#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1buj s VAL 2 N 0.00 0.53 -0.23 0.00 -7.23 -1.26 -5.13 120.40 107.08 1buj s VAL 2 Ca 0.00 -1.94 -0.20 0.00 -1.81 0.00 0.00 61.98 58.03 1buj s VAL 2 Cb 0.00 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 1buj s VAL 2 CO 0.00 -0.63 0.62 -0.63 -0.31 0.00 0.00 175.10 174.14 1buj s ILE 3 N -3.75 5.01 -0.32 -0.62 1.01 -1.26 -4.88 121.20 116.39 1buj s ILE 3 Ca 0.19 1.12 0.13 0.00 0.00 0.00 0.00 60.65 62.09 1buj s ILE 3 Cb 0.06 -3.92 0.39 0.00 0.01 0.00 0.00 42.46 39.00 1buj s ILE 3 CO -0.00 0.07 1.50 -0.46 0.00 0.00 0.00 174.94 176.05 1buj n ASN 4 N 5.42 -1.33 -4.45 3.58 0.23 -1.26 -4.84 115.26 112.61 1buj n ASN 4 Ca -0.01 -2.20 -0.22 0.00 -0.53 0.00 0.00 54.58 51.61 1buj n ASN 4 Cb 0.49 0.62 -0.10 0.00 -2.08 0.00 0.00 39.78 38.71 1buj n ASN 4 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1buj s THR 5 N -0.02 1.95 0.10 5.53 -4.23 -1.26 -0.93 115.64 116.78 1buj s THR 5 Ca 0.09 -2.21 -0.21 0.00 -1.18 0.00 0.00 61.69 58.18 1buj s THR 5 Cb 0.42 -2.39 -0.09 0.00 1.34 0.00 0.00 72.50 71.77 1buj s THR 5 CO -0.12 -0.35 1.70 -0.26 -0.54 0.00 0.00 174.62 175.05 1buj h PHE 6 N 2.27 0.22 -0.15 3.99 0.04 -1.98 0.09 116.94 121.41 1buj h PHE 6 Ca -0.40 -0.01 -0.19 0.00 2.80 0.00 0.00 57.97 60.18 1buj h PHE 6 Cb 1.24 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 39.32 1buj h PHE 6 CO 0.73 0.21 -0.66 -0.44 -0.60 0.00 0.00 178.31 177.55 1buj h ASP 7 N 0.16 0.69 0.11 2.17 5.19 -1.98 -2.69 116.42 120.06 1buj h ASP 7 Ca 0.06 -0.41 -0.01 0.00 -0.62 0.00 0.00 57.03 56.05 1buj h ASP 7 Cb 0.07 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.38 1buj h ASP 7 CO -0.01 1.16 -0.05 1.23 -3.12 0.00 0.00 179.24 178.45 1buj h GLY 8 N 0.98 -0.15 1.04 2.75 0.00 -1.89 -1.65 103.07 104.15 1buj h GLY 8 Ca -0.02 0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 1buj h GLY 8 CO 0.13 -0.06 0.01 -2.08 0.00 0.00 0.00 176.54 174.54 1buj h VAL 9 N -0.51 1.26 -0.74 4.60 2.07 -1.10 -1.36 116.25 120.47 1buj h VAL 9 Ca -0.02 -1.11 0.13 0.00 0.82 0.00 0.00 66.70 66.53 1buj h VAL 9 Cb 0.42 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 30.99 1buj h VAL 9 CO 0.02 0.40 0.32 0.00 0.02 0.00 0.00 177.57 178.33 1buj h ALA 10 N 0.96 1.04 -0.39 1.67 0.00 -1.39 0.02 119.26 121.17 1buj h ALA 10 Ca 0.16 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1buj h ALA 10 Cb 0.53 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1buj h ALA 10 CO 0.03 -0.17 -0.14 -0.44 0.00 0.00 0.00 179.25 178.53 1buj h ASP 11 N 0.49 0.80 0.30 0.00 5.19 -0.87 -3.19 116.42 119.12 1buj h ASP 11 Ca 0.40 -0.38 -0.08 0.00 -0.62 0.00 0.00 57.03 56.34 1buj h ASP 11 Cb 0.56 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1buj h ASP 11 CO -0.37 1.00 -0.36 0.22 -3.12 0.00 0.00 179.24 176.62 1buj h TYR 12 N 0.59 0.10 0.57 4.55 5.03 0.04 -1.51 116.97 126.34 1buj h TYR 12 Ca 0.09 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.36 1buj h TYR 12 Cb 0.68 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.92 1buj h TYR 12 CO 0.05 0.44 -0.46 -0.07 -1.32 0.00 0.00 178.16 176.80 1buj h LEU 13 N 0.08 -1.22 -1.06 2.82 3.38 -1.06 -0.82 115.31 117.43 1buj h LEU 13 Ca 0.01 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1buj h LEU 13 Cb 0.67 0.39 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1buj h LEU 13 CO 0.05 -0.65 0.07 0.40 0.09 0.00 0.00 178.44 178.40 1buj h ILE 14 N -1.00 1.22 0.27 1.22 5.03 -1.51 0.32 117.51 123.05 1buj h ILE 14 Ca -0.07 -0.84 -0.01 0.00 -0.12 0.00 0.00 64.86 63.82 1buj h ILE 14 Cb 0.85 0.77 0.00 0.00 -3.03 0.00 0.00 36.82 35.42 1buj h ILE 14 CO -0.00 0.30 -0.13 -0.09 -0.68 0.00 0.00 178.15 177.55 1buj h ARG 15 N 0.72 -0.35 -0.01 2.37 2.43 -1.15 -3.34 114.38 115.05 1buj h ARG 15 Ca 0.15 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1buj h ARG 15 Cb 0.33 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1buj h ARG 15 CO 0.01 -0.23 -0.21 0.66 -1.51 0.00 0.00 179.97 178.69 1buj n TYR 16 N -3.71 0.00 -3.14 2.20 4.01 -0.33 -4.92 117.16 111.27 1buj n TYR 16 Ca -0.04 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.51 1buj n TYR 16 Cb 0.14 -0.06 0.05 0.00 -0.31 0.00 0.00 39.34 39.15 1buj n TYR 16 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1buj n LYS 17 N -0.21 -5.23 -3.83 -0.72 5.02 0.11 -4.97 118.16 108.32 1buj n LYS 17 Ca 0.14 0.69 -0.03 0.00 -2.02 0.00 0.00 58.31 57.08 1buj n LYS 17 Cb 0.39 -5.18 0.01 0.00 -0.02 0.00 0.00 35.03 30.22 1buj n LYS 17 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1buj s ARG 18 N -5.78 1.17 0.89 1.97 1.70 -1.16 -5.04 118.95 112.71 1buj s ARG 18 Ca 0.36 -0.72 -0.11 0.00 -0.47 0.00 0.00 55.73 54.79 1buj s ARG 18 Cb -0.16 0.35 0.13 0.00 -0.57 0.00 0.00 34.95 34.69 1buj s ARG 18 CO 0.45 -0.55 1.09 -0.51 -1.08 0.00 0.00 175.30 174.71 1buj s LEU 19 N -3.27 2.29 0.79 -1.89 1.43 -1.26 -3.52 118.68 113.25 1buj s LEU 19 Ca 0.19 1.52 -0.11 0.00 -1.03 0.00 0.00 54.13 54.70 1buj s LEU 19 Cb -0.02 -3.95 0.06 0.00 0.03 0.00 0.00 46.19 42.32 1buj s LEU 19 CO 0.04 -2.64 1.09 -2.16 0.23 0.00 0.00 176.35 172.91 1buj s PRO 20 N -4.92 2.18 0.00 1.29 0.04 -1.26 -4.97 135.00 127.36 1buj s PRO 20 Ca 0.63 0.67 0.22 0.00 0.04 0.00 0.00 61.00 62.56 1buj s PRO 20 Cb -0.18 -1.93 0.77 0.00 0.04 0.00 0.00 34.50 33.20 1buj s PRO 20 CO 0.57 -1.56 1.56 -3.47 0.04 0.00 0.00 177.00 174.14 1buj n ASP 21 N -3.40 1.74 0.00 6.66 2.03 -1.26 -3.17 116.55 119.15 1buj n ASP 21 Ca 0.07 -1.70 0.14 0.00 0.52 0.00 0.00 54.79 53.82 1buj n ASP 21 Cb 0.56 -0.10 0.66 0.00 -0.72 0.00 0.00 41.12 41.53 1buj n ASP 21 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1buj n ASN 22 N 0.37 0.00 -4.46 1.67 6.94 -1.26 -4.58 115.26 113.95 1buj n ASN 22 Ca 0.17 0.23 -0.38 0.00 -0.02 0.00 0.00 54.58 54.57 1buj n ASN 22 Cb 0.35 -0.41 -0.12 0.00 -2.36 0.00 0.00 39.78 37.24 1buj n ASN 22 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1buj s TYR 23 N -2.81 3.17 0.61 -2.53 2.02 -1.19 -1.44 117.35 115.17 1buj s TYR 23 Ca 0.20 -0.47 -0.02 0.00 -0.37 0.00 0.00 57.07 56.40 1buj s TYR 23 Cb 0.19 -2.34 0.04 0.00 -0.40 0.00 0.00 41.96 39.45 1buj s TYR 23 CO 0.49 -0.41 0.86 0.96 -1.57 0.00 0.00 175.55 175.88 1buj s ILE 24 N 1.63 2.62 0.61 2.71 -4.36 -0.10 -4.66 121.20 119.65 1buj s ILE 24 Ca 0.05 -0.48 -0.07 0.00 -0.26 0.00 0.00 60.65 59.89 1buj s ILE 24 Cb -0.17 -3.04 0.01 0.00 1.25 0.00 0.00 42.46 40.52 1buj s ILE 24 CO 0.06 -0.03 0.94 0.42 0.24 0.00 0.00 174.94 176.57 1buj s THR 25 N -2.94 3.58 0.14 8.37 -4.23 -1.26 -0.72 115.64 118.58 1buj s THR 25 Ca 0.58 0.08 -0.23 0.00 -1.18 0.00 0.00 61.69 60.94 1buj s THR 25 Cb -0.10 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1buj s THR 25 CO 0.41 -0.48 1.64 0.11 -0.54 0.00 0.00 174.62 175.76 1buj h LYS 26 N -0.27 -0.24 -0.43 3.99 1.57 -1.94 -2.45 116.57 116.80 1buj h LYS 26 Ca -0.45 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.46 1buj h LYS 26 Cb 1.26 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1buj h LYS 26 CO 0.61 -0.16 0.31 0.77 -0.57 0.00 0.00 179.45 180.41 1buj h SER 27 N -0.25 0.05 0.56 0.86 0.02 -1.98 0.14 113.55 112.95 1buj h SER 27 Ca 0.11 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1buj h SER 27 Cb 0.42 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.95 1buj h SER 27 CO -0.31 0.03 -0.27 -0.61 -1.14 0.00 0.00 176.83 174.53 1buj h GLN 28 N 0.05 -0.73 -0.86 3.45 4.15 -1.84 -1.94 