#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs8 n GLN 3 N 0.00 -4.74 -0.46 6.28 7.27 -1.24 -4.77 117.38 119.72 1vs8 n GLN 3 Ca 0.00 3.57 -0.27 0.00 0.07 0.00 0.00 57.00 60.37 1vs8 n GLN 3 Cb 0.00 -4.14 0.22 0.00 2.41 0.00 0.00 30.24 28.73 1vs8 n GLN 3 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1vs8 n GLU 4 N -1.38 -2.97 0.00 3.69 1.02 -1.26 -4.35 120.64 115.38 1vs8 n GLU 4 Ca 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 57.16 56.27 1vs8 n GLU 4 Cb 0.14 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 1vs8 n GLU 4 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1vs8 n GLN 5 N -3.66 0.00 -1.37 3.49 1.13 0.66 -4.92 117.38 112.71 1vs8 n GLN 5 Ca 0.06 0.00 0.17 0.00 -1.94 0.00 0.00 57.00 55.29 1vs8 n GLN 5 Cb 0.53 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.82 1vs8 n GLN 5 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1vs8 n THR 6 N 0.00 0.00 -3.48 5.09 -1.04 -1.26 -1.47 114.28 112.12 1vs8 n THR 6 Ca 0.00 0.37 -0.13 0.00 -2.04 0.00 0.00 64.05 62.25 1vs8 n THR 6 Cb 0.00 -0.82 -0.11 0.00 -1.82 0.00 0.00 70.33 67.58 1vs8 n THR 6 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1vs8 s MET 7 N -3.07 0.25 0.56 -2.82 -1.94 -1.26 -3.86 119.30 107.15 1vs8 s MET 7 Ca 0.00 0.49 0.07 0.00 -1.71 0.00 0.00 55.69 54.53 1vs8 s MET 7 Cb 0.00 -0.61 0.06 0.00 2.01 0.00 0.00 34.83 36.28 1vs8 s MET 7 CO 0.00 -0.56 0.54 -0.51 -0.01 0.00 0.00 175.02 174.49 1vs8 s LEU 8 N 2.45 2.84 0.00 -0.03 1.02 -1.02 -4.94 118.68 119.00 1vs8 s LEU 8 Ca 0.08 -1.10 0.00 0.00 0.02 0.00 0.00 54.13 53.12 1vs8 s LEU 8 Cb -0.15 -1.35 0.00 0.00 0.02 0.00 0.00 46.19 44.72 1vs8 s LEU 8 CO -0.13 -1.19 0.00 0.59 0.02 0.00 0.00 176.35 175.64 1vs8 n ASN 9 N -1.94 0.00 -3.15 2.29 4.13 0.10 -2.70 115.26 113.99 1vs8 n ASN 9 Ca 0.05 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.36 1vs8 n ASN 9 Cb 0.63 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.86 1vs8 n ASN 9 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1vs8 s VAL 10 N 4.04 -0.52 -0.79 2.41 -7.23 -1.26 -4.40 120.40 112.64 1vs8 s VAL 10 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.14 1vs8 s VAL 10 Cb 0.00 -0.95 0.23 0.00 0.56 0.00 0.00 36.38 36.22 1vs8 s VAL 10 CO 0.00 0.00 2.28 0.00 -0.31 0.00 0.00 175.10 177.07 1vs8 n ALA 11 N 5.44 6.47 -2.12 1.32 0.00 -1.26 -4.82 120.51 125.54 1vs8 n ALA 11 Ca -0.04 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.56 1vs8 n ALA 11 Cb 0.53 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1vs8 n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1vs8 n ASP 12 N 0.21 1.68 -3.47 0.00 5.75 -1.26 0.96 116.55 120.42 1vs8 n ASP 12 Ca 0.52 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 55.20 1vs8 n ASP 12 Cb 0.34 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.41 1vs8 n ASP 12 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1vs8 s ASN 13 N 2.00 0.21 -0.16 -1.12 4.22 -1.25 -4.58 114.94 114.26 1vs8 s ASN 13 Ca 0.00 -1.12 -0.08 0.00 -2.14 0.00 0.00 52.86 49.52 1vs8 s ASN 13 Cb 0.00 0.70 0.03 0.00 1.28 0.00 0.00 41.25 43.26 1vs8 s ASN 13 CO 0.00 -1.36 0.16 -0.24 -2.04 0.00 0.00 177.10 173.62 1vs8 n SER 14 N -0.98 -1.68 -0.05 3.54 2.88 -1.26 -4.59 113.62 111.48 1vs8 n SER 14 Ca -0.03 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1vs8 n SER 14 Cb 0.61 -4.31 0.00 0.00 -0.75 0.00 0.00 64.21 59.76 1vs8 n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vs8 n GLY 15 N 1.18 1.38 2.68 0.46 0.00 -1.23 -4.56 105.19 105.10 1vs8 n GLY 15 Ca -0.28 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 1vs8 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vs8 n ALA 16 N -0.84 -4.46 -1.25 4.61 0.00 -1.26 -4.55 120.51 112.75 1vs8 n ALA 16 Ca 0.00 -1.30 0.15 0.00 0.00 0.00 0.00 53.44 52.29 1vs8 n ALA 16 Cb 0.12 -0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1vs8 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vs8 n ARG 17 N -5.24 -2.48 -0.23 0.00 1.74 -1.26 -1.58 116.66 107.61 1vs8 n ARG 17 Ca 0.12 1.87 -0.08 0.00 -0.77 0.00 