#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrn h LYS 8 N 0.00 0.00 -3.32 -2.82 1.57 -1.89 -3.44 116.57 106.67 3jrn h LYS 8 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 3jrn h LYS 8 Cb 0.00 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.02 3jrn h LYS 8 CO 0.00 0.00 -0.57 0.71 -0.57 0.00 0.00 179.45 179.02 3jrn s TYR 9 N -3.24 -0.17 0.09 -1.35 2.02 -1.07 -4.95 117.35 108.68 3jrn s TYR 9 Ca 0.07 0.44 0.08 0.00 -0.37 0.00 0.00 57.07 57.29 3jrn s TYR 9 Cb 0.10 0.00 -0.20 0.00 -0.40 0.00 0.00 41.96 41.47 3jrn s TYR 9 CO 0.54 -0.12 1.22 -0.44 -1.57 0.00 0.00 175.55 175.18 3jrn h ASP 10 N 6.47 0.00 -3.49 2.29 3.32 -0.33 -0.63 116.42 124.05 3jrn h ASP 10 Ca -0.32 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.45 3jrn h ASP 10 Cb 1.18 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.40 3jrn h ASP 10 CO 0.42 0.97 -0.68 -0.69 -1.72 0.00 0.00 179.24 177.55 3jrn s VAL 11 N -2.71 -0.05 -0.21 -1.35 1.01 -0.12 -1.41 120.40 115.55 3jrn s VAL 11 Ca 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 3jrn s VAL 11 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.31 3jrn s VAL 11 CO 0.82 0.08 -0.00 0.12 0.00 0.00 0.00 175.10 176.12 3jrn s PHE 12 N 1.09 3.02 -0.27 5.22 5.36 0.19 -0.11 117.98 132.48 3jrn s PHE 12 Ca -0.09 -0.55 -0.14 0.00 -0.96 0.00 0.00 56.93 55.19 3jrn s PHE 12 Cb -0.12 -2.10 -0.04 0.00 -0.34 0.00 0.00 43.02 40.42 3jrn s PHE 12 CO -0.04 -0.32 0.34 -0.51 -1.46 0.00 0.00 175.22 173.24 3jrn s LEU 13 N 1.16 4.04 -0.18 6.12 1.43 -0.37 -1.06 118.68 129.83 3jrn s LEU 13 Ca 0.03 0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 53.32 3jrn s LEU 13 Cb -0.14 -2.37 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 3jrn s LEU 13 CO 0.01 -0.17 -0.04 -0.55 0.23 0.00 0.00 176.35 175.83 3jrn s SER 14 N 1.66 4.55 0.13 2.29 0.15 -0.31 -4.73 113.70 117.45 3jrn s SER 14 Ca 0.14 -0.25 -0.25 0.00 0.70 0.00 0.00 55.95 56.29 3jrn s SER 14 Cb -0.16 -1.75 0.07 0.00 -1.71 0.00 0.00 66.02 62.47 3jrn s SER 14 CO 0.10 0.09 0.81 0.72 1.20 0.00 0.00 173.24 176.17 3jrn s PHE 15 N 0.80 -0.30 -0.54 3.44 -0.12 -1.26 -0.34 117.98 119.66 3jrn s PHE 15 Ca -0.01 0.05 -0.20 0.00 -0.05 0.00 0.00 56.93 56.71 3jrn s PHE 15 Cb -0.15 0.60 0.07 0.00 -0.63 0.00 0.00 43.02 42.92 3jrn s PHE 15 CO 0.02 -0.81 0.69 0.50 -0.05 0.00 0.00 175.22 175.57 3jrn s ARG 16 N -3.45 3.12 0.21 1.99 6.06 -1.26 -4.94 118.95 120.67 3jrn s ARG 16 Ca 0.07 -0.96 -0.18 0.00 -2.50 0.00 0.00 55.73 52.17 3jrn s ARG 16 Cb -0.02 -4.15 0.20 0.00 0.06 0.00 0.00 34.95 31.04 3jrn s ARG 16 CO -0.04 -1.37 1.58 0.78 -2.50 0.00 0.00 175.30 173.76 3jrn h GLY 17 N 9.98 0.10 -0.15 8.12 0.00 -1.97 -0.27 103.07 118.88 3jrn h GLY 17 Ca -0.28 0.41 0.28 0.00 0.00 0.00 0.00 47.33 47.74 3jrn h GLY 17 CO 1.03 -0.23 0.69 0.84 0.00 0.00 0.00 176.54 178.87 3jrn h HIS 18 N -0.09 0.55 0.01 5.60 6.17 -1.99 0.54 115.15 125.94 3jrn h HIS 18 Ca 0.29 0.02 -0.16 0.00 0.71 0.00 0.00 60.37 61.23 3jrn h HIS 18 Cb 0.57 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 30.32 3jrn h HIS 18 CO -0.68 0.05 -0.85 -0.44 0.71 0.00 0.00 177.93 176.71 3jrn h ASP 19 N 0.33 0.04 -0.00 3.26 3.32 -1.49 -3.45 116.42 118.43 3jrn h ASP 19 Ca 0.58 -0.71 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3jrn h ASP 19 Cb 1.61 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.14 3jrn h ASP 19 CO -0.25 1.34 -0.00 0.35 -1.72 0.00 0.00 179.24 178.96 3jrn n THR 20 N -4.44 0.00 -0.05 0.35 -2.24 -0.74 -4.78 114.28 102.38 3jrn n THR 20 Ca -0.24 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 60.96 3jrn n THR 20 Cb 0.64 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.85 3jrn n THR 20 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3jrn h ARG 21 N 0.01 -0.26 -0.00 -0.78 2.43 -1.05 -0.98 114.38 113.75 3jrn h ARG 21 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3jrn h ARG 21 Cb 0.00 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3jrn h ARG 21 CO 0.00 -0.18 -0.04 0.72 -1.51 0.00 0.00 179.97 178.97 3jrn n HIS 22 N -5.39 0.00 0.00 2.20 8.25 -1.26 -2.67 115.22 116.35 3jrn n HIS 22 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3jrn n HIS 22 Cb 0.30 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.99 3jrn n HIS 22 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3jrn n ASN 23 N -1.43 0.00 -0.23 0.41 0.23 -0.98 -4.66 115.26 108.60 3jrn n ASN 23 Ca 0.09 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.17 3jrn n ASN 23 Cb 0.31 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.15 3jrn n ASN 23 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 3jrn h PHE 24 N 0.00 0.00 -0.46 -2.53 3.57 -1.84 -1.73 116.94 113.95 3jrn h PHE 24 Ca 0.00 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3jrn h PHE 24 Cb 0.00 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3jrn h PHE 24 CO 0.00 -0.19 0.07 0.82 -2.23 0.00 0.00 178.31 176.78 3jrn h ILE 25 N 0.13 1.22 -0.45 1.41 1.08 -1.37 -0.57 117.51 118.96 3jrn h ILE 25 Ca 0.38 -0.82 -0.07 0.00 -0.39 0.00 0.00 64.86 63.96 3jrn h ILE 25 Cb 0.64 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 3jrn h ILE 25 CO -0.59 0.30 -0.01 0.77 -0.69 0.00 0.00 178.15 177.93 3jrn h SER 26 N 0.69 0.70 -0.11 1.72 4.64 -1.09 0.09 113.55 120.19 3jrn h SER 