#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hyq s LEU 2 N 0.00 4.08 0.23 2.46 2.96 -1.26 -4.94 118.68 122.22 2hyq s LEU 2 Ca 0.00 2.08 0.00 0.00 -0.22 0.00 0.00 54.13 55.99 2hyq s LEU 2 Cb 0.00 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 2hyq s LEU 2 CO 0.00 -1.21 0.13 0.28 -1.32 0.00 0.00 176.35 174.22 2hyq s THR 3 N 5.13 0.21 0.14 3.68 -1.32 -1.26 -5.18 115.64 117.03 2hyq s THR 3 Ca 0.80 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 59.20 2hyq s THR 3 Cb -0.33 -2.55 -0.01 0.00 -1.51 0.00 0.00 72.50 68.11 2hyq s THR 3 CO 0.33 0.00 0.23 -1.38 -2.21 0.00 0.00 174.62 171.59 2hyq s HIS 4 N -3.95 0.37 -0.03 9.09 -3.43 -1.26 -5.16 115.29 110.92 2hyq s HIS 4 Ca 0.38 -0.76 -0.06 0.00 -0.80 0.00 0.00 55.06 53.83 2hyq s HIS 4 Cb 0.07 -0.10 0.01 0.00 -1.43 0.00 0.00 32.58 31.12 2hyq s HIS 4 CO 0.14 -0.64 0.14 0.50 -2.00 0.00 0.00 174.74 172.87 2hyq s ARG 5 N -3.94 0.30 -0.15 -0.38 3.52 -1.26 -5.15 118.95 111.88 2hyq s ARG 5 Ca 0.14 -0.05 -0.07 0.00 -0.13 0.00 0.00 55.73 55.62 2hyq s ARG 5 Cb 0.04 0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.52 2hyq s ARG 5 CO -0.03 -0.06 0.08 0.21 -0.81 0.00 0.00 175.30 174.70 2hyq s LYS 6 N -0.53 3.67 0.08 5.12 2.20 -1.26 -5.12 119.74 123.91 2hyq s LYS 6 Ca -0.06 -0.27 0.08 0.00 -0.36 0.00 0.00 55.97 55.36 2hyq s LYS 6 Cb -0.04 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.09 2hyq s LYS 6 CO 0.01 0.51 -0.22 -0.06 -0.36 0.00 0.00 175.35 175.23 2hyq s PHE 7 N -0.28 1.87 0.00 4.03 0.40 -1.26 -5.09 117.98 117.65 2hyq s PHE 7 Ca 0.09 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 2hyq s PHE 7 Cb -0.12 -1.07 0.00 0.00 0.51 0.00 0.00 43.02 42.34 2hyq s PHE 7 CO 0.01 0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.51 2hyq n GLY 8 N 1.43 -1.80 0.00 4.36 0.00 -1.26 -5.07 105.19 102.86 2hyq n GLY 8 Ca -0.18 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2hyq n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hyq n GLY 9 N 0.00 3.49 0.03 -0.02 0.00 -1.26 -5.06 105.19 102.37 2hyq n GLY 9 Ca 0.00 -2.06 0.11 0.00 0.00 0.00 0.00 46.02 44.07 2hyq n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hyq n SER 10 N -0.52 0.60 -3.06 1.61 3.41 -1.26 -4.99 113.62 109.41 2hyq n SER 10 Ca 0.00 -0.27 -0.16 0.00 -0.26 0.00 0.00 58.87 58.17 2hyq n SER 10 Cb 0.00 0.92 0.12 0.00 -0.26 0.00 0.00 64.21 64.99 2hyq n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hyq n GLY 11 N 1.37 -1.67 0.31 5.00 0.00 -1.26 -4.97 105.19 103.97 2hyq n GLY 11 Ca 0.02 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.44 2hyq n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hyq n GLY 12 N -0.27 -1.45 3.60 -0.02 0.00 -1.26 -4.95 105.19 100.84 2hyq n GLY 12 Ca 0.09 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 2hyq n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hyq s SER 13 N -3.25 4.63 0.71 1.61 1.04 -1.26 -5.11 113.70 112.07 2hyq s SER 13 Ca 0.00 -0.17 -0.15 0.00 0.48 0.00 0.00 55.95 56.11 2hyq s SER 13 Cb 0.00 -1.07 0.03 0.00 0.10 0.00 0.00 66.02 65.08 2hyq s SER 13 CO 0.00 0.27 1.20 -2.84 0.98 0.00 0.00 173.24 172.85 2hyq s PRO 14 N -1.55 2.29 0.05 4.02 0.02 -1.26 -5.05 135.00 133.52 2hyq s PRO 14 Ca 0.18 1.75 -0.00 0.00 0.02 0.00 0.00 61.00 62.95 2hyq s PRO 14 Cb -0.11 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 2hyq s PRO 14 CO 0.09 -1.72 -0.04 -0.59 -0.33 0.00 0.00 177.00 174.41 2hyq s PHE 15 N -1.95 0.50 0.06 6.54 -0.12 -1.26 -4.76 117.98 117.00 2hyq s PHE 15 Ca 0.74 -0.90 0.07 0.00 -0.05 0.00 0.00 56.93 56.79 2hyq s PHE 15 Cb -0.29 -0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 41.71 2hyq s PHE 15 CO 0.44 -0.30 -0.16 0.45 -0.05 0.00 0.00 175.22 175.59 2hyq s SER 16 N -2.53 3.95 0.49 1.98 0.15 -1.26 -5.02 113.70 111.46 2hyq s SER 16 Ca 0.01 -0.43 0.18 0.00 0.70 0.00 0.00 55.95 56.42 2hyq s SER 16 Cb 0.03 -0.66 1.22 0.00 -1.71 0.00 0.00 66.02 64.90 2hyq s SER 16 CO -0.07 0.23 2.07 1.23 1.20 0.00 0.00 173.24 177.91 2hyq h GLY 17 N 4.25 0.00 -7.20 9.45 0.00 -2.01 -3.39 