#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vpp s VAL 14 N 0.00 -0.04 0.01 6.31 1.01 -1.26 -5.13 120.40 121.30 1vpp s VAL 14 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1vpp s VAL 14 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 1vpp s VAL 14 CO 0.00 0.07 1.01 -0.69 0.00 0.00 0.00 175.10 175.49 1vpp s VAL 15 N 0.91 4.74 0.48 2.92 1.01 -1.26 -5.03 120.40 124.17 1vpp s VAL 15 Ca -0.07 1.98 -0.19 0.00 0.00 0.00 0.00 61.98 63.69 1vpp s VAL 15 Cb -0.10 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 1vpp s VAL 15 CO -0.03 0.16 1.00 -0.54 0.00 0.00 0.00 175.10 175.68 1vpp s LYS 16 N 0.99 3.93 0.22 2.72 -0.14 -1.26 -4.79 119.74 121.40 1vpp s LYS 16 Ca 0.53 1.18 -0.13 0.00 -1.36 0.00 0.00 55.97 56.19 1vpp s LYS 16 Cb -0.22 -2.13 0.25 0.00 -1.68 0.00 0.00 37.83 34.05 1vpp s LYS 16 CO 0.28 -0.29 1.62 0.35 -0.76 0.00 0.00 175.35 176.54 1vpp h PHE 17 N 1.45 -0.40 -0.71 3.18 3.57 -1.99 -0.88 116.94 121.16 1vpp h PHE 17 Ca -0.49 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.16 1vpp h PHE 17 Cb 1.20 0.28 -0.07 0.00 2.79 0.00 0.00 35.95 40.15 1vpp h PHE 17 CO 0.60 -0.30 0.36 1.98 -2.23 0.00 0.00 178.31 178.73 1vpp h MET 18 N -0.01 0.60 -0.37 1.11 4.05 -1.99 0.45 114.93 118.77 1vpp h MET 18 Ca 0.32 -0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 59.58 1vpp h MET 18 Cb 0.50 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1vpp h MET 18 CO -0.69 0.40 -0.25 -0.44 0.23 0.00 0.00 176.91 176.16 1vpp h ASP 19 N 0.62 0.86 -0.78 1.39 3.32 -1.57 -1.50 116.42 118.77 1vpp h ASP 19 Ca 0.35 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1vpp h ASP 19 Cb 0.34 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1vpp h ASP 19 CO -0.26 1.11 0.44 0.58 -1.72 0.00 0.00 179.24 179.39 1vpp h VAL 20 N 0.62 1.23 -0.10 -1.35 2.07 -0.86 -0.70 116.25 117.16 1vpp h VAL 20 Ca 0.07 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1vpp h VAL 20 Cb 0.82 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1vpp h VAL 20 CO 0.07 0.25 0.04 0.22 0.02 0.00 0.00 177.57 178.17 1vpp h TYR 21 N 1.07 0.16 -0.20 1.57 5.03 -0.88 -1.29 116.97 122.43 1vpp h TYR 21 Ca 0.27 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.51 1vpp h TYR 21 Cb 0.01 -0.05 -0.00 0.00 1.55 0.00 0.00 36.73 38.24 1vpp h TYR 21 CO -0.00 0.26 -0.13 1.96 -1.32 0.00 0.00 178.16 178.93 1vpp h GLN 22 N 0.01 0.44 0.00 1.82 4.20 -1.16 -3.05 115.11 117.37 1vpp h GLN 22 Ca 0.03 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 1vpp h GLN 22 Cb 0.17 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 1vpp h GLN 22 CO -0.00 0.75 -0.15 0.00 -0.67 0.00 0.00 178.83 178.75 1vpp h ARG 23 N 0.13 0.00 0.00 1.46 3.08 -1.07 -3.10 114.38 114.88 1vpp h ARG 23 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1vpp