26 Ca 0.15 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 3jrn h SER 26 Cb 0.32 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3jrn h SER 26 CO 0.00 0.78 -0.46 -0.26 -0.87 0.00 0.00 176.83 176.02 3jrn h PHE 27 N 0.69 0.67 -0.43 4.77 0.04 -1.17 -2.42 116.94 119.10 3jrn h PHE 27 Ca 0.14 -0.29 -0.03 0.00 2.80 0.00 0.00 57.97 60.59 3jrn h PHE 27 Cb 0.44 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 3jrn h PHE 27 CO 0.02 1.06 0.14 1.25 -0.60 0.00 0.00 178.31 180.18 3jrn h LEU 28 N 0.10 0.62 -0.45 1.54 5.85 -0.95 -1.93 115.31 120.08 3jrn h LEU 28 Ca -0.03 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3jrn h LEU 28 Cb 1.10 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 3jrn h LEU 28 CO 0.10 0.65 0.25 0.22 -0.34 0.00 0.00 178.44 179.31 3jrn h TYR 29 N 0.55 0.63 -0.26 1.25 3.20 -1.04 -0.75 116.97 120.54 3jrn h TYR 29 Ca 0.14 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.02 3jrn h TYR 29 Cb 0.24 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 3jrn h TYR 29 CO 0.01 0.48 0.07 -0.22 -1.64 0.00 0.00 178.16 176.85 3jrn h LYS 30 N 0.59 0.17 -0.74 1.82 3.64 -1.28 -1.24 116.57 119.54 3jrn h LYS 30 Ca 0.16 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 3jrn h LYS 30 Cb 0.06 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3jrn h LYS 30 CO -0.02 0.11 0.24 1.49 -2.27 0.00 0.00 179.45 179.00 3jrn h GLU 31 N 0.17 1.13 -0.13 1.90 4.57 -1.13 -1.31 114.58 119.79 3jrn h GLU 31 Ca 0.12 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 3jrn h GLU 31 Cb 0.10 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3jrn h GLU 31 CO -0.14 0.95 0.03 -0.07 -1.18 0.00 0.00 179.01 178.60 3jrn h LEU 32 N 1.09 0.20 -1.30 1.64 3.38 -0.76 -2.12 115.31 117.43 3jrn h LEU 32 Ca 0.24 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3jrn h LEU 32 Cb 0.28 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3jrn h LEU 32 CO -0.01 0.37 0.46 0.58 0.09 0.00 0.00 178.44 179.93 3jrn h VAL 33 N 0.01 1.18 -0.47 1.22 2.07 -1.12 0.88 116.25 120.02 3jrn h VAL 33 Ca 0.04 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.23 3jrn h VAL 33 Cb 0.25 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3jrn h VAL 33 CO 0.00 0.18 0.30 -0.09 0.02 0.00 0.00 177.57 177.98 3jrn h ARG 34 N 0.96 0.58 -0.41 1.57 2.43 -0.97 -0.98 114.38 117.55 3jrn h ARG 34 Ca 0.26 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3jrn h ARG 34 Cb -0.10 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 3jrn h ARG 34 CO -0.05 0.39 0.00 0.54 -1.51 0.00 0.00 179.97 179.33 3jrn n ARG 35 N -4.79 1.03 -2.20 0.20 1.74 -0.82 -4.84 116.66 106.98 3jrn n ARG 35 Ca 0.02 -0.04 -0.17 0.00 -0.77 0.00 0.00 57.85 56.90 3jrn n ARG 35 Cb 0.04 -1.21 -0.02 0.00 -1.02 0.00 0.00 32.46 30.25 3jrn n ARG 35 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3jrn n SER 36 N -0.27 -4.93 -4.62 0.55 7.64 -0.37 -4.97 113.62 106.64 3jrn n SER 36 Ca 0.00 0.04 -0.41 0.00 1.01 0.00 0.00 58.87 59.52 3jrn n SER 36 Cb 0.11 -4.02 -0.07 0.00 -1.01 0.00 0.00 64.21 59.23 3jrn n SER 36 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3jrn s ILE 37 N -2.80 4.98 -0.35 0.44 1.01 0.26 -4.99 121.20 119.74 3jrn s ILE 37 Ca 0.00 1.01 -0.29 0.00 0.00 0.00 0.00 60.65 61.37 3jrn s ILE 37 Cb 0.00 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 3jrn s ILE 37 CO 0.00 -0.02 1.60 -0.60 0.00 0.00 0.00 174.94 175.91 3jrn s ARG 38 N 2.52 3.52 0.07 2.79 3.52 -1.26 -3.94 118.95 126.15 3jrn s ARG 38 Ca 0.25 1.25 0.07 0.00 -0.13 0.00 0.00 55.73 57.17 3jrn s ARG 38 Cb -0.15 -4.09 -0.03 0.00 -1.56 0.00 0.00 34.95 29.12 3jrn s ARG 38 CO 0.10 -1.63 -0.18 0.95 -0.81 0.00 0.00 175.30 173.72 3jrn s THR 39 N 5.96 1.49 -0.06 4.11 -4.23 -1.26 0.43 115.64 122.08 3jrn s THR 39 Ca 0.70 -1.30 0.05 0.00 -1.18 0.00 0.00 61.69 59.96 3jrn s THR 39 Cb -0.19 -1.34 -0.02 0.00 1.34 0.00 0.00 72.50 72.29 3jrn s THR 39 CO 0.32 0.00 -0.19 0.12 -0.54 0.00 0.00 174.62 174.34 3jrn s PHE 40 N -1.01 2.58 -0.17 3.99 5.36 0.84 -4.96 117.98 124.61 3jrn s PHE 40 Ca 0.04 -0.41 -0.07 0.00 -0.96 0.00 0.00 56.93 55.54 3jrn s PHE 40 Cb -0.09 -1.62 0.07 0.00 -0.34 0.00 0.00 43.02 41.04 3jrn s PHE 40 CO 0.03 -0.00 0.37 -1.59 -1.46 0.00 0.00 175.22 172.56 3jrn s LYS 41 N -0.43 0.29 1.01 10.12 -2.85 -1.26 -1.24 119.74 125.38 3jrn s LYS 41 Ca 0.05 0.88 -0.12 0.00 -1.00 0.00 0.00 55.97 55.77 3jrn s LYS 41 Cb -0.12 0.13 0.20 0.00 -2.06 0.00 0.00 37.83 35.98 3jrn s LYS 41 CO 0.02 -0.23 1.08 0.16 0.10 0.00 0.00 175.35 176.47 3jrn s ASP 42 N 2.18 2.41 0.59 0.03 1.47 -1.26 -5.06 116.67 117.03 3jrn s ASP 42 Ca -0.03 1.41 0.06 0.00 1.18 0.00 0.00 52.55 55.16 3jrn s ASP 42 Cb -0.11 -2.10 0.10 0.00 -0.34 0.00 0.00 42.92 40.48 3jrn s ASP 42 CO -0.11 -3.29 0.79 0.47 0.68 0.00 0.00 175.17 173.70 3jrn n ASP 43 N -4.31 1.71 -0.19 2.11 9.92 -1.26 -5.13 116.55 119.41 3jrn n ASP 43 Ca 0.05 -2.29 0.00 0.00 -0.53 0.00 0.00 54.79 52.02 3jrn n ASP 43 Cb 0.56 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 3jrn n ASP 43 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3jrn n LYS 44 N -2.32 0.00 -0.47 -1.24 4.76 -1.26 -5.12 118.16 112.51 3jrn n LYS 44 Ca 0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 3jrn n LYS 44 Cb 0.55 -0.18 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 