#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4d s HIS 8 N 0.00 0.15 0.31 -1.77 -3.43 -1.26 -5.14 115.29 104.15 3d4d s HIS 8 Ca 0.00 0.06 -0.28 0.00 -0.80 0.00 0.00 55.06 54.04 3d4d s HIS 8 Cb 0.00 -0.30 -0.10 0.00 -1.43 0.00 0.00 32.58 30.76 3d4d s HIS 8 CO 0.00 -0.10 1.15 0.15 -2.00 0.00 0.00 174.74 173.94 3d4d s LYS 9 N 0.96 4.49 0.05 -0.38 1.02 -1.26 -4.53 119.74 120.08 3d4d s LYS 9 Ca -0.09 1.88 0.05 0.00 0.02 0.00 0.00 55.97 57.84 3d4d s LYS 9 Cb -0.12 -3.07 -0.02 0.00 -0.52 0.00 0.00 37.83 34.10 3d4d s LYS 9 CO -0.02 0.05 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.09 3d4d s GLU 10 N -1.68 1.01 0.58 1.68 2.02 0.16 -4.93 118.70 117.54 3d4d s GLU 10 Ca 0.48 -0.83 -0.19 0.00 0.02 0.00 0.00 54.97 54.45 3d4d s GLU 10 Cb -0.33 -1.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.81 3d4d s GLU 10 CO 0.43 0.26 1.16 -1.25 0.02 0.00 0.00 175.26 175.88 3d4d s PRO 11 N -1.23 3.11 0.06 0.39 0.04 -1.26 0.80 135.00 136.90 3d4d s PRO 11 Ca 0.03 1.68 -0.23 0.00 0.04 0.00 0.00 61.00 62.52 3d4d s PRO 11 Cb -0.08 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.55 3d4d s PRO 11 CO 0.02 -1.06 0.54 0.00 0.04 0.00 0.00 177.00 176.53 3d4d s ALA 12 N -1.76 -1.38 -0.03 8.56 0.00 -0.73 -4.63 121.76 121.78 3d4d s ALA 12 Ca 0.74 0.62 0.05 0.00 0.00 0.00 0.00 51.96 53.37 3d4d s ALA 12 Cb -0.26 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 3d4d s ALA 12 CO 0.31 -0.53 -0.16 0.99 0.00 0.00 0.00 175.76 176.37 3d4d s THR 13 N -2.55 2.94 0.16 0.00 2.01 -0.52 -4.01 115.64 113.67 3d4d s THR 13 Ca -0.05 -0.83 -0.31 0.00 0.31 0.00 0.00 61.69 60.82 3d4d s THR 13 Cb -0.01 -2.16 -0.09 0.00 0.01 0.00 0.00 72.50 70.26 3d4d s THR 13 CO -0.02 0.55 1.39 -0.22 -0.69 0.00 0.00 174.62 175.63 3d4d s LEU 14 N -0.85 4.39 -0.21 4.42 2.96 -1.26 0.13 118.68 128.25 3d4d s LEU 14 Ca 0.12 2.43 -0.16 0.00 -0.22 0.00 0.00 54.13 56.30 3d4d s LEU 14 Cb -0.11 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 3d4d s LEU 14 CO 0.01 -0.64 -0.30 -0.38 -1.32 0.00 0.00 176.35 173.72 3d4d n ILE 15 N 3.34 1.50 -3.60 6.68 5.41 0.14 -4.77 119.36 128.05 3d4d n ILE 15 Ca 0.10 -0.04 -0.14 0.00 1.00 0.00 0.00 62.75 63.67 3d4d n ILE 15 Cb 0.42 -2.18 -0.07 0.00 -0.71 0.00 0.00 39.64 37.10 3d4d n ILE 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3d4d s LYS 16 N -2.68 0.81 0.56 0.38 1.02 -0.54 -5.03 119.74 114.26 3d4d s LYS 16 Ca -0.31 0.68 -0.20 0.00 0.02 0.00 0.00 55.97 56.16 3d4d s LYS 16 Cb 0.08 0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 37.73 3d4d s LYS 16 CO 0.44 -0.15 1.25 0.00 -0.92 0.00 0.00 175.35 175.97 3d4d s ALA 17 N -0.14 2.69 0.06 5.17 0.00 -1.26 -0.96 121.76 127.32 3d4d s ALA 17 Ca -0.02 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3d4d s ALA 17 Cb -0.03 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3d4d s ALA 17 CO 0.02 -1.17 0.00 -0.89 0.00 0.00 0.00 175.76 173.72 3d4d n ILE 18 N -1.23 0.36 -2.36 0.00 5.41 -1.13 -4.84 119.36 115.57 3d4d n ILE 18 Ca 0.12 0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.99 3d4d n ILE 18 Cb 0.48 -1.26 0.00 0.00 -0.71 0.00 0.00 39.64 38.15 3d4d n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3d4d n ASP 19 N -3.12 0.00 -0.23 4.38 5.75 -0.95 -4.98 116.55 117.41 3d4d n ASP 19 Ca 0.00 -0.35 0.15 0.00 -0.01 0.00 0.00 54.79 54.59 3d4d n ASP 19 Cb 0.22 0.00 0.46 0.00 -1.03 0.00 0.00 41.12 40.77 3d4d n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3d4d h GLY 20 N 0.00 0.93 -0.09 6.12 0.00 -1.81 -3.15 103.07 105.07 3d4d h GLY 20 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3d4d h GLY 20 CO 0.00 0.05 -0.04 2.09 0.00 0.00 0.00 176.54 178.63 3d4d n ASP 21 N -4.52 1.27 -4.11 0.19 5.68 -1.26 -4.81 116.55 108.98 3d4d n ASP 21 Ca 0.17 -1.85 -0.24 0.00 -0.50 0.00 0.00 54.79 52.37 3d4d n ASP 21 Cb 0.57 -0.08 -0.16 0.00 -1.14 0.00 0.00 41.12 40.31 3d4d n ASP 21 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3d4d s THR 22 N -0.87 1.24 -0.00 2.12 -4.23 -1.19 -0.85 115.64 111.85 3d4d s THR 22 Ca 0.04 -0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 59.91 3d4d s THR 22 Cb 0.04 -1.05 -0.00 0.00 1.34 0.00 0.00 72.50 72.82 3d4d s THR 22 CO 0.00 0.36 0.02 0.54 -0.54 0.00 0.00 174.62 175.00 3d4d s VAL 23 N -0.13 0.01 -0.29 2.29 0.11 0.06 -2.23 120.40 120.22 3d4d s VAL 23 Ca 0.01 -0.12 -0.12 0.00 -2.93 0.00 0.00 61.98 58.82 3d4d s VAL 23 Cb -0.08 -0.07 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 