#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 s LYS 2 N 0.00 3.45 -0.12 0.03 -0.14 -1.26 -4.94 119.74 116.77 1vs6 s LYS 2 Ca 0.00 -1.15 -0.30 0.00 -1.36 0.00 0.00 55.97 53.16 1vs6 s LYS 2 Cb 0.00 -5.34 -0.08 0.00 -1.68 0.00 0.00 37.83 30.73 1vs6 s LYS 2 CO 0.00 -2.48 2.08 -2.37 -0.76 0.00 0.00 175.35 171.82 1vs6 n THR 3 N 7.00 0.53 0.00 2.17 5.66 -1.26 -4.80 114.28 123.57 1vs6 n THR 3 Ca 0.37 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1vs6 n THR 3 Cb 0.49 -2.29 0.00 0.00 -1.55 0.00 0.00 70.33 66.98 1vs6 n THR 3 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 1vs6 n PHE 4 N 9.22 0.00 -1.66 1.09 7.35 -1.26 -5.12 117.46 127.08 1vs6 n PHE 4 Ca 0.26 0.00 -0.47 0.00 -0.76 0.00 0.00 57.45 56.48 1vs6 n PHE 4 Cb 0.39 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.18 1vs6 n PHE 4 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1vs6 n THR 5 N 0.00 0.03 0.00 -2.13 -1.04 -1.26 -4.93 114.28 104.95 1vs6 n THR 5 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1vs6 n THR 5 Cb 0.00 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.03 1vs6 n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vs6 n ALA 6 N 3.51 0.00 -3.38 2.41 0.00 -1.26 -4.79 120.51 117.00 1vs6 n ALA 6 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.16 1vs6 n ALA 6 Cb 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.69 1vs6 n ALA 6 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1vs6 s LYS 7 N -2.41 3.32 0.00 0.00 2.47 -1.26 -4.82 119.74 117.04 1vs6 s LYS 7 Ca 0.00 -2.29 0.01 0.00 -1.56 0.00 0.00 55.97 52.13 1vs6 s LYS 7 Cb 0.00 -4.31 0.05 0.00 -1.46 0.00 0.00 37.83 32.12 1vs6 s LYS 7 CO 0.00 -1.28 0.35 -2.30 0.16 0.00 0.00 175.35 172.27 1vs6 n PRO 8 N 4.22 0.05 -3.28 4.03 -0.02 -1.26 -4.73 135.00 134.01 1vs6 n PRO 8 Ca 0.07 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.39 1vs6 n PRO 8 Cb 0.44 -1.27 0.08 0.00 -0.02 0.00 0.00 33.50 32.73 1vs6 n PRO 8 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1vs6 n GLU 9 N -0.77 -5.97 -3.54 -0.52 2.13 -1.26 -2.94 120.64 107.77 1vs6 n GLU 9 Ca 0.01 0.73 -0.26 0.00 0.66 0.00 0.00 57.16 58.30 1vs6 n GLU 9 Cb 0.00 -5.40 0.05 0.00 0.27 0.00 0.00 31.44 26.36 1vs6 n GLU 9 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1vs6 n THR 10 N -3.91 -6.99 0.13 6.31 -2.24 -1.26 -4.90 114.28 101.42 1vs6 n THR 10 Ca -0.19 -1.08 -0.01 0.00 -2.27 0.00 0.00 64.05 60.50 1vs6 n THR 10 Cb 0.63 -5.08 0.12 0.00 -2.10 0.00 0.00 70.33 63.90 1vs6 n THR 10 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1vs6 h VAL 11 N -1.59 1.35 -3.03 2.28 3.04 -1.91 -3.45 116.25 112.93 1vs6 h VAL 11 Ca -0.64 -2.32 -0.61 0.00 -1.01 0.00 0.00 66.70 62.12 1vs6 h VAL 11 Cb 1.34 2.29 -0.05 0.00 -2.01 0.00 0.00 31.29 32.86 1vs6 h VAL 11 CO 0.46 0.64 -0.23 -1.59 -1.01 0.00 0.00 177.57 175.84 1vs6 s LYS 12 N -3.34 3.83 -0.39 4.17 -2.85 -1.26 -5.05 119.74 114.85 1vs6 s LYS 12 Ca -0.00 0.29 0.06 0.00 -1.00 0.00 0.00 55.97 55.32 1vs6 s LYS 12 Cb 0.11 -3.13 0.17 0.00 -2.06 0.00 0.00 37.83 32.93 1vs6 s LYS 12 CO 0.76 0.64 0.55 1.03 0.10 0.00 0.00 175.35 178.43 1vs6 s ARG 13 N -1.42 0.75 -0.26 1.78 0.52 -1.26 -4.63 118.95 114.43 1vs6 s ARG 13 Ca 0.27 -0.40 -0.17 0.00 -0.52 0.00 0.00 55.73 54.91 1vs6 s ARG 13 Cb -0.15 -0.16 -0.03 0.00 0.52 0.00 0.00 34.95 35.13 1vs6 s ARG 13 CO 0.15 -1.18 0.47 -0.51 0.02 0.00 0.00 175.30 174.24 1vs6 s ASP 14 N 1.77 6.38 0.29 0.23 1.11 -1.26 -4.88 116.67 120.31 1vs6 s ASP 14 Ca 0.16 0.45 -0.28 0.00 0.18 0.00 0.00 52.55 53.06 1vs6 s ASP 14 Cb -0.08 -2.26 -0.09 0.00 1.07 0.00 0.00 42.92 41.56 1vs6 s ASP 14 CO -0.07 -0.24 1.02 -1.66 1.18 0.00 0.00 175.17 175.39 1vs6 s TRP 15 N 2.18 3.67 0.14 4.23 -0.00 -1.21 -2.81 118.94 125.13 1vs6 s TRP 15 Ca 0.19 1.77 -0.11 0.00 -0.00 0.00 0.00 56.10 57.95 1vs6 s TRP 15 Cb -0.16 -3.11 0.01 0.00 -0.00 0.00 0.00 33.47 30.21 1vs6 s TRP 15 CO 0.09 -0.12 0.31 0.71 -0.00 0.00 0.00 176.95 177.94 1vs6 s TYR 16 N -1.32 0.15 -0.21 1.66 1.51 0.99 -3.69 117.35 116.43 1vs6 s TYR 16 Ca 0.46 -0.52 -0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1vs6 s TYR 16 Cb -0.26 0.06 0.07 0.00 -0.11 0.00 0.00 41.96 41.72 1vs6 s TYR 16 CO 0.33 -0.69 0.09 0.08 -1.11 0.00 0.00 175.55 174.25 1vs6 s VAL 17 N -3.90 0.12 0.00 0.71 1.01 -0.03 -1.44 120.40 116.87 1vs6 s VAL 17 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1vs6 s VAL 17 Cb 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1vs6 s VAL 17 CO -0.06 -0.39 0.00 1.33 0.00 0.00 0.00 175.10 175.99 1vs6 n VAL 18 N 5.19 0.00 0.00 2.92 0.24 -0.20 -4.83 118.33 121.65 1vs6 n VAL 18 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1vs6 n VAL 18 Cb 0.47 -0.90 0.00 0.00 -1.47 0.00 0.00 33.84 31.93 1vs6 n VAL 18 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1vs6 n