#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vow n PHE 2 N 0.00 -1.04 -3.64 2.03 3.72 -1.26 -5.03 117.46 112.24 1vow n PHE 2 Ca 0.00 -0.75 -0.14 0.00 -0.05 0.00 0.00 57.45 56.51 1vow n PHE 2 Cb 0.00 0.24 -0.07 0.00 -0.94 0.00 0.00 39.48 38.71 1vow n PHE 2 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vow s ALA 3 N -1.76 -1.72 0.00 4.37 0.00 -1.26 -4.87 121.76 116.53 1vow s ALA 3 Ca 0.08 1.97 0.00 0.00 0.00 0.00 0.00 51.96 54.02 1vow s ALA 3 Cb -0.01 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1vow s ALA 3 CO 0.06 -0.33 0.00 -0.89 0.00 0.00 0.00 175.76 174.60 1vow n ILE 4 N 2.76 0.00 -3.09 0.00 -0.00 -1.26 -3.74 119.36 114.03 1vow n ILE 4 Ca -0.14 0.00 0.03 0.00 -0.00 0.00 0.00 62.75 62.64 1vow n ILE 4 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 40.18 1vow n ILE 4 CO 0.00 0.00 0.00 2.30 -0.00 0.00 0.00 176.55 178.85 1vow n ILE 5 N 0.00 0.00 -1.52 1.39 -5.35 -1.26 -4.81 119.36 107.81 1vow n ILE 5 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1vow n ILE 5 Cb 0.00 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 37.81 1vow n ILE 5 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1vow n GLN 6 N -1.91 3.52 -0.78 6.28 0.00 -1.26 -4.76 117.38 118.47 1vow n GLN 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 1vow n GLN 6 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.36 1vow n GLN 6 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1vow n THR 7 N 0.00 -3.04 0.00 -0.39 -2.24 -1.26 -4.67 114.28 102.68 1vow n THR 7 Ca 0.00 1.14 0.00 0.00 -2.27 0.00 0.00 64.05 62.92 1vow n THR 7 Cb 0.00 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 66.36 1vow n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vow n GLY 8 N -0.39 1.38 0.00 3.38 0.00 -1.26 -4.72 105.19 103.58 1vow n GLY 8 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1vow n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vow n GLY 9 N 0.00 -0.90 3.03 -0.02 0.00 -1.26 -5.11 105.19 100.93 1vow n GLY 9 Ca 0.00 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 1vow n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vow s LYS 10 N -0.24 2.38 -0.45 1.61 2.36 -1.26 -4.65 119.74 119.49 1vow s LYS 10 Ca 0.00 -0.65 0.04 0.00 -2.55 0.00 0.00 55.97 52.81 1vow s LYS 10 Cb 0.00 -2.23 0.25 0.00 -1.05 0.00 0.00 37.83 34.80 1vow s LYS 10 CO 0.00 -0.26 0.98 0.94 1.55 0.00 0.00 175.35 178.56 1vow n GLN 11 N 4.73 0.60 -4.59 4.03 0.00 -1.26 -5.17 117.38 115.72 1vow n GLN 11 Ca -0.17 -1.46 -0.28 0.00 -0.00 0.00 0.00 57.00 55.08 1vow n GLN 11 Cb 0.49 -1.14 -0.08 0.00 0.00 0.00 0.00 30.24 29.52 1vow n GLN 11 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1vow s TYR 12 N 0.56 1.78 0.00 3.69 2.02 -1.26 -4.86 117.35 119.28 1vow s TYR 12 Ca 0.30 -1.25 0.00 0.00 -0.37 0.00 0.00 57.07 55.76 1vow s TYR 12 Cb 0.22 -1.26 0.00 0.00 -0.40 0.00 0.00 41.96 40.52 1vow s TYR 12 CO -0.20 -0.21 0.00 -2.13 -1.57 0.00 0.00 175.55 171.44 1vow n ARG 13 N -1.03 0.00 -1.50 -0.62 0.63 -1.25 -5.04 116.66 107.85 1vow n ARG 13 Ca -0.10 0.00 -0.51 0.00 -0.92 0.00 0.00 57.85 56.32 1vow n ARG 13 Cb 0.65 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.51 1vow n ARG 13 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1vow n VAL 14 N 0.00 1.06 0.00 5.15 0.31 -1.26 -4.12 118.33 119.46 1vow