103.07 104.15 2hyq h GLY 17 Ca -0.48 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.18 2hyq h GLY 17 CO 0.48 0.00 0.32 -2.27 0.00 0.00 0.00 176.54 175.08 2hyq s LEU 18 N -8.48 4.87 -0.03 3.11 2.96 -1.26 -4.88 118.68 114.97 2hyq s LEU 18 Ca -0.04 -1.18 0.14 0.00 -0.22 0.00 0.00 54.13 52.83 2hyq s LEU 18 Cb 0.16 -2.38 -0.21 0.00 0.50 0.00 0.00 46.19 44.26 2hyq s LEU 18 CO 0.66 -1.26 0.28 -1.54 -1.32 0.00 0.00 176.35 173.17 2hyq n SER 19 N 7.00 1.76 -3.46 3.68 3.41 -1.26 -4.84 113.62 119.90 2hyq n SER 19 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.43 2hyq n SER 19 Cb 0.44 1.57 -0.03 0.00 -0.26 0.00 0.00 64.21 65.93 2hyq n SER 19 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2hyq s SER 20 N -3.73 -0.51 -0.13 4.04 1.04 -1.26 -0.98 113.70 112.17 2hyq s SER 20 Ca -0.05 -0.02 -0.10 0.00 0.48 0.00 0.00 55.95 56.25 2hyq s SER 20 Cb 0.09 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.82 2hyq s SER 20 CO 0.58 -0.93 0.33 -0.63 0.98 0.00 0.00 173.24 173.57 2hyq s ILE 21 N -3.63 -0.01 0.11 -1.02 1.01 0.52 -1.07 121.20 117.11 2hyq s ILE 21 Ca 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.68 2hyq s ILE 21 Cb -0.00 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 2hyq s ILE 21 CO -0.12 0.02 0.06 0.00 0.00 0.00 0.00 174.94 174.90 2hyq s ALA 22 N 0.56 0.64 0.11 9.38 0.00 -0.29 0.42 121.76 132.59 2hyq s ALA 22 Ca -0.03 -1.31 0.04 0.00 0.00 0.00 0.00 51.96 50.66 2hyq s ALA 22 Cb -0.05 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 2hyq s ALA 22 CO -0.03 -0.47 -0.10 0.14 0.00 0.00 0.00 175.76 175.29 2hyq s VAL 23 N -4.00 1.00 -0.07 0.00 -7.23 -1.26 0.24 120.40 109.09 2hyq s VAL 23 Ca 0.18 -1.79 -0.01 0.00 -1.81 0.00 0.00 61.98 58.55 2hyq s VAL 23 Cb 0.07 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 2hyq s VAL 23 CO -0.02 -0.63 0.01 -0.13 -0.31 0.00 0.00 175.10 174.02 2hyq s ARG 24 N -3.14 2.95 -0.09 4.82 0.52 -0.53 -1.27 118.95 122.21 2hyq s ARG 24 Ca 0.09 -0.45 -0.20 0.00 -0.52 0.00 0.00 55.73 54.65 2hyq s ARG 24 Cb -0.01 -2.78 0.05 0.00 0.52 0.00 0.00 34.95 32.73 2hyq s ARG 24 CO -0.00 0.69 0.48 -1.54 0.02 0.00 0.00 175.30 174.95 2hyq s SER 25 N -1.06 -0.45 0.00 0.23 1.04 -0.92 -0.23 113.70 112.32 2hyq s SER 25 Ca 0.15 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.19 2hyq s SER 25 Cb -0.11 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2hyq s SER 25 CO 0.04 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2hyq n GLY 26 N 1.75 3.24 0.23 7.32 0.00 -1.26 -1.31 105.19 115.15 2hyq n GLY 26 Ca -0.18 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.57 2hyq n GLY 26 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2hyq h SER 27 N 0.00 0.00 -4.53 1.61 0.02 -1.92 -3.27 113.55 105.46 2hyq h SER 27 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 2hyq h SER 27 Cb 0.00 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.41 2hyq h SER 27 CO 0.00 0.14 -0.50 -0.31 -1.14 0.00 0.00 176.83 175.02 2hyq s TYR 28 N -3.49 1.75 -0.20 3.45 2.02 -1.26 -1.12 117.35 118.50 2hyq s TYR 28 Ca 0.02 -1.48 -0.29 0.00 -0.37 0.00 0.00 57.07 54.95 2hyq s TYR 28 Cb 0.08 -0.93 -0.01 0.00 -0.40 0.00 0.00 41.96 40.70 2hyq s TYR 28 CO 0.63 -0.59 1.31 -0.51 -1.57 0.00 0.00 175.55 174.82 2hyq s LEU 29 N -3.49 4.10 0.02 -1.29 1.02 -0.65 -4.31 118.68 114.08 2hyq s LEU 29 Ca 0.32 1.59 -0.06 0.00 0.02 0.00 0.00 54.13 56.00 2hyq s LEU 29 Cb 0.02 -3.54 -0.30 0.00 0.02 0.00 0.00 46.19 42.40 2hyq s LEU 29 CO 0.21 -0.88 0.95 0.44 0.02 0.00 0.00 176.35 177.09 2hyq h ASP 30 N 8.70 0.50 -5.06 2.29 5.19 -0.90 -0.94 116.42 126.20 2hyq h ASP 30 Ca -0.27 -0.61 -0.05 0.00 -0.62 0.00 0.00 57.03 55.47 2hyq h ASP 30 Cb 1.11 -0.16 -0.14 0.00 0.18 0.00 0.00 39.33 40.32 2hyq h ASP 30 CO 0.99 1.50 -0.04 0.00 -3.12 0.00 0.00 179.24 178.56 2hyq s ALA 31 N -2.62 -1.03 0.01 3.45 0.00 -0.86 -0.79 121.76 119.92 2hyq s ALA 31 Ca -0.08 0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.04 2hyq s ALA 31 Cb 0.06 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 