0.00 57.85 58.98 1vs8 n ARG 17 Cb 0.51 -3.07 -0.01 0.00 -1.02 0.00 0.00 32.46 28.87 1vs8 n ARG 17 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1vs8 n ARG 18 N -3.83 0.00 -3.69 5.56 5.12 -1.26 -4.54 116.66 114.02 1vs8 n ARG 18 Ca -0.03 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.78 1vs8 n ARG 18 Cb 0.64 -0.18 -0.11 0.00 -1.16 0.00 0.00 32.46 31.65 1vs8 n ARG 18 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1vs8 s VAL 19 N -0.12 -0.18 -0.05 1.55 -7.23 -1.10 -2.92 120.40 110.35 1vs8 s VAL 19 Ca 0.11 0.12 -0.15 0.00 -1.81 0.00 0.00 61.98 60.25 1vs8 s VAL 19 Cb -0.16 -0.61 -0.05 0.00 0.56 0.00 0.00 36.38 36.11 1vs8 s VAL 19 CO 0.09 0.05 0.40 -0.32 -0.31 0.00 0.00 175.10 175.01 1vs8 s MET 20 N 1.70 4.03 0.37 4.82 1.75 -1.08 -2.44 119.30 128.45 1vs8 s MET 20 Ca -0.07 0.36 -0.25 0.00 -1.25 0.00 0.00 55.69 54.47 1vs8 s MET 20 Cb -0.09 -3.29 -0.09 0.00 2.84 0.00 0.00 34.83 34.19 1vs8 s MET 20 CO -0.13 0.52 1.02 0.00 -0.65 0.00 0.00 175.02 175.79 1vs8 n ILE 22 N 0.21 0.00 -3.65 0.00 -5.35 0.08 -0.24 119.36 110.40 1vs8 n ILE 22 Ca 0.04 -0.16 -0.06 0.00 -0.27 0.00 0.00 62.75 62.29 1vs8 n ILE 22 Cb 0.49 0.70 -0.07 0.00 -1.74 0.00 0.00 39.64 39.02 1vs8 n ILE 22 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1vs8 s LYS 23 N -0.80 0.64 -0.56 6.28 2.47 -1.23 -4.71 119.74 121.83 1vs8 s LYS 23 Ca 0.00 1.22 -0.21 0.00 -1.56 0.00 0.00 55.97 55.41 1vs8 s LYS 23 Cb 0.00 0.25 0.06 0.00 -1.46 0.00 0.00 37.83 36.68 1vs8 s LYS 23 CO 0.00 -0.16 0.79 0.08 0.16 0.00 0.00 175.35 176.22 1vs8 s VAL 24 N 1.85 4.62 0.08 4.02 1.01 -1.26 -1.71 120.40 129.01 1vs8 s VAL 24 Ca -0.09 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1vs8 s VAL 24 Cb -0.07 -4.46 -0.06 0.00 0.00 0.00 0.00 36.38 31.79 1vs8 s VAL 24 CO -0.19 -1.05 1.15 -0.76 0.00 0.00 0.00 175.10 174.26 1vs8 s LEU 25 N 3.30 4.39 0.00 3.92 1.43 -1.26 -4.67 118.68 125.80 1vs8 s LEU 25 Ca 0.21 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.30 1vs8 s LEU 25 Cb -0.17 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1vs8 s LEU 25 CO 0.13 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 176.93 1vs8 n GLY 26 N 2.92 0.00 0.00 -3.19 0.00 -1.26 -4.81 105.19 98.85 1vs8 n GLY 26 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1vs8 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs8 n GLY 27 N 0.00 -0.43 3.38 -0.02 0.00 -1.26 -4.76 105.19 102.10 1vs8 n GLY 27 Ca 0.00 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 1vs8 n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vs8 n SER 28 N -1.12 -2.37 -2.12 1.61 7.64 -1.26 -2.96 113.62 113.05 1vs8 n SER 28 Ca 0.00 0.30 -0.00 0.00 1.01 0.00 0.00 58.87 60.17 1vs8 n SER 28 Cb 0.00 -1.16 -0.00 0.00 -1.01 0.00 0.00 64.21 62.04 1vs8 n SER 28 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1vs8 n HIS 29 N -3.57 -1.73 -1.60 1.43 8.25 -1.26 -4.81 115.22 111.93 1vs8 n HIS 29 Ca 0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.09 1vs8 n HIS 29 Cb 0.54 -1.03 -0.03 0.00 1.12 0.00 0.00 29.99 30.59 1vs8 n HIS 29 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1vs8 n ARG 30 N -2.12 1.93 0.09 -0.41 5.12 -1.16 -4.87 116.66 115.24 1vs8 n ARG 30 Ca -0.00 0.52 -0.03 0.00 -1.93 0.00 0.00 57.85 56.40 1vs8 n ARG 30 Cb 0.37 -3.24 -0.02 0.00 -1.16 0.00 0.00 32.46 28.42 1vs8 n ARG 30 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1vs8 h ARG 31 N 15.21 -0.22 -5.05 5.56 2.47 -1.92 -3.44 114.38 126.99 1vs8 h ARG 31 Ca -0.40 0.01 -0.59 0.00 -1.26 0.00 0.00 59.98 57.74 1vs8 h ARG 31 Cb 1.24 0.05 -0.13 0.00 -1.65 0.00 0.00 29.97 29.48 1vs8 h ARG 31 CO 0.96 -0.15 -0.50 0.71 0.56 0.00 0.00 179.97 181.56 1vs8 s TYR 32 N -3.22 1.79 0.06 3.04 2.02 -1.26 -3.63 117.35 116.15 1vs8 s TYR 32 Ca -0.03 -1.28 0.05 0.00 -0.37 0.00 0.00 57.07 55.45 1vs8 s TYR 32 Cb 0.00 -1.21 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 1vs8 s TYR 32 CO 0.10 -0.26 -0.15 0.00 -1.57 0.00 0.00 175.55 173.67 1vs8 s ALA 33 N -3.15 1.26 0.00 3.71 0.00 -1.26 -4.75 121.76 117.58 1vs8 s