115.11 117.40 1buj h GLN 28 Ca 0.21 0.05 0.15 0.00 0.77 0.00 0.00 58.65 59.83 1buj h GLN 28 Cb 0.75 0.17 -0.10 0.00 0.21 0.00 0.00 27.48 28.51 1buj h GLN 28 CO -0.01 -0.48 0.44 0.00 -1.93 0.00 0.00 178.83 176.85 1buj h ALA 29 N -1.19 1.30 -0.40 3.38 0.00 -0.86 -1.73 119.26 119.76 1buj h ALA 29 Ca -0.08 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1buj h ALA 29 Cb 0.59 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1buj h ALA 29 CO 0.13 -0.10 -0.30 0.77 0.00 0.00 0.00 179.25 179.74 1buj h SER 30 N 0.62 0.92 -0.79 0.00 0.02 -0.81 -1.13 113.55 112.37 1buj h SER 30 Ca 0.47 -0.38 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1buj h SER 30 Cb 0.68 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.92 1buj h SER 30 CO -0.37 1.15 0.52 0.00 -1.14 0.00 0.00 176.83 176.99 1buj h ALA 31 N 0.90 1.55 0.00 3.77 0.00 -0.50 0.55 119.26 125.54 1buj h ALA 31 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1buj h ALA 31 Cb 0.87 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1buj h ALA 31 CO 0.08 0.36 0.00 -0.07 0.00 0.00 0.00 179.25 179.62 1buj h LEU 32 N 0.95 0.00 0.00 0.00 3.38 -0.90 -3.46 115.31 115.28 1buj h LEU 32 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1buj h LEU 32 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1buj h LEU 32 CO -0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.04 1buj n GLY 33 N 0.60 1.95 3.72 0.83 0.00 0.18 -4.99 105.19 107.48 1buj n GLY 33 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1buj n GLY 33 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1buj s TRP 34 N -2.00 3.71 -0.03 1.61 -0.00 -0.50 -4.94 118.94 116.79 1buj s TRP 34 Ca 0.00 1.63 0.16 0.00 -0.00 0.00 0.00 56.10 57.89 1buj s TRP 34 Cb 0.00 -3.00 -0.25 0.00 -0.00 0.00 0.00 33.47 30.22 1buj s TRP 34 CO 0.00 0.13 0.34 0.28 -0.00 0.00 0.00 176.95 177.70 1buj n VAL 35 N 3.32 0.06 -3.51 5.86 0.31 -1.26 -4.25 118.33 118.86 1buj n VAL 35 Ca 0.02 -0.39 -0.22 0.00 -0.01 0.00 0.00 64.34 63.74 1buj n VAL 35 Cb 0.50 0.08 0.07 0.00 -0.91 0.00 0.00 33.84 33.59 1buj n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1buj n ALA 36 N -2.10 -1.24 0.10 3.52 0.00 -1.26 -4.71 120.51 114.82 1buj n ALA 36 Ca -0.04 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1buj n ALA 36 Cb 0.46 -5.08 0.00 0.00 0.00 0.00 0.00 19.45 14.83 1buj n ALA 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1buj n SER 37 N -2.70 -1.81 -4.17 0.00 2.88 -1.26 -4.97 113.62 101.59 1buj n SER 37 Ca -0.00 0.46 -0.18 0.00 -1.33 0.00 0.00 58.87 57.82 1buj n SER 37 Cb 0.56 1.91 -0.12 0.00 -0.75 0.00 0.00 64.21 65.81 1buj n SER 37 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1buj s LYS 38 N -2.00 0.83 -0.06 -1.46 -2.85 -1.26 -4.97 119.74 107.97 1buj s LYS 38 Ca 0.00 -0.97 -0.04 0.00 -1.00 0.00 0.00 55.97 53.95 1buj s LYS 38 Cb 0.00 -0.81 0.02 0.00 -2.06 0.00 0.00 37.83 34.98 1buj s LYS 38 CO 0.00 0.18 0.08 0.41 0.10 0.00 0.00 175.35 176.12 1buj n GLY 39 N 1.21 -3.98 3.63 0.59 0.00 -1.26 -4.13 105.19 101.25 1buj n GLY 39 Ca -0.21 0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1buj n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1buj s ASN 40 N -0.27 2.43 0.02 1.61 4.22 -1.26 -4.45 114.94 117.24 1buj s ASN 40 Ca -0.10 1.51 -0.28 0.00 -2.14 0.00 0.00 52.86 51.85 1buj s ASN 40 Cb 0.01 -2.19 -0.16 0.00 1.28 0.00 0.00 41.25 40.19 1buj s ASN 40 CO 0.26 -3.30 1.21 0.25 -2.04 0.00 0.00 177.10 173.48 1buj h LEU 41 N -2.00 -0.82 -1.94 3.54 5.85 -1.71 -2.99 115.31 115.23 1buj h LEU 41 Ca -0.54 0.01 0.23 0.00 0.84 0.00 0.00 57.88 58.43 1buj h LEU 41 Cb 1.31 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.51 1buj h LEU 41 CO 0.52 -0.46 0.59 0.00 -0.34 0.00 0.00 178.44 178.76 1buj h ALA 42 N -1.14 2.70 -0.41 1.25 0.00 -1.79 0.43 119.26 120.30 1buj h ALA 42 Ca -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1buj h ALA 42 Cb 0.76 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1buj h ALA 42 CO 0.16 -0.94 0.22 1.49 0.00 0.00 0.00 179.25 180.19 1buj h GLU 43 N 0.05 0.58 0.09 0.00 4.22 -1.89 -2.19 114.58 115.44 1buj h GLU 43 Ca 0.40 -0.07 -0.23 0.00 0.08 0.00 0.00 59.36 59.54 1buj h GLU 43 Cb 1.51 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 1buj h GLU 43 CO -0.03 0.47 -1.15 0.28 -2.18 0.00 0.00 179.01 176.41 1buj h VAL 44 N 0.54 1.16 -2.83 0.32 2.07 -0.27 -3.42 116.25 113.82 1buj h VAL 44 Ca 0.15 -2.38 -0.60 0.00 0.82 0.00 0.00 66.70 64.68 1buj h VAL 44 Cb 0.06 2.78 -0.40 0.00 -1.52 0.00 0.00 31.29 32.22 1buj h VAL 44 CO -0.02 0.64 -0.77 0.00 0.02 0.00 0.00 177.57 177.43 1buj s ALA 45 N -2.42 2.10 0.18 1.67 0.00 0.13 -4.97 121.76 118.45 1buj s ALA 45 Ca -0.20 -2.67 -0.30 0.00 0.00 0.00 0.00 51.96 48.79 1buj s ALA 45 Cb 0.03 -1.84 -0.08 0.00 0.00 0.00 0.00 23.12 21.24 1buj s ALA 45 CO 0.74 -2.06 1.12 -1.25 0.00 0.00 0.00 175.76 174.31 1buj s PRO 46 N 0.11 4.58 0.00 0.00 0.04 -0.82 -3.91 135.00 134.99 1buj s PRO 46 Ca 0.22 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1buj s PRO 46 Cb -0.15 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1buj s PRO 46 CO -0.06 0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1buj n GLY 47 N 2.04 0.75 3.33 0.56 0.00 -1.26 -5.03 105.19 105.57 1buj n GLY 47 Ca 0.03 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 1buj n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1buj s LYS 48 N -0.75 0.75 0.20 1.61 0.00 -1.25 -4.98 119.74 115.32 1buj s LYS 48 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 55.97 56.02 1buj s LYS 48 Cb 0.00 0.35 0.02 0.00 0.00 0.00 0.00 37.83 38.20 1buj s LYS 48 CO 0.00 -0.21 0.19 0.43 0.00 0.00 0.00 175.35 175.77 1buj n SER 49 N 1.38 1.29 -4.84 0.03 7.64 -0.52 -4.87 113.62 113.72 1buj n SER 49 Ca -0.20 -1.62 -0.34 0.00 1.01 0.00 0.00 58.87 57.72 1buj n SER 49 Cb 0.56 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.64 1buj n SER 49 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1buj s ILE 50 N -0.70 4.76 0.00 0.44 -1.09 -1.26 -0.92 121.20 122.43 1buj s ILE 50 Ca 0.15 0.90 0.00 0.00 -2.23 0.00 0.00 60.65 59.46 1buj s ILE 50 Cb -0.01 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 1buj s ILE 50 CO 0.09 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.48 1buj n GLY 51 N 0.31 0.28 1.48 6.18 0.00 0.10 -1.67 105.19 111.87 1buj n GLY 51 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1buj n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1buj n GLY 52 N -0.01 0.69 3.95 -0.02 0.00 -0.82 -4.03 105.19 104.95 1buj n GLY 52 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1buj n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1buj s ASP 53 N -2.19 6.31 0.31 1.61 1.11 -1.21 -4.91 116.67 117.70 1buj s ASP 53 Ca 0.00 0.12 -0.26 0.00 0.18 0.00 0.00 52.55 52.59 1buj s ASP 53 Cb 0.00 -1.88 -0.10 0.00 1.07 0.00 0.00 42.92 42.02 1buj s ASP 53 CO 0.00 -0.00 0.93 -0.69 1.18 0.00 0.00 175.17 176.59 1buj s VAL 54 N -1.85 4.21 0.04 -1.27 1.01 -1.26 -0.97 120.40 120.31 1buj s VAL 54 Ca 0.34 1.83 0.09 0.00 0.00 0.00 0.00 61.98 64.24 1buj s VAL 54 Cb -0.10 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1buj s VAL 54 CO 0.29 0.19 -0.26 0.12 0.00 0.00 0.00 175.10 175.43 1buj s PHE 55 N -1.56 2.31 -0.57 5.22 2.19 -1.11 -4.77 117.98 119.69 1buj s PHE 55 Ca 0.49 -0.41 -0.28 0.00 0.33 0.00 0.00 56.93 57.05 1buj s PHE 55 Cb -0.19 -1.39 0.02 0.00 -1.31 0.00 0.00 43.02 40.15 1buj s PHE 55 