#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 4.85 -0.33 0.00 -7.23 -1.26 -5.04 120.40 111.39 1buj s VAL 2 Ca 0.00 0.24 -0.21 0.00 -1.81 0.00 0.00 61.98 60.20 1buj s VAL 2 Cb 0.00 -3.85 -0.00 0.00 0.56 0.00 0.00 36.38 33.09 1buj s VAL 2 CO 0.00 -0.86 0.66 -0.63 -0.31 0.00 0.00 175.10 173.96 1buj s ILE 3 N -2.78 4.89 -0.34 -0.62 -1.09 -1.26 -4.86 121.20 115.14 1buj s ILE 3 Ca 0.48 0.78 0.13 0.00 -2.23 0.00 0.00 60.65 59.81 1buj s ILE 3 Cb -0.10 -4.06 0.41 0.00 -1.58 0.00 0.00 42.46 37.13 1buj s ILE 3 CO 0.46 -0.24 1.50 -0.46 -1.23 0.00 0.00 174.94 174.97 1buj n ASN 4 N 6.02 -1.39 -4.49 3.58 6.94 -1.26 -4.82 115.26 119.84 1buj n ASN 4 Ca -0.00 -2.25 -0.24 0.00 -0.02 0.00 0.00 54.58 52.07 1buj n ASN 4 Cb 0.49 0.68 -0.10 0.00 -2.36 0.00 0.00 39.78 38.48 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 -0.03 1.87 0.09 5.53 -4.23 -1.26 -3.52 115.64 114.09 1buj s THR 5 Ca 0.11 -2.14 -0.21 0.00 -1.18 0.00 0.00 61.69 58.27 1buj s THR 5 Cb 0.44 -2.60 -0.11 0.00 1.34 0.00 0.00 72.50 71.57 1buj s THR 5 CO -0.12 -0.22 1.65 -0.26 -0.54 0.00 0.00 174.62 175.13 1buj h PHE 6 N 2.13 0.18 -0.06 3.99 0.04 -1.98 -0.03 116.94 121.21 1buj h PHE 6 Ca -0.41 -0.01 -0.18 0.00 2.80 0.00 0.00 57.97 60.17 1buj h PHE 6 Cb 1.24 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 1buj h PHE 6 CO 0.71 0.23 -0.75 -0.44 -0.60 0.00 0.00 178.31 177.47 1buj h ASP 7 N 0.07 0.44 0.23 2.17 3.32 -1.99 -2.72 116.42 117.95 1buj h ASP 7 Ca 0.04 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1buj h ASP 7 Cb 0.12 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1buj h ASP 7 CO -0.01 1.04 -0.11 1.23 -1.72 0.00 0.00 179.24 179.67 1buj h GLY 8 N 1.36 -0.33 1.15 2.75 0.00 -1.90 -2.09 103.07 104.02 1buj h GLY 8 Ca -0.03 0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 1buj h GLY 8 CO 0.13 -0.12 0.05 -2.08 0.00 0.00 0.00 176.54 174.52 1buj h VAL 9 N -0.68 1.26 -0.68 4.60 2.07 -1.12 -0.80 116.25 120.90 1buj h VAL 9 Ca -0.03 -1.07 0.12 0.00 0.82 0.00 0.00 66.70 66.54 1buj h VAL 9 Cb 0.48 0.73 -0.09 0.00 -1.52 0.00 0.00 31.29 30.89 1buj h VAL 9 CO 0.05 0.39 0.24 0.00 0.02 0.00 0.00 177.57 178.28 1buj h ALA 10 N 1.09 0.91 -0.29 1.67 0.00 -1.43 0.09 119.26 121.29 1buj h ALA 10 Ca 0.18 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 55.03 1buj h ALA 10 Cb 0.48 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1buj h ALA 10 CO 0.02 -0.22 -0.50 -0.44 0.00 0.00 0.00 179.25 178.10 1buj h ASP 11 N 0.40 0.91 0.02 0.00 5.19 -0.79 -3.15 116.42 118.99 1buj h ASP 11 Ca 0.36 -0.47 -0.06 0.00 -0.62 0.00 0.00 57.03 56.25 1buj h ASP 11 Cb 0.52 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1buj h ASP 11 CO -0.38 1.25 -0.15 0.22 -3.12 0.00 0.00 179.24 177.06 1buj h TYR 12 N 0.65 0.30 0.46 4.55 5.03 0.27 -1.28 116.97 126.95 1buj h TYR 12 Ca 0.03 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 1buj h TYR 12 Cb 1.10 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 39.28 1buj h TYR 12 CO 0.06 0.43 -0.38 -0.07 -1.32 0.00 0.00 178.16 176.88 1buj h LEU 13 N 0.26 -1.01 -1.11 2.82 3.38 -1.00 -0.58 115.31 118.07 1buj h LEU 13 