ASP 19 N 0.00 2.53 0.00 -1.34 5.68 -1.26 -4.72 116.55 117.44 1vs6 n ASP 19 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1vs6 n ASP 19 Cb 0.00 0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 1vs6 n ASP 19 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1vs6 n ALA 20 N -1.12 0.00 -0.89 2.12 0.00 -1.26 -4.11 120.51 115.25 1vs6 n ALA 20 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1vs6 n ALA 20 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 1vs6 n ALA 20 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1vs6 n THR 21 N 0.00 2.93 -2.90 0.00 5.66 -1.26 -4.56 114.28 114.15 1vs6 n THR 21 Ca 0.00 -1.74 0.00 0.00 -3.05 0.00 0.00 64.05 59.26 1vs6 n THR 21 Cb 0.00 -2.26 0.00 0.00 -1.55 0.00 0.00 70.33 66.52 1vs6 n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1vs6 n GLY 22 N 3.71 2.49 0.60 1.09 0.00 -1.26 -5.03 105.19 106.79 1vs6 n GLY 22 Ca 0.53 -2.11 0.07 0.00 0.00 0.00 0.00 46.02 44.51 1vs6 n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vs6 n LYS 23 N -0.60 2.10 0.00 1.61 4.01 -1.26 -4.62 118.16 119.40 1vs6 n LYS 23 Ca 0.00 -2.81 0.00 0.00 -0.51 0.00 0.00 58.31 54.99 1vs6 n LYS 23 Cb 0.00 -1.70 0.00 0.00 -0.51 0.00 0.00 35.03 32.82 1vs6 n LYS 23 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1vs6 n THR 24 N -0.97 0.00 0.00 -0.18 -2.24 -1.26 -5.06 114.28 104.57 1vs6 n THR 24 Ca 0.21 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1vs6 n THR 24 Cb 0.80 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1vs6 n THR 24 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1vs6 n LEU 25 N -0.77 0.00 0.23 3.22 7.99 -1.26 -0.69 117.00 125.72 1vs6 n LEU 25 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.07 1vs6 n LEU 25 Cb 0.00 0.00 0.54 0.00 -0.11 0.00 0.00 43.42 43.85 1vs6 n LEU 25 CO 0.00 0.00 0.90 1.23 -1.51 0.00 0.00 177.39 178.01 1vs6 h GLY 26 N 0.00 0.00 2.00 -0.72 0.00 -1.97 -2.55 103.07 99.83 1vs6 h GLY 26 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1vs6 h GLY 26 CO 0.00 0.00 -0.24 3.21 0.00 0.00 0.00 176.54 179.51 1vs6 h ARG 27 N 0.00 0.00 -0.60 4.80 2.47 -1.33 -2.95 114.38 116.78 1vs6 h ARG 27 Ca -0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 1vs6 h ARG 27 Cb 0.35 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.64 1vs6 h ARG 27 CO 0.02 0.24 0.12 1.25 0.56 0.00 0.00 179.97 182.16 1vs6 h LEU 28 N 0.00 0.89 -0.92 3.04 6.46 -1.61 -3.22 115.31 119.95 1vs6 h LEU 28 Ca -0.00 -0.18 0.26 0.00 -0.12 0.00 0.00 57.88 57.83 1vs6 h LEU 28 Cb 0.45 -0.24 -0.16 0.00 -0.73 0.00 0.00 40.66 39.98 1vs6 h LEU 28 CO 0.03 0.89 0.14 0.00 -0.62 0.00 0.00 178.44 178.87 1vs6 h ALA 29 N 1.23 1.24 0.07 1.25 0.00 -1.63 -0.30 119.26 121.10 1vs6 h ALA 29 Ca 0.19 0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.39 1vs6 h ALA 29 Cb 0.36 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1vs6 h ALA 29 CO 0.00 -0.55 -0.09 1.79 0.00 0.00 0.00 179.25 180.41 1vs6 h THR 30 N 0.09 0.80 0.00 0.00 1.35 -1.75 0.40 112.91 113.79 1vs6 h THR 30 Ca 0.58 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.44 1vs6 h THR 30 Cb 1.21 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1vs6 h THR 30 CO -0.79 0.00 0.01 -0.62 -0.25 0.00 0.00 175.52 173.87 1vs6 n GLU 31 N -5.20 0.09 -0.09 4.72 1.02 -0.16 0.47 120.64 121.48 1vs6 n GLU 31 Ca -0.07 0.59 -0.23 0.00 -0.02 0.00 0.00 57.16 57.43 1vs6 n GLU 31 Cb 0.13 -1.81 -0.12 0.00 -0.02 0.00 0.00 31.44 29.62 1vs6 n GLU 31 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1vs6 n LEU 32 N -2.00 2.18 -0.28 -4.62 4.32 -0.18 -3.11 117.00 113.31 1vs6 n LEU 32 Ca -0.01 0.29 -0.06 0.00 -0.02 0.00 0.00 56.01 56.22 1vs6 n LEU 32 Cb 0.03 -0.95 0.06 0.00 -1.62 0.00 0.00 43.42 40.94 1vs6 n LEU 32 CO 0.06 0.55 1.09 0.00 -1.22 0.00 0.00 177.39 177.87 1vs6 h ALA 33 N -0.45 0.99 -0.59 -1.18 0.00 0.92 0.48 119.26 119.43 1vs6 h ALA 33 Ca -0.49 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 1vs6 h ALA 33 Cb 1.61 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1vs6 h ALA 33 CO -0.19 0.55 -0.02 0.00 0.00 0.00 0.00 179.25 179.58 1vs6 h ARG 34 N 1.08 1.05 -0.24 0.00 2.47 -0.17 -3.17 114.38 115.39 1vs6 h ARG 34 Ca 0.26 -0.35 -0.03 0.00 -1.26 0.00 0.00 59.98 58.60 1vs6 h ARG 34 Cb 0.11 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 1vs6 h ARG 34 CO -0.03 1.04 0.02 -0.09 0.56 0.00 0.00 179.97 181.46 1vs6 h ARG 35 N 0.94 0.42 -0.40 0.04 9.65 -1.38 -1.71 114.38 121.95 1vs6 h ARG 35 Ca 0.16 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1vs6 h ARG 35 Cb 0.58 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1vs6 h ARG 35 CO 0.03 0.58 0.00 1.28 2.80 0.00 0.00 179.97 184.66 1vs6 n LEU 36 N -4.66 0.40 0.00 3.80 4.77 0.12 -4.15 117.00 117.27 1vs6 n LEU 36 Ca -0.04 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1vs6 