3jrn n LYS 44 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3jrn n PRO 59 N 0.00 0.00 -0.19 1.97 -0.04 -1.26 -5.05 135.00 130.43 3jrn n PRO 59 Ca 0.00 0.21 -0.10 0.00 -0.04 0.00 0.00 63.50 63.57 3jrn n PRO 59 Cb 0.00 -1.78 0.01 0.00 -0.04 0.00 0.00 33.50 31.69 3jrn n PRO 59 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3jrn h ILE 60 N 0.00 1.27 0.00 0.52 2.04 -2.00 -2.06 117.51 117.27 3jrn h ILE 60 Ca 0.00 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 3jrn h ILE 60 Cb 0.02 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3jrn h ILE 60 CO 0.00 0.42 -0.21 -0.33 0.00 0.00 0.00 178.15 178.04 3jrn h GLU 61 N 0.86 0.00 -0.70 2.37 5.08 -1.99 -2.41 114.58 117.80 3jrn h GLU 61 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3jrn h GLU 61 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3jrn h GLU 61 CO 0.04 0.21 0.00 1.55 -1.00 0.00 0.00 179.01 179.80 3jrn n VAL 62 N -4.07 1.12 -4.29 3.13 3.14 -0.98 -4.87 118.33 111.51 3jrn n VAL 62 Ca -0.02 -0.98 -0.35 0.00 -2.96 0.00 0.00 64.34 60.02 3jrn n VAL 62 Cb 0.28 0.39 -0.09 0.00 -1.06 0.00 0.00 33.84 33.36 3jrn n VAL 62 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 3jrn s SER 63 N -0.97 5.44 0.03 6.55 0.01 -0.81 -1.52 113.70 122.42 3jrn s SER 63 Ca 0.48 0.20 -0.16 0.00 1.31 0.00 0.00 55.95 57.78 3jrn s SER 63 Cb 0.26 -1.58 -0.35 0.00 0.21 0.00 0.00 66.02 64.56 3jrn s SER 63 CO 0.30 0.38 1.00 -0.09 0.41 0.00 0.00 173.24 175.25 3jrn h ARG 64 N 5.13 0.54 -6.57 12.44 2.43 -1.24 -3.44 114.38 123.68 3jrn h ARG 64 Ca -0.52 -0.91 -0.64 0.00 -0.81 0.00 0.00 59.98 57.11 3jrn h ARG 64 Cb 1.20 0.34 -0.20 0.00 -0.42 0.00 0.00 29.97 30.88 3jrn h ARG 64 CO 0.55 1.43 -0.84 -0.06 -1.51 0.00 0.00 179.97 179.55 3jrn s PHE 65 N -2.62 2.16 -0.27 2.20 0.08 -0.50 -2.44 117.98 116.58 3jrn s PHE 65 Ca -0.09 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.56 3jrn s PHE 65 Cb 0.04 -1.13 0.08 0.00 -0.57 0.00 0.00 43.02 41.45 3jrn s PHE 65 CO 0.94 0.37 0.05 0.00 -0.10 0.00 0.00 175.22 176.48 3jrn s ALA 66 N -1.39 1.62 -0.38 5.36 0.00 -0.58 0.54 121.76 126.94 3jrn s ALA 66 Ca 0.15 -1.49 -0.20 0.00 0.00 0.00 0.00 51.96 50.43 3jrn s ALA 66 Cb -0.09 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.51 3jrn s ALA 66 CO 0.07 -1.48 0.59 0.08 0.00 0.00 0.00 175.76 175.02 3jrn s VAL 67 N 1.56 4.92 -0.34 0.00 1.01 -0.22 -0.58 120.40 126.75 3jrn s VAL 67 Ca 0.05 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.29 3jrn s VAL 67 Cb -0.18 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.16 3jrn s VAL 67 CO -0.17 -0.37 0.12 -0.69 0.00 0.00 0.00 175.10 173.99 3jrn s VAL 68 N 2.62 3.97 -0.74 2.92 1.01 -0.74 -1.16 120.40 128.29 3jrn s VAL 68 Ca 0.22 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 3jrn s VAL 68 Cb -0.15 -3.21 0.14 0.00 0.00 0.00 0.00 36.38 33.17 3jrn s VAL 68 CO 0.16 -0.14 0.83 -0.69 0.00 0.00 0.00 175.10 175.26 3jrn s VAL 69 N 1.45 5.00 -0.56 2.92 1.01 0.54 -0.95 120.40 129.81 3jrn s VAL 69 Ca -0.00 -1.53 -0.25 0.00 0.00 0.00 0.00 61.98 60.20 3jrn s VAL 69 Cb -0.19 -4.56 0.04 0.00 0.00 0.00 0.00 36.38 31.67 3jrn s VAL 69 CO 0.04 -1.20 0.99 -0.69 0.00 0.00 0.00 175.10 174.23 3jrn s VAL 70 N 2.03 4.32 0.58 2.92 1.01 -0.21 -4.25 120.40 126.80 3jrn s VAL 70 Ca 0.19 0.38 0.09 0.00 0.00 0.00 0.00 61.98 62.64 3jrn s VAL 70 Cb -0.15 -4.58 0.09 0.00 0.00 0.00 0.00 36.38 31.74 3jrn s VAL 70 CO -0.02 -1.17 0.77 -0.94 0.00 0.00 0.00 175.10 173.74 3jrn s SER 71 N 2.89 5.01 0.29 3.32 1.04 -1.26 -1.46 113.70 123.54 3jrn s SER 71 Ca 0.32 -0.92 0.05 0.00 0.48 0.00 0.00 55.95 55.88 3jrn s SER 71 Cb -0.12 0.39 0.74 0.00 0.10 0.00 0.00 66.02 67.14 3jrn s SER 71 CO 0.20 -1.37 1.72 -0.08 0.98 0.00 0.00 173.24 174.69 3jrn h GLU 72 N 0.20 0.49 -0.53 4.02 4.81 -1.85 -2.27 114.58 119.44 3jrn h GLU 72 Ca -0.30 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3jrn h GLU 72 Cb 1.29 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3jrn h GLU 72 CO 0.42 0.32 0.00 0.09 -0.73 0.00 0.00 179.01 179.11 3jrn n ASN 73 N -4.96 3.64 0.14 1.04 3.02 -1.26 -4.59 115.26 112.29 3jrn n ASN 73 Ca 0.23 -2.12 -0.14 0.00 -0.03 0.00 0.00 54.58 52.52 3jrn n ASN 73 Cb 0.64 -0.40 -0.07 0.00 -0.61 0.00 0.00 39.78 39.34 3jrn n ASN 73 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3jrn h TYR 74 N 3.18 -0.30 0.00 3.10 3.20 -1.78 -2.27 116.97 122.09 3jrn h TYR 74 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3jrn h TYR 74 Cb 0.97 0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.35 3jrn h TYR 74 CO 0.42 -0.18 0.00 0.00 -1.64 0.00 0.00 178.16 176.76 3jrn n ALA 75 N -2.26 1.62 0.27 1.82 0.00 -1.26 -1.90 120.51 118.80 3jrn n ALA 75 Ca -0.09 0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.52 3jrn n ALA 75 Cb 0.15 -1.30 0.40 0.00 0.00 0.00 0.00 19.45 18.70 3jrn n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jrn h ALA 76 N 2.36 1.00 -2.81 0.00 0.00 -1.69 -3.42 119.26 114.70 3jrn h ALA 76 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 3jrn h ALA 76 Cb 0.29 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.90 3jrn h ALA 76 CO 0.00 0.00 -0.50 0.45 0.00 0.00 0.00 179.25 179.20 3jrn s SER 77 N -5.83 6.04 0.43 0.00 0.15 -0.80 -4.95 113.70 108.74 3jrn s SER 77 Ca 