CO 0.24 0.12 1.28 -1.12 1.83 0.00 0.00 175.22 177.57 1buj s SER 56 N -1.22 6.33 0.53 6.13 0.01 -1.26 -4.63 113.70 119.59 1buj s SER 56 Ca 0.12 0.19 -0.18 0.00 1.31 0.00 0.00 55.95 57.39 1buj s SER 56 Cb -0.10 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.51 1buj s SER 56 CO 0.02 -1.56 1.03 0.21 0.41 0.00 0.00 173.24 173.34 1buj s ASN 57 N 3.52 6.23 -0.06 2.44 2.47 -1.26 -5.07 114.94 123.21 1buj s ASN 57 Ca 0.47 1.78 -0.24 0.00 0.42 0.00 0.00 52.86 55.29 1buj s ASN 57 Cb -0.09 -2.54 0.05 0.00 -1.45 0.00 0.00 41.25 37.23 1buj s ASN 57 CO 0.25 -0.86 0.55 0.00 -3.72 0.00 0.00 177.10 173.32 1buj s ARG 58 N -3.76 0.88 0.12 0.43 1.70 -1.26 -5.09 118.95 111.96 1buj s ARG 58 Ca 0.63 0.19 -0.31 0.00 -0.47 0.00 0.00 55.73 55.78 1buj s ARG 58 Cb -0.14 0.41 -0.08 0.00 -0.57 0.00 0.00 34.95 34.57 1buj s ARG 58 CO 0.29 -0.25 1.40 -2.00 -1.08 0.00 0.00 175.30 173.67 1buj s GLU 59 N -1.02 4.31 0.00 3.89 -6.30 -1.26 -2.78 118.70 115.54 1buj s GLU 59 Ca -0.10 2.10 0.00 0.00 -2.50 0.00 0.00 54.97 54.47 1buj s GLU 59 Cb -0.02 -3.24 0.00 0.00 0.00 0.00 0.00 34.13 30.87 1buj s GLU 59 CO 0.07 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.31 1buj n GLY 60 N 3.52 3.10 0.00 -1.50 0.00 -1.26 -4.95 105.19 104.09 1buj n GLY 60 Ca 0.12 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1buj n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1buj n ARG 61 N 0.00 0.00 -4.20 1.61 3.00 -1.12 -5.01 116.66 110.94 1buj n ARG 61 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.85 57.58 1buj n ARG 61 Cb 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 32.46 32.17 1buj n ARG 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1buj s LEU 62 N -1.78 3.35 1.12 0.55 1.43 -1.23 -4.88 118.68 117.24 1buj s LEU 62 Ca 0.00 -0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 52.53 1buj s LEU 62 Cb 0.00 -2.00 0.27 0.00 0.03 0.00 0.00 46.19 44.49 1buj s LEU 62 CO 0.00 0.09 1.24 -2.16 0.23 0.00 0.00 176.35 175.74 1buj s PRO 63 N -2.96 -0.65 0.08 1.29 0.04 -1.26 -4.45 135.00 127.09 1buj s PRO 63 Ca 0.28 -0.38 -0.10 0.00 0.04 0.00 0.00 61.00 60.84 1buj s PRO 63 Cb -0.09 -1.69 0.01 0.00 0.04 0.00 0.00 34.50 32.76 1buj s PRO 63 CO 0.19 -3.28 0.23 -1.12 0.04 0.00 0.00 177.00 173.06 1buj s SER 64 N -4.50 0.04 0.17 6.66 0.01 -1.26 -4.90 113.70 109.92 1buj s SER 64 Ca 0.75 -0.51 -0.16 0.00 1.31 0.00 0.00 55.95 57.34 1buj s SER 64 Cb -0.05 0.35 0.03 0.00 0.21 0.00 0.00 66.02 66.55 1buj s SER 64 CO 0.55 -0.70 0.45 0.00 0.41 0.00 0.00 173.24 173.96 1buj s ALA 65 N -3.46 -0.81 -0.28 1.44 0.00 -1.26 -5.07 121.76 112.33 1buj s ALA 65 Ca 0.02 -0.26 -0.28 0.00 0.00 0.00 0.00 51.96 51.43 1buj s ALA 65 Cb 0.03 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 1buj s ALA 65 CO -0.09 -0.74 2.02 0.45 0.00 0.00 0.00 175.76 177.41 1buj s SER 66 N -2.87 5.64 0.00 0.00 0.15 -1.26 -1.41 113.70 113.96 1buj s SER 66 Ca 0.08 1.59 0.00 0.00 0.70 0.00 0.00 55.95 58.32 1buj s SER 66 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1buj s SER 66 CO -0.05 -1.86 0.00 0.61 1.20 0.00 0.00 173.24 173.14 1buj n GLY 67 N 5.61 0.75 3.71 9.45 0.00 -1.26 -5.03 105.19 118.41 1buj n GLY 67 Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 1buj n GLY 67 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1buj s ARG 68 N -0.51 4.30 0.29 1.61 3.52 -0.50 -5.03 118.95 122.64 1buj s ARG 68 Ca 0.00 0.41 0.08 0.00 -0.13 0.00 0.00 55.73 56.09 1buj s ARG 68 Cb 0.00 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 1buj s ARG 68 CO 0.00 0.09 0.14 0.99 -0.81 0.00 0.00 175.30 175.71 1buj s THR 69 N 0.86 3.61 -0.01 4.11 2.01 -1.26 -4.60 115.64 120.36 1buj s THR 69 Ca 0.25 -1.62 0.07 0.00 0.31 0.00 0.00 61.69 