h ARG 23 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1vpp h ARG 23 CO 0.04 0.15 -0.86 0.66 -1.07 0.00 0.00 179.97 178.89 1vpp h SER 24 N 0.00 0.00 -3.48 7.04 4.64 -1.24 -3.47 113.55 117.04 1vpp h SER 24 Ca -0.00 -0.13 -0.53 0.00 -0.47 0.00 0.00 61.79 60.66 1vpp h SER 24 Cb 0.58 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.75 1vpp h SER 24 CO 0.02 0.07 0.80 -0.47 -0.87 0.00 0.00 176.83 176.38 1vpp s TYR 25 N -3.27 2.87 -0.15 4.77 6.14 -1.16 -1.43 117.35 125.12 1vpp s TYR 25 Ca 0.03 0.99 -0.14 0.00 0.64 0.00 0.00 57.07 58.59 1vpp s TYR 25 Cb 0.12 -3.93 -0.06 0.00 0.42 0.00 0.00 41.96 38.51 1vpp s TYR 25 CO 0.77 -2.98 0.54 0.00 0.64 0.00 0.00 175.55 174.51 1vpp s HIS 27 N 1.25 -0.07 -0.07 0.00 -3.43 -0.36 -4.87 115.29 107.75 1vpp s HIS 27 Ca 0.33 -0.25 -0.30 0.00 -0.80 0.00 0.00 55.06 54.05 1vpp s HIS 27 Cb -0.45 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.31 1vpp s HIS 27 CO 0.22 -0.81 1.36 -2.14 -2.00 0.00 0.00 174.74 171.38 1vpp s PRO 28 N -2.92 4.27 0.03 -0.38 0.02 -1.26 -1.55 135.00 133.20 1vpp s PRO 28 Ca 0.15 1.86 0.05 0.00 0.02 0.00 0.00 61.00 63.08 1vpp s PRO 28 Cb -0.01 -3.69 -0.02 0.00 0.02 0.00 0.00 34.50 30.80 1vpp s PRO 28 CO 0.03 -0.63 -0.16 -1.50 -0.33 0.00 0.00 177.00 174.40 1vpp s ILE 29 N 2.94 1.28 0.13 2.83 2.07 0.50 -4.83 121.20 126.11 1vpp s ILE 29 Ca 0.61 -0.97 -0.31 0.00 -1.41 0.00 0.00 60.65 58.57 1vpp s ILE 29 Cb -0.28 -1.12 -0.09 0.00 0.13 0.00 0.00 42.46 41.10 1vpp s ILE 29 CO 0.23 0.13 1.55 -0.70 -1.91 0.00 0.00 174.94 174.24 1vpp s GLU 30 N -0.97 4.23 -0.03 3.50 2.12 -1.26 -1.33 118.70 124.96 1vpp s GLU 30 Ca 0.04 2.29 0.02 0.00 0.36 0.00 0.00 54.97 57.68 1vpp s GLU 30 Cb -0.08 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 31.02 1vpp s GLU 30 CO 0.01 -0.61 -0.07 0.99 -0.54 0.00 0.00 175.26 175.04 1vpp s THR 31 N 1.56 0.67 -0.54 -1.70 2.01 0.26 -4.93 115.64 112.97 1vpp s THR 31 Ca 0.70 -0.27 -0.20 0.00 0.31 0.00 0.00 61.69 62.23 1vpp s THR 31 Cb -0.41 -0.61 0.07 0.00 0.01 0.00 0.00 72.50 71.55 1vpp s THR 31 CO 0.31 0.22 0.69 -0.76 -0.69 0.00 0.00 174.62 174.39 1vpp s LEU 32 N 0.36 4.96 -0.21 4.42 1.43 -1.26 -1.19 118.68 127.18 1vpp s LEU 32 Ca -0.05 -0.99 -0.07 0.00 -1.03 0.00 0.00 54.13 51.99 1vpp s LEU 32 Cb -0.10 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 1vpp s LEU 32 CO 0.00 -1.01 0.05 -0.69 0.23 0.00 0.00 176.35 174.94 1vpp s VAL 33 N 2.84 4.36 0.37 -1.59 1.01 0.58 -4.83 120.40 123.14 1vpp s VAL 33 Ca 0.16 -0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.69 1vpp s VAL 33 Cb -0.20 -3.00 -0.11 0.00 0.00 0.00 0.00 36.38 33.07 1vpp s VAL 33 CO 0.11 0.40 1.34 0.47 0.00 0.00 0.00 175.10 177.42 1vpp n ASP 34 N 4.28 3.01 -0.09 3.32 8.00 -1.26 -1.05 116.55 132.76 1vpp n ASP 34 Ca -0.16 1.19 -0.11 0.00 