#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d80 h ARG 2 N 0.00 0.33 -6.91 5.55 3.08 -1.99 -3.44 114.38 111.00 3d80 h ARG 2 Ca 0.00 -0.49 -0.51 0.00 0.07 0.00 0.00 59.98 59.05 3d80 h ARG 2 Cb 0.00 0.17 0.05 0.00 0.08 0.00 0.00 29.97 30.27 3d80 h ARG 2 CO 0.00 1.21 0.53 -2.14 -1.07 0.00 0.00 179.97 178.49 3d80 s PRO 3 N -2.82 4.21 -0.14 0.04 0.02 -1.26 -4.81 135.00 130.24 3d80 s PRO 3 Ca -0.05 1.91 -0.04 0.00 0.02 0.00 0.00 61.00 62.84 3d80 s PRO 3 Cb 0.07 -2.84 -0.03 0.00 0.02 0.00 0.00 34.50 31.72 3d80 s PRO 3 CO 0.88 -0.21 0.01 -1.17 -0.33 0.00 0.00 177.00 176.18 3d80 s LEU 4 N -2.19 3.54 -0.11 -5.54 2.96 -0.67 -4.51 118.68 112.17 3d80 s LEU 4 Ca 0.53 0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 54.48 3d80 s LEU 4 Cb -0.33 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 3d80 s LEU 4 CO 0.42 0.25 -0.10 0.20 -1.32 0.00 0.00 176.35 175.81 3d80 s ASN 5 N -0.13 4.34 -0.05 3.68 0.01 -0.62 -0.97 114.94 121.18 3d80 s ASN 5 Ca 0.05 -0.20 -0.00 0.00 -0.71 0.00 0.00 52.86 51.99 3d80 s ASN 5 Cb -0.13 -1.46 -0.03 0.00 0.41 0.00 0.00 41.25 40.04 3d80 s ASN 5 CO 0.02 0.23 -0.00 0.00 -1.51 0.00 0.00 177.10 175.84 3d80 s ILE 7 N -0.95 0.92 0.07 0.00 2.07 -0.56 -0.04 121.20 122.71 3d80 s ILE 7 Ca 0.15 -0.41 -0.18 0.00 -1.41 0.00 0.00 60.65 58.81 3d80 s ILE 7 Cb -0.11 -0.83 0.04 0.00 0.13 0.00 0.00 42.46 41.69 3d80 s ILE 7 CO 0.05 0.29 0.42 0.54 -1.91 0.00 0.00 174.94 174.33 3d80 s VAL 8 N 0.36 0.06 -0.09 4.00 0.11 -0.29 -4.55 120.40 119.99 3d80 s VAL 8 Ca -0.07 -0.47 0.04 0.00 -2.93 0.00 0.00 61.98 58.55 3d80 s VAL 8 Cb -0.11 -1.03 -0.01 0.00 -1.53 0.00 0.00 36.38 33.70 3d80 s VAL 8 CO 0.01 -0.26 -0.22 0.00 -3.33 0.00 0.00 175.10 171.30 3d80 s ALA 9 N -2.96 2.27 -0.02 1.54 0.00 -1.26 -0.98 121.76 120.35 3d80 s ALA 9 Ca -0.02 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.00 3d80 s ALA 9 Cb 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 3d80 s ALA 9 CO -0.06 0.32 -0.11 0.08 0.00 0.00 0.00 175.76 175.99 3d80 s VAL 10 N 0.20 0.88 0.85 0.00 1.01 -0.12 -4.63 120.40 118.59 3d80 s VAL 10 Ca -0.13 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 3d80 s VAL 10 Cb -0.16 -0.77 0.11 0.00 0.00 0.00 0.00 36.38 35.56 3d80 s VAL 10 CO 0.07 0.26 1.19 -0.94 0.00 0.00 0.00 175.10 175.68 3d80 s SER 11 N 0.02 4.13 0.41 3.32 1.04 -0.26 -0.34 113.70 122.02 3d80 s SER 11 Ca -0.01 0.75 0.13 0.00 0.48 0.00 0.00 55.95 57.30 3d80 s SER 11 Cb -0.07 -1.20 0.97 0.00 0.10 0.00 0.00 66.02 65.81 3d80 s SER 11 CO 0.00 -2.14 1.95 -0.61 0.98 0.00 0.00 173.24 173.43 3d80 h GLN 12 N -1.22 0.47 -0.86 4.02 4.15 -0.68 -0.03 115.11 120.96 3d80 h GLN 12 Ca -0.47 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 58.87 3d80 h GLN 12 Cb 1.32 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.87 3d80 h GLN 12 CO 0.62 0.31 0.07 0.27 -1.93 0.00 0.00 178.83 178.17 3d80 n ASN 13 N -4.48 3.12 -0.71 -0.69 6.94 -1.26 -4.88 115.26 113.30 3d80 n ASN 13 Ca 0.12 -2.47 -0.09 0.00 -0.02 0.00 0.00 54.58 52.11 3d80 n ASN 13 Cb 0.39 -0.60 -0.04 0.00 -2.36 0.00 0.00 39.78 37.18 3d80 n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3d80 n MET 14 N 0.16 -1.12 -2.63 -3.83 2.81 -0.02 -4.99 117.12 107.50 3d80 n MET 14 Ca 0.15 0.77 -0.40 0.00 -1.81 0.00 0.00 57.70 56.41 3d80 n MET 14 Cb 0.74 -4.85 -0.05 0.00 -0.71 0.00 0.00 33.22 28.36 3d80 n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3d80 s GLY 15 N -2.55 3.06 0.00 3.03 0.00 -1.25 -1.50 107.32 108.10 3d80 s GLY 15 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.45 3d80 s GLY 15 CO 0.00 1.37 0.00 0.29 0.00 0.00 0.00 173.10 174.76 3d80 n ILE 16 N 1.60 0.00 -3.63 0.90 -5.35 0.08 -1.11 119.36 111.86 3d80 n ILE 16 Ca -0.01 -0.17 -0.11 0.00 -0.27 0.00 0.00 62.75 62.19 3d80 n ILE 16 Cb 0.46 0.66 -0.05 0.00 -1.74 0.00 0.00 39.64 38.97 3d80 n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3d80 s GLY 17 N -1.35 -0.29 -0.20 3.28 0.00 -0.89 -4.39 107.32 103.48 3d80 s GLY 17 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 44.72 44.71 3d80 s GLY 17 CO 0.00 -0.20 0.42 1.25 0.00 0.00 0.00 173.10 174.57 3d80 s LYS 18 N -3.51 0.33 -1.62 2.90 2.47 0.26 0.20 119.74 120.78 3d80 s LYS 18 Ca 0.01 1.01 -0.16 0.00 -1.56 0.00 0.00 55.97 55.27 3d80 s LYS 18 Cb 0.01 0.29 0.12 0.00 -1.46 0.00 0.00 37.83 36.80 3d80 s LYS 18 CO -0.10 -0.24 0.88 0.09 0.16 0.00 0.00 175.35 176.14 3d80 n ASN 19 N 5.25 -3.96 -0.21 1.43 3.02 -1.26 -1.14 115.26 118.39 3d80 n ASN 19 Ca -0.10 -0.90 -0.03 0.00 -0.03 0.00 0.00 54.58 53.52 3d80 n ASN 19 Cb 0.50 -3.29 -0.01 0.00 -0.61 0.00 0.00 39.78 36.37 3d80 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d80 n GLY 20 N -1.54 0.59 2.53 7.41 0.00 -1.26 -5.00 105.19 107.91 3d80 n GLY 20 Ca 0.05 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 3d80 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d80 n ASP 21 N 0.45 0.14 -4.84 1.61 -0.08 -0.29 -4.84 116.55 108.69 3d80 n ASP 21 Ca -0.03 -2.69 -0.32 0.00 -1.51 0.00 0.00 54.79 50.24 3d80 n ASP 21 Cb 0.15 1.10 -0.04 0.00 2.34 0.00 0.00 41.12 44.67 3d80 n ASP 21 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3d80 s LEU 22 N 0.00 3.66 0.44 -2.67 1.43 -1.26 -0.57 118.68 119.71 3d80 s LEU 22 Ca 0.25 1.53 0.24 0.00 -1.03 0.00 0.00 54.13 55.11 3d80 s LEU 22 Cb 0.01 -4.45 0.96 0.00 0.03 0.00 0.00 46.19 42.74 3d80 s LEU 22 CO 0.18 -0.55 1.85 -0.65 0.23 0.00 0.00 176.35 177.40 3d80 h PRO 23 N 1.01 0.00 -6.20 1.29 0.11 -1.84 -3.41 132.00 122.97 3d80 h PRO 23 Ca -0.47 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.13 3d80 h PRO 23 Cb 1.18 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 3d80 h PRO 23 CO 0.62 0.23 -0.54 1.67 -0.21 0.00 0.00 178.00 179.77 3d80 s TRP 24 N -3.72 3.05 0.90 0.65 -2.14 -1.26 -4.74 118.94 111.69 3d80 s TRP 24 Ca -0.00 -0.13 -0.11 0.00 2.66 0.00 0.00 56.10 58.52 3d80 s TRP 24 Cb 0.11 -1.40 0.13 0.00 -3.10 0.00 0.00 33.47 29.21 3d80 s TRP 24 CO 0.64 0.51 1.10 -1.25 -2.66 0.00 0.00 176.95 175.29 3d80 s PRO 25 N -3.83 1.17 0.10 3.25 0.04 -1.26 -4.86 135.00 129.61 3d80 s PRO 25 Ca 0.33 1.13 -0.32 0.00 0.04 0.00 0.00 61.00 62.18 3d80 s PRO 25 Cb -0.08 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.57 3d80 s PRO 25 CO 0.24 -2.39 1.80 -2.30 0.04 0.00 0.00 177.00 174.40 3d80 n PRO 26 N -4.02 2.59 -3.53 0.56 -0.02 -1.26 -4.94 135.00 124.38 3d80 n PRO 26 Ca 0.08 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 62.09 3d80 n PRO 26 Cb 0.54 -2.81 -0.06 0.00 -0.02 0.00 0.00 33.50 31.14 3d80 n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3d80 s LEU 27 N 2.63 5.93 0.40 2.45 1.43 -1.26 -4.94 118.68 125.31 3d80 s LEU 27 Ca 0.83 -2.56 0.16 0.00 -1.03 0.00 0.00 54.13 51.53 3d80 s LEU 27 Cb -0.55 -2.03 0.84 0.00 0.03 0.00 0.00 46.19 44.48 3d80 s LEU 27 CO 0.40 -0.53 1.86 0.03 0.23 0.00 0.00 176.35 178.33 3d80 h ARG 28 N 7.67 0.00 -0.12 1.70 3.08 -1.99 -1.16 114.38 123.56 3d80 h ARG 28 Ca -0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 3d80 h ARG 28 Cb 1.