2hyq s ALA 31 CO 0.88 -0.62 -0.21 -1.50 0.00 0.00 0.00 175.76 174.31 2hyq s ILE 32 N -3.51 1.64 -0.20 0.00 2.07 -0.17 -1.46 121.20 119.56 2hyq s ILE 32 Ca 0.01 -1.01 0.02 0.00 -1.41 0.00 0.00 60.65 58.25 2hyq s ILE 32 Cb 0.01 -1.39 0.03 0.00 0.13 0.00 0.00 42.46 41.24 2hyq s ILE 32 CO -0.10 0.35 -0.16 -0.63 -1.91 0.00 0.00 174.94 172.49 2hyq s ILE 33 N -0.61 2.02 -0.17 2.00 1.09 0.14 -0.46 121.20 125.21 2hyq s ILE 33 Ca 0.08 -1.12 0.00 0.00 -1.10 0.00 0.00 60.65 58.50 2hyq s ILE 33 Cb -0.08 -1.94 0.00 0.00 -1.06 0.00 0.00 42.46 39.38 2hyq s ILE 33 CO 0.00 0.34 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.40 2hyq s ILE 34 N 1.26 2.57 -1.19 2.92 1.01 -0.48 -1.13 121.20 126.16 2hyq s ILE 34 Ca 0.01 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.75 2hyq s ILE 34 Cb -0.15 -2.10 0.10 0.00 0.01 0.00 0.00 42.46 40.33 2hyq s ILE 34 CO -0.10 0.51 0.42 0.47 0.00 0.00 0.00 174.94 176.24 2hyq n ASP 35 N 4.30 -2.63 0.00 3.58 8.00 -0.23 -1.11 116.55 128.46 2hyq n ASP 35 Ca -0.19 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 54.85 2hyq n ASP 35 Cb 0.51 -2.24 0.00 0.00 -0.02 0.00 0.00 41.12 39.37 2hyq n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hyq n GLY 36 N -1.01 1.22 3.68 0.44 0.00 -1.26 -4.99 105.19 103.28 2hyq n GLY 36 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2hyq n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hyq s VAL 37 N -3.01 5.20 -0.12 1.61 1.01 -0.27 -5.07 120.40 119.76 2hyq s VAL 37 Ca 0.00 0.74 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 2hyq s VAL 37 Cb 0.00 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2hyq s VAL 37 CO 0.00 0.27 1.03 -2.28 0.00 0.00 0.00 175.10 174.12 2hyq s HIS 38 N 1.17 3.46 -0.17 5.22 2.46 -1.26 -1.38 115.29 124.79 2hyq s HIS 38 Ca 0.20 1.55 -0.00 0.00 0.47 0.00 0.00 55.06 57.27 2hyq s HIS 38 Cb -0.15 -3.22 0.04 0.00 -0.13 0.00 0.00 32.58 29.13 2hyq s HIS 38 CO 0.08 -0.35 -0.05 -1.01 -2.47 0.00 0.00 174.74 170.93 2hyq s HIS 39 N 2.17 1.75 -2.75 3.88 3.76 0.39 -5.00 115.29 119.49 2hyq s HIS 39 Ca 0.49 -1.12 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 2hyq s HIS 39 Cb -0.18 -1.34 0.00 0.00 1.11 0.00 0.00 32.58 32.17 2hyq s HIS 39 CO 0.17 -0.63 0.00 0.41 -0.85 0.00 0.00 174.74 173.84 2hyq n GLY 40 N 4.86 0.72 0.00 -2.22 0.00 -1.26 -1.00 105.19 106.29 2hyq n GLY 40 Ca -0.12 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.82 2hyq n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hyq n GLY 41 N 0.00 0.84 0.87 -0.02 0.00 0.03 -4.84 105.19 102.07 2hyq n GLY 41 Ca 0.00 -1.93 0.09 0.00 0.00 0.00 0.00 46.02 44.18 2hyq n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hyq n SER 42 N -1.93 3.00 -4.08 1.61 7.64 -1.26 -4.55 113.62 114.05 2hyq n SER 42 Ca 0.00 -1.88 -0.30 0.00 1.01 0.00 0.00 58.87 57.71 2hyq n SER 42 Cb 0.00 -0.19 0.19 0.00 -1.01 0.00 0.00 64.21 63.20 2hyq n SER 42 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2hyq s GLY 43 N -1.22 1.80 0.00 0.23 0.00 -1.26 -4.91 107.32 101.95 2hyq s GLY 43 Ca 0.29 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.74 2hyq s GLY 43 CO 0.24 -0.48 0.00 0.61 0.00 0.00 0.00 173.10 173.47 2hyq n GLY 44 N -3.78 -0.04 3.34 0.20 0.00 -1.26 -4.42 105.19 99.22 2hyq n GLY 44 Ca 0.16 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 2hyq n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hyq s ASN 45 N -4.00 3.30 -0.02 1.61 0.01 -0.43 -4.76 114.94 110.66 2hyq s ASN 45 Ca 0.00 -0.41 -0.30 0.00 -0.71 0.00 0.00 52.86 51.44 2hyq s ASN 45 Cb 0.00 -0.59 -0.04 0.00 0.41 0.00 0.00 41.25 41.03 2hyq s ASN 45 CO 0.00 0.31 1.20 -0.22 -1.51 0.00 0.00 177.10 176.88 2hyq s LEU 46 N -0.52 4.31 0.63 0.60 2.96 -1.26 -2.15 118.68 123.24 2hyq s LEU 46 Ca 0.07 1.87 -0.10 0.00 -0.22 0.00 0.00 54.13 55.75 2hyq s LEU 46 Cb -0.11 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 2hyq s LEU 46 CO 0.00 -0.55 1.02 -0.94 -1.32 0.00 0.00 176.35 174.57 2hyq s SER 47 N 1.38 6.02 0.64 3.68 1.04 -0.39 -5.01 113.70 121.06 2hyq s SER 