#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 0.54 -0.15 0.00 -7.23 -1.26 -5.13 120.40 107.17 1buj s VAL 2 Ca 0.00 -1.93 -0.20 0.00 -1.81 0.00 0.00 61.98 58.04 1buj s VAL 2 Cb 0.00 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 1buj s VAL 2 CO 0.00 -0.72 0.58 -0.63 -0.31 0.00 0.00 175.10 174.03 1buj s ILE 3 N -3.74 5.09 -0.32 -0.62 1.01 -1.26 -4.91 121.20 116.45 1buj s ILE 3 Ca 0.16 1.14 0.13 0.00 0.00 0.00 0.00 60.65 62.08 1buj s ILE 3 Cb 0.06 -3.91 0.40 0.00 0.01 0.00 0.00 42.46 39.02 1buj s ILE 3 CO -0.02 0.21 1.51 -0.46 0.00 0.00 0.00 174.94 176.19 1buj n ASN 4 N 4.34 -1.34 -4.64 3.58 0.23 -1.26 -4.79 115.26 111.38 1buj n ASN 4 Ca -0.03 -2.20 -0.26 0.00 -0.53 0.00 0.00 54.58 51.55 1buj n ASN 4 Cb 0.51 0.63 -0.09 0.00 -2.08 0.00 0.00 39.78 38.74 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 2.26 0.07 5.53 -4.23 -1.26 -0.82 115.64 117.17 1buj s THR 5 Ca 0.09 -1.95 -0.22 0.00 -1.18 0.00 0.00 61.69 58.44 1buj s THR 5 Cb 0.43 -2.90 -0.13 0.00 1.34 0.00 0.00 72.50 71.24 1buj s THR 5 CO -0.12 -0.08 1.58 -0.26 -0.54 0.00 0.00 174.62 175.20 1buj h PHE 6 N 1.73 0.17 -0.06 3.99 0.04 -1.99 -0.51 116.94 120.31 1buj h PHE 6 Ca -0.43 -0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.13 1buj h PHE 6 Cb 1.25 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 39.35 1buj h PHE 6 CO 0.70 0.30 -0.79 -0.44 -0.60 0.00 0.00 178.31 177.48 1buj h ASP 7 N -0.00 0.52 0.17 2.17 5.19 -1.98 -2.75 116.42 119.73 1buj h ASP 7 Ca 0.03 -0.36 -0.01 0.00 -0.62 0.00 0.00 57.03 56.08 1buj h ASP 7 Cb 0.20 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1buj h ASP 7 CO -0.00 1.12 -0.08 1.23 -3.12 0.00 0.00 179.24 178.39 1buj h GLY 8 N 1.24 -0.24 1.27 2.75 0.00 -1.93 -1.96 103.07 104.20 1buj h GLY 8 Ca -0.04 0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 1buj h GLY 8 CO 0.14 -0.09 -0.12 -2.08 0.00 0.00 0.00 176.54 174.39 1buj h VAL 9 N -0.61 1.26 -0.78 4.60 2.07 -1.21 -1.02 116.25 120.57 1buj h VAL 9 Ca -0.02 -1.22 0.11 0.00 0.82 0.00 0.00 66.70 66.38 1buj h VAL 9 Cb 0.46 1.03 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 1buj h VAL 9 CO 0.04 0.42 0.40 0.00 0.02 0.00 0.00 177.57 178.45 1buj h ALA 10 N 1.09 1.10 -0.08 1.67 0.00 -1.44 0.45 119.26 122.06 1buj h ALA 10 Ca 0.12 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1buj h ALA 10 Cb 0.63 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1buj h ALA 10 CO 0.04 -0.02 -0.76 -0.44 0.00 0.00 0.00 179.25 178.08 1buj h ASP 11 N 0.66 0.54 -0.30 0.00 5.19 -0.71 -2.66 116.42 119.14 1buj h ASP 11 Ca 0.39 -0.36 -0.09 0.00 -0.62 0.00 0.00 57.03 56.34 1buj h ASP 11 Cb 0.44 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 1buj h ASP 11 CO -0.29 1.12 -0.12 0.22 -3.12 0.00 0.00 179.24 177.05 1buj h TYR 12 N 0.30 0.81 0.41 4.55 5.03 -0.26 -0.29 116.97 127.51 1buj h TYR 12 Ca -0.04 -0.15 -0.01 0.00 2.58 0.00 0.00 58.73 61.12 1buj h TYR 12 Cb 1.34 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 39.40 1buj h TYR 12 CO 0.05 0.82 -0.36 -0.07 -1.32 0.00 0.00 178.16 177.28 1buj h LEU 13 N 0.66 -0.96 -1.14 2.82 3.38 -0.86 -0.57 115.31 118.65 1buj h LEU 13 Ca 0.11 0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.30 1buj h LEU 13 Cb 0.59 0.31 -0.08 0.00 0.09 0.00 0.00 40.66 41.57 1buj h LEU 13 CO 0.04 -0.51 0.60 0.40 0.09 0.00 0.00 178.44 179.06 1buj h ILE 14 N -0.77 0.85 0.13 1.22 1.08 -1.08 0.51 117.51 119.45 1buj h ILE 14 Ca -0.03 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.15 1buj h ILE 14 Cb 0.68 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 