#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsp n PHE 2 N 0.00 -1.45 0.00 1.12 3.72 -1.21 -4.85 117.46 114.79 1vsp n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1vsp n PHE 2 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1vsp n PHE 2 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vsp n ALA 3 N -2.93 0.00 -2.59 4.37 0.00 -1.23 -3.75 120.51 114.38 1vsp n ALA 3 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1vsp n ALA 3 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1vsp n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vsp s ILE 4 N -1.59 0.32 0.23 0.00 1.09 -1.13 -2.93 121.20 117.19 1vsp s ILE 4 Ca 0.00 -1.35 -0.23 0.00 -1.10 0.00 0.00 60.65 57.98 1vsp s ILE 4 Cb 0.00 -0.90 0.04 0.00 -1.06 0.00 0.00 42.46 40.54 1vsp s ILE 4 CO 0.00 -0.67 0.78 0.54 -0.10 0.00 0.00 174.94 175.49 1vsp s VAL 5 N -2.45 0.00 -0.13 2.92 0.11 -1.19 -3.30 120.40 116.36 1vsp s VAL 5 Ca -0.04 -0.79 0.01 0.00 -2.93 0.00 0.00 61.98 58.23 1vsp s VAL 5 Cb -0.03 -1.88 -0.00 0.00 -1.53 0.00 0.00 36.38 32.94 1vsp s VAL 5 CO -0.04 0.00 -0.18 -1.59 -3.33 0.00 0.00 175.10 169.96 1vsp s LYS 6 N -3.70 3.18 -0.73 1.54 -2.85 -1.26 -2.79 119.74 113.13 1vsp s LYS 6 Ca 0.10 -0.79 -0.02 0.00 -1.00 0.00 0.00 55.97 54.27 1vsp s LYS 6 Cb -0.04 -2.51 0.41 0.00 -2.06 0.00 0.00 37.83 33.62 1vsp s LYS 6 CO 0.03 0.10 1.98 -2.37 0.10 0.00 0.00 175.35 175.19 1vsp n THR 7 N 3.80 3.55 -0.95 3.79 5.66 -1.08 -4.82 114.28 124.24 1vsp n THR 7 Ca -0.19 -3.62 0.00 0.00 -3.05 0.00 0.00 64.05 57.19 1vsp n THR 7 Cb 0.52 -1.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.11 1vsp n THR 7 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1vsp n GLY 8 N -0.74 -0.29 3.56 1.09 0.00 -1.26 -4.66 105.19 102.90 1vsp n GLY 8 Ca 0.58 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 1vsp n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsp n GLY 9 N -0.29 -0.50 3.15 -0.02 0.00 -1.26 -5.00 105.19 101.26 1vsp n GLY 9 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1vsp n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsp s LYS 10 N -5.59 0.51 -0.25 1.61 1.02 -1.26 -5.16 119.74 110.63 1vsp s LYS 10 Ca 0.11 0.52 -0.10 0.00 0.02 0.00 0.00 55.97 56.52 1vsp s LYS 10 Cb -0.02 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.48 1vsp s LYS 10 CO 0.78 -0.94 0.15 -0.65 -0.92 0.00 0.00 175.35 173.77 1vsp s GLN 11 N 2.85 3.98 0.17 1.68 -0.21 -1.26 -2.64 119.66 124.23 1vsp s GLN 11 Ca 0.12 -0.31 0.06 0.00 0.02 0.00 0.00 55.36 55.25 1vsp s GLN 11 Cb -0.09 -3.52 -0.04 0.00 1.00 0.00 0.00 33.01 30.35 1vsp s GLN 11 CO -0.25 -0.01 -0.13 0.71 -2.12 0.00 0.00 175.29 173.49 1vsp s TYR 12 N 1.25 1.50 -0.22 0.91 4.12 -1.12 -5.00 117.35 118.79 1vsp s TYR 12 Ca 0.07 -0.65 -0.05 0.00 0.02 0.00 0.00 57.07 56.46 1vsp s TYR 12 Cb -0.14 -0.73 0.08 0.00 -1.52 0.00 0.00 41.96 39.65 1vsp s TYR 12 CO 0.06 0.23 0.11 -0.98 0.02 0.00 0.00 175.55 174.98 1vsp s ARG 13 N -3.60 0.13 -0.12 -0.62 3.03 -1.26 -3.16 118.95 113.35 1vsp s ARG 13 Ca 0.19 -0.28 -0.01 0.00 2.03 0.00 0.00 55.73 57.66 1vsp s ARG 13 Cb 0.00 -1.56 -0.02 0.00 -1.03 0.00 0.00 34.95 32.34 1vsp s ARG 13 CO 0.04 -0.82 -0.09 0.14 -1.13 0.00 0.00 175.30 173.44 1vsp s VAL 14 N 2.11 3.46 0.00 4.99 -7.23 -1.15 -4.85 120.40 117.74 1vsp s VAL 14 Ca 0.05 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 1vsp s VAL 