3d4d s VAL 23 CO 0.01 -0.07 0.22 -0.75 -3.33 0.00 0.00 175.10 171.18 3d4d s LYS 24 N -0.19 3.87 0.19 1.54 2.20 -0.14 0.53 119.74 127.74 3d4d s LYS 24 Ca -0.02 -0.35 0.09 0.00 -0.36 0.00 0.00 55.97 55.33 3d4d s LYS 24 Cb -0.01 -3.69 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 3d4d s LYS 24 CO -0.00 -0.24 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.06 3d4d s LEU 25 N 1.79 2.50 -0.36 5.43 1.43 -0.04 -0.69 118.68 128.74 3d4d s LEU 25 Ca 0.08 -0.94 -0.19 0.00 -1.03 0.00 0.00 54.13 52.05 3d4d s LEU 25 Cb -0.16 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.24 3d4d s LEU 25 CO 0.11 -0.07 0.58 -0.32 0.23 0.00 0.00 176.35 176.88 3d4d s MET 26 N -3.17 3.63 -0.09 1.70 -2.45 0.34 -0.94 119.30 118.32 3d4d s MET 26 Ca 0.20 -0.08 0.03 0.00 -1.25 0.00 0.00 55.69 54.59 3d4d s MET 26 Cb -0.04 -3.82 0.01 0.00 1.25 0.00 0.00 34.83 32.23 3d4d s MET 26 CO 0.08 -0.70 -0.18 -0.47 1.05 0.00 0.00 175.02 174.79 3d4d s TYR 27 N 2.55 2.03 -1.24 4.11 5.04 -0.29 -1.44 117.35 128.11 3d4d s TYR 27 Ca 0.21 -0.82 -0.06 0.00 -2.44 0.00 0.00 57.07 53.96 3d4d s TYR 27 Cb -0.15 -1.41 0.04 0.00 0.35 0.00 0.00 41.96 40.80 3d4d s TYR 27 CO 0.14 -0.36 0.37 1.63 -1.34 0.00 0.00 175.55 175.99 3d4d n LYS 28 N 3.71 -3.28 -0.94 4.97 5.02 -1.26 -1.45 118.16 124.92 3d4d n LYS 28 Ca -0.21 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 3d4d n LYS 28 Cb 0.52 -5.25 0.00 0.00 -0.02 0.00 0.00 35.03 30.28 3d4d n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d4d n GLY 29 N -1.12 0.56 3.20 0.72 0.00 -1.26 -5.05 105.19 102.25 3d4d n GLY 29 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 3d4d n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d4d s GLN 30 N -0.06 1.37 0.36 1.61 -1.52 -0.53 -5.09 119.66 115.79 3d4d s GLN 30 Ca 0.00 -0.79 -0.28 0.00 -1.95 0.00 0.00 55.36 52.34 3d4d s GLN 30 Cb 0.00 -1.40 -0.11 0.00 -0.22 0.00 0.00 33.01 31.29 3d4d s GLN 30 CO 0.00 0.37 1.46 -1.25 -0.25 0.00 0.00 175.29 175.62 3d4d s PRO 31 N -0.83 4.16 -0.27 2.91 0.04 -1.26 -1.13 135.00 138.62 3d4d s PRO 31 Ca 0.06 2.49 -0.15 0.00 0.04 0.00 0.00 61.00 63.45 3d4d s PRO 31 Cb -0.08 -3.00 0.08 0.00 0.04 0.00 0.00 34.50 31.54 3d4d s PRO 31 CO 0.01 -0.47 0.65 1.41 0.04 0.00 0.00 177.00 178.64 3d4d s MET 32 N -1.83 0.66 -0.06 4.56 1.75 -0.12 -4.90 119.30 119.36 3d4d s MET 32 Ca 0.53 1.19 -0.30 0.00 -1.25 0.00 0.00 55.69 55.87 3d4d s MET 32 Cb -0.45 0.17 -0.03 0.00 2.84 0.00 0.00 34.83 37.36 3d4d s MET 32 CO 0.59 -0.15 1.09 0.99 -0.65 0.00 0.00 175.02 176.88 3d4d s THR 33 N 1.70 4.55 -0.13 10.11 2.01 -1.26 -0.86 115.64 131.75 3d4d s THR 33 Ca -0.10 1.84 -0.01 0.00 0.31 0.00 0.00 61.69 63.73 3d4d s THR 33 Cb -0.06 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 3d4d s THR 33 CO -0.19 0.04 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.31 3d4d s PHE 34 N 1.83 2.86 -0.23 4.92 0.40 0.19 -0.03 117.98 127.92 3d4d s PHE 34 Ca 0.52 -0.52 -0.09 0.00 -0.60 0.00 0.00 56.93 56.25 3d4d s PHE 34 Cb -0.22 -1.86 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 3d4d s PHE 34 CO 0.22 -0.14 0.10 0.50 0.70 0.00 0.00 175.22 176.61 3d4d s ARG 35 N 0.28 3.89 0.23 0.44 6.06 0.54 -0.76 118.95 129.62 3d4d s ARG 35 Ca -0.08 -0.37 -0.31 0.00 -2.50 0.00 0.00 55.73 52.47 3d4d s ARG 35 Cb -0.15 -3.38 -0.11 0.00 0.06 0.00 0.00 34.95 31.37 3d4d s ARG 35 CO 0.05 0.02 1.63 -0.51 -2.50 0.00 0.00 175.30 173.99 3d4d s LEU 36 N 1.11 4.36 0.36 -0.88 1.02 -0.03 -3.05 118.68 121.58 3d4d s LEU 36 Ca 0.05 2.83 -0.27 0.00 0.02 0.00 0.00 54.13 56.77 3d4d s LEU 36 Cb -0.14 -3.61 -0.09 0.00 0.02 0.00 0.00 46.19 42.37 3d4d s LEU 36 CO 0.04 -0.91 1.25 -0.76 0.02 0.00 0.00 176.35 175.99 3d4d s LEU 37 N 0.53 4.32 0.00 1.79 1.43 -0.68 -4.06 118.68 122.01 3d4d s LEU 37 Ca 0.69 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 56.34 3d4d s LEU 37 Cb -0.47 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 41.93 3d4d s LEU 37 CO 0.38 -0.62 0.00 0.18 0.23 0.00 0.00 176.35 176.51 3d4d n LEU 38 N 0.46 0.33 -4.35 1.79 4.77 -1.26 -4.93 117.00 113.81 3d4d n LEU 38 Ca 0.02 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.82 3d4d n LEU 38 Cb 0.44 -0.97 -0.10 0.00 -2.33 0.00 0.00 43.42 40.45 3d4d n LEU 38 CO 0.55 -0.28 -0.34 0.68 -1.33 0.00 0.00 177.39 176.67 3d4d s VAL 39 N -2.05 1.18 -0.18 4.08 -7.23 -1.19 -1.90 120.40 113.11 3d4d s VAL 39 Ca 0.00 -2.05 -0.04 0.00 -1.81 0.00 0.00 61.98 58.07 3d4d s VAL 39 Cb 0.00 -2.36 0.07 0.00 0.56 