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 3d80 h ARG 28 CO 0.77 0.33 -0.62 -0.91 -1.07 0.00 0.00 179.97 178.47 3d80 h ASN 29 N 0.00 0.48 -0.51 7.04 2.35 -1.99 -1.34 115.58 121.60 3d80 h ASN 29 Ca -0.00 -0.28 -0.09 0.00 -0.55 0.00 0.00 56.30 55.38 3d80 h ASN 29 Cb 0.63 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 3d80 h ASN 29 CO 0.04 0.98 -0.04 -0.08 -1.65 0.00 0.00 177.43 176.68 3d80 h GLU 30 N 0.31 0.93 -0.40 0.81 4.22 -1.78 -2.64 114.58 116.02 3d80 h GLU 30 Ca -0.01 -0.32 -0.05 0.00 0.08 0.00 0.00 59.36 59.06 3d80 h GLU 30 Cb 1.16 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3d80 h GLU 30 CO 0.11 0.97 0.04 0.35 -2.18 0.00 0.00 179.01 178.30 3d80 h PHE 31 N 0.79 0.65 -0.83 0.92 3.57 -1.05 -1.84 116.94 119.13 3d80 h PHE 31 Ca 0.14 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.60 3d80 h PHE 31 Cb 0.58 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 3d80 h PHE 31 CO 0.04 0.59 0.55 0.87 -2.23 0.00 0.00 178.31 178.14 3d80 h LYS 32 N 0.60 1.03 0.03 1.11 1.57 -0.90 0.94 116.57 120.94 3d80 h LYS 32 Ca 0.13 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3d80 h LYS 32 Cb 0.32 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3d80 h LYS 32 CO 0.01 0.68 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.63 3d80 h TYR 33 N 1.06 -0.04 -0.63 -1.35 5.03 -1.15 -0.54 116.97 119.36 3d80 h TYR 33 Ca 0.32 -0.00 0.13 0.00 2.58 0.00 0.00 58.73 61.76 3d80 h TYR 33 Cb -0.01 0.01 -0.11 0.00 1.55 0.00 0.00 36.73 38.18 3d80 h TYR 33 CO -0.00 0.31 0.01 0.35 -1.32 0.00 0.00 178.16 177.51 3d80 h PHE 34 N -0.39 -0.03 -0.53 -3.82 3.57 -0.72 -0.59 116.94 114.42 3d80 h PHE 34 Ca -0.00 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3d80 h PHE 34 Cb 0.37 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 3d80 h PHE 34 CO 0.05 -0.17 0.20 1.96 -2.23 0.00 0.00 178.31 178.12 3d80 h GLN 35 N 0.12 0.81 -0.16 1.11 1.08 -0.69 -1.60 115.11 115.78 3d80 h GLN 35 Ca 0.33 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.35 3d80 h GLN 35 Cb 0.53 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 3d80 h GLN 35 CO -0.53 0.72 0.02 -0.09 -0.95 0.00 0.00 178.83 178.00 3d80 h ARG 36 N 0.73 0.27 -0.30 1.46 2.43 -0.64 -1.53 114.38 116.80 3d80 h ARG 36 Ca 0.18 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 3d80 h ARG 36 Cb 0.22 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3d80 h ARG 36 CO -0.01 0.46 -0.18 0.52 -1.51 0.00 0.00 179.97 179.25 3d80 h MET 37 N 0.05 0.66 0.00 0.20 2.86 -1.09 -1.85 114.93 115.76 3d80 h MET 37 Ca 0.05 -0.30 -0.11 0.00 -2.06 0.00 0.00 59.70 57.27 3d80 h MET 37 Cb 0.32 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 3d80 h MET 37 CO 0.00 0.90 -0.54 1.79 1.06 0.00 0.00 176.91 180.12 3d80 h THR 38 N 0.41 1.10 0.02 2.22 1.35 -1.29 -3.33 112.91 113.39 3d80 h THR 38 Ca 0.06 -2.05 -0.30 0.00 -0.55 0.00 0.00 66.41 63.57 3d80 h THR 38 Cb 0.72 2.21 -0.05 0.00 -1.73 0.00 0.00 68.15 69.30 3d80 h THR 38 CO 0.05 0.53 -1.71 0.74 -0.25 0.00 0.00 175.52 174.88 3d80 h THR 39 N 0.00 0.86 -2.61 6.82 2.02 -1.23 -3.43 112.91 115.34 3d80 h THR 39 Ca -0.01 -2.69 -0.54 0.00 0.77 0.00 0.00 66.41 63.94 3d80 h THR 39 Cb 1.16 2.45 -0.07 0.00 -1.74 0.00 0.00 68.15 69.95 3d80 h THR 39 CO 0.07 0.55 1.07 -0.89 0.37 0.00 0.00 175.52 176.69 3d80 s THR 40 N -2.60 3.78 0.71 3.16 2.01 -0.70 -4.51 115.64 117.49 3d80 s THR 40 Ca -0.06 0.56 -0.11 0.00 0.31 0.00 0.00 61.69 62.39 3d80 s THR 40 Cb 0.08 -4.72 0.02 0.00 0.01 0.00 0.00 72.50 67.88 3d80 s THR 40 CO 0.82 -1.55 1.07 -0.55 -0.69 0.00 0.00 174.62 173.72 3d80 s SER 41 N 3.98 5.26 0.00 3.53 0.15 -1.26 -4.95 113.70 120.41 3d80 s SER 41 Ca 0.42 1.57 0.26 0.00 0.70 0.00 0.00 55.95 58.90 3d80 s SER 41 Cb -0.09 -2.43 0.62 0.00 -1.71 0.00 0.00 66.02 62.42 3d80 s SER 41 CO 0.20 -1.52 1.50 -1.54 1.20 0.00 0.00 173.24 173.08 3d80 n SER 42 N -3.17 0.45 -3.79 5.45 3.41 -1.26 -4.86 113.62 109.84 3d80 n SER 42 Ca 0.07 -0.17 -0.13 0.00 -0.26 0.00 0.00 58.87 58.38 3d80 n SER 42 Cb 0.54 0.14 -0.13 0.00 -0.26 0.00 0.00 64.21 64.50 3d80 n SER 42 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3d80 s VAL 43 N -2.98 -0.01 0.37 -3.33 0.11 -1.26 -5.13 120.40 108.16 3d80 s VAL 43 Ca 0.12 0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 58.94 3d80 s VAL 43 Cb 0.18 -0.25 -0.11 0.00 -1.53 0.00 0.00 36.38 34.67 3d80 s VAL 43 CO 0.67 0.02 1.49 -0.70 -3.33 0.00 0.00 175.10 173.24 3d80 s GLU 44 N 0.41 4.12 0.00 1.54 2.56 -1.26 -2.53 118.70 123.54 3d80 s GLU 44 Ca -0.03 2.56 0.00 0.00 0.00 0.00 0.00 54.97 57.50 3d80 s GLU 44 Cb -0.04 -2.98 0.00 0.00 2.00 0.00 0.00 34.13 33.11 3d80 s GLU 44 CO -0.02 -0.53 0.00 0.41 -0.56 0.00 0.00 175.26 174.57 3d80 n GLY 45 N 0.62 1.55 3.48 -1.50 0.00 -1.26 -5.03 105.19 103.05 3d80 n GLY 45 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3d80 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d80 s LYS 46 N -0.64 2.34 0.08 1.61 1.02 -1.05 -4.88 119.74 118.22 3d80 s LYS 46 Ca 0.00 -0.81 0.02 0.00 0.02 0.00 0.00 55.97 55.20 3d80 s LYS 46 Cb 0.00 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 3d80 s LYS 46 CO 0.00 0.59 0.14 -0.65 -0.92 0.00 0.00 175.35 174.51 3d80 s GLN 47 N -1.06 3.10 0.78 1.68 -0.21 -1.26 -4.74 119.66 117.95 3d80 s GLN 47 Ca 0.13 -0.61 -0.11 0.00 0.02 0.00 0.00 55.36 54.79 3d80 s GLN 47 Cb -0.11 -2.84 0.06 0.00 1.00 0.00 0.00 33.01 31.13 3d80 s GLN 47 CO 0.03 0.57 1.09 -0.80 -2.12 0.00 0.00 175.29 174.06 3d80 s ASN 48 N -2.51 4.58 -0.03 5.90 0.01 -1.26 -0.43 114.94 121.20 3d80 s ASN 48 Ca 0.32 1.45 0.04 0.00 -0.71 0.00 0.00 52.86 53.96 3d80 s ASN 48 Cb -0.12 -2.21 -0.01 0.00 0.41 0.00 0.00 41.25 39.32 3d80 s ASN 48 CO 0.24 -1.93 -0.15 -0.22 -1.51 0.00 0.00 177.10 173.53 3d80 s LEU 49 N -5.79 1.95 -0.08 0.60 0.20 0.04 -1.47 118.68 