0.05 -0.20 0.12 0.00 0.70 0.00 0.00 55.95 56.62 3jrn s SER 77 Cb 0.07 -2.13 0.92 0.00 -1.71 0.00 0.00 66.02 63.17 3jrn s SER 77 CO 0.60 -0.14 1.99 0.77 1.20 0.00 0.00 173.24 177.66 3jrn h SER 78 N 8.42 0.16 -0.58 5.45 4.64 -1.85 -1.93 113.55 127.87 3jrn h SER 78 Ca -0.33 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 60.88 3jrn h SER 78 Cb 1.17 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 3jrn h SER 78 CO 0.59 0.27 0.02 -0.50 -0.87 0.00 0.00 176.83 176.34 3jrn h TRP 79 N 0.17 1.10 -0.53 4.77 4.06 -1.92 0.71 115.95 124.30 3jrn h TRP 79 Ca 0.04 -0.18 -0.11 0.00 2.06 0.00 0.00 58.89 60.70 3jrn h TRP 79 Cb 0.26 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.11 3jrn h TRP 79 CO 0.00 0.97 -0.09 0.00 -3.56 0.00 0.00 178.44 175.77 3jrn h LEU 81 N 0.88 0.44 -0.77 0.00 3.38 -1.03 -0.57 115.31 117.64 3jrn h LEU 81 Ca 0.14 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3jrn h LEU 81 Cb 0.64 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3jrn h LEU 81 CO 0.04 0.69 -0.04 0.44 0.09 0.00 0.00 178.44 179.66 3jrn h ASP 82 N 0.39 0.87 -0.52 -0.43 3.32 -0.56 -0.62 116.42 118.86 3jrn h ASP 82 Ca 0.06 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.77 3jrn h ASP 82 Cb 0.65 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3jrn h ASP 82 CO 0.05 0.95 -0.06 -0.08 -1.72 0.00 0.00 179.24 178.38 3jrn h GLU 83 N 0.81 0.96 -0.59 3.56 4.81 -0.83 -0.95 114.58 122.36 3jrn h GLU 83 Ca 0.15 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 58.98 3jrn h GLU 83 Cb 0.54 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 3jrn h GLU 83 CO 0.03 1.00 0.14 1.25 -0.73 0.00 0.00 179.01 180.70 3jrn h LEU 84 N 0.83 0.86 -0.46 1.64 5.85 -0.71 -0.64 115.31 122.66 3jrn h LEU 84 Ca 0.14 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 3jrn h LEU 84 Cb 0.60 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3jrn h LEU 84 CO 0.04 0.84 -0.11 0.58 -0.34 0.00 0.00 178.44 179.44 3jrn h VAL 85 N 0.88 1.27 -0.33 1.05 2.07 -0.85 0.50 116.25 120.84 3jrn h VAL 85 Ca 0.19 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.49 3jrn h VAL 85 Cb 0.32 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3jrn h VAL 85 CO -0.00 0.42 0.18 0.74 0.02 0.00 0.00 177.57 178.94 3jrn h THR 86 N 0.74 1.02 -0.20 2.57 2.02 -0.70 -0.21 112.91 118.15 3jrn h THR 86 Ca 0.12 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3jrn h THR 86 Cb 0.66 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3jrn h THR 86 CO 0.05 0.07 0.08 0.40 0.37 0.00 0.00 175.52 176.48 3jrn h ILE 87 N 0.37 1.17 -0.04 3.11 2.04 -0.97 -2.65 117.51 120.54 3jrn h ILE 87 Ca 0.13 -0.50 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 3jrn h ILE 87 Cb 0.01 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3jrn h ILE 87 CO -0.07 0.16 -0.40 0.24 0.00 0.00 0.00 178.15 178.08 3jrn h MET 88 N 0.16 0.08 0.00 2.37 2.86 -0.70 0.26 114.93 119.96 3jrn h MET 88 Ca 0.07 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.57 3jrn h MET 88 Cb 0.18 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3jrn h MET 88 CO -0.01 0.47 -0.50 -0.44 1.06 0.00 0.00 176.91 177.49 3jrn h ASP 89 N 0.07 0.00 0.51 1.22 3.32 -0.96 -1.19 116.42 119.38 3jrn h ASP 89 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 3jrn h ASP 89 Cb 0.74 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.30 3jrn h ASP 89 CO 0.06 0.50 -1.20 -0.26 -1.72 0.00 0.00 179.24 176.62 3jrn h PHE 90 N 0.00 0.59 -0.59 4.55 0.04 -1.06 -3.27 116.94 117.21 3jrn h PHE 90 Ca -0.01 -0.40 -0.06 0.00 2.80 0.00 0.00 57.97 60.30 3jrn h PHE 90 Cb 0.90 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.99 3jrn h PHE 90 CO 0.00 1.29 0.11 1.49 -0.60 0.00 0.00 178.31 180.60 3jrn h GLU 91 N 0.13 0.93 -0.55 1.51 4.22 -0.73 0.13 114.58 120.21 3jrn h GLU 91 Ca -0.14 -0.21 -0.00 0.00 0.08 0.00 0.00 59.36 59.09 3jrn h GLU 91 Cb 1.90 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.99 3jrn h GLU 91 CO 0.20 0.85 0.33 -0.22 -2.18 0.00 0.00 179.01 177.99 3jrn h LYS 92 N 0.88 0.74 -0.74 1.92 3.64 -1.27 -1.24 116.57 120.49 3jrn h LYS 92 Ca 0.19 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.37 3jrn h LYS 92 Cb 0.36 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 3jrn h LYS 92 CO 0.00 0.52 0.17 0.36 -2.27 0.00 0.00 179.45 178.23 3jrn n LYS 93 N -4.43 3.72 -1.27 1.90 2.85 -1.03 -4.91 118.16 114.99 3jrn n LYS 93 Ca 0.05 -2.71 -0.09 0.00 -1.05 0.00 0.00 58.31 54.51 3jrn n LYS 93 Cb 0.07 -2.13 -0.04 0.00 -0.65 0.00 0.00 35.03 32.28 3jrn n LYS 93 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3jrn n GLY 94 N 0.11 0.98 0.00 2.58 0.00 -0.47 -4.87 105.19 103.52 3jrn n GLY 94 Ca 0.32 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.36 3jrn n GLY 94 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3jrn n SER 95 N -0.75 0.00 -3.55 1.61 7.64 0.44 -4.86 113.62 114.15 3jrn n SER 95 Ca -0.09 0.27 -0.15 0.00 1.01 0.00 0.00 58.87 59.91 3jrn n SER 95 Cb 0.48 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 63.21 3jrn n SER 95 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3jrn s ILE 96 N -2.84 0.00 -0.27 0.44 2.07 -1.23 -4.91 121.20 114.46 3jrn s ILE 96 Ca 0.19 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.34 3jrn s ILE 96 Cb 0.19 