#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3y s PHE 10 N 0.00 3.12 -0.35 0.58 0.40 -1.26 -5.01 117.98 115.46 1a3y s PHE 10 Ca 0.00 1.12 -0.11 0.00 -0.60 0.00 0.00 56.93 57.35 1a3y s PHE 10 Cb 0.00 -3.73 0.01 0.00 0.51 0.00 0.00 43.02 39.82 1a3y s PHE 10 CO 0.00 -2.31 0.19 -2.00 0.70 0.00 0.00 175.22 171.80 1a3y s GLU 11 N -0.35 3.06 0.07 0.44 2.56 -1.26 -4.93 118.70 118.29 1a3y s GLU 11 Ca 0.58 -0.92 0.19 0.00 0.00 0.00 0.00 54.97 54.82 1a3y s GLU 11 Cb -0.40 -3.69 -0.13 0.00 2.00 0.00 0.00 34.13 31.91 1a3y s GLU 11 CO 0.42 -0.58 0.79 1.28 -0.56 0.00 0.00 175.26 176.60 1a3y n LEU 12 N 5.01 0.69 -4.85 2.70 4.32 -1.26 -4.95 117.00 118.66 1a3y n LEU 12 Ca -0.13 0.29 -0.33 0.00 -0.02 0.00 0.00 56.01 55.83 1a3y n LEU 12 Cb 0.47 0.06 -0.06 0.00 -1.62 0.00 0.00 43.42 42.27 1a3y n LEU 12 CO 0.36 0.06 0.41 -0.44 -1.22 0.00 0.00 177.39 176.56 1a3y s SER 13 N -5.49 6.78 0.00 -1.43 0.01 -1.26 -4.88 113.70 107.42 1a3y s SER 13 Ca -0.03 1.27 0.00 0.00 1.31 0.00 0.00 55.95 58.50 1a3y s SER 13 Cb 0.09 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1a3y s SER 13 CO 0.82 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.88 1a3y n GLY 14 N -0.33 0.63 3.69 3.44 0.00 -0.53 -5.02 105.19 107.08 1a3y n GLY 14 Ca 0.03 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1a3y n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a3y s LYS 15 N -1.25 4.34 -0.09 1.61 2.20 -1.26 -2.05 119.74 123.24 1a3y s LYS 15 Ca 0.00 1.81 -0.04 0.00 -0.36 0.00 0.00 55.97 57.38 1a3y s LYS 15 Cb 0.00 -3.51 0.05 0.00 -1.51 0.00 0.00 37.83 32.86 1a3y s LYS 15 CO 0.00 -0.46 0.18 -1.58 -0.36 0.00 0.00 175.35 173.13 1a3y s TRP 16 N 2.02 -0.23 0.03 4.03 0.52 -1.08 -4.60 118.94 119.63 1a3y s TRP 16 Ca 0.59 0.67 0.04 0.00 0.02 0.00 0.00 56.10 57.43 1a3y s TRP 16 Cb -0.28 -0.20 -0.03 0.00 -1.15 0.00 0.00 33.47 31.80 1a3y s TRP 16 CO 0.25 -0.28 -0.08 0.42 0.02 0.00 0.00 176.95 177.28 1a3y s ILE 17 N 2.20 3.54 0.16 2.03 -1.09 0.49 -2.20 121.20 126.33 1a3y s ILE 17 Ca 0.01 -0.92 -0.28 0.00 -2.23 0.00 0.00 60.65 57.24 1a3y s ILE 17 Cb -0.12 -2.56 -0.08 0.00 -1.58 0.00 0.00 42.46 38.12 1a3y s ILE 17 CO -0.06 0.32 0.87 -0.89 -1.23 0.00 0.00 174.94 173.94 1a3y s THR 18 N -1.05 4.34 -0.11 2.92 2.01 -1.25 -0.32 115.64 122.19 1a3y s THR 18 Ca 0.18 1.90 -0.09 0.00 0.31 0.00 0.00 61.69 63.98 1a3y s THR 18 Cb -0.11 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.11 1a3y s THR 18 CO 0.09 0.45 -0.21 -1.20 -0.69 0.00 0.00 174.62 173.07 1a3y n SER 19 N 1.96 1.39 -4.06 3.53 7.64 0.65 -4.24 113.62 120.48 1a3y n SER 19 Ca -0.02 0.23 -0.11 0.00 1.01 0.00 0.00 58.87 59.97 1a3y n SER 19 Cb 0.48 -0.53 -0.11 0.00 -1.01 0.00 0.00 64.21 63.05 1a3y n SER 19 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1a3y s TYR 20 N -2.42 0.59 -0.01 1.43 1.51 -1.22 -0.00 117.35 117.23 1a3y s TYR 20 Ca -0.19 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.25 1a3y s TYR 20 Cb 0.05 -0.36 0.01 0.00 -0.11 0.00 0.00 41.96 41.55 1a3y s TYR 20 CO 0.26 -0.15 0.00 0.42 -1.11 0.00 0.00 175.55 174.98 1a3y s ILE 21 N -1.95 0.07 0.15 2.71 1.01 -1.01 -0.78 121.20 121.40 1a3y s ILE 21 Ca -0.07 0.04 0.10 0.00 0.00 0.00 0.00 60.65 60.73 1a3y s ILE 21 Cb -0.06 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 1a3y s ILE 21 CO -0.02 0.06 -0.22 -0.83 0.00 0.00 0.00 174.94 173.93 1a3y s GLY 22 N 0.43 1.66 -0.01 6.18 0.00 -0.00 -1.70 107.32 113.88 1a3y s GLY 22 Ca -0.04 -1.50 -0.18 0.00 0.00 0.00 0.00 44.72 43.00 1a3y s GLY 22 CO -0.01 -1.50 0.39 -0.45 0.00 0.00 0.00 173.10 171.52 1a3y s SER 23 N -2.37 -0.28 0.00 1.64 0.15 -1.13 -1.23 113.70 110.48 1a3y s SER 23 Ca 0.18 0.18 0.27 0.00 0.70 0.00 0.00 55.95 57.29 1a3y s SER 23 Cb -0.09 0.36 0.89 0.00 -1.71 0.00 0.00 66.02 65.47 1a3y s SER 23 CO 0.09 -0.50 1.66 -1.54 1.20 0.00 0.00 173.24 174.15 1a3y n SER 24 N 1.11 0.56 -3.72 5.45 3.41 -0.72 -4.61 113.62 115.09 1a3y n SER 24 Ca -0.21 -0.42 -0.27 0.00 -0.26 0.00 0.00 58.87 57.72 1a3y n SER 24 Cb 0.57 0.02 -0.17 0.00 -0.26 0.00 0.00 64.21 64.37 1a3y n SER 24 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a3y s ASP 25 N -2.70 2.59 0.48 4.04 -1.08 -1.26 -4.97 116.67 113.76 1a3y s ASP 25 Ca 0.20 -0.66 0.32 0.00 -0.52 0.00 0.00 52.55 51.90 1a3y s ASP 25 Cb 0.19 -0.52 1.52 0.00 -1.46 0.00 0.00 42.92 42.66 1a3y s ASP 25 CO 0.56 -0.29 1.97 -0.07 0.52 0.00 0.00 175.17 177.86 1a3y h LEU 26 N 8.28 0.00 -1.44 -1.34 3.38 -1.97 -2.86 115.31 119.36 1a3y h LEU 26 Ca -0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1a3y h LEU 26 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1a3y h LEU 26 CO 0.32 0.00 -0.05 -0.08 0.09 0.00 0.00 178.44 178.71 1a3y h GLU 27 N 0.00 0.00 -0.01 1.13 4.22 -1.98 -3.10 114.58 114.84 1a3y h GLU 27 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1a3y h GLU 27 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1a3y h GLU 27 CO 0.00 0.05 -0.12 1.63 -2.18 0.00 0.00 179.01 178.40 1a3y n LYS 28 N -3.18 1.36 0.00 1.92 4.76 -1.08 -4.40 118.16 117.54 1a3y n LYS 28 Ca 0.00 -0.83 