114.13 3d80 s LEU 49 Ca 0.60 -0.30 0.03 0.00 0.69 0.00 0.00 54.13 55.16 3d80 s LEU 49 Cb -0.15 -0.83 -0.02 0.00 -0.43 0.00 0.00 46.19 44.76 3d80 s LEU 49 CO 0.55 0.16 -0.15 0.68 -0.29 0.00 0.00 176.35 177.29 3d80 s VAL 50 N -0.13 2.91 -0.12 1.68 -7.23 0.09 -0.70 120.40 116.91 3d80 s VAL 50 Ca 0.01 -0.75 -0.01 0.00 -1.81 0.00 0.00 61.98 59.42 3d80 s VAL 50 Cb -0.08 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 3d80 s VAL 50 CO 0.01 0.57 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.64 3d80 s ILE 51 N -0.30 3.44 0.08 -0.62 1.01 0.29 -0.88 121.20 124.21 3d80 s ILE 51 Ca 0.02 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 3d80 s ILE 51 Cb -0.13 -2.45 -0.00 0.00 0.01 0.00 0.00 42.46 39.89 3d80 s ILE 51 CO 0.03 0.53 0.18 0.00 0.00 0.00 0.00 174.94 175.68 3d80 s MET 52 N 0.09 0.80 0.83 2.79 0.23 -0.58 -1.65 119.30 121.81 3d80 s MET 52 Ca -0.03 -0.89 -0.11 0.00 -1.03 0.00 0.00 55.69 53.63 3d80 s MET 52 Cb -0.14 0.32 0.09 0.00 -1.53 0.00 0.00 34.83 33.57 3d80 s MET 52 CO 0.04 -0.25 1.09 0.20 -2.03 0.00 0.00 175.02 174.07 3d80 s GLY 53 N -2.67 1.64 0.24 3.16 0.00 0.04 -1.16 107.32 108.57 3d80 s GLY 53 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.75 3d80 s GLY 53 CO -0.09 0.44 1.65 -0.09 0.00 0.00 0.00 173.10 175.01 3d80 h ARG 54 N -1.27 0.61 -0.36 2.90 1.12 -1.84 -1.65 114.38 113.89 3d80 h ARG 54 Ca -0.47 -0.26 -0.11 0.00 -1.11 0.00 0.00 59.98 58.03 3d80 h ARG 54 Cb 1.26 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.19 3d80 h ARG 54 CO 0.55 0.83 -0.22 0.87 -3.11 0.00 0.00 179.97 178.89 3d80 h LYS 55 N 0.53 0.77 -0.22 0.20 1.57 -1.93 -2.40 116.57 115.09 3d80 h LYS 55 Ca 0.07 -0.36 0.03 0.00 -1.87 0.00 0.00 60.65 58.52 3d80 h LYS 55 Cb 0.75 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 3d80 h LYS 55 CO 0.06 0.98 0.05 1.15 -0.57 0.00 0.00 179.45 181.12 3d80 h THR 56 N 0.56 0.91 -0.36 -0.16 2.02 -1.85 -1.68 112.91 112.35 3d80 h THR 56 Ca 0.07 -0.05 0.08 0.00 0.77 0.00 0.00 66.41 67.28 3d80 h THR 56 Cb 0.77 0.75 -0.09 0.00 -1.74 0.00 0.00 68.15 67.85 3d80 h THR 56 CO 0.06 0.03 -0.29 -0.25 0.37 0.00 0.00 175.52 175.43 3d80 h TRP 57 N 0.15 -0.80 0.00 3.16 2.91 -1.10 -1.82 115.95 118.44 3d80 h TRP 57 Ca 0.10 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.17 3d80 h TRP 57 Cb 0.09 0.41 0.00 0.00 -0.51 0.00 0.00 29.16 29.14 3d80 h TRP 57 CO -0.14 -0.36 0.00 0.74 -1.03 0.00 0.00 178.44 177.65 3d80 h PHE 58 N -0.25 0.00 0.00 2.65 -1.00 -1.30 -2.91 116.94 114.13 3d80 h PHE 58 Ca 0.17 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.91 3d80 h PHE 58 Cb 0.51 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.07 3d80 h PHE 58 CO -0.49 0.00 -0.73 0.77 -1.61 0.00 0.00 178.31 176.25 3d80 h SER 59 N 0.00 0.00 -2.90 2.17 0.02 -0.63 -3.45 113.55 108.76 3d80 h SER 59 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 3d80 h SER 59 Cb 0.56 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.15 3d80 h SER 59 CO 0.00 0.13 0.88 -0.63 -1.14 0.00 0.00 176.83 176.07 3d80 s ILE 60 N -3.22 2.53 0.15 3.27 1.01 -0.75 -4.92 121.20 119.28 3d80 s ILE 60 Ca 0.02 0.39 -0.34 0.00 0.00 0.00 0.00 60.65 60.72 3d80 s ILE 60 Cb 0.08 -3.25 -0.16 0.00 0.01 0.00 0.00 42.46 39.14 3d80 s ILE 60 CO 0.76 0.04 1.26 -2.65 0.00 0.00 0.00 174.94 174.35 3d80 n PRO 61 N 3.68 1.31 -0.35 2.79 -0.02 -1.26 -4.84 135.00 136.31 3d80 n PRO 61 Ca 0.13 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 3d80 n PRO 61 Cb 0.38 -2.04 0.32 0.00 -0.02 0.00 0.00 33.50 32.14 3d80 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3d80 h GLU 62 N 3.95 0.76 0.00 -0.52 4.81 -1.91 0.64 114.58 122.31 3d80 h GLU 62 Ca -0.45 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3d80 h GLU 62 Cb 1.33 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3d80 h GLU 62 CO 0.74 0.50 0.00 1.57 -0.73 0.00 0.00 179.01 181.09 3d80 h LYS 63 N 0.78 0.00 -0.39 1.92 2.10 -2.01 -2.05 116.57 116.92 3d80 h LYS 63 Ca 0.57 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.22 3d80 h LYS 63 Cb 0.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 3d80 h LYS 63 CO -0.37 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.17 3d80 n ASN 64 N -2.71 3.03 -4.79 7.07 3.02 0.21 -4.98 115.26 116.12 3d80 n ASN 64 Ca -0.02 -2.00 -0.36 0.00 -0.03 0.00 0.00 54.58 52.18 3d80 n ASN 64 Cb 0.07 -0.26 -0.08 0.00 -0.61 0.00 0.00 39.78 38.90 3d80 n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3d80 s ARG 65 N -1.00 3.21 0.82 3.52 0.52 -0.77 -3.35 118.95 121.90 3d80 s ARG 65 Ca 0.26 -0.28 -0.11 0.00 -0.52 0.00 0.00 55.73 55.07 3d80 s ARG 65 Cb 0.13 -2.99 0.09 0.00 0.52 0.00 0.00 34.95 32.70 3d80 s ARG 65 CO 0.18 0.73 1.09 -1.25 0.02 0.00 0.00 175.30 176.07 3d80 s PRO 66 N -1.04 1.86 -0.13 3.54 0.04 -1.26 -5.00 135.00 133.01 3d80 s PRO 66 Ca 0.15 0.92 -0.34 0.00 0.04 0.00 0.00 61.00 61.76 3d80 s PRO 66 Cb -0.12 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.44 3d80 s PRO 66 CO 0.04 -1.85 1.91 1.28 0.04 0.00 0.00 177.00 178.43 3d80 n LEU 67 N -3.63 3.29 -4.78 -3.56 4.77 -1.21 -4.85 117.00 107.04 3d80 n LEU 67 Ca 0.08 0.90 -0.41 0.00 -0.03 0.00 0.00 56.01 56.55 3d80 n LEU 67 Cb 0.54 -1.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.27 3d80 n LEU 67 CO 0.55 -0.15 1.08 -0.75 -1.33 0.00 0.00 177.39 176.79 3d80 s LYS 68 N 4.33 4.18 -1.61 3.23 2.20 -1.26 -3.07 119.74 127.74 3d80 s LYS 68 Ca 0.95 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 59.00 3d80 s LYS 68 Cb -0.71 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 3d80 s LYS 68 CO 0.52 -0.42 0.00 -0.25 -0.36 0.00 0.00 175.35 174.84 3d80 n ASP 69 N 0.55 -4.83 -4.11 1.43 8.00 -1.26 -4.97 116.55 111.37 3d80 n ASP 69 Ca 0.01 0.37 -0.18 0.00 0.71 0.00 0.00 54.79 55.69 3d80 n ASP 69 Cb 0.40 -3.68 -0.13 0.00 -0.02 0.00 0.00 41.12 37.69 3d80 n ASP 69 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3d80 s ARG 70 N -3.32 0.80 -0.02 -1.24 0.52 -1.17 -4.51 118.95 110.00 3d80 s ARG 70 Ca 0.00 -0.70 -0.30 0.00 -0.52 0.00 0.00 55.73 54.21 3d80 s ARG 70 Cb 0.00 -0.76 -0.03 0.00 0.52 0.00 0.00 34.95 34.67 3d80 s ARG 70 CO 0.00 0.19 1.07 0.42 0.02 0.00 0.00 175.30 176.99 3d80 s ILE 71 N -0.87 4.58 -0.19 1.52 1.01 -0.54 -4.79 121.20 121.91 3d80 s ILE 71 Ca -0.01 1.85 -0.05 0.00 0.00 0.00 0.00 60.65 62.45 3d80 s ILE 71 Cb -0.08 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 3d80 s ILE 71 CO 0.01 0.09 -0.01 