14 Cb -0.16 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1vsp s VAL 14 CO -0.21 0.53 0.00 -0.62 -0.31 0.00 0.00 175.10 174.49 1vsp n GLU 15 N 3.22 0.00 -0.09 4.82 1.02 -1.26 -4.22 120.64 124.12 1vsp n GLU 15 Ca -0.18 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.80 1vsp n GLU 15 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.87 1vsp n GLU 15 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1vsp n PRO 16 N 0.00 0.42 -3.11 3.49 -0.04 -1.26 -4.83 135.00 129.67 1vsp n PRO 16 Ca 0.00 0.14 -0.18 0.00 -0.04 0.00 0.00 63.50 63.42 1vsp n PRO 16 Cb 0.00 -1.27 -0.02 0.00 -0.04 0.00 0.00 33.50 32.17 1vsp n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vsp n GLY 17 N 2.24 2.80 3.87 0.55 0.00 -1.26 -3.52 105.19 109.87 1vsp n GLY 17 Ca -0.34 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 1vsp n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vsp s LEU 18 N -1.89 2.56 0.00 0.99 2.01 -1.26 -4.84 118.68 116.26 1vsp s LEU 18 Ca 0.36 -1.37 0.00 0.00 0.01 0.00 0.00 54.13 53.12 1vsp s LEU 18 Cb 0.28 -1.04 0.00 0.00 0.01 0.00 0.00 46.19 45.43 1vsp s LEU 18 CO -0.10 -1.05 0.00 1.17 1.01 0.00 0.00 176.35 177.38 1vsp n LYS 19 N -1.64 0.00 0.00 1.70 3.00 -1.26 -3.34 118.16 116.62 1vsp n LYS 19 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1vsp n LYS 19 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.68 1vsp n LYS 19 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1vsp n LEU 20 N 0.00 0.00 -4.10 3.14 -0.00 -1.26 -4.88 117.00 109.90 1vsp n LEU 20 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 1vsp n LEU 20 Cb 0.00 0.22 -0.09 0.00 -0.00 0.00 0.00 43.42 43.55 1vsp n LEU 20 CO 0.00 -0.22 -0.23 -0.13 -0.00 0.00 0.00 177.39 176.81 1vsp s ARG 21 N -1.67 0.97 0.00 1.47 0.52 -1.22 -4.32 118.95 114.70 1vsp s ARG 21 Ca 0.00 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 53.84 1vsp s ARG 21 Cb 0.00 0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.74 1vsp s ARG 21 CO 0.00 -0.29 0.00 1.55 0.02 0.00 0.00 175.30 176.58 1vsp n VAL 22 N -0.12 0.00 0.00 3.52 3.14 -1.26 -4.91 118.33 118.70 1vsp n VAL 22 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1vsp n VAL 22 Cb 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.41 1vsp n VAL 22 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1vsp n GLU 23 N 0.00 0.00 0.00 1.45 -0.00 -1.26 -4.79 120.64 116.04 1vsp n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1vsp n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1vsp n GLU 23 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1vsp n LYS 24 N 0.00 0.00 -4.11 3.44 0.00 -1.26 -2.77 118.16 113.46 1vsp n LYS 24 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.17 1vsp n LYS 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1vsp n LYS 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1vsp s LEU 25 N 0.00 1.03 0.00 3.14 1.02 -1.26 -5.10 118.68 117.51 1vsp s LEU 25 Ca 0.00 -1.44 0.00 0.00 0.02 0.00 0.00 54.13 52.71 1vsp s LEU 25 Cb 0.00 1.28 0.00 0.00 0.02 0.00 0.00 46.19 47.49 1vsp s LEU 25 CO 0.00 -1.20 0.00 0.47 0.02 0.00 0.00 176.35 175.64 1vsp n ASP 26 N -1.18 0.00 -2.21 2.29 8.00 -1.26 -5.00 116.55 117.19 1vsp n ASP 26 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1vsp n ASP 26 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1vsp