#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1buj n VAL 2 N 0.00 0.20 -4.83 0.00 0.24 -1.26 -4.68 118.33 107.99 1buj n VAL 2 Ca 0.00 -4.67 -0.28 0.00 -2.04 0.00 0.00 64.34 57.36 1buj n VAL 2 Cb 0.00 -0.56 -0.17 0.00 -1.47 0.00 0.00 33.84 31.64 1buj n VAL 2 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1buj s ILE 3 N -2.56 1.50 -0.30 1.34 1.01 -1.26 -5.00 121.20 115.92 1buj s ILE 3 Ca 0.41 -0.69 0.12 0.00 0.00 0.00 0.00 60.65 60.48 1buj s ILE 3 Cb 0.32 -1.33 0.37 0.00 0.01 0.00 0.00 42.46 41.83 1buj s ILE 3 CO -0.09 0.44 1.47 -0.46 0.00 0.00 0.00 174.94 176.30 1buj n ASN 4 N 3.70 -1.31 -4.17 3.58 6.94 -1.26 -4.91 115.26 117.84 1buj n ASN 4 Ca -0.21 -2.19 -0.14 0.00 -0.02 0.00 0.00 54.58 52.01 1buj n ASN 4 Cb 0.52 0.61 -0.11 0.00 -2.36 0.00 0.00 39.78 38.44 1buj n ASN 4 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1buj s THR 5 N -0.01 0.91 0.09 5.53 -4.23 -1.26 -3.00 115.64 113.66 1buj s THR 5 Ca 0.09 -1.59 -0.21 0.00 -1.18 0.00 0.00 61.69 58.80 1buj s THR 5 Cb 0.40 -1.30 -0.11 0.00 1.34 0.00 0.00 72.50 72.83 1buj s THR 5 CO -0.11 -0.54 1.66 -0.26 -0.54 0.00 0.00 174.62 174.83 1buj h PHE 6 N 3.66 0.20 -0.33 3.99 0.04 -1.98 0.11 116.94 122.62 1buj h PHE 6 Ca -0.37 -0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.25 1buj h PHE 6 Cb 1.19 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.27 1buj h PHE 6 CO 0.63 0.24 -0.36 -0.44 -0.60 0.00 0.00 178.31 177.78 1buj h ASP 7 N 0.10 0.81 0.32 2.17 5.19 -1.98 -2.48 116.42 120.54 1buj h ASP 7 Ca 0.05 -0.35 -0.02 0.00 -0.62 0.00 0.00 57.03 56.09 1buj h ASP 7 Cb 0.11 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.40 1buj h ASP 7 CO -0.01 1.09 -0.15 1.23 -3.12 0.00 0.00 179.24 178.28 1buj h GLY 8 N 0.92 -0.45 1.04 2.75 0.00 -1.86 0.09 103.07 105.57 1buj h GLY 8 Ca 0.06 0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 1buj h GLY 8 CO 0.08 -0.16 0.23 -2.08 0.00 0.00 0.00 176.54 174.61 1buj h VAL 9 N -0.78 1.26 -0.89 4.60 2.07 -1.10 -1.67 116.25 119.75 1buj h VAL 9 Ca -0.04 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 66.68 1buj h VAL 9 Cb 0.51 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1buj h VAL 9 CO 0.07 0.34 0.55 0.00 0.02 0.00 0.00 177.57 178.55 1buj h ALA 10 N 1.11 1.24 -0.51 1.67 0.00 -1.35 0.02 119.26 121.43 1buj h ALA 10 Ca 0.23 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1buj h ALA 10 Cb 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1buj h ALA 10 CO -0.01 0.28 -0.08 -0.44 0.00 0.00 0.00 179.25 179.00 1buj h ASP 11 N 0.99 0.92 0.14 0.00 5.19 -0.31 -2.45 116.42 120.90 1buj h ASP 11 Ca 0.39 -0.28 -0.13 0.00 -0.62 0.00 0.00 57.03 56.39 1buj h ASP 11 Cb 0.21 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1buj h ASP 11 CO -0.19 1.02 -0.47 0.22 -3.12 0.00 0.00 179.24 176.71 1buj h TYR 12 N 0.84 0.47 0.38 4.55 5.03 -0.35 -0.56 116.97 127.33 1buj h TYR 12 Ca 0.14 -0.15 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1buj h TYR 12 Cb 0.61 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.77 1buj h TYR 12 CO 0.04 0.79 -0.34 -0.07 -1.32 0.00 0.00 178.16 177.25 1buj h LEU 13 N 0.31 -0.91 -0.92 2.82 3.38 -0.84 -0.62 115.31 118.53 1buj h LEU 13 Ca 0.02 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.17 1buj h LEU 13 Cb 0.94 0.30 -0.08 0.00 0.09 0.00 0.00 40.66 41.92 1buj h LEU 13 CO 0.08 -0.49 0.56 0.40 0.09 0.00 0.00 178.44 179.08 1buj h ILE 14 N -0.74 0.91 0.22 1.22 1.08 -1.07 0.40 117.51 119.54 1buj h ILE 14 Ca -0.03 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.12 1buj h ILE 14 Cb 0.65 