0.71 0.00 0.00 54.79 56.42 1vpp n ASP 34 Cb 0.52 -1.53 -0.04 0.00 -0.02 0.00 0.00 41.12 40.06 1vpp n ASP 34 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1vpp h ILE 35 N 2.56 1.25 0.00 0.53 2.04 -1.15 -3.47 117.51 119.27 1vpp h ILE 35 Ca -0.48 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 64.52 1vpp h ILE 35 Cb 1.27 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1vpp h ILE 35 CO 0.62 0.28 0.00 0.49 0.00 0.00 0.00 178.15 179.54 1vpp n PHE 36 N -4.63 0.00 0.18 1.37 3.72 -1.26 -5.12 117.46 111.72 1vpp n PHE 36 Ca -0.03 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.43 1vpp n PHE 36 Cb 0.23 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.69 1vpp n PHE 36 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1vpp n ILE 43 N 0.00 0.00 0.00 4.37 -5.35 -1.26 -5.23 119.36 111.89 1vpp n ILE 43 Ca 0.00 -0.25 -0.22 0.00 -0.27 0.00 0.00 62.75 62.01 1vpp n ILE 43 Cb 0.00 0.50 -0.14 0.00 -1.74 0.00 0.00 39.64 38.27 1vpp n ILE 43 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1vpp h GLU 44 N 0.00 0.25 -6.47 6.28 4.81 -2.05 -3.49 114.58 113.91 1vpp h GLU 44 Ca 0.00 -0.43 -0.63 0.00 -0.13 0.00 0.00 59.36 58.17 1vpp h GLU 44 Cb 0.43 0.16 -0.18 0.00 0.63 0.00 0.00 28.75 29.80 1vpp h GLU 44 CO 0.00 1.20 -0.81 0.71 -0.73 0.00 0.00 179.01 179.39 1vpp s TYR 45 N -2.54 2.26 -0.06 0.92 2.02 -1.26 -4.51 117.35 114.18 1vpp s TYR 45 Ca -0.22 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.17 1vpp s TYR 45 Cb 0.06 -1.09 -0.01 0.00 -0.40 0.00 0.00 41.96 40.53 1vpp s TYR 45 CO 0.76 0.53 -0.25 0.42 -1.57 0.00 0.00 175.55 175.44 1vpp s ILE 46 N -1.89 2.04 0.06 2.71 1.01 0.33 -4.96 121.20 120.50 1vpp s ILE 46 Ca 0.22 -1.06 -0.15 0.00 0.00 0.00 0.00 60.65 59.67 1vpp s ILE 46 Cb -0.07 -1.73 -0.06 0.00 0.01 0.00 0.00 42.46 40.61 1vpp s ILE 46 CO 0.11 0.57 0.47 -0.36 0.00 0.00 0.00 174.94 175.72 1vpp s PHE 47 N -0.16 3.70 -0.05 3.97 0.40 -1.26 -0.67 117.98 123.91 1vpp s PHE 47 Ca -0.04 1.03 0.00 0.00 -0.60 0.00 0.00 56.93 57.33 1vpp s PHE 47 Cb -0.14 -2.33 0.02 0.00 0.51 0.00 0.00 43.02 41.09 1vpp s PHE 47 CO 0.04 0.57 -0.02 0.21 0.70 0.00 0.00 175.22 176.71 1vpp s LYS 48 N -1.40 0.66 1.09 0.44 2.20 0.59 -3.26 119.74 120.05 1vpp s LYS 48 Ca 0.29 -0.02 -0.13 0.00 -0.36 0.00 0.00 55.97 55.76 1vpp s LYS 48 Cb -0.16 -0.79 0.24 0.00 -1.51 0.00 0.00 37.83 35.61 1vpp s LYS 48 CO 0.16 -0.14 1.06 -1.25 -0.36 0.00 0.00 175.35 174.82 1vpp s PRO 49 N 1.18 -0.30 0.00 4.03 0.04 -1.26 -0.92 135.00 137.76 1vpp s PRO 49 Ca -0.07 0.71 0.26 0.00 0.04 0.00 0.00 61.00 61.94 1vpp s PRO 49 Cb -0.14 -1.64 0.69 0.00 0.04 0.00 0.00 34.50 33.45 1vpp s PRO 49 CO -0.02 -3.27 1.54 -1.13 0.04 0.00 0.00 177.00 174.16 1vpp n SER 50 N -4.58 2.00 -3.92 6.66 3.41 -1.20 -4.86 113.62 111.13 1vpp n SER 50 Ca 