1buj h ILE 14 CO -0.04 0.15 -0.06 -0.09 -0.69 0.00 0.00 178.15 177.42 1buj h ARG 15 N 0.82 -0.17 -0.01 2.37 2.43 -0.77 -3.38 114.38 115.68 1buj h ARG 15 Ca 0.49 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 1buj h ARG 15 Cb 0.66 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1buj h ARG 15 CO -0.25 -0.11 -0.53 0.66 -1.51 0.00 0.00 179.97 178.22 1buj n TYR 16 N -2.94 0.00 -3.55 2.20 4.01 -0.25 -4.94 117.16 111.69 1buj n TYR 16 Ca -0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.52 1buj n TYR 16 Cb 0.07 -0.07 0.07 0.00 -0.31 0.00 0.00 39.34 39.09 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 -0.76 -6.25 -3.79 -0.72 4.01 0.18 -5.00 118.16 105.83 1buj n LYS 17 Ca 0.08 0.77 -0.04 0.00 -0.51 0.00 0.00 58.31 58.61 1buj n LYS 17 Cb 0.38 -5.66 -0.01 0.00 -0.51 0.00 0.00 35.03 29.24 1buj n LYS 17 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1buj s ARG 18 N -5.70 1.34 0.82 1.97 1.70 -1.25 -5.06 118.95 112.78 1buj s ARG 18 Ca 0.10 -0.78 -0.12 0.00 -0.47 0.00 0.00 55.73 54.46 1buj s ARG 18 Cb -0.04 0.43 0.08 0.00 -0.57 0.00 0.00 34.95 34.85 1buj s ARG 18 CO 0.76 -0.62 1.10 -0.51 -1.08 0.00 0.00 175.30 174.95 1buj s LEU 19 N -3.03 2.50 0.81 -1.89 1.43 -1.26 -3.64 118.68 113.60 1buj s LEU 19 Ca 0.14 1.30 -0.12 0.00 -1.03 0.00 0.00 54.13 54.42 1buj s LEU 19 Cb -0.02 -3.86 0.08 0.00 0.03 0.00 0.00 46.19 42.41 1buj s LEU 19 CO 0.04 -2.11 1.10 -2.16 0.23 0.00 0.00 176.35 173.45 1buj s PRO 20 N -5.14 1.96 0.00 1.29 0.04 -1.26 -4.97 135.00 126.93 1buj s PRO 20 Ca 0.61 0.59 0.20 0.00 0.04 0.00 0.00 61.00 62.44 1buj s PRO 20 Cb -0.15 -1.91 0.70 0.00 0.04 0.00 0.00 34.50 33.18 1buj s PRO 20 CO 0.54 -1.69 1.51 -3.47 0.04 0.00 0.00 177.00 173.94 1buj n ASP 21 N -3.47 1.75 0.07 6.66 2.03 -1.26 -3.00 116.55 119.33 1buj n ASP 21 Ca 0.07 -1.75 0.13 0.00 0.52 0.00 0.00 54.79 53.76 1buj n ASP 21 Cb 0.57 -0.12 0.47 0.00 -0.72 0.00 0.00 41.12 41.32 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 0.39 0.51 -4.38 1.67 6.94 -1.26 -4.60 115.26 114.53 1buj n ASN 22 Ca 0.16 0.56 -0.36 0.00 -0.02 0.00 0.00 54.58 54.92 1buj n ASN 22 Cb 0.34 -0.69 -0.13 0.00 -2.36 0.00 0.00 39.78 36.93 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 -3.09 3.05 0.33 -2.53 2.02 -1.16 -1.18 117.35 114.79 1buj s TYR 23 Ca 0.11 -0.71 0.07 0.00 -0.37 0.00 0.00 57.07 56.17 1buj s TYR 23 Cb 0.14 -2.19 -0.03 0.00 -0.40 0.00 0.00 41.96 39.48 1buj s TYR 23 CO 0.54 -0.47 0.31 0.96 -1.57 0.00 0.00 175.55 175.32 1buj s ILE 24 N 1.55 3.65 0.67 2.71 -4.36 -0.37 -4.66 121.20 120.39 1buj s ILE 24 Ca 0.05 -1.33 -0.11 0.00 -0.26 0.00 0.00 60.65 59.01 1buj s ILE 24 Cb -0.15 -3.22 -0.01 0.00 1.25 0.00 0.00 42.46 40.33 1buj s ILE 24 CO 0.01 -0.18 1.06 0.42 0.24 0.00 0.00 174.94 176.49 1buj s THR 25 N -2.28 4.11 0.19 8.37 -4.23 -1.22 -1.02 115.64 119.56 1buj s THR 25 Ca 0.41 0.69 -0.12 0.00 -1.18 0.00 0.00 61.69 61.48 1buj s THR 25 Cb -0.06 -3.60 0.12 0.00 1.34 0.00 0.00 72.50 70.31 1buj s THR 25 CO 0.27 -0.90 1.71 0.11 -0.54 0.00 0.00 174.62 175.27 1buj h LYS 26 N -0.56 0.23 -0.40 3.99 1.57 -1.94 -1.45 116.57 118.00 1buj h LYS 26 Ca -0.44 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.37 1buj h LYS 26 Cb 1.22 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1buj h LYS 26 CO 0.61 0.15 0.27 0.77 -0.57 0.00 0.00 179.45 180.68 1buj h SER 27 N 0.23 0.27 0.45 0.86 0.02 -1.98 0.12 113.55 113.53 1buj h SER 27 Ca 0.27 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1buj h SER 27 Cb 0.37 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1buj