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.75 3jrn s ILE 96 CO 0.49 0.00 0.13 -0.89 -1.91 0.00 0.00 174.94 172.76 3jrn s THR 97 N -1.05 4.70 -0.14 4.00 2.01 -1.02 -4.29 115.64 119.84 3jrn s THR 97 Ca -0.06 -0.12 -0.13 0.00 0.31 0.00 0.00 61.69 61.68 3jrn s THR 97 Cb -0.01 -3.26 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 3jrn s THR 97 CO 0.06 0.24 0.29 -0.69 -0.69 0.00 0.00 174.62 173.83 3jrn s VAL 98 N 1.66 5.30 -0.34 3.82 1.01 -1.26 -1.52 120.40 129.06 3jrn s VAL 98 Ca 0.06 0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 3jrn s VAL 98 Cb -0.16 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.69 3jrn s VAL 98 CO 0.07 0.42 0.07 -0.04 0.00 0.00 0.00 175.10 175.62 3jrn s MET 99 N 0.22 2.03 0.22 2.72 -1.94 0.26 -4.88 119.30 117.94 3jrn s MET 99 Ca 0.17 -1.61 -0.30 0.00 -1.71 0.00 0.00 55.69 52.24 3jrn s MET 99 Cb -0.13 -3.30 -0.09 0.00 2.01 0.00 0.00 34.83 33.33 3jrn s MET 99 CO 0.05 -0.85 1.11 -2.14 -0.01 0.00 0.00 175.02 173.18 3jrn s PRO 100 N 1.11 4.61 -0.25 2.03 0.02 -1.26 -1.79 135.00 139.47 3jrn s PRO 100 Ca 0.03 1.77 -0.00 0.00 0.02 0.00 0.00 61.00 62.81 3jrn s PRO 100 Cb -0.21 -3.24 0.07 0.00 0.02 0.00 0.00 34.50 31.15 3jrn s PRO 100 CO -0.04 0.12 0.02 0.42 -0.33 0.00 0.00 177.00 177.19 3jrn s ILE 101 N -0.63 1.11 -0.56 2.83 -1.09 -0.13 -1.24 121.20 121.49 3jrn s ILE 101 Ca 0.47 -1.18 -0.23 0.00 -2.23 0.00 0.00 60.65 57.48 3jrn s ILE 101 Cb -0.31 -1.62 0.05 0.00 -1.58 0.00 0.00 42.46 39.00 3jrn s ILE 101 CO 0.38 -0.34 0.91 -0.36 -1.23 0.00 0.00 174.94 174.29 3jrn s PHE 102 N 1.55 2.80 -0.60 3.97 0.08 0.80 -1.05 117.98 125.53 3jrn s PHE 102 Ca 0.01 -0.16 -0.08 0.00 0.12 0.00 0.00 56.93 56.83 3jrn s PHE 102 Cb -0.18 -4.05 0.15 0.00 -0.57 0.00 0.00 43.02 38.38 3jrn s PHE 102 CO -0.12 -1.36 0.46 -0.47 -0.10 0.00 0.00 175.22 173.63 3jrn s TYR 103 N 3.82 3.50 0.00 0.36 6.14 -0.53 0.19 117.35 130.82 3jrn s TYR 103 Ca 0.27 -2.20 0.00 0.00 0.64 0.00 0.00 57.07 55.79 3jrn s TYR 103 Cb -0.14 -3.46 0.00 0.00 0.42 0.00 0.00 41.96 38.78 3jrn s TYR 103 CO 0.17 -0.94 0.00 0.41 0.64 0.00 0.00 175.55 175.83 3jrn n GLY 104 N 4.23 0.74 2.94 8.97 0.00 -1.26 -3.78 105.19 117.02 3jrn n GLY 104 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 3jrn n GLY 104 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jrn s VAL 105 N -2.65 0.39 0.43 1.61 -7.23 -1.26 -4.72 120.40 106.96 3jrn s VAL 105 Ca 0.00 -0.19 -0.24 0.00 -1.81 0.00 0.00 61.98 59.74 3jrn s VAL 105 Cb 0.00 -0.35 -0.08 0.00 0.56 0.00 0.00 36.38 36.51 3jrn s VAL 105 CO 0.00 0.12 1.15 -1.61 -0.31 0.00 0.00 175.10 174.45 3jrn s GLU 106 N 0.03 3.93 0.37 4.82 0.41 -1.26 -4.80 118.70 122.20 3jrn s GLU 106 Ca 0.00 1.77 0.04 0.00 -0.41 0.00 0.00 54.97 56.37 3jrn s GLU 106 Cb -0.04 -2.54 0.70 0.00 -1.78 0.00 0.00 34.13 30.48 3jrn s GLU 106 CO -0.00 -0.40 2.01 -1.35 -0.49 0.00 0.00 175.26 175.03 3jrn h PRO 107 N 2.35 0.75 0.00 0.39 0.11 -1.97 -1.77 132.00 131.86 3jrn h PRO 107 Ca -0.49 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 3jrn h PRO 107 Cb 1.24 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3jrn h PRO 107 CO 0.61 0.50 -0.33 -2.95 -0.21 0.00 0.00 178.00 175.62 3jrn h ASN 108 N 0.78 0.00 -0.26 -2.05 -1.07 -1.94 0.63 115.58 111.67 3jrn h ASN 108 Ca 0.23 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.47 3jrn h ASN 108 Cb -0.04 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.20 3jrn h ASN 108 CO -0.05 0.33 -0.30 0.45 0.07 0.00 0.00 177.43 177.93 3jrn h HIS 109 N 0.00 0.89 -0.21 4.14 3.86 -1.62 -1.76 115.15 120.46 3jrn h HIS 109 Ca -0.00 -0.23 -0.20 0.00 -1.16 0.00 0.00 60.37 58.77 3jrn h HIS 109 Cb 0.72 -0.20 0.01 0.00 1.06 0.00 0.00 27.41 28.99 3jrn h HIS 109 CO 0.00 0.97 -0.67 0.28 0.86 0.00 0.00 177.93 179.38 3jrn h VAL 110 N 0.65 1.28 -0.88 2.45 2.07 -1.15 0.33 116.25 121.00 3jrn h VAL 110 Ca 0.08 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 3jrn h VAL 110 Cb 0.83 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 3jrn h VAL 110 CO 0.07 0.60 0.50 -0.09 0.02 0.00 0.00 177.57 178.66 3jrn h ARG 111 N 0.57 1.21 -0.06 1.57 2.43 -0.65 -3.15 114.38 116.31 3jrn h ARG 111 Ca -0.02 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3jrn h ARG 111 Cb 1.29 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3jrn h ARG 111 CO 0.14 0.87 0.00 0.91 -1.51 0.00 0.00 179.97 180.39 3jrn n TRP 112 N -4.34 0.06 -3.47 2.20 7.02 -0.68 -4.32 117.44 113.90 3jrn n TRP 112 Ca 0.09 -0.07 -0.19 0.00 -1.02 0.00 0.00 57.50 56.31 3jrn n TRP 112 Cb 0.09 -0.00 0.08 0.00 -2.42 0.00 0.00 31.31 29.06 3jrn n TRP 112 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 3jrn n GLN 113 N 0.61 -7.05 -0.79 -0.99 3.00 0.90 -4.99 117.38 108.07 3jrn n GLN 113 Ca 0.07 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 3jrn n GLN 113 Cb 0.30 -5.82 0.00 0.00 0.00 0.00 0.00 30.24 24.71 3jrn n GLN 113 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 3jrn n THR 114 N -4.43 0.00 -4.05 5.09 -2.24 0.25 -2.42 114.28 106.47 3jrn n THR 114 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3jrn n THR 114 Cb 0.63 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3jrn n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jrn n GLY 115 N 5.00 2.93 0.26 3.38 0.00 -1.26 -1.83 