n LEU 36 Cb 0.22 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1vs6 n LEU 36 CO 0.37 0.10 0.00 -1.14 -1.33 0.00 0.00 177.39 175.39 1vs6 n ARG 37 N 0.20 0.00 -2.72 3.23 3.00 -1.10 -4.31 116.66 114.96 1vs6 n ARG 37 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.77 1vs6 n ARG 37 Cb 0.10 0.00 0.09 0.00 0.00 0.00 0.00 32.46 32.65 1vs6 n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vs6 n GLY 38 N 0.78 0.37 0.00 5.14 0.00 -0.95 -3.69 105.19 106.84 1vs6 n GLY 38 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1vs6 n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vs6 n LYS 39 N 0.32 0.00 0.00 1.61 3.00 -0.68 -4.30 118.16 118.11 1vs6 n LYS 39 Ca 0.04 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.37 1vs6 n LYS 39 Cb 0.71 -0.05 0.15 0.00 0.00 0.00 0.00 35.03 35.84 1vs6 n LYS 39 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1vs6 n HIS 40 N -0.11 0.00 -3.31 5.64 8.25 -1.26 -4.61 115.22 119.82 1vs6 n HIS 40 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1vs6 n HIS 40 Cb 0.00 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.04 1vs6 n HIS 40 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1vs6 s LYS 41 N -2.02 4.09 -0.10 -0.41 2.36 -1.26 -5.00 119.74 117.39 1vs6 s LYS 41 Ca 0.07 0.61 -0.12 0.00 -2.55 0.00 0.00 55.97 53.99 1vs6 s LYS 41 Cb 0.03 -3.07 -0.05 0.00 -1.05 0.00 0.00 37.83 33.70 1vs6 s LYS 41 CO 0.06 0.55 -0.24 0.00 1.55 0.00 0.00 175.35 177.27 1vs6 n ALA 42 N 1.22 1.59 -1.00 3.13 0.00 -1.26 -4.94 120.51 119.25 1vs6 n ALA 42 Ca -0.08 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1vs6 n ALA 42 Cb 0.51 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1vs6 n ALA 42 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1vs6 n GLU 43 N -4.11 0.00 -0.11 0.00 0.28 -1.26 -4.62 120.64 110.82 1vs6 n GLU 43 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 1vs6 n GLU 43 Cb 0.41 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.28 1vs6 n GLU 43 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1vs6 n TYR 44 N 0.00 0.00 -1.28 -1.84 4.01 -1.26 -4.63 117.16 112.15 1vs6 n TYR 44 Ca 0.00 0.00 -0.47 0.00 -0.16 0.00 0.00 57.90 57.27 1vs6 n TYR 44 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 1vs6 n TYR 44 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1vs6 n THR 45 N -0.03 0.88 0.00 -0.72 5.66 -1.26 -4.88 114.28 113.94 1vs6 n THR 45 Ca 0.00 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1vs6 n THR 45 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1vs6 n THR 45 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1vs6 n PRO 46 N 1.11 1.71 0.00 1.09 -0.04 -1.26 -4.17 135.00 133.43 1vs6 n PRO 46 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1vs6 n PRO 46 Cb 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.61 1vs6 n PRO 46 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1vs6 n HIS 47 N -0.27 0.00 -1.38 0.54 8.25 -1.26 -4.76 115.22 116.34 1vs6 n HIS 47 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1vs6 n HIS 47 Cb 0.00 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.31 1vs6 n HIS 47 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1vs6 s VAL 48 N 0.00 1.81 0.53 1.59 -7.23 -1.26 -4.96 120.40 110.88 1vs6 s VAL 48 Ca 0.00 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 59.96 1vs6 s VAL 48 Cb 0.00 -2.66 -0.07 0.00 0.56 0.00 0.00 36.38 34.21 1vs6 s VAL 48 CO 0.00 0.00 1.10 0.47 -0.31 0.00 0.00 175.10 176.36 1vs6 n ASP 49 N -4.28 1.53 0.00 4.85 9.92 -1.26 -4.93 116.55 122.38 1vs6 n ASP 49 Ca 0.11 0.93 0.00 0.00 -0.53 0.00 0.00 54.79 55.31 1vs6 n ASP 49 Cb 0.59 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 1vs6 n ASP 49 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1vs6 n THR 50 N -1.11 0.00 -0.01 -3.53 5.66 -1.26 -4.30 114.28 109.72 1vs6 n THR 50 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1vs6 n THR 50 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1vs6 n THR 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1vs6 n GLY 51 N 0.00 0.99 0.00 1.09 0.00 -1.24 -4.87 105.19 101.15 1vs6 n GLY 51 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1vs6 n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vs6 n ASP 52 N 2.13 2.51 -2.94 1.61 2.03 -1.26 -4.66 116.55 115.97 1vs6 n ASP 52 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 1vs6 n ASP 52 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1vs6 n ASP 52 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1vs6 s TYR 53 N 1.01 -0.28 0.50 -0.67 5.04 -1.12 -4.69 117.35 117.13 1vs6 s TYR 53 Ca 0.00 0.10 0.01 0.00 -2.44 0.00 0.00 57.07 54.75 1vs6 s TYR 53 Cb 0.00 0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.35 1vs6 s TYR 53 CO 0.00 -0.18 0.05 0.96 -1.34 