h SER 27 CO -0.35 0.18 -0.22 -0.61 -1.14 0.00 0.00 176.83 174.69 1buj h GLN 28 N 0.31 -0.59 -0.88 3.45 4.15 -1.65 -1.74 115.11 118.16 1buj h GLN 28 Ca 0.17 0.04 0.19 0.00 0.77 0.00 0.00 58.65 59.82 1buj h GLN 28 Cb 0.29 0.13 -0.11 0.00 0.21 0.00 0.00 27.48 28.00 1buj h GLN 28 CO -0.04 -0.33 0.41 0.00 -1.93 0.00 0.00 178.83 176.94 1buj h ALA 29 N -0.98 1.37 -0.55 3.38 0.00 -0.86 -0.78 119.26 120.84 1buj h ALA 29 Ca -0.06 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1buj h ALA 29 Cb 0.53 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1buj h ALA 29 CO 0.10 -0.25 -0.08 0.77 0.00 0.00 0.00 179.25 179.79 1buj h SER 30 N 0.48 1.02 -0.66 0.00 0.02 -0.76 -0.83 113.55 112.82 1buj h SER 30 Ca 0.52 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1buj h SER 30 Cb 0.91 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 1buj h SER 30 CO -0.47 1.11 0.43 0.00 -1.14 0.00 0.00 176.83 176.76 1buj h ALA 31 N 0.98 1.52 0.00 3.77 0.00 -0.22 0.51 119.26 125.82 1buj h ALA 31 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1buj h ALA 31 Cb 0.64 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1buj h ALA 31 CO 0.04 0.44 0.00 -0.07 0.00 0.00 0.00 179.25 179.67 1buj h LEU 32 N 0.90 0.00 0.00 0.00 3.38 -0.51 -3.46 115.31 115.62 1buj h LEU 32 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1buj h LEU 32 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1buj h LEU 32 CO -0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.09 1buj n GLY 33 N 0.55 1.43 3.74 0.83 0.00 0.17 -4.95 105.19 106.96 1buj n GLY 33 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 2.86 -0.10 1.61 -0.00 -0.42 -4.90 118.94 116.00 1buj s TRP 34 Ca 0.00 0.69 0.15 0.00 -0.00 0.00 0.00 56.10 56.94 1buj s TRP 34 Cb 0.00 -4.03 -0.22 0.00 -0.00 0.00 0.00 33.47 29.22 1buj s TRP 34 CO 0.00 -3.62 0.18 0.28 -0.00 0.00 0.00 176.95 173.79 1buj n VAL 35 N 2.85 0.65 -2.34 5.86 0.31 -1.26 -4.30 118.33 120.10 1buj n VAL 35 Ca 0.11 -0.55 -0.14 0.00 -0.01 0.00 0.00 64.34 63.74 1buj n VAL 35 Cb 0.37 -0.31 -0.00 0.00 -0.91 0.00 0.00 33.84 32.99 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 -2.38 -0.44 0.12 3.52 0.00 -1.26 -4.67 120.51 115.39 1buj n ALA 36 Ca -0.17 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1buj n ALA 36 Cb 0.78 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.72 -2.18 -4.30 0.00 2.88 -1.26 -5.06 113.62 102.98 1buj n SER 37 Ca -0.15 0.57 -0.43 0.00 -1.33 0.00 0.00 58.87 57.53 1buj n SER 37 Cb 0.62 2.22 -0.07 0.00 -0.75 0.00 0.00 64.21 66.23 1buj n SER 37 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1buj s LYS 38 N -1.70 2.80 0.00 -1.46 2.20 -1.26 -4.83 119.74 115.49 1buj s LYS 38 Ca 0.00 -1.58 0.00 0.00 -0.36 0.00 0.00 55.97 54.03 1buj s LYS 38 Cb 0.00 -4.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 1buj s LYS 38 CO 0.00 -1.15 0.00 0.41 -0.36 0.00 0.00 175.35 174.25 1buj n GLY 39 N 5.10 1.65 3.84 5.54 0.00 -1.26 -4.47 105.19 115.58 1buj n GLY 39 Ca -0.11 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 4.18 0.02 1.61 4.22 -1.26 -4.34 114.94 119.37 1buj s ASN 40 Ca 0.00 0.97 -0.25 0.00 -2.14 0.00 0.00 52.86 51.43 1buj s ASN 40 Cb 0.00 -1.56 -0.14 0.00 1.28 0.00 0.00 41.25 40.83 1buj s ASN 40 CO 0.00 -2.13 1.13 0.25 -2.04 0.00 0.00 177.10 174.31 1buj h LEU 41 N -1.20 -0.77 -1.98 3.54 5.85 -1.78 -3.03 115.31 115.93 1buj h LEU 41 Ca -0.48 0.03 0.23 0.00 0.84 0.00 0.00 57.88 58.50 1buj h LEU 41 Cb 1.31 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.51 1buj h LEU 41 CO 0.63 -0.44 0.57 0.00 -0.34 0.00 0.00 178.44 178.86 1buj h ALA 42 N -1.36 2.73 -0.28 1.25 0.00 -1.73 0.21 119.26 120.07 1buj h ALA 42 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1buj h ALA 42 Cb 0.70 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1buj h ALA 42 CO 0.15 -0.95 0.18 1.49 0.00 0.00 0.00 179.25 180.11 1buj h GLU 43 N 0.02 0.37 0.09 0.00 4.22 -1.88 -2.06 114.58 115.34 1buj h GLU 43 Ca 0.38 -0.03 -0.35 0.00 0.08 0.00 0.00 59.36 59.44 1buj h GLU 43 Cb 1.49 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.64 1buj h GLU 43 CO -0.01 0.27 -1.95 0.28 -2.18 0.00 0.00 179.01 175.42 1buj n VAL 44 N -4.87 1.72 -3.62 0.32 0.31 0.50 -4.61 118.33 108.07 1buj n VAL 44 Ca -0.02 -0.69 -0.29 0.00 -0.01 0.00 0.00 64.34 63.33 1buj n VAL 44 Cb 0.04 -1.52 -0.12 0.00 -0.91 0.00 0.00 33.84 31.33 1buj n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1buj s ALA 45 N -2.57 1.99 0.46 3.52 0.00 0.10 -4.93 121.76 120.34 1buj s ALA 45 Ca -0.18 -2.60 -0.21 0.00 0.00 0.00 0.00 51.96 48.97 1buj s ALA 45 Cb 0.07 -1.81 -0.09 0.00 0.00 0.00 0.00 23.12 21.29 1buj s ALA 45 CO 0.78 -2.06 1.04 -1.25 0.00 0.00 0.00 175.76 174.27 1buj s PRO 46 N 0.18 3.90 0.00 0.00 0.04 -0.78 -3.63 135.00 134.72 1buj s PRO 46 Ca 0.22 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1buj s PRO 46 Cb -0.15 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1buj s PRO 46 CO -0.06 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1buj n GLY 47 N -0.09 0.85 3.47 0.56 0.00 -1.26 -5.00 105.19 103.73 1buj n GLY 47 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1buj n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1buj s LYS 48 N -0.34 1.67 0.29 1.61 3.01 -1.24 -4.90 119.74 119.84 1buj s LYS 48 Ca 0.00 -1.78 0.03 0.00 -1.01 0.00 0.00 55.97 53.20 1buj s LYS 48 Cb 0.00 -1.69 -0.01 0.00 -1.01 0.00 0.00 37.83 35.12 1buj s LYS 48 CO 0.00 0.28 0.10 0.43 0.51 0.00 0.00 175.35 176.67 1buj n SER 49 N -0.63 1.20 -4.81 2.83 7.64 -0.33 -4.82 113.62 114.70 1buj n SER 49 Ca -0.05 -2.53 -0.37 0.00 1.01 0.00 0.00 58.87 56.93 1buj n SER 49 Cb 0.61 0.71 -0.06 0.00 -1.01 0.00 0.00 64.21 64.46 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 -2.61 4.62 0.00 0.44 -1.09 -1.26 -1.24 121.20 120.06 1buj s ILE 50 Ca 0.14 1.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.82 1buj s ILE 50 Cb 0.01 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1buj s ILE 50 CO 0.10 0.33 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 1buj n GLY 51 N 1.06 0.44 1.63 6.18 0.00 -0.19 -1.83 105.19 112.50 1buj n GLY 51 Ca -0.05 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.20 0.60 3.90 -0.02 0.00 -0.29 -3.45 105.19 105.73 1buj n GLY 52 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.02 6.48 0.27 1.61 1.11 -1.22 -4.88 116.67 118.02 1buj s ASP 53 Ca 0.00 0.79 -0.27 0.00 0.18 0.00 0.00 52.55 53.24 1buj s ASP 53 Cb 0.00 -2.17 -0.09 0.00 1.07 0.00 0.00 42.92 41.72 1buj s ASP 53 CO 0.00 -0.20 0.92 -0.69 1.18 0.00 0.00 175.17 176.38 1buj s VAL 54 N -2.08 4.18 -0.09 -1.27 1.01 -1.26 -0.81 120.40 120.07 1buj s VAL 54 Ca 0.45 1.91 0.20 0.00 0.00 0.00 0.00 61.98 64.54 1buj s VAL 54 Cb -0.11 -4.16 -0.30 0.00 0.00 0.00 0.00 36.38 31.81 1buj s VAL 54 CO 0.29 0.34 0.32 0.33 0.00 0.00 0.00 175.10 176.39 1buj n PHE 55 N 1.09 0.00 0.00 5.22 7.35 -1.00 -4.76 117.46 125.35 1buj n PHE 55 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1buj n PHE 55 Cb 0.49 -0.66 0.00 0.00 0.35 0.00 0.00 39.48 39.65 1buj n PHE 55 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1buj n SER 56 N -2.42 