0.04 -1.62 -0.10 0.00 -0.26 0.00 0.00 58.87 56.93 1vpp n SER 50 Cb 0.56 0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 1vpp n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vpp s VAL 52 N -2.26 1.45 -0.41 0.00 -7.23 -0.22 -4.88 120.40 106.85 1vpp s VAL 52 Ca -0.08 -1.87 -0.22 0.00 -1.81 0.00 0.00 61.98 58.00 1vpp s VAL 52 Cb -0.03 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.23 1vpp s VAL 52 CO -0.03 -0.47 0.74 -2.16 -0.31 0.00 0.00 175.10 172.87 1vpp s PRO 53 N -2.97 3.51 0.04 4.82 0.04 -1.26 -0.31 135.00 138.88 1vpp s PRO 53 Ca 0.13 -0.02 0.05 0.00 0.04 0.00 0.00 61.00 61.19 1vpp s PRO 53 Cb -0.03 -3.89 -0.02 0.00 0.04 0.00 0.00 34.50 30.59 1vpp s PRO 53 CO 0.04 -0.98 -0.13 -0.51 0.04 0.00 0.00 177.00 175.46 1vpp s LEU 54 N 3.08 2.19 -0.19 -3.56 1.43 -0.34 -4.92 118.68 116.38 1vpp s LEU 54 Ca 0.28 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.60 1vpp s LEU 54 Cb -0.13 -0.54 -0.01 0.00 0.03 0.00 0.00 46.19 45.54 1vpp s LEU 54 CO 0.19 -0.01 1.27 -0.04 0.23 0.00 0.00 176.35 178.00 1vpp s MET 55 N -1.27 4.18 -0.02 1.70 -1.94 -1.26 -0.58 119.30 120.12 1vpp s MET 55 Ca -0.00 1.60 0.04 0.00 -1.71 0.00 0.00 55.69 55.62 1vpp s MET 55 Cb -0.08 -3.79 -0.01 0.00 2.01 0.00 0.00 34.83 32.97 1vpp s MET 55 CO 0.01 -0.78 -0.12 1.03 -0.01 0.00 0.00 175.02 175.15 1vpp s ARG 56 N 3.62 1.08 0.25 2.03 1.81 -0.45 -1.52 118.95 125.77 1vpp s ARG 56 Ca 0.55 -0.44 -0.30 0.00 -1.72 0.00 0.00 55.73 53.82 1vpp s ARG 56 Cb -0.21 -1.03 -0.11 0.00 -0.45 0.00 0.00 34.95 33.16 1vpp s ARG 56 CO 0.16 0.24 1.53 0.00 -0.68 0.00 0.00 175.30 176.55 1vpp n GLY 58 N 2.47 1.46 2.35 0.00 0.00 -0.60 -4.87 105.19 106.00 1vpp n GLY 58 Ca 0.09 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1vpp n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vpp n GLY 59 N -0.55 -1.80 3.46 -0.02 0.00 -1.26 -1.22 105.19 103.79 1vpp n GLY 59 Ca -0.05 -1.82 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 1vpp n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vpp h ASN 62 N 1.57 0.00 -5.13 0.00 -0.26 -2.01 -3.44 115.58 106.31 1vpp h ASN 62 Ca -0.42 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.24 1vpp h ASN 62 Cb 1.29 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 38.40 1vpp h ASN 62 CO 0.72 0.00 -0.33 1.51 -1.06 0.00 0.00 177.43 178.27 1vpp s ASP 63 N -5.20 0.06 0.00 5.81 1.47 -1.26 -5.04 116.67 112.51 1vpp s ASP 63 Ca 0.03 -0.56 0.10 0.00 1.18 0.00 0.00 52.55 53.31 1vpp s ASP 63 Cb 0.09 0.35 0.45 0.00 -0.34 0.00 0.00 42.92 43.47 1vpp s ASP 63 CO 0.51 -0.72 1.29 -0.62 0.68 0.00 0.00 175.17 176.31 1vpp n GLU 64 N 0.03 0.04 0.00 2.11 -0.58 -1.26 -2.22 120.64 118.76 1vpp n GLU 64 Ca -0.16 0.29 0.14 0.00 -0.42 0.00 0.00 57.16 57.01 1vpp n GLU 64 Cb 0.62 -1.50 0.64 0.00 -0.57 0.00 