0.00 0.00 -2.87 0.00 0.00 58.31 54.61 1a3y n LYS 28 Cb 0.32 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 1a3y n LYS 28 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1a3y n ILE 29 N -0.10 0.26 0.00 -0.18 -5.35 -1.17 -1.00 119.36 111.82 1a3y n ILE 29 Ca 0.16 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1a3y n ILE 29 Cb 0.37 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 1a3y n ILE 29 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a3y n GLY 30 N -0.13 -0.50 3.70 3.28 0.00 -1.23 -4.55 105.19 105.77 1a3y n GLY 30 Ca 0.00 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 1a3y n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a3y s GLU 31 N 0.00 4.30 0.00 1.61 8.01 -1.26 -3.08 118.70 128.28 1a3y s GLU 31 Ca 0.00 2.01 0.00 0.00 0.01 0.00 0.00 54.97 56.99 1a3y s GLU 31 Cb 0.00 -3.45 0.00 0.00 -4.31 0.00 0.00 34.13 26.37 1a3y s GLU 31 CO 0.00 -0.52 0.00 0.09 0.01 0.00 0.00 175.26 174.84 1a3y n ASN 32 N 4.80 -3.19 -4.73 -0.19 3.02 -1.26 -4.98 115.26 108.74 1a3y n ASN 32 Ca 0.12 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.37 1a3y n ASN 32 Cb 0.43 -2.38 0.13 0.00 -0.61 0.00 0.00 39.78 37.35 1a3y n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a3y s ALA 33 N -1.46 1.70 0.52 5.41 0.00 -1.18 -4.59 121.76 122.16 1a3y s ALA 33 Ca 0.00 0.02 0.18 0.00 0.00 0.00 0.00 51.96 52.15 1a3y s ALA 33 Cb 0.00 -3.21 1.30 0.00 0.00 0.00 0.00 23.12 21.20 1a3y s ALA 33 CO 0.00 -2.23 2.14 -1.00 0.00 0.00 0.00 175.76 174.67 1a3y h PRO 34 N -1.46 0.00 -0.54 0.00 0.13 -1.87 -3.24 132.00 125.02 1a3y h PRO 34 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1a3y h PRO 34 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1a3y h PRO 34 CO 0.54 0.03 0.00 1.19 -0.23 0.00 0.00 178.00 179.53 1a3y n PHE 35 N -4.41 1.30 -2.81 1.56 3.72 -0.17 -4.62 117.46 112.03 1a3y n PHE 35 Ca -0.03 -0.65 -0.44 0.00 -0.05 0.00 0.00 57.45 56.29 1a3y n PHE 35 Cb 0.12 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 1a3y n PHE 35 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1a3y n GLN 36 N 0.74 3.51 -3.22 -1.08 7.27 -1.23 -4.81 117.38 118.56 1a3y n GLN 36 Ca 0.23 -3.84 -0.40 0.00 0.07 0.00 0.00 57.00 53.06 1a3y n GLN 36 Cb 0.85 -2.94 -0.07 0.00 2.41 0.00 0.00 30.24 30.48 1a3y n GLN 36 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1a3y s VAL 37 N 0.79 5.05 -0.91 1.69 1.01 -1.26 -4.52 120.40 122.26 1a3y s VAL 37 Ca 0.40 0.85 -0.15 0.00 0.00 0.00 0.00 61.98 63.09 1a3y s VAL 37 Cb 0.00 -3.85 0.19 0.00 0.00 0.00 0.00 36.38 32.72 1a3y s VAL 37 CO 0.00 0.05 0.96 -0.36 0.00 0.00 0.00 175.10 175.75 1a3y s PHE 38 N 2.34 3.57 0.52 5.22 0.08 -0.48 -4.70 117.98 124.53 1a3y s PHE 38 Ca 0.21 -1.85 -0.23 0.00 0.12 0.00 0.00 56.93 55.19 1a3y s PHE 38 Cb -0.16 -4.01 -0.06 0.00 -0.57 0.00 0.00 43.02 38.23 1a3y s PHE 38 CO 0.10 -1.18 1.35 -1.64 -0.10 0.00 0.00 175.22 173.75 1a3y s MET 39 N 1.01 3.30 -0.01 0.44 -1.94 -1.26 -1.77 119.30 119.07 1a3y s MET 39 Ca 0.25 2.23 0.00 0.00 -1.71 0.00 0.00 55.69 56.47 1a3y s MET 39 Cb -0.08 -2.35 -0.01 0.00 2.01 0.00 0.00 34.83 34.40 1a3y s MET 39 CO -0.09 -1.06 -0.01 0.54 -0.01 0.00 0.00 175.02 174.40 1a3y n ARG 40 N -0.81 1.50 -3.57 2.03 5.12 -0.37 -3.92 116.66 116.64 1a3y n ARG 40 Ca 0.09 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.92 1a3y n ARG 40 Cb 0.45 -1.03 -0.05 0.00 -1.16 0.00 0.00 32.46 30.68 1a3y n ARG 40 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1a3y s SER 41 N -3.74 -0.33 -0.04 0.55 1.04 -0.92 -2.64 113.70 107.62 1a3y s SER 41 Ca -0.01 0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.74 1a3y s SER 41 Cb 0.00 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.43 1a3y s SER 41 CO 0.03 -0.35 -0.03 -0.63 0.98 0.00 0.00 173.24 173.24 1a3y s ILE 42 N -1.41 0.42 -0.14 -1.02 1.01 -0.87 -1.67 121.20 117.52 1a3y s ILE 42 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.61 1a3y s ILE 42 Cb -0.01 -0.47 0.02 0.00 0.01 0.00 0.00 42.46 42.01 1a3y s ILE 42 CO -0.01 0.20 -0.18 -1.61 0.00 0.00 0.00 174.94 173.34 1a3y s GLU 43 N 0.94 2.62 -0.43 2.79 8.01 -0.20 -1.46 118.70 130.97 1a3y s GLU 43 Ca -0.11 -0.70 -0.16 0.00 0.01 0.00 0.00 54.97 54.01 1a3y s GLU 43 Cb -0.14 -2.21 0.03 0.00 -4.31 0.00 0.00 34.13 27.50 1a3y s GLU 43 CO -0.00 -0.10 0.37 -0.06 0.01 0.00 0.00 175.26 175.48 1a3y s PHE 44 N 1.06 3.21 -1.11 1.61 0.40 -1.26 -0.77 117.98 121.12 1a3y s PHE 44 Ca -0.03 -0.57 -0.06 0.00 -0.60 0.00 0.00 56.93 55.66 1a3y s PHE 44 Cb -0.14 -2.82 0.29 0.00 0.51 0.00 0.00 43.02 40.85 1a3y s PHE 44 CO -0.05 -0.68 1.39 -3.47 0.70 0.00 0.00 175.22 173.11 1a3y n ASP 45 N 5.36 6.02 -0.03 1.36 -0.08 -0.75 -4.87 116.55 123.56 1a3y n ASP 45 Ca -0.10 -3.26 0.20 0.00 -1.51 0.00 0.00 54.79 50.12 1a3y n ASP 45 Cb 0.46 -1.33 0.68 0.00 2.34 0.00 0.00 41.12 43.27 1a3y n ASP 45 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1a3y h ASP 46 N 5.89 0.04 -0.23 1.67 5.19 -1.95 -0.35 116.42 126.68 1a3y h ASP 46 Ca 0.21 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.55 1a3y h