0.20 0.00 0.00 0.00 174.94 175.23 3d80 s ASN 72 N 1.12 4.83 -0.13 3.58 0.02 -1.26 -0.73 114.94 122.37 3d80 s ASN 72 Ca 0.53 -0.19 0.00 0.00 -1.02 0.00 0.00 52.86 52.19 3d80 s ASN 72 Cb -0.23 -1.82 -0.01 0.00 0.02 0.00 0.00 41.25 39.21 3d80 s ASN 72 CO 0.25 0.08 -0.14 -0.63 0.02 0.00 0.00 177.10 176.68 3d80 s ILE 73 N 0.88 2.91 -0.14 0.60 1.01 -0.06 -1.22 121.20 125.18 3d80 s ILE 73 Ca 0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 3d80 s ILE 73 Cb -0.14 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 3d80 s ILE 73 CO 0.02 0.53 -0.04 -0.69 0.00 0.00 0.00 174.94 174.76 3d80 s VAL 74 N 0.40 3.91 -0.15 2.92 1.01 -0.72 -1.52 120.40 126.24 3d80 s VAL 74 Ca -0.11 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 3d80 s VAL 74 Cb -0.16 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3d80 s VAL 74 CO 0.06 0.51 0.46 -0.76 0.00 0.00 0.00 175.10 175.37 3d80 s LEU 75 N 0.12 4.23 -0.19 3.92 1.43 -0.31 -1.55 118.68 126.33 3d80 s LEU 75 Ca -0.01 0.72 -0.22 0.00 -1.03 0.00 0.00 54.13 53.59 3d80 s LEU 75 Cb -0.14 -2.65 0.06 0.00 0.03 0.00 0.00 46.19 43.49 3d80 s LEU 75 CO 0.03 -0.04 0.61 -0.55 0.23 0.00 0.00 176.35 176.62 3d80 s SER 76 N 0.79 -0.62 0.02 2.29 0.15 -0.83 -2.44 113.70 113.06 3d80 s SER 76 Ca 0.24 1.11 0.23 0.00 0.70 0.00 0.00 55.95 58.23 3d80 s SER 76 Cb -0.15 1.11 0.08 0.00 -1.71 0.00 0.00 66.02 65.35 3d80 s SER 76 CO 0.09 -0.28 1.08 0.54 1.20 0.00 0.00 173.24 175.88 3d80 n ARG 77 N 2.42 0.14 -0.07 5.44 1.74 -1.26 -4.04 116.66 121.04 3d80 n ARG 77 Ca -0.15 -0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 56.84 3d80 n ARG 77 Cb 0.56 -1.54 -0.08 0.00 -1.02 0.00 0.00 32.46 30.38 3d80 n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3d80 n GLU 78 N -1.72 1.23 -2.11 5.56 1.02 -1.26 -4.97 120.64 118.39 3d80 n GLU 78 Ca 0.03 0.04 -0.37 0.00 -0.02 0.00 0.00 57.16 56.85 3d80 n GLU 78 Cb 0.38 -1.30 0.01 0.00 -0.02 0.00 0.00 31.44 30.51 3d80 n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3d80 s LEU 79 N -5.37 3.88 -0.03 -4.62 1.43 -1.26 -4.96 118.68 107.75 3d80 s LEU 79 Ca -0.13 2.40 0.07 0.00 -1.03 0.00 0.00 54.13 55.44 3d80 s LEU 79 Cb 0.04 -4.36 -0.11 0.00 0.03 0.00 0.00 46.19 41.79 3d80 s LEU 79 CO 0.41 -1.23 0.12 0.29 0.23 0.00 0.00 176.35 176.18 3d80 n LYS 80 N -0.92 1.00 -4.54 1.70 4.76 -1.26 -4.94 118.16 113.96 3d80 n LYS 80 Ca 0.10 -0.05 -0.30 0.00 -2.87 0.00 0.00 58.31 55.19 3d80 n LYS 80 Cb 0.48 -1.18 -0.13 0.00 -1.84 0.00 0.00 35.03 32.36 3d80 n LYS 80 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3d80 s GLU 81 N -2.42 1.72 0.34 1.97 2.02 -1.26 -5.09 118.70 115.99 3d80 s GLU 81 Ca -0.03 -1.18 -0.28 0.00 0.02 0.00 0.00 54.97 53.50 3d80 s GLU 81 Cb 0.04 -2.03 -0.12 0.00 0.10 0.00 0.00 34.13 32.12 3d80 s GLU 81 CO 0.30 0.49 1.36 -2.30 0.02 0.00 0.00 175.26 175.13 3d80 n PRO 82 N 1.21 2.27 -1.57 0.39 -0.02 -1.26 -4.94 135.00 131.08 3d80 n PRO 82 Ca -0.17 0.80 -0.38 0.00 -2.02 0.00 0.00 63.50 61.73 3d80 n PRO 82 Cb 0.52 -2.43 0.05 0.00 -0.02 0.00 0.00 33.50 31.63 3d80 n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3d80 n PRO 83 N 0.71 0.77 -1.67 0.52 -0.02 -1.26 -4.84 135.00 129.19 3d80 n PRO 83 Ca 0.05 0.30 -0.46 0.00 -2.02 0.00 0.00 63.50 61.36 3d80 n PRO 83 Cb 0.36 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 3d80 n PRO 83 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3d80 n ARG 84 N -0.75 2.20 0.00 -0.52 3.00 -1.26 -1.16 116.66 118.17 3d80 n ARG 84 Ca 0.13 0.80 0.00 0.00 -0.00 0.00 0.00 57.85 58.78 3d80 n ARG 84 Cb 0.47 -2.59 0.00 0.00 0.00 0.00 0.00 32.46 30.34 3d80 n ARG 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3d80 n GLY 85 N 3.71 3.32 3.77 5.14 0.00 -1.26 -4.89 105.19 114.98 3d80 n GLY 85 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3d80 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d80 s ALA 86 N -2.92 3.23 0.05 4.61 0.00 -0.31 -4.30 121.76 122.11 3d80 s ALA 86 Ca 0.00 0.61 -0.14 0.00 0.00 0.00 0.00 51.96 52.44 3d80 s ALA 86 Cb 0.00 -3.22 -0.32 0.00 0.00 0.00 0.00 23.12 19.58 3d80 s ALA 86 CO 0.00 0.07 1.07 0.45 0.00 0.00 0.00 175.76 177.35 3d80 h HIS 87 N 3.27 0.92 -3.90 0.00 -0.00 -1.48 -3.45 115.15 110.51 3d80 h HIS 87 Ca -0.47 -0.64 -0.14 0.00 -0.00 0.00 0.00 60.37 59.13 3d80 h HIS 87 Cb 1.20 -0.05 -0.18 0.00 -0.00 0.00 0.00 27.41 28.38 3d80 h HIS 87 CO 0.60 1.49 -0.58 -0.06 -0.00 0.00 0.00 177.93 179.38 3d80 s PHE 88 N -2.76 0.26 -0.06 2.45 0.08 -0.98 -5.03 117.98 111.93 3d80 s PHE 88 Ca -0.08 -0.58 0.04 0.00 0.12 0.00 0.00 56.93 56.42 3d80 s PHE 88 Cb 0.05 -0.19 -0.02 0.00 -0.57 0.00 0.00 43.02 42.29 3d80 s PHE 88 CO 0.93 -0.33 -0.17 -1.17 -0.10 0.00 0.00 175.22 174.39 3d80 s LEU 89 N -2.08 2.59 0.01 -0.37 0.20 -1.26 -1.76 118.68 116.00 3d80 s LEU 89 Ca -0.06 -0.27 0.04 0.00 0.69 0.00 0.00 54.13 54.53 3d80 s LEU 89 Cb -0.02 -1.52 -0.01 0.00 -0.43 0.00 0.00 46.19 44.21 3d80 s LEU 89 CO -0.04 0.31 -0.12 0.00 -0.29 0.00 0.00 176.35 176.20 3d80 s ALA 90 N -0.53 1.03 -1.72 5.97 0.00 -0.59 -4.96 121.76 120.95 3d80 s ALA 90 Ca 0.07 -0.63 0.29 0.00 0.00 0.00 0.00 51.96 51.69 3d80 s ALA 90 Cb -0.11 -0.22 1.22 0.00 0.00 0.00 0.00 23.12 24.01 3d80 s ALA 90 CO 0.01 0.22 1.85 0.36 0.00 0.00 0.00 175.76 178.21 3d80 n LYS 91 N 2.44 0.77 -3.48 0.00 2.85 -1.26 -1.96 118.16 117.52 3d80 n LYS 91 Ca -0.16 -0.28 -0.12 0.00 -1.05 0.00 0.00 58.31 56.71 3d80 n LYS 91 Cb 0.55 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.41 3d80 n LYS 91 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3d80 s SER 92 N -2.43 -0.47 0.25 -5.58 1.04 -1.26 -4.57 113.70 100.68 3d80 s SER 92 Ca 0.30 -0.