n VAL 14 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1vow n VAL 14 Cb 0.00 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 1vow n VAL 14 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1vow n SER 15 N 1.82 0.12 0.00 4.52 3.41 -1.26 -4.16 113.62 118.07 1vow n SER 15 Ca 0.17 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1vow n SER 15 Cb 0.20 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1vow n SER 15 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1vow n GLU 16 N -0.07 0.00 0.00 4.33 0.28 -1.26 -4.51 120.64 119.41 1vow n GLU 16 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.01 1vow n GLU 16 Cb 0.00 0.00 0.03 0.00 1.43 0.00 0.00 31.44 32.90 1vow n GLU 16 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vow n GLY 17 N 0.00 -0.54 2.67 -1.84 0.00 -1.26 -4.94 105.19 99.28 1vow n GLY 17 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1vow n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vow n ASP 18 N -1.51 -3.89 -4.02 1.61 8.00 -1.26 -5.04 116.55 110.44 1vow n ASP 18 Ca 0.00 1.38 -0.13 0.00 0.71 0.00 0.00 54.79 56.75 1vow n ASP 18 Cb 0.01 -5.25 -0.12 0.00 -0.02 0.00 0.00 41.12 35.74 1vow n ASP 18 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vow s VAL 19 N -1.10 0.42 0.29 2.53 1.01 -1.26 -5.13 120.40 117.16 1vow s VAL 19 Ca -0.16 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 1vow s VAL 19 Cb 0.01 -0.47 -0.10 0.00 0.00 0.00 0.00 36.38 35.82 1vow s VAL 19 CO 0.78 -0.25 1.37 -0.63 0.00 0.00 0.00 175.10 176.37 1vow s ILE 20 N -1.01 2.67 0.00 2.22 1.09 -1.26 -4.64 121.20 120.28 1vow s ILE 20 Ca -0.07 0.62 0.00 0.00 -1.10 0.00 0.00 60.65 60.10 1vow s ILE 20 Cb -0.08 -3.40 0.00 0.00 -1.06 0.00 0.00 42.46 37.93 1vow s ILE 20 CO 0.00 0.13 0.00 -1.14 -0.10 0.00 0.00 174.94 173.83 1vow n ARG 21 N 1.49 3.85 0.00 2.79 0.00 0.14 -4.95 116.66 119.98 1vow n ARG 21 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 1vow n ARG 21 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.87 1vow n ARG 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1vow n VAL 22 N 0.00 0.00 -3.60 5.15 0.31 -1.26 -3.31 118.33 115.62 1vow n VAL 22 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1vow n VAL 22 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1vow n VAL 22 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vow n GLU 23 N 0.00 0.00 -3.54 5.55 -0.58 -1.26 -0.78 120.64 120.03 1vow n GLU 23 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 1vow n GLU 23 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 1vow n GLU 23 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1vow s SER 24 N -0.94 -0.49 0.00 1.62 0.01 -1.26 -5.06 113.70 107.58 1vow s SER 24 Ca 0.00 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1vow s SER 24 Cb 0.00 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.75 1vow s SER 24 CO 0.00 -0.76 0.00 -0.11 0.41 0.00 0.00 173.24 172.78 1vow n LEU 25 N 0.29 0.00 -4.86 2.44 -0.00 -1.26 -4.78 117.00 108.83 1vow n LEU 25 Ca -0.18 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.52 1vow n LEU 25 Cb 0.61 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.00 1vow n LEU 25 CO 0.18 0.00 0.59 -1.58 -0.00 0.00 0.00 177.39 176.59 1vow s GLN 26 N 0.00 3.86 0.00 1.96 0.74 -1.26 -4.27 119.66 120.69 1vow