#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 2.71 -0.12 3.84 1.01 -1.26 -4.96 120.40 121.62 1vpp s VAL 14 Ca 0.00 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 1vpp s VAL 14 Cb 0.00 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1vpp s VAL 14 CO 0.00 0.03 1.14 -0.69 0.00 0.00 0.00 175.10 175.58 1vpp s VAL 15 N 1.45 4.47 0.44 2.92 1.01 -1.26 -5.00 120.40 124.42 1vpp s VAL 15 Ca 0.71 1.77 -0.22 0.00 0.00 0.00 0.00 61.98 64.23 1vpp s VAL 15 Cb -0.43 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.73 1vpp s VAL 15 CO 0.31 -0.06 1.05 -0.54 0.00 0.00 0.00 175.10 175.86 1vpp s LYS 16 N 2.63 3.96 0.26 2.72 1.02 -1.26 -4.80 119.74 124.27 1vpp s LYS 16 Ca 0.52 1.46 -0.02 0.00 0.02 0.00 0.00 55.97 57.95 1vpp s LYS 16 Cb -0.21 -2.32 0.57 0.00 -0.52 0.00 0.00 37.83 35.35 1vpp s LYS 16 CO 0.16 -0.31 1.68 0.35 -0.92 0.00 0.00 175.35 176.32 1vpp h PHE 17 N 2.03 0.39 -0.94 3.18 3.57 -1.99 -0.20 116.94 122.97 1vpp h PHE 17 Ca -0.49 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.12 1vpp h PHE 17 Cb 1.22 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.85 1vpp h PHE 17 CO 0.57 -0.09 0.60 1.98 -2.23 0.00 0.00 178.31 179.14 1vpp h MET 18 N 0.30 1.07 -0.14 1.11 4.05 -1.99 0.14 114.93 119.47 1vpp h MET 18 Ca 0.47 -0.06 -0.22 0.00 -0.28 0.00 0.00 59.70 59.61 1vpp h MET 18 Cb 0.86 -0.24 0.01 0.00 -0.80 0.00 0.00 31.60 31.42 1vpp h MET 18 CO -0.54 0.71 -0.79 -0.44 0.23 0.00 0.00 176.91 176.08 1vpp h ASP 19 N 1.10 0.89 -0.38 1.39 3.32 -1.43 -1.64 116.42 119.67 1vpp h ASP 19 Ca 0.41 -0.59 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1vpp h ASP 19 Cb 0.16 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1vpp h ASP 19 CO -0.17 1.39 0.23 0.58 -1.72 0.00 0.00 179.24 179.55 1vpp h VAL 20 N 0.50 1.12 0.32 -1.35 2.07 -0.85 -1.90 116.25 116.18 1vpp h VAL 20 Ca -0.05 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1vpp h VAL 20 Cb 1.42 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1vpp h VAL 20 CO 0.16 0.12 -0.16 0.22 0.02 0.00 0.00 177.57 177.94 1vpp h TYR 21 N 0.50 -0.40 -0.87 1.57 3.20 -0.73 -1.43 116.97 118.81 1vpp h TYR 21 Ca 0.14 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.03 1vpp h TYR 21 Cb 0.00 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 1vpp h TYR 21 CO -0.04 -0.18 0.56 1.96 -1.64 0.00 0.00 178.16 178.82 1vpp h GLN 22 N -0.54 1.05 -0.08 1.82 1.08 -1.30 -2.65 115.11 114.49 1vpp h GLN 22 Ca -0.04 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 56.99 1vpp h GLN 22 Cb 0.40 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1vpp h GLN 22 CO 0.07 0.70 -0.42 0.00 -0.95 0.00 0.00 178.83 178.23 1vpp h ARG 23 N 1.08 0.17 -0.01 1.46 3.08 -1.17 -3.19 114.38 115.82 1vpp h ARG 23 Ca 0.35 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1vpp h ARG 23 Cb 0.01 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1vpp h ARG 23 CO -0.12 0.57 -0.55 -1.13 -1.07 0.00 0.00 179.97 177.67 1vpp n SER 24 N -4.03 