ASP 46 Cb 0.70 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 1a3y h ASP 46 CO 1.25 0.02 -0.10 0.50 -3.12 0.00 0.00 179.24 177.79 1a3y h LYS 47 N 0.04 0.61 -0.46 3.56 3.64 -1.94 -2.91 116.57 119.10 1a3y h LYS 47 Ca 0.27 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1a3y h LYS 47 Cb 1.05 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1a3y h LYS 47 CO -0.01 0.70 0.00 0.39 -2.27 0.00 0.00 179.45 178.26 1a3y n GLU 48 N -4.20 3.03 -3.99 1.90 -0.58 -0.55 -5.00 120.64 111.26 1a3y n GLU 48 Ca 0.01 -2.45 -0.27 0.00 -0.42 0.00 0.00 57.16 54.03 1a3y n GLU 48 Cb 0.33 -1.53 -0.02 0.00 -0.57 0.00 0.00 31.44 29.64 1a3y n GLU 48 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1a3y n SER 49 N 0.69 -0.87 -4.08 1.62 7.64 -0.25 -4.94 113.62 113.43 1a3y n SER 49 Ca 0.18 -1.00 -0.22 0.00 1.01 0.00 0.00 58.87 58.84 1a3y n SER 49 Cb 0.62 -3.03 -0.09 0.00 -1.01 0.00 0.00 64.21 60.70 1a3y n SER 49 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1a3y s LYS 50 N -6.61 1.73 -0.07 1.43 1.02 -1.05 -0.74 119.74 115.44 1a3y s LYS 50 Ca 0.13 -2.01 -0.05 0.00 0.02 0.00 0.00 55.97 54.06 1a3y s LYS 50 Cb -0.07 -0.38 0.03 0.00 -0.52 0.00 0.00 37.83 36.89 1a3y s LYS 50 CO 0.89 -0.43 0.18 0.54 -0.92 0.00 0.00 175.35 175.61 1a3y s VAL 51 N -3.42 -0.02 -0.22 3.17 0.11 -0.02 -1.82 120.40 118.19 1a3y s VAL 51 Ca 0.32 0.07 -0.03 0.00 -2.93 0.00 0.00 61.98 59.40 1a3y s VAL 51 Cb 0.05 -0.27 -0.00 0.00 -1.53 0.00 0.00 36.38 34.62 1a3y s VAL 51 CO 0.16 0.03 -0.06 -0.31 -3.33 0.00 0.00 175.10 171.59 1a3y s TYR 52 N 0.56 2.95 -0.18 1.54 1.51 0.05 -0.91 117.35 122.87 1a3y s TYR 52 Ca -0.04 -1.10 -0.01 0.00 -1.01 0.00 0.00 57.07 54.91 1a3y s TYR 52 Cb -0.05 -2.08 0.00 0.00 -0.11 0.00 0.00 41.96 39.72 1a3y s TYR 52 CO -0.03 -0.60 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.17 1a3y s LEU 53 N 1.44 2.55 -0.10 -1.29 1.43 -0.94 -1.03 118.68 120.74 1a3y s LEU 53 Ca 0.05 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1a3y s LEU 53 Cb -0.14 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1a3y s LEU 53 CO -0.05 0.04 -0.23 0.21 0.23 0.00 0.00 176.35 176.55 1a3y s ASN 54 N 1.11 3.01 0.27 2.29 3.84 -0.67 -1.02 114.94 123.77 1a3y s ASN 54 Ca 0.00 -0.54 -0.20 0.00 0.21 0.00 0.00 52.86 52.33 1a3y s ASN 54 Cb -0.14 -1.36 0.05 0.00 -0.55 0.00 0.00 41.25 39.25 1a3y s ASN 54 CO -0.04 0.16 0.86 0.72 -2.79 0.00 0.00 177.10 176.01 1a3y s PHE 55 N 0.34 -0.01 0.21 0.43 -0.71 -0.88 -1.23 117.98 116.12 1a3y s PHE 55 Ca -0.18 -0.48 0.10 0.00 -1.04 0.00 0.00 56.93 55.33 1a3y s PHE 55 Cb -0.18 0.74 -0.04 0.00 -1.21 0.00 0.00 43.02 42.33 1a3y s PHE 55 CO 0.09 -1.21 -0.15 -0.06 -1.34 0.00 0.00 175.22 172.54 1a3y s PHE 56 N -2.86 2.48 -0.15 3.49 0.08 -0.73 -0.20 117.98 120.09 1a3y s PHE 56 Ca 0.15 -0.28 -0.17 0.00 0.12 0.00 0.00 56.93 56.75 1a3y s PHE 56 Cb -0.04 -1.19 0.05 0.00 -0.57 0.00 0.00 43.02 41.27 1a3y s PHE 56 CO 0.07 0.55 0.47 0.45 -0.10 0.00 0.00 175.22 176.66 1a3y s SER 57 N -2.94 -0.47 0.03 1.36 0.15 -0.66 -1.38 113.70 109.78 1a3y s SER 57 Ca 0.25 0.85 -0.14 0.00 0.70 0.00 0.00 55.95 57.61 1a3y s SER 57 Cb -0.08 0.87 -0.06 0.00 -1.71 0.00 0.00 66.02 65.05 1a3y s SER 57 CO 0.14 -0.22 0.42 -0.54 1.20 0.00 0.00 173.24 174.23 1a3y s LYS 58 N -0.00 3.89 -0.12 5.44 1.02 -1.26 -0.90 119.74 127.81 1a3y s LYS 58 Ca -0.02 0.38 -0.04 0.00 0.02 0.00 0.00 55.97 56.31 1a3y s LYS 58 Cb -0.03 -3.16 0.06 0.00 -0.52 0.00 0.00 37.83 34.18 1a3y s LYS 58 CO 0.02 0.65 0.20 -2.00 -0.92 0.00 0.00 175.35 173.30 1a3y s GLU 59 N -1.30 0.09 -1.50 1.68 2.12 -1.03 -4.25 118.70 114.52 1a3y s GLU 59 Ca 0.26 0.55 0.00 0.00 0.36 0.00 0.00 54.97 56.15 1a3y s GLU 59 Cb -0.16 -0.38 0.00 0.00 0.26 0.00 0.00 34.13 33.85 1a3y s GLU 59 CO 0.15 -0.36 0.00 0.09 -0.54 0.00 0.00 175.26 174.60 1a3y n ASN 60 N 5.33 -5.02 0.00 -1.70 3.02 -1.26 -2.67 115.26 112.96 1a3y n ASN 60 Ca -0.05 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1a3y n ASN 60 Cb 0.50 -4.10 0.00 0.00 -0.61 0.00 0.00 39.78 35.57 1a3y n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a3y n GLY 61 N -1.00 3.17 3.88 7.41 0.00 -1.26 -5.03 105.19 112.35 1a3y n GLY 61 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1a3y n GLY 61 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1a3y s ILE 62 N -1.82 5.23 0.14 -0.61 -5.25 -1.09 -5.00 121.20 112.80 1a3y s ILE 62 Ca 0.00 -0.34 -0.31 0.00 -0.99 0.00 0.00 60.65 59.01 1a3y s ILE 62 Cb 0.00 -3.49 -0.08 0.00 2.95 0.00 0.00 42.46 41.84 1a3y s ILE 62 CO 0.00 0.24 1.38 0.00 -1.79 0.00 0.00 174.94 174.77 1a3y s GLU 64 N 0.74 1.50 0.29 0.00 2.02 -0.08 -4.95 118.70 118.21 1a3y s GLU 64 Ca 0.63 -0.33 -0.25 0.00 0.02 0.00 0.00 54.97 55.03 1a3y s GLU 64 Cb -0.37 -1.72 -0.09 0.00 0.10 0.00 0.00 34.13 32.05 1a3y s GLU 64 CO 0.33 -0.32 0.89 -2.00 0.02 0.00 0.00 175.26 174.18 1a3y s GLU 65 N 1.69 4.54 0.09 1.61 2.12 -1.26 -1.66 118.70 125.82 1a3y s GLU 65 Ca 0.04 1.24 0.07 0.00 0.36 0.00 0.00 54.97 56.68 1a3y s GLU 65 Cb -0.13 -2.88 -0.03 0.00 0.26 0.00 0.00 34.13 31.34 1a3y s GLU 65 