s GLN 26 Ca 0.00 0.76 0.00 0.00 0.05 0.00 0.00 55.36 56.17 1vow s GLN 26 Cb 0.00 -2.23 0.00 0.00 1.10 0.00 0.00 33.01 31.88 1vow s GLN 26 CO 0.00 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 174.95 1vow n GLY 27 N -1.56 0.98 0.00 2.59 0.00 -1.26 -5.10 105.19 100.85 1vow n GLY 27 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1vow n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vow n GLU 28 N -2.03 1.63 -2.92 1.61 4.07 -1.26 -4.92 120.64 116.82 1vow n GLU 28 Ca 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.02 1vow n GLU 28 Cb 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.39 1vow n GLU 28 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1vow n ALA 29 N -3.00 -2.91 0.00 4.31 0.00 -1.26 -5.03 120.51 112.61 1vow n ALA 29 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.42 1vow n ALA 29 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.04 1vow n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vow n GLY 30 N -0.51 -1.09 4.21 0.00 0.00 -1.26 -5.07 105.19 101.47 1vow n GLY 30 Ca 0.09 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1vow n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vow n ASP 31 N 0.00 0.00 -3.79 1.61 8.00 -1.26 -4.35 116.55 116.76 1vow n ASP 31 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1vow n ASP 31 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 1vow n ASP 31 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1vow s LYS 32 N 0.00 0.27 0.00 -1.24 -0.14 -1.20 -3.51 119.74 113.91 1vow s LYS 32 Ca 0.00 0.34 0.00 0.00 -1.36 0.00 0.00 55.97 54.95 1vow s LYS 32 Cb 0.00 0.11 0.00 0.00 -1.68 0.00 0.00 37.83 36.26 1vow s LYS 32 CO 0.00 -0.04 0.00 0.28 -0.76 0.00 0.00 175.35 174.83 1vow n VAL 33 N 3.06 0.00 -0.82 3.17 0.31 -1.25 -4.96 118.33 117.84 1vow n VAL 33 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1vow n VAL 33 Cb 0.58 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 1vow n VAL 33 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vow n GLU 34 N -0.99 -2.31 -3.69 5.55 1.02 -1.26 -5.03 120.64 113.92 1vow n GLU 34 Ca 0.00 1.67 -0.14 0.00 -0.02 0.00 0.00 57.16 58.67 1vow n GLU 34 Cb 0.12 -1.85 -0.09 0.00 -0.02 0.00 0.00 31.44 29.61 1vow n GLU 34 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1vow s LEU 35 N -1.58 0.18 0.31 -4.62 1.98 -1.26 -5.05 118.68 108.64 1vow s LEU 35 Ca 0.00 0.71 -0.19 0.00 -2.89 0.00 0.00 54.13 51.76 1vow s LEU 35 Cb 0.00 1.72 0.04 0.00 0.66 0.00 0.00 46.19 48.60 1vow s LEU 35 CO 0.00 -0.31 0.77 -0.75 -1.89 0.00 0.00 176.35 174.16 1vow s LYS 36 N -0.39 1.91 0.00 1.98 2.47 -1.26 -4.37 119.74 120.09 1vow s LYS 36 Ca -0.05 -1.14 0.00 0.00 -1.56 0.00 0.00 55.97 53.22 1vow s LYS 36 Cb -0.03 0.60 0.00 0.00 -1.46 0.00 0.00 37.83 36.94 1vow s LYS 36 CO 0.03 -0.88 0.00 0.00 0.16 0.00 0.00 175.35 174.66 1vow n ALA 37 N -0.49 0.00 -3.81 3.13 0.00 -1.26 -5.17 120.51 112.90 1vow n ALA 37 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 1vow n ALA 37 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1vow n ALA 37 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1vow n LEU 38 N 0.00 0.00 -4.44 0.00 -0.00 -1.26 -5.01 117.00 106.28 1vow n LEU 38 Ca 0.00 -0.56 -0.24 0.00 -0.00 0.00 0.00 56.01 55.22 1vow n LEU 38 Cb 0.00 0.02 -0.08 0.00 -0.00 0.00 0.00 