ALA 33 Ca 0.20 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1vs8 s ALA 33 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1vs8 s ALA 33 CO 0.13 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.52 1vs8 n GLY 34 N 1.58 5.59 3.76 0.00 0.00 -1.26 -2.71 105.19 112.15 1vs8 n GLY 34 Ca -0.19 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.32 1vs8 n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vs8 s VAL 35 N 0.47 2.82 -0.29 1.61 -7.23 -1.25 -2.39 120.40 114.14 1vs8 s VAL 35 Ca 0.00 0.75 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 1vs8 s VAL 35 Cb 0.00 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.46 1vs8 s VAL 35 CO 0.00 0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 1vs8 n GLY 36 N 1.49 0.52 3.38 2.32 0.00 -0.56 -4.90 105.19 107.44 1vs8 n GLY 36 Ca 0.03 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 1vs8 n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vs8 s ASP 37 N -2.95 4.58 0.39 1.61 1.01 -1.01 -4.89 116.67 115.43 1vs8 s ASP 37 Ca 0.00 -0.30 -0.27 0.00 0.71 0.00 0.00 52.55 52.70 1vs8 s ASP 37 Cb 0.00 -1.79 -0.09 0.00 1.01 0.00 0.00 42.92 42.05 1vs8 s ASP 37 CO 0.00 0.02 1.34 -0.63 0.21 0.00 0.00 175.17 176.11 1vs8 s ILE 38 N 1.27 2.48 -0.01 0.77 -1.09 -1.26 -3.06 121.20 120.30 1vs8 s ILE 38 Ca 0.04 0.45 -0.14 0.00 -2.23 0.00 0.00 60.65 58.76 1vs8 s ILE 38 Cb -0.14 -3.27 0.02 0.00 -1.58 0.00 0.00 42.46 37.48 1vs8 s ILE 38 CO -0.00 0.08 0.30 -0.63 -1.23 0.00 0.00 174.94 173.46 1vs8 s ILE 39 N -1.21 0.06 -0.11 2.92 -1.09 0.36 -4.04 121.20 118.08 1vs8 s ILE 39 Ca 0.55 -0.49 -0.28 0.00 -2.23 0.00 0.00 60.65 58.20 1vs8 s ILE 39 Cb -0.40 -0.60 -0.02 0.00 -1.58 0.00 0.00 42.46 39.86 1vs8 s ILE 39 CO 0.53 -0.27 0.94 -0.75 -1.23 0.00 0.00 174.94 174.16 1vs8 s LYS 40 N -1.33 4.40 0.27 2.79 2.47 -0.69 0.17 119.74 127.81 1vs8 s LYS 40 Ca -0.14 1.27 0.08 0.00 -1.56 0.00 0.00 55.97 55.62 1vs8 s LYS 40 Cb -0.05 -3.54 -0.05 0.00 -1.46 0.00 0.00 37.83 32.72 1vs8 s LYS 40 CO 0.04 -0.28 -0.11 -1.50 0.16 0.00 0.00 175.35 173.66 1vs8 s ILE 41 N 1.90 1.89 -0.20 5.43 1.10 0.08 -0.74 121.20 130.66 1vs8 s ILE 41 Ca 0.45 -2.21 -0.04 0.00 -0.51 0.00 0.00 60.65 58.35 1vs8 s ILE 41 Cb -0.18 -2.33 0.07 0.00 0.15 0.00 0.00 42.46 40.17 1vs8 s ILE 41 CO 0.17 -0.39 0.07 -0.89 -2.11 0.00 0.00 174.94 171.79 1vs8 s THR 42 N -2.87 0.24 -0.20 4.00 2.01 0.08 -2.13 115.64 116.77 1vs8 s THR 42 Ca 0.28 -0.48 -0.39 0.00 0.31 0.00 0.00 61.69 61.41 1vs8 s THR 42 Cb 0.01 -0.89 -0.16 0.00 0.01 0.00 0.00 72.50 71.48 1vs8 s THR 42 CO 0.12 -0.33 1.68 -0.38 -0.69 0.00 0.00 174.62 175.02 1vs8 n ILE 43 N 5.15 0.26 -0.94 1.82 -0.00 0.26 -2.62 119.36 123.29 1vs8 n ILE 43 Ca -0.07 -0.05 0.05 0.00 -0.00 0.00 0.00 62.75 62.68 1vs8 n ILE 43 Cb 0.47 -1.18 0.07 0.00 -0.00 0.00 0.00 39.64 39.00 1vs8 n ILE 43 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1vs8 n LYS 44 N 4.91 1.38 0.00 0.38 4.81 -1.16 -0.92 118.16 127.56 1vs8 n LYS 44 Ca 0.25 -1.82 0.00 0.00 -0.87 0.00 0.00 58.31 55.87 1vs8 n LYS 44 Cb 0.15 -1.10 0.00 0.00 0.02 0.00 0.00 35.03 34.10 1vs8 n LYS 44 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1vs8 n GLU 45 N -0.80 0.00 -1.31 1.64 -0.58 -1.15 -4.89 120.64 113.55 1vs8 n GLU 45 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1vs8 n GLU 45 Cb 0.53 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.40 1vs8 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vs8 n ALA 46 N -1.62 -1.77 -2.64 0.62 0.00 -0.61 -4.53 120.51 109.96 1vs8 n ALA 46 Ca 0.00 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 53.55 1vs8 n ALA 46 Cb 0.00 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 1vs8 n ALA 46 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1vs8 s ILE 47 N -4.30 5.11 0.61 0.00 -4.36 -1.26 -4.87 121.20 112.12 1vs8 s ILE 47 Ca 0.00 -0.12 0.29 0.00 -0.26 0.00 0.00 60.65 60.55 1vs8 s ILE 47 Cb 0.00 -3.72 0.36 0.00 1.25 0.00 0.00 42.46 40.35 1vs8 s ILE 47 CO 0.00 -0.22 1.89 1.55 0.24 0.00 0.00 174.94 178.40 1vs8 h PRO 48 N 1.93 0.00 