0.00 0.00 36.38 34.66 3d4d s VAL 39 CO 0.00 -0.33 0.16 -0.62 -0.31 0.00 0.00 175.10 174.00 3d4d s ASP 40 N -3.33 1.79 0.28 4.85 2.15 0.23 -4.72 116.67 117.92 3d4d s ASP 40 Ca 0.28 -0.37 -0.12 0.00 0.43 0.00 0.00 52.55 52.78 3d4d s ASP 40 Cb 0.05 0.08 -0.08 0.00 -0.30 0.00 0.00 42.92 42.68 3d4d s ASP 40 CO 0.09 -0.33 0.64 0.42 -0.17 0.00 0.00 175.17 175.82 3d4d s THR 41 N 2.24 4.82 0.58 1.71 -4.23 -1.26 -1.44 115.64 118.06 3d4d s THR 41 Ca 0.04 0.66 -0.19 0.00 -1.18 0.00 0.00 61.69 61.02 3d4d s THR 41 Cb -0.16 -3.63 -0.05 0.00 1.34 0.00 0.00 72.50 70.00 3d4d s THR 41 CO -0.10 -0.16 0.96 -2.65 -0.54 0.00 0.00 174.62 172.13 3d4d n PRO 42 N -0.34 0.95 -1.54 3.99 -0.02 -1.26 -4.91 135.00 131.87 3d4d n PRO 42 Ca 0.02 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.54 3d4d n PRO 42 Cb 0.53 -2.15 0.07 0.00 -0.02 0.00 0.00 33.50 31.93 3d4d n PRO 42 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3d4d s GLU 43 N -2.66 2.48 0.34 -0.52 0.41 -1.26 -4.59 118.70 112.89 3d4d s GLU 43 Ca 0.74 1.40 0.08 0.00 -0.41 0.00 0.00 54.97 56.78 3d4d s GLU 43 Cb -0.43 -1.91 0.80 0.00 -1.78 0.00 0.00 34.13 30.81 3d4d s GLU 43 CO 0.48 -1.50 1.83 0.35 -0.49 0.00 0.00 175.26 175.93 3d4d h PHE 50 N -0.39 0.90 0.00 1.61 3.57 -1.95 -0.29 116.94 120.40 3d4d h PHE 50 Ca -0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3d4d h PHE 50 Cb 1.25 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.71 3d4d h PHE 50 CO 0.54 0.28 0.00 0.27 -2.23 0.00 0.00 178.31 177.17 3d4d n ASN 51 N -4.62 0.00 -4.81 0.41 0.23 -1.26 -3.80 115.26 101.41 3d4d n ASN 51 Ca 0.20 -0.93 -0.22 0.00 -0.53 0.00 0.00 54.58 53.10 3d4d n ASN 51 Cb 0.53 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.18 3d4d n ASN 51 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3d4d s GLU 52 N -2.00 2.47 0.14 -3.83 2.02 -0.12 -5.04 118.70 112.34 3d4d s GLU 52 Ca 0.34 -1.54 -0.31 0.00 0.02 0.00 0.00 54.97 53.48 3d4d s GLU 52 Cb 0.16 -2.27 -0.10 0.00 0.10 0.00 0.00 34.13 32.02 3d4d s GLU 52 CO 0.27 -0.03 1.67 0.21 0.02 0.00 0.00 175.26 177.39 3d4d s LYS 53 N -3.98 4.18 0.00 1.61 2.20 -1.26 -1.17 119.74 121.32 3d4d s LYS 53 Ca 0.42 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.47 3d4d s LYS 53 Cb -0.02 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 3d4d s LYS 53 CO 0.25 -0.71 0.00 0.66 -0.36 0.00 0.00 175.35 175.19 3d4d n TYR 54 N 4.76 0.00 0.35 4.03 4.01 -1.26 -4.78 117.16 124.26 3d4d n TYR 54 Ca 0.15 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.72 3d4d n TYR 54 Cb 0.38 -1.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.33 3d4d n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3d4d h GLY 55 N 0.00 -0.89 1.12 2.72 0.00 -1.29 -0.73 103.07 104.00 3d4d h GLY 55 Ca 0.00 0.33 0.06 0.00 0.00 0.00 0.00 47.33 47.72 3d4d h GLY 55 CO 0.00 -0.32 0.43 -2.55 0.00 0.00 0.00 176.54 174.10 3d4d h PRO 56 N -0.91 0.64 -0.15 4.80 0.11 -1.76 -1.06 132.00 133.67 3d4d h PRO 56 Ca -0.09 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.80 3d4d h PRO 56 Cb 0.67 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.65 3d4d h PRO 56 CO 0.14 0.42 -0.64 0.93 -0.21 0.00 0.00 178.00 178.64 3d4d h GLU 57 N 0.66 0.70 -0.53 1.05 3.07 -1.93 -1.30 114.58 116.29 3d4d h GLU 57 Ca 0.28 -0.55 -0.11 0.00 -0.50 0.00 0.00 59.36 58.48 3d4d h GLU 57 Cb 0.27 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 3d4d h GLU 57 CO -0.09 1.17 -0.12 0.00 -1.40 0.00 0.00 179.01 178.57 3d4d h ALA 58 N 0.53 0.78 -0.08 3.43 0.00 -1.00 -1.61 119.26 121.32 3d4d h ALA 58 Ca -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3d4d h ALA 58 Cb 1.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3d4d h ALA 58 CO 0.13 0.67 0.05 0.77 0.00 0.00 0.00 179.25 180.87 3d4d h SER 59 N 0.89 0.09 -0.72 0.00 0.02 -1.16 -2.30 113.55 110.37 3d4d h SER 59 Ca 0.14 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 3d4d h SER 59 Cb 0.68 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 3d4d h SER 59 CO 0.05 0.09 0.18 0.00 -1.14 0.00 0.00 176.83 176.01 3d4d h ALA 60 N 1.01 0.94 -0.02 3.77 0.00 -1.23 -1.56 119.26 122.17 3d4d h ALA 60 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3d4d h ALA 60 Cb 0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3d4d h ALA 60 CO -0.01 0.66 -0.00 0.35 0.00 0.00 0.00 179.25 180.25 3d4d h PHE 61 N 1.08 -0.00 -0.13 0.00 3.57 -1.16 -0.60 116.94 119.70 3d4d h PHE 61 Ca 0.23 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 