n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vsp n ALA 27 N -3.00 -1.63 -0.99 2.24 0.00 -1.26 -4.88 120.51 111.00 1vsp n ALA 27 Ca 0.00 0.31 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 1vsp n ALA 27 Cb 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 18.33 1vsp n ALA 27 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1vsp n GLU 28 N 1.91 0.00 0.00 0.00 0.28 -1.26 -4.95 120.64 116.62 1vsp n GLU 28 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1vsp n GLU 28 Cb 0.00 -0.79 0.00 0.00 1.43 0.00 0.00 31.44 32.08 1vsp n GLU 28 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1vsp n PRO 29 N 1.18 2.57 -2.06 3.44 -0.02 -1.26 -4.57 135.00 134.29 1vsp n PRO 29 Ca 0.06 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.14 1vsp n PRO 29 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.82 1vsp n PRO 29 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1vsp s GLY 30 N 0.00 0.50 0.00 -1.23 0.00 -1.26 -3.64 107.32 101.69 1vsp s GLY 30 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1vsp s GLY 30 CO 0.00 3.30 0.00 0.00 0.00 0.00 0.00 173.10 176.40 1vsp n ALA 31 N 11.48 0.00 -2.48 3.20 0.00 -1.25 -4.90 120.51 126.55 1vsp n ALA 31 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.34 1vsp n ALA 31 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 1vsp n ALA 31 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1vsp s THR 32 N 0.00 4.99 -0.15 0.00 -1.32 -1.24 -5.00 115.64 112.91 1vsp s THR 32 Ca 0.00 0.30 0.01 0.00 -1.21 0.00 0.00 61.69 60.78 1vsp s THR 32 Cb 0.00 -3.65 0.00 0.00 -1.51 0.00 0.00 72.50 67.34 1vsp s THR 32 CO 0.00 -0.14 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.42 1vsp s VAL 33 N -1.88 2.51 0.31 5.08 1.01 -1.26 -3.13 120.40 123.04 1vsp s VAL 33 Ca 0.46 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1vsp s VAL 33 Cb -0.11 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 1vsp s VAL 33 CO 0.24 0.52 0.37 -1.61 0.00 0.00 0.00 175.10 174.63 1vsp s GLU 34 N 0.84 1.74 -0.30 2.72 0.41 -1.21 -5.07 118.70 117.84 1vsp s GLU 34 Ca -0.05 -1.76 -0.19 0.00 -0.41 0.00 0.00 54.97 52.55 1vsp s GLU 34 Cb -0.15 0.39 0.20 0.00 -1.78 0.00 0.00 34.13 32.79 1vsp s GLU 34 CO -0.01 -0.68 1.32 -0.48 -0.49 0.00 0.00 175.26 174.92 1vsp s LEU 35 N -3.24 -0.07 0.00 1.80 2.34 -1.26 -3.27 118.68 114.97 1vsp s LEU 35 Ca 0.34 0.12 0.00 0.00 0.06 0.00 0.00 54.13 54.65 1vsp s LEU 35 Cb 0.01 1.11 0.00 0.00 -0.56 0.00 0.00 46.19 46.76 1vsp s LEU 35 CO 0.20 -0.02 0.00 -0.81 -1.06 0.00 0.00 176.35 174.66 1vsp n PRO 36 N 2.55 2.83 -4.26 1.48 -0.04 -1.26 -4.99 135.00 131.30 1vsp n PRO 36 Ca -0.15 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.03 1vsp n PRO 36 Cb 0.56 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.93 1vsp n PRO 36 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1vsp s VAL 37 N 4.93 3.20 0.46 0.52 -7.23 -1.26 -3.62 120.40 117.40 1vsp s VAL 37 Ca 0.00 -1.47 0.07 0.00 -1.81 0.00 0.00 61.98 58.77 1vsp s VAL 37 Cb 0.00 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.41 1vsp s VAL 37 CO 0.00 0.02 0.37 -1.48 -0.31 0.00 0.00 175.10 173.70 1vsp s LEU 38 N -2.45 3.11 -0.17 1.32 0.05 -1.26 -4.70 118.68 114.58 1vsp s LEU 38 Ca 0.22 -0.97 -0.17 0.00 0.05 0.00 0.00 54.13 53.26 1vsp s LEU 38 Cb -0.10 -1.66 -0.06 0.00 -2.05 0.00 0.00 46.19 42.33 1vsp s LEU 38 CO 0.14 -0.81 -0.33 0.00 -0.55 0.00 