43.42 43.36 1vow n LEU 38 CO 0.00 -0.22 -0.16 -0.36 -0.00 0.00 0.00 177.39 176.65 1vow s PHE 39 N -0.86 1.77 0.03 1.47 0.08 0.18 -4.98 117.98 115.67 1vow s PHE 39 Ca 0.03 -1.43 0.00 0.00 0.12 0.00 0.00 56.93 55.65 1vow s PHE 39 Cb -0.00 -1.00 0.00 0.00 -0.57 0.00 0.00 43.02 41.45 1vow s PHE 39 CO 0.02 -0.51 0.00 0.28 -0.10 0.00 0.00 175.22 174.91 1vow n VAL 40 N -0.83 0.00 -3.63 -0.44 0.31 -1.26 -4.52 118.33 107.96 1vow n VAL 40 Ca -0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.11 1vow n VAL 40 Cb 0.64 -0.40 -0.02 0.00 -0.91 0.00 0.00 33.84 33.15 1vow n VAL 40 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1vow s GLY 41 N -4.39 1.69 0.33 2.92 0.00 -1.26 -3.53 107.32 103.07 1vow s GLY 41 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.16 1vow s GLY 41 CO 0.00 -1.48 0.00 0.61 0.00 0.00 0.00 173.10 172.23 1vow n GLY 42 N -1.51 -1.80 5.15 0.20 0.00 -1.26 -4.51 105.19 101.46 1vow n GLY 42 Ca -0.01 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1vow n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vow n GLU 43 N -3.17 0.00 0.00 1.61 4.07 -1.26 -4.58 120.64 117.31 1vow n GLU 43 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1vow n GLU 43 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1vow n GLU 43 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1vow n GLN 44 N 0.00 0.00 -2.14 5.31 1.13 -1.26 -0.12 117.38 120.30 1vow n GLN 44 Ca 0.00 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.69 1vow n GLN 44 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 1vow n GLN 44 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1vow n THR 45 N -0.37 2.85 -3.69 5.09 -1.04 -1.26 -4.06 114.28 111.80 1vow n THR 45 Ca 0.00 -2.88 -0.21 0.00 -2.04 0.00 0.00 64.05 58.92 1vow n THR 45 Cb 0.00 -2.30 0.03 0.00 -1.82 0.00 0.00 70.33 66.25 1vow n THR 45 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1vow n VAL 46 N 6.81 -4.53 -2.70 12.58 0.31 -1.25 -4.92 118.33 124.63 1vow n VAL 46 Ca 0.48 -0.50 -0.08 0.00 -0.01 0.00 0.00 64.34 64.23 1vow n VAL 46 Cb 0.45 -3.83 0.10 0.00 -0.91 0.00 0.00 33.84 29.66 1vow n VAL 46 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1vow n PHE 47 N -4.26 -1.93 -3.43 3.52 3.72 -0.05 -5.02 117.46 110.00 1vow n PHE 47 Ca -0.30 -2.08 -0.43 0.00 -0.05 0.00 0.00 57.45 54.59 1vow n PHE 47 Cb 0.68 1.29 -0.03 0.00 -0.94 0.00 0.00 39.48 40.48 1vow n PHE 47 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1vow s GLY 48 N -1.50 2.89 0.15 1.37 0.00 0.83 -4.56 107.32 106.51 1vow s GLY 48 Ca 0.23 -3.57 -0.10 0.00 0.00 0.00 0.00 44.72 41.28 1vow s GLY 48 CO -0.07 1.25 1.52 0.83 0.00 0.00 0.00 173.10 176.63 1vow h GLU 49 N 7.04 0.98 0.00 2.90 4.39 -1.95 -3.43 114.58 124.51 1vow h GLU 49 Ca 0.12 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1vow h GLU 49 Cb 0.94 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1vow h GLU 49 CO 0.84 1.13 0.00 -0.40 -1.16 0.00 0.00 179.01 179.43 1vow n ASP 50 N -4.09 0.00 -0.03 1.42 5.68 -1.26 -5.01 116.55 113.25 1vow n ASP 50 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1vow n ASP 50 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1vow n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1vow n ALA 51 N -3.00 0.68 -0.00 2.12 0.00 -1.23 -4.54 120.51 114.53 1vow n ALA 51 