#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qty s VAL 14 N 0.00 0.08 -0.17 6.31 1.01 -1.26 -5.13 120.40 121.24 1qty s VAL 14 Ca 0.00 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 1qty s VAL 14 Cb 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 1qty s VAL 14 CO 0.00 -0.37 0.89 -0.69 0.00 0.00 0.00 175.10 174.92 1qty s VAL 15 N -2.52 4.84 0.38 2.92 1.01 -1.26 -5.00 120.40 120.77 1qty s VAL 15 Ca -0.05 1.75 -0.28 0.00 0.00 0.00 0.00 61.98 63.40 1qty s VAL 15 Cb -0.01 -4.19 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 1qty s VAL 15 CO -0.03 -0.00 1.46 -0.54 0.00 0.00 0.00 175.10 175.98 1qty s LYS 16 N 2.26 4.09 0.24 2.72 1.02 -1.26 -4.76 119.74 124.05 1qty s LYS 16 Ca 0.41 2.51 -0.08 0.00 0.02 0.00 0.00 55.97 58.82 1qty s LYS 16 Cb -0.17 -2.94 0.39 0.00 -0.52 0.00 0.00 37.83 34.59 1qty s LYS 16 CO 0.13 -0.52 1.64 0.35 -0.92 0.00 0.00 175.35 176.02 1qty h PHE 17 N 2.97 -0.08 -0.45 3.18 3.57 -1.98 0.09 116.94 124.24 1qty h PHE 17 Ca -0.51 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.13 1qty h PHE 17 Cb 1.24 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 40.05 1qty h PHE 17 CO 0.53 -0.23 0.01 0.52 -2.23 0.00 0.00 178.31 176.91 1qty h MET 18 N 0.10 0.11 0.35 1.11 2.86 -1.99 0.34 114.93 117.82 1qty h MET 18 Ca 0.38 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 58.00 1qty h MET 18 Cb 0.66 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1qty h MET 18 CO -0.64 0.08 -0.17 -0.44 1.06 0.00 0.00 176.91 176.80 1qty h ASP 19 N 0.12 -0.40 -0.81 1.22 3.32 -1.51 0.39 116.42 118.75 1qty h ASP 19 Ca 0.23 -0.07 0.18 0.00 0.02 0.00 0.00 57.03 57.39 1qty h ASP 19 Cb 0.33 0.10 -0.11 0.00 0.22 0.00 0.00 39.33 39.87 1qty h ASP 19 CO -0.37 -0.18 0.30 0.58 -1.72 0.00 0.00 179.24 177.85 1qty h VAL 20 N -0.61 0.53 0.66 -1.35 2.07 -0.64 -0.48 116.25 116.43 1qty h VAL 20 Ca -0.05 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1qty h VAL 20 Cb 0.45 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1qty h VAL 20 CO 0.08 0.07 -0.32 0.22 0.02 0.00 0.00 177.57 177.64 1qty h TYR 21 N 0.37 -0.82 -0.47 1.57 5.03 0.06 -1.99 116.97 120.72 1qty h TYR 21 Ca 0.48 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.75 1qty h TYR 21 Cb 0.84 0.27 -0.02 0.00 1.55 0.00 0.00 36.73 39.37 1qty h TYR 21 CO -0.19 -0.48 0.21 1.96 -1.32 0.00 0.00 178.16 178.34 1qty h GLN 22 N -1.14 0.66 -0.01 1.82 4.20 -0.73 -1.42 115.11 118.49 1qty h GLN 22 Ca -0.09 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.40 1qty h GLN 22 Cb 0.72 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1qty h GLN 22 CO 0.15 0.53 -0.63 0.00 -0.67 0.00 0.00 178.83 178.21 1qty h ARG 23 N 0.66 0.04 0.00 1.46 3.08 -1.13 -3.23 114.38 115.26 1qty h ARG 23 Ca 0.16 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1qty h ARG 23 Cb 0.10 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1qty h ARG 23 CO -0.02 0.65 -1.01 -1.13 -1.07 0.00 0.00 179.97 177.39 