0.00 176.35 174.80 1vsp n LEU 39 N -1.59 1.88 0.00 1.48 -0.00 -1.21 -4.39 117.00 113.17 1vsp n LEU 39 Ca 0.02 0.32 0.00 0.00 -0.00 0.00 0.00 56.01 56.34 1vsp n LEU 39 Cb 0.63 -0.72 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 1vsp n LEU 39 CO 0.42 -0.29 0.00 0.00 -0.00 0.00 0.00 177.39 177.52 1vsp n LEU 40 N -4.39 0.00 0.00 1.47 -0.00 -1.26 -4.65 117.00 108.17 1vsp n LEU 40 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 1vsp n LEU 40 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 1vsp n LEU 40 CO 0.20 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.20 1vsp n GLY 41 N -0.28 0.33 3.73 1.47 0.00 -1.26 -4.60 105.19 104.58 1vsp n GLY 41 Ca 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 1vsp n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vsp s GLY 42 N 0.00 0.53 0.43 -0.02 0.00 -1.25 -2.83 107.32 104.19 1vsp s GLY 42 Ca 0.00 -0.84 0.07 0.00 0.00 0.00 0.00 44.72 43.95 1vsp s GLY 42 CO 0.00 -0.44 0.29 1.85 0.00 0.00 0.00 173.10 174.80 1vsp s GLU 43 N -2.92 2.37 0.00 2.90 2.56 -1.26 -4.60 118.70 117.75 1vsp s GLU 43 Ca 0.18 -1.72 0.00 0.00 0.00 0.00 0.00 54.97 53.43 1vsp s GLU 43 Cb -0.04 -2.17 0.00 0.00 2.00 0.00 0.00 34.13 33.92 1vsp s GLU 43 CO 0.12 -0.21 0.00 1.63 -0.56 0.00 0.00 175.26 176.24 1vsp n LYS 44 N -1.44 0.00 0.00 4.30 5.02 -1.26 -3.31 118.16 121.47 1vsp n LYS 44 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1vsp n LYS 44 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.64 1vsp n LYS 44 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1vsp n THR 45 N -0.20 0.00 -3.15 -0.18 -1.04 -1.26 -3.25 114.28 105.21 1vsp n THR 45 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 1vsp n THR 45 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1vsp n THR 45 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1vsp n VAL 46 N 0.00 -0.75 0.00 12.58 0.31 -1.26 -5.10 118.33 124.10 1vsp n VAL 46 Ca 0.00 -2.60 0.00 0.00 -0.01 0.00 0.00 64.34 61.73 1vsp n VAL 46 Cb 0.00 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 1vsp n VAL 46 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1vsp n VAL 47 N 2.74 0.00 -0.89 2.52 3.14 -1.20 -5.00 118.33 119.64 1vsp n VAL 47 Ca 0.25 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.63 1vsp n VAL 47 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 1vsp n VAL 47 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1vsp n GLY 48 N 5.00 0.60 2.78 7.55 0.00 -1.26 -5.04 105.19 114.81 1vsp n GLY 48 Ca 0.00 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 1vsp n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1vsp n THR 49 N -2.84 1.32 0.00 2.61 -1.04 -1.26 -4.97 114.28 108.11 1vsp n THR 49 Ca 0.00 -4.71 0.00 0.00 -2.04 0.00 0.00 64.05 57.30 1vsp n THR 49 Cb 0.08 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 66.48 1vsp n THR 49 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1vsp n PRO 50 N 1.94 0.00 0.00 -2.82 -0.04 -1.26 -4.91 135.00 127.91 1vsp n PRO 50 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1vsp n PRO 50 Cb 0.38 -0.24 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 1vsp n PRO 50 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1vsp n VAL 51 N -0.82 0.00 -0.46 0.52 0.31 -1.26 -4.22 118.33 112.40 1vsp n VAL 51 Ca 0.00 0.00 0.38 0.00 -0.01 0.00 0.00 64.34 64.71 1vsp n VAL 51 Cb 0.00 