1.13 -4.77 7.04 3.41 -0.55 -4.96 113.62 110.89 1vpp n SER 24 Ca -0.02 -0.90 -0.40 0.00 -0.26 0.00 0.00 58.87 57.29 1vpp n SER 24 Cb 0.47 0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 64.85 1vpp n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1vpp s TYR 25 N -2.74 3.13 -0.20 7.33 5.04 -1.02 -0.95 117.35 127.93 1vpp s TYR 25 Ca 0.16 1.48 -0.18 0.00 -2.44 0.00 0.00 57.07 56.08 1vpp s TYR 25 Cb 0.18 -3.58 -0.08 0.00 0.35 0.00 0.00 41.96 38.83 1vpp s TYR 25 CO 0.66 -1.59 0.80 0.00 -1.34 0.00 0.00 175.55 174.08 1vpp s HIS 27 N 2.03 -0.24 0.03 0.00 -3.43 -0.69 -4.87 115.29 108.12 1vpp s HIS 27 Ca 0.47 -0.00 -0.30 0.00 -0.80 0.00 0.00 55.06 54.42 1vpp s HIS 27 Cb -0.61 0.60 -0.06 0.00 -1.43 0.00 0.00 32.58 31.08 1vpp s HIS 27 CO 0.29 -0.75 1.37 -2.14 -2.00 0.00 0.00 174.74 171.51 1vpp s PRO 28 N -3.30 4.31 0.03 -0.38 0.02 -1.26 -1.30 135.00 133.12 1vpp s PRO 28 Ca 0.09 1.96 0.04 0.00 0.02 0.00 0.00 61.00 63.10 1vpp s PRO 28 Cb -0.01 -3.49 -0.02 0.00 0.02 0.00 0.00 34.50 31.00 1vpp s PRO 28 CO -0.03 -0.51 -0.12 -1.50 -0.33 0.00 0.00 177.00 174.52 1vpp s ILE 29 N 2.00 0.90 0.04 2.83 2.07 -0.01 -4.83 121.20 124.20 1vpp s ILE 29 Ca 0.63 -0.91 -0.30 0.00 -1.41 0.00 0.00 60.65 58.66 1vpp s ILE 29 Cb -0.32 -0.83 -0.09 0.00 0.13 0.00 0.00 42.46 41.34 1vpp s ILE 29 CO 0.27 -0.06 1.96 1.21 -1.91 0.00 0.00 174.94 176.42 1vpp n GLU 30 N 1.96 2.86 -4.77 3.50 2.13 -1.26 -2.07 120.64 122.98 1vpp n GLU 30 Ca -0.18 1.05 -0.26 0.00 0.66 0.00 0.00 57.16 58.43 1vpp n GLU 30 Cb 0.55 -3.00 -0.16 0.00 0.27 0.00 0.00 31.44 29.10 1vpp n GLU 30 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1vpp s THR 31 N 4.29 1.36 -0.54 6.31 2.01 0.63 -4.92 115.64 124.79 1vpp s THR 31 Ca 0.88 -0.65 -0.20 0.00 0.31 0.00 0.00 61.69 62.03 1vpp s THR 31 Cb -0.44 -1.19 0.06 0.00 0.01 0.00 0.00 72.50 70.93 1vpp s THR 31 CO 0.42 0.40 0.72 -0.76 -0.69 0.00 0.00 174.62 174.71 1vpp s LEU 32 N 0.26 4.80 -0.20 4.42 1.43 -1.26 -0.74 118.68 127.38 1vpp s LEU 32 Ca -0.08 -0.86 -0.08 0.00 -1.03 0.00 0.00 54.13 52.07 1vpp s LEU 32 Cb -0.13 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 1vpp s LEU 32 CO 0.03 -1.03 0.08 -0.69 0.23 0.00 0.00 176.35 174.98 1vpp s VAL 33 N 3.01 4.79 0.34 -1.59 1.01 -0.44 -4.88 120.40 122.63 1vpp s VAL 33 Ca 0.18 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 1vpp s VAL 33 Cb -0.18 -3.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.91 1vpp s VAL 33 CO 0.13 0.42 1.34 -1.81 0.00 0.00 0.00 175.10 175.17 1vpp s ASP 34 N 0.71 6.70 0.47 3.32 1.01 -1.26 -0.94 116.67 126.68 1vpp s ASP 34 Ca 0.04 2.75 0.17 0.00 0.71 0.00 0.00 52.55 56.22 1vpp s ASP 34 Cb -0.13 -2.65 1.13 0.00 1.01 0.00 0.00 42.92 42.28 1vpp s ASP 34 CO 0.02 -0.59 2.03 0.40 0.21 0.00 0.00 175.17 177.24 1vpp h ILE 35 N 3.05 1.01 0.00 0.77 2.04 -1.13 -1.76 117.51 121.48 1vpp h ILE 35 Ca -0.49 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 1vpp h ILE 35 Cb 1.23 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1vpp