105.19 113.67 3jrn n GLY 115 Ca 0.00 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.80 3jrn n GLY 115 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3jrn h VAL 116 N 0.00 0.46 0.00 1.61 -1.51 -1.93 -2.98 116.25 111.89 3jrn h VAL 116 Ca 0.00 -0.69 -0.04 0.00 -1.23 0.00 0.00 66.70 64.75 3jrn h VAL 116 Cb 0.00 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 3jrn h VAL 116 CO 0.00 0.13 -0.18 -0.07 -1.23 0.00 0.00 177.57 176.22 3jrn h LEU 117 N 0.00 0.00 0.26 4.19 4.07 -1.61 -3.16 115.31 119.05 3jrn h LEU 117 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3jrn h LEU 117 Cb 0.47 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 3jrn h LEU 117 CO 0.02 0.18 -0.25 0.00 -1.08 0.00 0.00 178.44 177.31 3jrn h ALA 118 N 1.82 -0.53 -0.31 1.53 0.00 -1.31 0.11 119.26 120.58 3jrn h ALA 118 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3jrn h ALA 118 Cb 0.47 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3jrn h ALA 118 CO 0.02 -0.82 0.03 0.93 0.00 0.00 0.00 179.25 179.41 3jrn h GLU 119 N -0.54 0.46 -0.47 0.00 5.08 -1.76 -0.25 114.58 117.09 3jrn h GLU 119 Ca -0.01 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 3jrn h GLU 119 Cb 0.50 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3jrn h GLU 119 CO -0.05 0.46 -0.24 1.96 -1.00 0.00 0.00 179.01 180.15 3jrn h GLN 120 N 0.45 1.00 0.00 2.33 4.20 -1.43 -2.72 115.11 118.94 3jrn h GLN 120 Ca 0.10 -0.44 -0.10 0.00 0.06 0.00 0.00 58.65 58.27 3jrn h GLN 120 Cb 0.25 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3jrn h GLN 120 CO 0.00 1.12 -0.50 0.74 -0.67 0.00 0.00 178.83 179.52 3jrn h PHE 121 N 0.85 0.00 -0.62 2.96 0.04 -0.25 -2.23 116.94 117.69 3jrn h PHE 121 Ca 0.10 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 3jrn h PHE 121 Cb 0.82 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.95 3jrn h PHE 121 CO 0.05 0.50 0.18 -0.22 -0.60 0.00 0.00 178.31 178.22 3jrn h LYS 122 N 0.00 0.95 0.09 1.51 3.64 -0.87 0.93 116.57 122.82 3jrn h LYS 122 Ca -0.00 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3jrn h LYS 122 Cb 1.10 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3jrn h LYS 122 CO 0.06 0.83 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.81 3jrn h LYS 123 N 0.91 -0.12 -0.66 1.90 3.64 -1.22 -2.82 116.57 118.21 3jrn h LYS 123 Ca 0.20 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.66 3jrn h LYS 123 Cb 0.29 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 3jrn h LYS 123 CO -0.01 0.13 0.34 0.45 -2.27 0.00 0.00 179.45 178.09 3jrn h HIS 124 N -0.35 0.62 -0.29 1.91 3.86 -1.07 -2.19 115.15 117.63 3jrn h HIS 124 Ca -0.01 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.27 3jrn h HIS 124 Cb 0.30 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3jrn h HIS 124 CO 0.00 0.27 0.20 0.00 0.86 0.00 0.00 177.93 179.26 3jrn h ALA 125 N 1.37 2.04 -0.00 2.45 0.00 -0.72 -0.26 119.26 124.14 3jrn h ALA 125 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3jrn h ALA 125 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3jrn h ALA 125 CO -0.21 -0.10 -0.09 -1.13 0.00 0.00 0.00 179.25 177.71 3jrn n SER 126 N -4.48 0.36 0.00 0.00 3.41 -0.83 -4.21 113.62 107.87 3jrn n SER 126 Ca 0.03 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 3jrn n SER 126 Cb 0.23 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3jrn n SER 126 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3jrn n ARG 127 N -1.04 0.07 -4.27 4.33 1.85 -0.59 -5.11 116.66 111.90 3jrn n ARG 127 Ca 0.14 -0.46 -0.15 0.00 -1.00 0.00 0.00 57.85 56.38 3jrn n ARG 127 Cb 0.27 -0.51 -0.10 0.00 -1.05 0.00 0.00 32.46 31.06 3jrn n ARG 127 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3jrn s GLU 128 N -0.02 1.19 0.24 2.89 0.41 -0.21 -5.07 118.70 118.13 3jrn s GLU 128 Ca 0.00 -1.59 -0.31 0.00 -0.41 0.00 0.00 54.97 52.67 3jrn s GLU 128 Cb 0.00 -0.38 -0.11 0.00 -1.78 0.00 0.00 34.13 31.85 3jrn s GLU 128 CO 0.00 -0.12 1.63 0.34 -0.49 0.00 0.00 175.26 176.61 3jrn s ASP 129 N -3.22 6.42 0.36 -0.19 -1.08 -1.26 -4.82 116.67 112.88 3jrn s ASP 129 Ca 0.26 2.86 0.07 0.00 -0.52 0.00 0.00 52.55 55.22 3jrn s ASP 129 Cb 0.06 -2.62 0.76 0.00 -1.46 0.00 0.00 42.92 39.66 3jrn s ASP 129 CO 0.06 -0.91 1.94 -0.65 0.52 0.00 0.00 175.17 176.13 3jrn h PRO 130 N 5.78 0.72 -0.06 4.34 0.11 -1.95 -1.08 132.00 139.85 3jrn h PRO 130 Ca -0.45 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 3jrn h PRO 130 Cb 1.21 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3jrn h PRO 130 CO 0.86 0.47 -0.62 1.49 -0.21 0.00 0.00 178.00 180.00 3jrn h GLU 131 N 0.74 0.22 -0.43 1.05 4.81 -1.99 -1.88 114.58 117.10 3jrn h GLU 131 Ca 0.35 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 3jrn h GLU 131 Cb 0.38 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3jrn h GLU 131 CO -0.13 0.77 -0.17 -0.22 -0.73 0.00 0.00 179.01 178.53 3jrn h LYS 132 N 0.16 0.87 -0.91 1.92 1.63 -1.67 -0.96 116.57 117.62 3jrn h LYS 132 Ca -0.01 -0.37 0.01 0.00 -0.85 0.00 0.00 60.65 59.43 3jrn h LYS 132 Cb 1.12 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.68 3jrn h LYS 132 CO 0.09 1.01 0.60 0.28 -3.45 0.00 0.00 179.45 177.98 3jrn h VAL 133 N 0.70 1.24 -0.27 2.00 2.07 -1.02 -0.76 116.25 120.20 3jrn h VAL 133 Ca 0.10 