0.00 0.68 0.00 -0.91 0.00 0.00 33.84 33.61 1vsp n VAL 51 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1vsp h VAL 52 N 0.00 0.19 0.00 2.52 2.07 -1.98 -3.45 116.25 115.60 1vsp h VAL 52 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1vsp h VAL 52 Cb 0.00 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1vsp h VAL 52 CO 0.00 0.02 0.00 1.21 0.02 0.00 0.00 177.57 178.82 1vsp n GLU 53 N -4.48 0.00 0.00 1.57 4.07 -1.26 -5.02 120.64 115.53 1vsp n GLU 53 Ca 0.35 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.45 1vsp n GLU 53 Cb 1.44 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.82 1vsp n GLU 53 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1vsp n GLY 54 N 0.00 1.83 0.00 8.31 0.00 -1.26 -4.52 105.19 109.55 1vsp n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vsp n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsp n ALA 55 N -1.65 1.41 -2.86 4.61 0.00 -1.26 -4.46 120.51 116.30 1vsp n ALA 55 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1vsp n ALA 55 Cb 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 1vsp n ALA 55 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1vsp s SER 56 N -1.93 6.37 0.00 0.00 1.04 -1.26 -4.70 113.70 113.22 1vsp s SER 56 Ca 0.00 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1vsp s SER 56 Cb 0.00 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.15 1vsp s SER 56 CO 0.00 0.05 0.00 0.52 0.98 0.00 0.00 173.24 174.79 1vsp n VAL 57 N -0.34 0.00 -0.10 5.02 0.31 -1.26 -4.75 118.33 117.21 1vsp n VAL 57 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1vsp n VAL 57 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 1vsp n VAL 57 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1vsp n VAL 58 N 0.00 0.00 0.00 2.52 0.24 -1.26 -5.11 118.33 114.72 1vsp n VAL 58 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vsp n VAL 58 Cb 0.00 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 30.97 1vsp n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vsp n ALA 59 N -3.00 0.00 -1.98 2.33 0.00 -1.26 -4.94 120.51 111.66 1vsp n ALA 59 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1vsp n ALA 59 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 1vsp n ALA 59 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1vsp s GLU 60 N -2.00 1.44 -0.01 0.00 4.04 -1.24 -4.65 118.70 116.28 1vsp s GLU 60 Ca 0.00 -0.97 0.01 0.00 0.04 0.00 0.00 54.97 54.04 1vsp s GLU 60 Cb 0.00 -2.23 0.01 0.00 0.02 0.00 0.00 34.13 31.93 1vsp s GLU 60 CO 0.00 -1.67 -0.01 0.08 -1.84 0.00 0.00 175.26 171.82 1vsp s VAL 61 N -3.31 0.16 -0.25 1.83 1.01 0.38 -4.58 120.40 115.63 1vsp s VAL 61 Ca 0.68 -0.03 -0.23 0.00 0.00 0.00 0.00 61.98 62.41 1vsp s VAL 61 Cb -0.05 -0.18 0.07 0.00 0.00 0.00 0.00 36.38 36.22 1vsp s VAL 61 CO 0.46 0.08 0.67 -1.48 0.00 0.00 0.00 175.10 174.82 1vsp s LEU 62 N 0.30 -0.57 0.00 3.92 2.34 -1.20 -2.62 118.68 120.84 1vsp s LEU 62 Ca -0.03 1.35 -0.08 0.00 0.06 0.00 0.00 54.13 55.43 1vsp s LEU 62 Cb -0.05 2.29 0.13 0.00 -0.56 0.00 0.00 46.19 47.99 1vsp s LEU 62 CO -0.01 -0.23 0.77 0.61 -1.06 0.00 0.00 176.35 176.43 1vsp n GLY 63 N 2.85 -1.01 3.22 -3.48 0.00 -1.11 -3.29 105.19 102.38 1vsp n GLY 63 Ca -0.14 -1.75 -0.16 0.00 0.00 0.00 0.00 46.02 43.97 1vsp n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vsp s HIS 64 N -2.60 1.24 -0.31 1.61 0.09 -1.18 -4.32 