1qty n SER 24 N -3.81 0.72 -4.76 7.04 3.41 -0.75 -4.95 113.62 110.52 1qty n SER 24 Ca -0.01 0.18 -0.41 0.00 -0.26 0.00 0.00 58.87 58.36 1qty n SER 24 Cb 0.62 0.57 -0.01 0.00 -0.26 0.00 0.00 64.21 65.13 1qty n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1qty s TYR 25 N -3.31 2.68 -0.29 7.33 5.04 -0.56 -1.55 117.35 126.68 1qty s TYR 25 Ca 0.01 0.95 -0.27 0.00 -2.44 0.00 0.00 57.07 55.32 1qty s TYR 25 Cb 0.11 -4.05 -0.12 0.00 0.35 0.00 0.00 41.96 38.26 1qty s TYR 25 CO 0.79 -3.34 1.03 0.00 -1.34 0.00 0.00 175.55 172.69 1qty s HIS 27 N 2.27 -0.07 -0.39 0.00 -3.43 -0.53 -4.84 115.29 108.31 1qty s HIS 27 Ca 0.64 -0.32 -0.28 0.00 -0.80 0.00 0.00 55.06 54.31 1qty s HIS 27 Cb -0.88 0.68 0.02 0.00 -1.43 0.00 0.00 32.58 30.97 1qty s HIS 27 CO 0.45 -0.97 1.03 -1.25 -2.00 0.00 0.00 174.74 172.00 1qty s PRO 28 N -3.00 3.85 0.08 -0.38 0.05 -1.26 -1.18 135.00 133.16 1qty s PRO 28 Ca 0.15 0.69 0.09 0.00 0.05 0.00 0.00 61.00 61.98 1qty s PRO 28 Cb -0.02 -3.82 -0.04 0.00 0.05 0.00 0.00 34.50 30.67 1qty s PRO 28 CO 0.04 -1.07 -0.23 -1.50 0.05 0.00 0.00 177.00 174.29 1qty s ILE 29 N 3.81 2.44 0.09 0.56 2.07 0.44 -4.82 121.20 125.80 1qty s ILE 29 Ca 0.43 -1.49 -0.31 0.00 -1.41 0.00 0.00 60.65 57.87 1qty s ILE 29 Cb -0.11 -2.04 -0.10 0.00 0.13 0.00 0.00 42.46 40.35 1qty s ILE 29 CO 0.22 0.22 1.90 -0.70 -1.91 0.00 0.00 174.94 174.67 1qty s GLU 30 N -1.71 4.13 0.06 3.50 2.12 -1.26 -1.78 118.70 123.76 1qty s GLU 30 Ca 0.14 2.62 0.09 0.00 0.36 0.00 0.00 54.97 58.19 1qty s GLU 30 Cb -0.10 -3.82 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 1qty s GLU 30 CO 0.05 -0.90 -0.26 0.99 -0.54 0.00 0.00 175.26 174.61 1qty s THR 31 N 3.44 2.08 -0.44 -1.70 2.01 0.14 -4.91 115.64 116.25 1qty s THR 31 Ca 0.84 -1.41 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 1qty s THR 31 Cb -0.45 -1.79 0.05 0.00 0.01 0.00 0.00 72.50 70.32 1qty s THR 31 CO 0.39 0.30 0.34 -0.76 -0.69 0.00 0.00 174.62 174.20 1qty s LEU 32 N -1.35 5.36 -0.16 4.42 1.43 -1.26 -0.58 118.68 126.53 1qty s LEU 32 Ca 0.11 -1.16 -0.08 0.00 -1.03 0.00 0.00 54.13 51.97 1qty s LEU 32 Cb -0.10 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1qty s LEU 32 CO 0.03 -0.55 0.12 -0.69 0.23 0.00 0.00 176.35 175.48 1qty s VAL 33 N 1.64 5.33 -0.04 -1.59 1.01 0.78 -4.87 120.40 122.66 1qty s VAL 33 Ca 0.04 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 1qty s VAL 33 Cb -0.22 -3.38 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 1qty s VAL 33 CO 0.08 0.52 1.69 -0.62 0.00 0.00 0.00 175.10 176.76 1qty s ASP 34 N -0.21 6.65 0.58 3.32 2.15 -1.26 0.33 116.67 128.23 1qty s ASP 34 Ca 0.10 2.28 0.30 0.00 0.43 0.00 0.00 52.55 55.66 1qty s ASP 34 Cb -0.12 -2.53 1.44 0.00 -0.30 0.00 0.00 42.92 41.41 1qty s ASP 34 CO 0.01 -0.94 1.84 0.40 -0.17 0.00 0.00 175.17 176.31 1qty h ILE 35 N 5.58 0.38 0.04 4.11 2.04 -0.19 -2.34 117.51 127.13 1qty h ILE 35 Ca -0.40 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1qty