0.00 -0.93 -2.13 2.88 -1.25 -4.83 113.62 104.95 1buj n SER 56 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1buj n SER 56 Cb 0.77 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 1buj n SER 56 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1buj n ASN 57 N 3.06 -5.67 -0.19 -3.46 2.85 -1.26 -4.77 115.26 105.82 1buj n ASN 57 Ca 0.00 0.68 0.08 0.00 -0.11 0.00 0.00 54.58 55.22 1buj n ASN 57 Cb 0.00 -2.06 0.11 0.00 1.24 0.00 0.00 39.78 39.07 1buj n ASN 57 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1buj n ARG 58 N -0.14 1.00 -2.51 1.20 5.12 -1.26 -5.07 116.66 115.01 1buj n ARG 58 Ca 0.00 -2.26 -0.05 0.00 -1.93 0.00 0.00 57.85 53.61 1buj n ARG 58 Cb 0.00 -1.28 -0.04 0.00 -1.16 0.00 0.00 32.46 29.98 1buj n ARG 58 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1buj n GLU 59 N -1.10 -4.14 0.00 5.56 2.13 -1.26 -4.99 120.64 116.84 1buj n GLU 59 Ca 0.13 3.17 0.00 0.00 0.66 0.00 0.00 57.16 61.11 1buj n GLU 59 Cb 0.66 -4.76 0.00 0.00 0.27 0.00 0.00 31.44 27.61 1buj n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1buj n GLY 60 N 1.47 -2.12 0.00 8.31 0.00 -1.26 -4.98 105.19 106.61 1buj n GLY 60 Ca -0.36 0.81 0.13 0.00 0.00 0.00 0.00 46.02 46.60 1buj n GLY 60 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1buj n ARG 61 N 0.00 0.00 -4.21 1.61 0.00 -1.26 -4.35 116.66 108.45 1buj n ARG 61 Ca 0.00 -0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.59 1buj n ARG 61 Cb 0.00 -1.50 -0.07 0.00 -0.00 0.00 0.00 32.46 30.89 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 -3.00 3.35 0.00 2.89 1.43 -1.26 -4.83 118.68 117.26 1buj s LEU 62 Ca 0.12 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 1buj s LEU 62 Cb 0.18 -1.97 0.21 0.00 0.03 0.00 0.00 46.19 44.63 1buj s LEU 62 CO 0.65 0.07 0.95 -0.81 0.23 0.00 0.00 176.35 177.44 1buj n PRO 63 N -0.27 -1.84 -3.88 1.29 -0.04 -1.26 -4.60 135.00 124.40 1buj n PRO 63 Ca -0.09 -1.48 -0.09 0.00 -0.04 0.00 0.00 63.50 61.80 1buj n PRO 63 Cb 0.56 -1.17 -0.08 0.00 -0.04 0.00 0.00 33.50 32.77 1buj n PRO 63 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1buj s SER 64 N -4.30 0.14 0.21 3.54 1.04 -1.26 -4.77 113.70 108.29 1buj s SER 64 Ca 0.57 -0.63 -0.23 0.00 0.48 0.00 0.00 55.95 56.14 1buj s SER 64 Cb -0.03 0.32 0.05 0.00 0.10 0.00 0.00 66.02 66.45 1buj s SER 64 CO 0.42 -0.69 0.69 0.00 0.98 0.00 0.00 173.24 174.64 1buj s ALA 65 N -3.64 -1.44 -0.02 5.32 0.00 -1.26 -5.07 121.76 115.65 1buj s ALA 65 Ca 0.03 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 1buj s ALA 65 Cb 0.04 0.83 -0.07 0.00 0.00 0.00 0.00 23.12 23.92 1buj s ALA 65 CO -0.10 -0.91 1.90 -1.54 0.00 0.00 0.00 175.76 175.12 1buj s SER 66 N -2.83 6.41 0.00 0.00 1.04 -1.26 -1.56 113.70 115.50 1buj s SER 66 Ca 0.06 2.46 0.00 0.00 0.48 0.00 0.00 55.95 58.95 1buj s SER 66 Cb -0.03 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1buj s SER 66 CO -0.03 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1buj n GLY 67 N 4.56 0.70 3.67 7.32 0.00 -1.26 -5.01 105.19 115.17 1buj n GLY 67 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.31 4.27 0.22 1.61 3.52 -0.60 -4.93 118.95 122.73 1buj s ARG 68 Ca 0.00 0.83 0.10 0.00 -0.13 0.00 0.00 55.73 56.53 1buj s ARG 68 Cb 0.00 -3.56 -0.05 0.00 -1.56 0.00 0.00 34.95 29.78 1buj s ARG 68 CO 0.00 -0.25 -0.20 0.99 -0.81 0.00 0.00 175.30 175.03 1buj s THR 69 N 1.92 2.16 0.07 4.11 2.01 -1.26 -4.79 115.64 119.86 1buj s THR 69 Ca 0.34 -2.16 0.09 0.00 0.31 0.00 0.00 61.69 60.27 1buj s THR 69 Cb -0.16 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 1buj s