3d4d h PHE 61 Cb 0.36 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3d4d h PHE 61 CO 0.03 -0.00 0.06 1.15 -2.23 0.00 0.00 178.31 177.32 3d4d h THR 62 N 0.01 1.13 -0.36 4.41 2.02 -1.35 -2.04 112.91 116.72 3d4d h THR 62 Ca 0.01 -0.37 0.07 0.00 0.77 0.00 0.00 66.41 66.89 3d4d h THR 62 Cb 0.01 1.13 -0.07 0.00 -1.74 0.00 0.00 68.15 67.49 3d4d h THR 62 CO -0.02 0.12 -0.08 0.50 0.37 0.00 0.00 175.52 176.40 3d4d h LYS 63 N 0.08 0.01 -0.40 6.66 3.64 -1.16 0.14 116.57 125.54 3d4d h LYS 63 Ca 0.05 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 3d4d h LYS 63 Cb 0.13 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 3d4d h LYS 63 CO -0.01 0.00 -0.03 -0.22 -2.27 0.00 0.00 179.45 176.93 3d4d h LYS 64 N 0.01 0.07 -0.04 1.90 3.64 -1.01 -0.55 116.57 120.59 3d4d h LYS 64 Ca 0.17 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3d4d h LYS 64 Cb 0.26 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3d4d h LYS 64 CO -0.37 0.04 0.02 1.98 -2.27 0.00 0.00 179.45 178.86 3d4d h MET 65 N 0.07 0.05 -0.14 1.90 4.05 -0.57 -2.00 114.93 118.29 3d4d h MET 65 Ca 0.20 -0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 59.45 3d4d h MET 65 Cb 0.29 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.09 3d4d h MET 65 CO -0.36 0.13 -0.56 -0.39 0.23 0.00 0.00 176.91 175.96 3d4d h VAL 66 N -0.04 1.33 -0.28 -5.77 -1.51 -0.93 -3.04 116.25 106.01 3d4d h VAL 66 Ca 0.01 -1.83 -0.09 0.00 -1.23 0.00 0.00 66.70 63.56 3d4d h VAL 66 Cb 0.10 2.07 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 3d4d h VAL 66 CO -0.00 0.56 -0.20 -0.33 -1.23 0.00 0.00 177.57 176.37 3d4d h GLU 67 N 0.27 0.51 -0.00 5.19 5.08 -1.11 -3.04 114.58 121.47 3d4d h GLU 67 Ca -0.03 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3d4d h GLU 67 Cb 1.20 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3d4d h GLU 67 CO 0.12 0.68 -0.41 0.09 -1.00 0.00 0.00 179.01 178.49 3d4d n ASN 68 N -4.15 0.63 -4.74 1.42 3.02 -0.76 -4.88 115.26 105.81 3d4d n ASN 68 Ca 0.00 -0.42 -0.41 0.00 -0.03 0.00 0.00 54.58 53.72 3d4d n ASN 68 Cb 0.37 0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.71 3d4d n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d4d s ALA 69 N -2.85 3.46 0.15 5.41 0.00 -1.15 -4.92 121.76 121.86 3d4d s ALA 69 Ca 0.15 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.11 3d4d s ALA 69 Cb 0.18 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3d4d s ALA 69 CO 0.64 -0.41 1.35 0.87 0.00 0.00 0.00 175.76 178.22 3d4d h LYS 70 N 5.14 0.25 -4.20 0.00 6.56 -1.89 -3.45 116.57 118.99 3d4d h LYS 70 Ca -0.45 -0.28 -0.53 0.00 -1.06 0.00 0.00 60.65 58.34 3d4d h LYS 70 Cb 1.21 0.08 -0.37 0.00 -0.57 0.00 0.00 32.23 32.58 3d4d h LYS 70 CO 0.74 1.00 -0.80 0.21 -2.06 0.00 0.00 179.45 178.54 3d4d s LYS 71 N -3.21 1.48 -0.18 3.15 2.20 -1.26 -5.03 119.74 116.88 3d4d s LYS 71 Ca -0.04 -0.26 -0.05 0.00 -0.36 0.00 0.00 55.97 55.26 3d4d s LYS 71 Cb 0.10 -1.60 -0.03 0.00 -1.51 0.00 0.00 37.83 34.78 3d4d s LYS 71 CO 0.84 -0.29 0.01 0.42 -0.36 0.00 0.00 175.35 175.97 3d4d s ILE 72 N 1.71 4.19 0.13 5.43 -1.09 -1.26 -0.94 121.20 129.38 3d4d s ILE 72 Ca 0.05 -0.24 0.08 0.00 -2.23 0.00 0.00 60.65 58.31 3d4d s ILE 72 Cb -0.13 -2.87 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 3d4d s ILE 72 CO -0.08 0.46 -0.20 -1.61 -1.23 0.00 0.00 174.94 172.28 3d4d s GLU 73 N 0.58 1.20 0.10 2.79 2.02 -0.52 -1.77 118.70 123.11 3d4d s GLU 73 Ca -0.00 -1.28 0.10 0.00 0.02 0.00 0.00 54.97 53.80 3d4d s GLU 73 Cb -0.14 -1.38 -0.04 0.00 0.10 0.00 0.00 34.13 32.68 3d4d s GLU 73 CO 0.02 0.30 -0.25 0.14 0.02 0.00 0.00 175.26 175.49 3d4d s VAL 74 N -1.57 2.11 -0.18 2.63 -7.23 0.24 -0.93 120.40 115.46 3d4d s VAL 74 Ca 0.11 -1.61 -0.04 0.00 -1.81 0.00 0.00 61.98 58.63 3d4d s VAL 74 Cb -0.08 -1.86 0.06 0.00 0.56 0.00 0.00 36.38 35.07 3d4d s VAL 74 CO 0.05 0.14 0.07 -0.70 -0.31 0.00 0.00 175.10 174.35 3d4d s GLU 75 N -1.79 0.28 0.47 4.82 2.12 -0.15 0.36 118.70 124.81 3d4d s GLU 75 Ca 0.12 -0.22 -0.19 0.00 0.36 0.00 0.00 54.97 55.03 3d4d s GLU 75 Cb -0.10 -1.91 -0.09 0.00 0.26 0.00 0.00 34.13 32.29 3d4d s GLU 75 CO 0.05 -0.67 0.97 -0.06 -0.54 0.00 0.00 175.26 175.00 3d4d s PHE 76 N 2.03 3.36 0.00 5.30 0.40 -1.26 -1.12 117.98 126.69 3d4d s PHE 76 Ca 0.01 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 57.89 3d4d s PHE 76 Cb -0.16 -2.83 0.00 0.00 0.51 0.00 0.00 43.02 40.53 3d4d s PHE 76 CO -0.10 -0.26 0.00 -3.47 0.70 0.00 0.00 