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vow n ALA 51 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vow n ALA 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1vow h GLY 52 N 0.00 0.00 -1.64 0.00 0.00 -1.88 -3.37 103.07 96.18 1vow h GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vow h GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1vow n LYS 53 N -2.39 0.99 -2.37 4.80 5.02 -1.26 -4.55 118.16 118.40 1vow n LYS 53 Ca -0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1vow n LYS 53 Cb 0.02 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1vow n LYS 53 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1vow n TYR 54 N 0.32 4.30 0.00 2.13 4.01 -1.26 -4.21 117.16 122.45 1vow n TYR 54 Ca 0.00 -2.93 0.00 0.00 -0.16 0.00 0.00 57.90 54.81 1vow n TYR 54 Cb 0.41 -2.54 0.00 0.00 -0.31 0.00 0.00 39.34 36.90 1vow n TYR 54 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1vow n THR 55 N 5.72 0.00 0.00 -0.72 -2.24 -1.26 0.48 114.28 116.25 1vow n THR 55 Ca 0.48 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 1vow n THR 55 Cb 0.43 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1vow n THR 55 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1vow n VAL 56 N 0.00 0.00 -3.70 2.28 0.31 -1.26 -4.57 118.33 111.40 1vow n VAL 56 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1vow n VAL 56 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1vow n VAL 56 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1vow s GLN 57 N 0.00 3.54 0.15 5.55 -1.52 -1.26 -5.11 119.66 121.01 1vow s GLN 57 Ca 0.00 -0.27 0.05 0.00 -1.95 0.00 0.00 55.36 53.19 1vow s GLN 57 Cb 0.00 -2.85 -0.04 0.00 -0.22 0.00 0.00 33.01 29.90 1vow s GLN 57 CO 0.00 0.43 0.11 0.00 -0.25 0.00 0.00 175.29 175.58 1vow s ALA 58 N -1.79 3.53 -0.27 6.09 0.00 -1.26 -5.02 121.76 123.04 1vow s ALA 58 Ca 0.39 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 1vow s ALA 58 Cb -0.11 -1.34 0.08 0.00 0.00 0.00 0.00 23.12 21.75 1vow s ALA 58 CO 0.28 0.55 0.06 -1.21 0.00 0.00 0.00 175.76 175.44 1vow s GLU 59 N -2.94 0.84 -0.28 0.00 2.02 -1.26 -4.94 118.70 112.14 1vow s GLU 59 Ca 0.30 -0.90 -0.28 0.00 0.02 0.00 0.00 54.97 54.12 1vow s GLU 59 Cb -0.10 -2.13 -0.05 0.00 0.10 0.00 0.00 34.13 31.95 1vow s GLU 59 CO 0.23 -0.84 2.23 0.54 0.02 0.00 0.00 175.26 177.43 1vow s VAL 60 N 1.64 3.04 0.79 2.63 0.11 -1.26 -4.87 120.40 122.47 1vow s VAL 60 Ca 0.05 0.04 -0.09 0.00 -2.93 0.00 0.00 61.98 59.04 1vow s VAL 60 Cb -0.17 -3.05 0.17 0.00 -1.53 0.00 0.00 36.38 31.79 1vow s VAL 60 CO -0.18 -0.04 1.08 1.33 -3.33 0.00 0.00 175.10 173.96 1vow n VAL 61 N 7.79 0.00 -4.24 2.04 0.24 -1.26 -4.31 118.33 118.59 1vow n VAL 61 Ca 0.31 -1.10 -0.24 0.00 -2.04 0.00 0.00 64.34 61.26 1vow n VAL 61 Cb 0.47 -1.31 -0.03 0.00 -1.47 0.00 0.00 33.84 31.50 1vow n VAL 61 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1vow n GLU 62 N -3.18 0.90 -3.21 7.34 4.71 -1.26 -4.39 120.64 121.54 1vow n GLU 62 Ca 0.15 -2.96 0.04 0.00 -0.01 0.00 0.00 57.16 54.38 1vow n GLU 62 Cb 0.53 0.57 -0.02 0.00 -1.01 0.00 0.00 31.44 31.51 1vow n GLU 62 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1vow s HIS 63 N -2.39 -1.34 0.00 -0.32 5.65 -1.26 -4.41 115.29 111.22 1vow s HIS 63 Ca 0.12 1.54 0.00 0.00 0.25 0.00 0.00 55.06 56.97 1vow s HIS 63 