THR 69 CO 0.12 -0.34 -0.24 0.26 -0.69 0.00 0.00 174.62 173.73 1buj s TRP 70 N -2.25 2.39 0.02 4.92 0.52 -1.26 -0.61 118.94 122.67 1buj s TRP 70 Ca 0.23 -0.36 0.01 0.00 0.02 0.00 0.00 56.10 56.00 1buj s TRP 70 Cb -0.05 -1.37 -0.02 0.00 -1.15 0.00 0.00 33.47 30.88 1buj s TRP 70 CO 0.10 0.22 -0.04 1.03 0.02 0.00 0.00 176.95 178.29 1buj s ARG 71 N -1.54 0.32 0.34 4.98 0.52 -0.62 -2.39 118.95 120.57 1buj s ARG 71 Ca 0.13 -0.48 0.08 0.00 -0.52 0.00 0.00 55.73 54.94 1buj s ARG 71 Cb -0.10 -0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.25 1buj s ARG 71 CO 0.04 0.01 0.20 -1.83 0.02 0.00 0.00 175.30 173.74 1buj s GLU 72 N -1.05 2.50 -0.01 3.54 -1.05 0.01 -1.44 118.70 121.19 1buj s GLU 72 Ca -0.09 -1.46 -0.29 0.00 -0.15 0.00 0.00 54.97 52.97 1buj s GLU 72 Cb -0.07 -2.28 0.08 0.00 -0.44 0.00 0.00 34.13 31.41 1buj s GLU 72 CO -0.00 0.09 0.71 0.00 0.95 0.00 0.00 175.26 177.01 1buj s ALA 73 N -2.39 -1.75 0.52 -0.84 0.00 -0.03 -1.14 121.76 116.13 1buj s ALA 73 Ca 0.39 1.14 -0.15 0.00 0.00 0.00 0.00 51.96 53.34 1buj s ALA 73 Cb -0.04 0.15 -0.07 0.00 0.00 0.00 0.00 23.12 23.16 1buj s ALA 73 CO 0.24 -0.48 0.97 -0.51 0.00 0.00 0.00 175.76 175.99 1buj s ASP 74 N -1.62 6.56 0.27 0.00 1.11 -0.76 -0.83 116.67 121.40 1buj s ASP 74 Ca -0.06 1.51 0.07 0.00 0.18 0.00 0.00 52.55 54.25 1buj s ASP 74 Cb -0.00 -2.48 -0.06 0.00 1.07 0.00 0.00 42.92 41.45 1buj s ASP 74 CO 0.02 -0.61 -0.08 -0.63 1.18 0.00 0.00 175.17 175.05 1buj s ILE 75 N -2.68 1.75 0.00 0.77 -1.09 -1.10 -4.82 121.20 114.02 1buj s ILE 75 Ca 0.58 -2.16 0.00 0.00 -2.23 0.00 0.00 60.65 56.83 1buj s ILE 75 Cb -0.10 -2.38 0.00 0.00 -1.58 0.00 0.00 42.46 38.40 1buj s ILE 75 CO 0.34 -0.35 0.00 0.59 -1.23 0.00 0.00 174.94 174.29 1buj n ASN 76 N -0.56 0.00 -3.05 3.58 4.13 -0.00 -4.78 115.26 114.58 1buj n ASN 76 Ca -0.06 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.17 1buj n ASN 76 Cb 0.63 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 1buj n ASN 76 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1buj n TYR 77 N 0.00 -1.61 -0.00 3.10 9.36 -1.26 -4.96 117.16 121.79 1buj n TYR 77 Ca 0.00 0.70 -0.01 0.00 3.32 0.00 0.00 57.90 61.92 1buj n TYR 77 Cb 0.00 -2.14 -0.00 0.00 -0.63 0.00 0.00 39.34 36.57 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 0.94 0.20 -3.85 2.97 0.31 -1.26 -5.10 118.33 112.54 1buj n VAL 78 Ca -0.00 0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1buj n VAL 78 Cb 0.35 -1.32 0.01 0.00 -0.91 0.00 0.00 33.84 31.97 1buj n VAL 78 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1buj s SER 79 N -4.78 -0.02 0.00 4.52 1.04 -1.26 -5.03 113.70 108.16 1buj s SER 79 Ca -0.02 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1buj s SER 79 Cb 0.00 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1buj s SER 79 CO 0.03 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1buj n GLY 80 N -0.71 -1.53 2.61 7.32 0.00 -1.26 -4.91 105.19 106.70 1buj n GLY 80 Ca -0.02 -1.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.71 -1.53 1.61 3.72 -1.26 -2.34 117.46 113.96 1buj n PHE 81 Ca 0.00 -0.75 -0.47 0.00 -0.05 0.00 0.00 57.45 56.18 1buj n PHE 81 Cb 0.00 -0.82 -0.03 0.00 -0.94 0.00 0.00 39.48 37.69 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 -3.81 0.87 -3.88 -1.08 5.12 -1.26 -4.83 116.66 107.79 1buj n ARG 82 Ca 0.11 0.30 -0.31 0.00 -1.93 0.00 0.00 57.85 56.03 1buj n ARG 82 Cb 0.43 -1.60 -0.04 0.00 -1.16 0.00 0.00 32.46 30.09 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 -0.56 6.38 0.07 0.55 2.20 -1.26 -5.01 114.94 117.31 1buj s ASN 83 