47 Ca 0.57 1.29 -0.17 0.00 0.48 0.00 0.00 55.95 58.11 2hyq s SER 47 Cb -0.26 -2.29 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 2hyq s SER 47 CO 0.24 -0.97 0.76 -2.65 0.98 0.00 0.00 173.24 171.60 2hyq n PRO 48 N -2.77 0.61 -3.00 4.02 -0.02 -1.26 -4.68 135.00 127.90 2hyq n PRO 48 Ca 0.06 0.25 -0.40 0.00 -2.02 0.00 0.00 63.50 61.38 2hyq n PRO 48 Cb 0.55 -1.98 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 2hyq n PRO 48 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2hyq s THR 49 N -1.69 4.98 -0.26 3.45 2.01 -1.26 -4.54 115.64 118.33 2hyq s THR 49 Ca 0.72 1.47 -0.16 0.00 0.31 0.00 0.00 61.69 64.03 2hyq s THR 49 Cb -0.40 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.02 2hyq s THR 49 CO 0.51 0.14 0.44 0.12 -0.69 0.00 0.00 174.62 175.14 2hyq s PHE 50 N 1.49 3.26 -0.17 4.92 2.19 0.17 -4.91 117.98 124.93 2hyq s PHE 50 Ca 0.36 0.52 -0.01 0.00 0.33 0.00 0.00 56.93 58.13 2hyq s PHE 50 Cb -0.17 -2.63 -0.01 0.00 -1.31 0.00 0.00 43.02 38.90 2hyq s PHE 50 CO 0.15 -0.24 -0.11 0.99 1.83 0.00 0.00 175.22 177.84 2hyq s THR 51 N 2.12 3.02 0.24 0.12 2.01 -1.26 -0.36 115.64 121.54 2hyq s THR 51 Ca 0.18 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 2hyq s THR 51 Cb -0.16 -2.31 -0.09 0.00 0.01 0.00 0.00 72.50 69.96 2hyq s THR 51 CO 0.09 0.49 1.12 -0.36 -0.69 0.00 0.00 174.62 175.28 2hyq s PHE 52 N 0.84 3.55 1.04 4.92 0.40 -0.15 -5.01 117.98 123.57 2hyq s PHE 52 Ca -0.04 1.63 -0.17 0.00 -0.60 0.00 0.00 56.93 57.75 2hyq s PHE 52 Cb -0.15 -3.31 0.23 0.00 0.51 0.00 0.00 43.02 40.30 2hyq s PHE 52 CO 0.00 -0.69 1.26 0.20 0.70 0.00 0.00 175.22 176.70 2hyq s GLY 53 N -0.51 1.73 0.27 4.36 0.00 -1.26 -4.93 107.32 106.98 2hyq s GLY 53 Ca 0.47 -1.14 -0.30 0.00 0.00 0.00 0.00 44.72 43.76 2hyq s GLY 53 CO 0.39 -0.33 1.43 -0.56 0.00 0.00 0.00 173.10 174.03 2hyq s SER 54 N -4.61 6.64 -0.69 1.64 0.01 -1.26 -2.59 113.70 112.84 2hyq s SER 54 Ca 0.73 2.71 0.00 0.00 1.31 0.00 0.00 55.95 60.70 2hyq s SER 54 Cb -0.05 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2hyq s SER 54 CO 0.54 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2hyq n GLY 55 N 1.87 0.70 3.78 3.44 0.00 -1.26 -5.01 105.19 108.71 2hyq n GLY 55 Ca 0.05 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2hyq n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hyq s GLU 56 N -2.34 3.89 0.14 1.61 2.12 -1.07 -4.97 118.70 118.08 2hyq s GLU 56 Ca 0.00 -0.19 -0.06 0.00 0.36 0.00 0.00 54.97 55.08 2hyq s GLU 56 Cb 0.00 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 2hyq s GLU 56 CO 0.00 0.48 0.19 1.52 -0.54 0.00 0.00 175.26 176.91 2hyq s TYR 57 N -0.17 0.51 -0.16 5.30 -0.85 -1.26 -4.61 117.35 116.12 2hyq s TYR 57 Ca 0.10 -0.90 -0.29 0.00 -0.52 0.00 0.00 57.07 55.46 2hyq s TYR 57 Cb -0.11 -0.20 -0.01 0.00 0.38 0.00 0.00 41.96 42.01 2hyq s TYR 57 CO 0.00 -0.62 1.22 0.42 -1.52 0.00 0.00 175.55 175.05 2hyq s ILE 58 N -3.98 4.35 -0.17 -3.49 1.01 -1.26 -1.27 121.20 116.40 2hyq s ILE 58 Ca 0.17 1.63 0.15 0.00 0.00 0.00 0.00 60.65 62.61 2hyq s ILE 58 Cb 0.05 -4.05 -0.21 0.00 0.01 0.00 0.00 42.46 38.25 2hyq s ILE 58 CO -0.01 -0.12 0.39 -1.54 0.00 0.00 0.00 174.94 173.66 2hyq n SER 59 N 6.32 1.40 -3.78 3.58 3.41 -0.69 -1.36 113.62 122.50 2hyq n SER 59 Ca 0.13 -0.18 -0.13 0.00 -0.26 0.00 0.00 58.87 58.43 2hyq n SER 59 Cb 0.45 1.53 -0.13 0.00 -0.26 0.00 0.00 64.21 65.81 2hyq n SER 59 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2hyq s ASN 60 N -3.42 -0.21 -0.16 4.04 0.01 -1.18 -1.22 114.94 112.80 2hyq s ASN 60 Ca -0.03 0.42 -0.13 0.00 -0.71 0.00 0.00 52.86 52.41 2hyq s ASN 60 Cb 0.10 0.39 0.05 0.00 0.41 0.00 0.00 41.25 42.19 2hyq s ASN 60 CO 0.61 -0.10 0.42 -0.32 -1.51 0.00 0.00 177.10 176.20 2hyq s MET 61 N 0.47 0.46 -0.11 -0.60 1.75 -0.04 -1.06 119.30 120.16 2hyq s MET 61 Ca -0.03 0.66 0.02 0.00 -1.25 0.00 0.00 55.69 55.09 2hyq s MET 61 Cb -0.04 0.14 0.01 0.00 2.84 0.00 0.00 34.83 37.78 2hyq s MET 61 CO -0.02 -0.10 -0.16 0.99 -0.65 0.00 0.00 175.02 175.08 2hyq s THR 62 N 0.66 1.54 -0.11 