Cb -0.01 0.51 0.00 0.00 -1.18 0.00 0.00 32.58 31.90 1vow s HIS 63 CO 0.08 -0.72 0.00 0.41 -0.65 0.00 0.00 174.74 173.86 1vow n GLY 64 N 5.42 -0.07 0.25 1.59 0.00 -1.23 -3.27 105.19 107.88 1vow n GLY 64 Ca -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 1vow n GLY 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vow n ARG 65 N 0.00 0.13 0.00 1.61 0.00 -1.26 -4.38 116.66 112.76 1vow n ARG 65 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 1vow n ARG 65 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 32.46 31.81 1vow n ARG 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vow n GLY 66 N 1.94 3.11 2.99 5.14 0.00 -1.26 -4.35 105.19 112.76 1vow n GLY 66 Ca -0.03 0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1vow n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vow n LYS 67 N 0.00 3.05 0.00 1.61 3.00 0.14 -4.80 118.16 121.17 1vow n LYS 67 Ca 0.00 -4.53 0.00 0.00 -0.00 0.00 0.00 58.31 53.78 1vow n LYS 67 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 35.03 32.61 1vow n LYS 67 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1vow n LYS 68 N 1.89 0.00 -3.63 1.64 5.02 -1.26 -4.84 118.16 116.99 1vow n LYS 68 Ca 0.24 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.46 1vow n LYS 68 Cb 0.37 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.31 1vow n LYS 68 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1vow s ILE 69 N 0.00 0.00 -1.24 -0.18 1.10 -1.26 -4.49 121.20 115.13 1vow s ILE 69 Ca 0.00 0.00 -0.18 0.00 -0.51 0.00 0.00 60.65 59.96 1vow s ILE 69 Cb 0.00 -1.00 -0.01 0.00 0.15 0.00 0.00 42.46 41.60 1vow s ILE 69 CO 0.00 0.00 1.97 -1.22 -2.11 0.00 0.00 174.94 173.58 1vow n TYR 70 N 1.81 3.48 -1.87 3.50 4.02 -1.26 -4.95 117.16 121.88 1vow n TYR 70 Ca -0.11 -2.47 -0.41 0.00 -0.01 0.00 0.00 57.90 54.89 1vow n TYR 70 Cb 0.56 -2.44 -0.01 0.00 -0.02 0.00 0.00 39.34 37.43 1vow n TYR 70 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 1vow s ILE 71 N 5.14 2.21 0.16 -0.72 2.07 -1.26 -5.02 121.20 123.79 1vow s ILE 71 Ca 0.55 0.20 -0.02 0.00 -1.41 0.00 0.00 60.65 59.97 1vow s ILE 71 Cb 0.08 -3.13 0.01 0.00 0.13 0.00 0.00 42.46 39.55 1vow s ILE 71 CO 0.04 0.04 0.24 -1.14 -1.91 0.00 0.00 174.94 172.21 1vow n ARG 72 N 1.02 0.34 -0.04 3.50 3.00 -1.26 -5.12 116.66 118.11 1vow n ARG 72 Ca 0.03 -1.22 -0.07 0.00 -0.00 0.00 0.00 57.85 56.59 1vow n ARG 72 Cb 0.39 1.22 -0.03 0.00 0.00 0.00 0.00 32.46 34.04 1vow n ARG 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1vow n LYS 73 N -0.26 0.18 -0.23 -0.14 4.01 -1.26 -4.68 118.16 115.77 1vow n LYS 73 Ca -0.00 0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 1vow n LYS 73 Cb 0.26 -0.99 0.00 0.00 -0.51 0.00 0.00 35.03 33.80 1vow n LYS 73 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1vow n TYR 74 N -3.00 -0.64 -3.63 2.13 4.01 -1.26 -4.28 117.16 110.48 1vow n TYR 74 Ca -0.14 0.35 -0.11 0.00 -0.16 0.00 0.00 57.90 57.83 1vow n TYR 74 Cb 0.63 -1.01 -0.07 0.00 -0.31 0.00 0.00 39.34 38.58 1vow n TYR 74 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1vow s LYS 75 N -4.36 0.65 -0.12 -0.72 -2.85 -1.26 -4.90 119.74 106.18 1vow s LYS 75 Ca 0.00 0.79 -0.30 0.00 -1.00 0.00 0.00 55.97 55.46 1vow s LYS 75 Cb 0.00 0.31 0.09 0.00 -2.06 0.00 0.00 37.83 36.18 1vow s LYS 75 CO 0.00 -0.08 0.82 -1.12 0.10 0.00 0.00 175.35 175.07 1vow s SER 76 N 0.33 -0.55 0.00 0.03 0.01 -1.26 -5.18 113.70 107.09 1vow s SER 76 Ca 0.01 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.93 1vow s SER 76 Cb -0.05 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1vow s SER 76 CO -0.03 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1vow n GLY 77 N 1.02 4.06 2.84 3.44 0.00 -1.26 -4.90 105.19 110.39 1vow n GLY 77 Ca -0.15 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 1vow n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vow s VAL 78 N -0.80 1.04 -0.61 1.61 1.01 -1.26 -4.99 120.40 116.41 1vow s VAL 78 Ca 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.97 1vow s VAL 78 Cb 0.00 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.99 1vow s VAL 78 CO 0.00 -0.13 0.64 1.67 0.00 0.00 0.00 175.10 177.28 1vow n GLN 79 N 4.86 -1.81 0.00 2.72 -0.06 -1.26 -4.92 117.38 116.91 1vow n GLN 79 Ca -0.11 1.48 0.00 0.00 -2.00 0.00 0.00 57.00 56.38 1vow n GLN 79 Cb 0.46 -4.06 0.00 0.00 -4.06 0.00 0.00 30.24 22.57 1vow n GLN 79 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 1vow n TYR 80 N -1.19 0.00 -4.02 3.69 4.19 -1.26 -5.16 117.16 113.41 1vow n TYR 80 Ca -0.06 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.06 1vow n TYR 80 Cb 0.58 0.00 -0.11 0.00 0.49 0.00 0.00 39.34 40.30 1vow n TYR 80 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 1vow s ARG 81 N 0.77 0.42 -0.25 2.98 3.52 -1.26 -5.16 118.95 119.98 1vow s ARG 81 Ca 0.00 -0.79 -0.08 0.00 -0.13 0.00 0.00 55.73 54.73 1vow s ARG 81 Cb 0.00 0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.42 1vow s ARG 81 CO 0.00 -0.05 0.09 1.03 -0.81 0.00 0.00 175.30 175.56 1vow s ARG 82 N -2.09 3.72 0.00 5.12 3.00 -1.26 -4.90 118.95 122.53 1vow s ARG 82 Ca -0.09 -0.45 0.00 0.00 0.00 0.00 0.00 55.73 55.19 1vow s ARG 82 Cb -0.06 -3.36 0.00 0.00 0.00 0.00 0.00 34.95 31.53 1vow s ARG 82 CO -0.03 -0.16 0.00 2.89 0.00 0.00 0.00 175.30 178.00 1vow n ARG 83 N 4.86 0.00 -1.30 3.54 0.00 -1.26 -5.18 116.66 117.32 1vow n ARG 83 Ca -0.16 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.76 1vow n ARG 83 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 32.46 32.94 1vow n ARG 83 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1vow n THR 84 N 0.00 -1.31 0.00 8.89 -2.24 -1.26 -4.93 114.28 113.43 1vow n THR 84 Ca 0.00 0.85 0.00 0.00 -2.27 0.00 0.00 64.05 62.63 1vow n THR 84 Cb 0.00 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 1vow n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vow n GLY 85 N -3.30 2.57 3.09 3.38 0.00 -1.26 -4.97 105.19 104.69 1vow n GLY 85 Ca -0.04 0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 1vow n GLY 85 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vow s HIS 86 N -0.25 -1.41 0.29 1.61 3.76 -1.26 -5.15 115.29 112.88 1vow s HIS 86 Ca 0.00 0.16 -0.11 0.00 -0.15 0.00 0.00 55.06 54.96 1vow s HIS 86 Cb 0.00 0.14 -0.09 0.00 1.11 0.00 0.00 32.58 33.74 1vow s HIS 86 CO 0.00 -1.11 -0.05 -2.13 -0.85 0.00 0.00 174.74 170.60 1vow n ARG 87 N 4.59 0.00 -2.93 1.40 0.63 -1.26 -4.92 116.66 114.17 1vow n ARG 87 Ca 0.09 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.59 1vow n ARG 87 Cb 0.54 -0.59 -0.03 0.00 0.45 0.00 0.00 32.46 32.82 1vow n ARG 87 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1vow