h ILE 35 CO 0.66 0.14 -0.02 2.19 0.00 0.00 0.00 178.15 181.12 1vpp h PHE 36 N 0.00 0.00 -0.85 1.37 -5.15 -1.78 0.23 116.94 110.76 1vpp h PHE 36 Ca -0.00 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.74 1vpp h PHE 36 Cb 0.27 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.40 1vpp h PHE 36 CO 0.00 0.02 0.41 1.96 -2.00 0.00 0.00 178.31 178.71 1vpp h GLN 37 N 0.00 1.22 0.00 6.09 1.08 -1.70 -2.63 115.11 119.17 1vpp h GLN 37 Ca -0.00 -0.17 -0.20 0.00 -1.45 0.00 0.00 58.65 56.82 1vpp h GLN 37 Cb 0.14 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 1vpp h GLN 37 CO 0.00 0.93 -1.49 0.39 -0.95 0.00 0.00 178.83 177.71 1vpp n GLU 38 N -4.31 0.62 -3.42 1.46 -0.58 -0.81 -4.59 120.64 109.01 1vpp n GLU 38 Ca 0.08 0.25 -0.26 0.00 -0.42 0.00 0.00 57.16 56.81 1vpp n GLU 38 Cb 0.14 -1.81 -0.08 0.00 -0.57 0.00 0.00 31.44 29.12 1vpp n GLU 38 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1vpp n TYR 39 N -2.94 2.16 0.09 -0.32 4.02 0.01 -4.97 117.16 115.21 1vpp n TYR 39 Ca -0.12 -3.95 -0.07 0.00 -0.01 0.00 0.00 57.90 53.75 1vpp n TYR 39 Cb 0.90 -0.45 0.01 0.00 -0.02 0.00 0.00 39.34 39.78 1vpp n TYR 39 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1vpp h PRO 40 N 4.41 0.15 -2.26 -0.72 0.13 -1.72 -3.35 132.00 128.64 1vpp h PRO 40 Ca 0.16 -0.16 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 1vpp h PRO 40 Cb 0.75 0.04 -0.16 0.00 0.13 0.00 0.00 31.00 31.77 1vpp h PRO 40 CO 0.68 0.90 1.24 -0.40 -0.23 0.00 0.00 178.00 180.19 1vpp n ASP 41 N -3.65 7.14 -2.83 1.44 5.75 -1.26 -4.46 116.55 118.69 1vpp n ASP 41 Ca -0.03 -3.19 -0.01 0.00 -0.01 0.00 0.00 54.79 51.56 1vpp n ASP 41 Cb 0.79 -1.28 0.05 0.00 -1.03 0.00 0.00 41.12 39.65 1vpp n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1vpp n GLU 42 N 1.21 1.69 0.29 0.11 -0.58 -1.26 -4.93 120.64 117.17 1vpp n GLU 42 Ca 0.54 -3.45 0.15 0.00 -0.42 0.00 0.00 57.16 53.99 1vpp n GLU 42 Cb 0.42 -1.55 0.85 0.00 -0.57 0.00 0.00 31.44 30.60 1vpp n GLU 42 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1vpp h ILE 43 N 5.43 0.48 0.00 -3.67 5.03 -1.90 -1.25 117.51 121.63 1vpp h ILE 43 Ca -0.14 -0.26 0.00 0.00 -0.12 0.00 0.00 64.86 64.34 1vpp h ILE 43 Cb 1.27 1.17 0.00 0.00 -3.03 0.00 0.00 36.82 36.23 1vpp h ILE 43 CO 0.19 0.05 0.00 -0.62 -0.68 0.00 0.00 178.15 177.09 1vpp n GLU 44 N -3.66 0.22 -4.34 2.37 1.02 -1.26 -4.81 120.64 110.17 1vpp n GLU 44 Ca -0.02 0.09 -0.28 0.00 -0.02 0.00 0.00 57.16 56.94 1vpp n GLU 44 Cb 0.16 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.97 1vpp n GLU 44 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1vpp s TYR 45 N -2.70 2.48 -0.15 -0.32 2.02 -0.47 -4.63 117.35 113.59 1vpp s TYR 45 Ca 0.18 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 1vpp s TYR 45 Cb 0.15 -1.25 -0.01 0.00 -0.40 0.00 0.00 41.96 40.44 1vpp s TYR 45 CO 0.35 0.47 -0.12 0.42 -1.57 0.00 0.00 175.55 175.10 1vpp s ILE 46 N -1.52 3.06 0.06 2.71 1.09 -0.00 -4.95 121.20 121.65 