CO -0.08 0.34 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.73 1a3y s PHE 66 N -1.53 1.64 -0.37 5.30 0.08 0.72 -4.99 117.98 118.82 1a3y s PHE 66 Ca 0.47 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 57.11 1a3y s PHE 66 Cb -0.19 -0.91 0.14 0.00 -0.57 0.00 0.00 43.02 41.49 1a3y s PHE 66 CO 0.24 0.15 0.23 -1.12 -0.10 0.00 0.00 175.22 174.62 1a3y s SER 67 N -1.76 2.96 0.45 1.36 0.01 -1.26 -2.07 113.70 113.39 1a3y s SER 67 Ca 0.04 -2.34 0.05 0.00 1.31 0.00 0.00 55.95 55.01 1a3y s SER 67 Cb -0.10 -0.51 0.01 0.00 0.21 0.00 0.00 66.02 65.64 1a3y s SER 67 CO 0.03 -0.29 0.63 -0.76 0.41 0.00 0.00 173.24 173.26 1a3y s LEU 68 N 0.86 3.59 -0.05 2.44 1.43 -0.19 -4.95 118.68 121.81 1a3y s LEU 68 Ca 0.19 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1a3y s LEU 68 Cb -0.21 -2.79 0.03 0.00 0.03 0.00 0.00 46.19 43.25 1a3y s LEU 68 CO -0.01 -0.82 0.04 -0.63 0.23 0.00 0.00 176.35 175.16 1a3y s ILE 69 N -2.47 0.08 0.13 -0.59 1.01 -1.26 -2.21 121.20 115.89 1a3y s ILE 69 Ca 0.53 0.30 0.06 0.00 0.00 0.00 0.00 60.65 61.55 1a3y s ILE 69 Cb -0.10 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 1a3y s ILE 69 CO 0.35 0.21 -0.02 -0.83 0.00 0.00 0.00 174.94 174.65 1a3y s GLY 70 N 2.06 1.82 -0.13 6.18 0.00 -0.09 -4.73 107.32 112.43 1a3y s GLY 70 Ca 0.05 -1.24 -0.05 0.00 0.00 0.00 0.00 44.72 43.48 1a3y s GLY 70 CO -0.04 -1.23 0.04 -0.51 0.00 0.00 0.00 173.10 171.36 1a3y s THR 71 N -1.45 4.59 0.20 0.90 -4.23 0.09 -0.84 115.64 114.90 1a3y s THR 71 Ca 0.26 -0.12 -0.30 0.00 -1.18 0.00 0.00 61.69 60.34 1a3y s THR 71 Cb -0.11 -3.00 -0.08 0.00 1.34 0.00 0.00 72.50 70.65 1a3y s THR 71 CO 0.18 0.55 1.20 -0.75 -0.54 0.00 0.00 174.62 175.25 1a3y s LYS 72 N -0.34 4.49 0.00 3.99 2.20 0.09 -1.08 119.74 129.09 1a3y s LYS 72 Ca 0.08 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 57.59 1a3y s LYS 72 Cb -0.12 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1a3y s LYS 72 CO 0.02 -0.08 0.00 1.04 -0.36 0.00 0.00 175.35 175.97 1a3y n GLN 73 N 2.35 2.97 -1.60 4.03 1.13 -0.63 -4.93 117.38 120.70 1a3y n GLN 73 Ca 0.04 0.00 -0.45 0.00 -1.94 0.00 0.00 57.00 54.64 1a3y n GLN 73 Cb 0.44 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.77 1a3y n GLN 73 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1a3y n GLU 74 N 0.00 1.42 0.00 -1.09 -0.58 -1.26 -4.36 120.64 114.77 1a3y n GLU 74 Ca 0.00 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 1a3y n GLU 74 Cb 0.00 -1.94 0.00 0.00 -0.57 0.00 0.00 31.44 28.93 1a3y n GLU 74 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a3y n GLY 75 N 1.50 3.23 0.41 0.62 0.00 -1.26 -2.18 105.19 107.51 1a3y n GLY 75 Ca 0.11 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.02 1a3y n GLY 75 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a3y n ASN 76 N 7.69 2.67 -4.77 1.61 6.94 -1.26 -5.05 115.26 123.08 1a3y n ASN 76 Ca 0.00 -2.17 -0.35 0.00 -0.02 0.00 0.00 54.58 52.04 1a3y n ASN 76 Cb 0.00 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 1a3y n ASN 76 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1a3y s THR 77 N -1.30 3.14 -0.07 5.53 2.01 -0.93 -4.57 115.64 119.46 1a3y s THR 77 Ca 0.18 0.73 0.01 0.00 0.31 0.00 0.00 61.69 62.91 1a3y s THR 77 Cb 0.11 -3.30 0.02 0.00 0.01 0.00 0.00 72.50 69.34 1a3y s THR 77 CO 0.09 -0.14 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.51 1a3y s TYR 78 N -1.74 1.04 -0.11 4.92 2.02 -0.16 -1.60 117.35 121.70 1a3y s TYR 78 Ca 0.72 -0.38 -0.13 0.00 -0.37 0.00 0.00 57.07 56.91 1a3y s TYR 78 Cb -0.25 -0.89 -0.05 0.00 -0.40 0.00 0.00 41.96 40.38 1a3y s TYR 78 CO 0.28 -0.30 0.30 -0.51 -1.57 0.00 0.00 175.55 173.75 1a3y s ASP 79 N 1.20 6.53 -0.23 2.29 1.01 -0.24 -1.20 116.67 126.03 1a3y s ASP 79 Ca -0.06 0.62 -0.21 0.00 0.71 0.00 0.00 52.55 53.61 1a3y s ASP 79 Cb -0.14 -2.18 0.06 0.00 1.01 0.00 0.00 42.92 41.67 1a3y s ASP 79 CO -0.02 0.20 0.61 0.54 0.21 0.00 0.00 175.17 176.71 1a3y s VAL 80 N -0.14 -0.00 -0.13 -1.27 0.11 -1.02 -0.73 120.40 117.23 1a3y s VAL 80 Ca 0.18 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.08 1a3y s VAL 80 Cb -0.14 -0.84 -0.05 0.00 -1.53 0.00 0.00 36.38 33.82 1a3y s VAL 80 CO 0.06 0.00 0.36 0.20 -3.33 0.00 0.00 175.10 172.39 1a3y s ASN 81 N 0.33 6.55 0.00 3.54 0.02 -1.26 -1.07 114.94 123.06 1a3y s ASN 81 Ca -0.00 0.65 0.00 0.00 -1.02 0.00 0.00 52.86 52.49 1a3y s ASN 81 Cb -0.04 -2.22 0.00 0.00 0.02 0.00 0.00 41.25 39.01 1a3y s ASN 81 CO 0.01 0.11 0.00 0.00 0.02 0.00 0.00 177.10 177.23 1a3y n TYR 82 N 3.34 0.00 -4.02 2.20 9.36 -1.26 -4.96 117.16 121.82 1a3y n TYR 82 Ca -0.11 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.84 1a3y n TYR 82 Cb 0.52 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.20 1a3y n TYR 82 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1a3y n ALA 83 N 0.00 -1.98 0.00 2.98 0.00 -1.26 -4.50 120.51 115.75 1a3y n ALA 83 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1a3y n ALA 83 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1a3y n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a3y