0.00 0.37 0.13 -1.97 -3.41 132.00 129.05 1vs8 h PRO 48 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1vs8 h PRO 48 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1vs8 h PRO 48 CO 0.68 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.99 1vs8 n ARG 49 N -3.52 1.38 -1.08 0.86 5.12 -1.26 -5.03 116.66 113.14 1vs8 n ARG 49 Ca 0.06 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.07 1vs8 n ARG 49 Cb 0.61 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.86 1vs8 n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vs8 n GLY 50 N 5.00 -3.34 2.89 -0.13 0.00 -1.26 -4.59 105.19 103.76 1vs8 n GLY 50 Ca 0.00 -1.11 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 1vs8 n GLY 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vs8 n LYS 51 N -3.36 2.83 -3.29 1.61 4.76 -1.26 -4.76 118.16 114.70 1vs8 n LYS 51 Ca -0.05 -3.59 -0.08 0.00 -2.87 0.00 0.00 58.31 51.72 1vs8 n LYS 51 Cb 0.46 -2.27 -0.05 0.00 -1.84 0.00 0.00 35.03 31.33 1vs8 n LYS 51 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1vs8 s VAL 52 N -5.09 -0.67 0.31 -0.18 1.01 -1.26 -4.94 120.40 109.57 1vs8 s VAL 52 Ca 0.52 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.29 1vs8 s VAL 52 Cb 0.43 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 1vs8 s VAL 52 CO -0.40 -0.26 0.27 -1.59 0.00 0.00 0.00 175.10 173.12 1vs8 s LYS 53 N 2.56 2.80 0.68 2.72 -2.85 -1.26 -3.50 119.74 120.90 1vs8 s LYS 53 Ca 0.10 -1.21 -0.17 0.00 -1.00 0.00 0.00 55.97 53.68 1vs8 s LYS 53 Cb -0.12 -2.52 -0.11 0.00 -2.06 0.00 0.00 37.83 33.02 1vs8 s LYS 53 CO -0.30 0.19 -0.06 1.17 0.10 0.00 0.00 175.35 176.44 1vs8 n LYS 54 N -1.33 0.10 0.00 1.78 4.81 -1.26 -2.06 118.16 120.21 1vs8 n LYS 54 Ca -0.04 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1vs8 n LYS 54 Cb 0.59 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 34.37 1vs8 n LYS 54 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1vs8 n GLY 55 N 2.45 2.06 3.71 3.14 0.00 -0.10 -4.95 105.19 111.50 1vs8 n GLY 55 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1vs8 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vs8 n ASP 56 N 0.09 2.47 -3.97 1.61 8.00 -0.87 -4.71 116.55 119.17 1vs8 n ASP 56 Ca 0.00 1.02 -0.30 0.00 0.71 0.00 0.00 54.79 56.23 1vs8 n ASP 56 Cb 0.00 -1.53 -0.16 0.00 -0.02 0.00 0.00 41.12 39.41 1vs8 n ASP 56 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vs8 s VAL 57 N -1.27 1.49 0.00 2.53 1.01 -1.26 -0.57 120.40 122.33 1vs8 s VAL 57 Ca 0.67 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1vs8 s VAL 57 Cb -0.46 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1vs8 s VAL 57 CO 0.53 0.17 0.00 0.00 0.00 0.00 0.00 175.10 175.80 1vs8 n LEU 58 N 4.74 0.00 -4.57 3.92 -0.00 -0.90 -5.00 117.00 115.20 1vs8 n LEU 58 Ca -0.14 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.62 1vs8 n LEU 58 Cb 0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.80 1vs8 n LEU 58 CO 0.19 0.00 -0.41 -0.54 -0.00 0.00 0.00 177.39 176.64 1vs8 s LYS 59 N 0.30 2.03 -0.09 1.47 1.02 -1.15 -0.74 119.74 122.58 1vs8 s LYS 59 Ca 0.00 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 54.29 1vs8 s LYS 59 Cb 0.00 -2.08 0.07 0.00 -0.52 0.00 0.00 37.83 35.30 1vs8 s LYS 59 CO 0.00 0.40 0.68 0.00 -0.92 0.00 0.00 175.35 175.51 1vs8 s ALA 60 N -2.00 -1.76 0.82 5.17 0.00 0.44 0.41 121.76 124.85 1vs8 s ALA 60 Ca 0.27 1.43 -0.06 0.00 0.00 0.00 0.00 51.96 53.60 1vs8 s ALA 60 Cb -0.07 -0.21 0.14 0.00 0.00 0.00 0.00 23.12 22.98 1vs8 s ALA 60 CO 0.16 -0.36 0.91 1.33 0.00 0.00 0.00 175.76 177.80 1vs8 n VAL 61 N 1.23 0.00 -3.77 0.00 0.24 -1.19 0.14 118.33 114.98 1vs8 n VAL 61 Ca -0.18 -1.01 -0.30 0.00 -2.04 0.00 0.00 64.34 60.81 1vs8 n VAL 61 Cb 0.57 -1.29 -0.14 0.00 -1.47 0.00 0.00 33.84 31.51 1vs8 n VAL 61 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1vs8 s VAL 62 N -2.81 1.56 0.18 3.34 1.01 -1.17 -4.20 120.40 118.31 1vs8 s VAL 62 Ca 0.55 -2.51 -0.08 0.00 0.00 0.00 0.00 61.98 59.94 1vs8 s VAL 62 Cb -0.02 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.30 