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.60 3d80 s SER 92 Cb 0.20 0.56 0.29 0.00 0.10 0.00 0.00 66.02 67.17 3d80 s SER 92 CO 0.46 -0.94 1.76 0.25 0.98 0.00 0.00 173.24 175.76 3d80 h LEU 93 N 2.10 0.86 -0.74 2.42 5.85 -2.00 -2.21 115.31 121.59 3d80 h LEU 93 Ca -0.34 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.10 3d80 h LEU 93 Cb 1.29 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3d80 h LEU 93 CO 0.41 0.87 -0.01 0.44 -0.34 0.00 0.00 178.44 179.81 3d80 h ASP 94 N 0.86 0.92 -0.72 1.25 3.45 -1.99 0.19 116.42 120.39 3d80 h ASP 94 Ca 0.18 -0.25 0.02 0.00 0.43 0.00 0.00 57.03 57.40 3d80 h ASP 94 Cb 0.39 -0.25 -0.04 0.00 -0.56 0.00 0.00 39.33 38.88 3d80 h ASP 94 CO 0.01 0.99 0.47 0.44 -1.57 0.00 0.00 179.24 179.57 3d80 h ASP 95 N 0.87 0.79 -0.44 6.45 5.19 -1.90 -1.44 116.42 125.94 3d80 h ASP 95 Ca 0.16 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.53 3d80 h ASP 95 Cb 0.53 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 3d80 h ASP 95 CO 0.03 0.57 0.18 0.00 -3.12 0.00 0.00 179.24 176.89 3d80 h ALA 96 N 1.28 0.58 -0.56 3.45 0.00 -0.72 -1.09 119.26 122.19 3d80 h ALA 96 Ca 0.27 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3d80 h ALA 96 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3d80 h ALA 96 CO -0.08 0.18 -0.05 -0.07 0.00 0.00 0.00 179.25 179.24 3d80 h LEU 97 N 0.57 1.00 -0.81 0.00 3.38 -0.81 -1.68 115.31 116.96 3d80 h LEU 97 Ca 0.15 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3d80 h LEU 97 Cb 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3d80 h LEU 97 CO -0.01 1.08 0.07 0.03 0.09 0.00 0.00 178.44 179.69 3d80 h ARG 98 N 0.91 0.96 -0.60 1.13 -0.00 -1.20 -2.84 114.38 112.75 3d80 h ARG 98 Ca 0.15 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.98 59.38 3d80 h ARG 98 Cb 0.60 -0.11 -0.03 0.00 0.00 0.00 0.00 29.97 30.43 3d80 h ARG 98 CO 0.04 0.90 0.35 1.25 0.00 0.00 0.00 179.97 182.51 3d80 h LEU 99 N 0.90 0.73 -1.70 3.04 5.85 -0.80 -2.70 115.31 120.62 3d80 h LEU 99 Ca 0.18 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3d80 h LEU 99 Cb 0.43 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3d80 h LEU 99 CO 0.01 0.59 -0.18 0.40 -0.34 0.00 0.00 178.44 178.93 3d80 h ILE 100 N 0.81 0.98 -0.02 4.05 2.04 -1.11 -1.46 117.51 122.80 3d80 h ILE 100 Ca 0.21 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3d80 h ILE 100 Cb 0.00 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3d80 h ILE 100 CO -0.04 0.17 0.00 -0.62 0.00 0.00 0.00 178.15 177.66 3d80 n GLU 101 N -4.12 1.46 -2.15 2.37 -0.58 -1.03 -4.73 120.64 111.86 3d80 n GLU 101 Ca -0.02 -0.67 -0.40 0.00 -0.42 0.00 0.00 57.16 55.65 3d80 n GLU 101 Cb 0.25 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.63 3d80 n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3d80 s GLN 102 N -1.98 4.20 0.43 3.49 -1.52 -0.55 -4.92 119.66 118.80 3d80 s GLN 102 Ca 0.40 2.11 0.12 0.00 -1.95 0.00 0.00 55.36 56.04 3d80 s GLN 102 Cb 0.21 -2.91 0.99 0.00 -0.22 0.00 0.00 33.01 31.07 3d80 s GLN 102 CO 0.33 -0.29 2.00 -1.00 -0.25 0.00 0.00 175.29 176.08 3d80 h PRO 103 N 3.05 0.43 0.00 2.91 0.13 -1.90 -1.67 132.00 134.96 3d80 h PRO 103 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3d80 h PRO 103 Cb 1.23 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3d80 h PRO 103 CO 0.64 0.29 0.00 -0.85 -0.23 0.00 0.00 178.00 177.85 3d80 n GLU 104 N -4.47 0.73 0.00 0.86 0.00 -1.26 -0.21 120.64 116.29 3d80 n GLU 104 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.29 3d80 n GLU 104 Cb 0.30 -1.29 0.00 0.00 0.00 0.00 0.00 31.44 30.46 3d80 n GLU 104 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3d80 n LEU 105 N -0.79 1.30 -0.12 -1.84 7.99 -0.63 -4.63 117.00 118.28 3d80 n LEU 105 Ca 0.10 -0.79 -0.05 0.00 -0.01 0.00 0.00 56.01 55.26 3d80 n LEU 105 Cb 0.05 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.38 3d80 n LEU 105 CO 0.08 0.26 0.87 0.00 -1.51 0.00 0.00 177.39 177.08 3d80 h ALA 106 N 1.80 0.38 -0.02 -1.18 0.00 -0.60 6.28 119.26 125.92 3d80 h ALA 106 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3d80 h ALA 106 Cb 0.36 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3d80 h ALA 106 CO 0.00 -0.37 0.00 0.45 0.00 0.00 0.00 179.25 179.33 3d80 n SER 107 N -5.16 0.31 -0.40 0.00 2.88 -1.26 -4.06 113.62 105.93 3d80 n SER 107 Ca 0.03 -2.00 0.04 0.00 -1.33 0.00 0.00 58.87 55.60 3d80 n SER 107 Cb 0.20 -0.12 0.06 0.00 -0.75 0.00 0.00 64.21 63.60 3d80 n SER 107 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3d80 n LYS 108 N -0.35 0.51 -3.69 -1.46 5.02 2.02 -4.71 118.16 115.50 3d80 n LYS 108 Ca 0.01 -1.69 -0.10 0.00 -2.02 0.00 0.00 58.31 54.50 3d80 n LYS 108 Cb 0.07 -0.87 -0.11 0.00 -0.02 0.00 0.00 35.03 34.11 3d80 n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3d80 s VAL 109 N -1.13 -0.08 0.00 -0.18 1.01 -0.62 -4.14 120.40 115.26 3d80 s VAL 109 Ca 0.14 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3d80 s VAL 109 Cb 0.13 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.90 3d80 s VAL 109 CO -0.00 0.04 0.00 -0.67 0.00 0.00 0.00 175.10 174.47 3d80 n ASP 110 N 4.37 0.00 -4.82 3.32 2.03 0.42 -4.88 116.55 116.99 3d80 n ASP 110 Ca -0.22 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.75 3d80 n ASP 110 Cb 0.55 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.88 3d80 n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3d80 s MET 111 N 0.71 4.23 -0.17 -0.67 -1.94 -1.26 -3.57 119.30 116.64 3d80 s MET 111 Ca 0.00 1.02 -0.03 0.00 -1.71 0.00 0.00 55.69 54.98 3d80 s MET 111 Cb 0.00 -2.40 -0.02 0.00 2.01 0.00 0.00 34.83 34.42 3d80 s MET 111 CO 0.00 0.10 -0.07 0.08 -0.01 0.00 0.00 175.02 175.12 3d80 s VAL 112 N -1.98 3.46 -0.13 -6.03 1.01 -1.26 -0.78 120.40 114.69 3d80 s VAL 112 Ca 0.57 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3d80 s VAL 112 Cb -0.12 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.76 3d80 s VAL 112 CO 0.17 0.48 -0.18 0.26 0.00 0.00 0.00 175.10 175.82 3d80 s TRP 113 N 0.69 2.33 -0.23 5.22 0.52 0.13 -1.59 118.94 126.00 3d80 s TRP 113 Ca -0.04 -1.16 -0.21 0.00 0.02 0.00 0.00 56.10 54.71 3d80 s TRP 113 Cb -0.15 -1.63 -0.02 0.00 -1.15 0.00 0.00 33.47 30.52 3d80 s TRP 113 CO 0.02 -0.56 0.66 0.42 0.02 0.00 0.00 176.95 177.51 3d80 s ILE 114 N 0.95 4.98 -0.62 2.03 -1.09 0.17 -0.55 121.20 127.07 3d80 s ILE 114 Ca -0.06 1.21 0.07 0.00 -2.23 0.00 0.00 60.65 59.64 3d80 s ILE 114 Cb -0.15 -3.96 0.17 0.00 -1.58 0.00 0.00 42.46 36.94 3d80 s ILE 114 CO -0.03 0.05 1.10 1.33 -1.23 0.00 0.00 174.94 176.16 3d80 n VAL 115 N 4.98 0.86 0.00 2.92 0.24 -0.66 -1.50 118.33 125.18 3d80 n VAL 115 Ca -0.00 -0.93 0.00 0.00 -2.04 0.00 0.00 64.34 61.37 3d80 n VAL 115 Cb 0.49 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 3d80 n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d80 n GLY 116 N 0.17 1.94 0.00 7.63 0.00 -1.26 -4.94 105.19 108.72 3d80 n GLY 116 Ca 0.07 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3d80 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d80 n GLY 117 N -1.29 1.72 0.18 -0.02 0.00 -1.26 -0.78 105.19 103.75 3d80 n GLY 117 Ca 0.00 -1.81 -0.05 0.00 0.00 0.00 0.00 46.02 44.16 3d80 n GLY 117 