Ca 0.05 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1buj h LEU 13 Cb 0.44 0.33 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 1buj h LEU 13 CO 0.03 -0.55 0.60 0.40 0.09 0.00 0.00 178.44 179.01 1buj h ILE 14 N -0.84 1.17 0.32 1.22 5.03 -1.47 0.37 117.51 123.31 1buj h ILE 14 Ca -0.05 -0.40 -0.02 0.00 -0.12 0.00 0.00 64.86 64.28 1buj h ILE 14 Cb 0.72 -0.10 0.00 0.00 -3.03 0.00 0.00 36.82 34.42 1buj h ILE 14 CO -0.02 0.21 -0.15 -0.09 -0.68 0.00 0.00 178.15 177.42 1buj h ARG 15 N 1.17 -0.41 -0.00 2.37 2.43 -0.94 -3.33 114.38 115.67 1buj h ARG 15 Ca 0.36 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1buj h ARG 15 Cb -0.01 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1buj h ARG 15 CO -0.10 -0.27 -0.43 0.66 -1.51 0.00 0.00 179.97 178.31 1buj n TYR 16 N -3.82 0.00 -2.63 2.20 4.01 -0.25 -4.92 117.16 111.75 1buj n TYR 16 Ca -0.05 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.55 1buj n TYR 16 Cb 0.17 -0.18 0.02 0.00 -0.31 0.00 0.00 39.34 39.04 1buj n TYR 16 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1buj n LYS 17 N -1.10 -2.63 -3.85 -0.72 4.81 0.13 -4.98 118.16 109.81 1buj n LYS 17 Ca 0.08 0.59 -0.02 0.00 -0.87 0.00 0.00 58.31 58.08 1buj n LYS 17 Cb 0.34 -4.76 0.01 0.00 0.02 0.00 0.00 35.03 30.65 1buj n LYS 17 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1buj s ARG 18 N -5.12 1.16 0.92 1.64 1.70 -1.16 -5.04 118.95 113.05 1buj s ARG 18 Ca 0.15 -0.73 -0.11 0.00 -0.47 0.00 0.00 55.73 54.57 1buj s ARG 18 Cb -0.07 0.34 0.14 0.00 -0.57 0.00 0.00 34.95 34.79 1buj s ARG 18 CO 0.18 -0.54 1.09 -0.51 -1.08 0.00 0.00 175.30 174.44 1buj s LEU 19 N -3.34 2.19 0.80 -1.89 1.43 -1.26 -3.59 118.68 113.02 1buj s LEU 19 Ca 0.20 1.54 -0.11 0.00 -1.03 0.00 0.00 54.13 54.73 1buj s LEU 19 Cb -0.02 -3.92 0.07 0.00 0.03 0.00 0.00 46.19 42.35 1buj s LEU 19 CO 0.04 -2.80 1.10 -2.16 0.23 0.00 0.00 176.35 172.76 1buj s PRO 20 N -4.87 2.07 0.00 1.29 0.04 -1.26 -4.97 135.00 127.30 1buj s PRO 20 Ca 0.64 0.64 0.18 0.00 0.04 0.00 0.00 61.00 62.50 1buj s PRO 20 Cb -0.19 -1.92 0.63 0.00 0.04 0.00 0.00 34.50 33.06 1buj s PRO 20 CO 0.58 -1.63 1.47 -3.47 0.04 0.00 0.00 177.00 173.99 1buj n ASP 21 N -3.44 1.81 -0.03 6.66 2.03 -1.26 -2.88 116.55 119.45 1buj n ASP 21 Ca 0.07 -1.79 0.15 0.00 0.52 0.00 0.00 54.79 53.73 1buj n ASP 21 Cb 0.56 -0.15 0.73 0.00 -0.72 0.00 0.00 41.12 41.55 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 0.43 0.12 -4.36 1.67 6.94 -1.26 -4.60 115.26 114.21 1buj n ASN 22 Ca 0.15 -0.32 -0.34 0.00 -0.02 0.00 0.00 54.58 54.05 1buj n ASN 22 Cb 0.33 -0.21 -0.14 0.00 -2.36 0.00 0.00 39.78 37.41 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 -2.50 2.95 0.43 -2.53 2.02 -1.14 -1.37 117.35 115.21 1buj s TYR 23 Ca 0.30 -0.76 0.07 0.00 -0.37 0.00 0.00 57.07 56.31 1buj s TYR 23 Cb 0.20 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.71 1buj s TYR 23 CO 0.46 -0.40 0.37 0.96 -1.57 0.00 0.00 175.55 175.38 1buj s ILE 24 N 1.09 2.50 0.62 2.71 -4.36 -0.83 -4.73 121.20 118.20 1buj s ILE 24 Ca 0.01 -1.39 -0.07 0.00 -0.26 0.00 0.00 60.65 58.94 1buj s ILE 24 Cb -0.15 -2.88 0.01 