175.22 172.09 3d4d n ASP 77 N -1.09 0.00 -0.29 1.36 -0.08 -1.26 -4.65 116.55 110.54 3d4d n ASP 77 Ca 0.07 -0.08 0.12 0.00 -1.51 0.00 0.00 54.79 53.39 3d4d n ASP 77 Cb 0.54 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.13 3d4d n ASP 77 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3d4d n LYS 78 N -0.08 0.80 0.00 -0.67 5.02 -1.07 -4.89 118.16 117.27 3d4d n LYS 78 Ca 0.00 -0.59 0.00 0.00 -2.02 0.00 0.00 58.31 55.70 3d4d n LYS 78 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 3d4d n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d4d n GLY 79 N 1.41 1.55 3.61 0.72 0.00 -0.96 -4.84 105.19 106.67 3d4d n GLY 79 Ca 0.09 -1.91 -0.50 0.00 0.00 0.00 0.00 46.02 43.70 3d4d n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3d4d n GLN 80 N 0.00 1.40 0.06 1.61 7.27 -1.26 -4.88 117.38 121.58 3d4d n GLN 80 Ca 0.00 0.50 0.10 0.00 0.07 0.00 0.00 57.00 57.67 3d4d n GLN 80 Cb 0.00 -2.13 -0.06 0.00 2.41 0.00 0.00 30.24 30.46 3d4d n GLN 80 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3d4d n ARG 81 N 2.44 0.62 -4.11 3.69 1.74 -1.26 -4.77 116.66 115.02 3d4d n ARG 81 Ca 0.17 0.04 -0.16 0.00 -0.77 0.00 0.00 57.85 57.13 3d4d n ARG 81 Cb 0.23 -1.73 -0.15 0.00 -1.02 0.00 0.00 32.46 29.79 3d4d n ARG 81 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3d4d s THR 82 N -3.35 0.35 0.68 0.55 2.01 -1.26 -0.39 115.64 114.23 3d4d s THR 82 Ca -0.03 -0.17 -0.07 0.00 0.31 0.00 0.00 61.69 61.73 3d4d s THR 82 Cb 0.11 -0.31 0.15 0.00 0.01 0.00 0.00 72.50 72.45 3d4d s THR 82 CO 0.83 0.11 0.93 -0.90 -0.69 0.00 0.00 174.62 174.90 3d4d n ASP 83 N 3.13 0.50 0.29 3.53 5.68 0.81 -4.90 116.55 125.58 3d4d n ASP 83 Ca -0.15 -1.60 0.15 0.00 -0.50 0.00 0.00 54.79 52.69 3d4d n ASP 83 Cb 0.57 -0.67 0.86 0.00 -1.14 0.00 0.00 41.12 40.74 3d4d n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3d4d h LYS 84 N 0.00 0.00 -0.41 0.11 2.10 -2.02 -2.03 116.57 114.32 3d4d h LYS 84 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 3d4d h LYS 84 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 3d4d h LYS 84 CO 0.26 0.05 0.00 0.66 -2.00 0.00 0.00 179.45 178.42 3d4d n TYR 85 N -3.65 0.54 -1.00 0.07 4.02 -1.26 -4.91 117.16 110.98 3d4d n TYR 85 Ca -0.02 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.59 3d4d n TYR 85 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 3d4d n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3d4d n GLY 86 N 1.22 0.55 3.73 2.72 0.00 -0.76 -5.02 105.19 107.63 3d4d n GLY 86 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3d4d n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d4d s ARG 87 N -0.09 4.62 0.16 1.61 0.52 -1.26 -4.76 118.95 119.75 3d4d s ARG 87 Ca 0.00 1.32 -0.30 0.00 -0.52 0.00 0.00 55.73 56.23 3d4d s ARG 87 Cb 0.00 -3.39 -0.08 0.00 0.52 0.00 0.00 34.95 32.00 3d4d s ARG 87 CO 0.00 0.19 1.32 0.20 0.02 0.00 0.00 175.30 177.03 3d4d s GLY 88 N 0.15 2.30 -0.54 -3.53 0.00 0.96 -0.13 107.32 106.53 3d4d s GLY 88 Ca 0.45 1.08 -0.13 0.00 0.00 0.00 0.00 44.72 46.13 3d4d s GLY 88 CO 0.27 2.15 0.46 1.08 0.00 0.00 0.00 173.10 177.06 3d4d s LEU 89 N 0.38 6.01 0.08 0.66 1.43 0.48 -0.34 118.68 127.37 3d4d s LEU 89 Ca 0.59 -1.96 -0.03 0.00 -1.03 0.00 0.00 54.13 51.70 3d4d s LEU 89 Cb -0.36 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 3d4d s LEU 89 CO 0.35 -0.75 0.05 0.00 0.23 0.00 0.00 176.35 176.23 3d4d s ALA 90 N 1.32 0.36 0.01 4.21 0.00 -1.17 -4.46 121.76 122.04 3d4d s ALA 90 Ca 0.06 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 50.65 3d4d s ALA 90 Cb -0.26 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 3d4d s ALA 90 CO 0.00 -0.43 0.88 -1.21 0.00 0.00 0.00 175.76 175.00 3d4d s GLU 91 N -3.93 4.55 -0.14 0.00 8.01 -0.27 -1.68 118.70 125.24 3d4d s GLU 91 Ca 0.09 1.25 -0.04 0.00 0.01 0.00 0.00 54.97 56.28 3d4d s GLU 91 Cb 0.07 -3.42 -0.03 0.00 -4.31 0.00 0.00 34.13 26.43 3d4d s GLU 91 CO -0.08 0.08 -0.01 0.42 0.01 0.00 0.00 175.26 175.68 3d4d s ILE 92 N 0.59 4.19 -0.06 -1.63 -1.09 -1.26 -0.98 121.20 120.96 3d4d s ILE 92 Ca 0.46 -0.26 0.04 0.00 -2.23 0.00 0.00 60.65 58.65 3d4d s ILE 92 Cb -0.21 -2.82 -0.02 0.00 -1.58 0.00 0.00 42.46 37.83 3d4d s ILE 92 CO 0.25 0.52 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.99 3d4d s TYR 93 N -0.01 2.60 -0.30 3.97 2.02 -0.11 -0.57 117.35 124.96 3d4d s TYR 93 Ca 0.02 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 3d4d s TYR 93 Cb -0.13 -1.64 0.09 0.00 -0.40 0.00 0.00 41.96 