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3d80 h SER 118 N 0.00 -0.43 -0.86 1.61 0.87 -1.98 -1.38 113.55 111.39 3d80 h SER 118 Ca 0.00 0.12 0.09 0.00 -1.23 0.00 0.00 61.79 60.77 3d80 h SER 118 Cb 0.00 0.27 -0.07 0.00 -0.44 0.00 0.00 62.40 62.15 3d80 h SER 118 CO 0.00 -0.15 0.51 -1.28 -0.53 0.00 0.00 176.83 175.37 3d80 h SER 119 N -0.03 0.75 -0.14 6.23 0.87 -1.95 -1.73 113.55 117.54 3d80 h SER 119 Ca 0.19 0.04 -0.19 0.00 -1.23 0.00 0.00 61.79 60.59 3d80 h SER 119 Cb 0.32 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3d80 h SER 119 CO -0.41 0.43 -0.64 0.58 -0.53 0.00 0.00 176.83 176.26 3d80 h VAL 120 N 0.86 1.29 -0.36 2.23 2.07 -1.58 -2.45 116.25 118.31 3d80 h VAL 120 Ca 0.41 -1.85 0.02 0.00 0.82 0.00 0.00 66.70 66.09 3d80 h VAL 120 Cb 0.33 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3d80 h VAL 120 CO -0.23 0.59 0.21 1.88 0.02 0.00 0.00 177.57 180.03 3d80 h TYR 121 N 0.55 0.38 -0.24 1.57 0.99 -1.04 -1.46 116.97 117.73 3d80 h TYR 121 Ca -0.01 0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.79 3d80 h TYR 121 Cb 1.24 -0.12 -0.06 0.00 1.00 0.00 0.00 36.73 38.79 3d80 h TYR 121 CO 0.07 0.22 -0.15 1.96 -0.00 0.00 0.00 178.16 180.26 3d80 h GLN 122 N 0.42 -0.13 -0.47 4.88 4.20 -1.24 0.80 115.11 123.57 3d80 h GLN 122 Ca 0.14 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 3d80 h GLN 122 Cb 0.01 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3d80 h GLN 122 CO -0.07 -0.08 0.13 1.49 -0.67 0.00 0.00 178.83 179.63 3d80 h GLU 123 N -0.13 0.75 -0.75 1.46 4.57 -1.30 -1.60 114.58 117.57 3d80 h GLU 123 Ca 0.13 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 3d80 h GLU 123 Cb 0.33 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 3d80 h GLU 123 CO -0.32 0.72 0.31 0.00 -1.18 0.00 0.00 179.01 178.55 3d80 h ALA 124 N 0.99 0.97 0.00 2.92 0.00 -0.99 -2.74 119.26 120.41 3d80 h ALA 124 Ca 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3d80 h ALA 124 Cb 0.30 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3d80 h ALA 124 CO -0.00 0.58 -0.06 0.52 0.00 0.00 0.00 179.25 180.29 3d80 h MET 125 N 1.07 0.00 0.00 0.00 2.86 -0.61 -2.51 114.93 115.75 3d80 h MET 125 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3d80 h MET 125 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3d80 h MET 125 CO -0.02 0.06 0.00 0.09 1.06 0.00 0.00 176.91 178.10 3d80 n ASN 126 N -3.16 0.37 -4.79 1.22 3.02 -0.62 -4.90 115.26 106.40 3d80 n ASN 126 Ca 0.01 0.57 -0.37 0.00 -0.03 0.00 0.00 54.58 54.76 3d80 n ASN 126 Cb 0.37 -0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 38.82 3d80 n ASN 126 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3d80 s GLN 127 N -3.13 4.49 0.80 3.52 -0.21 -0.95 -5.06 119.66 119.12 3d80 s GLN 127 Ca 0.08 1.21 -0.11 0.00 0.02 0.00 0.00 55.36 56.56 3d80 s GLN 127 Cb 0.12 -2.79 0.07 0.00 1.00 0.00 0.00 33.01 31.41 3d80 s GLN 127 CO 0.41 0.29 1.09 -2.14 -2.12 0.00 0.00 175.29 172.82 3d80 s PRO 128 N -2.09 2.07 0.06 2.91 0.02 -1.26 -4.94 135.00 131.76 3d80 s PRO 128 Ca 0.49 0.89 0.00 0.00 0.02 0.00 0.00 61.00 62.41 3d80 s PRO 128 Cb -0.18 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.45 3d80 s PRO 128 CO 0.23 -1.70 0.00 0.41 -0.33 0.00 0.00 177.00 175.61 3d80 n GLY 129 N -1.57 -2.93 3.62 0.52 0.00 -1.25 -4.96 105.19 98.63 3d80 n GLY 129 Ca 0.08 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 3d80 n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3d80 s HIS 130 N -0.50 2.96 -0.04 1.61 5.65 -1.26 -4.54 115.29 119.17 3d80 s HIS 130 Ca 0.00 0.95 0.04 0.00 0.25 0.00 0.00 55.06 56.31 3d80 s HIS 130 Cb 0.00 -4.06 -0.00 0.00 -1.18 0.00 0.00 32.58 27.34 3d80 s HIS 130 CO 0.00 -1.07 -0.18 -1.17 -0.65 0.00 0.00 174.74 171.67 3d80 s LEU 131 N 4.09 1.93 -0.02 8.88 2.96 -0.13 -1.66 118.68 134.73 3d80 s LEU 131 Ca 0.47 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 3d80 s LEU 131 Cb -0.10 -1.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 3d80 s LEU 131 CO 0.24 0.16 -0.09 -0.13 -1.32 0.00 0.00 176.35 175.21 3d80 s ARG 132 N 0.01 2.54 -0.23 1.98 0.52 -0.15 -0.68 118.95 122.93 3d80 s ARG 132 Ca -0.04 -0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 54.47 3d80 s ARG 132 Cb -0.12 -2.47 0.03 0.00 0.52 0.00 0.00 34.95 32.91 3d80 s ARG 132 CO 0.02 0.61 -0.10 -0.51 0.02 0.00 0.00 175.30 175.35 3d80 s LEU 133 N -1.16 2.95 -0.56 2.53 1.43 -0.04 -0.47 118.68 123.37 3d80 s LEU 133 Ca 0.15 -0.86 -0.18 0.00 -1.03 0.00 0.00 54.13 52.20 3d80 s LEU 133 Cb -0.11 -1.61 0.10 0.00 0.03 0.00 0.00 46.19 44.60 3d80 s LEU 133 CO 0.05 -0.10 0.64 -0.36 0.23 0.00 0.00 176.35 176.80 3d80 s PHE 134 N 1.29 3.06 -0.21 0.29 0.40 0.94 -0.37 117.98 123.39 3d80 s PHE 134 Ca 0.00 -0.92 -0.03 0.00 -0.60 0.00 0.00 56.93 55.38 3d80 s PHE 134 Cb -0.16 -3.82 -0.01 0.00 0.51 0.00 0.00 43.02 39.54 3d80 s PHE 134 CO -0.07 -1.17 -0.06 0.08 0.70 0.00 0.00 175.22 174.71 3d80 s VAL 135 N 2.45 3.26 -0.35 -0.44 1.01 -0.11 -1.14 120.40 125.08 3d80 s VAL 135 Ca 0.10 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 3d80 s VAL 135 Cb -0.24 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 3d80 s VAL 135 CO 0.07 0.44 0.61 -0.89 0.00 0.00 0.00 175.10 175.33 3d80 s THR 136 N 1.38 4.92 -0.53 3.92 2.01 -0.15 -0.27 115.64 126.93 3d80 s THR 136 Ca 0.05 0.58 -0.25 0.00 0.31 0.00 0.00 61.69 62.38 3d80 s THR 136 Cb -0.14 -4.04 0.04 0.00 0.01 0.00 0.00 72.50 68.37 3d80 s THR 136 CO -0.03 -0.27 0.96 -0.13 -0.69 0.00 0.00 174.62 174.46 3d80 s ARG 137 N 2.63 3.39 -0.33 4.92 1.81 0.16 -0.95 118.95 130.59 3d80 s ARG 137 Ca 0.23 -0.12 -0.26 0.00 -1.72 0.00 0.00 55.73 53.86 3d80 s ARG 137 Cb -0.15 -4.02 0.01 0.00 -0.45 0.00 0.00 34.95 30.34 3d80 s ARG 137 CO 0.14 -1.45 0.92 0.42 -0.68 0.00 0.00 175.30 174.65 3d80 s ILE 138 N 4.00 4.64 -1.38 1.52 1.01 0.53 -1.53 121.20 129.99 3d80 s ILE 138 Ca 0.33 1.36 -0.06 0.00 0.00 0.00 0.00 60.65 62.28 3d80 s ILE 138 Cb -0.11 -4.29 0.08 0.00 0.01 0.00 0.00 42.46 38.15 3d80 s ILE 138 CO 0.21 -0.41 2.49 0.23 0.00 0.00 0.00 174.94 177.47 3d80 n MET 139 N 6.58 4.41 -3.54 2.79 2.81 0.11 -2.28 117.12 128.00 3d80 n MET 139 Ca 0.07 -3.22 -0.11 0.00 -1.81 0.00 0.00 57.70 52.64 3d80 n MET 139 Cb 0.48 -2.67 -0.04 0.00 -0.71 0.00 0.00 33.22 30.28 3d80 n MET 139 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3d80 s GLN 140 N -0.49 0.73 0.10 0.03 0.74 -1.26 -4.70 119.66 114.82 3d80 s GLN 140 