h ILE 35 Cb 1.18 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1qty h ILE 35 CO 0.95 0.00 -0.02 -0.26 0.00 0.00 0.00 178.15 178.82 1qty h PHE 36 N 0.00 -0.05 0.00 1.37 -1.00 -1.87 -2.96 116.94 112.42 1qty h PHE 36 Ca 0.31 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.09 1qty h PHE 36 Cb 1.51 0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.09 1qty h PHE 36 CO 0.00 0.43 0.08 0.00 -1.61 0.00 0.00 178.31 177.21 1qty n GLN 37 N -4.88 0.06 -0.00 1.51 10.64 -0.88 -1.31 117.38 122.51 1qty n GLN 37 Ca -0.09 0.52 0.08 0.00 -1.83 0.00 0.00 57.00 55.68 1qty n GLN 37 Cb 0.26 -1.77 -0.11 0.00 -0.86 0.00 0.00 30.24 27.76 1qty n GLN 37 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1qty n GLU 38 N -1.79 1.17 -2.94 2.61 -0.58 -1.15 -4.62 120.64 113.34 1qty n GLU 38 Ca -0.01 -0.06 -0.13 0.00 -0.42 0.00 0.00 57.16 56.54 1qty n GLU 38 Cb 0.10 -1.32 0.03 0.00 -0.57 0.00 0.00 31.44 29.68 1qty n GLU 38 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1qty n TYR 39 N -1.65 -1.47 0.33 -0.32 0.53 -0.73 -4.99 117.16 108.86 1qty n TYR 39 Ca 0.01 -2.91 0.00 0.00 -1.02 0.00 0.00 57.90 53.98 1qty n TYR 39 Cb 0.33 0.69 0.00 0.00 -1.03 0.00 0.00 39.34 39.33 1qty n TYR 39 CO 0.00 0.00 0.00 -0.35 -1.02 0.00 0.00 176.86 175.49 1qty n PRO 40 N 0.33 0.33 -0.09 -0.72 -0.04 -0.43 -2.88 135.00 131.50 1qty n PRO 40 Ca 0.15 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.48 1qty n PRO 40 Cb 0.68 -1.24 -0.09 0.00 -0.04 0.00 0.00 33.50 32.81 1qty n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qty n ASP 41 N 0.56 2.51 -3.42 3.54 9.92 -1.26 -4.68 116.55 123.72 1qty n ASP 41 Ca 0.00 -0.10 -0.40 0.00 -0.53 0.00 0.00 54.79 53.76 1qty n ASP 41 Cb 0.12 -0.26 -0.02 0.00 -0.64 0.00 0.00 41.12 40.32 1qty n ASP 41 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1qty n GLU 42 N -3.03 4.03 -0.03 -1.24 1.02 -1.14 -4.55 120.64 115.70 1qty n GLU 42 Ca -0.33 -2.80 0.10 0.00 -0.02 0.00 0.00 57.16 54.12 1qty n GLU 42 Cb 0.86 -2.76 0.51 0.00 -0.02 0.00 0.00 31.44 30.03 1qty n GLU 42 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1qty n ILE 43 N 2.88 0.08 1.08 -3.67 2.08 -1.26 -2.61 119.36 117.94 1qty n ILE 43 Ca 0.69 -0.14 0.12 0.00 0.56 0.00 0.00 62.75 63.98 1qty n ILE 43 Cb 0.25 -0.02 0.20 0.00 -0.75 0.00 0.00 39.64 39.32 1qty n ILE 43 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1qty n GLU 44 N -0.35 0.44 -4.13 0.38 0.28 -1.26 -4.91 120.64 111.09 1qty n GLU 44 Ca 0.16 -0.29 -0.24 0.00 -0.16 0.00 0.00 57.16 56.62 1qty n GLU 44 Cb 0.18 -1.49 -0.05 0.00 1.43 0.00 0.00 31.44 31.50 1qty n GLU 44 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1qty s TYR 45 N -2.77 3.05 -0.17 -1.84 4.12 -1.07 -4.33 117.35 114.34 1qty s TYR 45 Ca 0.16 -0.09 0.01 0.00 0.02 0.00 0.00 57.07 57.16 1qty s TYR 45 Cb 0.18 -1.42 0.03 0.00 -1.52 0.00 0.00 41.96 39.23 1qty s TYR 45 CO 0.65 0.53 -0.13 0.42 0.02 0.00 0.00 175.55 177.04 1qty s ILE 46 N -1.97 