0.00 1.25 0.00 0.00 42.46 40.69 1buj s ILE 24 CO -0.00 0.00 0.95 0.42 0.24 0.00 0.00 174.94 176.55 1buj s THR 25 N -2.52 3.56 0.17 8.37 -4.23 -1.24 -0.78 115.64 118.96 1buj s THR 25 Ca 0.46 0.11 -0.15 0.00 -1.18 0.00 0.00 61.69 60.93 1buj s THR 25 Cb -0.02 -3.44 0.05 0.00 1.34 0.00 0.00 72.50 70.42 1buj s THR 25 CO 0.27 -0.49 1.78 0.11 -0.54 0.00 0.00 174.62 175.75 1buj h LYS 26 N -0.31 0.41 -0.25 3.99 1.57 -1.96 -2.06 116.57 117.96 1buj h LYS 26 Ca -0.45 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.37 1buj h LYS 26 Cb 1.26 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1buj h LYS 26 CO 0.61 0.27 0.18 0.77 -0.57 0.00 0.00 179.45 180.72 1buj h SER 27 N 0.42 0.04 0.33 0.86 0.02 -1.98 0.72 113.55 113.95 1buj h SER 27 Ca 0.19 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1buj h SER 27 Cb 0.11 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1buj h SER 27 CO -0.14 0.02 -0.16 -0.61 -1.14 0.00 0.00 176.83 174.80 1buj h GLN 28 N 0.04 -0.43 -0.88 3.45 4.15 -1.76 -1.77 115.11 117.91 1buj h GLN 28 Ca 0.12 0.03 0.20 0.00 0.77 0.00 0.00 58.65 59.77 1buj h GLN 28 Cb 0.43 0.10 -0.12 0.00 0.21 0.00 0.00 27.48 28.10 1buj h GLN 28 CO -0.01 -0.18 0.40 0.00 -1.93 0.00 0.00 178.83 177.11 1buj h ALA 29 N -0.86 1.38 -0.57 3.38 0.00 -1.04 -0.73 119.26 120.82 1buj h ALA 29 Ca -0.05 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1buj h ALA 29 Cb 0.45 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1buj h ALA 29 CO 0.08 -0.28 -0.02 0.77 0.00 0.00 0.00 179.25 179.79 1buj h SER 30 N 0.45 0.98 -0.63 0.00 0.02 -0.85 -1.11 113.55 112.40 1buj h SER 30 Ca 0.53 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1buj h SER 30 Cb 0.94 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 1buj h SER 30 CO -0.48 1.05 0.39 0.00 -1.14 0.00 0.00 176.83 176.65 1buj h ALA 31 N 1.05 1.48 0.00 3.77 0.00 -0.23 0.29 119.26 125.62 1buj h ALA 31 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1buj h ALA 31 Cb 0.56 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1buj h ALA 31 CO 0.03 0.45 0.00 -0.07 0.00 0.00 0.00 179.25 179.67 1buj h LEU 32 N 0.88 0.00 0.00 0.00 3.38 -0.43 -3.46 115.31 115.68 1buj h LEU 32 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1buj h LEU 32 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1buj h LEU 32 CO -0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1buj n GLY 33 N 0.63 1.34 3.77 0.83 0.00 0.09 -4.93 105.19 106.93 1buj n GLY 33 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1buj n GLY 33 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1buj n TRP 34 N -0.48 3.01 -0.09 1.61 -0.00 -0.57 -4.91 117.44 116.01 1buj n TRP 34 Ca 0.00 0.40 -0.10 0.00 -0.00 0.00 0.00 57.50 57.81 1buj n TRP 34 Cb 0.00 -2.55 -0.12 0.00 -0.00 0.00 0.00 31.31 28.64 1buj n TRP 34 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1buj n VAL 35 N 0.75 1.12 -2.64 5.87 0.31 -1.26 -4.32 118.33 118.17 1buj n VAL 35 Ca 0.02 -0.62 -0.15 0.00 -0.01 0.00 0.00 64.34 63.58 1buj n VAL 35 Cb 0.39 -0.74 0.02 0.00 -0.91 0.00 0.00 33.84 32.59 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 -2.73 -0.60 0.18 3.52 0.00 -1.26 -4.68 120.51 114.94 1buj n ALA 36 Ca -0.29 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1buj n ALA 36 Cb 0.99 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.92 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 -1.08 -3.18 0.00 0.00 2.88 -1.26 -5.04 113.62 105.93 1buj n SER 37 Ca -0.11 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1buj n SER 37 Cb 0.60 3.07 0.00 0.00 -0.75 0.00 0.00 64.21 67.13 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 -3.23 0.00 -2.21 -1.46 4.01 -1.26 -4.99 118.16 109.02 1buj n LYS 38 Ca 0.00 0.09 -0.34 0.00 -0.51 0.00 0.00 58.31 57.55 1buj n LYS 38 Cb 0.00 -0.47 0.00 0.00 -0.51 0.00 0.00 35.03 34.05 1buj n LYS 38 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1buj s GLY 39 N -2.18 2.50 0.62 0.72 0.00 -1.26 -5.04 107.32 102.67 1buj s GLY 39 Ca 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 44.72 45.39 1buj s GLY 39 CO 0.00 1.06 0.89 0.54 0.00 0.00 0.00 173.10 175.59 1buj s ASN 40 N -2.02 5.19 -0.02 1.64 4.22 -1.26 -4.18 114.94 118.52 1buj s ASN 40 Ca 0.70 0.36 -0.21 0.00 -2.14 0.00 0.00 52.86 51.57 1buj s ASN 40 Cb -0.21 -1.20 -0.13 0.00 1.28 0.00 0.00 41.25 40.98 1buj s ASN 40 CO 0.29 -1.28 0.93 0.25 -2.04 0.00 0.00 177.10 175.24 1buj h LEU 41 N -0.24 -0.43 -2.43 3.54 5.85 -1.89 -3.19 115.31 116.52 1buj h LEU 41 Ca -0.44 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.18 1buj h LEU 41 Cb 1.29 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 1buj h LEU 41 CO 0.58 0.00 0.07 0.00 -0.34 0.00 0.00 178.44 178.75 1buj h ALA 42 N -0.73 1.56 -0.23 1.25 0.00 -1.84 0.98 119.26 120.25 1buj h ALA 42 Ca -0.05 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1buj h ALA 42 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1buj h ALA 42 CO 0.09 -0.10 0.08 1.49 0.00 0.00 0.00 179.25 180.81 1buj h GLU 43 N 0.00 0.18 0.05 0.00 4.81 -1.96 -3.14 114.58 114.52 1buj h GLU 43 Ca 0.03 -0.01 -0.37 0.00 -0.13 0.00 0.00 59.36 58.88 1buj h GLU 43 Cb 0.16 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1buj h GLU 43 CO -0.00 0.12 -2.11 0.28 -0.73 0.00 0.00 179.01 176.58 1buj n VAL 44 N -5.04 1.62 -3.52 0.32 0.31 0.16 -4.75 118.33 107.43 1buj n VAL 44 Ca -0.02 -0.49 -0.28 0.00 -0.01 0.00 0.00 64.34 63.54 1buj n VAL 44 Cb 0.08 -1.71 -0.12 0.00 -0.91 0.00 0.00 33.84 31.18 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 -2.51 1.47 0.91 3.52 0.00 -0.18 -4.97 121.76 120.01 1buj s ALA 45 Ca -0.30 -2.29 -0.12 0.00 0.00 0.00 0.00 51.96 49.25 1buj s ALA 45 Cb 0.08 -1.69 0.14 0.00 0.00 0.00 0.00 23.12 21.65 1buj s ALA 45 CO 0.65 -2.06 1.14 -1.25 0.00 0.00 0.00 175.76 174.23 1buj s PRO 46 N 0.50 1.14 0.00 0.00 0.04 -1.18 -4.33 135.00 131.17 1buj s PRO 46 Ca 0.22 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1buj s PRO 46 Cb -0.15 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1buj s PRO 46 CO -0.06 -2.20 0.00 0.41 0.04 0.00 0.00 177.00 175.19 1buj n GLY 47 N -2.22 0.54 3.53 0.56 0.00 -1.26 -4.94 105.19 101.40 1buj n GLY 47 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.83 1.40 0.47 1.61 0.00 -1.26 -5.04 119.74 116.09 1buj s LYS 48 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 55.97 55.15 1buj s LYS 48 Cb 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 37.83 38.32 1buj s LYS 48 CO 0.00 -0.59 0.07 -1.12 0.00 0.00 0.00 175.35 173.71 1buj s SER 49 N -2.87 4.14 0.42 0.03 0.01 -0.47 -4.93 113.70 110.03 1buj s SER 49 Ca 0.09 -1.43 -0.22 0.00 1.31 0.00 0.00 55.95 55.70 1buj s SER 49 Cb -0.01 0.05 -0.10 0.00 0.21 0.00 0.00 66.02 66.17 1buj s SER 49 CO -0.02 -0.70 0.99 -0.63 0.41 0.00 0.00 173.24 173.29 1buj s ILE 50 N -2.77 4.11 0.00 1.44 -1.09 -1.26 -1.97 121.20 119.66 1buj s ILE 50 Ca 0.23 1.42 0.00 0.00 -2.23 0.00 0.00 60.65 60.07 1buj s ILE 50 Cb 0.04 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1buj s ILE 50 CO 0.13 -0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.26 1buj n GLY 51 N -0.22 0.75 1.32 6.18 0.00 0.04 -2.20 105.19 111.07 1buj n GLY 51 Ca 0.07 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.21 0.65 3.97 -0.02 0.00 -0.63 -3.61 105.19 105.35 1buj n GLY 52 Ca 0.00 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.13 6.02 0.33 1.61 1.11 -1.20 -4.91 116.67 117.50 1buj s ASP 53 Ca 0.00 0.07 -0.25 0.00 0.18 0.00 0.00 52.55 52.55 1buj s ASP 53 Cb 0.00 -1.51 -0.10 0.00 1.07 0.00 0.00 42.92 42.38 1buj s ASP 53 CO 0.00 -0.45 0.93 -0.69 1.18 0.00 0.00 175.17 176.15 1buj s VAL 54 N -2.28 4.26 0.08 -1.27 1.01 -1.26 -0.74 120.40 120.20 1buj s VAL 54 Ca 0.44 1.74 -0.06 0.00 0.00 0.00 0.00 61.98 64.09 1buj s VAL 54 Cb -0.10 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1buj s VAL 54 CO 0.33 0.07 0.34 0.12 0.00 0.00 0.00 175.10 175.97 1buj s PHE 55 N -1.70 3.54 -1.25 5.22 5.36 -1.09 -4.67 117.98 123.38 1buj s PHE 55 Ca 0.52 0.60 -0.20 0.00 -0.96 0.00 0.00 56.93 56.89 1buj s PHE 55 Cb -0.17 -2.03 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 1buj s PHE 55 CO 0.22 0.52 1.82 -1.54 -1.46 0.00 0.00 175.22 174.78 1buj s SER 56 N -2.05 6.08 0.11 6.13 1.04 -1.26 -4.65 113.70 119.10 1buj s SER 56 Ca 0.35 -2.13 -0.07 0.00 0.48 0.00 0.00 55.95 54.58 1buj s SER 56 Cb -0.13 -2.58 -0.15 0.00 0.10 0.00 0.00 66.02 63.26 1buj s SER 56 CO 0.21 -1.97 1.26 -1.13 0.98 0.00 0.00 173.24 172.58 1buj h ASN 57 N 8.45 0.60 -2.48 7.02 -0.73 -1.93 -3.34 115.58 123.18 1buj h ASN 57 Ca 0.35 -0.50 -0.53 0.00 1.87 0.00 0.00 56.30 57.49 1buj h ASN 57 Cb 0.90 -0.19 0.02 0.00 0.27 0.00 0.00 38.32 39.32 1buj h ASN 57 CO 1.36 1.31 1.16 -0.13 -0.37 0.00 0.00 177.43 180.76 1buj s ARG 58 N -3.19 4.15 -1.39 6.67 0.52 -1.26 -0.79 118.95 123.65 1buj s ARG 58 Ca -0.06 2.53 -0.10 0.00 -0.52 0.00 0.00 55.73 57.57 1buj s ARG 58 Cb 0.08 -3.91 0.08 0.00 0.52 0.00 0.00 34.95 31.72 1buj s ARG 58 CO 0.88 -0.89 0.62 0.39 0.02 0.00 0.00 175.30 176.32 1buj n GLU 59 N 6.73 -3.91 0.00 3.54 4.71 -1.26 -4.91 120.64 125.54 1buj n GLU 59 Ca 0.18 0.53 0.00 0.00 -0.01 0.00 0.00 57.16 57.87 1buj n GLU 59 Cb 0.40 -5.29 0.00 0.00 -1.01 0.00 0.00 31.44 25.54 1buj n GLU 59 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1buj n GLY 60 N -1.32 0.28 0.55 0.62 0.00 0.03 -5.08 105.19 100.27 1buj n GLY 60 