115.29 109.83 1vsp s HIS 64 Ca 0.45 -0.63 -0.08 0.00 -0.00 0.00 0.00 55.06 54.81 1vsp s HIS 64 Cb -0.01 -0.66 0.24 0.00 -0.00 0.00 0.00 32.58 32.15 1vsp s HIS 64 CO 0.31 0.08 1.21 0.41 -0.00 0.00 0.00 174.74 176.76 1vsp n GLY 65 N 0.42 -1.96 3.76 -2.22 0.00 -1.26 -3.92 105.19 100.00 1vsp n GLY 65 Ca -0.15 1.35 -0.41 0.00 0.00 0.00 0.00 46.02 46.81 1vsp n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vsp s ARG 66 N 0.66 4.40 0.00 1.61 6.06 -1.26 -3.50 118.95 126.92 1vsp s ARG 66 Ca 0.23 2.13 0.00 0.00 -2.50 0.00 0.00 55.73 55.59 1vsp s ARG 66 Cb 0.17 -3.12 0.00 0.00 0.06 0.00 0.00 34.95 32.06 1vsp s ARG 66 CO -0.10 -0.15 0.00 0.41 -2.50 0.00 0.00 175.30 172.96 1vsp n GLY 67 N 1.28 0.81 1.06 8.12 0.00 -1.26 -4.50 105.19 110.70 1vsp n GLY 67 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1vsp n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vsp n LYS 68 N -0.40 -0.29 -5.17 1.61 5.02 -1.26 -5.01 118.16 112.66 1vsp n LYS 68 Ca 0.00 0.27 -0.32 0.00 -2.02 0.00 0.00 58.31 56.24 1vsp n LYS 68 Cb 0.00 -0.28 -0.17 0.00 -0.02 0.00 0.00 35.03 34.57 1vsp n LYS 68 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1vsp s LYS 69 N 0.00 2.99 -0.20 1.97 2.20 -1.25 -5.00 119.74 120.45 1vsp s LYS 69 Ca 0.00 -0.86 -0.24 0.00 -0.36 0.00 0.00 55.97 54.51 1vsp s LYS 69 Cb 0.00 -2.31 -0.01 0.00 -1.51 0.00 0.00 37.83 33.99 1vsp s LYS 69 CO 0.00 0.23 0.79 0.96 -0.36 0.00 0.00 175.35 176.96 1vsp s ILE 70 N 0.23 4.90 -0.33 5.43 -5.25 -1.26 -3.27 121.20 121.64 1vsp s ILE 70 Ca -0.15 1.51 -0.07 0.00 -0.99 0.00 0.00 60.65 60.96 1vsp s ILE 70 Cb -0.17 -4.09 0.03 0.00 2.95 0.00 0.00 42.46 41.19 1vsp s ILE 70 CO 0.07 0.01 0.11 -0.76 -1.79 0.00 0.00 174.94 172.58 1vsp s LEU 71 N 2.34 4.24 1.02 0.37 2.01 0.11 -4.99 118.68 123.78 1vsp s LEU 71 Ca 0.35 -1.03 -0.24 0.00 0.01 0.00 0.00 54.13 53.22 1vsp s LEU 71 Cb -0.16 -1.88 -0.14 0.00 0.01 0.00 0.00 46.19 44.02 1vsp s LEU 71 CO 0.10 -0.30 -1.13 0.52 1.01 0.00 0.00 176.35 176.55 1vsp n VAL 72 N 4.84 0.00 0.00 -1.59 0.31 -1.26 -3.66 118.33 116.97 1vsp n VAL 72 Ca -0.13 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1vsp n VAL 72 Cb 0.45 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 1vsp n VAL 72 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1vsp n SER 73 N 2.59 0.00 -0.19 4.52 7.64 -1.26 -4.66 113.62 122.26 1vsp n SER 73 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1vsp n SER 73 Cb 0.69 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 1vsp n SER 73 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1vsp n LYS 74 N -1.58 0.00 -4.16 1.43 5.02 -1.25 -4.93 118.16 112.69 1vsp n LYS 74 Ca 0.00 0.06 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 1vsp n LYS 74 Cb 0.00 -0.13 -0.08 0.00 -0.02 0.00 0.00 35.03 34.81 1vsp n LYS 74 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1vsp s PHE 75 N 0.00 3.16 0.00 2.13 2.99 0.25 -5.00 117.98 121.51 1vsp s PHE 75 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 56.93 57.04 1vsp s PHE 75 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 43.02 41.35 1vsp s PHE 75 CO 0.00 0.51 0.00 1.17 -0.00 0.00 0.00 175.22 176.90 1vsp n LYS 76 N 1.05 0.00 0.00 0.44 4.81 -1.26 -4.32 118.16 118.89 1vsp n LYS 76 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 1vsp n LYS 76 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1vsp