1.65 0.30 2.71 -1.09 -0.84 -4.93 121.20 117.03 1qty s ILE 46 Ca 0.31 -0.82 -0.03 0.00 -2.23 0.00 0.00 60.65 57.88 1qty s ILE 46 Cb -0.09 -1.61 -0.05 0.00 -1.58 0.00 0.00 42.46 39.13 1qty s ILE 46 CO 0.23 0.34 0.54 -0.36 -1.23 0.00 0.00 174.94 174.46 1qty s PHE 47 N 1.43 3.49 -0.20 3.97 0.08 -1.26 0.10 117.98 125.58 1qty s PHE 47 Ca 0.02 0.54 -0.04 0.00 0.12 0.00 0.00 56.93 57.58 1qty s PHE 47 Cb -0.14 -2.03 0.10 0.00 -0.57 0.00 0.00 43.02 40.38 1qty s PHE 47 CO -0.10 0.17 0.27 0.15 -0.10 0.00 0.00 175.22 175.61 1qty s LYS 48 N -3.76 0.23 0.75 0.44 1.02 0.69 -3.55 119.74 115.56 1qty s LYS 48 Ca 0.42 0.37 -0.11 0.00 0.02 0.00 0.00 55.97 56.68 1qty s LYS 48 Cb -0.10 -0.84 0.04 0.00 -0.52 0.00 0.00 37.83 36.40 1qty s LYS 48 CO 0.32 -0.60 1.08 -1.25 -0.92 0.00 0.00 175.35 173.98 1qty s PRO 49 N 2.40 2.50 0.39 -1.68 0.04 -1.26 -1.50 135.00 135.89 1qty s PRO 49 Ca 0.08 0.81 0.19 0.00 0.04 0.00 0.00 61.00 62.12 1qty s PRO 49 Cb -0.15 -1.95 0.76 0.00 0.04 0.00 0.00 34.50 33.19 1qty s PRO 49 CO -0.13 -1.37 1.77 0.66 0.04 0.00 0.00 177.00 177.97 1qty h SER 50 N -0.91 0.00 -3.38 6.66 4.64 -1.96 -3.45 113.55 115.14 1qty h SER 50 Ca -0.45 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.44 1qty h SER 50 Cb 1.24 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.19 1qty h SER 50 CO 0.58 0.35 -0.72 0.00 -0.87 0.00 0.00 176.83 176.17 1qty s VAL 52 N -3.09 0.92 -0.31 0.00 -7.23 0.15 -4.85 120.40 105.99 1qty s VAL 52 Ca 0.23 -1.96 -0.20 0.00 -1.81 0.00 0.00 61.98 58.23 1qty s VAL 52 Cb 0.01 -1.72 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 1qty s VAL 52 CO 0.06 -0.79 0.61 -2.16 -0.31 0.00 0.00 175.10 172.51 1qty s PRO 53 N -3.70 3.85 0.06 4.82 0.04 -1.26 -0.15 135.00 138.65 1qty s PRO 53 Ca 0.13 0.21 0.04 0.00 0.04 0.00 0.00 61.00 61.42 1qty s PRO 53 Cb 0.03 -3.74 -0.03 0.00 0.04 0.00 0.00 34.50 30.80 1qty s PRO 53 CO -0.02 -0.59 -0.12 -0.51 0.04 0.00 0.00 177.00 175.81 1qty s LEU 54 N 2.58 2.27 -0.18 -3.56 1.43 0.25 -4.95 118.68 116.51 1qty s LEU 54 Ca 0.24 -0.59 -0.28 0.00 -1.03 0.00 0.00 54.13 52.47 1qty s LEU 54 Cb -0.15 -0.37 -0.00 0.00 0.03 0.00 0.00 46.19 45.70 1qty s LEU 54 CO 0.12 -0.13 0.99 -0.04 0.23 0.00 0.00 176.35 177.53 1qty s MET 55 N -1.67 4.31 0.10 1.70 -1.94 -1.26 0.27 119.30 120.81 1qty s MET 55 Ca -0.05 1.31 0.03 0.00 -1.71 0.00 0.00 55.69 55.26 1qty s MET 55 Cb -0.10 -3.60 -0.04 0.00 2.01 0.00 0.00 34.83 33.10 1qty s MET 55 CO 0.01 -0.49 -0.09 1.03 -0.01 0.00 0.00 175.02 175.48 1qty s ARG 56 N 2.69 0.85 0.32 2.03 1.81 -0.73 -0.92 118.95 125.00 1qty s ARG 56 Ca 0.44 -1.23 -0.29 0.00 -1.72 0.00 0.00 55.73 52.94 1qty s ARG 56 Cb -0.16 -0.44 -0.10 0.00 -0.45 0.00 0.00 34.95 33.80 1qty s ARG 56 CO 0.11 0.05 1.33 0.00 -0.68 0.00 0.00 175.30 176.11 1qty s GLY 58 N -0.31 -0.31 0.00 0.00 0.00 -0.33 -4.83 107.32 101.54 1qty s GLY 58 Ca 0.51 0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.27 1qty s GLY 58 CO 0.51 0.02 0.00 