n GLY 84 N -2.05 -0.00 3.43 0.00 0.00 -1.26 -4.41 105.19 100.89 1a3y n GLY 84 Ca -0.30 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.29 1a3y n GLY 84 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a3y s ASN 85 N -4.00 4.15 0.15 1.61 0.01 -0.62 -4.57 114.94 111.68 1a3y s ASN 85 Ca 0.00 -0.24 0.11 0.00 -0.71 0.00 0.00 52.86 52.01 1a3y s ASN 85 Cb 0.00 -1.38 -0.04 0.00 0.41 0.00 0.00 41.25 40.24 1a3y s ASN 85 CO 0.00 0.23 -0.24 0.20 -1.51 0.00 0.00 177.10 175.78 1a3y s ASN 86 N -0.05 3.20 -0.33 -1.22 0.01 -0.23 -2.11 114.94 114.22 1a3y s ASN 86 Ca -0.02 -0.80 -0.01 0.00 -0.71 0.00 0.00 52.86 51.32 1a3y s ASN 86 Cb -0.14 -0.22 0.13 0.00 0.41 0.00 0.00 41.25 41.44 1a3y s ASN 86 CO 0.04 0.12 0.23 -0.54 -1.51 0.00 0.00 177.10 175.44 1a3y s LYS 87 N -2.35 0.44 0.21 -0.60 1.02 -1.12 -2.44 119.74 114.90 1a3y s LYS 87 Ca 0.16 -0.90 0.06 0.00 0.02 0.00 0.00 55.97 55.31 1a3y s LYS 87 Cb -0.09 -1.09 -0.04 0.00 -0.52 0.00 0.00 37.83 36.10 1a3y s LYS 87 CO 0.07 -1.14 0.16 -0.59 -0.92 0.00 0.00 175.35 172.94 1a3y s PHE 88 N 1.55 3.12 0.02 3.18 -0.71 -0.34 -2.93 117.98 121.88 1a3y s PHE 88 Ca 0.14 -0.06 0.01 0.00 -1.04 0.00 0.00 56.93 55.98 1a3y s PHE 88 Cb -0.19 -1.46 -0.02 0.00 -1.21 0.00 0.00 43.02 40.15 1a3y s PHE 88 CO -0.14 0.52 -0.05 0.08 -1.34 0.00 0.00 175.22 174.30 1a3y s VAL 89 N -1.93 0.30 -0.91 -2.49 1.01 0.00 -0.99 120.40 115.40 1a3y s VAL 89 Ca 0.32 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 1a3y s VAL 89 Cb -0.09 -0.37 0.15 0.00 0.00 0.00 0.00 36.38 36.07 1a3y s VAL 89 CO 0.24 -0.31 1.04 -0.69 0.00 0.00 0.00 175.10 175.38 1a3y s VAL 90 N -1.07 4.96 0.45 2.92 1.01 -1.26 -1.05 120.40 126.35 1a3y s VAL 90 Ca -0.09 -1.82 0.24 0.00 0.00 0.00 0.00 61.98 60.31 1a3y s VAL 90 Cb -0.08 -4.70 0.27 0.00 0.00 0.00 0.00 36.38 31.87 1a3y s VAL 90 CO -0.00 -1.39 2.08 0.28 0.00 0.00 0.00 175.10 176.07 1a3y h SER 91 N 8.55 0.00 -4.83 3.32 0.02 -1.59 -3.45 113.55 115.57 1a3y h SER 91 Ca 0.15 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 1a3y h SER 91 Cb 1.03 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.36 1a3y h SER 91 CO 1.02 0.12 -0.23 -0.47 -1.14 0.00 0.00 176.83 176.12 1a3y s TYR 92 N -4.39 -0.26 -0.22 3.45 5.04 -1.17 -4.98 117.35 114.83 1a3y s TYR 92 Ca -0.03 0.45 -0.09 0.00 -2.44 0.00 0.00 57.07 54.96 1a3y s TYR 92 Cb 0.14 0.13 0.09 0.00 0.35 0.00 0.00 41.96 42.68 1a3y s TYR 92 CO 0.61 -0.38 0.49 0.00 -1.34 0.00 0.00 175.55 174.93 1a3y s ALA 93 N -1.10 -1.40 0.34 3.97 0.00 -1.26 -1.72 121.76 120.60 1a3y s ALA 93 Ca -0.11 1.77 0.05 0.00 0.00 0.00 0.00 51.96 53.67 1a3y s ALA 93 Cb -0.04 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 1a3y s ALA 93 CO 0.04 -0.68 0.19 -1.54 0.00 0.00 0.00 175.76 173.77 1a3y s SER 94 N 2.39 1.95 0.53 0.00 1.04 0.21 -5.00 113.70 114.83 1a3y s SER 94 Ca -0.05 -1.67 0.36 0.00 0.48 0.00 0.00 55.95 55.07 1a3y s SER 94 Cb -0.11 0.49 1.83 0.00 0.10 0.00 0.00 66.02 68.34 1a3y s SER 94 CO -0.15 -0.97 2.08 1.05 0.98 0.00 0.00 173.24 176.24 1a3y h GLU 95 N 2.06 0.00 0.00 4.02 4.11 -2.02 -3.05 114.58 119.70 1a3y h GLU 95 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1a3y h GLU 95 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1a3y h GLU 95 CO 0.47 0.00 -1.09 0.25 0.07 0.00 0.00 179.01 178.71 1a3y n THR 96 N -2.82 0.00 -4.05 -1.06 -2.24 -1.26 -4.99 114.28 97.85 1a3y n THR 96 Ca -0.02 -0.17 -0.10 0.00 -2.27 0.00 0.00 64.05 61.50 1a3y n THR 96 Cb 0.12 0.48 -0.08 0.00 -2.10 0.00 0.00 70.33 68.74 1a3y n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a3y s ALA 97 N -2.25 0.43 -0.03 6.98 0.00 -1.16 -4.00 121.76 121.73 1a3y s ALA 97 Ca -0.01 -1.18 -0.02 0.00 0.00 0.00 0.00 51.96 50.75 1a3y s ALA 97 Cb 0.04 0.86 0.02 0.00 0.00 0.00 0.00 23.12 24.04 1a3y s ALA 97 CO 0.24 -0.57 0.08 -1.17 0.00 0.00 0.00 175.76 174.34 1a3y s LEU 98 N -3.01 1.36 -0.16 0.00 2.96 -0.86 -0.61 118.68 118.36 1a3y s LEU 98 Ca 0.21 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1a3y s LEU 98 Cb 0.05 0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.95 1a3y s LEU 98 CO 0.01 -0.08 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.17 1a3y s ILE 99 N 0.54 1.72 0.01 6.68 1.01 -0.70 -0.54 121.20 129.92 1a3y s ILE 99 Ca -0.04 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 1a3y s ILE 99 Cb -0.06 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1a3y s ILE 99 CO -0.02 0.48 0.11 -0.63 0.00 0.00 0.00 174.94 174.88 1a3y s ILE 100 N 1.41 4.89 -0.08 2.92 -1.09 -0.07 -1.44 121.20 127.75 1a3y s ILE 100 Ca 0.05 -0.40 0.04 0.00 -2.23 0.00 0.00 60.65 58.11 1a3y s ILE 100 Cb -0.13 -3.27 -0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1a3y s ILE 100 CO -0.11 0.31 -0.22 -0.44 -1.23 0.00 0.00 174.94 173.24 1a3y s SER 101 N -1.90 2.84 0.04 3.58 0.01 -0.22 -1.00 113.70 117.06 1a3y s SER 101 Ca 0.25 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 57.04 1a3y s SER 101 Cb -0.12 -1.09 -0.02 0.00 0.21 0.00 0.00 66.02 64.99 1a3y s SER 101 CO 0.17 0.17 -0.08 0.21 0.41 0.00 0.00 173.24 