10.11 2.01 0.86 -0.29 115.64 130.41 2hyq s THR 62 Ca -0.04 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.33 2hyq s THR 62 Cb -0.05 -1.40 0.01 0.00 0.01 0.00 0.00 72.50 71.07 2hyq s THR 62 CO -0.04 0.45 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.48 2hyq s ILE 63 N 0.96 1.97 -0.01 1.82 1.01 -0.28 -1.19 121.20 125.47 2hyq s ILE 63 Ca -0.07 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 59.49 2hyq s ILE 63 Cb -0.15 -1.73 -0.06 0.00 0.01 0.00 0.00 42.46 40.54 2hyq s ILE 63 CO -0.01 0.54 0.40 -0.13 0.00 0.00 0.00 174.94 175.73 2hyq s ARG 64 N 0.59 3.92 -0.25 2.79 0.52 -0.27 0.13 118.95 126.39 2hyq s ARG 64 Ca -0.13 0.38 -0.19 0.00 -0.52 0.00 0.00 55.73 55.27 2hyq s ARG 64 Cb -0.17 -3.23 0.07 0.00 0.52 0.00 0.00 34.95 32.14 2hyq s ARG 64 CO 0.04 0.66 0.63 -1.54 0.02 0.00 0.00 175.30 175.11 2hyq s SER 65 N -0.97 -0.75 0.00 0.23 1.04 -0.91 -0.47 113.70 111.88 2hyq s SER 65 Ca 0.23 1.32 0.00 0.00 0.48 0.00 0.00 55.95 57.98 2hyq s SER 65 Cb -0.16 1.27 0.00 0.00 0.10 0.00 0.00 66.02 67.23 2hyq s SER 65 CO 0.13 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2hyq n GLY 66 N 3.46 2.18 0.24 7.32 0.00 -1.26 -1.04 105.19 116.09 2hyq n GLY 66 Ca -0.17 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.82 2hyq n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2hyq h ASP 67 N 0.00 0.00 -2.15 1.61 3.32 -2.00 -3.45 116.42 113.75 2hyq h ASP 67 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 2hyq h ASP 67 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 2hyq h ASP 67 CO 0.00 0.14 -0.52 -0.31 -1.72 0.00 0.00 179.24 176.83 2hyq s TYR 68 N -3.65 1.85 -0.25 4.55 2.02 -1.26 -4.82 117.35 115.80 2hyq s TYR 68 Ca 0.01 -1.13 -0.28 0.00 -0.37 0.00 0.00 57.07 55.30 2hyq s TYR 68 Cb 0.10 -1.34 0.01 0.00 -0.40 0.00 0.00 41.96 40.32 2hyq s TYR 68 CO 0.61 -0.07 0.99 0.42 -1.57 0.00 0.00 175.55 175.92 2hyq s ILE 69 N -3.08 4.70 -0.08 2.71 -1.09 -0.47 -4.36 121.20 119.54 2hyq s ILE 69 Ca 0.19 1.86 0.03 0.00 -2.23 0.00 0.00 60.65 60.50 2hyq s ILE 69 Cb 0.03 -4.27 -0.25 0.00 -1.58 0.00 0.00 42.46 36.39 2hyq s ILE 69 CO 0.11 -0.19 0.53 0.47 -1.23 0.00 0.00 174.94 174.63 2hyq n ASP 70 N 6.31 1.48 -3.57 3.58 9.92 0.38 -1.63 116.55 133.02 2hyq n ASP 70 Ca 0.10 0.33 -0.17 0.00 -0.53 0.00 0.00 54.79 54.52 2hyq n ASP 70 Cb 0.47 -0.46 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 2hyq n ASP 70 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2hyq s ASN 71 N -6.55 -0.56 -0.03 -2.24 3.84 -1.13 -0.70 114.94 107.55 2hyq s ASN 71 Ca -0.13 0.57 -0.03 0.00 0.21 0.00 0.00 52.86 53.48 2hyq s ASN 71 Cb 0.07 0.50 0.01 0.00 -0.55 0.00 0.00 41.25 41.28 2hyq s ASN 71 CO 0.80 -0.59 0.09 -0.51 -2.79 0.00 0.00 177.10 174.10 2hyq s ILE 72 N -1.30 0.01 0.05 -5.21 2.07 -0.59 -1.11 121.20 115.12 2hyq s ILE 72 Ca -0.11 -0.07 -0.03 0.00 -1.41 0.00 0.00 60.65 59.03 2hyq s ILE 72 Cb -0.01 -0.16 -0.02 0.00 0.13 0.00 0.00 42.46 42.40 2hyq s ILE 72 CO 0.08 -0.04 0.04 -0.94 -1.91 0.00 0.00 174.94 172.17 2hyq s SER 73 N -0.07 0.32 0.21 4.50 1.04 -0.34 -0.87 113.70 118.49 2hyq s SER 73 Ca -0.01 -0.77 -0.09 0.00 0.48 0.00 0.00 55.95 55.55 2hyq s SER 73 Cb -0.01 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 2hyq s SER 73 CO 0.00 -0.57 0.34 0.72 0.98 0.00 0.00 173.24 174.72 2hyq s PHE 74 N -3.32 0.52 0.11 5.02 -0.12 -0.44 -0.10 117.98 119.64 2hyq s PHE 74 Ca 0.01 -0.85 0.04 0.00 -0.05 0.00 0.00 56.93 56.08 2hyq s PHE 74 Cb 0.03 -0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 2hyq s PHE 74 CO -0.08 -0.83 -0.11 -2.00 -0.05 0.00 0.00 175.22 172.16 2hyq s GLU 75 N -4.02 0.92 0.34 1.99 2.12 -0.23 -1.11 118.70 118.70 2hyq s GLU 75 Ca 0.23 -1.23 0.08 0.00 0.36 0.00 0.00 54.97 54.42 2hyq s GLU 75 Cb 0.02 -0.61 -0.04 0.00 0.26 0.00 0.00 34.13 33.76 2hyq s GLU 75 CO 0.06 0.09 0.12 0.95 -0.54 0.00 0.00 175.26 175.95 2hyq s THR 76 N -2.57 3.01 -1.09 -1.70 -4.23 -0.22 -1.70 115.64 107.14 2hyq s THR 76 Ca 0.08 -1.73 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 2hyq s THR 76 