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 1buj h ILE 14 CO -0.04 0.16 -0.11 -0.09 -0.69 0.00 0.00 178.15 177.39 1buj h ARG 15 N 0.90 -0.29 -0.01 2.37 2.43 -0.81 -3.34 114.38 115.62 1buj h ARG 15 Ca 0.46 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 1buj h ARG 15 Cb 0.44 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1buj h ARG 15 CO -0.26 -0.19 -0.29 0.66 -1.51 0.00 0.00 179.97 178.37 1buj n TYR 16 N -3.28 0.00 -3.28 2.20 4.02 -0.27 -4.91 117.16 111.64 1buj n TYR 16 Ca -0.04 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.63 1buj n TYR 16 Cb 0.12 -0.10 0.06 0.00 -0.02 0.00 0.00 39.34 39.39 1buj n TYR 16 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1buj n LYS 17 N -0.54 -6.26 -3.79 -0.72 4.01 0.14 -4.97 118.16 106.03 1buj n LYS 17 Ca 0.12 0.83 -0.02 0.00 -0.51 0.00 0.00 58.31 58.72 1buj n LYS 17 Cb 0.37 -5.68 -0.00 0.00 -0.51 0.00 0.00 35.03 29.21 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 -5.97 1.11 0.91 1.97 1.70 -1.21 -5.05 118.95 112.41 1buj s ARG 18 Ca 0.43 -0.66 -0.12 0.00 -0.47 0.00 0.00 55.73 54.92 1buj s ARG 18 Cb -0.19 0.35 0.14 0.00 -0.57 0.00 0.00 34.95 34.68 1buj s ARG 18 CO 0.54 -0.51 1.09 -0.51 -1.08 0.00 0.00 175.30 174.83 1buj s LEU 19 N -3.13 2.15 0.82 -1.89 1.43 -1.26 -3.59 118.68 113.21 1buj s LEU 19 Ca 0.16 1.43 -0.12 0.00 -1.03 0.00 0.00 54.13 54.58 1buj s LEU 19 Cb -0.01 -3.82 0.08 0.00 0.03 0.00 0.00 46.19 42.48 1buj s LEU 19 CO 0.02 -2.72 1.10 -2.16 0.23 0.00 0.00 176.35 172.83 1buj s PRO 20 N -4.94 1.88 0.00 1.29 0.04 -1.26 -4.97 135.00 127.04 1buj s PRO 20 Ca 0.64 0.57 0.21 0.00 0.04 0.00 0.00 61.00 62.46 1buj s PRO 20 Cb -0.18 -1.90 0.72 0.00 0.04 0.00 0.00 34.50 33.18 1buj s PRO 20 CO 0.57 -1.74 1.53 -3.47 0.04 0.00 0.00 177.00 173.93 1buj n ASP 21 N -3.51 1.76 0.18 6.66 2.03 -1.26 -3.16 116.55 119.25 1buj n ASP 21 Ca 0.07 -1.73 0.14 0.00 0.52 0.00 0.00 54.79 53.79 1buj n ASP 21 Cb 0.57 -0.11 0.44 0.00 -0.72 0.00 0.00 41.12 41.30 1buj n ASP 21 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1buj h ASN 22 N 2.33 0.00 -3.65 1.67 -1.07 -1.93 -3.42 115.58 109.51 1buj h ASN 22 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 56.30 55.72 1buj h ASN 22 Cb 0.51 0.00 -0.16 0.00 -2.07 0.00 0.00 38.32 36.60 1buj h ASN 22 CO 0.00 0.00 -0.17 -0.31 0.07 0.00 0.00 177.43 177.02 1buj s TYR 23 N -3.31 3.21 0.55 4.14 2.02 -1.19 -2.27 117.35 120.49 1buj s TYR 23 Ca 0.06 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.94 1buj s TYR 23 Cb 0.09 -2.75 0.03 0.00 -0.40 0.00 0.00 41.96 38.93 1buj s TYR 23 CO 0.55 -0.43 0.78 0.96 -1.57 0.00 0.00 175.55 175.83 1buj s ILE 24 N 2.19 2.88 0.59 2.71 -4.36 0.09 -4.71 121.20 120.60 1buj s ILE 24 Ca 0.16 -0.60 -0.03 0.00 -0.26 0.00 0.00 60.65 59.92 1buj s ILE 24 Cb -0.16 -3.09 0.03 0.00 1.25 0.00 0.00 42.46 40.49 1buj s ILE 24 CO 0.12 -0.07 0.86 0.42 0.24 0.00 0.00 174.94 176.51 1buj s THR 25 N -2.76 2.99 0.26 8.37 -4.23 -1.25 -0.68 115.64 118.33 1buj s THR 25 Ca 0.56 -0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 60.69 1buj s THR 25 Cb -0.10 -3.18 0.25 0.00 1.34 0.00 0.00 72.50 70.81 1buj s THR 25 CO 0.39 -0.16 1.82 0.11 -0.54 0.00 0.00 174.62 176.24 1buj h LYS 26 N -0.14 0.86 -1.01 3.99 1.57 -1.94 -2.41 116.57 117.50 1buj h LYS 26 Ca -0.44 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1buj h LYS 26 Cb 1.29 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.35 1buj h LYS 26 CO 0.57 0.57 0.66 0.77 -0.57 0.00 0.00 179.45 181.46 1buj h SER 27 N 0.88 1.13 -0.09 0.86 0.02 -1.99 0.73 113.55 115.10 1buj h SER 27 Ca 0.45 