n LYS 76 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vsp n ALA 77 N -0.05 0.00 0.00 3.14 0.00 -1.26 -5.04 120.51 117.30 1vsp n ALA 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsp n ALA 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsp n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1vsp n LYS 78 N 0.00 0.00 0.00 0.00 2.85 -1.21 -4.86 118.16 114.94 1vsp n LYS 78 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vsp n LYS 78 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1vsp n LYS 78 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1vsp n VAL 79 N 0.00 0.00 -3.40 0.58 0.31 -1.20 -4.98 118.33 109.64 1vsp n VAL 79 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 1vsp n VAL 79 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1vsp n VAL 79 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1vsp n GLN 80 N 0.00 3.23 -0.13 5.55 0.00 -1.26 -4.71 117.38 120.07 1vsp n GLN 80 Ca 0.00 -4.53 0.00 0.00 -0.00 0.00 0.00 57.00 52.47 1vsp n GLN 80 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 30.24 27.81 1vsp n GLN 80 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1vsp n TYR 81 N 1.85 0.00 -3.02 3.69 -0.00 -1.26 -4.93 117.16 113.49 1vsp n TYR 81 Ca 0.25 0.00 -0.44 0.00 -0.00 0.00 0.00 57.90 57.70 1vsp n TYR 81 Cb 0.37 -0.09 -0.00 0.00 -0.00 0.00 0.00 39.34 39.62 1vsp n TYR 81 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 1vsp s ARG 82 N -0.01 4.04 -0.69 2.98 6.06 -1.26 -4.84 118.95 125.23 1vsp s ARG 82 Ca 0.00 -2.58 0.04 0.00 -2.50 0.00 0.00 55.73 50.68 1vsp s ARG 82 Cb 0.00 -4.95 0.33 0.00 0.06 0.00 0.00 34.95 30.39 1vsp s ARG 82 CO 0.00 -1.67 1.15 0.54 -2.50 0.00 0.00 175.30 172.82 1vsp n ARG 83 N 5.25 3.74 -1.54 5.12 1.74 -1.26 -3.24 116.66 126.47 1vsp n ARG 83 Ca 0.33 -4.82 -0.38 0.00 -0.77 0.00 0.00 57.85 52.21 1vsp n ARG 83 Cb 0.43 -2.29 -0.06 0.00 -1.02 0.00 0.00 32.46 29.52 1vsp n ARG 83 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1vsp n LYS 84 N -0.17 0.85 -0.28 5.56 4.76 -1.26 -4.77 118.16 122.86 1vsp n LYS 84 Ca 0.35 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 1vsp n LYS 84 Cb 0.36 -2.97 0.00 0.00 -1.84 0.00 0.00 35.03 30.58 1vsp n LYS 84 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1vsp n LYS 85 N 8.85 1.94 -3.14 1.97 2.85 -1.26 -4.17 118.16 125.20 1vsp n LYS 85 Ca 0.43 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.59 1vsp n LYS 85 Cb 0.41 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.81 1vsp n LYS 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vsp n GLY 86 N 5.00 -0.98 3.15 2.58 0.00 -1.26 -4.99 105.19 108.69 1vsp n GLY 86 Ca 0.00 0.51 0.06 0.00 0.00 0.00 0.00 46.02 46.58 1vsp n GLY 86 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vsp s HIS 87 N -1.41 -0.34 0.40 1.61 3.76 -1.26 -5.03 115.29 113.02 1vsp s HIS 87 Ca 0.12 0.33 0.08 0.00 -0.15 0.00 0.00 55.06 55.43 1vsp s HIS 87 Cb -0.02 0.11 -0.01 0.00 1.11 0.00 0.00 32.58 33.77 1vsp s HIS 87 CO 0.45 -0.19 0.41 1.03 -0.85 0.00 0.00 174.74 175.60 1vsp s ARG 88 N 2.97 2.64 -0.59 1.40 0.52 -1.26 -0.58 118.95 124.06 1vsp s ARG 88 Ca 0.01 -1.42 0.05 0.00 -0.52 0.00 0.00 55.73 53.85 1vsp s ARG 88 Cb -0.08 -2.49 0.18 0.00 0.52 0.00 0.00 34.95 33.08 1vsp s ARG 88 CO -0.12 -0.17 0.47 0.94 0.02 0.00 0.00 175.30 176.45 1vsp n GLN 89 N -1.60 1.30 0.00 3.54 0.00 -1.26 -4.87 117.38 114.49 1vsp n GLN 89 Ca 0.04 -4.00 0.00 0.00 -0.00 0.00 0.00 57.00 53.04 1vsp n GLN 89 Cb 0.61 -2.02 0.00 0.00 0.00 0.00 0.00 30.24 28.83 1vsp n GLN 89 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1vsp n PRO 90 N 2.10 0.00 -0.79 3.69 -0.01 -1.24 -4.44 135.00 134.31 1vsp n PRO 90 Ca 0.24 0.44 0.10 0.00 -0.01 0.00 0.00 63.50 64.27 1vsp n PRO 90 Cb 0.41 -0.70 -0.04 0.00 -0.01 0.00 0.00 33.50 33.16 1vsp n PRO 90 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 175.50 176.47 1vsp n TYR 91 N -1.91 -2.05 -3.33 6.00 9.36 -1.26 0.07 117.16 124.04 1vsp n TYR 91 Ca 0.00 1.08 -0.19 0.00 3.32 0.00 0.00 57.90 62.11 1vsp n TYR 91 Cb 0.00 -1.86 -0.01 0.00 -0.63 0.00 0.00 39.34 36.84 1vsp n TYR 91 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1vsp s THR 92 N -2.71 3.12 -0.06 2.97 -1.32 -1.26 -3.38 115.64 113.00 1vsp s THR 92 Ca 0.00 -1.14 -0.21 0.00 -1.21 0.00 0.00 61.69 59.12 1vsp s THR 92 Cb 0.00 -3.08 0.04 0.00 -1.51 0.00 0.00 72.50 67.95 1vsp s THR 92 CO 0.00 -0.04 0.48 -0.70 -2.21 0.00 0.00 174.62 172.15 1vsp s GLU 93 N -4.22 0.80 -0.02 7.08 2.12 -1.11 -4.50 118.70 118.84 1vsp s GLU 93 Ca 0.50 0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.98 1vsp s GLU 93 Cb -0.07 0.37 -0.00 0.00 0.26 0.00 0.00 34.13 34.69 1vsp s GLU 93 CO 0.30 -0.22 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.20 1vsp s LEU 94 N -1.01 1.86 -0.56 2.70 1.43 -1.13 -3.87 118.68 118.11 1vsp s LEU 94 Ca -0.10 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 52.88 1vsp s LEU 94 Cb -0.03 -0.53 0.27 0.00 0.03 0.00 0.00 46.19 45.93 1vsp s LEU 94 CO 0.06 0.08 0.73 -0.11 0.23 0.00 0.00 176.35 177.34 1vsp n LEU 95 N 3.14 2.92 0.00 1.79 7.94 -1.26 -3.38 117.00 128.15 1vsp n LEU 95 Ca -0.17 -5.30 0.00 0.00 -1.11 0.00 0.00 56.01 49.44 1vsp n LEU 95 Cb 0.55 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 44.23 1vsp n LEU 95 CO 0.25 2.13 0.00 -0.38 -1.11 0.00 0.00 177.39 178.28 1vsp n ILE 96 N 0.73 0.00 0.00 1.96 -0.00 -1.23 -4.63 119.36 116.19 1vsp n ILE 96 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.03 1vsp n ILE 96 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.09 1vsp n ILE 96 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1vsp n LYS 97 N 0.00 0.00 -3.64 0.38 3.00 -1.26 -4.79 118.16 111.85 1vsp n LYS 97 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 1vsp n LYS 97 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1vsp n LYS 97 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1vsp n GLU 98 N -0.35 0.65 0.00 1.64 -0.00 -1.21 -2.74 120.64 118.63 1vsp n GLU 98 Ca 0.00 -2.36 0.00 0.00 -0.00 0.00 0.00 57.16 54.80 1vsp n GLU 98 Cb 0.00 1.34 0.00 0.00 -0.00 0.00 0.00 31.44 32.78 1vsp n GLU 98 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1vsp n ILE 99 N -0.61 0.00 -2.83 3.84 2.08 -1.08 -4.42 119.36 116.34 1vsp n ILE 99 Ca -0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.28 1vsp n ILE 99 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.31 1vsp n ILE 99 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 1vsp n ARG 100 N 0.00 0.50 0.00 0.38 -4.01 -1.16 -4.75 116.66 107.61 1vsp n ARG 100 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1vsp n ARG 100 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1vsp n ARG 100 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00