Cb -0.02 -2.96 0.03 0.00 1.34 0.00 0.00 72.50 70.89 2hyq s THR 76 CO 0.01 -0.19 1.06 -0.46 -0.54 0.00 0.00 174.62 174.49 2hyq n ASN 77 N -1.12 0.00 -1.28 3.99 6.94 -0.39 -1.31 115.26 122.09 2hyq n ASN 77 Ca -0.03 0.44 0.08 0.00 -0.02 0.00 0.00 54.58 55.05 2hyq n ASN 77 Cb 0.61 -0.45 0.32 0.00 -2.36 0.00 0.00 39.78 37.89 2hyq n ASN 77 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2hyq n MET 78 N -1.45 3.67 -1.11 -3.83 2.81 -1.26 -4.95 117.12 110.99 2hyq n MET 78 Ca 0.01 -2.97 -0.04 0.00 -1.81 0.00 0.00 57.70 52.89 2hyq n MET 78 Cb 0.03 -2.01 -0.02 0.00 -0.71 0.00 0.00 33.22 30.52 2hyq n MET 78 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hyq n GLY 79 N -0.09 0.66 3.80 3.03 0.00 -0.42 -5.02 105.19 107.15 2hyq n GLY 79 Ca 0.24 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 2hyq n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hyq s ARG 80 N -1.74 4.15 0.03 1.61 0.52 -1.26 -4.87 118.95 117.38 2hyq s ARG 80 Ca 0.00 0.60 0.07 0.00 -0.52 0.00 0.00 55.73 55.88 2hyq s ARG 80 Cb 0.00 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 2hyq s ARG 80 CO 0.00 0.56 -0.17 1.03 0.02 0.00 0.00 175.30 176.73 2hyq s ARG 81 N -0.75 2.14 -0.09 3.54 0.52 -1.26 -1.06 118.95 121.98 2hyq s ARG 81 Ca 0.27 -0.94 0.01 0.00 -0.52 0.00 0.00 55.73 54.55 2hyq s ARG 81 Cb -0.18 -2.22 0.02 0.00 0.52 0.00 0.00 34.95 33.09 2hyq s ARG 81 CO 0.16 0.55 -0.11 0.12 0.02 0.00 0.00 175.30 176.04 2hyq s PHE 82 N -0.90 1.58 0.00 -0.53 5.36 -0.27 -5.00 117.98 118.22 2hyq s PHE 82 Ca 0.14 -0.70 0.00 0.00 -0.96 0.00 0.00 56.93 55.41 2hyq s PHE 82 Cb -0.11 -1.21 0.00 0.00 -0.34 0.00 0.00 43.02 41.37 2hyq s PHE 82 CO 0.05 -0.41 0.00 0.41 -1.46 0.00 0.00 175.22 173.80 2hyq n GLY 83 N 4.33 -1.45 3.76 13.12 0.00 -1.26 -1.33 105.19 122.36 2hyq n GLY 83 Ca -0.18 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 2hyq n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hyq s PRO 84 N 0.00 3.70 -0.03 1.61 0.04 -1.26 -4.91 135.00 134.15 2hyq s PRO 84 Ca 0.00 2.27 0.06 0.00 0.04 0.00 0.00 61.00 63.37 2hyq s PRO 84 Cb 0.00 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 2hyq s PRO 84 CO 0.00 -0.75 -0.22 0.71 0.04 0.00 0.00 177.00 176.78 2hyq s TYR 85 N -1.26 2.03 -0.83 0.56 2.02 -0.05 -4.97 117.35 114.85 2hyq s TYR 85 Ca 0.61 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 2hyq s TYR 85 Cb -0.40 -1.32 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 2hyq s TYR 85 CO 0.51 -0.10 0.00 0.41 -1.57 0.00 0.00 175.55 174.80 2hyq n GLY 86 N 2.74 0.42 0.00 0.71 0.00 -1.26 -1.54 105.19 106.26 2hyq n GLY 86 Ca -0.16 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.80 2hyq n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hyq n GLY 87 N 0.00 3.72 0.33 -0.02 0.00 0.12 -4.74 105.19 104.60 2hyq n GLY 87 Ca 0.00 -2.11 0.08 0.00 0.00 0.00 0.00 46.02 43.99 2hyq n GLY 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hyq n SER 88 N -1.19 1.55 -3.09 1.61 3.41 -1.26 -4.41 113.62 110.24 2hyq n SER 88 Ca 0.00 -1.28 -0.10 0.00 -0.26 0.00 0.00 58.87 57.23 2hyq n SER 88 Cb 0.00 0.54 0.10 0.00 -0.26 0.00 0.00 64.21 64.59 2hyq n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hyq n GLY 89 N 1.21 -3.56 4.51 5.00 0.00 -1.26 -4.87 105.19 106.21 2hyq n GLY 89 Ca 0.06 -1.17 0.04 0.00 0.00 0.00 0.00 46.02 44.96 2hyq n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hyq n GLY 90 N -1.84 -1.73 3.28 -0.02 0.00 -1.26 -4.55 105.19 99.06 2hyq n GLY 90 Ca 0.05 -1.26 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 2hyq n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hyq s SER 91 N -4.28 2.70 0.15 1.61 0.01 -0.20 -4.73 113.70 108.97 2hyq s SER 91 Ca 0.00 -0.52 -0.30 0.00 1.31 0.00 0.00 55.95 56.44 2hyq s SER 91 Cb 0.00 -0.25 -0.07 0.00 0.21 0.00 0.00 66.02 65.91 2hyq s SER 91 CO 0.00 0.21 1.16 0.00 0.41 0.00 0.00 173.24 175.02 2hyq s ALA 92 N -0.75 3.40 0.00 1.44 0.00 -1.26 -2.13 121.76 122.46 2hyq s ALA 92 Ca 0.09 0.87 0.08 0.00 0.00 0.00 0.00 51.96 53.00 2hyq s ALA 92 Cb -0.09 