174.12 1a3y s ASN 102 N 0.19 0.84 -0.20 2.44 3.04 0.11 -0.82 114.94 120.54 1a3y s ASN 102 Ca -0.12 -0.54 -0.00 0.00 0.04 0.00 0.00 52.86 52.24 1a3y s ASN 102 Cb -0.16 0.03 0.05 0.00 -1.54 0.00 0.00 41.25 39.64 1a3y s ASN 102 CO 0.06 -0.20 -0.04 -0.63 -3.04 0.00 0.00 177.10 173.26 1a3y s ILE 103 N -1.34 1.21 -0.02 -5.21 1.01 -1.15 -0.61 121.20 115.07 1a3y s ILE 103 Ca -0.10 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1a3y s ILE 103 Cb -0.10 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1a3y s ILE 103 CO 0.00 -0.04 0.01 0.21 0.00 0.00 0.00 174.94 175.13 1a3y s ASN 104 N 1.56 5.23 -0.30 3.58 3.84 0.24 -2.78 114.94 126.30 1a3y s ASN 104 Ca -0.03 0.05 0.01 0.00 0.21 0.00 0.00 52.86 53.11 1a3y s ASN 104 Cb -0.17 -1.41 0.09 0.00 -0.55 0.00 0.00 41.25 39.20 1a3y s ASN 104 CO -0.07 0.31 0.05 -0.69 -2.79 0.00 0.00 177.10 173.91 1a3y s VAL 105 N -1.05 1.43 0.85 -5.21 1.01 -0.90 -0.19 120.40 116.35 1a3y s VAL 105 Ca 0.18 -1.65 -0.14 0.00 0.00 0.00 0.00 61.98 60.37 1a3y s VAL 105 Cb -0.12 -2.00 0.21 0.00 0.00 0.00 0.00 36.38 34.48 1a3y s VAL 105 CO 0.09 -0.54 0.69 -0.90 0.00 0.00 0.00 175.10 174.44 1a3y n ASP 106 N 4.63 -2.09 -0.04 3.32 5.68 -1.03 -1.58 116.55 125.44 1a3y n ASP 106 Ca -0.02 -0.87 0.17 0.00 -0.50 0.00 0.00 54.79 53.58 1a3y n ASP 106 Cb 0.42 -0.67 0.62 0.00 -1.14 0.00 0.00 41.12 40.36 1a3y n ASP 106 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1a3y h GLU 107 N 0.00 0.15 0.00 0.11 3.07 -1.93 -1.11 114.58 114.87 1a3y h GLU 107 Ca -0.27 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1a3y h GLU 107 Cb 0.84 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1a3y h GLU 107 CO 0.17 0.10 0.00 0.93 -1.40 0.00 0.00 179.01 178.81 1a3y h GLU 108 N 0.16 0.00 0.00 2.33 4.39 -1.98 -3.48 114.58 116.00 1a3y h GLU 108 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1a3y h GLU 108 Cb 0.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1a3y h GLU 108 CO -0.04 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.22 1a3y n GLY 109 N 1.11 0.91 3.74 -3.84 0.00 -0.42 -5.07 105.19 101.62 1a3y n GLY 109 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1a3y n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a3y s ASP 110 N -2.15 7.12 -0.14 1.61 1.01 -1.26 -4.82 116.67 118.04 1a3y s ASP 110 Ca 0.00 1.34 -0.19 0.00 0.71 0.00 0.00 52.55 54.41 1a3y s ASP 110 Cb 0.00 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 1a3y s ASP 110 CO 0.00 -0.01 0.54 -0.75 0.21 0.00 0.00 175.17 175.16 1a3y s LYS 111 N 0.16 4.30 -0.09 8.23 2.20 -1.26 -2.45 119.74 130.83 1a3y s LYS 111 Ca 0.37 0.53 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 1a3y s LYS 111 Cb -0.19 -3.49 0.02 0.00 -1.51 0.00 0.00 37.83 32.66 1a3y s LYS 111 CO 0.21 0.02 -0.08 0.99 -0.36 0.00 0.00 175.35 176.13 1a3y s THR 112 N 1.06 0.94 -0.18 3.43 2.01 0.73 -4.96 115.64 118.67 1a3y s THR 112 Ca 0.28 -0.27 -0.12 0.00 0.31 0.00 0.00 61.69 61.88 1a3y s THR 112 Cb -0.16 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.36 1a3y s THR 112 CO 0.11 0.34 0.23 -0.51 -0.69 0.00 0.00 174.62 174.10 1a3y s ILE 113 N 1.42 5.35 0.16 1.82 1.10 -1.26 -0.59 121.20 129.19 1a3y s ILE 113 Ca -0.01 0.39 0.05 0.00 -0.51 0.00 0.00 60.65 60.57 1a3y s ILE 113 Cb -0.13 -3.57 -0.05 0.00 0.15 0.00 0.00 42.46 38.87 1a3y s ILE 113 CO -0.04 0.40 -0.10 -0.04 -2.11 0.00 0.00 174.94 173.05 1a3y s MET 114 N 0.50 1.12 0.03 3.50 -1.94 0.21 -1.75 119.30 120.97 1a3y s MET 114 Ca 0.13 -1.49 -0.00 0.00 -1.71 0.00 0.00 55.69 52.62 1a3y s MET 114 Cb -0.12 -0.68 -0.03 0.00 2.01 0.00 0.00 34.83 36.01 1a3y s MET 114 CO 0.02 0.07 -0.03 0.95 -0.01 0.00 0.00 175.02 176.02 1a3y s THR 115 N -3.29 0.18 -0.10 2.05 -4.23 -0.36 0.08 115.64 109.96 1a3y s THR 115 Ca 0.18 -1.30 -0.12 0.00 -1.18 0.00 0.00 61.69 59.27 1a3y s THR 115 Cb 0.02 -0.81 0.03 0.00 1.34 0.00 0.00 72.50 73.09 1a3y s THR 115 CO 0.02 -0.70 0.33 -0.83 -0.54 0.00 0.00 174.62 172.90 1a3y s GLY 116 N -2.08 -0.23 -0.30 3.99 0.00 -0.17 -0.82 107.32 107.70 1a3y s GLY 116 Ca -0.06 0.82 -0.07 0.00 0.00 0.00 0.00 44.72 45.41 1a3y s GLY 116 CO -0.05 0.67 0.10 -2.27 0.00 0.00 0.00 173.10 171.55 1a3y s LEU 117 N -0.15 3.92 0.08 0.66 2.96 0.04 -0.89 118.68 125.30 1a3y s LEU 117 Ca -0.03 -0.67 0.04 0.00 -0.22 0.00 0.00 54.13 53.25 1a3y s LEU 117 Cb -0.03 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1a3y s LEU 117 CO 0.01 -0.20 0.02 -0.76 -1.32 0.00 0.00 176.35 174.11 1a3y s LEU 118 N 1.53 3.58 0.00 -0.68 1.43 0.30 -0.26 118.68 124.58 1a3y s LEU 118 Ca 0.03 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1a3y s LEU 118 Cb -0.17 -2.27 -0.00 0.00 0.03 0.00 0.00 46.19 43.78 1a3y s LEU 118 CO 0.03 0.19 0.09 0.61 0.23 0.00 0.00 176.35 177.49 1a3y n GLY 119 N 0.62 3.25 0.02 -3.19 0.00 0.57 -2.02 105.19 104.44 1a3y n GLY 119 Ca -0.10 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.51 1a3y n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a3y n LYS 120 N -0.12 0.07 0.00 1.61 4.01 -1.26 -0.38 118.16 122.09 1a3y n LYS 120 Ca 0.01 