0.00 31.44 30.63 1vpp n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vpp n GLY 65 N -0.46 -0.96 3.45 0.62 0.00 -1.26 -4.88 105.19 101.71 1vpp n GLY 65 Ca 0.03 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1vpp n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vpp s LEU 66 N -2.45 2.57 0.09 0.99 1.43 -0.94 -0.37 118.68 120.00 1vpp s LEU 66 Ca 0.30 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1vpp s LEU 66 Cb 0.20 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 1vpp s LEU 66 CO 0.47 0.19 -0.08 -1.83 0.23 0.00 0.00 176.35 175.33 1vpp s GLU 67 N -1.97 0.80 -0.29 1.70 -1.05 0.05 -4.73 118.70 113.21 1vpp s GLU 67 Ca 0.16 -1.19 -0.18 0.00 -0.15 0.00 0.00 54.97 53.61 1vpp s GLU 67 Cb -0.10 -0.33 -0.02 0.00 -0.44 0.00 0.00 34.13 33.24 1vpp s GLU 67 CO 0.08 0.02 0.53 0.00 0.95 0.00 0.00 175.26 176.84 1vpp s VAL 69 N 2.38 1.61 0.28 0.00 -7.23 -0.10 -4.87 120.40 112.46 1vpp s VAL 69 Ca 0.21 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.19 1vpp s VAL 69 Cb -0.15 -1.76 -0.09 0.00 0.56 0.00 0.00 36.38 34.93 1vpp s VAL 69 CO 0.11 -0.41 1.09 -2.16 -0.31 0.00 0.00 175.10 173.42 1vpp s PRO 70 N -2.91 4.66 0.00 4.82 0.04 -1.26 -0.87 135.00 139.47 1vpp s PRO 70 Ca 0.14 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1vpp s PRO 70 Cb -0.04 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1vpp s PRO 70 CO 0.05 0.23 0.00 0.25 0.04 0.00 0.00 177.00 177.58 1vpp n THR 71 N 1.23 0.00 -3.76 1.26 -2.24 0.30 -4.87 114.28 106.20 1vpp n THR 71 Ca -0.01 -0.18 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 1vpp n THR 71 Cb 0.45 0.67 -0.14 0.00 -2.10 0.00 0.00 70.33 69.21 1vpp n THR 71 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1vpp s GLU 72 N -1.60 0.09 0.09 -0.78 2.02 -1.11 -4.95 118.70 112.46 1vpp s GLU 72 Ca 0.00 0.32 0.02 0.00 0.02 0.00 0.00 54.97 55.33 1vpp s GLU 72 Cb 0.00 -0.14 -0.04 0.00 0.10 0.00 0.00 34.13 34.05 1vpp s GLU 72 CO 0.00 -0.14 -0.08 -1.21 0.02 0.00 0.00 175.26 173.85 1vpp s GLU 73 N 0.96 0.79 0.33 1.61 2.02 -1.26 -1.02 118.70 122.14 1vpp s GLU 73 Ca -0.07 -1.20 -0.17 0.00 0.02 0.00 0.00 54.97 53.54 1vpp s GLU 73 Cb -0.10 -0.30 0.04 0.00 0.10 0.00 0.00 34.13 33.87 1vpp s GLU 73 CO -0.05 0.02 0.73 -1.54 0.02 0.00 0.00 175.26 174.44 1vpp s SER 74 N -2.67 -0.05 0.18 -0.19 1.04 -0.61 -4.88 113.70 106.53 1vpp s SER 74 Ca 0.07 -0.95 0.09 0.00 0.48 0.00 0.00 55.95 55.64 1vpp s SER 74 Cb 0.01 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 1vpp s SER 74 CO -0.03 -1.51 -0.10 0.20 0.98 0.00 0.00 173.24 172.78 1vpp s ASN 75 N -3.02 4.20 -0.02 7.02 0.01 -1.26 -0.75 114.94 121.12 1vpp s ASN 75 Ca 0.15 -0.60 0.02 0.00 -0.71 0.00 0.00 52.86 51.72 1vpp s ASN 75 Cb -0.05 -0.69 0.00 0.00 0.41 0.00 0.00 41.25 40.92 1vpp s ASN 75 CO 0.10 