1vpp s ILE 46 Ca 0.21 -0.65 -0.02 0.00 -1.10 0.00 0.00 60.65 59.10 1vpp s ILE 46 Cb -0.09 -2.30 -0.04 0.00 -1.06 0.00 0.00 42.46 38.96 1vpp s ILE 46 CO 0.12 0.51 0.24 -0.36 -0.10 0.00 0.00 174.94 175.35 1vpp s PHE 47 N 0.58 3.52 -0.03 3.97 0.08 -1.26 0.81 117.98 125.66 1vpp s PHE 47 Ca -0.07 0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.32 1vpp s PHE 47 Cb -0.15 -1.83 0.03 0.00 -0.57 0.00 0.00 43.02 40.49 1vpp s PHE 47 CO 0.03 0.57 0.02 0.21 -0.10 0.00 0.00 175.22 175.95 1vpp s LYS 48 N -2.41 0.09 1.06 0.44 2.20 0.32 -3.36 119.74 118.08 1vpp s LYS 48 Ca 0.35 0.16 -0.12 0.00 -0.36 0.00 0.00 55.97 56.00 1vpp s LYS 48 Cb -0.13 -0.36 0.22 0.00 -1.51 0.00 0.00 37.83 36.05 1vpp s LYS 48 CO 0.25 -0.17 1.07 -1.25 -0.36 0.00 0.00 175.35 174.89 1vpp s PRO 49 N 1.14 -0.08 0.00 4.03 0.04 -1.26 -0.67 135.00 138.20 1vpp s PRO 49 Ca -0.08 1.01 0.25 0.00 0.04 0.00 0.00 61.00 62.22 1vpp s PRO 49 Cb -0.13 -1.64 0.76 0.00 0.04 0.00 0.00 34.50 33.53 1vpp s PRO 49 CO -0.03 -3.20 1.58 -1.13 0.04 0.00 0.00 177.00 174.26 1vpp n SER 50 N -4.57 2.01 -4.03 6.66 3.41 -1.21 -4.85 113.62 111.03 1vpp n SER 50 Ca 0.06 -1.69 -0.08 0.00 -0.26 0.00 0.00 58.87 56.91 1vpp n SER 50 Cb 0.54 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.36 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 -3.91 0.10 -0.35 0.00 -7.23 -0.12 -4.85 120.40 104.04 1vpp s VAL 52 Ca 0.07 -0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 59.16 1vpp s VAL 52 Cb 0.07 -0.29 0.02 0.00 0.56 0.00 0.00 36.38 36.74 1vpp s VAL 52 CO -0.10 -0.44 1.12 -2.16 -0.31 0.00 0.00 175.10 173.22 1vpp s PRO 53 N -1.34 3.98 0.06 4.82 0.04 -1.26 -1.33 135.00 139.96 1vpp s PRO 53 Ca -0.15 1.00 0.06 0.00 0.04 0.00 0.00 61.00 61.95 1vpp s PRO 53 Cb -0.09 -3.79 -0.03 0.00 0.04 0.00 0.00 34.50 30.64 1vpp s PRO 53 CO -0.00 -1.03 -0.16 -0.51 0.04 0.00 0.00 177.00 175.34 1vpp s LEU 54 N 3.92 2.22 -0.16 -3.56 1.43 0.08 -4.90 118.68 117.71 1vpp s LEU 54 Ca 0.47 -0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 52.74 1vpp s LEU 54 Cb -0.12 -0.65 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 1vpp s LEU 54 CO 0.20 0.01 1.09 -0.04 0.23 0.00 0.00 176.35 177.84 1vpp s MET 55 N -1.44 4.31 0.00 1.70 -1.94 -1.26 -0.27 119.30 120.41 1vpp s MET 55 Ca 0.02 1.46 0.01 0.00 -1.71 0.00 0.00 55.69 55.46 1vpp s MET 55 Cb -0.09 -3.62 -0.01 0.00 2.01 0.00 0.00 34.83 33.12 1vpp s MET 55 CO 0.02 -0.53 -0.03 1.03 -0.01 0.00 0.00 175.02 175.50 1vpp s ARG 56 N 2.78 0.23 0.24 2.03 1.81 -0.88 -0.49 118.95 124.67 1vpp s ARG 56 Ca 0.48 -0.21 -0.31 0.00 -1.72 0.00 0.00 55.73 53.97 1vpp s ARG 56 Cb -0.18 -0.16 -0.13 0.00 -0.45 0.00 0.00 34.95 34.03 1vpp s ARG 56 CO 0.13 0.04 1.45 0.00 -0.68 0.00 0.00 175.30 176.23 1vpp s GLY 58 N 0.36 -0.16 0.00 0.00 0.00 -0.42 -4.84 107.32 102.26 1vpp s GLY 58 Ca 0.68 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 45.27 1vpp s GLY 58 CO 0.49 -0.22 0.00 0.61 0.00 0.00 0.00 173.10 173.98 1vpp n GLY 59 