0.00 0.00 175.55 175.04 1vs6 s ILE 54 N 2.46 0.86 -0.21 3.14 -4.36 -1.26 -0.01 121.20 121.81 1vs6 s ILE 54 Ca 0.22 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.41 1vs6 s ILE 54 Cb 0.02 -2.10 0.06 0.00 1.25 0.00 0.00 42.46 41.68 1vs6 s ILE 54 CO -0.19 0.00 0.57 -0.51 0.24 0.00 0.00 174.94 175.05 1vs6 s ILE 55 N -2.98 0.00 0.65 8.37 2.07 -0.52 -4.46 121.20 124.32 1vs6 s ILE 55 Ca 0.07 -0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.26 1vs6 s ILE 55 Cb 0.01 -0.80 0.04 0.00 0.13 0.00 0.00 42.46 41.84 1vs6 s ILE 55 CO 0.05 -0.00 0.95 -0.69 -1.91 0.00 0.00 174.94 173.33 1vs6 s VAL 56 N 0.30 2.76 0.00 4.00 1.01 -1.00 -1.03 120.40 126.44 1vs6 s VAL 56 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1vs6 s VAL 56 Cb -0.04 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1vs6 s VAL 56 CO 0.01 -0.15 0.00 0.18 0.00 0.00 0.00 175.10 175.14 1vs6 n LEU 57 N -2.73 0.00 0.21 3.92 7.99 -1.09 -4.46 117.00 120.83 1vs6 n LEU 57 Ca 0.07 0.00 -0.15 0.00 -0.01 0.00 0.00 56.01 55.92 1vs6 n LEU 57 Cb 0.59 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.83 1vs6 n LEU 57 CO 0.51 0.00 0.68 -0.55 -1.51 0.00 0.00 177.39 176.52 1vs6 h ASN 58 N 0.00 -0.74 0.00 -1.43 7.08 -1.77 -2.80 115.58 115.92 1vs6 h ASN 58 Ca 0.00 0.06 0.00 0.00 -3.08 0.00 0.00 56.30 53.28 1vs6 h ASN 58 Cb 0.00 0.24 0.00 0.00 -2.08 0.00 0.00 38.32 36.48 1vs6 h ASN 58 CO 0.00 -0.42 0.00 0.00 -2.08 0.00 0.00 177.43 174.93 1vs6 n ALA 59 N -2.53 0.00 0.62 4.14 0.00 -1.26 -3.82 120.51 117.65 1vs6 n ALA 59 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1vs6 n ALA 59 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1vs6 n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1vs6 n ASP 60 N 0.30 0.03 -2.80 0.00 9.92 -1.26 -3.45 116.55 119.29 1vs6 n ASP 60 Ca 0.00 -0.65 -0.32 0.00 -0.53 0.00 0.00 54.79 53.30 1vs6 n ASP 60 Cb 0.00 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 1vs6 n ASP 60 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1vs6 n LYS 61 N -0.42 3.44 -4.25 -1.24 4.76 -1.26 -5.01 118.16 114.18 1vs6 n LYS 61 Ca 0.00 -4.34 -0.21 0.00 -2.87 0.00 0.00 58.31 50.89 1vs6 n LYS 61 Cb 0.01 -2.28 -0.12 0.00 -1.84 0.00 0.00 35.03 30.80 1vs6 n LYS 61 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1vs6 s VAL 62 N -5.10 1.47 0.00 -0.18 -7.23 -1.22 -4.12 120.40 104.02 1vs6 s VAL 62 Ca 0.48 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1vs6 s VAL 62 Cb 0.37 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.88 1vs6 s VAL 62 CO -0.23 -0.20 0.25 0.00 -0.31 0.00 0.00 175.10 174.61 1vs6 n ALA 63 N 0.97 0.86 -0.71 1.32 0.00 -1.26 -5.10 120.51 116.58 1vs6 n ALA 63 Ca -0.19 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1vs6 n ALA 63 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1vs6 n ALA 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vs6 n VAL 64 N 0.00 0.00 0.00 0.00 0.31 -1.26 -4.46 118.33 112.92 1vs6 n VAL 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1vs6 n VAL 64 Cb 0.46 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 1vs6 n VAL 64 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1vs6 n THR 65 N 0.00 0.00 0.00 2.52 -2.24 -1.26 -4.99 114.28 108.31 1vs6 n THR 65 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1vs6 n THR 65 Cb 0.00 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 1vs6 n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vs6 n GLY 66 N 3.04 -2.80 0.77 3.38 0.00 -1.26 -4.70 105.19 103.62 1vs6 n GLY 66 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1vs6 n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vs6 n ASN 67 N 0.00 1.81 0.00 1.61 2.85 -1.26 -4.03 115.26 116.24 1vs6 n ASN 67 Ca 0.00 -1.74 0.02 0.00 -0.11 0.00 0.00 54.58 52.76 1vs6 n ASN 67 Cb 0.00 -0.43 0.11 0.00 1.24 0.00 0.00 39.78 40.70 1vs6 n ASN 67 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1vs6 n LYS 68 N 0.34 0.05 0.00 1.20 5.02 -1.26 -0.62 118.16 122.88 1vs6 n LYS 68 Ca 0.00 0.29 0.10 0.00 -2.02 0.00 0.00 58.31 56.68 1vs6 n LYS 68 Cb 0.33 -1.50 0.45 0.00 -0.02 0.00 0.00 35.03 34.30 1vs6 n LYS 68 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1vs6 n ARG 69 N -1.34 0.01 0.00 1.97 3.00 -1.26 -2.85 116.66 116.19 1vs6 n ARG 69 Ca 0.02 0.14 0.02 0.00 -0.00 0.00 0.00 57.85 58.03 1vs6 n ARG 69 Cb 0.04 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 30.97 1vs6 n ARG 69 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1vs6 n THR 70 N -1.50 0.00 0.00 5.15 5.66 0.20 -3.12 114.28 120.68 1vs6 n THR 70 Ca 0.05 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 1vs6 n THR 70 Cb 0.25 1.