39.88 3d4d s TYR 93 CO 0.02 0.00 0.03 0.00 -1.57 0.00 0.00 175.55 174.03 3d4d s ALA 94 N -0.42 2.21 -1.40 3.71 0.00 0.91 -1.43 121.76 125.35 3d4d s ALA 94 Ca 0.04 -1.90 -0.07 0.00 0.00 0.00 0.00 51.96 50.03 3d4d s ALA 94 Cb -0.12 -1.69 0.04 0.00 0.00 0.00 0.00 23.12 21.34 3d4d s ALA 94 CO 0.02 -1.51 0.90 -0.25 0.00 0.00 0.00 175.76 174.92 3d4d n ASP 95 N 4.55 -3.36 0.00 0.00 8.00 -0.12 -2.45 116.55 123.18 3d4d n ASP 95 Ca -0.03 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.72 3d4d n ASP 95 Cb 0.43 -4.20 0.00 0.00 -0.02 0.00 0.00 41.12 37.32 3d4d n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d4d n GLY 96 N -1.64 1.63 3.65 0.44 0.00 -1.26 -5.03 105.19 102.97 3d4d n GLY 96 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 3d4d n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d4d s LYS 97 N -0.33 4.06 -0.11 1.61 1.02 -1.02 -5.01 119.74 119.95 3d4d s LYS 97 Ca 0.00 -0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 3d4d s LYS 97 Cb 0.00 -3.56 -0.03 0.00 -0.52 0.00 0.00 37.83 33.72 3d4d s LYS 97 CO 0.00 0.02 1.38 1.41 -0.92 0.00 0.00 175.35 177.25 3d4d s MET 98 N 1.16 4.23 0.35 1.68 1.75 -1.26 -0.06 119.30 127.15 3d4d s MET 98 Ca 0.08 1.85 0.08 0.00 -1.25 0.00 0.00 55.69 56.44 3d4d s MET 98 Cb -0.14 -3.79 0.65 0.00 2.84 0.00 0.00 34.83 34.40 3d4d s MET 98 CO 0.05 -0.71 1.84 0.28 -0.65 0.00 0.00 175.02 175.84 3d4d h VAL 99 N 5.41 1.22 -0.06 10.11 2.07 -1.21 -2.37 116.25 131.42 3d4d h VAL 99 Ca -0.32 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 3d4d h VAL 99 Cb 1.14 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 3d4d h VAL 99 CO 0.95 0.31 0.02 0.78 0.02 0.00 0.00 177.57 179.66 3d4d h ASN 100 N 0.26 0.08 -0.19 0.57 4.21 -1.91 -2.52 115.58 116.08 3d4d h ASN 100 Ca 0.05 -0.15 -0.13 0.00 1.21 0.00 0.00 56.30 57.27 3d4d h ASN 100 Cb 0.50 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 3d4d h ASN 100 CO 0.03 0.21 -0.34 -0.08 -1.29 0.00 0.00 177.43 175.96 3d4d h GLU 101 N -0.06 0.71 -0.23 0.81 4.81 -1.93 -3.15 114.58 115.54 3d4d h GLU 101 Ca 0.02 -0.34 0.03 0.00 -0.13 0.00 0.00 59.36 58.94 3d4d h GLU 101 Cb 0.15 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3d4d h GLU 101 CO -0.00 0.95 0.03 0.00 -0.73 0.00 0.00 179.01 179.26 3d4d h ALA 102 N 1.02 0.22 -0.26 2.92 0.00 -1.32 -1.07 119.26 120.78 3d4d h ALA 102 Ca 0.06 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3d4d h ALA 102 Cb 0.87 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3d4d h ALA 102 CO 0.08 -0.40 0.16 -0.07 0.00 0.00 0.00 179.25 179.01 3d4d h LEU 103 N 0.11 0.31 -0.57 0.00 3.38 -1.50 -2.70 115.31 114.34 3d4d h LEU 103 Ca 0.10 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3d4d h LEU 103 Cb 0.11 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3d4d h LEU 103 CO -0.15 0.27 0.35 0.58 0.09 0.00 0.00 178.44 179.58 3d4d h VAL 104 N 0.32 1.17 0.00 1.22 2.07 -1.48 0.19 116.25 119.74 3d4d h VAL 104 Ca 0.09 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 3d4d h VAL 104 Cb 0.02 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3d4d h VAL 104 CO -0.02 0.17 -0.20 -0.09 0.02 0.00 0.00 177.57 177.45 3d4d h ARG 105 N 0.78 0.00 -0.26 1.57 9.65 -1.08 -0.77 114.38 124.25 3d4d h ARG 105 Ca 0.21 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 3d4d h ARG 105 Cb -0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 3d4d h ARG 105 CO -0.04 0.20 0.00 1.04 2.80 0.00 0.00 179.97 183.97 3d4d n GLN 106 N -3.82 2.27 -2.42 0.20 1.13 -1.03 -4.11 117.38 109.61 3d4d n GLN 106 Ca -0.02 -1.90 -0.12 0.00 -1.94 0.00 0.00 57.00 53.02 3d4d n GLN 106 Cb 0.30 -1.48 0.01 0.00 0.11 0.00 0.00 30.24 29.18 3d4d n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3d4d n GLY 107 N 1.38 -0.08 0.09 1.08 0.00 -0.30 -4.38 105.19 102.97 3d4d n GLY 107 Ca 0.18 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.96 3d4d n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d4d n LEU 108 N -2.03 1.02 -4.05 0.99 4.77 0.58 -1.96 117.00 116.32 3d4d n LEU 108 Ca -0.11 -0.55 -0.17 0.00 -0.03 0.00 0.00 56.01 55.15 3d4d n LEU 108 Cb 0.59 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.55 3d4d n LEU 108 CO 0.21 0.23 -0.42 0.00 -1.33 0.00 0.00 177.39 176.08 3d4d s ALA 109 N -2.55 0.74 -0.00 -1.18 0.00 -1.13 -4.22 121.76 113.42 3d4d s ALA 109 Ca 0.08 -0.58 -0.10 0.00 0.00 0.00 0.00 51.96 51.37 3d4d s ALA 109 Cb 0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 3d4d s