0.61 0.00 0.00 0.00 173.10 174.24 1qty n GLY 59 N -0.42 0.96 3.85 0.20 0.00 -1.26 -1.45 105.19 107.07 1qty n GLY 59 Ca -0.09 -2.14 -0.22 0.00 0.00 0.00 0.00 46.02 43.56 1qty n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qty n ASN 62 N -2.00 -4.61 -3.16 0.00 3.02 -1.26 -4.97 115.26 102.28 1qty n ASN 62 Ca -0.03 0.04 0.03 0.00 -0.03 0.00 0.00 54.58 54.60 1qty n ASN 62 Cb 0.39 -3.71 -0.01 0.00 -0.61 0.00 0.00 39.78 35.85 1qty n ASN 62 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qty s ASP 63 N -2.38 -1.50 0.59 6.41 -1.08 -1.26 -5.04 116.67 112.41 1qty s ASP 63 Ca 0.00 0.36 0.19 0.00 -0.52 0.00 0.00 52.55 52.57 1qty s ASP 63 Cb 0.00 2.04 0.64 0.00 -1.46 0.00 0.00 42.92 44.14 1qty s ASP 63 CO 0.00 -0.29 1.15 -0.62 0.52 0.00 0.00 175.17 175.93 1qty n GLU 64 N 5.42 0.02 0.16 4.34 -0.58 -1.26 0.96 120.64 129.70 1qty n GLU 64 Ca 0.03 0.95 0.04 0.00 -0.42 0.00 0.00 57.16 57.77 1qty n GLU 64 Cb 0.53 -2.41 0.16 0.00 -0.57 0.00 0.00 31.44 29.15 1qty n GLU 64 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1qty h GLY 65 N 0.00 0.00 -4.25 0.62 0.00 -1.96 -3.46 103.07 94.03 1qty h GLY 65 Ca 0.35 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.12 1qty h GLY 65 CO -0.00 0.00 -0.47 1.08 0.00 0.00 0.00 176.54 177.15 1qty s LEU 66 N -6.64 4.34 -0.01 3.11 1.43 0.27 -0.61 118.68 120.57 1qty s LEU 66 Ca 0.03 0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1qty s LEU 66 Cb 0.09 -2.93 0.01 0.00 0.03 0.00 0.00 46.19 43.38 1qty s LEU 66 CO 0.71 0.08 0.01 -1.83 0.23 0.00 0.00 176.35 175.55 1qty s GLU 67 N -3.07 -0.01 -0.35 1.70 -1.05 0.39 -4.78 118.70 111.52 1qty s GLU 67 Ca 0.35 0.07 -0.29 0.00 -0.15 0.00 0.00 54.97 54.94 1qty s GLU 67 Cb -0.11 -0.08 0.01 0.00 -0.44 0.00 0.00 34.13 33.51 1qty s GLU 67 CO 0.28 -0.05 1.25 0.00 0.95 0.00 0.00 175.26 177.69 1qty s VAL 69 N 4.44 0.99 0.06 0.00 -7.23 -0.16 -4.85 120.40 113.66 1qty s VAL 69 Ca 0.54 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.37 1qty s VAL 69 Cb -0.14 -2.12 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 1qty s VAL 69 CO 0.25 -0.51 1.15 -2.16 -0.31 0.00 0.00 175.10 173.52 1qty s PRO 70 N -3.84 4.47 0.00 4.82 0.04 -1.26 -0.04 135.00 139.19 1qty s PRO 70 Ca 0.23 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.03 1qty s PRO 70 Cb 0.05 -3.36 0.13 0.00 0.04 0.00 0.00 34.50 31.35 1qty s PRO 70 CO 0.05 -0.19 1.02 0.25 0.04 0.00 0.00 177.00 178.17 1qty n THR 71 N 3.78 0.77 -3.64 1.26 -2.24 0.27 -4.93 114.28 109.55 1qty n THR 71 Ca 0.08 -0.88 -0.06 0.00 -2.27 0.00 0.00 64.05 60.91 1qty n THR 71 Cb 0.47 0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 69.27 1qty n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1qty s GLU 72 N -0.87 0.52 0.20 -0.78 2.12 -1.18 -4.88 118.70 113.82 1qty s GLU 72 Ca 0.10 0.77 0.03 0.00 0.36 0.00 0.00 54.97 56.23 1qty s GLU 72 Cb 0.06 0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.60 1qty s GLU 72 CO 0.08 -0.09 0.10 