1vs8 s VAL 62 CO 0.38 -0.84 1.61 0.58 0.00 0.00 0.00 175.10 176.83 1vs8 h VAL 63 N 5.51 1.27 -4.00 2.92 2.07 -1.79 -1.49 116.25 120.74 1vs8 h VAL 63 Ca -0.04 -1.26 -0.13 0.00 0.82 0.00 0.00 66.70 66.09 1vs8 h VAL 63 Cb 0.94 0.97 -0.17 0.00 -1.52 0.00 0.00 31.29 31.50 1vs8 h VAL 63 CO 0.51 0.44 -0.61 -0.13 0.02 0.00 0.00 177.57 177.80 1vs8 s ARG 64 N -4.84 0.54 0.22 1.57 3.00 -1.26 -4.63 118.95 113.54 1vs8 s ARG 64 Ca -0.11 -0.88 -0.23 0.00 0.00 0.00 0.00 55.73 54.51 1vs8 s ARG 64 Cb 0.13 0.20 0.04 0.00 0.00 0.00 0.00 34.95 35.32 1vs8 s ARG 64 CO 0.86 -0.11 0.74 0.95 0.00 0.00 0.00 175.30 177.73 1vs8 s THR 65 N -2.82 0.00 0.13 0.02 -4.23 -0.89 -0.56 115.64 107.30 1vs8 s THR 65 Ca -0.03 -0.65 -0.05 0.00 -1.18 0.00 0.00 61.69 59.77 1vs8 s THR 65 Cb 0.00 -1.70 -0.17 0.00 1.34 0.00 0.00 72.50 71.97 1vs8 s THR 65 CO -0.06 0.00 1.31 0.11 -0.54 0.00 0.00 174.62 175.45 1vs8 h LYS 66 N 2.00 0.46 -0.79 3.99 1.57 -1.64 -2.62 116.57 119.54 1vs8 h LYS 66 Ca -0.24 -0.47 0.15 0.00 -1.87 0.00 0.00 60.65 58.22 1vs8 h LYS 66 Cb 1.26 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.64 1vs8 h LYS 66 CO 0.27 1.12 0.52 0.87 -0.57 0.00 0.00 179.45 181.66 1vs8 h LYS 67 N 0.28 0.46 0.00 3.15 1.57 -1.97 -3.42 116.57 116.63 1vs8 h LYS 67 Ca -0.07 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1vs8 h LYS 67 Cb 1.53 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1vs8 h LYS 67 CO 0.16 0.30 0.00 0.41 -0.57 0.00 0.00 179.45 179.75 1vs8 n GLY 68 N -1.50 -1.94 3.89 3.86 0.00 -1.23 -4.95 105.19 103.32 1vs8 n GLY 68 Ca 0.15 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 1vs8 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vs8 s VAL 69 N -2.23 5.01 -0.25 1.61 1.01 0.17 -4.90 120.40 120.81 1vs8 s VAL 69 Ca 0.00 0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 1vs8 s VAL 69 Cb 0.00 -3.65 0.17 0.00 0.00 0.00 0.00 36.38 32.89 1vs8 s VAL 69 CO 0.00 -0.13 1.24 0.00 0.00 0.00 0.00 175.10 176.21 1vs8 s ARG 70 N -3.01 0.26 0.00 2.72 1.70 -1.26 -0.13 118.95 119.23 1vs8 s ARG 70 Ca 0.45 0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.82 1vs8 s ARG 70 Cb -0.11 0.12 0.00 0.00 -0.57 0.00 0.00 34.95 34.39 1vs8 s ARG 70 CO 0.25 -0.07 0.00 0.54 -1.08 0.00 0.00 175.30 174.94 1vs8 n ARG 71 N 0.88 0.00 0.00 3.89 5.12 -1.25 -4.98 116.66 120.33 1vs8 n ARG 71 Ca -0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1vs8 n ARG 71 Cb 0.58 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.88 1vs8 n ARG 71 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1vs8 n PRO 72 N 0.00 0.00 -0.03 5.56 -0.04 -1.26 -2.76 135.00 136.47 1vs8 n PRO 72 Ca 0.00 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.66 1vs8 n PRO 72 Cb 0.00 0.00 0.68 0.00 -0.04 0.00 0.00 33.50 34.14 1vs8 n PRO 72 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1vs8 h ASP 73 N 0.00 0.03 0.00 3.54 2.03 -2.06 -3.44 116.42 116.52 1vs8 h ASP 73 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1vs8 h ASP 73 Cb 0.00 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1vs8 h ASP 73 CO 0.00 0.02 0.00 0.61 -1.03 0.00 0.00 179.24 178.84 1vs8 n GLY 74 N -1.64 1.61 3.66 7.15 0.00 -1.11 -5.08 105.19 109.78 1vs8 n GLY 74 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1vs8 n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vs8 s SER 75 N -2.00 6.57 -0.79 1.61 0.01 -1.26 -4.73 113.70 113.10 1vs8 s SER 75 Ca 0.00 2.44 -0.11 0.00 1.31 0.00 0.00 55.95 59.59 1vs8 s SER 75 Cb 0.00 -2.53 0.21 0.00 0.21 0.00 0.00 66.02 63.90 1vs8 s SER 75 CO 0.00 -0.97 0.70 -0.69 0.41 0.00 0.00 173.24 172.69 1vs8 s VAL 76 N 4.08 5.14 0.33 3.43 1.01 -1.26 -3.82 120.40 129.30 1vs8 s VAL 76 Ca 0.80 -2.68 -0.27 0.00 0.00 0.00 0.00 61.98 59.83 1vs8 s VAL 76 Cb -0.38 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 31.71 1vs8 s VAL 76 CO 0.35 -1.00 1.00 -0.63 0.00 0.00 0.00 175.10 174.81 1vs8 s ILE 77 N -0.01 3.93 -0.25 2.22 1.01 0.82 -4.86 121.20 124.06 1vs8 s ILE 77 Ca 0.19 1.66 -0.21 0.00 0.00 0.00 0.00 60.65 62.29 1vs8 s ILE 77 