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 1a3y n LYS 120 Cb 0.12 -1.56 0.00 0.00 -0.51 0.00 0.00 35.03 33.08 1a3y n LYS 120 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1a3y n GLY 121 N 1.45 0.95 0.02 0.72 0.00 -1.26 -4.86 105.19 102.22 1a3y n GLY 121 Ca 0.06 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.63 1a3y n GLY 121 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a3y n THR 122 N 0.00 0.01 -3.69 2.61 -2.24 -1.26 -4.77 114.28 104.94 1a3y n THR 122 Ca 0.00 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.38 1a3y n THR 122 Cb 0.00 -0.29 -0.12 0.00 -2.10 0.00 0.00 70.33 67.83 1a3y n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a3y s ASP 123 N -1.62 5.46 0.08 3.42 -1.08 -1.26 -5.08 116.67 116.59 1a3y s ASP 123 Ca 0.30 -0.94 -0.20 0.00 -0.52 0.00 0.00 52.55 51.18 1a3y s ASP 123 Cb 0.14 -1.94 -0.07 0.00 -1.46 0.00 0.00 42.92 39.59 1a3y s ASP 123 CO 0.23 -0.31 0.60 -0.63 0.52 0.00 0.00 175.17 175.58 1a3y s ILE 124 N 1.50 4.70 -0.29 4.11 1.09 -1.26 -4.90 121.20 126.15 1a3y s ILE 124 Ca 0.01 1.28 -0.10 0.00 -1.10 0.00 0.00 60.65 60.74 1a3y s ILE 124 Cb -0.19 -3.93 -0.02 0.00 -1.06 0.00 0.00 42.46 37.26 1a3y s ILE 124 CO 0.05 0.54 0.16 -0.70 -0.10 0.00 0.00 174.94 174.88 1a3y s GLU 125 N -1.05 3.58 0.65 2.79 2.56 -1.26 -4.98 118.70 120.99 1a3y s GLU 125 Ca 0.30 -0.56 0.32 0.00 0.00 0.00 0.00 54.97 55.03 1a3y s GLU 125 Cb -0.20 -3.57 1.74 0.00 2.00 0.00 0.00 34.13 34.10 1a3y s GLU 125 CO 0.20 -0.31 2.00 0.22 -0.56 0.00 0.00 175.26 176.81 1a3y h ASP 126 N 8.35 0.00 -0.40 -1.70 3.58 -1.99 -0.93 116.42 123.33 1a3y h ASP 126 Ca -0.34 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.00 1a3y h ASP 126 Cb 1.16 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 1a3y h ASP 126 CO 0.59 0.00 -0.15 -0.61 -2.88 0.00 0.00 179.24 176.20 1a3y h GLN 127 N 0.00 0.88 0.00 0.28 4.15 -2.00 -1.30 115.11 117.12 1a3y h GLN 127 Ca 0.03 -0.33 -0.13 0.00 0.77 0.00 0.00 58.65 59.00 1a3y h GLN 127 Cb 0.60 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 1a3y h GLN 127 CO -0.00 0.97 -0.62 -0.44 -1.93 0.00 0.00 178.83 176.81 1a3y h ASP 128 N 0.78 0.00 -0.26 -0.69 3.32 -1.60 -3.07 116.42 114.90 1a3y h ASP 128 Ca 0.12 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.98 1a3y h ASP 128 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1a3y h ASP 128 CO 0.05 0.62 -0.57 0.25 -1.72 0.00 0.00 179.24 177.86 1a3y h LEU 129 N 0.00 0.97 -0.77 1.55 6.46 -1.30 -1.54 115.31 120.68 1a3y h LEU 129 Ca -0.01 -0.53 -0.09 0.00 -0.12 0.00 0.00 57.88 57.14 1a3y h LEU 129 Cb 1.27 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.90 1a3y h LEU 129 CO 0.08 1.33 -0.00 -0.33 -0.62 0.00 0.00 178.44 178.90 1a3y h GLU 130 N 0.66 0.93 -0.51 1.25 4.39 -1.26 0.48 114.58 120.53 1a3y h GLU 130 Ca 0.01 -0.27 -0.12 0.00 0.34 0.00 0.00 59.36 59.31 1a3y h GLU 130 Cb 1.19 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 1a3y h GLU 130 CO 0.13 0.92 -0.17 0.87 -1.16 0.00 0.00 179.01 179.60 1a3y h LYS 131 N 0.86 1.00 -0.48 2.33 1.79 -1.50 -0.45 116.57 120.13 1a3y h LYS 131 Ca 0.16 -0.40 -0.05 0.00 -2.18 0.00 0.00 60.65 58.18 1a3y h LYS 131 Cb 0.51 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 1a3y h LYS 131 CO 0.03 1.08 0.11 0.35 -1.08 0.00 0.00 179.45 179.93 1a3y h PHE 132 N 0.88 0.81 -0.11 -1.35 3.57 -0.92 -1.01 116.94 118.80 1a3y h PHE 132 Ca 0.12 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 1a3y h PHE 132 Cb 0.74 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1a3y h PHE 132 CO 0.05 0.74 -0.28 0.87 -2.23 0.00 0.00 178.31 177.46 1a3y h LYS 133 N 0.65 0.20 -0.29 1.11 1.57 -0.73 -1.09 116.57 117.99 1a3y h LYS 133 Ca 0.15 -0.07 -0.18 0.00 -1.87 0.00 0.00 60.65 58.68 1a3y h LYS 133 Cb 0.34 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1a3y h LYS 133 CO 0.00 0.47 -0.53 1.49 -0.57 0.00 0.00 179.45 180.32 1a3y h GLU 134 N 0.18 0.84 -0.30 3.15 4.81 -0.74 -1.97 114.58 120.56 1a3y h GLU 134 Ca 0.03 -0.52 -0.13 0.00 -0.13 0.00 0.00 59.36 58.61 1a3y h GLU 134 Cb 0.60 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1a3y h GLU 134 CO 0.04 1.16 -0.30 0.28 -0.73 0.00 0.00 179.01 179.45 1a3y h VAL 135 N 0.65 1.30 -0.37 0.32 2.07 -0.96 -2.22 116.25 117.04 1a3y h VAL 135 Ca 0.02 -1.47 0.05 0.00 0.82 0.00 0.00 66.70 66.11 1a3y h VAL 135 Cb 1.13 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 1a3y h VAL 135 CO 0.12 0.47 0.11 0.74 0.02 0.00 0.00 177.57 179.04 1a3y h THR 136 N 0.49 0.87 -0.90 2.57 2.02 -1.17 -2.21 112.91 114.58 1a3y h THR 136 Ca 0.05 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1a3y h THR 136 Cb 0.88 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1a3y h THR 136 CO 0.08 0.05 0.48 -0.09 0.37 0.00 0.00 175.52 176.40 1a3y h ARG 137 N 0.26 1.26 0.00 6.66 2.43 -1.26 -2.05 114.38 121.67 1a3y h ARG 137 Ca 0.17 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1a3y h ARG 137 Cb 0.16 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1a3y h ARG 137 CO -0.19 0.93 -0.14 0.93 -1.51 0.00 0.00 