0.39 -0.54 0.00 0.00 175.26 175.20 1qty n GLU 73 N 3.27 0.53 -3.57 4.30 1.02 -1.26 -0.22 120.64 124.70 1qty n GLU 73 Ca -0.17 -1.77 0.03 0.00 -0.02 0.00 0.00 57.16 55.24 1qty n GLU 73 Cb 0.57 1.15 -0.00 0.00 -0.02 0.00 0.00 31.44 33.14 1qty n GLU 73 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1qty s SER 74 N -2.26 -0.01 0.19 1.62 1.04 -0.86 -4.78 113.70 108.63 1qty s SER 74 Ca 0.15 -0.02 0.09 0.00 0.48 0.00 0.00 55.95 56.65 1qty s SER 74 Cb 0.01 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 1qty s SER 74 CO 0.10 -0.05 -0.09 0.20 0.98 0.00 0.00 173.24 174.38 1qty s ASN 75 N -2.91 4.23 -0.02 7.02 0.01 -1.26 -0.46 114.94 121.55 1qty s ASN 75 Ca 0.15 -0.61 0.01 0.00 -0.71 0.00 0.00 52.86 51.70 1qty s ASN 75 Cb 0.07 -0.70 0.01 0.00 0.41 0.00 0.00 41.25 41.03 1qty s ASN 75 CO -0.06 0.09 -0.05 -0.51 -1.51 0.00 0.00 177.10 175.07 1qty s ILE 76 N -1.79 0.45 -0.16 0.60 2.07 0.13 -4.91 121.20 117.60 1qty s ILE 76 Ca 0.25 -0.15 -0.04 0.00 -1.41 0.00 0.00 60.65 59.30 1qty s ILE 76 Cb -0.08 -0.44 -0.03 0.00 0.13 0.00 0.00 42.46 42.04 1qty s ILE 76 CO 0.15 0.17 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.43 1qty s THR 77 N 0.43 3.96 0.09 4.00 2.01 -1.25 0.13 115.64 125.01 1qty s THR 77 Ca -0.05 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 61.70 1qty s THR 77 Cb -0.09 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 1qty s THR 77 CO -0.00 0.49 -0.21 -0.04 -0.69 0.00 0.00 174.62 174.17 1qty s MET 78 N 0.36 1.20 -0.51 4.92 1.00 0.26 -4.90 119.30 121.64 1qty s MET 78 Ca -0.04 -1.11 -0.29 0.00 0.00 0.00 0.00 55.69 54.26 1qty s MET 78 Cb -0.14 -1.44 0.02 0.00 0.00 0.00 0.00 34.83 33.28 1qty s MET 78 CO 0.03 0.34 1.25 -0.65 0.00 0.00 0.00 175.02 175.99 1qty s GLN 79 N -1.72 3.56 -0.00 2.03 -0.21 -1.26 -0.75 119.66 121.31 1qty s GLN 79 Ca 0.07 0.52 0.04 0.00 0.02 0.00 0.00 55.36 56.01 1qty s GLN 79 Cb -0.10 -4.00 -0.03 0.00 1.00 0.00 0.00 33.01 29.88 1qty s GLN 79 CO 0.04 -1.60 -0.12 0.42 -2.12 0.00 0.00 175.29 171.91 1qty s ILE 80 N 5.06 3.27 -0.21 1.08 -1.09 -0.29 -4.89 121.20 124.14 1qty s ILE 80 Ca 0.50 -0.87 -0.11 0.00 -2.23 0.00 0.00 60.65 57.94 1qty s ILE 80 Cb -0.09 -2.38 -0.05 0.00 -1.58 0.00 0.00 42.46 38.36 1qty s ILE 80 CO 0.29 0.43 0.18 -0.32 -1.23 0.00 0.00 174.94 174.29 1qty s MET 81 N -1.25 4.15 -0.17 2.79 -2.45 -0.56 -0.99 119.30 120.83 1qty s MET 81 Ca 0.15 -0.17 -0.03 0.00 -1.25 0.00 0.00 55.69 54.40 1qty s MET 81 Cb -0.11 -3.47 -0.02 0.00 1.25 0.00 0.00 34.83 32.48 1qty s MET 81 CO 0.05 0.18 -0.07 1.03 1.05 0.00 0.00 175.02 177.26 1qty s ARG 82 N 0.70 3.48 -0.31 4.11 3.00 -0.74 -0.22 118.95 128.97 1qty s ARG 82 Ca 0.10 -0.61 -0.02 0.00 0.00 0.00 0.00 55.73 55.19 1qty s ARG 82 Cb -0.12 -2.86 0.05 0.00 0.00 0.00 0.00 34.95 32.02 1qty s ARG 82 CO 0.02 0.08 0.03 0.42 0.00 0.00 0.00 175.30 175.85 1qty s ILE 83 N 0.74 3.12 -0.63 1.52 1.01 0.11 -2.06 121.20 125.02 1qty s ILE 83 Ca -0.03 -1.40 -0.26 0.00 0.00 