Ca 0.64 0.32 -0.01 0.00 -0.94 0.00 0.00 52.86 52.87 1buj s ASN 83 Cb -0.82 -1.98 -0.26 0.00 -2.00 0.00 0.00 41.25 36.19 1buj s ASN 83 CO 0.57 0.14 1.12 0.00 -2.94 0.00 0.00 177.10 175.99 1buj h ALA 84 N 2.98 0.21 -2.13 3.54 0.00 -1.93 -3.45 119.26 118.48 1buj h ALA 84 Ca -0.45 -0.95 -0.57 0.00 0.00 0.00 0.00 54.91 52.94 1buj h ALA 84 Cb 1.16 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1buj h ALA 84 CO 0.75 1.09 0.91 -0.51 0.00 0.00 0.00 179.25 181.48 1buj s ASP 85 N -6.98 6.93 0.21 0.00 1.11 -1.26 -3.55 116.67 113.13 1buj s ASP 85 Ca -0.04 1.65 -0.08 0.00 0.18 0.00 0.00 52.55 54.27 1buj s ASP 85 Cb 0.08 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.51 1buj s ASP 85 CO 0.86 -0.78 0.30 -0.13 1.18 0.00 0.00 175.17 176.60 1buj s ARG 86 N 3.54 1.31 -0.07 8.23 0.52 -0.02 -2.72 118.95 129.74 1buj s ARG 86 Ca 0.54 -1.36 -0.06 0.00 -0.52 0.00 0.00 55.73 54.33 1buj s ARG 86 Cb -0.21 0.37 0.02 0.00 0.52 0.00 0.00 34.95 35.66 1buj s ARG 86 CO 0.15 -0.49 0.19 -1.17 0.02 0.00 0.00 175.30 174.00 1buj s LEU 87 N -3.05 1.14 -0.05 2.53 0.20 -0.01 -1.07 118.68 118.37 1buj s LEU 87 Ca 0.26 0.39 0.06 0.00 0.69 0.00 0.00 54.13 55.54 1buj s LEU 87 Cb 0.03 0.64 -0.01 0.00 -0.43 0.00 0.00 46.19 46.41 1buj s LEU 87 CO 0.07 -0.08 -0.25 -0.69 -0.29 0.00 0.00 176.35 175.11 1buj s VAL 88 N 0.31 2.03 0.03 1.68 1.01 -0.22 -0.85 120.40 124.39 1buj s VAL 88 Ca -0.02 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 60.94 1buj s VAL 88 Cb -0.03 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1buj s VAL 88 CO -0.01 0.57 -0.14 -0.72 0.00 0.00 0.00 175.10 174.80 1buj s TYR 89 N -0.25 1.22 0.74 5.22 -0.85 -0.52 -1.18 117.35 121.73 1buj s TYR 89 Ca -0.01 -0.33 -0.03 0.00 -0.52 0.00 0.00 57.07 56.18 1buj s TYR 89 Cb -0.13 -0.74 0.12 0.00 0.38 0.00 0.00 41.96 41.60 1buj s TYR 89 CO 0.03 0.02 1.03 -1.54 -1.52 0.00 0.00 175.55 173.56 1buj s SER 90 N -0.96 4.28 0.22 -0.18 1.04 -0.80 -1.59 113.70 115.71 1buj s SER 90 Ca 0.02 -0.18 -0.06 0.00 0.48 0.00 0.00 55.95 56.21 1buj s SER 90 Cb -0.07 -0.21 0.19 0.00 0.10 0.00 0.00 66.02 66.03 1buj s SER 90 CO 0.01 -1.91 1.69 0.28 0.98 0.00 0.00 173.24 174.29 1buj h SER 91 N -0.65 0.91 -0.55 7.02 0.02 -1.21 -1.89 113.55 117.20 1buj h SER 91 Ca -0.39 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 1buj h SER 91 Cb 1.27 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1buj h SER 91 CO 0.42 0.98 0.00 -0.90 -1.14 0.00 0.00 176.83 176.19 1buj n ASP 92 N -4.18 3.98 -2.29 3.07 5.68 -1.26 -4.92 116.55 116.62 1buj n ASP 92 Ca 0.03 -2.33 -0.09 0.00 -0.50 0.00 0.00 54.79 51.90 1buj n ASP 92 Cb 0.34 -0.51 0.04 0.00 -1.14 0.00 0.00 41.12 39.85 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 0.96 -1.16 -3.71 2.11 7.02 -0.71 -5.02 117.44 116.93 1buj n TRP 93 Ca 0.22 0.48 -0.37 0.00 -1.02 0.00 0.00 57.50 56.80 1buj n TRP 93 Cb 0.74 -3.53 -0.11 0.00 -2.42 0.00 0.00 31.31 25.99 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 -4.24 3.87 -0.03 -0.99 1.43 -1.26 -4.87 118.68 112.58 1buj s LEU 94 Ca 0.06 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1buj s LEU 94 Cb -0.01 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1buj s LEU 94 CO 0.38 0.02 -0.23 -0.63 0.23 0.00 0.00 176.35 176.11 1buj s ILE 95 N 1.35 2.30 -0.03 -0.59 1.01 -1.26 -1.90 121.20 122.08 1buj s ILE 95 Ca 0.06 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.67 1buj s ILE 95 Cb -0.15 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.50 1buj s ILE 95 CO 0.06 0.58 0.09 -0.31 0.00 0.00 0.00 174.94 175.36 1buj s TYR 96 