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 3jrn h VAL 133 Cb 0.73 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3jrn h VAL 133 CO 0.06 0.23 -0.13 -0.07 0.02 0.00 0.00 177.57 177.67 3jrn h LEU 134 N 1.23 0.44 -0.57 2.57 3.38 -1.08 -1.23 115.31 120.06 3jrn h LEU 134 Ca 0.33 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 3jrn h LEU 134 Cb -0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3jrn h LEU 134 CO -0.07 0.60 0.12 0.50 0.09 0.00 0.00 178.44 179.67 3jrn h LYS 135 N 0.42 0.92 -0.34 1.13 1.63 0.04 -0.88 116.57 119.50 3jrn h LYS 135 Ca 0.08 -0.24 -0.01 0.00 -0.85 0.00 0.00 60.65 59.63 3jrn h LYS 135 Cb 0.48 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 3jrn h LYS 135 CO 0.03 0.87 0.18 -1.49 -3.45 0.00 0.00 179.45 175.59 3jrn h TRP 136 N 0.82 0.47 -0.91 1.91 6.55 -0.62 -2.39 115.95 121.79 3jrn h TRP 136 Ca 0.18 -0.02 0.03 0.00 0.95 0.00 0.00 58.89 60.03 3jrn h TRP 136 Cb 0.38 -0.15 -0.05 0.00 -0.86 0.00 0.00 29.16 28.48 3jrn h TRP 136 CO 0.03 0.39 0.60 0.00 -1.05 0.00 0.00 178.44 178.40 3jrn h ARG 137 N 0.42 1.12 -0.53 0.49 3.08 -1.00 -1.93 114.38 116.02 3jrn h ARG 137 Ca 0.12 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3jrn h ARG 137 Cb 0.08 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3jrn h ARG 137 CO -0.02 0.74 0.28 0.37 -1.07 0.00 0.00 179.97 180.27 3jrn h GLN 138 N 1.15 0.74 -0.37 0.04 4.15 -0.85 -0.10 115.11 119.88 3jrn h GLN 138 Ca 0.36 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 3jrn h GLN 138 Cb -0.01 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 3jrn h GLN 138 CO -0.10 0.58 0.14 0.00 -1.93 0.00 0.00 178.83 177.51 3jrn h ALA 139 N 1.12 0.48 -0.43 3.38 0.00 -0.94 -0.91 119.26 121.95 3jrn h ALA 139 Ca 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3jrn h ALA 139 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3jrn h ALA 139 CO -0.03 0.10 0.19 -0.07 0.00 0.00 0.00 179.25 179.45 3jrn h LEU 140 N 0.45 0.58 -0.40 0.00 3.38 -1.18 0.17 115.31 118.32 3jrn h LEU 140 Ca 0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3jrn h LEU 140 Cb 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3jrn h LEU 140 CO -0.01 0.57 0.25 0.74 0.09 0.00 0.00 178.44 180.08 3jrn h THR 141 N 0.56 1.12 -0.47 0.22 2.02 -0.88 0.01 112.91 115.49 3jrn h THR 141 Ca 0.15 -0.28 -0.13 0.00 0.77 0.00 0.00 66.41 66.92 3jrn h THR 141 Cb 0.15 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3jrn h THR 141 CO -0.02 0.12 -0.20 0.78 0.37 0.00 0.00 175.52 176.58 3jrn h ASN 142 N 0.53 0.98 -0.29 4.18 2.35 -0.98 -3.10 115.58 119.25 3jrn h ASN 142 Ca 0.14 -0.36 0.01 0.00 -0.55 0.00 0.00 56.30 55.54 3jrn h ASN 142 Cb -0.01 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 3jrn h ASN 142 CO -0.03 1.14 0.17 0.15 -1.65 0.00 0.00 177.43 177.22 3jrn h PHE 143 N 0.83 0.33 0.00 1.19 3.57 -0.36 -2.24 116.94 120.26 3jrn h PHE 143 Ca 0.11 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3jrn h PHE 143 Cb 0.77 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.40 3jrn h PHE 143 CO 0.05 0.20 0.00 0.00 -2.23 0.00 0.00 178.31 176.33 3jrn n ALA 144 N -2.19 1.50 0.99 2.41 0.00 -0.04 -1.84 120.51 121.33 3jrn n ALA 144 Ca -0.01 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.51 3jrn n ALA 144 Cb 0.04 -1.14 0.06 0.00 0.00 0.00 0.00 19.45 18.41 3jrn n ALA 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3jrn n GLN 145 N -1.36 1.86 -3.03 0.00 6.02 -0.84 -4.93 117.38 115.10 3jrn n GLN 145 Ca 0.03 -1.54 -0.32 0.00 -0.01 0.00 0.00 57.00 55.16 3jrn n GLN 145 Cb 0.08 -1.46 -0.06 0.00 1.02 0.00 0.00 30.24 29.82 3jrn n GLN 145 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3jrn s LEU 146 N -2.17 4.01 0.08 1.08 1.43 -0.77 -5.00 118.68 117.34 3jrn s LEU 146 Ca 0.24 1.36 -0.31 0.00 -1.03 0.00 0.00 54.13 54.39 3jrn s LEU 146 Cb 0.19 -4.19 -0.08 0.00 0.03 0.00 0.00 46.19 42.14 3jrn s LEU 146 CO 0.40 -0.26 1.55 -0.44 0.23 0.00 0.00 176.35 177.83 3jrn s SER 147 N -2.34 6.68 0.00 2.29 0.01 -1.26 -4.87 113.70 114.21 3jrn s SER 147 Ca 0.56 2.41 0.00 0.00 1.31 0.00 0.00 55.95 60.22 3jrn s SER 147 Cb -0.10 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.56 3jrn s SER 147 CO 0.18 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.63 3jrn n GLY 148 N 3.81 4.32 3.13 3.44 0.00 -1.26 -4.26 105.19 114.36 3jrn n GLY 148 Ca 0.14 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.77 3jrn n GLY 148 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jrn s ASP 149 N 0.99 1.31 0.08 1.61 1.11 -0.38 -4.99 116.67 116.39 3jrn s ASP 149 Ca 0.00 -0.62 0.07 0.00 0.18 0.00 0.00 52.55 52.18 3jrn s ASP 149 Cb 0.00 -0.01 -0.04 0.00 1.07 0.00 0.00 42.92 43.95 3jrn s ASP 149 CO 0.00 -0.16 -0.14 0.00 1.18 0.00 0.00 175.17 176.05 3jrn s SER 151 N -1.87 6.79 0.00 0.00 1.04 0.13 -4.91 113.70 114.88 3jrn s SER 151 Ca 0.18 2.65 0.00 0.00 0.48 0.00 0.00 55.95 59.26 3jrn s SER 151 Cb -0.11 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.37 3jrn s SER 151 CO 0.09 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.41 3jrn n GLY 152 N 0.82 3.89 0.22 7.32 0.00 -1.26 -4.82 105.19 111.36 3jrn n GLY 152 Ca 0.00 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.65 3jrn n GLY 152 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3jrn n