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.03 1vs6 n THR 70 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1vs6 n ASP 71 N -1.07 0.00 0.00 1.09 5.75 -1.13 -4.61 116.55 116.58 1vs6 n ASP 71 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1vs6 n ASP 71 Cb 0.08 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1vs6 n ASP 71 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1vs6 n LYS 72 N 0.00 -0.88 0.00 0.11 4.76 -1.26 0.86 118.16 121.75 1vs6 n LYS 72 Ca 0.00 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1vs6 n LYS 72 Cb 0.00 -4.08 0.00 0.00 -1.84 0.00 0.00 35.03 29.11 1vs6 n LYS 72 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1vs6 n VAL 73 N -2.28 0.00 -1.97 -0.18 0.24 -1.26 -4.60 118.33 108.28 1vs6 n VAL 73 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vs6 n VAL 73 Cb 0.22 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 1vs6 n VAL 73 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1vs6 n TYR 74 N 0.00 -4.12 -3.21 6.34 4.01 -1.26 -1.25 117.16 117.66 1vs6 n TYR 74 Ca 0.00 2.47 -0.01 0.00 -0.16 0.00 0.00 57.90 60.20 1vs6 n TYR 74 Cb 0.00 -3.49 -0.03 0.00 -0.31 0.00 0.00 39.34 35.52 1vs6 n TYR 74 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1vs6 s TYR 75 N -0.47 -1.50 -1.28 -0.72 -0.00 -1.22 -0.00 117.35 112.16 1vs6 s TYR 75 Ca 0.00 0.88 -0.10 0.00 -0.00 0.00 0.00 57.07 57.85 1vs6 s TYR 75 Cb 0.00 0.17 0.16 0.00 -0.00 0.00 0.00 41.96 42.29 1vs6 s TYR 75 CO 0.00 -1.01 1.87 0.72 -0.00 0.00 0.00 175.55 177.13 1vs6 n HIS 76 N 5.40 3.02 -1.48 -3.49 8.25 -1.26 -4.67 115.22 121.00 1vs6 n HIS 76 Ca 0.02 -2.81 -0.43 0.00 -0.26 0.00 0.00 57.72 54.25 1vs6 n HIS 76 Cb 0.52 -1.97 0.00 0.00 1.12 0.00 0.00 29.99 29.66 1vs6 n HIS 76 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1vs6 n HIS 77 N 3.99 -0.14 -4.02 4.41 -0.00 -1.26 -4.75 115.22 113.44 1vs6 n HIS 77 Ca 0.40 0.65 -0.30 0.00 0.46 0.00 0.00 57.72 58.93 1vs6 n HIS 77 Cb 0.37 -2.04 -0.16 0.00 -0.12 0.00 0.00 29.99 28.03 1vs6 n HIS 77 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1vs6 s THR 78 N -1.35 1.59 -0.84 3.57 -4.23 -1.26 -4.99 115.64 108.13 1vs6 s THR 78 Ca 0.63 -0.66 -0.17 0.00 -1.18 0.00 0.00 61.69 60.31 1vs6 s THR 78 Cb -0.65 -1.50 -0.22 0.00 1.34 0.00 0.00 72.50 71.47 1vs6 s THR 78 CO 0.58 0.45 2.17 0.61 -0.54 0.00 0.00 174.62 177.89 1vs6 n GLY 79 N 4.76 -0.32 0.68 3.99 0.00 -1.26 -4.31 105.19 108.73 1vs6 n GLY 79 Ca -0.17 0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1vs6 n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1vs6 n HIS 80 N 12.00 0.00 0.00 1.61 8.25 -1.26 -5.14 115.22 130.68 1vs6 n HIS 80 Ca 0.52 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 1vs6 n HIS 80 Cb 0.31 0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1vs6 n HIS 80 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1vs6 n ILE 81 N 0.04 0.00 -2.32 1.59 0.13 -1.26 -4.69 119.36 112.85 1vs6 n ILE 81 Ca -0.05 0.00 -0.06 0.00 -1.10 0.00 0.00 62.75 61.54 1vs6 n ILE 81 Cb 0.63 0.00 -0.01 0.00 -0.84 0.00 0.00 39.64 39.43 1vs6 n ILE 81 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1vs6 n GLY 82 N 0.00 -0.38 2.57 4.50 0.00 -1.26 -3.31 105.19 107.31 1vs6 n GLY 82 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1vs6 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLY 83 N -0.58 -4.50 0.00 -0.02 0.00 -1.26 -5.07 105.19 93.76 1vs6 n GLY 83 Ca -0.07 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1vs6 n GLY 83 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1vs6 n ILE 84 N 0.94 0.00 -2.39 -0.61 2.08 -1.21 -5.06 119.36 113.11 1vs6 n ILE 84 Ca -0.13 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.18 1vs6 n ILE 84 Cb 0.20 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 39.08 1vs6 n ILE 84 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1vs6 n LYS 85 N 0.00 -5.04 -3.65 0.38 4.76 -1.26 -4.94 118.16 108.40 1vs6 n LYS 85 Ca 0.00 3.67 -0.34 0.00 -2.87 0.00 0.00 58.31 58.76 1vs6 n LYS 85 Cb 0.00 -4.69 -0.07 0.00 -1.84 0.00 0.00 35.03 28.43 1vs6 n LYS 85 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1vs6 n GLN 86 N 1.85 2.56 -2.22 1.97 1.13 -1.26 -5.00 117.38 116.42 1vs6 n GLN 86 Ca -0.05 -4.50 -0.42 0.00 -1.94 0.00 0.00 57.00 50.09 1vs6 n GLN 86 Cb 0.08 -2.38 -0.03 0.00 0.11 0.00 0.00 30.24 28.02 1vs6 n GLN 86 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1vs6 s ALA 87 N -1.53 3.61 -0.25 -1.58 0.00 -1.24 -3.39 121.76 117.38 1vs6 s ALA 87 Ca 0.28 0.80 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 1vs6 s ALA 87 Cb -0.05 -3.64 0.11 0.00 0.00 0.00 0.00 23.12 19.55 1vs6 s ALA 87 CO -0.12 -1.08 0.25 0.95 0.00 0.00 0.00 175.76 175.76 1vs6 s THR 88 N 3.03 -0.34 0.66 0.00 -4.23 0.99 -4.98 115.64 110.77 1vs6 s THR 88 Ca 0.64 -0.35 -0.17 0.00 -1.18 0.00 0.00 61.69 60.64 1vs6 s THR 88 Cb -0.30 -0.85 -0.05 0.00 1.34 0.00 0.00 72.50 72.64 1vs6 s THR 88 CO 0.25 -0.37 0.59 0.49 -0.54 0.00 