0.00 0.00 60.65 58.97 1qty s ILE 83 Cb -0.15 -2.82 0.04 0.00 0.01 0.00 0.00 42.46 39.55 1qty s ILE 83 CO 0.02 -0.16 1.11 -0.75 0.00 0.00 0.00 174.94 175.16 1qty s LYS 84 N 1.27 3.29 -0.35 2.79 2.47 -1.19 -1.98 119.74 126.05 1qty s LYS 84 Ca -0.04 -0.24 -0.31 0.00 -1.56 0.00 0.00 55.97 53.82 1qty s LYS 84 Cb -0.20 -4.11 -0.13 0.00 -1.46 0.00 0.00 37.83 31.92 1qty s LYS 84 CO -0.01 -1.79 1.29 -2.30 0.16 0.00 0.00 175.35 172.71 1qty n PRO 85 N 8.30 0.00 -3.13 4.03 -0.02 -1.26 -0.39 135.00 142.53 1qty n PRO 85 Ca 0.03 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.37 1qty n PRO 85 Cb 0.48 -1.04 0.06 0.00 -0.02 0.00 0.00 33.50 32.98 1qty n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1qty n HIS 86 N 3.96 -1.77 -2.68 6.00 8.25 -1.26 -4.98 115.22 122.74 1qty n HIS 86 Ca 0.30 0.70 -0.04 0.00 -0.26 0.00 0.00 57.72 58.42 1qty n HIS 86 Cb -0.03 -4.09 0.04 0.00 1.12 0.00 0.00 29.99 27.03 1qty n HIS 86 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1qty n GLN 87 N -3.44 0.16 0.00 -0.41 7.27 0.48 -5.16 117.38 116.28 1qty n GLN 87 Ca -0.12 -0.90 0.00 0.00 0.07 0.00 0.00 57.00 56.04 1qty n GLN 87 Cb 0.59 -0.13 0.00 0.00 2.41 0.00 0.00 30.24 33.11 1qty n GLN 87 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1qty n GLY 88 N 2.37 0.15 3.52 1.69 0.00 -1.26 -3.92 105.19 107.74 1qty n GLY 88 Ca 0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 1qty n GLY 88 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qty s GLN 89 N 0.00 0.35 0.33 1.61 1.11 -1.26 -3.14 119.66 118.66 1qty s GLN 89 Ca 0.00 0.76 0.09 0.00 0.01 0.00 0.00 55.36 56.21 1qty s GLN 89 Cb 0.00 0.31 -0.06 0.00 -1.01 0.00 0.00 33.01 32.25 1qty s GLN 89 CO 0.00 -0.10 -0.09 -3.38 0.01 0.00 0.00 175.29 171.73 1qty s HIS 90 N 2.00 2.28 -0.53 0.91 -3.43 -0.88 -4.93 115.29 110.72 1qty s HIS 90 Ca -0.06 -0.55 -0.21 0.00 -0.80 0.00 0.00 55.06 53.45 1qty s HIS 90 Cb -0.05 -1.31 0.06 0.00 -1.43 0.00 0.00 32.58 29.85 1qty s HIS 90 CO -0.17 0.50 0.73 0.42 -2.00 0.00 0.00 174.74 174.23 1qty s ILE 91 N -2.72 4.72 0.25 -5.38 -1.09 -1.26 -1.80 121.20 113.92 1qty s ILE 91 Ca 0.32 -0.31 0.05 0.00 -2.23 0.00 0.00 60.65 58.48 1qty s ILE 91 Cb 0.03 -4.39 -0.03 0.00 -1.58 0.00 0.00 42.46 36.49 1qty s ILE 91 CO 0.15 -0.94 0.35 -0.83 -1.23 0.00 0.00 174.94 172.45 1qty s GLY 92 N 2.83 1.25 -0.34 6.18 0.00 -0.16 -4.92 107.32 112.16 1qty s GLY 92 Ca 0.19 -1.26 -0.12 0.00 0.00 0.00 0.00 44.72 43.54 1qty s GLY 92 CO 0.13 -1.28 0.21 -0.54 0.00 0.00 0.00 173.10 171.63 1qty s GLU 93 N -3.98 3.29 0.02 2.90 2.02 -1.26 -1.14 118.70 120.55 1qty s GLU 93 Ca 0.34 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.57 1qty s GLU 93 Cb -0.09 -3.74 -0.04 0.00 0.10 0.00 0.00 34.13 30.37 1qty s GLU 93 CO 0.29 -0.50 0.06 -1.64 0.02 0.00 0.00 175.26 173.48 1qty s MET 94 N 1.66 2.93 -0.08 1.61 -1.94 0.07 -4.89 119.30 118.66 1qty s MET 94 Ca 0.05 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.46 1qty s