ASP 153 N 0.00 0.82 -3.25 1.61 9.92 -1.26 -4.75 116.55 119.64 3jrn n ASP 153 Ca 0.00 -0.86 -0.04 0.00 -0.53 0.00 0.00 54.79 53.36 3jrn n ASP 153 Cb 0.00 0.02 -0.04 0.00 -0.64 0.00 0.00 41.12 40.46 3jrn n ASP 153 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3jrn s ASP 154 N -2.38 -0.45 0.35 -2.24 -1.08 -1.26 -5.01 116.67 104.59 3jrn s ASP 154 Ca 0.30 0.19 0.06 0.00 -0.52 0.00 0.00 52.55 52.58 3jrn s ASP 154 Cb 0.20 1.53 0.64 0.00 -1.46 0.00 0.00 42.92 43.83 3jrn s ASP 154 CO 0.46 -0.31 1.87 0.44 0.52 0.00 0.00 175.17 178.15 3jrn h ASP 155 N 8.10 0.40 -0.65 -0.34 5.19 -2.00 -2.48 116.42 124.64 3jrn h ASP 155 Ca -0.14 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.18 3jrn h ASP 155 Cb 1.15 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 40.53 3jrn h ASP 155 CO 0.24 0.52 0.36 0.77 -3.12 0.00 0.00 179.24 178.02 3jrn h SER 156 N 0.40 0.82 -0.18 6.45 4.64 -1.99 0.17 113.55 123.85 3jrn h SER 156 Ca 0.08 -0.06 -0.19 0.00 -0.47 0.00 0.00 61.79 61.15 3jrn h SER 156 Cb 0.39 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3jrn h SER 156 CO 0.02 0.66 -0.58 0.11 -0.87 0.00 0.00 176.83 176.17 3jrn h LYS 157 N 0.93 0.79 -0.66 4.77 1.57 -1.90 -1.96 116.57 120.11 3jrn h LYS 157 Ca 0.24 -0.52 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 3jrn h LYS 157 Cb 0.03 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3jrn h LYS 157 CO -0.04 1.14 0.29 1.25 -0.57 0.00 0.00 179.45 181.53 3jrn h LEU 158 N 0.59 0.88 -0.64 2.94 5.85 -0.91 -1.03 115.31 122.99 3jrn h LEU 158 Ca 0.00 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 3jrn h LEU 158 Cb 1.18 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 3jrn h LEU 158 CO 0.12 0.79 0.22 0.58 -0.34 0.00 0.00 178.44 179.82 3jrn h VAL 159 N 0.92 1.24 -0.39 1.05 2.07 -0.61 -1.75 116.25 118.78 3jrn h VAL 159 Ca 0.22 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3jrn h VAL 159 Cb 0.16 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3jrn h VAL 159 CO -0.02 0.31 0.15 0.44 0.02 0.00 0.00 177.57 178.47 3jrn h ASP 160 N 0.91 0.54 -0.51 0.57 3.32 -1.02 -1.69 116.42 118.55 3jrn h ASP 160 Ca 0.21 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.10 3jrn h ASP 160 Cb 0.26 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3jrn h ASP 160 CO -0.01 0.56 0.32 0.50 -1.72 0.00 0.00 179.24 178.89 3jrn h LYS 161 N 0.49 0.64 -0.12 3.56 3.64 -0.98 0.16 116.57 123.95 3jrn h LYS 161 Ca 0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3jrn h LYS 161 Cb 0.19 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3jrn h LYS 161 CO -0.01 0.42 0.08 0.82 -2.27 0.00 0.00 179.45 178.49 3jrn h ILE 162 N 0.66 1.03 -0.39 2.00 1.08 -1.16 0.31 117.51 121.04 3jrn h ILE 162 Ca 0.19 -0.06 -0.02 0.00 -0.39 0.00 0.00 64.86 64.58 3jrn h ILE 162 Cb -0.05 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 3jrn h ILE 162 CO -0.06 0.03 0.16 0.00 -0.69 0.00 0.00 178.15 177.59 3jrn h ALA 163 N 1.04 0.51 -0.43 1.87 0.00 -1.09 -1.38 119.26 119.78 3jrn h ALA 163 Ca 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3jrn h ALA 163 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3jrn h ALA 163 CO -0.01 0.12 0.25 -0.91 0.00 0.00 0.00 179.25 178.70 3jrn h ASN 164 N 0.49 0.52 -0.22 0.00 -0.26 -0.45 0.25 115.58 115.92 3jrn h ASN 164 Ca 0.13 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 3jrn h ASN 164 Cb 0.19 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 3jrn h ASN 164 CO -0.01 0.43 0.14 -0.08 -1.06 0.00 0.00 177.43 176.85 3jrn h GLU 165 N 0.57 0.29 -0.46 0.81 4.81 -0.21 -0.05 114.58 120.34 3jrn h GLU 165 Ca 0.15 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 3jrn h GLU 165 Cb 0.01 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3jrn h GLU 165 CO -0.03 0.22 -0.26 0.82 -0.73 0.00 0.00 179.01 179.03 3jrn h ILE 166 N 0.28 1.27 -0.94 2.32 2.04 -1.11 -2.27 117.51 119.11 3jrn h ILE 166 Ca 0.08 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.52 3jrn h ILE 166 Cb -0.00 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 3jrn h ILE 166 CO -0.02 0.49 0.62 -1.28 0.00 0.00 0.00 178.15 177.97 3jrn h SER 167 N 0.83 1.08 -0.06 1.72 0.87 -0.23 0.13 113.55 117.89 3jrn h SER 167 Ca 0.10 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3jrn h SER 167 Cb 0.84 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 3jrn h SER 167 CO 0.07 0.78 0.00 0.59 -0.53 0.00 0.00 176.83 177.74 3jrn n ASN 168 N -4.43 0.98 -0.00 6.23 5.03 -0.06 -3.88 115.26 119.13 3jrn n ASN 168 Ca 0.11 -1.46 0.03 0.00 0.87 0.00 0.00 54.58 54.12 3jrn n ASN 168 Cb 0.01 -0.03 -0.04 0.00 -1.02 0.00 0.00 39.78 38.70 3jrn n ASN 168 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 3jrn n LYS 169 N -0.18 1.99 -2.85 3.52 4.81 -0.13 -5.03 118.16 120.30 3jrn n LYS 169 Ca 0.18 -0.03 -0.36 0.00 -0.87 0.00 0.00 58.31 57.22 3jrn n LYS 169 Cb 0.24 -1.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.23 3jrn n LYS 169 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3jrn s LYS 170 N -2.09 4.46 0.00 1.64 -2.85 0.27 -5.04 119.74 116.13 3jrn s LYS 170 Ca -0.01 1.21 0.11 0.00 -1.00 0.00 0.00 55.97 56.28 3jrn s LYS 170 Cb 0.04 -2.70 0.64 0.00 -2.06 0.00 0.00 37.83 33.75 3jrn s LYS 170 CO 0.24 0.24 1.08 -2.37 0.10 0.00 0.00 175.35 174.65