60.69 1buj s THR 69 Cb -0.15 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 1buj s THR 69 CO 0.10 -0.28 -0.23 0.26 -0.69 0.00 0.00 174.62 173.78 1buj s TRP 70 N -2.30 2.02 0.06 4.92 0.52 -1.26 -1.29 118.94 121.61 1buj s TRP 70 Ca 0.35 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 56.13 1buj s TRP 70 Cb -0.06 -1.29 -0.03 0.00 -1.15 0.00 0.00 33.47 30.95 1buj s TRP 70 CO 0.23 -0.02 -0.11 1.03 0.02 0.00 0.00 176.95 178.10 1buj s ARG 71 N -0.61 0.70 0.30 4.98 0.52 -0.58 -2.74 118.95 121.51 1buj s ARG 71 Ca 0.09 -0.85 0.10 0.00 -0.52 0.00 0.00 55.73 54.55 1buj s ARG 71 Cb -0.09 -0.60 -0.05 0.00 0.52 0.00 0.00 34.95 34.73 1buj s ARG 71 CO -0.01 0.13 -0.08 -1.83 0.02 0.00 0.00 175.30 173.53 1buj s GLU 72 N -1.62 1.96 -0.02 3.54 -1.05 -0.14 -1.08 118.70 120.29 1buj s GLU 72 Ca -0.05 -1.68 -0.27 0.00 -0.15 0.00 0.00 54.97 52.82 1buj s GLU 72 Cb -0.10 -1.91 0.06 0.00 -0.44 0.00 0.00 34.13 31.74 1buj s GLU 72 CO 0.01 0.28 0.60 0.00 0.95 0.00 0.00 175.26 177.10 1buj s ALA 73 N -2.47 -1.56 0.51 -0.84 0.00 -0.31 -1.95 121.76 115.14 1buj s ALA 73 Ca 0.32 1.04 -0.20 0.00 0.00 0.00 0.00 51.96 53.12 1buj s ALA 73 Cb -0.04 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.12 1buj s ALA 73 CO 0.18 -0.39 1.07 -0.51 0.00 0.00 0.00 175.76 176.10 1buj s ASP 74 N -1.39 6.11 0.21 0.00 1.11 -0.67 -1.37 116.67 120.67 1buj s ASP 74 Ca -0.10 2.00 0.12 0.00 0.18 0.00 0.00 52.55 54.75 1buj s ASP 74 Cb -0.01 -2.57 -0.05 0.00 1.07 0.00 0.00 42.92 41.37 1buj s ASP 74 CO 0.06 -0.95 -0.23 -0.63 1.18 0.00 0.00 175.17 174.61 1buj s ILE 75 N -1.94 2.38 0.00 0.77 -1.09 -1.05 -4.75 121.20 115.51 1buj s ILE 75 Ca 0.69 -2.11 0.00 0.00 -2.23 0.00 0.00 60.65 56.99 1buj s ILE 75 Cb -0.19 -2.16 0.00 0.00 -1.58 0.00 0.00 42.46 38.53 1buj s ILE 75 CO 0.23 -0.18 0.00 0.59 -1.23 0.00 0.00 174.94 174.35 1buj n ASN 76 N 0.08 0.00 -2.95 3.58 3.02 -0.11 -4.79 115.26 114.09 1buj n ASN 76 Ca -0.11 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.43 1buj n ASN 76 Cb 0.57 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.73 1buj n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1buj n TYR 77 N 0.00 -1.47 -0.05 3.10 9.36 -1.26 -4.95 117.16 121.89 1buj n TYR 77 Ca 0.00 0.81 -0.09 0.00 3.32 0.00 0.00 57.90 61.94 1buj n TYR 77 Cb 0.00 -1.99 -0.03 0.00 -0.63 0.00 0.00 39.34 36.69 1buj n TYR 77 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1buj n VAL 78 N 1.98 1.31 -3.48 2.97 0.31 -1.26 -5.04 118.33 115.11 1buj n VAL 78 Ca -0.11 0.13 -0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1buj n VAL 78 Cb 0.25 -2.00 0.01 0.00 -0.91 0.00 0.00 33.84 31.19 1buj n VAL 78 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1buj n SER 79 N -4.03 -0.47 0.00 4.52 2.88 -1.26 -4.90 113.62 110.36 1buj n SER 79 Ca -0.15 -1.26 0.00 0.00 -1.33 0.00 0.00 58.87 56.13 1buj n SER 79 Cb 0.42 0.76 0.00 0.00 -0.75 0.00 0.00 64.21 64.64 1buj n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1buj n GLY 80 N -0.17 -1.82 0.00 0.46 0.00 -1.26 -4.93 105.19 97.46 1buj n GLY 80 Ca -0.01 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1buj n GLY 80 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1buj n PHE 81 N 0.00 -2.46 -1.60 1.61 3.72 -1.26 -1.82 117.46 115.65 1buj n PHE 81 Ca 0.00 0.00 -0.55 0.00 -0.05 0.00 0.00 57.45 56.85 1buj n PHE 81 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 1buj n PHE 81 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1buj n ARG 82 N -0.67 0.81 -3.88 -1.08 5.12 -1.26 -4.91 116.66 110.79 1buj n ARG 82 Ca 0.00 0.29 -0.27 0.00 -1.93 0.00 0.00 57.85 55.95 1buj n ARG 82 Cb 0.00 -1.90 -0.03 0.00 -1.16 0.00 0.00 32.46 29.37 1buj n ARG 82 