Cb -0.12 -3.95 0.07 0.00 0.01 0.00 0.00 42.46 38.46 1vs8 s ILE 77 CO -0.08 0.19 0.66 0.00 0.00 0.00 0.00 174.94 175.71 1vs8 s ARG 78 N -1.95 0.74 0.09 2.79 1.70 -1.26 0.43 118.95 121.49 1vs8 s ARG 78 Ca 0.50 0.99 0.05 0.00 -0.47 0.00 0.00 55.73 56.80 1vs8 s ARG 78 Cb -0.23 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.42 1vs8 s ARG 78 CO 0.29 -0.11 -0.02 -0.06 -1.08 0.00 0.00 175.30 174.32 1vs8 s PHE 79 N 0.70 2.94 -2.30 5.89 0.40 -0.99 -4.96 117.98 119.67 1vs8 s PHE 79 Ca -0.03 -0.05 0.21 0.00 -0.60 0.00 0.00 56.93 56.46 1vs8 s PHE 79 Cb -0.05 -1.52 0.70 0.00 0.51 0.00 0.00 43.02 42.66 1vs8 s PHE 79 CO -0.05 0.47 1.52 -0.40 0.70 0.00 0.00 175.22 177.46 1vs8 n ASP 80 N 0.66 1.86 -4.61 1.36 5.75 -1.26 -2.22 116.55 118.08 1vs8 n ASP 80 Ca -0.12 -1.74 -0.35 0.00 -0.01 0.00 0.00 54.79 52.57 1vs8 n ASP 80 Cb 0.52 -0.12 -0.10 0.00 -1.03 0.00 0.00 41.12 40.39 1vs8 n ASP 80 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1vs8 s GLY 81 N -1.55 1.89 -0.94 6.12 0.00 -1.26 -4.82 107.32 106.76 1vs8 s GLY 81 Ca 0.33 -0.81 -0.09 0.00 0.00 0.00 0.00 44.72 44.15 1vs8 s GLY 81 CO 0.27 0.15 0.88 -1.31 0.00 0.00 0.00 173.10 173.09 1vs8 s ASN 82 N 0.60 6.71 0.93 1.64 -0.87 -1.26 -2.08 114.94 120.60 1vs8 s ASN 82 Ca 0.04 -3.28 0.00 0.00 -1.57 0.00 0.00 52.86 48.05 1vs8 s ASN 82 Cb -0.13 -2.12 0.00 0.00 -0.02 0.00 0.00 41.25 38.98 1vs8 s ASN 82 CO 0.01 -0.36 0.00 0.00 -2.57 0.00 0.00 177.10 174.18 1vs8 n ALA 83 N 3.09 0.00 -1.00 0.60 0.00 0.28 0.02 120.51 123.50 1vs8 n ALA 83 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1vs8 n ALA 83 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1vs8 n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs8 n VAL 85 N -0.75 -5.93 -0.82 0.00 0.31 -1.26 -3.42 118.33 106.46 1vs8 n VAL 85 Ca 0.00 0.78 -0.34 0.00 -0.01 0.00 0.00 64.34 64.77 1vs8 n VAL 85 Cb 0.00 -4.88 0.11 0.00 -0.91 0.00 0.00 33.84 28.16 1vs8 n VAL 85 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1vs8 n LEU 86 N 0.38 -2.51 -3.70 7.52 4.77 -1.26 -3.16 117.00 119.04 1vs8 n LEU 86 Ca -0.06 0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.88 1vs8 n LEU 86 Cb 0.09 -0.90 -0.11 0.00 -2.33 0.00 0.00 43.42 40.17 1vs8 n LEU 86 CO 0.15 -3.57 0.02 -0.76 -1.33 0.00 0.00 177.39 171.90 1vs8 s LEU 87 N 2.12 -0.03 0.52 2.23 1.43 0.17 -4.01 118.68 121.12 1vs8 s LEU 87 Ca 0.50 0.82 -0.21 0.00 -1.03 0.00 0.00 54.13 54.21 1vs8 s LEU 87 Cb -0.10 1.22 -0.06 0.00 0.03 0.00 0.00 46.19 47.28 1vs8 s LEU 87 CO 0.69 -0.19 1.21 0.54 0.23 0.00 0.00 176.35 178.83 1vs8 s ASN 88 N 1.44 5.66 0.00 2.29 4.22 -1.16 -2.96 114.94 124.43 1vs8 s ASN 88 Ca -0.09 2.41 0.00 0.00 -2.14 0.00 0.00 52.86 53.04 1vs8 s ASN 88 Cb -0.09 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.83 1vs8 s ASN 88 CO -0.12 -1.28 0.78 0.59 -2.04 0.00 0.00 177.10 175.03 1vs8 n ASN 89 N -1.00 0.00 0.30 3.54 3.02 -1.26 -3.55 115.26 116.31 1vs8 n ASN 89 Ca 0.10 0.78 0.19 0.00 -0.03 0.00 0.00 54.58 55.62 1vs8 n ASN 89 Cb 0.48 -0.28 1.01 0.00 -0.61 0.00 0.00 39.78 40.38 1vs8 n ASN 89 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1vs8 h ASN 90 N 0.00 0.00 -3.44 6.41 2.35 -2.00 -3.40 115.58 115.51 1vs8 h ASN 90 Ca 0.00 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.36 1vs8 h ASN 90 Cb 0.00 0.00 -0.35 0.00 0.05 0.00 0.00 38.32 38.02 1vs8 h ASN 90 CO 0.00 0.00 -0.76 -0.94 -1.65 0.00 0.00 177.43 174.08 1vs8 s SER 91 N -5.35 0.86 0.00 5.81 1.04 -1.23 -5.02 113.70 109.80 1vs8 s SER 91 Ca -0.05 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1vs8 s SER 91 Cb 0.13 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1vs8 s SER 91 CO 0.44 -0.10 0.31 -0.62 0.98 0.00 0.00 173.24 174.26 1vs8 n GLU 92 N 4.27 0.32 -2.57 4.02 -0.58 -1.26 -4.00 120.64 120.84 1vs8 n GLU 92 Ca -0.22 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.17 1vs8 n GLU 92 Cb 0.50 -1.01 -0.04 0.00 -0.57 0.00 0.00 31.44 30.32 1vs8 n GLU 92 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1vs8 s GLN 93 N -1.94 4.02 0.57 3.49 0.74 -1.26 -4.85 119.66 120.44 1vs8 s GLN 93 Ca 0.00 1.41 -0.19 0.00 0.05 0.00 0.00 55.36 56.63 1vs8 s GLN 93 Cb 0.00 -2.32 -0.04 0.00 1.10 0.00 0.00 33.01 31.74 1vs8 s GLN 93 CO 0.00 -0.25 1.18 -1.25 -0.55 0.00 0.00 175.29 174.43 1vs8 s PRO 94 N -2.86 3.12 -0.17 1.67 0.04 -1.26 -3.01 135.00 132.53 1vs8 s PRO 94 Ca 0.62 1.76 0.16 0.00 0.04 0.00 0.00 61.00 63.58 1vs8 s PRO 94 Cb -0.18 -1.97 0.71 0.00 0.04 0.00 0.00 34.50 33.09 1vs8 s PRO 94 CO 0.23 -1.07 1.62 1.51 0.04 0.00 0.00 177.00 179.33 1vs8 n ILE 95 N -1.46 2.27 -5.11 0.56 3.06 -1.26 -4.81 119.36 112.62 1vs8 n ILE 95 Ca 0.13 -1.41 -0.31 0.00 -2.50 0.00 0.00 62.75 58.66 1vs8 n ILE 95 Cb 0.50 -0.09 -0.15 0.00 0.54 0.00 0.00 39.64 40.43 1vs8 n ILE 95 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1vs8 s GLY 96 N -1.07 1.34 0.02 4.50 0.00 -1.26 -4.94 107.32 105.91 1vs8 s GLY 96 Ca 0.49 -1.20 -0.26 0.00 0.00 0.00 0.00 44.72 43.76 1vs8 s GLY 96 CO 0.18 -1.04 1.14 -0.91 0.00 0.00 0.00 173.10 172.46 1vs8 h THR 97 N 4.35 0.00 -1.34 0.90 1.35 -1.92 -3.47 112.91 112.79 1vs8 h THR 97 Ca -0.45 -0.24 -0.51 0.00 -0.55 0.00 0.00 66.41 64.66 1vs8 h THR 97 Cb 1.13 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.51 1vs8 h THR 97 CO 0.45 0.00 -0.36 0.00 -0.25 0.00 0.00 175.52 175.36 1vs8 s ARG 98 N -4.68 2.45 -0.03 4.72 1.70 -1.26 -5.07 118.95 116.78 1vs8 s ARG 98 Ca -0.14 -1.65 0.02 0.00 -0.47 0.00 0.00 55.73 53.50 1vs8 s ARG 98 Cb 0.01 -2.31 0.01 0.00 -0.57 0.00 0.00 34.95 32.09 1vs8 s ARG 98 CO 0.41 -0.28 -0.09 0.42 -1.08 0.00 0.00 175.30 174.68 1vs8 s ILE 99 N -2.54 0.76 0.39 4.99 1.01 -1.26 -3.83 121.20 120.72 1vs8 s ILE 99 Ca 0.46 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.78 1vs8 s ILE 99 Cb -0.02 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 1vs8 s ILE 99 CO 0.27 0.24 0.59 -0.36 0.00 0.00 0.00 174.94 175.69 1vs8 s PHE 100 N 0.28 3.38 0.31 3.97 2.99 0.27 -3.80 117.98 125.39 1vs8 s PHE 100 Ca -0.04 0.28 0.00 0.00 0.00 0.00 0.00 56.93 57.17 1vs8 s PHE 100 Cb -0.09 -2.06 0.00 0.00 0.00 0.00 0.00 43.02 40.86 1vs8 s PHE 100 CO 0.01 -0.07 0.00 0.41 -0.00 0.00 0.00 175.22 175.56 1vs8 n GLY 101 N -1.90 -1.71 3.84 4.36 0.00 -1.26 -4.65 105.19 103.86 1vs8 n GLY 101 Ca -0.02 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 1vs8 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vs8 s PRO 102 N -2.59 2.12 0.00 1.61 0.04 -1.26 -4.72 135.00 130.20 1vs8 s PRO 102 Ca 0.00 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1vs8 s PRO 102 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1vs8 s PRO 102 CO 0.00 -1.56 0.00 1.33 0.04 0.00 0.00 177.00 176.81 1vs8 n VAL 103 N -3.36 0.00 -3.83 -0.36 0.24 -1.23 -4.84 118.33 104.96 1vs8 n VAL 103 Ca 0.07 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.30 1vs8 n VAL 103 Cb 0.58 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.95 1vs8 n VAL 103 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1vs8 s THR 104 N 3.04 0.00 -2.23 3.34 -4.23 -1.26 -4.86 115.64 109.44 1vs8 s THR 104 Ca 0.00 -0.90 0.25 0.00 -1.18 0.00 0.00 61.69 59.86 1vs8 s THR 104 Cb 0.00 -2.55 0.59 0.00 1.34 0.00 0.00 72.50 71.88 1vs8 s THR 104 CO 0.00 0.00 1.78 -2.11 -0.54 0.00 0.00 174.62 173.75 1vs8 n ARG 105 N -0.53 1.42 0.04 3.99 0.00 -1.26 -3.17 116.66 117.14 1vs8 n ARG 105 Ca -0.06 -0.62 -0.02 0.00 -0.00 0.00 0.00 57.85 57.16 1vs8 n ARG 105 Cb 0.60 -1.42 -0.08 0.00 -0.00 0.00 0.00 32.46 31.56 1vs8 n ARG 105 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1vs8 h GLU 106 N 1.37 0.00 -0.00 2.89 3.07 -1.96 -3.07 114.58 116.88 1vs8 h GLU 106 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1vs8 h GLU 106 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1vs8 h GLU 106 CO 0.00 0.40 -0.07 -0.11 -1.40 0.00 0.00 179.01 177.84 1vs8 n LEU 107 N -3.00 0.18 0.00 1.33 7.94 -1.19 -3.79 117.00 118.47 1vs8 n LEU 107 Ca -0.08 0.22 0.01 0.00 -1.11 0.00 0.00 56.01 55.04 1vs8 n LEU 107 Cb 0.86 -0.29 0.05 0.00 0.53 0.00 0.00 43.42 44.58 1vs8 n LEU 107 CO 0.43 0.04 0.22 -1.14 -1.11 0.00 0.00 177.39 