Ca 0.57 -0.01 -0.18 0.00 0.05 0.00 0.00 55.36 55.79 3d80 s GLN 140 Cb 0.18 0.34 -0.07 0.00 1.10 0.00 0.00 33.01 34.57 3d80 s GLN 140 CO -0.09 -0.27 0.57 -1.21 -0.55 0.00 0.00 175.29 173.74 3d80 s GLU 141 N -1.86 4.14 -0.02 1.67 2.02 -1.26 -1.13 118.70 122.26 3d80 s GLU 141 Ca -0.00 0.67 -0.01 0.00 0.02 0.00 0.00 54.97 55.65 3d80 s GLU 141 Cb -0.01 -3.14 0.01 0.00 0.10 0.00 0.00 34.13 31.10 3d80 s GLU 141 CO -0.01 0.59 0.04 -0.06 0.02 0.00 0.00 175.26 175.84 3d80 s PHE 142 N -1.22 -0.03 0.01 1.61 0.08 -1.26 -4.99 117.98 112.18 3d80 s PHE 142 Ca 0.32 0.13 -0.32 0.00 0.12 0.00 0.00 56.93 57.18 3d80 s PHE 142 Cb -0.18 -0.05 -0.11 0.00 -0.57 0.00 0.00 43.02 42.11 3d80 s PHE 142 CO 0.19 -0.05 1.87 -1.91 -0.10 0.00 0.00 175.22 175.22 3d80 n GLU 143 N 3.40 2.48 -4.02 0.44 2.13 -1.26 -4.82 120.64 118.98 3d80 n GLU 143 Ca -0.17 0.91 -0.08 0.00 0.66 0.00 0.00 57.16 58.48 3d80 n GLU 143 Cb 0.57 -2.78 -0.11 0.00 0.27 0.00 0.00 31.44 29.39 3d80 n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3d80 s SER 144 N 3.58 0.34 0.00 4.31 0.01 -1.26 -4.73 113.70 115.95 3d80 s SER 144 Ca 0.88 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.45 3d80 s SER 144 Cb -0.58 0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.79 3d80 s SER 144 CO 0.45 -0.42 0.19 -0.90 0.41 0.00 0.00 173.24 172.97 3d80 n ASP 145 N 1.02 0.38 -4.14 2.44 3.85 0.13 -4.96 116.55 115.27 3d80 n ASP 145 Ca -0.20 -0.69 -0.24 0.00 -0.71 0.00 0.00 54.79 52.95 3d80 n ASP 145 Cb 0.57 0.56 -0.15 0.00 -1.35 0.00 0.00 41.12 40.75 3d80 n ASP 145 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3d80 s THR 146 N -0.56 1.31 0.05 2.12 2.01 -0.97 -4.99 115.64 114.60 3d80 s THR 146 Ca 0.00 -0.70 -0.00 0.00 0.31 0.00 0.00 61.69 61.30 3d80 s THR 146 Cb 0.00 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 3d80 s THR 146 CO 0.00 0.37 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.90 3d80 s PHE 147 N -0.33 0.52 0.06 4.92 0.40 -1.26 -0.74 117.98 121.55 3d80 s PHE 147 Ca 0.05 -0.85 -0.17 0.00 -0.60 0.00 0.00 56.93 55.35 3d80 s PHE 147 Cb -0.07 -0.36 -0.06 0.00 0.51 0.00 0.00 43.02 43.04 3d80 s PHE 147 CO -0.00 -0.27 0.51 0.12 0.70 0.00 0.00 175.22 176.28 3d80 s PHE 148 N -3.01 3.76 0.80 0.36 5.36 -0.56 -4.69 117.98 119.99 3d80 s PHE 148 Ca 0.00 1.15 -0.13 0.00 -0.96 0.00 0.00 56.93 56.99 3d80 s PHE 148 Cb 0.01 -2.41 0.08 0.00 -0.34 0.00 0.00 43.02 40.36 3d80 s PHE 148 CO -0.06 0.59 1.19 -2.14 -1.46 0.00 0.00 175.22 173.34 3d80 s PRO 149 N -1.20 1.74 0.33 10.12 0.02 -1.26 -4.94 135.00 139.81 3d80 s PRO 149 Ca 0.28 1.67 -0.28 0.00 0.02 0.00 0.00 61.00 62.69 3d80 s PRO 149 Cb -0.18 -1.80 -0.12 0.00 0.02 0.00 0.00 34.50 32.42 3d80 s PRO 149 CO 0.17 -2.12 1.31 -1.91 -0.33 0.00 0.00 177.00 174.12 3d80 n GLU 150 N -3.29 2.13 -3.48 5.54 2.13 -1.26 -4.97 120.64 117.44 3d80 n GLU 150 Ca 0.13 0.75 -0.43 0.00 0.66 0.00 0.00 57.16 58.27 3d80 n GLU 150 Cb 0.51 -2.34 -0.06 0.00 0.27 0.00 0.00 31.44 29.81 3d80 n GLU 150 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3d80 s ILE 151 N -0.92 4.68 -0.23 6.31 1.01 -1.26 -5.05 121.20 125.74 3d80 s ILE 151 Ca 0.57 -2.19 -0.29 0.00 0.00 0.00 0.00 60.65 58.74 3d80 s ILE 151 Cb -0.58 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 37.87 3d80 s ILE 151 CO 0.60 -0.89 1.52 -0.62 0.00 0.00 0.00 174.94 175.56 3d80 s ASP 152 N 2.25 6.50 0.00 3.58 3.68 -1.26 -4.89 116.67 126.53 3d80 s ASP 152 Ca 0.11 1.57 0.21 0.00 2.13 0.00 0.00 52.55 56.57 3d80 s ASP 152 Cb -0.21 -2.53 1.07 0.00 -1.45 0.00 0.00 42.92 39.80 3d80 s ASP 152 CO -0.03 -1.17 1.68 0.18 0.13 0.00 0.00 175.17 175.96 3d80 n LEU 153 N 8.07 0.00 0.14 -1.34 4.77 -1.26 -1.15 117.00 126.23 3d80 n LEU 153 Ca 0.17 0.29 0.13 0.00 -0.03 0.00 0.00 56.01 56.57 3d80 n LEU 153 Cb 0.45 -0.29 0.31 0.00 -2.33 0.00 0.00 43.42 41.56 3d80 n LEU 153 CO 0.64 -0.09 0.83 1.23 -1.33 0.00 0.00 177.39 178.67 3d80 h GLY 154 N 3.51 0.00 0.00 -0.72 0.00 -2.03 -3.37 103.07 100.46 3d80 h GLY 154 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 3d80 h GLY 154 CO 0.00 0.00 -1.60 1.17 0.00 0.00 0.00 176.54 176.11 3d80 n LYS 155 N -2.56 0.86 -4.36 4.80 4.81 -0.60 -4.99 118.16 116.12 3d80 n LYS 155 Ca 0.05 0.04 -0.34 0.00 -0.87 0.00 0.00 58.31 57.19 3d80 n LYS 155 Cb 0.47 -1.21 -0.11 0.00 0.02 0.00 0.00 35.03 34.20 3d80 n LYS 155 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3d80 s TYR 156 N -2.21 3.11 -0.19 5.64 1.51 -0.30 -4.52 117.35 120.39 3d80 s TYR 156 Ca -0.12 0.00 -0.11 0.00 -1.01 0.00 0.00 57.07 55.84 3d80 s TYR 156 Cb 0.03 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.96 3d80 s TYR 156 CO 0.27 0.25 0.16 0.21 -1.11 0.00 0.00 175.55 175.33 3d80 s LYS 157 N -0.31 4.19 -0.33 -0.62 2.20 -0.36 -4.48 119.74 120.02 3d80 s LYS 157 Ca 0.06 -0.15 -0.29 0.00 -0.36 0.00 0.00 55.97 55.23 3d80 s LYS 157 Cb -0.12 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 3d80 s LYS 157 CO 0.02 0.30 1.30 -1.17 -0.36 0.00 0.00 175.35 175.44 3d80 s LEU 158 N 0.35 3.82 0.11 5.43 2.96 -1.26 -1.06 118.68 129.04 3d80 s LEU 158 Ca 0.10 1.10 -0.31 0.00 -0.22 0.00 0.00 54.13 54.80 3d80 s LEU 158 Cb -0.11 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.96 3d80 s LEU 158 CO -0.01 -1.14 1.35 -0.76 -1.32 0.00 0.00 176.35 174.48 3d80 s LEU 159 N 4.51 4.38 0.39 -0.68 1.43 0.14 -4.91 118.68 123.94 3d80 s LEU 159 Ca 0.56 2.28 0.11 0.00 -1.03 0.00 0.00 54.13 56.06 3d80 s LEU 159 Cb -0.15 -3.59 0.80 0.00 0.03 0.00 0.00 46.19 43.28 3d80 s LEU 159 CO 0.25 -0.61 1.90 1.55 0.23 0.00 0.00 176.35 179.67 3d80 h PRO 160 N 6.65 0.12 -3.92 1.29 0.13 -1.94 -3.43 132.00 130.90 3d80 h PRO 160 Ca -0.42 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 3d80 h PRO 160 Cb 1.21 -0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 3d80 h PRO 160 CO 0.85 0.34 -0.35 -2.00 -0.23 0.00 0.00 178.00 176.60 3d80 s GLU 161 N -4.53 1.10 -0.16 0.86 2.12 -1.26 -5.06 118.70 111.76 3d80 s GLU 161 Ca -0.04 -1.17 -0.13 0.00 0.36 0.00 0.00 54.97 53.99 3d80 s GLU 161 Cb 0.15 0.36 0.05 0.00 0.26 0.00 0.00 34.13 34.95 3d80 s GLU 161 CO 0.72 -0.39 0.43 -0.47 -0.54 0.00 0.00 175.26 175.01 3d80 s TYR 162 N -3.96 -0.51 0.20 5.30 5.04 -1.26 -5.03 117.35 117.13 3d80 s TYR 162 Ca 0.16 1.19 -0.33 0.00 -2.44 0.00 0.00 57.07 55.66 3d80 s TYR 162 Cb 0.04 0.19 -0.13 0.00 0.35 0.00 0.00 41.96 42.41 3d80 s TYR 162 CO -0.01 -0.26 1.57 -0.35 -1.34 0.00 0.00 175.55 