0.00 174.62 175.03 1vs6 n PHE 89 N 5.31 -0.54 -0.27 3.99 3.72 -1.15 -4.16 117.46 124.36 1vs6 n PHE 89 Ca -0.04 0.39 -0.12 0.00 -0.05 0.00 0.00 57.45 57.62 1vs6 n PHE 89 Cb 0.47 -1.96 -0.10 0.00 -0.94 0.00 0.00 39.48 36.96 1vs6 n PHE 89 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1vs6 h GLU 90 N -0.10 -0.21 -0.73 -1.08 4.22 0.22 0.25 114.58 117.15 1vs6 h GLU 90 Ca -0.46 0.01 0.17 0.00 0.08 0.00 0.00 59.36 59.16 1vs6 h GLU 90 Cb 1.37 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 1vs6 h GLU 90 CO 0.45 -0.14 0.50 1.05 -2.18 0.00 0.00 179.01 178.69 1vs6 h GLU 91 N -0.21 0.25 0.00 1.92 4.11 -1.81 0.93 114.58 119.77 1vs6 h GLU 91 Ca 0.12 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.49 1vs6 h GLU 91 Cb 0.51 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1vs6 h GLU 91 CO -0.76 0.17 -0.20 1.98 0.07 0.00 0.00 179.01 180.27 1vs6 h MET 92 N 0.26 0.00 0.00 1.06 4.05 -0.85 -3.10 114.93 116.35 1vs6 h MET 92 Ca 0.36 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.64 1vs6 h MET 92 Cb 1.03 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.80 1vs6 h MET 92 CO -0.08 0.20 -2.10 1.51 0.23 0.00 0.00 176.91 176.67 1vs6 n ILE 93 N -3.39 0.54 0.06 1.77 3.06 0.17 -4.20 119.36 117.36 1vs6 n ILE 93 Ca -0.00 -0.61 0.01 0.00 -2.50 0.00 0.00 62.75 59.65 1vs6 n ILE 93 Cb 0.40 -0.18 0.04 0.00 0.54 0.00 0.00 39.64 40.43 1vs6 n ILE 93 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1vs6 n ALA 94 N -2.42 1.15 -0.03 1.51 0.00 0.27 -1.43 120.51 119.56 1vs6 n ALA 94 Ca -0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 1vs6 n ALA 94 Cb 0.78 -1.02 0.25 0.00 0.00 0.00 0.00 19.45 19.46 1vs6 n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 h ARG 95 N 0.00 0.59 -2.17 0.00 2.47 -1.73 -3.35 114.38 110.19 1vs6 h ARG 95 Ca 0.00 -0.14 -0.57 0.00 -1.26 0.00 0.00 59.98 58.01 1vs6 h ARG 95 Cb 0.02 -0.08 -0.38 0.00 -1.65 0.00 0.00 29.97 27.89 1vs6 h ARG 95 CO 0.00 0.63 -1.01 -2.13 0.56 0.00 0.00 179.97 178.02 1vs6 n ARG 96 N -4.25 0.38 -1.53 0.04 0.00 -0.52 -5.07 116.66 105.71 1vs6 n ARG 96 Ca 0.02 -3.14 -0.22 0.00 -0.00 0.00 0.00 57.85 54.51 1vs6 n ARG 96 Cb 0.27 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 31.09 1vs6 n ARG 96 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1vs6 n PRO 97 N 2.33 0.34 0.00 -0.14 -0.02 -1.25 -4.78 135.00 131.48 1vs6 n PRO 97 Ca 0.26 -0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1vs6 n PRO 97 Cb 0.50 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1vs6 n PRO 97 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1vs6 n GLU 98 N 7.53 1.85 -1.31 -0.52 0.28 -1.26 -4.92 120.64 122.28 1vs6 n GLU 98 Ca 0.56 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 57.22 1vs6 n GLU 98 Cb 0.29 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.08 1vs6 n GLU 98 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1vs6 n ARG 99 N 0.00 0.89 -3.21 3.44 0.63 -1.26 -4.36 116.66 112.79 1vs6 n ARG 99 Ca 0.00 -1.78 0.00 0.00 -0.92 0.00 0.00 57.85 55.15 1vs6 n ARG 99 Cb 0.00 -3.23 0.00 0.00 0.45 0.00 0.00 32.46 29.68 1vs6 n ARG 99 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1vs6 n VAL 100 N 7.32 0.00 0.00 5.15 3.14 -1.26 -4.95 118.33 127.73 1vs6 n VAL 100 Ca 0.46 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.84 1vs6 n VAL 100 Cb 0.44 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.22 1vs6 n VAL 100 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1vs6 n ILE 101 N 0.63 0.00 0.17 1.55 3.06 -1.26 0.15 119.36 123.66 1vs6 n ILE 101 Ca 0.00 0.00 0.13 0.00 -2.50 0.00 0.00 62.75 60.38 1vs6 n ILE 101 Cb 0.00 0.00 0.69 0.00 0.54 0.00 0.00 39.64 40.87 1vs6 n ILE 101 CO 0.00 0.00 0.00 1.05 -2.50 0.00 0.00 176.55 175.10 1vs6 h GLU 102 N 0.00 0.00 -0.99 9.51 9.09 -1.93 0.30 114.58 130.57 1vs6 h GLU 102 Ca 0.00 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.25 1vs6 h GLU 102 Cb 0.00 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.01 1vs6 h GLU 102 CO 0.00 0.00 0.20 -0.89 0.05 0.00 0.00 179.01 178.37 1vs6 n ILE 103 N -4.38 1.66 1.09 -1.06 2.08 0.40 -4.04 119.36 115.10 1vs6 n ILE 103 Ca 0.02 -0.62 0.13 0.00 0.56 0.00 0.00 62.75 62.83 1vs6 n ILE 103 Cb 0.29 -0.78 0.62 0.00 -0.75 0.00 0.00 39.64 39.01 1vs6 n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1vs6 n ALA 104 N -0.03 2.26 0.06 -1.39 0.00 0.11 -3.04 120.51 118.48 1vs6 n ALA 104 Ca 0.19 -0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.45 1vs6 n ALA 104 Cb 0.86 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 18.77 1vs6 n ALA 104 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1vs6 h VAL 105 N 0.00 1.72 -0.78 0.00 3.04 -1.81 -3.31 116.25 115.10 1vs6 h VAL 105 Ca 0.00 -3.42 0.16 0.00 -1.01 0.00 0.00 66.70 62.43 1vs6 h VAL 105 Cb 0.33 2.85 -0.10 0.00 -2.01 0.00 0.00 31.29 32.36 1vs6 h VAL 105 CO 0.00 0.98 0.29 0.50 -1.01 0.00 0.00 177.57 178.33 1vs6 h LYS 106 N 0.00 0.40 0.00 4.17 3.64 -1.88 0.45 116.57 123.35 1vs6 h LYS 106 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1vs6 h LYS 106 Cb 1.77 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 1vs6 h LYS 106 CO 0.13 0.26 0.00 0.78 -2.27 0.00 0.00 179.45 178.35 1vs6 h GLY 107 N 0.41 0.00 0.53 5.01 0.00 -1.78 -2.96 103.07 104.29 1vs6 h GLY 107 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1vs6 h GLY 107 CO -0.44 0.00 -0.64 1.03 0.00 0.00 0.00 176.54 176.49 1vs6 n MET 108 N -2.61 0.12 -2.47 4.80 2.81 0.15 -4.95 117.12 114.98 1vs6 n MET 108 Ca 0.02 -0.08 -0.27 0.00 -1.81 0.00 0.00 57.70 55.56 1vs6 n MET 108 Cb 0.31 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.34 1vs6 n MET 108 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1vs6 s LEU 109 N -2.94 3.36 0.66 4.03 1.43 -0.54 -4.93 118.68 119.76 1vs6 s LEU 109 Ca 0.11 0.78 0.19 0.00 -1.03 0.00 0.00 54.13 54.18 1vs6 s LEU 109 Cb 0.17 -3.65 1.02 0.00 0.03 0.00 0.00 46.19 43.76 1vs6 s LEU 109 CO 0.73 -0.91 1.57 -0.65 0.23 0.00 0.00 176.35 177.32 1vs6 h PRO 110 N -0.05 0.00 -2.54 1.29 0.11 -1.87 -3.47 132.00 125.47 1vs6 h PRO 110 Ca -0.46 0.00 0.25 0.00 0.11 0.00 0.00 66.00 65.90 1vs6 h PRO 110 Cb 1.24 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 1vs6 h PRO 110 CO 0.61 0.00 -0.93 1.63 -0.21 0.00 0.00 178.00 179.10 1vs6 n LYS 111 N -2.75 -2.42 0.00 1.05 5.02 -1.26 -4.95 118.16 112.85 1vs6 n LYS 111 Ca -0.01 1.98 0.00 0.00 -2.02 0.00 0.00 58.31 58.26 1vs6 n LYS 111 Cb 0.62 -2.83 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 1vs6 n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vs6 n GLY 112 N -3.70 -1.03 3.61 0.72 0.00 -1.26 -4.47 105.19 99.06 1vs6 n GLY 112 Ca -0.07 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 1vs6 n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vs6 s PRO 113 N 0.00 -0.12 0.00 1.61 0.04 -1.26 -1.62 135.00 133.65 1vs6 s PRO 113 Ca 0.00 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.66 1vs6 s PRO 113 Cb 0.00 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.88 1vs6 s PRO 113 CO 0.00 -3.13 0.00 -0.11 0.04 0.00 0.00 177.00 173.80 1vs6 n LEU 114 N -4.47 0.00 -0.08 -3.56 0.00 -1.26 -3.81 117.00 103.82 1vs6 n LEU 114 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 56.01 55.98 1vs6 n LEU 114 Cb 0.56 0.00 0.10 0.00 0.00 0.00 0.00 43.42 44.08 1vs6 n LEU 114 CO 0.57 0.00 0.72 1.23 0.00 0.00 0.00 177.39 179.92 1vs6 h GLY 115 N 0.00 0.82 2.00 -3.96 0.00 -1.78 -0.93 103.07 99.22 1vs6 h GLY 115 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1vs6 h GLY 115 CO 0.00 0.62 0.00 -2.13 0.00 0.00 0.00 176.54 175.03 1vs6 n ARG 116 N -4.12 0.10 0.09 4.80 0.63 -0.64 -2.25 116.66 115.28 1vs6 n ARG 116 Ca 0.00 0.35 0.02 0.00 -0.92 0.00 0.00 57.85 57.30 1vs6 n ARG 116 Cb 0.42 -1.70 0.39 0.00 0.45 0.00 0.00 32.46 32.01 1vs6 n ARG 116 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vs6 h ALA 117 N 2.37 1.52 0.00 5.13 0.00 -1.43 -3.20 119.26 123.65 1vs6 h ALA 117 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1vs6 h ALA 117 Cb 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1vs6 h ALA 117 CO 0.00 0.34 -0.01 0.52 0.00 0.00 0.00 179.25 180.11 1vs6 h MET 118 N 0.30 0.00 0.00 0.00 2.86 -1.55 -3.44 114.93 113.10 1vs6 h MET 118 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1vs6 h MET 118 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1vs6 h MET 118 CO 0.01 0.00 0.00 1.97 1.06 0.00 0.00 176.91 179.95 1vs6 n PHE 119 N -4.76 0.00 0.09 -0.22 -1.74 -1.21 -0.17 117.46 109.45 1vs6 n PHE 119 Ca -0.00 0.00 0.05 0.00 -0.56 0.00 0.00 57.45 56.94 1vs6 n PHE 119 Cb 0.00 0.00 0.28 0.00 1.52 0.00 0.00 39.48 41.29 1vs6 n PHE 119 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 1vs6 n ARG 120 N 0.00 0.07 -0.45 3.97 0.00 -1.26 -3.94 116.66 115.05 1vs6 n ARG 120 Ca 0.00 0.53 -0.12 0.00 -0.00 0.00 0.00 57.85 58.25 1vs6 n ARG 120 Cb 0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 32.46 30.61 1vs6 n ARG 120 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1vs6 n LYS 121 N -1.85 1.21 0.00 -0.14 5.02 0.76 -0.71 118.16 122.45 1vs6 n LYS 121 Ca -0.01 -0.97 0.00 0.00 -2.02 0.00 0.00 58.31 55.31 1vs6 n LYS 121 Cb 0.13 -2.18 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 1vs6 n LYS 121 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1vs6 n LEU 122 N 4.20 0.00 -1.20 -0.35 -0.00 -1.25 -4.83 117.00 113.57 1vs6 n LEU 122 Ca 0.26 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 56.36 1vs6 n LEU 122 Cb 0.13 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.49 1vs6 n LEU 122 CO 0.55 0.00 -0.48 0.29 -0.00 0.00 0.00 177.39 177.75 1vs6 