.00 0.71 0.00 0.00 54.79 56.87 1x4f n ASP 74 Cb 0.69 -0.48 0.52 0.00 -0.02 0.00 0.00 41.12 41.84 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 -2.00 2.28 -0.15 2.24 0.00 -1.53 0.15 119.26 120.25 1x4f h ALA 75 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1x4f h ALA 75 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1x4f h ALA 75 CO 0.00 -0.74 -0.06 0.52 0.00 0.00 0.00 179.25 178.97 1x4f h MET 76 N 0.35 0.30 -0.05 0.00 2.86 -0.46 -2.72 114.93 115.21 1x4f h MET 76 Ca 0.64 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 58.15 1x4f h MET 76 Cb 1.68 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.33 1x4f h MET 76 CO -0.34 0.61 0.00 0.00 1.06 0.00 0.00 176.91 178.24 1x4f h ALA 77 N 0.68 1.92 0.41 6.32 0.00 0.18 -0.99 119.26 127.77 1x4f h ALA 77 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1x4f h ALA 77 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1x4f h ALA 77 CO 0.02 0.07 -0.19 1.98 0.00 0.00 0.00 179.25 181.12 1x4f h MET 78 N 0.06 -0.52 0.00 0.00 4.05 -1.02 -1.73 114.93 115.77 1x4f h MET 78 Ca 0.02 0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.46 1x4f h MET 78 Cb 0.05 0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1x4f h MET 78 CO 0.00 -0.21 -0.08 -0.39 0.23 0.00 0.00 176.91 176.46 1x4f h VAL 79 N -0.92 0.69 -0.17 -5.77 -1.51 -1.28 -2.42 116.25 104.88 1x4f h VAL 79 Ca -0.06 -0.32 -0.14 0.00 -1.23 0.00 0.00 66.70 64.96 1x4f h VAL 79 Cb 0.55 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1x4f h VAL 79 CO 0.09 0.08 -0.45 0.44 -1.23 0.00 0.00 177.57 176.50 1x4f h ASP 80 N 0.00 0.69 0.34 4.19 3.32 -1.10 -2.96 116.42 120.90 1x4f h ASP 80 Ca -0.00 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1x4f h ASP 80 Cb 0.18 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1x4f h ASP 80 CO 0.01 1.15 0.00 -0.74 -1.72 0.00 0.00 179.24 177.94 1x4f h HIS 81 N 0.26 0.00 0.00 4.55 2.76 -0.80 -0.41 115.15 121.51 1x4f h HIS 81 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1x4f h HIS 81 Cb 1.07 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.03 1x4f h HIS 81 CO 0.10 0.00 -0.55 0.00 -1.30 0.00 0.00 177.93 176.18 1x4f h LEU 83 N 0.00 0.45 0.16 0.00 3.38 -1.03 -3.38 115.31 114.89 1x4f h LEU 83 Ca 0.00 -0.96 -0.35 0.00 0.09 0.00 0.00 57.88 56.67 1x4f h LEU 83 Cb 0.74 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1x4f h LEU 83 CO 0.00 1.38 -1.77 0.11 0.09 0.00 0.00 178.44 178.25 1x4f h LYS 84 N -0.40 0.34 -6.44 1.13 6.56 -1.68 -3.47 116.57 112.61 1x4f h LYS 84 Ca -0.14 -0.59 -0.63 0.00 -1.06 0.00 0.00 60.65 58.24 1x4f h LYS 84 Cb 1.62 0.22 -0.15 0.00 -0.57 0.00 0.00 32.23 33.35 1x4f h LYS 84 CO 0.15 1.28 -0.75 0.21 -2.06 0.00 0.00 179.45 178.28 1x4f s LYS 85 N -2.56 1.86 -0.38 3.15 2.20 -0.76 -5.10 119.74 118.14 1x4f s LYS 85 Ca -0.18 -1.43 -0.21 0.00 -0.36 0.00 0.00 55.97 53.79 1x4f s LYS 85 Cb 0.06 -2.01 0.01 0.00 -1.51 0.00 0.00 37.83 34.38 1x4f s LYS 85 CO 0.82 0.40 0.67 0.00 -0.36 0.00 0.00 175.35 176.89 1x4f s ALA 86 N -1.86 3.41 -0.43 3.13 0.00 -1.26 -3.68 121.76 121.08 1x4f s ALA 86 Ca 0.25 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 1x4f s ALA 86 Cb -0.08 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1x4f s ALA 86 CO 0.14 -1.52 1.35 -1.17 0.00 0.00 0.00 175.76 