N -0.34 -1.88 3.48 0.20 0.00 -1.26 -1.70 105.19 103.69 1vpp n GLY 59 Ca -0.11 -2.20 -0.23 0.00 0.00 0.00 0.00 46.02 43.48 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 1.31 0.00 -4.21 0.00 2.35 -2.00 -3.44 115.58 109.58 1vpp h ASN 62 Ca -0.44 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 54.76 1vpp h ASN 62 Cb 1.26 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.40 1vpp h ASN 62 CO 0.60 0.01 -0.83 -0.62 -1.65 0.00 0.00 177.43 174.95 1vpp s ASP 63 N -6.03 2.47 0.00 5.81 2.15 -1.26 -5.03 116.67 114.78 1vpp s ASP 63 Ca 0.05 -0.64 0.28 0.00 0.43 0.00 0.00 52.55 52.66 1vpp s ASP 63 Cb 0.06 -0.15 1.54 0.00 -0.30 0.00 0.00 42.92 44.07 1vpp s ASP 63 CO 0.63 0.07 1.98 1.21 -0.17 0.00 0.00 175.17 178.89 1vpp n GLU 64 N 1.27 0.64 -0.06 4.34 4.07 -1.26 -2.64 120.64 126.99 1vpp n GLU 64 Ca -0.19 0.02 0.12 0.00 -0.06 0.00 0.00 57.16 57.05 1vpp n GLU 64 Cb 0.54 -1.50 0.29 0.00 -0.06 0.00 0.00 31.44 30.71 1vpp n GLU 64 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1vpp n GLY 65 N 0.89 0.76 3.67 8.31 0.00 -1.26 -4.88 105.19 112.68 1vpp n GLY 65 Ca 0.17 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.78 3.34 0.00 0.99 1.43 -1.08 -0.99 118.68 120.58 1vpp s LEU 66 Ca 0.34 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1vpp s LEU 66 Cb 0.20 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1vpp s LEU 66 CO 0.30 0.09 0.00 -1.83 0.23 0.00 0.00 176.35 175.14 1vpp s GLU 67 N -2.96 0.12 -0.60 1.70 -1.05 0.56 -4.79 118.70 111.68 1vpp s GLU 67 Ca 0.28 -0.19 -0.25 0.00 -0.15 0.00 0.00 54.97 54.65 1vpp s GLU 67 Cb -0.09 0.04 0.04 0.00 -0.44 0.00 0.00 34.13 33.68 1vpp s GLU 67 CO 0.19 -0.02 1.05 0.00 0.95 0.00 0.00 175.26 177.43 1vpp s VAL 69 N 4.46 1.68 0.38 0.00 -7.23 -0.39 -4.87 120.40 114.42 1vpp s VAL 69 Ca 0.33 -2.19 -0.25 0.00 -1.81 0.00 0.00 61.98 58.07 1vpp s VAL 69 Cb -0.11 -2.12 -0.09 0.00 0.56 0.00 0.00 36.38 34.62 1vpp s VAL 69 CO 0.19 -0.54 1.05 -2.16 -0.31 0.00 0.00 175.10 173.34 1vpp s PRO 70 N -3.67 4.25 0.00 4.82 0.04 -1.26 -1.27 135.00 137.90 1vpp s PRO 70 Ca 0.24 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1vpp s PRO 70 Cb 0.00 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1vpp s PRO 70 CO 0.08 -0.07 0.41 0.25 0.04 0.00 0.00 177.00 177.70 1vpp n THR 71 N 0.14 0.00 -3.66 1.26 -2.24 -0.24 -4.86 114.28 104.69 1vpp n THR 71 Ca 0.04 -0.43 -0.10 0.00 -2.27 0.00 0.00 64.05 61.29 1vpp n THR 71 Cb 0.49 1.14 -0.08 0.00 -2.10 0.00 0.00 70.33 69.78 1vpp n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1vpp s GLU 72 N -0.04 0.67 0.06 -0.78 2.56 -1.20 -4.92 118.70 115.05 1vpp s GLU 72 Ca 0.00 1.02 -0.01 0.00 0.00 0.00 0.00 54.97 55.98 1vpp s GLU 72 Cb 0.00 0.19 -0.04 0.00 2.00 0.00 0.00 34.13 36.28 1vpp s GLU 72 CO 0.00 -0.13 -0.03 -1.21 -0.56 0.00 0.00 175.26 173.34 1vpp s GLU 73 N 1.11 0.65 0.16 4.30 2.02 -1.26 -0.25 118.70 125.44 1vpp s GLU 73 Ca -0.06 -1.25 -0.23 0.00 0.02 0.00 0.00 54.97 53.45 1vpp s GLU 73 Cb -0.05 0.18 0.08 0.00 0.10 0.00 0.00 34.13 34.44 1vpp s GLU 73 CO -0.11 -0.12 1.04 -1.54 0.02 0.00 0.00 175.26 174.56 1vpp s SER 74 N -2.94 -0.03 0.23 -0.19 1.04 -0.81 -4.88 113.70 106.12 1vpp s SER 74 Ca 0.09 -0.59 0.09 0.00 0.48 0.00 0.00 55.95 56.02 1vpp s SER 74 Cb 0.08 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1vpp s SER 74 CO -0.09 -0.92 -0.01 0.20 0.98 0.00 0.00 173.24 173.40 1vpp s ASN 75 N -3.32 4.58 -0.02 7.02 0.01 -1.26 -0.72 114.94 121.24 1vpp s ASN 75 Ca 0.20 -0.55 0.05 0.00 -0.71 0.00 0.00 52.86 51.84 1vpp s ASN 75 Cb -0.02 -0.89 -0.01 0.00 0.41 0.00 0.00 41.25 40.75 1vpp s ASN 75 CO 0.04 0.04 -0.16 -0.51 -1.51 0.00 0.00 177.10 175.01 1vpp s ILE 76 N -2.05 1.28 -0.19 0.60 2.07 0.49 -4.87 121.20 118.53 1vpp s ILE 76 Ca 0.29 -0.67 -0.08 0.00 -1.41 0.00 0.00 60.65 58.78 1vpp s ILE 76 Cb -0.08 -1.08 -0.04 0.00 0.13 0.00 0.00 42.46 41.39 1vpp s ILE 76 CO 0.19 0.37 0.08 -0.89 -1.91 0.00 0.00 174.94 172.78 1vpp s THR 77 N -0.19 4.96 0.05 4.00 2.01 -1.26 -0.99 115.64 124.22 1vpp s THR 77 Ca 0.02 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.09 1vpp s THR 77 Cb -0.08 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 1vpp s THR 77 CO 0.00 0.45 -0.11 -0.04 -0.69 0.00 0.00 174.62 174.23 1vpp s MET 78 N 0.43 0.66 -0.16 4.92 -1.94 -0.27 -4.97 119.30 117.97 1vpp s MET 78 Ca 0.05 -0.84 -0.25 0.00 -1.71 0.00 0.00 55.69 52.94 1vpp s MET 78 Cb -0.12 -0.54 -0.02 0.00 2.01 0.00 0.00 34.83 36.16 1vpp s MET 78 CO -0.00 0.11 0.80 -0.65 -0.01 0.00 0.00 175.02 175.27 1vpp s GLN 79 N -1.63 4.30 0.09 2.03 -0.21 -1.26 -1.17 119.66 121.81 1vpp s GLN 79 Ca -0.06 0.96 0.08 0.00 0.02 0.00 0.00 55.36 56.36 1vpp s GLN 79 Cb -0.10 -3.57 -0.03 0.00 1.00 0.00 0.00 33.01 30.31 1vpp s GLN 79 CO 0.01 -0.29 -0.21 0.42 -2.12 0.00 0.00 175.29 173.10 1vpp s ILE 80 N 2.01 1.74 -0.12 1.08 -1.09 -0.01 -4.93 121.20 119.88 1vpp s ILE 80 Ca 0.37 -1.50 -0.12 0.00 -2.23 0.00 0.00 60.65 57.16 1vpp s ILE 80 Cb -0.17 -1.57 -0.05 0.00 -1.58 0.00 0.00 42.46 39.10 1vpp s ILE 80 CO 0.13 -0.01 0.28 -0.32 -1.23 0.00 0.00 174.94 173.78 1vpp s MET 81 N -1.80 4.03 -0.21 2.79 -2.45 0.15 -0.88 119.30 120.94 1vpp s MET 81 Ca 0.07 0.09 0.01 0.00 -1.25 0.00 0.00 55.69 54.61 1vpp s MET 81 Cb -0.10 -3.34 0.03 0.00 1.25 0.00 0.00 34.83 32.67 1vpp s MET 81 CO 0.04 0.43 -0.16 0.50 1.05 0.00 0.00 175.02 176.88 1vpp s ARG 82 N -0.12 2.77 -0.16 4.11 3.52 0.92 -0.52 118.95 129.48 1vpp s ARG 82 Ca 0.17 -0.98 -0.07 0.00 -0.13 0.00 0.00 55.73 54.72 1vpp s ARG 82 Cb -0.13 -2.70 -0.04 0.00 -1.56 0.00 0.00 34.95 30.51 1vpp s ARG 82 CO 0.05 -0.33 0.08 0.42 -0.81 0.00 0.00 175.30 174.71 1vpp s ILE 83 N 1.24 4.94 -0.40 4.11 1.01 0.24 -1.80 121.20 130.55 1vpp s ILE 83 Ca 0.01 0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 1vpp s ILE 83 Cb -0.15 -3.20 0.06 0.00 0.01 0.00 0.00 42.46 39.17 1vpp s ILE 83 CO -0.10 0.50 0.23 -0.75 0.00 0.00 0.00 174.94 174.82 1vpp s LYS 84 N -0.04 2.68 0.01 2.79 2.36 -0.56 -0.82 119.74 126.15 1vpp s LYS 84 Ca 0.07 -1.30 -0.35 0.00 -2.55 0.00 0.00 55.97 51.83 1vpp s LYS 84 Cb -0.12 -3.74 -0.18 0.00 -1.05 0.00 0.00 37.83 32.75 1vpp s LYS 84 CO 0.01 -0.84 0.94 -2.30 1.55 0.00 0.00 175.35 174.70 1vpp n PRO 85 N 4.94 0.00 -0.75 4.03 -0.02 -1.26 -0.16 135.00 141.77 1vpp n PRO 85 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1vpp n PRO 85 Cb 0.44 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 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 1.29 0.00 -2.70 6.00 8.25 -1.26 -4.75 115.22 122.05 1vpp n HIS 86 Ca 0.18 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.58 1vpp n HIS 86 Cb 0.08 -1.61 0.04 0.00 1.12 0.00 0.00 29.99 29.62 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 -0.75 1.92 0.00 -0.41 1.13 0.77 -5.14 117.38 114.90 1vpp n GLN 87 Ca 0.00 -3.58 0.00 0.00 -1.94 0.00 0.00 57.00 51.48 1vpp n GLN 87 Cb 0.21 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 28.91 1vpp n GLN 87 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vpp n GLY 88 N -0.52 -1.19 3.48 1.08 0.00 -1.22 -4.55 105.19 102.27 1vpp n GLY 88 Ca 0.13 -1.19 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 1vpp n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1vpp s GLN 89 N 0.00 1.04 0.09 1.61 0.00 -1.26 -1.50 119.66 119.64 1vpp s GLN 89 Ca 0.00 0.15 0.07 0.00 -0.00 0.00 0.00 55.36 55.58 1vpp s GLN 89 Cb 0.00 0.49 -0.03 0.00 0.00 0.00 0.00 33.01 33.46 1vpp s GLN 89 CO 0.00 -0.33 -0.17 -1.01 0.00 0.00 0.00 175.29 173.78 1vpp s HIS 90 N -1.41 1.48 -0.07 9.60 3.76 -0.75 -4.96 115.29 122.95 1vpp s HIS 90 Ca -0.10 -0.46 -0.12 0.00 -0.15 0.00 0.00 55.06 54.23 1vpp s HIS 90 Cb -0.01 -0.81 -0.05 0.00 1.11 0.00 0.00 32.58 32.82 1vpp s HIS 90 CO 0.08 0.14 0.29 0.42 -0.85 0.00 0.00 174.74 174.81 1vpp s ILE 91 N -1.39 5.25 0.30 0.60 -1.09 -1.26 -0.06 121.20 123.55 1vpp s ILE 91 Ca 0.03 0.56 -0.07 0.00 -2.23 0.00 0.00 60.65 58.94 1vpp s ILE 91 Cb -0.09 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1vpp s ILE 91 CO 0.03 0.56 0.47 -0.83 -1.23 0.00 0.00 174.94 173.95 1vpp s GLY 92 N -0.81 1.04 -0.18 6.18 0.00 -0.06 -4.98 107.32 108.51 1vpp s GLY 92 Ca 0.19 -1.24 -0.12 0.00 0.00 0.00 0.00 44.72 43.56 1vpp s GLY 92 CO 0.08 -0.84 0.20 -0.54 0.00 0.00 0.00 173.10 172.00 1vpp s GLU 93 N -3.45 4.22 0.24 2.90 2.02 -1.26 -0.83 118.70 122.52 1vpp s GLU 93 Ca 0.27 -0.09 0.11 0.00 0.02 0.00 0.00 54.97 55.28 1vpp s GLU 93 Cb -0.00 -3.42 -0.05 0.00 0.10 0.00 0.00 34.13 30.76 1vpp s GLU 93 CO 0.15 0.28 -0.21 -1.64 0.02 0.00 0.00 175.26 173.85 1vpp s MET 94 N 0.40 1.58 -0.04 1.61 -1.94 -0.31 -4.95 119.30 115.65 1vpp s MET 94 Ca 0.11 -1.65 0.06 0.00 -1.71 0.00 0.00 55.69 52.50 1vpp s MET 94 Cb -0.12 -1.76 -0.01 0.00 2.01 0.00 0.00 34.83 34.95 1vpp s MET 94 CO 0.00 0.35 -0.21 0.45 -0.01 0.00 0.00 175.02 175.60 1vpp s SER 95 N -3.11 2.58 0.11 3.03 0.15 -1.26 -1.12 113.70 114.09 1vpp s SER 95 Ca 0.25 -0.42 0.05 0.00 0.70 0.00 0.00 55.95 56.53 1vpp