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 61.20 1buj h SER 27 Cb 0.45 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.72 1buj h SER 27 CO -0.27 0.80 -0.64 1.56 -1.14 0.00 0.00 176.83 177.15 1buj h GLN 28 N 1.33 0.59 -0.61 3.45 1.08 -1.83 -1.27 115.11 117.85 1buj h GLN 28 Ca 0.38 -0.52 0.05 0.00 -1.45 0.00 0.00 58.65 57.11 1buj h GLN 28 Cb -0.09 0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.41 1buj h GLN 28 CO -0.10 1.14 0.33 0.00 -0.95 0.00 0.00 178.83 179.25 1buj h ALA 29 N 0.46 0.80 -0.56 3.87 0.00 -1.06 -2.57 119.26 120.19 1buj h ALA 29 Ca -0.05 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1buj h ALA 29 Cb 1.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1buj h ALA 29 CO 0.13 0.01 0.01 0.77 0.00 0.00 0.00 179.25 180.18 1buj h SER 30 N 0.63 0.96 -0.92 0.00 0.02 -0.69 -0.65 113.55 112.90 1buj h SER 30 Ca 0.27 -0.30 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1buj h SER 30 Cb 0.14 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.37 1buj h SER 30 CO -0.16 1.02 0.60 0.00 -1.14 0.00 0.00 176.83 177.15 1buj h ALA 31 N 0.97 1.46 0.00 3.77 0.00 -0.97 0.37 119.26 124.87 1buj h ALA 31 Ca 0.16 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1buj h ALA 31 Cb 0.52 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1buj h ALA 31 CO 0.03 0.42 -0.31 -0.07 0.00 0.00 0.00 179.25 179.32 1buj h LEU 32 N 1.09 0.00 0.00 0.00 3.38 -1.03 -3.46 115.31 115.29 1buj h LEU 32 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1buj h LEU 32 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1buj h LEU 32 CO -0.13 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.31 1buj n GLY 33 N 0.39 1.31 3.74 0.83 0.00 0.12 -4.96 105.19 106.62 1buj n GLY 33 Ca 0.00 0.00 -0.40 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 3.71 -0.05 1.61 -0.00 -0.32 -4.94 118.94 116.95 1buj s TRP 34 Ca 0.00 1.43 0.17 0.00 -0.00 0.00 0.00 56.10 57.70 1buj s TRP 34 Cb 0.00 -2.81 -0.25 0.00 -0.00 0.00 0.00 33.47 30.41 1buj s TRP 34 CO 0.00 0.26 0.32 0.28 -0.00 0.00 0.00 176.95 177.81 1buj n VAL 35 N 2.92 0.19 -2.76 5.86 0.31 -1.24 -4.40 118.33 119.20 1buj n VAL 35 Ca -0.03 -0.44 -0.19 0.00 -0.01 0.00 0.00 64.34 63.67 1buj n VAL 35 Cb 0.50 -0.01 0.02 0.00 -0.91 0.00 0.00 33.84 33.44 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 -2.18 -0.76 0.10 3.52 0.00 -1.26 -4.62 120.51 115.31 1buj n ALA 36 Ca -0.07 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1buj n ALA 36 Cb 0.55 -3.06 0.00 0.00 0.00 0.00 0.00 19.45 16.94 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 -1.83 -1.89 0.00 0.00 2.88 -1.26 -4.98 113.62 106.55 1buj n SER 37 Ca -0.13 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1buj n SER 37 Cb 0.62 1.97 0.00 0.00 -0.75 0.00 0.00 64.21 66.06 1buj n SER 37 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1buj n LYS 38 N -2.88 0.00 -2.25 -1.46 5.02 -1.26 -4.87 118.16 110.46 1buj n LYS 38 Ca 0.00 0.15 -0.43 0.00 -2.02 0.00 0.00 58.31 56.01 1buj n LYS 38 Cb 0.00 -0.65 -0.02 0.00 -0.02 0.00 0.00 35.03 34.34 1buj n LYS 38 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1buj s GLY 39 N -2.70 1.64 0.93 0.72 0.00 -1.26 -5.00 107.32 101.65 1buj s GLY 39 Ca 0.00 0.69 -0.12 0.00 0.00 0.00 0.00 44.72 45.28 1buj s GLY 39 CO 0.00 2.69 1.12 0.54 0.00 0.00 0.00 173.10 177.45 1buj s ASN 40 N 2.45 3.33 -0.03 1.64 4.22 -1.26 -3.64 114.94 121.65 1buj s ASN 40 Ca 0.63 1.07 -0.13 0.00 -2.14 0.00 0.00 52.86 52.29 1buj s ASN 40 Cb -0.27 -1.69 -0.07 0.00 1.28 0.00 0.00 41.25 40.50 1buj s ASN 40 CO 0.22 -2.67 0.58 0.25 -2.04 0.00 0.00 