s GLN 88 N -0.59 3.35 0.00 -0.14 0.74 -1.26 -4.92 119.66 116.83 1vow s GLN 88 Ca 0.34 -1.38 0.00 0.00 0.05 0.00 0.00 55.36 54.37 1vow s GLN 88 Cb -0.31 -4.58 0.00 0.00 1.10 0.00 0.00 33.01 29.22 1vow s GLN 88 CO 0.39 -1.75 0.75 0.09 -0.55 0.00 0.00 175.29 174.21 1vow n ASN 89 N 6.91 0.04 -4.42 6.67 3.02 -1.26 -4.91 115.26 121.31 1vow n ASN 89 Ca 0.09 -1.53 -0.37 0.00 -0.03 0.00 0.00 54.58 52.74 1vow n ASN 89 Cb 0.47 -0.02 0.05 0.00 -0.61 0.00 0.00 39.78 39.67 1vow n ASN 89 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1vow n PHE 90 N -0.47 -1.25 -0.09 3.10 7.35 -1.26 -4.99 117.46 119.86 1vow n PHE 90 Ca 0.00 0.38 -0.18 0.00 -0.76 0.00 0.00 57.45 56.88 1vow n PHE 90 Cb 0.01 -1.88 -0.06 0.00 0.35 0.00 0.00 39.48 37.90 1vow n PHE 90 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1vow n THR 91 N -2.04 1.07 -2.88 -2.13 -1.04 -1.26 -4.71 114.28 101.28 1vow n THR 91 Ca 0.10 -0.20 -0.08 0.00 -2.04 0.00 0.00 64.05 61.82 1vow n THR 91 Cb 0.49 -1.79 0.01 0.00 -1.82 0.00 0.00 70.33 67.22 1vow n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vow n ALA 92 N -3.87 -3.05 -1.00 2.41 0.00 -1.15 -2.89 120.51 110.97 1vow n ALA 92 Ca -0.34 0.91 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1vow n ALA 92 Cb 0.71 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.27 1vow n ALA 92 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1vow n ILE 93 N 0.01 0.00 -0.03 0.00 5.41 0.03 0.26 119.36 125.04 1vow n ILE 93 Ca 0.07 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.76 1vow n ILE 93 Cb 0.37 -0.80 -0.03 0.00 -0.71 0.00 0.00 39.64 38.47 1vow n ILE 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1vow n LYS 94 N -1.32 0.15 -2.70 0.38 4.81 -1.26 0.27 118.16 118.49 1vow n LYS 94 Ca 0.00 0.05 -0.03 0.00 -0.87 0.00 0.00 58.31 57.46 1vow n LYS 94 Cb 0.00 -0.88 -0.03 0.00 0.02 0.00 0.00 35.03 34.15 1vow n LYS 94 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1vow n ILE 95 N -3.08-11.46 0.31 3.15 2.08 -1.26 -3.94 119.36 105.15 1vow n ILE 95 Ca -0.12 2.22 -0.17 0.00 0.56 0.00 0.00 62.75 65.23 1vow n ILE 95 Cb 0.60 -6.29 -0.09 0.00 -0.75 0.00 0.00 39.64 33.12 1vow n ILE 95 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 1vow h LEU 96 N 3.82 -1.05 -0.51 1.39 7.12 -1.92 -3.44 115.31 120.71 1vow h LEU 96 Ca -0.32 0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.76 1vow h LEU 96 Cb 0.77 0.33 0.00 0.00 -0.53 0.00 0.00 40.66 41.23 1vow h LEU 96 CO 0.04 -0.59 -0.50 0.61 -0.13 0.00 0.00 178.44 177.87 1vow n GLY 97 N -1.52 -3.79 3.49 3.75 0.00 -1.26 -4.83 105.19 101.03 1vow n GLY 97 Ca -0.12 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 1vow n GLY 97 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vow s ILE 98 N -3.21 -0.07 0.87 -0.61 2.07 -1.26 -4.79 121.20 114.19 1vow s ILE 98 Ca 0.00 0.04 -0.15 0.00 -1.41 0.00 0.00 60.65 59.13 1vow s ILE 98 Cb 0.00 -0.84 -0.02 0.00 0.13 0.00 0.00 42.46 41.73 1vow s ILE 98 CO 0.00 0.02 0.26 0.00 -1.91 0.00 0.00 174.94 173.31 1vow n GLN 99 N 4.38 -0.04 0.00 3.50 0.00 -1.26 -4.53 117.38 119.43 1vow n GLN 99 Ca -0.21 0.03 0.00 0.00 0.00 0.00 0.00 57.00 56.82 1vow n GLN 99 Cb 0.57 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 29.11 1vow n GLN 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47