s SER 95 Cb -0.06 -0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 63.61 1vpp s SER 95 CO 0.12 0.22 -0.13 -0.36 1.20 0.00 0.00 173.24 174.29 1vpp s PHE 96 N -0.18 1.28 0.09 3.44 0.08 -0.16 -4.92 117.98 117.60 1vpp s PHE 96 Ca -0.00 -0.59 -0.29 0.00 0.12 0.00 0.00 56.93 56.17 1vpp s PHE 96 Cb -0.11 -0.68 -0.06 0.00 -0.57 0.00 0.00 43.02 41.60 1vpp s PHE 96 CO 0.02 0.10 0.92 -1.17 -0.10 0.00 0.00 175.22 174.98 1vpp s LEU 97 N -2.46 4.48 0.15 -0.37 2.96 -1.26 -0.38 118.68 121.80 1vpp s LEU 97 Ca 0.08 1.70 0.06 0.00 -0.22 0.00 0.00 54.13 55.75 1vpp s LEU 97 Cb -0.04 -3.50 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 1vpp s LEU 97 CO 0.02 -0.06 -0.13 0.00 -1.32 0.00 0.00 176.35 174.86 1vpp s GLN 98 N 0.05 1.10 -0.23 1.98 -2.07 0.11 -4.84 119.66 115.76 1vpp s GLN 98 Ca 0.45 -1.36 -0.08 0.00 -1.82 0.00 0.00 55.36 52.55 1vpp s GLN 98 Cb -0.22 -0.89 -0.04 0.00 -1.09 0.00 0.00 33.01 30.76 1vpp s GLN 98 CO 0.28 0.16 0.10 -1.01 -1.32 0.00 0.00 175.29 173.50 1vpp s HIS 99 N -2.57 3.19 -0.09 9.60 3.76 0.36 -1.92 115.29 127.62 1vpp s HIS 99 Ca 0.14 -0.08 0.08 0.00 -0.15 0.00 0.00 55.06 55.05 1vpp s HIS 99 Cb -0.02 -2.22 -0.24 0.00 1.11 0.00 0.00 32.58 31.21 1vpp s HIS 99 CO 0.03 -0.10 0.50 0.09 -0.85 0.00 0.00 174.74 174.41 1vpp n ASN 100 N 4.42 1.10 -3.96 1.40 4.13 0.65 -4.59 115.26 118.41 1vpp n ASN 100 Ca -0.16 0.30 -0.09 0.00 1.68 0.00 0.00 54.58 56.31 1vpp n ASN 100 Cb 0.52 -0.14 -0.11 0.00 -1.54 0.00 0.00 39.78 38.51 1vpp n ASN 100 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1vpp s LYS 101 N -2.57 0.36 0.02 3.52 1.02 -1.11 -4.91 119.74 116.07 1vpp s LYS 101 Ca -0.10 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 1vpp s LYS 101 Cb 0.07 0.13 -0.02 0.00 -0.52 0.00 0.00 37.83 37.50 1vpp s LYS 101 CO 0.80 -0.07 -0.01 0.00 -0.92 0.00 0.00 175.35 175.16 1vpp s GLU 103 N -1.87 0.70 -0.36 0.00 2.12 -0.40 -4.85 118.70 114.05 1vpp s GLU 103 Ca -0.12 -0.78 -0.25 0.00 0.36 0.00 0.00 54.97 54.17 1vpp s GLU 103 Cb -0.07 0.28 0.01 0.00 0.26 0.00 0.00 34.13 34.62 1vpp s GLU 103 CO -0.02 -0.20 0.90 0.00 -0.54 0.00 0.00 175.26 175.40 1vpp s ARG 105 N 3.41 1.17 0.37 0.00 1.81 -0.17 -4.80 118.95 120.73 1vpp s ARG 105 Ca 0.37 -1.24 -0.27 0.00 -1.72 0.00 0.00 55.73 52.87 1vpp s ARG 105 Cb -0.12 -1.37 -0.11 0.00 -0.45 0.00 0.00 34.95 32.89 1vpp s ARG 105 CO 0.18 0.31 1.27 -2.30 -0.68 0.00 0.00 175.30 174.08 1vpp n PRO 106 N 0.84 2.04 0.21 3.54 -0.02 -1.26 -0.32 135.00 140.02 1vpp n PRO 106 Ca -0.18 0.72 0.05 0.00 -2.02 0.00 0.00 63.50 62.08 1vpp n PRO 106 Cb 0.55 -2.33 0.50 0.00 -0.02 0.00 0.00 33.50 32.19 1vpp n PRO 106 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1vpp h LYS 107 N 2.38 0.05 0.00 -0.52 1.57 -1.39 -3.45 116.57 115.21 1vpp h LYS 107 Ca -0.47 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1vpp h LYS 107 Cb 1.29 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1vpp h LYS 107 CO 0.62 0.19 0.00 1.17 -0.57 0.00 0.00 179.45 180.86