177.10 173.43 1buj h LEU 41 N -1.58 -0.39 -2.57 3.54 5.85 -1.90 -3.25 115.31 115.01 1buj h LEU 41 Ca -0.51 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.23 1buj h LEU 41 Cb 1.32 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 1buj h LEU 41 CO 0.60 -0.01 0.10 0.00 -0.34 0.00 0.00 178.44 178.79 1buj h ALA 42 N -1.25 1.32 0.35 1.25 0.00 -1.88 0.16 119.26 119.20 1buj h ALA 42 Ca -0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1buj h ALA 42 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1buj h ALA 42 CO 0.08 -0.12 -0.38 1.49 0.00 0.00 0.00 179.25 180.32 1buj h GLU 43 N 0.00 -0.73 0.00 0.00 4.81 -1.96 -2.90 114.58 113.80 1buj h GLU 43 Ca 0.02 0.05 -0.28 0.00 -0.13 0.00 0.00 59.36 59.02 1buj h GLU 43 Cb 0.22 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 1buj h GLU 43 CO -0.00 -0.49 -2.22 1.55 -0.73 0.00 0.00 179.01 177.12 1buj n VAL 44 N -5.47 1.09 -3.70 0.32 3.14 0.36 -4.51 118.33 109.55 1buj n VAL 44 Ca -0.10 -0.77 -0.29 0.00 -2.96 0.00 0.00 64.34 60.23 1buj n VAL 44 Cb 0.38 -0.40 -0.12 0.00 -1.06 0.00 0.00 33.84 32.63 1buj n VAL 44 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1buj s ALA 45 N -2.74 2.42 0.21 1.55 0.00 0.00 -4.90 121.76 118.30 1buj s ALA 45 Ca -0.09 -2.87 -0.30 0.00 0.00 0.00 0.00 51.96 48.71 1buj s ALA 45 Cb 0.08 -1.91 -0.08 0.00 0.00 0.00 0.00 23.12 21.21 1buj s ALA 45 CO 0.85 -2.05 1.11 -1.25 0.00 0.00 0.00 175.76 174.41 1buj s PRO 46 N -0.12 4.60 0.00 0.00 0.04 -1.10 -3.96 135.00 134.47 1buj s PRO 46 Ca 0.22 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1buj s PRO 46 Cb -0.15 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1buj s PRO 46 CO -0.07 0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1buj n GLY 47 N 1.78 0.53 3.42 0.56 0.00 -1.26 -5.03 105.19 105.19 1buj n GLY 47 Ca 0.02 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.04 1.23 0.38 1.61 0.00 -1.25 -4.98 119.74 113.69 1buj s LYS 48 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 55.97 55.08 1buj s LYS 48 Cb 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 37.83 38.28 1buj s LYS 48 CO 0.00 -0.49 0.14 0.43 0.00 0.00 0.00 175.35 175.43 1buj n SER 49 N -0.27 1.13 -4.74 0.03 7.64 -0.96 -4.83 113.62 111.62 1buj n SER 49 Ca -0.11 -3.03 -0.39 0.00 1.01 0.00 0.00 58.87 56.35 1buj n SER 49 Cb 0.63 0.99 -0.05 0.00 -1.01 0.00 0.00 64.21 64.76 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 -2.99 4.91 -0.11 0.44 -1.09 -1.26 -0.73 121.20 120.37 1buj s ILE 50 Ca 0.20 1.41 -0.33 0.00 -2.23 0.00 0.00 60.65 59.70 1buj s ILE 50 Cb 0.01 -4.02 0.13 0.00 -1.58 0.00 0.00 42.46 37.00 1buj s ILE 50 CO 0.14 0.35 1.16 -0.83 -1.23 0.00 0.00 174.94 174.53 1buj s GLY 51 N 0.18 -0.34 0.00 6.18 0.00 0.14 -1.24 107.32 112.24 1buj s GLY 51 Ca 0.35 1.28 0.00 0.00 0.00 0.00 0.00 44.72 46.35 1buj s GLY 51 CO 0.19 0.40 0.00 0.61 0.00 0.00 0.00 173.10 174.30 1buj n GLY 52 N -0.20 0.73 3.92 0.20 0.00 -0.97 -3.90 105.19 104.97 1buj n GLY 52 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.09 6.41 0.42 1.61 1.11 -1.21 -4.92 116.67 117.99 1buj s ASP 53 Ca 0.00 0.42 -0.20 0.00 0.18 0.00 0.00 52.55 52.95 1buj s ASP 53 Cb 0.00 -2.02 -0.11 0.00 1.07 0.00 0.00 42.92 41.86 1buj s ASP 53 CO 0.00 0.01 0.93 -0.69 1.18 0.00 0.00 175.17 176.60 1buj s VAL 54 N -1.77 4.42 0.12 -1.27 1.01 -1.26 -0.81 120.40 120.84 1buj s VAL 54 Ca 0.38 1.44 0.07 0.00 0.00 0.00 0.00 61.98 63.87 1buj s VAL 54 Cb -0.11 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1buj s VAL 54 CO 0.28 -0.30 -0.08 0.12 0.00 0.00 0.00 175.10 175.12 1buj s PHE 55 N -2.16 2.77 -1.33 5.22 2.19 -0.92 -4.67 117.98 119.08 1buj s PHE 55 Ca 0.61 -0.15 -0.16 0.00 0.33 0.00 0.00 56.93 57.57 1buj s PHE 55 Cb -0.09 -1.42 0.08 0.00 -1.31 0.00 0.00 43.02 40.28 1buj s PHE 55 CO 0.14 0.45 1.83 0.45 1.83 0.00 0.00 175.22 179.92 1buj n SER 56 N 0.51 4.71 -4.31 6.13 2.88 -1.26 -4.75 113.62 117.53 1buj n SER 56 Ca -0.12 -2.92 -0.43 0.00 -1.33 0.00 0.00 58.87 54.06 1buj n SER 56 Cb 0.53 -1.