0.10 -0.08 -0.51 -1.51 0.00 0.00 177.10 175.20 1vpp s ILE 76 N -1.73 0.66 -0.14 0.60 2.07 -0.02 -4.91 121.20 117.73 1vpp s ILE 76 Ca 0.25 -0.32 -0.08 0.00 -1.41 0.00 0.00 60.65 59.09 1vpp s ILE 76 Cb -0.09 -0.58 -0.04 0.00 0.13 0.00 0.00 42.46 41.88 1vpp s ILE 76 CO 0.15 0.20 0.13 -0.89 -1.91 0.00 0.00 174.94 172.62 1vpp s THR 77 N 0.06 5.38 0.03 4.00 2.01 -1.26 -0.78 115.64 125.07 1vpp s THR 77 Ca -0.01 0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.18 1vpp s THR 77 Cb -0.06 -3.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 1vpp s THR 77 CO -0.00 0.56 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.37 1vpp s MET 78 N -0.55 0.59 0.01 4.92 1.00 -0.15 -4.96 119.30 120.16 1vpp s MET 78 Ca 0.12 -0.57 -0.30 0.00 0.00 0.00 0.00 55.69 54.94 1vpp s MET 78 Cb -0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 34.83 34.20 1vpp s MET 78 CO 0.02 0.11 0.99 -0.65 0.00 0.00 0.00 175.02 175.49 1vpp s GLN 79 N -1.00 4.56 -0.04 2.03 -0.21 -1.26 -1.19 119.66 122.56 1vpp s GLN 79 Ca -0.03 1.43 0.03 0.00 0.02 0.00 0.00 55.36 56.81 1vpp s GLN 79 Cb -0.07 -3.45 0.00 0.00 1.00 0.00 0.00 33.01 30.49 1vpp s GLN 79 CO 0.00 -0.04 -0.14 0.42 -2.12 0.00 0.00 175.29 173.42 1vpp s ILE 80 N 0.95 1.16 -0.04 1.08 -1.09 -0.05 -4.90 121.20 118.31 1vpp s ILE 80 Ca 0.52 -0.56 -0.18 0.00 -2.23 0.00 0.00 60.65 58.19 1vpp s ILE 80 Cb -0.21 -1.01 -0.05 0.00 -1.58 0.00 0.00 42.46 39.61 1vpp s ILE 80 CO 0.28 0.34 0.51 -0.32 -1.23 0.00 0.00 174.94 174.53 1vpp s MET 81 N 0.14 4.25 -0.23 2.79 -2.45 -0.10 -1.42 119.30 122.28 1vpp s MET 81 Ca -0.04 0.56 -0.06 0.00 -1.25 0.00 0.00 55.69 54.91 1vpp s MET 81 Cb -0.11 -3.35 -0.02 0.00 1.25 0.00 0.00 34.83 32.60 1vpp s MET 81 CO 0.02 0.36 0.02 0.50 1.05 0.00 0.00 175.02 176.96 1vpp s ARG 82 N -0.08 3.55 -0.13 4.11 3.52 0.41 -0.30 118.95 130.02 1vpp s ARG 82 Ca 0.28 -0.54 0.01 0.00 -0.13 0.00 0.00 55.73 55.35 1vpp s ARG 82 Cb -0.17 -3.16 -0.01 0.00 -1.56 0.00 0.00 34.95 30.05 1vpp s ARG 82 CO 0.14 -0.15 -0.16 0.42 -0.81 0.00 0.00 175.30 174.74 1vpp s ILE 83 N 1.43 2.74 -0.50 4.11 1.01 0.16 -1.21 121.20 128.94 1vpp s ILE 83 Ca 0.05 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.81 1vpp s ILE 83 Cb -0.15 -2.13 0.11 0.00 0.01 0.00 0.00 42.46 40.30 1vpp s ILE 83 CO 0.01 0.53 0.41 -0.75 0.00 0.00 0.00 174.94 175.14 1vpp s LYS 84 N 0.46 2.78 0.10 2.79 2.20 -0.73 -0.51 119.74 126.83 1vpp s LYS 84 Ca -0.11 -1.65 -0.36 0.00 -0.36 0.00 0.00 55.97 53.49 1vpp s LYS 84 Cb -0.16 -4.10 -0.17 0.00 -1.51 0.00 0.00 37.83 31.88 1vpp s LYS 84 CO 0.05 -1.21 1.15 -2.30 -0.36 0.00 0.00 175.35 172.69 1vpp n PRO 85 N 5.10 0.79 -1.20 4.03 -0.02 -1.26 -0.82 135.00 141.61 1vpp n PRO 85 Ca -0.11 0.28 -0.08 0.00 -2.02 0.00 0.00 63.50 61.57 1vpp n PRO 85 Cb 0.41 -1.79 -0.04 0.00 -0.02 0.00 0.00 33.50 32.06 1vpp n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1vpp n HIS 86 N 1.73 -0.03 0.00 6.00 8.25 -1.26 -4.74 115.22 125.18 1vpp n HIS 86 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1vpp n HIS 86 Cb 0.19 -2.51 0.00 0.00 1.12 0.00 0.00 29.99 28.79 1vpp n HIS 86 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1vpp n GLN 87 N -0.42 0.47 -3.72 -0.41 6.02 -0.00 -5.15 117.38 114.16 1vpp n GLN 87 Ca -0.08 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 56.93 1vpp n GLN 87 Cb 0.54 -0.73 0.00 0.00 1.02 0.00 0.00 30.24 31.07 1vpp n GLN 87 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1vpp s GLY 88 N -3.08 -0.35 -0.30 1.08 0.00 -0.42 -4.99 107.32 99.26 1vpp s GLY 88 Ca 0.00 0.55 -0.13 0.00 0.00 0.00 0.00 44.72 45.14 1vpp s GLY 88 CO 0.00 1.95 0.78 -0.86 0.00 0.00 0.00 173.10 174.97 1vpp s GLN 89 N -2.20 0.49 0.03 2.90 -2.07 -1.26 -1.77 119.66 115.78 1vpp s GLN 89 Ca 0.19 1.15 0.07 0.00 -1.82 0.00 0.00 55.36 54.96 1vpp s GLN 89 Cb 0.04 0.61 -0.02 0.00 -1.09 0.00 0.00 33.01 32.54 1vpp s GLN 89 CO -0.04 -0.15 -0.21 -1.01 -1.32 0.00 0.00 175.29 172.56 1vpp s HIS 90 N 2.52 1.87 0.08 9.60 3.76 -0.35 -4.98 115.29 127.79 1vpp s HIS 90 Ca -0.06 -0.37 -0.26 0.00 -0.15 0.00 0.00 55.06 54.22 1vpp s HIS 90 Cb -0.09 -1.13 -0.06 0.00 1.11 0.00 0.00 32.58 32.41 1vpp s HIS 90 CO -0.18 0.07 0.79 0.42 -0.85 0.00 0.00 174.74 174.99 1vpp s ILE 91 N -0.74 4.63 0.10 0.60 -1.09 -1.26 -0.45 121.20 122.98 1vpp s ILE 91 Ca 0.08 1.70 -0.03 0.00 -2.23 0.00 0.00 60.65 60.18 1vpp s ILE 91 Cb -0.09 -4.15 -0.03 0.00 -1.58 0.00 0.00 42.46 36.61 1vpp s ILE 91 CO 0.01 0.39 0.06 -0.83 -1.23 0.00 0.00 174.94 173.34 1vpp s GLY 92 N -0.26 0.62 -0.10 6.18 0.00 -0.51 -4.95 107.32 108.29 1vpp s GLY 92 Ca 0.39 -1.20 -0.05 0.00 0.00 0.00 0.00 44.72 43.85 1vpp s GLY 92 CO 0.25 -1.23 0.11 -0.54 0.00 0.00 0.00 173.10 171.69 1vpp s GLU 93 N -3.97 3.31 0.05 2.90 2.02 -1.26 -0.87 118.70 120.88 1vpp s GLU 93 Ca 0.14 -0.22 0.04 0.00 0.02 0.00 0.00 54.97 54.95 1vpp s GLU 93 Cb 0.07 -3.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 1vpp s GLU 93 CO -0.05 0.75 -0.13 -1.64 0.02 0.00 0.00 175.26 174.22 1vpp s MET 94 N -1.08 0.79 -0.17 1.61 -1.94 -0.33 -4.95 119.30 113.23 1vpp s MET 94 Ca 0.16 -0.80 -0.06 0.00 -1.71 0.00 0.00 55.69 53.27 1vpp s MET 94 Cb -0.12 -0.76 -0.03 0.00 2.01 0.00 0.00 34.83 35.92 1vpp s MET 94 CO 0.05 0.18 0.02 0.45 -0.01 0.00 0.00 175.02 175.71 1vpp s SER 95 N -1.39 5.25 0.23 3.03 0.15 -1.26 -0.98 113.70 118.72 1vpp s SER 95 Ca -0.02 -0.02 0.12 0.00 0.70 0.00 0.00 55.95 56.72 1vpp s SER 95 Cb -0.09 -1.89 -0.05 0.00 -1.71 0.00 0.00 66.02 62.29 1vpp s SER 95 CO 0.01 0.16 -0.21 -0.36 1.20 0.00 0.00 173.24 174.04 1vpp s PHE 96 N 0.43 2.32 0.12 3.44 0.08 0.04 -4.91 