N -0.60 -0.09 0.31 3.97 1.51 -0.32 -3.08 117.35 119.04 1buj s TYR 96 Ca 0.09 0.22 0.07 0.00 -1.01 0.00 0.00 57.07 56.44 1buj s TYR 96 Cb -0.10 0.03 -0.02 0.00 -0.11 0.00 0.00 41.96 41.75 1buj s TYR 96 CO -0.00 -0.06 0.35 -1.59 -1.11 0.00 0.00 175.55 173.14 1buj s LYS 97 N -0.02 3.01 -0.20 -0.62 0.00 -0.31 -1.06 119.74 120.53 1buj s LYS 97 Ca -0.01 -1.07 -0.12 0.00 0.00 0.00 0.00 55.97 54.77 1buj s LYS 97 Cb -0.01 -2.67 0.06 0.00 0.00 0.00 0.00 37.83 35.21 1buj s LYS 97 CO 0.00 0.19 0.49 -0.08 0.00 0.00 0.00 175.35 175.95 1buj s THR 98 N -2.18 -0.02 -1.02 3.79 -1.32 -0.24 -2.54 115.64 112.12 1buj s THR 98 Ca 0.40 0.06 0.23 0.00 -1.21 0.00 0.00 61.69 61.16 1buj s THR 98 Cb -0.08 -0.72 -0.11 0.00 -1.51 0.00 0.00 72.50 70.08 1buj s THR 98 CO 0.28 0.02 1.15 0.35 -2.21 0.00 0.00 174.62 174.22 1buj n THR 99 N 4.07 0.00 0.02 5.08 -2.24 -1.26 -0.84 114.28 119.11 1buj n THR 99 Ca -0.21 -0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.59 1buj n THR 99 Cb 0.56 0.64 0.06 0.00 -2.10 0.00 0.00 70.33 69.49 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 -1.48 2.14 -3.03 3.42 5.68 -1.26 -4.28 116.55 117.73 1buj n ASP 100 Ca 0.05 -1.74 -0.04 0.00 -0.50 0.00 0.00 54.79 52.55 1buj n ASP 100 Cb 0.33 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 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 0.13 -3.11 -3.56 2.11 -0.00 -1.23 -3.85 115.22 105.70 1buj n HIS 101 Ca 0.05 1.21 -0.21 0.00 -0.00 0.00 0.00 57.72 58.78 1buj n HIS 101 Cb 0.27 -4.01 0.07 0.00 -0.00 0.00 0.00 29.99 26.33 1buj n HIS 101 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1buj n TYR 102 N -1.30 -2.30 -0.13 1.57 4.01 -1.26 -4.89 117.16 112.86 1buj n TYR 102 Ca 0.02 0.94 -0.28 0.00 -0.16 0.00 0.00 57.90 58.42 1buj n TYR 102 Cb 0.50 -4.85 -0.09 0.00 -0.31 0.00 0.00 39.34 34.59 1buj n TYR 102 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1buj n ALA 103 N -4.41 1.19 -2.36 -0.72 0.00 -1.25 -5.08 120.51 107.88 1buj n ALA 103 Ca -0.20 -1.07 -0.20 0.00 0.00 0.00 0.00 53.44 51.97 1buj n ALA 103 Cb 0.64 0.13 -0.09 0.00 0.00 0.00 0.00 19.45 20.13 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 -2.54 0.41 0.03 0.00 -4.23 -1.26 -5.14 115.64 102.91 1buj s THR 104 Ca -0.38 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.13 1buj s THR 104 Cb 0.14 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 1buj s THR 104 CO 0.48 0.00 -0.03 -0.36 -0.54 0.00 0.00 174.62 174.17 1buj s PHE 105 N -3.54 0.34 -0.05 3.99 0.08 -1.26 -4.67 117.98 112.86 1buj s PHE 105 Ca 0.34 -0.69 -0.03 0.00 0.12 0.00 0.00 56.93 56.67 1buj s PHE 105 Cb 0.05 -0.25 0.03 0.00 -0.57 0.00 0.00 43.02 42.28 1buj s PHE 105 CO 0.17 -0.25 0.12 0.99 -0.10 0.00 0.00 175.22 176.15 1buj s THR 106 N -2.23 -0.04 0.37 0.64 2.01 -1.05 -4.98 115.64 110.37 1buj s THR 106 Ca -0.09 0.13 -0.27 0.00 0.31 0.00 0.00 61.69 61.78 1buj s THR 106 Cb -0.04 -0.20 -0.09 0.00 0.01 0.00 0.00 72.50 72.18 1buj s THR 106 CO -0.04 0.05 1.22 0.00 -0.69 0.00 0.00 174.62 175.16 1buj s ARG 107 N 0.85 4.17 -0.02 4.92 1.70 -1.26 -1.16 118.95 128.15 1buj s ARG 107 Ca -0.07 1.98 0.08 0.00 -0.47 0.00 0.00 55.73 57.25 1buj s ARG 107 Cb -0.09 -2.84 -0.12 0.00 -0.57 0.00 0.00 34.95 31.34 1buj s ARG 107 CO -0.04 -0.26 0.14 0.44 -1.08 0.00 0.00 175.30 174.50 1buj n ILE 108 N 0.38 0.10 -0.96 4.99 -0.00 -1.18 -4.89 119.36 117.80 1buj n ILE 108 Ca 0.03 -0.21 0.00 0.00 -0.00 0.00 0.00 62.75 62.57 1buj n ILE 108 Cb 0.45 0.10 0.00 0.00 -0.00 0.00 0.00 39.64 40.19 1buj n ILE 108 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41