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 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 7.15 5.11 -2.68 -3.46 2.85 -1.26 -4.52 115.26 118.45 1buj n ASN 57 Ca 0.48 -3.00 -0.05 0.00 -0.11 0.00 0.00 54.58 51.89 1buj n ASN 57 Cb 0.43 -1.57 0.06 0.00 1.24 0.00 0.00 39.78 39.94 1buj n ASN 57 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1buj n ARG 58 N 5.53 0.61 0.16 1.20 1.85 -1.26 -4.96 116.66 119.80 1buj n ARG 58 Ca 0.39 -1.22 0.00 0.00 -1.00 0.00 0.00 57.85 56.03 1buj n ARG 58 Cb 0.41 -0.18 0.00 0.00 -1.05 0.00 0.00 32.46 31.64 1buj n ARG 58 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1buj n GLU 59 N -0.25 0.00 0.00 2.89 0.00 -1.26 -5.09 120.64 116.93 1buj n GLU 59 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.04 1buj n GLU 59 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.18 1buj n GLU 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1buj n GLY 60 N -0.62 -0.77 0.70 8.31 0.00 -1.26 -5.12 105.19 106.43 1buj n GLY 60 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.19 1.61 1.74 -1.26 -5.12 116.66 109.45 1buj n ARG 61 Ca 0.00 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 1buj n ARG 61 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 1buj n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1buj s LEU 62 N -3.20 3.40 0.00 0.55 1.43 -1.26 -5.02 118.68 114.57 1buj s LEU 62 Ca 0.00 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1buj s LEU 62 Cb 0.00 -2.04 0.05 0.00 0.03 0.00 0.00 46.19 44.23 1buj s LEU 62 CO 0.00 0.08 0.21 -0.81 0.23 0.00 0.00 176.35 176.06 1buj n PRO 63 N -0.23 -0.79 -3.22 1.29 -0.04 -1.26 -4.65 135.00 126.10 1buj n PRO 63 Ca -0.09 -0.33 -0.08 0.00 -0.04 0.00 0.00 63.50 62.96 1buj n PRO 63 Cb 0.55 -0.26 0.02 0.00 -0.04 0.00 0.00 33.50 33.77 1buj n PRO 63 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1buj n SER 64 N -3.23 -7.10 -3.00 3.54 7.64 -1.26 -4.93 113.62 105.27 1buj n SER 64 Ca 0.03 -0.36 -0.32 0.00 1.01 0.00 0.00 58.87 59.23 1buj n SER 64 Cb 0.10 -4.80 -0.01 0.00 -1.01 0.00 0.00 64.21 58.49 1buj n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1buj n ALA 65 N -2.34 5.30 -2.72 -0.43 0.00 -1.26 -4.48 120.51 114.57 1buj n ALA 65 Ca -0.05 -4.54 -0.09 0.00 0.00 0.00 0.00 53.44 48.76 1buj n ALA 65 Cb 0.55 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.91 1buj n ALA 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1buj n SER 66 N -0.29 -0.53 0.00 0.00 2.88 -1.26 -4.94 113.62 109.48 1buj n SER 66 Ca 0.39 -2.70 0.00 0.00 -1.33 0.00 0.00 58.87 55.23 1buj n SER 66 Cb 0.40 0.42 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 1buj n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1buj n GLY 67 N -0.26 2.00 3.83 0.46 0.00 -1.26 -5.07 105.19 104.90 1buj n GLY 67 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.48 3.81 0.37 1.61 3.52 -1.26 -5.07 118.95 121.45 1buj s ARG 68 Ca 0.00 0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.79 1buj s ARG 68 Cb 0.00 -3.24 -0.02 0.00 -1.56 0.00 0.00 34.95 30.12 1buj s ARG 68 CO 0.00 0.65 0.56 0.99 -0.81 0.00 0.00 175.30 176.69 1buj s THR 69 N -0.82 4.76 0.01 4.11 2.01 -1.26 -4.70 115.64 