n LYS 123 N 0.00 -2.90 0.00 1.47 4.76 0.11 -3.40 118.16 118.20 1vs6 n LYS 123 Ca 0.00 2.33 0.00 0.00 -2.87 0.00 0.00 58.31 57.77 1vs6 n LYS 123 Cb 0.00 -3.17 0.00 0.00 -1.84 0.00 0.00 35.03 30.02 1vs6 n LYS 123 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1vs6 n VAL 124 N -3.39 0.00 -1.52 -0.18 0.31 -1.26 -2.38 118.33 109.92 1vs6 n VAL 124 Ca -0.05 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.38 1vs6 n VAL 124 Cb 0.50 -0.33 -0.03 0.00 -0.91 0.00 0.00 33.84 33.07 1vs6 n VAL 124 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1vs6 n TYR 125 N -2.09 -2.78 -2.75 3.52 4.01 -1.26 -2.68 117.16 113.14 1vs6 n TYR 125 Ca 0.00 0.92 -0.08 0.00 -0.16 0.00 0.00 57.90 58.58 1vs6 n TYR 125 Cb 0.00 -1.67 0.05 0.00 -0.31 0.00 0.00 39.34 37.41 1vs6 n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1vs6 n ALA 126 N -1.48 -1.57 -0.39 -0.72 0.00 -1.06 -4.41 120.51 110.89 1vs6 n ALA 126 Ca 0.01 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.13 1vs6 n ALA 126 Cb 0.34 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1vs6 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs6 n GLY 127 N 1.73 0.19 7.00 0.00 0.00 -1.26 -4.78 105.19 108.08 1vs6 n GLY 127 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1vs6 n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vs6 n ASN 128 N 0.00 0.00 -3.42 1.61 5.15 -1.26 -3.67 115.26 113.67 1vs6 n ASN 128 Ca 0.00 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.58 1vs6 n ASN 128 Cb 0.07 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.34 1vs6 n ASN 128 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1vs6 n GLU 129 N 13.08 4.64 -0.07 1.20 1.02 -1.26 -4.39 120.64 134.86 1vs6 n GLU 129 Ca 0.00 -4.19 -0.15 0.00 -0.02 0.00 0.00 57.16 52.81 1vs6 n GLU 129 Cb 0.00 -2.43 -0.06 0.00 -0.02 0.00 0.00 31.44 28.93 1vs6 n GLU 129 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1vs6 n HIS 130 N 0.07 0.00 -3.63 -0.32 -0.00 -1.24 -4.93 115.22 105.17 1vs6 n HIS 130 Ca 0.50 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 58.40 1vs6 n HIS 130 Cb 0.26 -0.53 -0.16 0.00 -0.12 0.00 0.00 29.99 29.44 1vs6 n HIS 130 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1vs6 s ASN 131 N -6.11 3.12 -0.87 0.26 3.04 -1.26 -5.08 114.94 108.03 1vs6 s ASN 131 Ca -0.20 -1.04 -0.04 0.00 0.04 0.00 0.00 52.86 51.62 1vs6 s ASN 131 Cb 0.07 -0.43 0.22 0.00 -1.54 0.00 0.00 41.25 39.57 1vs6 s ASN 131 CO 0.27 -0.38 0.77 -2.28 -3.04 0.00 0.00 177.10 172.44 1vs6 s HIS 132 N 2.00 3.86 -1.98 0.43 2.46 -1.26 -4.87 115.29 115.93 1vs6 s HIS 132 Ca 0.05 -2.87 0.07 0.00 0.47 0.00 0.00 55.06 52.78 1vs6 s HIS 132 Cb -0.16 -3.35 0.40 0.00 -0.13 0.00 0.00 32.58 29.33 1vs6 s HIS 132 CO -0.21 -0.80 0.87 0.00 -2.47 0.00 0.00 174.74 172.13 1vs6 n ALA 133 N 2.67 1.74 -2.67 1.58 0.00 -1.26 -4.66 120.51 117.91 1vs6 n ALA 133 Ca 0.19 -0.04 -0.18 0.00 0.00 0.00 0.00 53.44 53.41 1vs6 n ALA 133 Cb 0.38 -1.11 0.08 0.00 0.00 0.00 0.00 19.45 18.80 1vs6 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 n ALA 134 N -1.01 0.38 -1.74 0.00 0.00 -1.26 -5.03 120.51 111.85 1vs6 n ALA 134 Ca 0.05 -1.49 -0.42 0.00 0.00 0.00 0.00 53.44 51.58 1vs6 n ALA 134 Cb 0.02 0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 1vs6 n ALA 134 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1vs6 s GLN 135 N -4.28 4.13 -0.04 0.00 0.74 -1.26 -4.92 119.66 114.02 1vs6 s GLN 135 Ca 0.48 2.60 0.02 0.00 0.05 0.00 0.00 55.36 58.52 1vs6 s GLN 135 Cb -0.03 -3.08 -0.25 0.00 1.10 0.00 0.00 33.01 30.74 1vs6 s GLN 135 CO 0.32 -0.75 0.69 0.37 -0.55 0.00 0.00 175.29 175.37 1vs6 h GLN 136 N 6.82 0.15 -5.57 1.67 5.75 -1.96 -3.49 115.11 118.49 1vs6 h GLN 136 Ca -0.43 -0.25 -0.12 0.00 -0.15 0.00 0.00 58.65 57.70 1vs6 h GLN 136 Cb 1.20 0.09 0.07 0.00 1.07 0.00 0.00 27.48 29.91 1vs6 h GLN 136 CO 0.96 0.90 -0.16 -2.30 -2.65 0.00 0.00 178.83 175.58 1vs6 n PRO 137 N -3.30 -1.30 0.00 -2.39 -0.02 -1.26 -4.74 135.00 121.98 1vs6 n PRO 137 Ca -0.20 -0.39 0.00 0.00 -2.02 0.00 0.00 63.50 60.90 1vs6 n PRO 137 Cb 1.04 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 33.27 1vs6 n PRO 137 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1vs6 n GLN 138 N -0.08 0.00 -3.91 -0.52 6.02 -1.26 -4.98 117.38 112.65 1vs6 n GLN 138 Ca 0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.95 1vs6 n GLN 138 Cb 0.20 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.42 1vs6 n GLN 138 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1vs6 s VAL 139 N 0.00 0.00 0.00 5.09 -7.23 -1.26 -4.69 120.40 112.31 1vs6 s VAL 139 Ca 0.00 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1vs6 s VAL 139 Cb 0.00 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.86 1vs6 s VAL 139 CO 0.00 0.00 0.00 0.18 -0.31 0.00 0.00 175.10 174.97