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2hyq s ALA 92 CO 0.01 -0.32 -0.25 -0.80 0.00 0.00 0.00 175.76 174.40 2hyq s ASN 93 N 0.24 3.00 -0.04 0.00 -0.87 0.12 -4.98 114.94 112.42 2hyq s ASN 93 Ca 0.53 -0.50 0.05 0.00 -1.57 0.00 0.00 52.86 51.36 2hyq s ASN 93 Cb -0.31 -0.31 -0.01 0.00 -0.02 0.00 0.00 41.25 40.61 2hyq s ASN 93 CO 0.34 0.29 -0.18 -0.89 -2.57 0.00 0.00 177.10 174.09 2hyq s THR 94 N -0.67 1.51 -0.22 1.60 2.01 -1.26 -1.13 115.64 117.47 2hyq s THR 94 Ca 0.10 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 2hyq s THR 94 Cb -0.10 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 2hyq s THR 94 CO 0.00 0.43 0.10 -0.76 -0.69 0.00 0.00 174.62 173.70 2hyq s LEU 95 N -0.07 3.79 -0.05 4.42 1.43 0.60 -4.96 118.68 123.85 2hyq s LEU 95 Ca -0.02 -0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 2hyq s LEU 95 Cb -0.11 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 2hyq s LEU 95 CO 0.02 0.07 -0.25 -0.94 0.23 0.00 0.00 176.35 175.48 2hyq s SER 96 N 1.02 3.11 -0.91 2.29 1.04 -1.26 -0.86 113.70 118.12 2hyq s SER 96 Ca 0.05 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 55.95 2hyq s SER 96 Cb -0.14 -0.75 -0.05 0.00 0.10 0.00 0.00 66.02 65.19 2hyq s SER 96 CO 0.03 0.26 0.82 0.59 0.98 0.00 0.00 173.24 175.92 2hyq n ASN 97 N 2.83 -6.86 -4.38 7.02 3.02 -0.67 -4.76 115.26 111.45 2hyq n ASN 97 Ca -0.17 -0.48 -0.20 0.00 -0.03 0.00 0.00 54.58 53.70 2hyq n ASN 97 Cb 0.52 -5.09 -0.10 0.00 -0.61 0.00 0.00 39.78 34.49 2hyq n ASN 97 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2hyq s VAL 98 N -3.25 0.92 -0.25 2.41 -7.23 -0.36 -1.25 120.40 111.38 2hyq s VAL 98 Ca 0.30 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 2hyq s VAL 98 Cb -0.04 -2.72 0.07 0.00 0.56 0.00 0.00 36.38 34.25 2hyq s VAL 98 CO 0.72 0.00 -0.05 -0.75 -0.31 0.00 0.00 175.10 174.71 2hyq s LYS 99 N -3.94 1.69 0.09 4.82 2.20 -0.15 -4.05 119.74 120.40 2hyq s LYS 99 Ca 0.37 -1.16 -0.31 0.00 -0.36 0.00 0.00 55.97 54.51 2hyq s LYS 99 Cb 0.08 -2.68 -0.08 0.00 -1.51 0.00 0.00 37.83 33.64 2hyq s LYS 99 CO 0.15 -0.65 1.50 0.08 -0.36 0.00 0.00 175.35 176.07 2hyq s VAL 100 N 1.30 3.18 -0.18 4.02 1.01 -0.47 -1.31 120.40 127.95 2hyq s VAL 100 Ca -0.04 0.75 -0.06 0.00 0.00 0.00 0.00 61.98 62.62 2hyq s VAL 100 Cb -0.19 -3.48 -0.22 0.00 0.00 0.00 0.00 36.38 32.49 2hyq s VAL 100 CO -0.07 0.03 0.12 -0.38 0.00 0.00 0.00 175.10 174.80 2hyq n ILE 101 N 4.33 1.65 -3.60 2.22 2.08 0.22 -4.63 119.36 121.63 2hyq n ILE 101 Ca 0.14 -0.54 -0.15 0.00 0.56 0.00 0.00 62.75 62.76 2hyq n ILE 101 Cb 0.41 -1.69 -0.06 0.00 -0.75 0.00 0.00 39.64 37.55 2hyq n ILE 101 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2hyq s GLN 102 N -2.52 0.97 -0.22 0.38 2.00 -1.05 -4.58 119.66 114.64 2hyq s GLN 102 Ca -0.28 -0.13 0.01 0.00 -2.00 0.00 0.00 55.36 52.96 2hyq s GLN 102 Cb 0.08 0.45 0.05 0.00 0.80 0.00 0.00 33.01 34.39 2hyq s GLN 102 CO 0.68 -0.33 -0.07 0.42 -0.50 0.00 0.00 175.29 175.49 2hyq s ILE 103 N -2.00 1.56 0.00 -2.34 1.01 -1.26 -1.35 121.20 116.82 2hyq s ILE 103 Ca -0.08 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.43 2hyq s ILE 103 Cb -0.01 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.70 2hyq s ILE 103 CO 0.02 -0.01 0.00 0.59 0.00 0.00 0.00 174.94 175.54 2hyq n ASN 104 N 4.68 0.84 0.00 3.58 3.02 0.10 -4.96 115.26 122.52 2hyq n ASN 104 Ca -0.13 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 2hyq n ASN 104 Cb 0.45 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 2hyq n ASN 104 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hyq n GLY 105 N 5.00 -1.00 2.91 7.41 0.00 -1.26 -0.98 105.19 117.27 2hyq n GLY 105 Ca 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 2hyq n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hyq s SER 106 N -4.00 0.06 -0.12 1.61 0.01 -0.55 -4.90 113.70 105.80 2hyq s SER 106 Ca 0.00 -0.12 -0.06 0.00 1.31 0.00 0.00 55.95 57.08 2hyq s SER 106 Cb 0.00 0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.33 2hyq s SER 106 CO 0.00 -0.09 