ALA 109 CO 0.67 0.12 0.31 0.15 0.00 0.00 0.00 175.76 177.01 3d4d s LYS 110 N -0.84 3.69 0.24 0.00 1.02 -0.52 -4.27 119.74 119.05 3d4d s LYS 110 Ca -0.01 0.11 -0.30 0.00 0.02 0.00 0.00 55.97 55.79 3d4d s LYS 110 Cb -0.06 -3.13 -0.10 0.00 -0.52 0.00 0.00 37.83 34.02 3d4d s LYS 110 CO 0.00 0.67 1.43 0.08 -0.92 0.00 0.00 175.35 176.61 3d4d s VAL 111 N -1.20 2.73 -0.09 3.17 1.01 -1.26 -0.60 120.40 124.16 3d4d s VAL 111 Ca 0.25 0.61 -0.32 0.00 0.00 0.00 0.00 61.98 62.52 3d4d s VAL 111 Cb -0.14 -3.39 0.12 0.00 0.00 0.00 0.00 36.38 32.97 3d4d s VAL 111 CO 0.13 0.09 1.17 0.00 0.00 0.00 0.00 175.10 176.50 3d4d s ALA 112 N 0.05 -2.05 -1.18 5.51 0.00 -0.80 -4.87 121.76 118.41 3d4d s ALA 112 Ca 0.59 1.17 -0.01 0.00 0.00 0.00 0.00 51.96 53.71 3d4d s ALA 112 Cb -0.41 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 3d4d s ALA 112 CO 0.42 -0.77 0.98 0.66 0.00 0.00 0.00 175.76 177.06 3d4d n TYR 113 N -0.25 -2.22 -2.92 0.00 4.02 -1.26 -3.18 117.16 111.34 3d4d n TYR 113 Ca -0.04 0.93 -0.43 0.00 -0.01 0.00 0.00 57.90 58.35 3d4d n TYR 113 Cb 0.60 -4.95 -0.04 0.00 -0.02 0.00 0.00 39.34 34.93 3d4d n TYR 113 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3d4d s VAL 114 N -3.37 4.48 0.06 -0.72 1.01 -1.26 -4.33 120.40 116.27 3d4d s VAL 114 Ca 0.06 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3d4d s VAL 114 Cb -0.01 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 3d4d s VAL 114 CO 0.73 -1.21 0.08 -0.31 0.00 0.00 0.00 175.10 174.39 3d4d s TYR 115 N 3.68 3.21 0.45 5.22 2.02 -1.26 -5.07 117.35 125.59 3d4d s TYR 115 Ca 0.23 0.11 -0.24 0.00 -0.37 0.00 0.00 57.07 56.80 3d4d s TYR 115 Cb -0.16 -1.65 -0.10 0.00 -0.40 0.00 0.00 41.96 39.65 3d4d s TYR 115 CO 0.13 0.53 1.06 0.36 -1.57 0.00 0.00 175.55 176.05 3d4d n LYS 116 N 0.65 1.41 0.00 -0.62 2.85 -1.26 -2.48 118.16 118.70 3d4d n LYS 116 Ca -0.10 0.51 0.00 0.00 -1.05 0.00 0.00 58.31 57.67 3d4d n LYS 116 Cb 0.52 -2.13 0.00 0.00 -0.65 0.00 0.00 35.03 32.77 3d4d n LYS 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3d4d n GLY 117 N 1.12 2.32 2.21 2.58 0.00 -1.26 -4.68 105.19 107.49 3d4d n GLY 117 Ca 0.09 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 3d4d n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d4d n ASN 118 N 2.60 5.20 -0.77 1.61 3.02 -1.04 -2.26 115.26 123.63 3d4d n ASN 118 Ca 0.00 -3.60 0.03 0.00 -0.03 0.00 0.00 54.58 50.98 3d4d n ASN 118 Cb 0.00 -0.89 0.20 0.00 -0.61 0.00 0.00 39.78 38.49 3d4d n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3d4d n ASN 119 N -0.96 2.54 0.01 6.41 6.94 -1.21 -4.69 115.26 124.29 3d4d n ASN 119 Ca 0.58 -3.53 -0.10 0.00 -0.02 0.00 0.00 54.58 51.51 3d4d n ASN 119 Cb 1.25 -0.55 -0.04 0.00 -2.36 0.00 0.00 39.78 38.07 3d4d n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3d4d h THR 120 N 0.95 0.76 -0.54 5.53 2.02 -1.93 -2.72 112.91 116.98 3d4d h THR 120 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 3d4d h THR 120 Cb 1.34 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 3d4d h THR 120 CO 0.19 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.49 3d4d n HIS 121 N -5.22 1.60 -0.04 3.16 8.25 -1.26 -4.51 115.22 117.19 3d4d n HIS 121 Ca -0.04 -0.59 -0.08 0.00 -0.26 0.00 0.00 57.72 56.75 3d4d n HIS 121 Cb 0.14 -0.35 -0.02 0.00 1.12 0.00 0.00 29.99 30.88 3d4d n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3d4d h GLU 122 N 3.58 -0.07 -0.37 -0.41 4.81 -1.82 -0.71 114.58 119.59 3d4d h GLU 122 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 3d4d h GLU 122 Cb 1.58 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.96 3d4d h GLU 122 CO 0.33 -0.05 -0.17 1.96 -0.73 0.00 0.00 179.01 180.35 3d4d h GLN 123 N -0.07 0.69 -0.54 1.92 1.08 -1.81 -0.64 115.11 115.74 3d4d h GLN 123 Ca 0.12 -0.25 0.01 0.00 -1.45 0.00 0.00 58.65 57.08 3d4d h GLN 123 Cb 0.25 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 3d4d h GLN 123 CO -0.27 0.82 0.35 1.25 -0.95 0.00 0.00 178.83 180.03 3d4d h LEU 124 N 0.61 0.59 -0.62 1.46 5.85 -1.78 -1.16 115.31 120.26 3d4d h LEU 124 Ca 0.10 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 3d4d h LEU 124 Cb 0.64 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3d4d h LEU 124 CO 0.05 0.42 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.37 3d4d h LEU 125 N 0.70 0.95 -0.50 2.25 3.38 -0.92 -2.81 115.31 118.37 3d4d h LEU 125 Ca 0.21 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3d4d h LEU 125 Cb -0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3d4d h LEU 125 CO -0.06 1.08 0.20 0.03 0.09 0.00 0.00 178.44 179.78 3d4d h ARG 126 N 0.84 0.75 -0.20 1.13 3.08 -0.90 -1.68 114.38 117.40 3d4d h ARG 126 Ca 0.13 -0.14 0.06 0.00 0.07 0.00 0.00 59.98 60.10 3d4d h ARG 126 Cb 0.68 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.54 3d4d h ARG 126 CO 0.05 0.67 -0.28 -0.22 -1.07 0.00 0.00 179.97 179.11 3d4d h LYS 127 N 0.67 -0.30 -0.44 0.04 1.63 -1.15 -1.23 116.57 115.78 3d4d h LYS 127 Ca 0.17 0.02 0.08 0.00 -0.85 0.00 0.00 60.65 60.06 3d4d h LYS 127 Cb 0.20 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 3d4d h LYS 127 CO -0.01 -0.20 0.30 0.00 -3.45 0.00 0.00 179.45 176.09 3d4d h ALA 128 N 0.62 2.07 -0.04 5.00 0.00 -1.30 -2.26 119.26 123.36 3d4d h ALA 128 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3d4d h ALA 128 Cb 0.50 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3d4d h ALA 128 CO -0.38 -0.17 -0.03 1.49 0.00 0.00 0.00 179.25 180.15 3d4d h GLU 129 N 0.26 0.09 -0.52 0.00 4.81 -0.30 -1.80 114.58 117.11 3d4d h GLU 129 Ca 0.20 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.48 3d4d h GLU 129 Cb 0.45 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.76 3d4d h GLU 129 CO -0.04 0.55 0.06 0.00 -0.73 0.00 0.00 179.01 178.85 3d4d h ALA 130 N 0.54 0.56 -0.68 2.92 0.00 -0.95 0.41 119.26 122.06 3d4d h ALA 130 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3d4d h ALA 130 Cb 0.53 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3d4d h ALA 130 CO 0.01 -0.34 0.43 1.96 0.00 0.00 0.00 179.25 181.30 3d4d h GLN 131 N 0.19 0.92 -0.61 0.00 4.20 -1.35 0.16 115.11 118.61 3d4d h GLN 131 Ca 0.27 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 3d4d h GLN 131 Cb 0.39 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 3d4d h GLN 131 CO -0.39 0.64 0.21 0.00 -0.67 0.00 0.00 178.83 178.62 3d4d h ALA 132 N 1.23 1.23 -0.14 3.87 0.00 -0.95 -2.19 119.26 122.31 3d4d h ALA 132 Ca 0.25 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3d4d h ALA 132 Cb -0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3d4d h ALA 132 CO -0.05 0.55 -0.05 -0.22 0.00 0.00 0.00 179.25 179.48 3d4d h LYS 133 N 0.88 0.28 -0.89 0.00 3.64 0.13 -0.39 116.57 120.23 3d4d h LYS 133 Ca 0.20 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3d4d h LYS 133 Cb 0.22 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 3d4d h LYS 133 CO -0.01 0.59 0.58 0.87 -2.27 0.00 0.00 179.45 179.20 3d4d h LYS 134 N -0.04 1.10 0.00 1.90 6.56 -0.72 -0.31 116.57 125.06 3d4d h LYS 134 Ca 0.03 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 3d4d h LYS 134 Cb 0.49 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 3d4d h LYS 134 CO 0.02 0.73 0.00 0.39 -2.06 0.00 0.00 179.45 178.52 3d4d n GLU 135 N -4.51 0.97 -3.95 3.15 1.02 -0.83 -4.92 120.64 111.57 3d4d n GLU 135 Ca 0.11 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.99 3d4d n GLU 135 Cb 0.07 -1.42 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 3d4d n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d4d n LYS 136 N -0.92 -3.47 -3.01 3.49 4.76 -0.13 -4.92 118.16 113.96 3d4d n LYS 136 Ca 0.19 0.42 -0.40 0.00 -2.87 0.00 0.00 58.31 55.66 3d4d n LYS 136 Cb 0.09 -4.63 -0.05 0.00 -1.84 0.00 0.00 35.03 28.60 3d4d n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3d4d s LEU 137 N -6.96 4.30 0.00 -0.35 1.43 -0.30 -3.32 118.68 113.48 3d4d s LEU 137 Ca 0.05 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 3d4d s LEU 137 Cb -0.03 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 43.07 3d4d s LEU 137 CO 0.88 -0.16 0.00 0.59 0.23 0.00 0.00 176.35 177.90 3d4d n ASN 138 N 3.96 0.00 -0.26 2.29 5.03 -1.26 -0.60 115.26 124.42 3d4d n ASN 138 Ca -0.00 0.00 0.26 0.00 0.87 0.00 0.00 54.58 55.70 3d4d n ASN 138 Cb 0.51 0.00 0.47 0.00 -1.02 0.00 0.00 39.78 39.74 3d4d n ASN 138 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3d4d n ILE 139 N 0.00 -0.34 1.33 2.41 5.41 -0.83 -0.42 119.36 126.92 3d4d n ILE 139 Ca 0.00 1.65 0.14 0.00 1.00 0.00 0.00 62.75 65.53 3d4d n ILE 139 Cb 0.00 -2.67 0.50 0.00 -0.71 0.00 0.00 39.64 36.76 3d4d n ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 3d4d n TRP 140 N -4.84 0.00 1.96 1.39 7.02 0.23 -5.14 117.44 118.07 3d4d n TRP 140 Ca 0.31 0.00 0.16 0.00 -1.02 0.00 0.00 57.50 56.94 3d4d n TRP 140 Cb 1.04 -0.15 0.92 0.00 -2.42 0.00 0.00 31.31 30.69 3d4d n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54