117.98 119.50 1vpp s PHE 96 Ca 0.00 -0.34 -0.27 0.00 0.12 0.00 0.00 56.93 56.44 1vpp s PHE 96 Cb -0.13 -1.09 -0.07 0.00 -0.57 0.00 0.00 43.02 41.16 1vpp s PHE 96 CO 0.02 0.59 0.84 -1.17 -0.10 0.00 0.00 175.22 175.39 1vpp s LEU 97 N -3.02 4.53 0.04 -0.37 2.96 -1.26 -0.84 118.68 120.72 1vpp s LEU 97 Ca 0.25 1.65 0.09 0.00 -0.22 0.00 0.00 54.13 55.90 1vpp s LEU 97 Cb -0.07 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 1vpp s LEU 97 CO 0.12 0.07 -0.25 -1.10 -1.32 0.00 0.00 176.35 173.87 1vpp s GLN 98 N -0.49 1.87 -0.40 1.98 -1.52 0.07 -4.75 119.66 116.43 1vpp s GLN 98 Ca 0.40 -1.07 -0.16 0.00 -1.95 0.00 0.00 55.36 52.57 1vpp s GLN 98 Cb -0.23 -2.02 0.01 0.00 -0.22 0.00 0.00 33.01 30.56 1vpp s GLN 98 CO 0.27 0.52 0.38 -1.01 -0.25 0.00 0.00 175.29 175.20 1vpp s HIS 99 N -0.81 3.20 0.01 0.91 3.76 -0.58 -1.57 115.29 120.21 1vpp s HIS 99 Ca 0.12 -0.38 0.11 0.00 -0.15 0.00 0.00 55.06 54.76 1vpp s HIS 99 Cb -0.10 -2.77 -0.20 0.00 1.11 0.00 0.00 32.58 30.62 1vpp s HIS 99 CO 0.02 -0.62 0.97 -0.91 -0.85 0.00 0.00 174.74 173.35 1vpp h ASN 100 N 8.66 0.00 -4.57 1.40 2.35 -1.40 -3.42 115.58 118.59 1vpp h ASN 100 Ca -0.27 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.34 1vpp h ASN 100 Cb 1.12 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 39.27 1vpp h ASN 100 CO 0.76 0.95 -0.37 -0.54 -1.65 0.00 0.00 177.43 176.57 1vpp s LYS 101 N -2.68 0.50 0.06 0.81 1.02 -1.11 -4.89 119.74 113.45 1vpp s LYS 101 Ca -0.02 -0.04 0.03 0.00 0.02 0.00 0.00 55.97 55.96 1vpp s LYS 101 Cb 0.09 0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.59 1vpp s LYS 101 CO 0.82 -0.11 -0.09 0.00 -0.92 0.00 0.00 175.35 175.04 1vpp s GLU 103 N -2.13 0.88 -0.17 0.00 2.02 -0.05 -4.86 118.70 114.38 1vpp s GLU 103 Ca -0.03 -1.36 -0.17 0.00 0.02 0.00 0.00 54.97 53.43 1vpp s GLU 103 Cb -0.07 -0.29 -0.04 0.00 0.10 0.00 0.00 34.13 33.84 1vpp s GLU 103 CO -0.00 0.00 0.45 0.00 0.02 0.00 0.00 175.26 175.73 1vpp s ARG 105 N 1.08 0.61 0.28 0.00 0.52 -0.40 -4.89 118.95 116.15 1vpp s ARG 105 Ca 0.23 -0.93 -0.29 0.00 -0.52 0.00 0.00 55.73 54.21 1vpp s ARG 105 Cb -0.15 -0.23 -0.13 0.00 0.52 0.00 0.00 34.95 34.96 1vpp s ARG 105 CO 0.09 0.02 1.23 -2.30 0.02 0.00 0.00 175.30 174.36 1vpp n PRO 106 N 0.98 1.80 -1.37 3.54 -0.02 -1.26 -0.77 135.00 137.90 1vpp n PRO 106 Ca -0.19 0.64 -0.30 0.00 -2.02 0.00 0.00 63.50 61.62 1vpp n PRO 106 Cb 0.57 -2.17 0.10 0.00 -0.02 0.00 0.00 33.50 31.97 1vpp n PRO 106 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1vpp s LYS 107 N -1.24 2.01 0.00 -0.52 1.02 0.50 -4.76 119.74 116.75 1vpp s LYS 107 Ca 0.61 0.88 0.00 0.00 0.02 0.00 0.00 55.97 57.49 1vpp s LYS 107 Cb -0.65 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 1vpp s LYS 107 CO 0.57 -1.74 0.00 1.17 -0.92 0.00 0.00 175.35 174.44