175.83 1vs8 n ARG 108 N -1.23 0.09 -2.12 1.96 3.00 -1.16 -4.41 116.66 112.80 1vs8 n ARG 108 Ca 0.13 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.57 1vs8 n ARG 108 Cb 0.27 -1.31 -0.02 0.00 0.00 0.00 0.00 32.46 31.41 1vs8 n ARG 108 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1vs8 s SER 109 N -1.96 6.64 0.00 6.15 1.04 -1.25 -4.87 113.70 119.45 1vs8 s SER 109 Ca 0.03 2.65 0.04 0.00 0.48 0.00 0.00 55.95 59.14 1vs8 s SER 109 Cb 0.01 -2.64 0.21 0.00 0.10 0.00 0.00 66.02 63.70 1vs8 s SER 109 CO 0.02 -0.62 0.77 -0.62 0.98 0.00 0.00 173.24 173.77 1vs8 n GLU 110 N 0.57 0.59 0.00 4.02 4.71 -1.26 -2.41 120.64 126.87 1vs8 n GLU 110 Ca 0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.16 56.95 1vs8 n GLU 110 Cb 0.43 -1.09 -0.14 0.00 -1.01 0.00 0.00 31.44 29.62 1vs8 n GLU 110 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1vs8 h LYS 111 N 0.00 0.23 0.00 3.49 1.79 -1.91 -3.41 116.57 116.76 1vs8 h LYS 111 Ca 0.00 -0.39 -0.07 0.00 -2.18 0.00 0.00 60.65 58.01 1vs8 h LYS 111 Cb 0.00 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1vs8 h LYS 111 CO 0.00 1.19 -0.70 0.74 -1.08 0.00 0.00 179.45 179.60 1vs8 h PHE 112 N -0.37 0.00 0.00 -1.35 0.05 -1.79 -3.47 116.94 110.01 1vs8 h PHE 112 Ca -0.28 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.51 1vs8 h PHE 112 Cb 1.70 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.65 1vs8 h PHE 112 CO 0.14 0.49 0.00 -1.33 -0.18 0.00 0.00 178.31 177.43 1vs8 n MET 113 N -4.57 0.00 -0.63 1.51 2.81 -1.01 -3.71 117.12 111.52 1vs8 n MET 113 Ca -0.14 0.00 0.48 0.00 -1.81 0.00 0.00 57.70 56.23 1vs8 n MET 113 Cb 0.38 0.00 0.75 0.00 -0.71 0.00 0.00 33.22 33.64 1vs8 n MET 113 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1vs8 n LYS 114 N 0.00 -0.01 -0.02 0.03 3.00 -1.26 -0.67 118.16 119.23 1vs8 n LYS 114 Ca 0.00 1.07 -0.12 0.00 -0.00 0.00 0.00 58.31 59.26 1vs8 n LYS 114 Cb 0.00 -2.37 -0.10 0.00 0.00 0.00 0.00 35.03 32.56 1vs8 n LYS 114 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 1vs8 h ILE 115 N 0.00 1.31 0.00 3.15 2.10 -1.94 -3.29 117.51 118.83 1vs8 h ILE 115 Ca 0.88 -1.59 0.00 0.00 1.08 0.00 0.00 64.86 65.24 1vs8 h ILE 115 Cb 3.40 2.29 0.00 0.00 -1.09 0.00 0.00 36.82 41.42 1vs8 h ILE 115 CO -0.11 0.38 0.00 2.30 -1.08 0.00 0.00 178.15 179.64 1vs8 n ILE 116 N -4.78 0.00 -2.26 2.19 -5.35 0.15 -2.94 119.36 106.37 1vs8 n ILE 116 Ca -0.08 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.21 1vs8 n ILE 116 Cb 0.33 -0.24 0.02 0.00 -1.74 0.00 0.00 39.64 38.01 1vs8 n ILE 116 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1vs8 n SER 117 N -0.24 4.11 -3.69 7.28 3.41 -1.16 -4.94 113.62 118.39 1vs8 n SER 117 Ca 0.00 -3.36 -0.13 0.00 -0.26 0.00 0.00 58.87 55.12 1vs8 n SER 117 Cb 0.06 -0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 1vs8 n SER 117 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1vs8 s LEU 118 N -3.62 0.50 -0.96 1.04 1.43 -1.15 -4.96 118.68 110.96 1vs8 s LEU 118 Ca 0.45 0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 53.49 1vs8 s LEU 118 Cb 0.39 1.64 -0.02 0.00 0.03 0.00 0.00 46.19 48.23 1vs8 s LEU 118 CO -0.00 -0.62 0.79 0.00 0.23 0.00 0.00 176.35 176.75 1vs8 n ALA 119 N 0.66 -2.55 -0.28 4.21 0.00 -1.25 -4.47 120.51 116.85 1vs8 n ALA 119 Ca -0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.15 1vs8 n ALA 119 Cb 0.59 -3.51 -0.04 0.00 0.00 0.00 0.00 19.45 16.49 1vs8 n ALA 119 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1vs8 n PRO 120 N -3.03 0.00 -3.22 0.00 -0.02 -1.26 -4.64 135.00 122.83 1vs8 n PRO 120 Ca -0.08 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.44 1vs8 n PRO 120 Cb 0.58 -0.19 -0.03 0.00 -0.02 0.00 0.00 33.50 33.85 1vs8 n PRO 120 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1vs8 s GLU 121 N 1.31 0.18 0.00 -0.52 2.56 -1.26 -5.02 118.70 115.95 1vs8 s GLU 121 Ca 0.24 0.38 0.00 0.00 0.00 0.00 0.00 54.97 55.59 1vs8 s GLU 121 Cb -0.16 0.22 0.00 0.00 2.00 0.00 0.00 34.13 36.19 1vs8 s GLU 121 CO 0.10 -0.13 0.00 1.33 -0.56 0.00 0.00 175.26 176.00