119.75 1buj s THR 69 Ca 0.20 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.70 1buj s THR 69 Cb -0.15 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 1buj s THR 69 CO 0.09 -0.46 -0.12 0.26 -0.69 0.00 0.00 174.62 173.69 1buj s TRP 70 N -2.35 1.06 0.01 4.92 0.52 -1.26 -2.45 118.94 119.39 1buj s TRP 70 Ca 0.42 -0.27 -0.00 0.00 0.02 0.00 0.00 56.10 56.27 1buj s TRP 70 Cb -0.10 -0.66 -0.01 0.00 -1.15 0.00 0.00 33.47 31.56 1buj s TRP 70 CO 0.36 -0.00 -0.01 1.03 0.02 0.00 0.00 176.95 178.35 1buj s ARG 71 N -0.67 0.14 0.31 4.98 0.52 -0.48 -2.17 118.95 121.58 1buj s ARG 71 Ca 0.02 -0.26 0.08 0.00 -0.52 0.00 0.00 55.73 55.06 1buj s ARG 71 Cb -0.06 0.05 -0.03 0.00 0.52 0.00 0.00 34.95 35.43 1buj s ARG 71 CO 0.00 -0.02 0.21 -1.83 0.02 0.00 0.00 175.30 173.68 1buj s GLU 72 N -0.63 2.67 -0.02 3.54 -1.05 0.01 -1.19 118.70 122.03 1buj s GLU 72 Ca -0.07 -1.29 -0.27 0.00 -0.15 0.00 0.00 54.97 53.20 1buj s GLU 72 Cb -0.04 -2.41 0.06 0.00 -0.44 0.00 0.00 34.13 31.30 1buj s GLU 72 CO -0.00 0.21 0.59 0.00 0.95 0.00 0.00 175.26 177.01 1buj s ALA 73 N -2.28 -1.52 0.40 -0.84 0.00 -0.51 -2.30 121.76 114.71 1buj s ALA 73 Ca 0.37 1.00 -0.25 0.00 0.00 0.00 0.00 51.96 53.09 1buj s ALA 73 Cb -0.06 0.11 -0.08 0.00 0.00 0.00 0.00 23.12 23.08 1buj s ALA 73 CO 0.25 -0.39 1.13 -0.51 0.00 0.00 0.00 175.76 176.24 1buj s ASP 74 N -1.39 6.59 0.02 0.00 1.01 -0.37 -0.95 116.67 121.57 1buj s ASP 74 Ca -0.10 2.24 0.07 0.00 0.71 0.00 0.00 52.55 55.47 1buj s ASP 74 Cb -0.01 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1buj s ASP 74 CO 0.06 -0.62 -0.21 -0.63 0.21 0.00 0.00 175.17 173.98 1buj s ILE 75 N -1.50 1.68 -0.19 0.77 -1.09 -0.71 -4.79 121.20 115.38 1buj s ILE 75 Ca 0.58 -1.07 -0.09 0.00 -2.23 0.00 0.00 60.65 57.83 1buj s ILE 75 Cb -0.28 -1.43 0.04 0.00 -1.58 0.00 0.00 42.46 39.21 1buj s ILE 75 CO 0.35 0.33 0.19 0.59 -1.23 0.00 0.00 174.94 175.16 1buj n ASN 76 N 2.17 -2.36 -3.54 3.58 3.02 -1.16 -4.63 115.26 112.34 1buj n ASN 76 Ca -0.16 1.32 -0.28 0.00 -0.03 0.00 0.00 54.58 55.42 1buj n ASN 76 Cb 0.53 -4.90 -0.11 0.00 -0.61 0.00 0.00 39.78 34.68 1buj n ASN 76 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1buj s TYR 77 N -0.79 1.44 -0.17 3.10 1.13 -1.26 -4.90 117.35 115.91 1buj s TYR 77 Ca -0.21 -2.26 -0.06 0.00 -1.41 0.00 0.00 57.07 53.13 1buj s TYR 77 Cb 0.01 -1.32 -0.08 0.00 -1.10 0.00 0.00 41.96 39.48 1buj s TYR 77 CO 0.72 -0.79 -0.20 0.28 -2.51 0.00 0.00 175.55 173.04 1buj n VAL 78 N 3.24 0.95 -2.21 -3.49 0.31 -1.26 -4.98 118.33 110.89 1buj n VAL 78 Ca 0.19 -0.27 -0.34 0.00 -0.01 0.00 0.00 64.34 63.91 1buj n VAL 78 Cb 0.41 -1.56 -0.00 0.00 -0.91 0.00 0.00 33.84 31.77 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 -6.31 5.89 0.00 4.52 1.04 -1.26 -5.06 113.70 112.52 1buj s SER 79 Ca -0.24 1.93 0.00 0.00 0.48 0.00 0.00 55.95 58.12 1buj s SER 79 Cb 0.08 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1buj s SER 79 CO 0.32 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1buj n GLY 80 N -0.52 0.83 3.47 7.32 0.00 -1.26 -5.01 105.19 110.02 1buj n GLY 80 Ca 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.42 -2.11 1.61 3.72 -1.26 -4.66 117.46 112.34 1buj n PHE 81 Ca 0.00 0.64 -0.35 0.00 -0.05 0.00 0.00 57.45 57.68 1buj n PHE 81 Cb 0.00 -1.10 0.02 0.00 -0.94 0.00 0.00 39.48 37.46 1buj n PHE 81 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1buj s ARG 82 N -1.01 3.14 0.44 -1.08 1.81 -1.26 -4.55 118.95 116.45 1buj s ARG 82 Ca 0.00 1.71 -0.23 0.00 -1.72 0.00 0.00 55.73 55.49 1buj s ARG 82 Cb 0.00 -1.97 -0.08 0.00 -0.45 0.00 0.00 34.95 