MET 94 Cb -0.18 -2.77 -0.03 0.00 2.01 0.00 0.00 34.83 33.87 1qty s MET 94 CO 0.09 0.62 -0.07 0.45 -0.01 0.00 0.00 175.02 176.09 1qty s SER 95 N -1.84 4.58 0.16 3.03 0.15 -1.26 0.93 113.70 119.45 1qty s SER 95 Ca 0.23 -0.07 0.07 0.00 0.70 0.00 0.00 55.95 56.88 1qty s SER 95 Cb -0.12 -1.27 -0.04 0.00 -1.71 0.00 0.00 66.02 62.88 1qty s SER 95 CO 0.15 0.32 -0.15 -0.36 1.20 0.00 0.00 173.24 174.40 1qty s PHE 96 N -0.54 1.59 -0.01 3.44 0.08 0.34 -4.90 117.98 117.98 1qty s PHE 96 Ca 0.08 -0.55 -0.22 0.00 0.12 0.00 0.00 56.93 56.35 1qty s PHE 96 Cb -0.12 -0.79 -0.05 0.00 -0.57 0.00 0.00 43.02 41.49 1qty s PHE 96 CO 0.02 0.25 0.66 -1.17 -0.10 0.00 0.00 175.22 174.88 1qty s LEU 97 N -2.82 4.40 0.02 -0.37 2.96 -1.26 0.21 118.68 121.81 1qty s LEU 97 Ca 0.15 1.23 0.07 0.00 -0.22 0.00 0.00 54.13 55.37 1qty s LEU 97 Cb -0.03 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 43.60 1qty s LEU 97 CO 0.05 0.03 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.78 1qty s GLN 98 N 0.08 1.66 -0.34 1.98 -0.21 0.39 -4.80 119.66 118.42 1qty s GLN 98 Ca 0.34 -0.91 -0.14 0.00 0.02 0.00 0.00 55.36 54.67 1qty s GLN 98 Cb -0.19 -1.71 -0.02 0.00 1.00 0.00 0.00 33.01 32.10 1qty s GLN 98 CO 0.19 0.45 0.33 -1.01 -2.12 0.00 0.00 175.29 173.13 1qty s HIS 99 N -0.67 3.22 -0.12 0.91 3.76 -0.09 -2.03 115.29 120.26 1qty s HIS 99 Ca 0.09 -0.04 0.17 0.00 -0.15 0.00 0.00 55.06 55.12 1qty s HIS 99 Cb -0.09 -2.61 -0.14 0.00 1.11 0.00 0.00 32.58 30.85 1qty s HIS 99 CO 0.01 -0.40 0.80 0.09 -0.85 0.00 0.00 174.74 174.39 1qty n ASN 100 N 5.30 0.83 -3.77 1.40 4.13 0.69 -4.59 115.26 119.26 1qty n ASN 100 Ca -0.10 0.37 -0.13 0.00 1.68 0.00 0.00 54.58 56.39 1qty n ASN 100 Cb 0.50 0.19 -0.14 0.00 -1.54 0.00 0.00 39.78 38.79 1qty n ASN 100 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1qty s LYS 101 N -2.91 0.08 0.27 3.52 2.20 -1.13 -4.90 119.74 116.87 1qty s LYS 101 Ca -0.03 0.29 0.11 0.00 -0.36 0.00 0.00 55.97 55.97 1qty s LYS 101 Cb 0.09 -0.14 -0.05 0.00 -1.51 0.00 0.00 37.83 36.22 1qty s LYS 101 CO 0.81 -0.13 -0.09 0.00 -0.36 0.00 0.00 175.35 175.58 1qty s GLU 103 N -3.59 0.98 -0.19 0.00 2.02 0.94 -4.82 118.70 114.05 1qty s GLU 103 Ca 0.31 0.38 -0.26 0.00 0.02 0.00 0.00 54.97 55.42 1qty s GLU 103 Cb -0.06 0.46 -0.01 0.00 0.10 0.00 0.00 34.13 34.62 1qty s GLU 103 CO 0.18 -0.27 0.86 0.00 0.02 0.00 0.00 175.26 176.05 1qty s ARG 105 N 2.41 1.11 0.08 0.00 1.81 -0.33 -4.86 118.95 119.18 1qty s ARG 105 Ca 0.39 -1.52 -0.31 0.00 -1.72 0.00 0.00 55.73 52.57 1qty s ARG 105 Cb -0.16 -0.43 -0.07 0.00 -0.45 0.00 0.00 34.95 33.84 1qty s ARG 105 CO 0.11 -0.06 1.30 -2.14 -0.68 0.00 0.00 175.30 173.84 1qty s PRO 106 N -3.85 4.37 0.00 3.54 0.02 -1.26 0.15 135.00 137.96 1qty s PRO 106 Ca 0.22 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.17 1qty s PRO 106 Cb 0.05 -3.31 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1qty s PRO 106 CO 0.03 -0.36 0.42 1.63 -0.33 0.00 0.00 177.00 178.39