0.28 0.00 0.41 0.00 0.00 173.24 173.84 2hyq s ALA 107 N -0.41 -0.66 0.00 1.44 0.00 -1.26 -1.46 121.76 119.40 2hyq s ALA 107 Ca -0.05 1.08 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2hyq s ALA 107 Cb -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.42 2hyq s ALA 107 CO -0.00 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.96 2hyq n GLY 108 N 4.11 0.67 0.22 0.00 0.00 -1.26 -4.69 105.19 104.23 2hyq n GLY 108 Ca -0.24 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.90 2hyq n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2hyq h ASP 109 N 0.00 0.00 -3.01 1.61 5.19 -1.89 -3.24 116.42 115.08 2hyq h ASP 109 Ca 0.00 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.90 2hyq h ASP 109 Cb 0.00 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.37 2hyq h ASP 109 CO 0.00 0.10 -0.59 -0.31 -3.12 0.00 0.00 179.24 175.32 2hyq s TYR 110 N -3.29 1.96 -0.72 4.55 2.02 -1.26 -1.97 117.35 118.64 2hyq s TYR 110 Ca 0.05 -1.00 -0.25 0.00 -0.37 0.00 0.00 57.07 55.49 2hyq s TYR 110 Cb 0.06 -1.30 0.04 0.00 -0.40 0.00 0.00 41.96 40.37 2hyq s TYR 110 CO 0.66 -0.01 1.18 -1.17 -1.57 0.00 0.00 175.55 174.64 2hyq s LEU 111 N -3.54 3.57 0.01 -1.29 2.96 -0.36 -4.40 118.68 115.63 2hyq s LEU 111 Ca 0.33 -0.65 -0.24 0.00 -0.22 0.00 0.00 54.13 53.34 2hyq s LEU 111 Cb 0.07 -2.51 -0.18 0.00 0.50 0.00 0.00 46.19 44.07 2hyq s LEU 111 CO 0.15 -1.70 1.38 0.44 -1.32 0.00 0.00 176.35 175.29 2hyq h ASP 112 N 9.87 0.07 -5.16 3.68 5.19 -1.59 -1.23 116.42 127.24 2hyq h ASP 112 Ca -0.27 -0.39 -0.04 0.00 -0.62 0.00 0.00 57.03 55.71 2hyq h ASP 112 Cb 1.06 -0.02 -0.10 0.00 0.18 0.00 0.00 39.33 40.45 2hyq h ASP 112 CO 1.25 0.44 -0.07 -0.94 -3.12 0.00 0.00 179.24 176.80 2hyq s SER 113 N -5.66 -0.15 -0.02 6.45 1.04 -0.53 -3.47 113.70 111.35 2hyq s SER 113 Ca -0.15 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.59 2hyq s SER 113 Cb 0.03 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.73 2hyq s SER 113 CO 0.68 -1.06 -0.02 -0.76 0.98 0.00 0.00 173.24 173.06 2hyq s LEU 114 N -2.94 1.51 -0.28 2.42 1.43 -1.26 -1.49 118.68 118.08 2hyq s LEU 114 Ca 0.15 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2hyq s LEU 114 Cb -0.00 -0.27 0.04 0.00 0.03 0.00 0.00 46.19 45.99 2hyq s LEU 114 CO 0.02 -0.03 -0.03 -1.81 0.23 0.00 0.00 176.35 174.72 2hyq s ASP 115 N 0.58 4.62 -0.22 2.29 1.11 -0.15 -4.89 116.67 120.01 2hyq s ASP 115 Ca -0.06 -1.10 -0.08 0.00 0.18 0.00 0.00 52.55 51.49 2hyq s ASP 115 Cb -0.09 -1.68 -0.04 0.00 1.07 0.00 0.00 42.92 42.17 2hyq s ASP 115 CO -0.01 -0.20 0.10 -0.63 1.18 0.00 0.00 175.17 175.61 2hyq s ILE 116 N 1.28 4.83 -0.11 0.77 -1.09 -1.26 -0.72 121.20 124.90 2hyq s ILE 116 Ca -0.03 -0.01 -0.04 0.00 -2.23 0.00 0.00 60.65 58.34 2hyq s ILE 116 Cb -0.18 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.43 2hyq s ILE 116 CO -0.03 0.38 0.05 -0.31 -1.23 0.00 0.00 174.94 173.80 2hyq s TYR 117 N 0.99 3.29 0.20 3.97 1.51 -0.46 -5.00 117.35 121.86 2hyq s TYR 117 Ca 0.05 0.27 -0.23 0.00 -1.01 0.00 0.00 57.07 56.15 2hyq s TYR 117 Cb -0.14 -1.87 0.05 0.00 -0.11 0.00 0.00 41.96 39.89 2hyq s TYR 117 CO 0.03 0.51 0.83 1.52 -1.11 0.00 0.00 175.55 177.33 2hyq s TYR 118 N -0.77 -0.19 -0.14 2.71 1.13 -1.26 -0.61 117.35 118.22 2hyq s TYR 118 Ca 0.12 -0.16 -0.06 0.00 -1.41 0.00 0.00 57.07 55.57 2hyq s TYR 118 Cb -0.12 0.66 -0.04 0.00 -1.10 0.00 0.00 41.96 41.36 2hyq s TYR 118 CO 0.03 -0.99 0.06 -1.21 -2.51 0.00 0.00 175.55 170.93 2hyq s GLU 119 N -3.58 3.52 -0.25 -3.49 2.02 -0.43 -4.90 118.70 111.59 2hyq s GLU 119 Ca 0.11 -0.31 -0.13 0.00 0.02 0.00 0.00 54.97 54.66 2hyq s GLU 119 Cb -0.03 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 2hyq s GLU 119 CO 0.03 0.54 0.28 -1.14 0.02 0.00 0.00 175.26 174.99 2hyq s GLN 120 N -0.40 4.04 0.00 1.61 2.00 -1.26 -0.97 119.66 124.67 2hyq s GLN 120 Ca 0.09 -0.10 0.19 0.00 -2.00 0.00 0.00 55.36 53.54 2hyq s GLN 120 Cb -0.12 -3.61 0.15 0.00 0.80 0.00 0.00 33.01 30.23 2hyq s GLN 120 CO 0.02 -0.13 1.09 0.66 -0.50 0.00 0.00 175.29 176.43