179.97 179.99 1a3y h GLU 138 N 1.26 0.00 -0.45 0.20 5.08 -0.83 0.42 114.58 120.26 1a3y h GLU 138 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1a3y h GLU 138 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1a3y h GLU 138 CO -0.05 0.14 0.00 0.09 -1.00 0.00 0.00 179.01 178.19 1a3y n ASN 139 N -3.98 1.51 -1.35 1.42 3.02 -0.80 -4.87 115.26 110.21 1a3y n ASN 139 Ca -0.02 -2.09 -0.16 0.00 -0.03 0.00 0.00 54.58 52.28 1a3y n ASN 139 Cb 0.23 -0.29 -0.05 0.00 -0.61 0.00 0.00 39.78 39.06 1a3y n ASN 139 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a3y n GLY 140 N 0.58 1.15 3.68 7.41 0.00 0.14 -4.98 105.19 113.16 1a3y n GLY 140 Ca 0.07 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1a3y n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a3y s ILE 141 N -2.63 5.24 0.61 -0.61 1.01 -1.02 -5.03 121.20 118.76 1a3y s ILE 141 Ca 0.00 0.62 -0.14 0.00 0.00 0.00 0.00 60.65 61.13 1a3y s ILE 141 Cb 0.00 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1a3y s ILE 141 CO 0.00 0.29 1.04 -2.16 0.00 0.00 0.00 174.94 174.11 1a3y s PRO 142 N 1.13 3.37 0.46 2.79 0.04 -1.26 -3.95 135.00 137.59 1a3y s PRO 142 Ca 0.17 1.00 0.13 0.00 0.04 0.00 0.00 61.00 62.35 1a3y s PRO 142 Cb -0.14 -2.05 1.08 0.00 0.04 0.00 0.00 34.50 33.43 1a3y s PRO 142 CO 0.07 -0.75 2.07 1.49 0.04 0.00 0.00 177.00 179.91 1a3y h GLU 143 N 0.05 0.28 0.00 4.56 4.22 -1.97 -0.74 114.58 120.98 1a3y h GLU 143 Ca -0.45 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.97 1a3y h GLU 143 Cb 1.20 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1a3y h GLU 143 CO 0.59 0.18 0.00 -0.85 -2.18 0.00 0.00 179.01 176.75 1a3y n GLU 144 N -4.49 0.06 -0.66 1.92 0.28 -1.26 -2.34 120.64 114.16 1a3y n GLU 144 Ca 0.03 0.35 0.06 0.00 -0.16 0.00 0.00 57.16 57.45 1a3y n GLU 144 Cb 0.19 -1.63 0.32 0.00 1.43 0.00 0.00 31.44 31.74 1a3y n GLU 144 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1a3y n ASN 145 N -1.75 4.59 -4.63 -1.84 5.03 -0.28 -4.90 115.26 111.48 1a3y n ASN 145 Ca 0.02 -2.63 -0.34 0.00 0.87 0.00 0.00 54.58 52.49 1a3y n ASN 145 Cb 0.16 -0.61 -0.10 0.00 -1.02 0.00 0.00 39.78 38.20 1a3y n ASN 145 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a3y s ILE 146 N -2.23 4.28 -0.05 2.41 1.01 -0.99 -2.83 121.20 122.81 1a3y s ILE 146 Ca 0.44 -0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.91 1a3y s ILE 146 Cb 0.32 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 1a3y s ILE 146 CO 0.15 0.55 -0.24 0.54 0.00 0.00 0.00 174.94 175.94 1a3y s VAL 147 N -0.35 1.96 -0.37 2.92 0.11 -0.69 -5.00 120.40 118.99 1a3y s VAL 147 Ca 0.07 -1.02 -0.28 0.00 -2.93 0.00 0.00 61.98 57.82 1a3y s VAL 147 Cb -0.12 -1.65 0.02 0.00 -1.53 0.00 0.00 36.38 33.09 1a3y s VAL 147 CO 0.02 0.55 1.02 0.21 -3.33 0.00 0.00 175.10 173.57 1a3y s ASN 148 N -0.22 6.77 0.23 3.54 3.04 -1.26 -2.40 114.94 124.64 1a3y s ASN 148 Ca -0.01 0.75 0.23 0.00 0.04 0.00 0.00 52.86 53.86 1a3y s ASN 148 Cb -0.13 -2.51 0.03 0.00 -1.54 0.00 0.00 41.25 37.11 1a3y s ASN 148 CO 0.03 -0.94 1.10 0.40 -3.04 0.00 0.00 177.10 174.65 1a3y h ILE 149 N 5.86 0.00 0.00 -5.21 1.08 -0.72 -3.34 117.51 115.17 1a3y h ILE 149 Ca -0.22 -1.00 -0.09 0.00 -0.39 0.00 0.00 64.86 63.16 1a3y h ILE 149 Cb 1.07 1.54 -0.01 0.00 -3.07 0.00 0.00 36.82 36.35 1a3y h ILE 149 CO 1.03 0.00 -0.42 0.40 -0.69 0.00 0.00 178.15 178.47 1a3y h ILE 150 N 0.00 1.17 0.00 -0.67 2.04 -1.72 0.27 117.51 118.60 1a3y h ILE 150 Ca 0.00 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.37 1a3y h ILE 150 Cb 1.00 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 1a3y h ILE 150 CO 0.00 0.41 0.00 -0.33 0.00 0.00 0.00 178.15 178.23 1a3y h GLU 151 N 0.00 0.00 0.00 2.37 5.08 -1.90 -3.25 114.58 116.89 1a3y h GLU 151 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a3y h GLU 151 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1a3y h GLU 151 CO 0.05 0.00 -1.11 0.54 -1.00 0.00 0.00 179.01 177.50 1a3y n ARG 152 N -2.64 1.39 -2.46 2.33 1.74 -0.78 -4.87 116.66 111.36 1a3y n ARG 152 Ca 0.04 -0.06 -0.39 0.00 -0.77 0.00 0.00 57.85 56.68 1a3y n ARG 152 Cb 0.43 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 1a3y n ARG 152 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1a3y s ASP 153 N -2.97 6.19 -0.18 0.55 2.15 0.02 -4.71 116.67 117.72 1a3y s ASP 153 Ca 0.01 -1.08 0.16 0.00 0.43 0.00 0.00 52.55 52.07 1a3y s ASP 153 Cb 0.11 -2.56 0.42 0.00 -0.30 0.00 0.00 42.92 40.58 1a3y s ASP 153 CO 0.64 -1.79 1.30 -0.90 -0.17 0.00 0.00 175.17 174.24 1a3y n ASP 154 N 9.89 2.87 -4.90 -0.34 5.68 -1.26 -4.99 116.55 123.50 1a3y n ASP 154 Ca 0.28 -3.23 -0.28 0.00 -0.50 0.00 0.00 54.79 51.07 1a3y n ASP 154 Cb 0.50 -0.51 0.01 0.00 -1.14 0.00 0.00 41.12 39.98 1a3y n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a3y n PRO 156 N -2.42 2.56 0.00 0.00 -0.02 -1.26 -5.17 135.00 128.70 1a3y n PRO 156 Ca 0.02 0.91 0.01 0.00 -2.02 0.00 0.00 63.50 62.42 1a3y n PRO 156 Cb 0.55 -2.65 0.03 0.00 -0.02 0.00 0.00 33.50 31.42 1a3y n PRO 156 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48