32.45 1buj s ARG 82 CO 0.00 -1.04 1.08 0.54 -0.68 0.00 0.00 175.30 175.20 1buj s ASN 83 N -1.72 6.45 0.28 0.23 4.22 -1.26 -4.93 114.94 118.21 1buj s ASN 83 Ca 0.75 2.09 0.00 0.00 -2.14 0.00 0.00 52.86 53.56 1buj s ASN 83 Cb -0.27 -2.58 0.00 0.00 1.28 0.00 0.00 41.25 39.68 1buj s ASN 83 CO 0.31 -0.71 0.00 0.00 -2.04 0.00 0.00 177.10 174.65 1buj n ALA 84 N -0.45 2.54 -2.05 3.54 0.00 -1.26 -5.05 120.51 117.78 1buj n ALA 84 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1buj n ALA 84 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 1buj n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1buj s ASP 85 N -4.40 6.67 0.09 0.00 1.11 -1.26 -4.53 116.67 114.35 1buj s ASP 85 Ca 0.00 2.15 -0.07 0.00 0.18 0.00 0.00 52.55 54.80 1buj s ASP 85 Cb 0.00 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 1buj s ASP 85 CO 0.00 -0.94 0.17 -0.13 1.18 0.00 0.00 175.17 175.45 1buj s ARG 86 N 4.04 0.84 -0.04 8.23 0.52 -0.36 -1.73 118.95 130.45 1buj s ARG 86 Ca 0.72 -1.02 0.02 0.00 -0.52 0.00 0.00 55.73 54.93 1buj s ARG 86 Cb -0.32 0.33 0.01 0.00 0.52 0.00 0.00 34.95 35.49 1buj s ARG 86 CO 0.28 -0.26 -0.08 -1.17 0.02 0.00 0.00 175.30 174.09 1buj s LEU 87 N -2.88 1.65 -0.12 2.53 0.20 -0.13 -1.45 118.68 118.48 1buj s LEU 87 Ca 0.07 -0.19 0.03 0.00 0.69 0.00 0.00 54.13 54.73 1buj s LEU 87 Cb 0.05 -0.56 0.00 0.00 -0.43 0.00 0.00 46.19 45.25 1buj s LEU 87 CO -0.10 0.03 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.07 1buj s VAL 88 N 0.45 2.09 0.07 1.68 1.01 -0.04 -1.42 120.40 124.24 1buj s VAL 88 Ca -0.07 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 60.97 1buj s VAL 88 Cb -0.11 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1buj s VAL 88 CO 0.01 0.55 -0.15 -0.72 0.00 0.00 0.00 175.10 174.80 1buj s TYR 89 N 0.57 1.26 0.70 5.22 -0.85 -0.33 -1.36 117.35 122.56 1buj s TYR 89 Ca -0.13 -0.45 -0.00 0.00 -0.52 0.00 0.00 57.07 55.97 1buj s TYR 89 Cb -0.17 -0.71 0.12 0.00 0.38 0.00 0.00 41.96 41.58 1buj s TYR 89 CO 0.04 0.07 0.97 -1.54 -1.52 0.00 0.00 175.55 173.56 1buj s SER 90 N -1.69 4.46 0.20 -0.18 1.04 -0.68 -1.38 113.70 115.47 1buj s SER 90 Ca -0.01 -0.34 -0.11 0.00 0.48 0.00 0.00 55.95 55.96 1buj s SER 90 Cb -0.10 -0.09 0.13 0.00 0.10 0.00 0.00 66.02 66.06 1buj s SER 90 CO 0.02 -1.78 1.86 0.28 0.98 0.00 0.00 173.24 174.61 1buj h SER 91 N -0.45 0.79 -0.48 7.02 0.02 -1.84 -1.24 113.55 117.37 1buj h SER 91 Ca -0.37 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1buj h SER 91 Cb 1.27 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1buj h SER 91 CO 0.41 0.58 0.00 -0.90 -1.14 0.00 0.00 176.83 175.78 1buj n ASP 92 N -4.60 3.52 -2.16 3.07 5.75 -1.26 -4.91 116.55 115.95 1buj n ASP 92 Ca 0.06 -2.28 -0.08 0.00 -0.01 0.00 0.00 54.79 52.48 1buj n ASP 92 Cb 0.02 -0.48 0.04 0.00 -1.03 0.00 0.00 41.12 39.68 1buj n ASP 92 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1buj n TRP 93 N 0.80 -1.04 -3.31 2.11 7.02 -0.47 -5.01 117.44 117.55 1buj n TRP 93 Ca 0.19 0.43 -0.39 0.00 -1.02 0.00 0.00 57.50 56.70 1buj n TRP 93 Cb 0.66 -3.39 -0.08 0.00 -2.42 0.00 0.00 31.31 26.08 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 -4.04 4.06 -0.09 -0.99 1.43 -1.26 -4.85 118.68 112.95 1buj s LEU 94 Ca 0.05 0.45 0.04 0.00 -1.03 0.00 0.00 54.13 53.64 1buj s LEU 94 Cb -0.01 -2.56 -0.00 0.00 0.03 0.00 0.00 46.19 43.65 1buj s LEU 94 CO 0.34 -0.22 -0.24 -0.63 0.23 0.00 0.00 176.35 175.83 1buj s ILE 95 N 2.07 2.07 0.02 -0.59 1.01 0.32 -1.69 121.20 124.41 1buj s ILE 95 Ca 0.19 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.82 1buj s ILE 95 Cb -0.16 