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1buj s ASN 83 N 0.95 6.35 0.31 0.55 4.22 -1.26 -5.00 114.94 121.07 1buj s ASN 83 Ca 0.89 0.24 0.22 0.00 -2.14 0.00 0.00 52.86 52.07 1buj s ASN 83 Cb -1.08 -1.94 0.15 0.00 1.28 0.00 0.00 41.25 39.66 1buj s ASN 83 CO 0.54 0.03 1.30 0.00 -2.04 0.00 0.00 177.10 176.93 1buj h ALA 84 N 2.15 0.73 -1.70 3.54 0.00 -1.91 -3.43 119.26 118.64 1buj h ALA 84 Ca -0.48 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 53.82 1buj h ALA 84 Cb 1.19 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 1buj h ALA 84 CO 0.69 0.04 0.80 -0.51 0.00 0.00 0.00 179.25 180.27 1buj s ASP 85 N -5.78 6.43 0.10 0.00 1.11 -1.26 -3.22 116.67 114.05 1buj s ASP 85 Ca 0.03 -0.01 -0.00 0.00 0.18 0.00 0.00 52.55 52.74 1buj s ASP 85 Cb 0.07 -2.50 -0.04 0.00 1.07 0.00 0.00 42.92 41.52 1buj s ASP 85 CO 0.74 -1.34 -0.01 -0.13 1.18 0.00 0.00 175.17 175.61 1buj s ARG 86 N 4.47 0.80 -0.04 8.23 0.52 -0.09 -2.53 118.95 130.31 1buj s ARG 86 Ca 0.39 -1.34 0.04 0.00 -0.52 0.00 0.00 55.73 54.30 1buj s ARG 86 Cb -0.09 0.07 -0.00 0.00 0.52 0.00 0.00 34.95 35.45 1buj s ARG 86 CO 0.24 -0.13 -0.16 -1.17 0.02 0.00 0.00 175.30 174.10 1buj s LEU 87 N -3.01 1.88 -0.09 2.53 0.20 -0.47 -1.73 118.68 117.99 1buj s LEU 87 Ca 0.15 -0.34 0.02 0.00 0.69 0.00 0.00 54.13 54.65 1buj s LEU 87 Cb 0.07 -0.93 0.01 0.00 -0.43 0.00 0.00 46.19 44.92 1buj s LEU 87 CO -0.04 0.13 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.33 1buj s VAL 88 N 0.11 1.31 0.03 1.68 1.01 -0.24 -1.16 120.40 123.15 1buj s VAL 88 Ca -0.05 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1buj s VAL 88 Cb -0.12 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1buj s VAL 88 CO 0.02 0.40 -0.14 -0.72 0.00 0.00 0.00 175.10 174.67 1buj s TYR 89 N 0.94 1.20 0.60 5.22 1.13 -0.24 -1.63 117.35 124.56 1buj s TYR 89 Ca -0.09 -0.33 -0.00 0.00 -1.41 0.00 0.00 57.07 55.24 1buj s TYR 89 Cb -0.15 -0.72 0.05 0.00 -1.10 0.00 0.00 41.96 40.05 1buj s TYR 89 CO -0.00 0.02 0.85 -1.54 -2.51 0.00 0.00 175.55 172.37 1buj s SER 90 N -1.01 5.04 0.15 -0.18 1.04 -0.63 -1.53 113.70 116.58 1buj s SER 90 Ca 0.02 -0.02 -0.16 0.00 0.48 0.00 0.00 55.95 56.26 1buj s SER 90 Cb -0.07 -0.74 0.04 0.00 0.10 0.00 0.00 66.02 65.35 1buj s SER 90 CO 0.01 -1.34 1.77 0.28 0.98 0.00 0.00 173.24 174.94 1buj h SER 91 N -0.13 0.25 -0.44 7.02 0.02 -1.54 -1.93 113.55 116.79 1buj h SER 91 Ca -0.41 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1buj h SER 91 Cb 1.29 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 1buj h SER 91 CO 0.51 0.18 0.03 -0.90 -1.14 0.00 0.00 176.83 175.51 1buj n ASP 92 N -4.95 4.43 -2.09 3.07 5.68 -1.26 -4.89 116.55 116.54 1buj n ASP 92 Ca 0.01 -2.71 -0.06 0.00 -0.50 0.00 0.00 54.79 51.52 1buj n ASP 92 Cb 0.09 -0.64 0.03 0.00 -1.14 0.00 0.00 41.12 39.46 1buj n ASP 92 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1buj n TRP 93 N 0.39 -0.92 -3.98 2.11 7.02 -0.73 -5.03 117.44 116.31 1buj n TRP 93 Ca 0.22 0.35 -0.35 0.00 -1.02 0.00 0.00 57.50 56.69 1buj n TRP 93 Cb 0.97 -3.16 -0.11 0.00 -2.42 0.00 0.00 31.31 26.59 1buj n TRP 93 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1buj s LEU 94 N -3.84 3.65 -0.10 -0.99 1.02 -1.26 -4.91 118.68 112.25 1buj s LEU 94 Ca 0.11 -0.03 -0.00 0.00 0.02 0.00 0.00 54.13 54.23 1buj s LEU 94 Cb -0.01 -1.93 -0.03 0.00 0.02 0.00 0.00 46.19 44.23 1buj s LEU 94 CO 0.29 0.11 -0.07 -0.63 0.02 0.00 0.00 176.35 176.06 1buj s ILE 95 N 0.75 3.63 0.01 -0.59 1.01 -1.26 -1.60 121.20 123.15 1buj s ILE 95 Ca 0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 1buj s ILE 95 Cb -0.14 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 1buj s ILE 95 CO 0.02 0.56 0.05 -0.31 0.00 0.00 0.00 