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.88 1.61 5.12 -1.26 -5.07 116.66 114.19 1buj n ARG 61 Ca 0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 1buj n ARG 61 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 1buj n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1buj s LEU 62 N -3.61 3.83 0.00 0.55 1.43 -1.26 -5.08 118.68 114.54 1buj s LEU 62 Ca 0.00 1.08 -0.18 0.00 -1.03 0.00 0.00 54.13 54.00 1buj s LEU 62 Cb 0.00 -3.96 0.26 0.00 0.03 0.00 0.00 46.19 42.52 1buj s LEU 62 CO 0.00 -0.40 1.17 -0.81 0.23 0.00 0.00 176.35 176.54 1buj n PRO 63 N -1.35 -2.15 -3.15 1.29 -0.04 -1.26 -4.94 135.00 123.39 1buj n PRO 63 Ca 0.02 -1.84 0.04 0.00 -0.04 0.00 0.00 63.50 61.68 1buj n PRO 63 Cb 0.54 -1.45 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 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 -5.03 -1.39 0.84 3.54 1.04 -1.26 -5.02 113.70 106.41 1buj s SER 64 Ca 0.71 0.76 -0.12 0.00 0.48 0.00 0.00 55.95 57.78 1buj s SER 64 Cb -0.04 2.12 0.10 0.00 0.10 0.00 0.00 66.02 68.30 1buj s SER 64 CO 0.52 -0.26 1.14 0.00 0.98 0.00 0.00 173.24 175.62 1buj s ALA 65 N 2.86 2.27 -0.18 5.32 0.00 -1.26 -4.92 121.76 125.84 1buj s ALA 65 Ca 0.19 -0.52 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 1buj s ALA 65 Cb -0.14 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 1buj s ALA 65 CO -0.21 -1.88 2.08 0.45 0.00 0.00 0.00 175.76 176.20 1buj s SER 66 N -4.25 5.76 0.00 0.00 0.15 -1.26 -1.17 113.70 112.93 1buj s SER 66 Ca 0.62 1.96 0.00 0.00 0.70 0.00 0.00 55.95 59.23 1buj s SER 66 Cb -0.13 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1buj s SER 66 CO 0.52 -1.70 0.00 0.61 1.20 0.00 0.00 173.24 173.86 1buj n GLY 67 N 5.40 0.37 3.69 9.45 0.00 -1.26 -5.06 105.19 117.78 1buj n GLY 67 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.77 4.36 0.23 1.61 3.52 -0.32 -4.94 118.95 122.63 1buj s ARG 68 Ca 0.00 1.00 0.10 0.00 -0.13 0.00 0.00 55.73 56.70 1buj s ARG 68 Cb 0.00 -3.53 -0.05 0.00 -1.56 0.00 0.00 34.95 29.81 1buj s ARG 68 CO 0.00 -0.19 -0.18 0.99 -0.81 0.00 0.00 175.30 175.11 1buj s THR 69 N 1.66 2.07 0.08 4.11 2.01 -1.26 -4.67 115.64 119.64 1buj s THR 69 Ca 0.39 -2.24 0.10 0.00 0.31 0.00 0.00 61.69 60.25 1buj s THR 69 Cb -0.17 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 1buj s THR 69 CO 0.15 -0.46 -0.25 0.26 -0.69 0.00 0.00 174.62 173.64 1buj s TRP 70 N -2.60 2.37 0.04 4.92 0.52 -1.26 0.01 118.94 122.93 1buj s TRP 70 Ca 0.24 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 56.02 1buj s TRP 70 Cb -0.03 -1.34 -0.02 0.00 -1.15 0.00 0.00 33.47 30.92 1buj s TRP 70 CO 0.10 0.25 -0.08 1.03 0.02 0.00 0.00 176.95 178.27 1buj s ARG 71 N -1.67 0.53 0.26 4.98 0.52 -0.55 -2.66 118.95 120.35 1buj s ARG 71 Ca 0.14 -0.73 0.10 0.00 -0.52 0.00 0.00 55.73 54.72 1buj s ARG 71 Cb -0.10 -0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.02 1buj s ARG 71 CO 0.05 0.05 -0.07 -1.83 0.02 0.00 0.00 175.30 173.52 1buj s GLU 72 N -1.51 2.08 -0.02 3.54 -1.05 0.08 -1.52 118.70 120.30 1buj s GLU 72 Ca -0.09 -1.50 -0.23 0.00 -0.15 0.00 0.00 54.97 53.00 1buj s GLU 72 Cb -0.10 -2.05 0.05 0.00 -0.44 