174.56 1x4f s LEU 87 N 2.85 3.60 -0.10 0.00 0.20 -1.26 -5.00 118.68 118.96 1x4f s LEU 87 Ca 0.25 0.75 -0.04 0.00 0.69 0.00 0.00 54.13 55.79 1x4f s LEU 87 Cb -0.14 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.04 1x4f s LEU 87 CO 0.17 -1.39 0.05 0.26 -0.29 0.00 0.00 176.35 175.15 1x4f s TRP 88 N 5.20 3.31 -0.19 5.38 0.52 -1.26 -3.61 118.94 128.30 1x4f s TRP 88 Ca 0.58 0.30 -0.01 0.00 0.02 0.00 0.00 56.10 56.99 1x4f s TRP 88 Cb -0.12 -1.84 0.05 0.00 -1.15 0.00 0.00 33.47 30.41 1x4f s TRP 88 CO 0.32 0.55 -0.01 0.12 0.02 0.00 0.00 176.95 177.95 1x4f s PHE 89 N -0.90 1.48 -0.27 -1.98 5.36 -0.21 -4.76 117.98 116.70 1x4f s PHE 89 Ca 0.14 -1.06 0.00 0.00 -0.96 0.00 0.00 56.93 55.04 1x4f s PHE 89 Cb -0.12 -1.21 0.00 0.00 -0.34 0.00 0.00 43.02 41.35 1x4f s PHE 89 CO 0.03 -0.63 0.00 1.04 -1.46 0.00 0.00 175.22 174.20 1x4f n GLN 90 N 4.93 -1.93 0.00 10.12 6.02 -1.26 -1.30 117.38 133.96 1x4f n GLN 90 Ca -0.10 0.56 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 1x4f n GLN 90 Cb 0.47 -4.95 0.00 0.00 1.02 0.00 0.00 30.24 26.77 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 0.78 1.98 2.99 1.08 0.00 -1.26 -5.11 105.19 105.65 1x4f n GLY 91 Ca -0.03 0.00 -0.21 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 -0.81 1.00 0.00 1.61 1.81 -0.42 -5.03 118.95 117.11 1x4f s ARG 92 Ca 0.00 -0.29 -0.05 0.00 -1.72 0.00 0.00 55.73 53.67 1x4f s ARG 92 Cb 0.00 -0.93 -0.21 0.00 -0.45 0.00 0.00 34.95 33.36 1x4f s ARG 92 CO 0.00 0.09 3.06 0.00 -0.68 0.00 0.00 175.30 177.77 1x4f n VAL 94 N 2.47 0.41 -3.15 0.00 3.14 -1.24 -4.92 118.33 115.05 1x4f n VAL 94 Ca 0.34 -0.10 -0.39 0.00 -2.96 0.00 0.00 64.34 61.22 1x4f n VAL 94 Cb 0.76 -0.85 -0.05 0.00 -1.06 0.00 0.00 33.84 32.63 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 0.09 4.34 -0.25 1.45 2.36 0.50 -4.70 119.74 123.53 1x4f s LYS 95 Ca 0.79 0.67 0.00 0.00 -2.55 0.00 0.00 55.97 54.88 1x4f s LYS 95 Cb -0.90 -3.48 0.04 0.00 -1.05 0.00 0.00 37.83 32.44 1x4f s LYS 95 CO 0.49 0.01 -0.09 0.54 1.55 0.00 0.00 175.35 177.84 1x4f s VAL 96 N 1.07 2.51 0.00 4.02 0.11 -1.25 -1.09 120.40 125.77 1x4f s VAL 96 Ca 0.31 -1.28 0.01 0.00 -2.93 0.00 0.00 61.98 58.09 1x4f s VAL 96 Cb -0.16 -2.34 -0.00 0.00 -1.53 0.00 0.00 36.38 32.35 1x4f s VAL 96 CO 0.13 0.13 -0.02 1.51 -3.33 0.00 0.00 175.10 173.52 1x4f s ASP 97 N 1.23 0.22 0.01 3.54 1.47 -0.40 -4.60 116.67 118.13 1x4f s ASP 97 Ca -0.03 -0.08 -0.30 0.00 1.18 0.00 0.00 52.55 53.31 1x4f s ASP 97 Cb -0.18 -0.01 -0.05 0.00 -0.34 0.00 0.00 42.92 42.34 1x4f s ASP 97 CO -0.06 -0.01 1.31 -0.22 0.68 0.00 0.00 175.17 176.87 1x4f s LEU 98 N -0.20 4.32 0.70 2.11 2.96 -1.26 0.18 118.68 127.49 1x4f s LEU 98 Ca -0.01 2.04 -0.06 0.00 -0.22 0.00 0.00 54.13 55.88 1x4f s LEU 98 Cb -0.02 -3.57 0.07 0.00 0.50 0.00 0.00 46.19 43.18 1x4f s LEU 98 CO -0.00 -0.63 1.00 -0.55 -1.32 0.00 0.00 176.35 174.85 1x4f s SER 99 N 1.56 4.72 0.00 3.68 0.15 -0.16 -4.90 113.70 118.76 1x4f s SER 99 Ca 0.61 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1x4f s SER 99 Cb -0.30 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 1x4f s SER 99 CO 0.26 -1.64 0.00 1.21 1.20 0.00 0.00 173.24 174.27 1x4f n GLU 100 N -2.90 0.60 -0.12 5.44 2.13 -1.26 -4.54 120.64 119.98 1x4f n GLU 100 Ca 0.09 