174.94 175.26 1buj s TYR 96 N -0.29 0.15 0.31 3.97 1.51 -0.65 -2.97 117.35 119.37 1buj s TYR 96 Ca 0.04 -0.33 0.11 0.00 -1.01 0.00 0.00 57.07 55.88 1buj s TYR 96 Cb -0.13 -0.12 -0.06 0.00 -0.11 0.00 0.00 41.96 41.55 1buj s TYR 96 CO 0.02 -0.24 -0.14 -1.59 -1.11 0.00 0.00 175.55 172.49 1buj s LYS 97 N -1.42 1.77 -0.14 -0.62 0.00 -0.22 -1.08 119.74 118.03 1buj s LYS 97 Ca -0.15 -1.82 -0.20 0.00 0.00 0.00 0.00 55.97 53.79 1buj s LYS 97 Cb -0.09 -1.76 0.05 0.00 0.00 0.00 0.00 37.83 36.03 1buj s LYS 97 CO 0.00 0.25 0.52 -0.08 0.00 0.00 0.00 175.35 176.04 1buj s THR 98 N -2.54 0.01 -0.98 3.79 -1.32 -0.71 -1.64 115.64 112.25 1buj s THR 98 Ca 0.31 -0.08 0.08 0.00 -1.21 0.00 0.00 61.69 60.79 1buj s THR 98 Cb -0.02 -0.76 0.06 0.00 -1.51 0.00 0.00 72.50 70.27 1buj s THR 98 CO 0.16 -0.04 0.75 0.35 -2.21 0.00 0.00 174.62 173.63 1buj n THR 99 N 2.22 0.01 -1.52 5.08 -2.24 -1.25 -0.91 114.28 115.67 1buj n THR 99 Ca -0.16 -0.51 -0.01 0.00 -2.27 0.00 0.00 64.05 61.10 1buj n THR 99 Cb 0.56 1.15 0.20 0.00 -2.10 0.00 0.00 70.33 70.15 1buj n THR 99 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1buj n ASP 100 N 0.44 2.21 -2.43 3.42 5.68 -1.24 -4.35 116.55 120.27 1buj n ASP 100 Ca 0.05 -3.84 -0.10 0.00 -0.50 0.00 0.00 54.79 50.40 1buj n ASP 100 Cb 0.20 -0.60 0.05 0.00 -1.14 0.00 0.00 41.12 39.63 1buj n ASP 100 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1buj n HIS 101 N -1.12 -1.30 -3.84 2.11 -0.00 -1.20 -2.62 115.22 107.25 1buj n HIS 101 Ca 0.29 0.53 -0.21 0.00 -0.00 0.00 0.00 57.72 58.33 1buj n HIS 101 Cb 0.92 -3.72 0.00 0.00 -0.00 0.00 0.00 29.99 27.19 1buj n HIS 101 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.34 178.82 1buj n TYR 102 N -2.75 -0.62 -0.14 1.57 4.11 -1.26 -4.82 117.16 113.25 1buj n TYR 102 Ca -0.14 0.05 -0.30 0.00 -0.00 0.00 0.00 57.90 57.51 1buj n TYR 102 Cb 0.59 -1.26 -0.10 0.00 -0.00 0.00 0.00 39.34 38.58 1buj n TYR 102 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1buj n ALA 103 N -2.82 1.20 -2.50 -3.48 0.00 -1.08 -5.03 120.51 106.81 1buj n ALA 103 Ca -0.06 -1.11 -0.23 0.00 0.00 0.00 0.00 53.44 52.04 1buj n ALA 103 Cb 0.26 0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 1buj n ALA 103 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1buj s THR 104 N -2.51 1.30 0.07 0.00 -4.23 -1.26 -4.90 115.64 104.11 1buj s THR 104 Ca -0.39 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.11 1buj s THR 104 Cb 0.15 -2.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 1buj s THR 104 CO 0.49 0.00 -0.01 -0.36 -0.54 0.00 0.00 174.62 174.21 1buj s PHE 105 N -3.17 0.58 -0.01 3.99 0.08 -1.26 -4.69 117.98 113.51 1buj s PHE 105 Ca 0.34 -1.09 0.00 0.00 0.12 0.00 0.00 56.93 56.30 1buj s PHE 105 Cb 0.08 -0.40 0.02 0.00 -0.57 0.00 0.00 43.02 42.15 1buj s PHE 105 CO 0.15 -0.41 0.01 0.99 -0.10 0.00 0.00 175.22 175.86 1buj s THR 106 N -3.94 -0.01 0.14 0.64 2.01 -0.65 -4.96 115.64 108.85 1buj s THR 106 Ca 0.10 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 1buj s THR 106 Cb 0.08 -0.06 -0.07 0.00 0.01 0.00 0.00 72.50 72.46 1buj s THR 106 CO -0.08 0.05 1.02 -0.60 -0.69 0.00 0.00 174.62 174.32 1buj s ARG 107 N 0.55 4.66 -0.19 4.92 3.52 -1.26 -1.06 118.95 130.10 1buj s ARG 107 Ca -0.05 1.56 0.02 0.00 -0.13 0.00 0.00 55.73 57.13 1buj s ARG 107 Cb -0.07 -3.34 -0.13 0.00 -1.56 0.00 0.00 34.95 29.86 1buj s ARG 107 CO -0.01 0.17 -0.16 0.44 -0.81 0.00 0.00 175.30 174.93 1buj n ILE 108 N 2.61 1.07 0.00 4.11 -6.64 -1.16 -4.94 119.36 114.40 1buj n ILE 108 Ca 0.02 -0.42 0.00 0.00 -1.77 0.00 0.00 62.75 60.58 1buj n ILE 108 Cb 0.48 -1.14 0.00 0.00 -1.44 0.00 0.00 39.64 37.54 1buj n ILE 108 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64