0.00 0.00 34.13 31.59 1buj s GLU 72 CO 0.00 0.36 0.50 0.00 0.95 0.00 0.00 175.26 177.08 1buj s ALA 73 N -2.29 -1.29 0.31 -0.84 0.00 -0.54 -1.60 121.76 115.52 1buj s ALA 73 Ca 0.30 0.78 -0.27 0.00 0.00 0.00 0.00 51.96 52.77 1buj s ALA 73 Cb -0.06 0.10 -0.10 0.00 0.00 0.00 0.00 23.12 23.07 1buj s ALA 73 CO 0.18 -0.35 0.98 -0.51 0.00 0.00 0.00 175.76 176.05 1buj s ASP 74 N -1.40 7.31 -0.09 0.00 1.01 -0.93 -0.87 116.67 121.69 1buj s ASP 74 Ca -0.11 1.94 0.04 0.00 0.71 0.00 0.00 52.55 55.12 1buj s ASP 74 Cb -0.02 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1buj s ASP 74 CO 0.05 -0.09 -0.20 -0.63 0.21 0.00 0.00 175.17 174.51 1buj s ILE 75 N -1.49 1.77 -0.42 0.77 -1.09 -0.83 -4.78 121.20 115.12 1buj s ILE 75 Ca 0.49 -0.85 -0.24 0.00 -2.23 0.00 0.00 60.65 57.82 1buj s ILE 75 Cb -0.22 -1.54 0.03 0.00 -1.58 0.00 0.00 42.46 39.15 1buj s ILE 75 CO 0.28 0.49 0.59 0.59 -1.23 0.00 0.00 174.94 175.66 1buj n ASN 76 N 3.59 -7.01 -3.11 3.58 5.03 -1.23 -4.64 115.26 111.47 1buj n ASN 76 Ca -0.20 0.30 -0.06 0.00 0.87 0.00 0.00 54.58 55.50 1buj n ASN 76 Cb 0.53 -3.90 -0.02 0.00 -1.02 0.00 0.00 39.78 35.36 1buj n ASN 76 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1buj s TYR 77 N -2.11 -1.24 -0.16 3.10 5.04 -1.26 -4.91 117.35 115.81 1buj s TYR 77 Ca 0.29 -0.39 -0.02 0.00 -2.44 0.00 0.00 57.07 54.51 1buj s TYR 77 Cb -0.05 0.10 -0.09 0.00 0.35 0.00 0.00 41.96 42.26 1buj s TYR 77 CO 0.79 -1.15 -0.17 0.28 -1.34 0.00 0.00 175.55 173.97 1buj n VAL 78 N 3.80 0.92 -0.80 3.14 0.31 -1.26 -4.73 118.33 119.72 1buj n VAL 78 Ca 0.15 -0.31 -0.31 0.00 -0.01 0.00 0.00 64.34 63.86 1buj n VAL 78 Cb 0.54 -1.30 0.27 0.00 -0.91 0.00 0.00 33.84 32.43 1buj n VAL 78 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1buj s SER 79 N -5.90 -0.14 0.00 4.52 0.15 -1.26 -4.68 113.70 106.39 1buj s SER 79 Ca -0.22 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1buj s SER 79 Cb 0.07 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 63.55 1buj s SER 79 CO 0.34 -4.77 0.00 0.61 1.20 0.00 0.00 173.24 170.62 1buj n GLY 80 N -0.03 0.41 2.82 9.45 0.00 -1.26 -4.85 105.19 111.73 1buj n GLY 80 Ca 0.14 -0.85 0.06 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.27 -3.32 1.61 3.72 -1.26 -4.73 117.46 111.21 1buj n PHE 81 Ca 0.00 0.51 -0.33 0.00 -0.05 0.00 0.00 57.45 57.58 1buj n PHE 81 Cb 0.00 -0.91 -0.06 0.00 -0.94 0.00 0.00 39.48 37.58 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 -1.00 3.92 0.52 -1.08 1.81 -1.26 -4.72 118.95 117.13 1buj s ARG 82 Ca 0.00 0.45 -0.22 0.00 -1.72 0.00 0.00 55.73 54.25 1buj s ARG 82 Cb 0.00 -2.67 -0.06 0.00 -0.45 0.00 0.00 34.95 31.77 1buj s ARG 82 CO 0.00 0.32 1.25 0.54 -0.68 0.00 0.00 175.30 176.73 1buj s ASN 83 N -2.15 5.64 0.05 0.23 2.20 -1.26 -4.92 114.94 114.73 1buj s ASN 83 Ca 0.47 2.49 0.00 0.00 -0.94 0.00 0.00 52.86 54.88 1buj s ASN 83 Cb -0.12 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.51 1buj s ASN 83 CO 0.20 -1.29 0.00 0.00 -2.94 0.00 0.00 177.10 173.07 1buj n ALA 84 N -0.90 3.00 -1.93 3.54 0.00 -1.26 -5.02 120.51 117.94 1buj n ALA 84 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 