175.16 3d80 n PRO 163 N 3.24 2.31 -0.98 4.97 -0.04 -1.26 -1.90 135.00 141.35 3d80 n PRO 163 Ca -0.16 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 3d80 n PRO 163 Cb 0.57 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 3d80 n PRO 163 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3d80 n GLY 164 N 3.12 0.96 3.30 0.55 0.00 -1.26 -5.01 105.19 106.85 3d80 n GLY 164 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3d80 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d80 s VAL 165 N -3.85 3.30 0.15 1.61 1.01 -0.80 -5.10 120.40 116.72 3d80 s VAL 165 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 3d80 s VAL 165 Cb 0.00 -2.51 -0.08 0.00 0.00 0.00 0.00 36.38 33.79 3d80 s VAL 165 CO 0.00 0.41 0.72 -0.76 0.00 0.00 0.00 175.10 175.46 3d80 s LEU 166 N 1.46 4.53 0.00 3.92 1.43 -1.26 -4.53 118.68 124.24 3d80 s LEU 166 Ca 0.05 1.51 0.22 0.00 -1.03 0.00 0.00 54.13 54.88 3d80 s LEU 166 Cb -0.14 -3.25 -0.13 0.00 0.03 0.00 0.00 46.19 42.70 3d80 s LEU 166 CO -0.04 0.19 0.92 -1.20 0.23 0.00 0.00 176.35 176.45 3d80 n SER 167 N 1.46 0.75 -4.76 2.29 7.64 -1.26 -4.45 113.62 115.29 3d80 n SER 167 Ca -0.06 -0.66 -0.37 0.00 1.01 0.00 0.00 58.87 58.79 3d80 n SER 167 Cb 0.50 1.03 0.02 0.00 -1.01 0.00 0.00 64.21 64.75 3d80 n SER 167 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3d80 s GLU 168 N -3.10 3.21 0.24 1.43 8.01 -1.26 -4.75 118.70 122.48 3d80 s GLU 168 Ca 0.05 1.91 -0.30 0.00 0.01 0.00 0.00 54.97 56.64 3d80 s GLU 168 Cb 0.16 -2.12 -0.10 0.00 -4.31 0.00 0.00 34.13 27.75 3d80 s GLU 168 CO 0.85 -1.03 1.51 0.08 0.01 0.00 0.00 175.26 176.67 3d80 s VAL 169 N -1.51 2.50 0.30 2.63 1.01 -1.26 -4.69 120.40 119.38 3d80 s VAL 169 Ca 0.73 0.40 0.08 0.00 0.00 0.00 0.00 61.98 63.19 3d80 s VAL 169 Cb -0.32 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 3d80 s VAL 169 CO 0.37 0.06 0.21 -1.10 0.00 0.00 0.00 175.10 174.63 3d80 s GLN 170 N 0.00 2.71 -0.09 2.72 -1.52 0.88 -4.96 119.66 119.40 3d80 s GLN 170 Ca 0.63 -1.25 -0.08 0.00 -1.95 0.00 0.00 55.36 52.71 3d80 s GLN 170 Cb -0.44 -2.44 0.03 0.00 -0.22 0.00 0.00 33.01 29.94 3d80 s GLN 170 CO 0.41 0.24 0.24 -2.00 -0.25 0.00 0.00 175.29 173.93 3d80 s GLU 171 N -3.89 0.26 -0.09 2.91 2.12 -1.26 -1.12 118.70 117.64 3d80 s GLU 171 Ca 0.37 0.38 -0.04 0.00 0.36 0.00 0.00 54.97 56.03 3d80 s GLU 171 Cb -0.06 0.08 0.04 0.00 0.26 0.00 0.00 34.13 34.45 3d80 s GLU 171 CO 0.25 -0.06 0.20 -2.00 -0.54 0.00 0.00 175.26 173.11 3d80 s GLU 172 N 0.39 0.16 -1.46 4.30 2.12 -0.62 -4.89 118.70 118.71 3d80 s GLU 172 Ca -0.02 0.44 -0.10 0.00 0.36 0.00 0.00 54.97 55.65 3d80 s GLU 172 Cb -0.04 -0.12 0.06 0.00 0.26 0.00 0.00 34.13 34.29 3d80 s GLU 172 CO -0.02 -0.15 0.77 1.63 -0.54 0.00 0.00 175.26 176.95 3d80 n LYS 173 N 4.09 -4.95 -1.07 4.30 5.02 -1.26 -0.97 118.16 123.33 3d80 n LYS 173 Ca -0.24 0.65 -0.02 0.00 -2.02 0.00 0.00 58.31 56.68 3d80 n LYS 173 Cb 0.53 -5.50 -0.01 0.00 -0.02 0.00 0.00 35.03 30.03 3d80 n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d80 n GLY 174 N -1.53 0.46 3.35 0.72 0.00 -1.26 -5.00 105.19 101.95 3d80 n GLY 174 Ca -0.01 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3d80 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d80 s ILE 175 N -1.72 3.69 0.22 -0.61 1.01 -0.14 -5.11 121.20 118.55 3d80 s ILE 175 Ca 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 3d80 s ILE 175 Cb 0.00 -2.71 -0.08 0.00 0.01 0.00 0.00 42.46 39.68 3d80 s ILE 175 CO 0.00 0.38 0.68 -0.54 0.00 0.00 0.00 174.94 175.46 3d80 s LYS 176 N 1.52 4.13 0.15 2.79 1.02 -1.26 -1.58 119.74 126.51 3d80 s LYS 176 Ca 0.06 0.73 -0.19 0.00 0.02 0.00 0.00 55.97 56.59 3d80 s LYS 176 Cb -0.15 -2.82 0.05 0.00 -0.52 0.00 0.00 37.83 34.40 3d80 s LYS 176 CO -0.01 0.38 0.50 1.52 -0.92 0.00 0.00 175.35 176.82 3d80 s TYR 177 N -1.59 -0.34 0.07 3.18 -0.85 -0.28 -0.72 117.35 116.83 3d80 s TYR 177 Ca 0.44 0.06 -0.09 0.00 -0.52 0.00 0.00 57.07 56.96 3d80 s TYR 177 Cb -0.15 0.41 0.00 0.00 0.38 0.00 0.00 41.96 42.60 3d80 s TYR 177 CO 0.20 -0.80 0.19 -1.59 -1.52 0.00 0.00 175.55 172.03 3d80 s LYS 178 N -3.79 0.78 -0.22 -3.49 -2.85 -0.58 -0.08 119.74 109.51 3d80 s LYS 178 Ca 0.03 -0.82 -0.09 0.00 -1.00 0.00 0.00 55.97 54.09 3d80 s LYS 178 Cb 0.00 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 36.04 3d80 s LYS 178 CO -0.11 -0.24 0.12 -0.06 0.10 0.00 0.00 175.35 175.16 3d80 s PHE 179 N -3.31 3.31 0.13 1.78 2.99 -1.26 -0.66 117.98 120.96 3d80 s PHE 179 Ca 0.01 0.17 0.09 0.00 0.00 0.00 0.00 56.93 57.20 3d80 s PHE 179 Cb 0.02 -2.19 -0.04 0.00 0.00 0.00 0.00 43.02 40.81 3d80 s PHE 179 CO -0.08 0.12 -0.22 -1.21 -0.00 0.00 0.00 175.22 173.83 3d80 s GLU 180 N 0.75 1.24 -0.09 0.44 2.02 0.63 -4.79 118.70 118.91 3d80 s GLU 180 Ca 0.06 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.78 3d80 s GLU 180 Cb -0.13 -1.50 0.02 0.00 0.10 0.00 0.00 34.13 32.62 3d80 s GLU 180 CO 0.02 0.34 -0.08 0.08 0.02 0.00 0.00 175.26 175.64 3d80 s VAL 181 N -1.38 0.93 0.18 2.63 1.01 -1.26 -0.94 120.40 121.57 3d80 s VAL 181 Ca 0.11 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.90 3d80 s VAL 181 Cb -0.09 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3d80 s VAL 181 CO 0.06 0.34 -0.02 -0.31 0.00 0.00 0.00 175.10 175.17 3d80 s TYR 182 N 1.40 2.79 -0.02 5.22 1.51 0.50 -0.69 117.35 128.07 3d80 s TYR 182 Ca -0.02 -0.16 -0.01 0.00 -1.01 0.00 0.00 57.07 55.87 3d80 s TYR 182 Cb -0.13 -1.35 0.01 0.00 -0.11 0.00 0.00 41.96 40.38 3d80 s TYR 182 CO -0.04 0.52 0.04 -2.00 -1.11 0.00 0.00 175.55 172.97 3d80 s GLU 183 N -2.99 0.04 -0.12 -0.62 2.12 -0.23 -0.86 118.70 116.04 3d80 s GLU 183 Ca 0.27 0.09 0.01 0.00 0.36 0.00 0.00 54.97 55.70 3d80 s GLU 183 Cb -0.09 -0.03 0.02 0.00 0.26 0.00 0.00 34.13 34.29 3d80 s GLU 183 CO 0.18 -0.04 -0.14 0.21 -0.54 0.00 0.00 175.26 174.94 3d80 s LYS 184 N 0.23 2.14 0.00 4.30 2.20 0.14 -1.23 119.74 127.53 3d80 s LYS 184 Ca -0.02 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 3d80 s LYS 184 Cb -0.03 -1.91 0.00 0.00 -1.51 0.00 0.00 37.83 34.38 3d80 s LYS 184 CO -0.01 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.47 3d80 n LYS 185 N 4.48 1.19 -0.52 4.03 4.76 -1.26 -0.96 118.16 129.88 3d80 n LYS 185 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 3d80 n LYS 185 Cb 0.51 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 3d80 n LYS 185 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63