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.82 1x4f n GLU 100 Cb 0.60 -0.64 -0.04 0.00 0.27 0.00 0.00 31.44 31.63 1x4f n GLU 100 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1x4f h LYS 101 N 0.00 -0.30 -6.50 5.31 1.63 -1.98 -3.41 116.57 111.32 1x4f h LYS 101 Ca 0.00 0.02 -0.53 0.00 -0.85 0.00 0.00 60.65 59.29 1x4f h LYS 101 Cb 0.28 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 1x4f h LYS 101 CO 0.00 -0.20 -0.08 0.71 -3.45 0.00 0.00 179.45 176.42 1x4f s TYR 102 N -5.89 3.43 -0.20 1.91 2.02 -1.26 -4.89 117.35 112.47 1x4f s TYR 102 Ca -0.15 0.88 -0.01 0.00 -0.37 0.00 0.00 57.07 57.42 1x4f s TYR 102 Cb 0.12 -2.27 -0.12 0.00 -0.40 0.00 0.00 41.96 39.29 1x4f s TYR 102 CO 0.66 0.21 -0.19 1.63 -1.57 0.00 0.00 175.55 176.29 1x4f n LYS 103 N -0.37 0.48 -3.74 -0.62 4.01 -1.26 -4.73 118.16 111.93 1x4f n LYS 103 Ca 0.01 0.13 -0.10 0.00 -0.51 0.00 0.00 58.31 57.84 1x4f n LYS 103 Cb 0.53 -1.36 -0.06 0.00 -0.51 0.00 0.00 35.03 33.63 1x4f n LYS 103 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1x4f s LYS 104 N -2.39 0.94 -0.48 1.97 0.00 -1.26 -3.03 119.74 115.49 1x4f s LYS 104 Ca -0.27 -0.80 -0.24 0.00 0.00 0.00 0.00 55.97 54.67 1x4f s LYS 104 Cb 0.08 0.40 0.03 0.00 0.00 0.00 0.00 37.83 38.34 1x4f s LYS 104 CO 0.43 -0.34 0.85 -0.51 0.00 0.00 0.00 175.35 175.79 1x4f s LEU 105 N -2.76 4.18 -0.29 2.77 1.43 -1.26 -4.98 118.68 117.78 1x4f s LEU 105 Ca 0.03 -0.15 -0.25 0.00 -1.03 0.00 0.00 54.13 52.73 1x4f s LEU 105 Cb 0.03 -2.97 0.15 0.00 0.03 0.00 0.00 46.19 43.44 1x4f s LEU 105 CO -0.11 -1.03 1.21 0.54 0.23 0.00 0.00 176.35 177.20 1x4f s VAL 106 N 3.55 0.00 0.31 -1.59 0.11 -1.26 -5.00 120.40 116.51 1x4f s VAL 106 Ca 0.31 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.42 1x4f s VAL 106 Cb -0.12 -1.00 0.30 0.00 -1.53 0.00 0.00 36.38 34.03 1x4f s VAL 106 CO 0.22 0.00 1.79 0.28 -3.33 0.00 0.00 175.10 174.06 1x4f h SER 107 N 3.71 0.78 -2.10 3.54 0.02 -1.99 -3.47 113.55 114.04 1x4f h SER 107 Ca -0.27 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1x4f h SER 107 Cb 1.19 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1x4f h SER 107 CO 0.14 0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.73 1x4f n GLY 108 N -1.34 4.72 0.16 -3.77 0.00 -1.26 -4.68 105.19 99.01 1x4f n GLY 108 Ca 0.23 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 1x4f n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4f h PRO 109 N 0.00 0.47 -1.14 1.61 0.13 -2.04 -3.44 132.00 127.59 1x4f h PRO 109 Ca 0.00 -0.24 0.02 0.00 -0.87 0.00 0.00 66.00 64.90 1x4f h PRO 109 Cb 0.00 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 1x4f h PRO 109 CO 0.00 0.81 -0.36 -1.54 -0.23 0.00 0.00 178.00 176.68 1x4f s SER 110 N -6.25 -1.19 -0.77 1.44 1.04 -1.26 -5.10 113.70 101.60 1x4f s SER 110 Ca -0.14 0.40 -0.21 0.00 0.48 0.00 0.00 55.95 56.49 1x4f s SER 110 Cb 0.06 1.92 0.10 0.00 0.10 0.00 0.00 66.02 68.21 1x4f s SER 110 CO 0.78 -0.29 1.01 -0.44 0.98 0.00 0.00 173.24 175.28 1x4f s SER 111 N 2.79 6.37 0.00 7.02 0.01 -1.26 -5.27 113.70 123.35 1x4f s SER 111 Ca 0.14 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 55.92 1x4f s SER 111 Cb -0.13 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1x4f s SER 111 CO -0.24 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 172.77