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 1buj s ILE 95 CO 0.09 0.56 -0.04 -0.31 0.00 0.00 0.00 174.94 175.24 1buj s TYR 96 N 0.23 0.36 0.26 3.97 1.51 -0.46 -2.28 117.35 120.93 1buj s TYR 96 Ca -0.16 -0.46 0.07 0.00 -1.01 0.00 0.00 57.07 55.52 1buj s TYR 96 Cb -0.17 -0.24 -0.04 0.00 -0.11 0.00 0.00 41.96 41.41 1buj s TYR 96 CO 0.08 -0.14 0.18 -1.59 -1.11 0.00 0.00 175.55 172.98 1buj s LYS 97 N -1.31 2.86 -0.22 -0.62 -2.85 -0.22 -0.86 119.74 116.53 1buj s LYS 97 Ca -0.12 -1.10 -0.12 0.00 -1.00 0.00 0.00 55.97 53.63 1buj s LYS 97 Cb -0.09 -2.52 0.07 0.00 -2.06 0.00 0.00 37.83 33.23 1buj s LYS 97 CO -0.00 0.38 0.52 -0.08 0.10 0.00 0.00 175.35 176.27 1buj s THR 98 N -2.16 -0.07 -2.09 3.79 -1.32 -0.53 -2.38 115.64 110.89 1buj s THR 98 Ca 0.33 0.06 0.21 0.00 -1.21 0.00 0.00 61.69 61.08 1buj s THR 98 Cb -0.08 -0.77 0.04 0.00 -1.51 0.00 0.00 72.50 70.18 1buj s THR 98 CO 0.25 0.02 1.06 0.35 -2.21 0.00 0.00 174.62 174.09 1buj n THR 99 N 4.37 0.00 -0.16 5.08 -2.24 -1.26 -1.23 114.28 118.84 1buj n THR 99 Ca -0.21 -0.34 0.03 0.00 -2.27 0.00 0.00 64.05 61.26 1buj n THR 99 Cb 0.56 1.30 0.09 0.00 -2.10 0.00 0.00 70.33 70.18 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 0.29 2.54 -2.98 3.42 5.68 -1.26 -4.61 116.55 119.64 1buj n ASP 100 Ca 0.10 -2.08 -0.08 0.00 -0.50 0.00 0.00 54.79 52.22 1buj n ASP 100 Cb 0.46 -0.15 0.04 0.00 -1.14 0.00 0.00 41.12 40.33 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 -0.04 -2.34 -3.71 2.11 -0.00 -1.26 -3.49 115.22 106.48 1buj n HIS 101 Ca 0.07 0.85 -0.24 0.00 -0.00 0.00 0.00 57.72 58.40 1buj n HIS 101 Cb 0.38 -3.89 0.05 0.00 -0.00 0.00 0.00 29.99 26.53 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 -2.52 -2.31 -0.13 1.57 4.01 -1.26 -4.88 117.16 111.65 1buj n TYR 102 Ca -0.04 0.92 -0.24 0.00 -0.16 0.00 0.00 57.90 58.38 1buj n TYR 102 Cb 0.57 -4.51 -0.08 0.00 -0.31 0.00 0.00 39.34 35.00 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 -4.56 1.13 -2.42 -0.72 0.00 -1.23 -5.07 120.51 107.65 1buj n ALA 103 Ca -0.12 -1.03 -0.21 0.00 0.00 0.00 0.00 53.44 52.08 1buj n ALA 103 Cb 0.60 0.11 -0.09 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.61 0.66 0.05 0.00 -4.23 -1.26 -5.13 115.64 103.11 1buj s THR 104 Ca -0.36 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.14 1buj s THR 104 Cb 0.12 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1buj s THR 104 CO 0.47 0.00 -0.03 -0.36 -0.54 0.00 0.00 174.62 174.16 1buj s PHE 105 N -3.43 0.51 -0.03 3.99 0.08 -1.26 -4.70 117.98 113.14 1buj s PHE 105 Ca 0.32 -1.04 0.01 0.00 0.12 0.00 0.00 56.93 56.34 1buj s PHE 105 Cb 0.06 -0.38 0.02 0.00 -0.57 0.00 0.00 43.02 42.15 1buj s PHE 105 CO 0.16 -0.37 -0.01 0.99 -0.10 0.00 0.00 175.22 175.89 1buj s THR 106 N -3.80 0.23 0.06 0.64 2.01 -1.00 -4.96 115.64 108.81 1buj s THR 106 Ca 0.06 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 1buj s THR 106 Cb 0.07 -0.30 -0.05 0.00 0.01 0.00 0.00 72.50 72.23 1buj s THR 106 CO -0.10 0.15 1.06 -0.60 -0.69 0.00 0.00 174.62 174.44 1buj s ARG 107 N 0.91 4.55 -0.10 4.92 3.52 -1.26 -1.06 118.95 130.43 1buj s ARG 107 Ca -0.09 1.57 0.03 0.00 -0.13 0.00 0.00 55.73 57.10 1buj s ARG 107 Cb -0.13 -3.39 -0.08 0.00 -1.56 0.00 0.00 34.95 29.79 1buj s ARG 107 CO -0.01 -0.05 -0.06 0.44 -0.81 0.00 0.00 175.30 174.81 1buj n ILE 108 N 3.51 0.60 -1.24 4.11 -6.64 -0.97 -4.96 119.36 113.78 1buj n ILE 108 Ca 0.06 -0.27 0.00 0.00 -1.77 0.00 0.00 62.75 60.77 1buj n ILE 108 Cb 0.49 -0.85 0.00 0.00 -1.44 0.00 0.00 39.64 37.84 1buj n ILE 108 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64