1buj n ALA 84 Cb 0.47 0.12 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 -5.06 6.21 0.04 0.00 1.11 -1.26 -4.44 116.67 113.28 1buj s ASP 85 Ca 0.00 1.88 -0.02 0.00 0.18 0.00 0.00 52.55 54.59 1buj s ASP 85 Cb 0.00 -2.53 -0.03 0.00 1.07 0.00 0.00 42.92 41.43 1buj s ASP 85 CO 0.00 -1.35 -0.01 -0.13 1.18 0.00 0.00 175.17 174.86 1buj s ARG 86 N 4.96 0.55 -0.07 8.23 0.52 -0.53 -1.97 118.95 130.64 1buj s ARG 86 Ca 0.80 -1.02 0.05 0.00 -0.52 0.00 0.00 55.73 55.03 1buj s ARG 86 Cb -0.30 0.20 -0.01 0.00 0.52 0.00 0.00 34.95 35.35 1buj s ARG 86 CO 0.33 -0.11 -0.21 -1.17 0.02 0.00 0.00 175.30 174.15 1buj s LEU 87 N -2.51 2.28 -0.08 2.53 0.20 -0.05 -1.47 118.68 119.57 1buj s LEU 87 Ca 0.01 -0.43 0.03 0.00 0.69 0.00 0.00 54.13 54.43 1buj s LEU 87 Cb 0.03 -1.44 0.01 0.00 -0.43 0.00 0.00 46.19 44.35 1buj s LEU 87 CO -0.08 0.25 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.36 1buj s VAL 88 N -0.15 1.61 0.05 1.68 1.01 -0.04 -1.47 120.40 123.08 1buj s VAL 88 Ca -0.03 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1buj s VAL 88 Cb -0.14 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1buj s VAL 88 CO 0.04 0.46 -0.14 -0.72 0.00 0.00 0.00 175.10 174.74 1buj s TYR 89 N 0.47 1.22 0.67 5.22 1.13 -0.58 -1.35 117.35 124.13 1buj s TYR 89 Ca -0.16 -0.39 -0.03 0.00 -1.41 0.00 0.00 57.07 55.09 1buj s TYR 89 Cb -0.17 -0.71 0.08 0.00 -1.10 0.00 0.00 41.96 40.06 1buj s TYR 89 CO 0.06 0.04 0.94 -1.54 -2.51 0.00 0.00 175.55 172.55 1buj s SER 90 N -1.33 4.73 0.18 -0.18 1.04 -0.81 -1.48 113.70 115.84 1buj s SER 90 Ca 0.00 0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.32 1buj s SER 90 Cb -0.09 -0.63 0.14 0.00 0.10 0.00 0.00 66.02 65.55 1buj s SER 90 CO 0.02 -1.59 1.78 0.28 0.98 0.00 0.00 173.24 174.71 1buj h SER 91 N -0.40 0.36 -0.46 7.02 0.02 -0.78 -1.44 113.55 117.87 1buj h SER 91 Ca -0.41 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 1buj h SER 91 Cb 1.29 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1buj h SER 91 CO 0.50 0.25 0.03 -0.90 -1.14 0.00 0.00 176.83 175.56 1buj n ASP 92 N -4.89 4.61 -2.38 3.07 5.75 -1.26 -4.90 116.55 116.56 1buj n ASP 92 Ca 0.05 -2.75 -0.09 0.00 -0.01 0.00 0.00 54.79 51.99 1buj n ASP 92 Cb 0.14 -0.65 0.04 0.00 -1.03 0.00 0.00 41.12 39.62 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 0.42 -1.25 -3.77 2.11 7.02 -0.54 -5.01 117.44 116.40 1buj n TRP 93 Ca 0.23 0.49 -0.36 0.00 -1.02 0.00 0.00 57.50 56.83 1buj n TRP 93 Cb 1.01 -3.53 -0.11 0.00 -2.42 0.00 0.00 31.31 26.26 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 -4.32 3.68 -0.12 -0.99 1.43 -1.26 -4.87 118.68 112.22 1buj s LEU 94 Ca 0.12 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1buj s LEU 94 Cb -0.02 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1buj s LEU 94 CO 0.40 0.01 -0.08 -0.63 0.23 0.00 0.00 176.35 176.27 1buj s ILE 95 N 1.36 3.50 0.03 -0.59 1.01 -1.26 -1.93 121.20 123.31 1buj s ILE 95 Ca 0.06 -0.52 -0.00 0.00 0.00 0.00 0.00 60.65 60.19 1buj s ILE 95 Cb -0.15 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1buj s ILE 95 CO 0.05 0.53 -0.03 -0.31 0.00 0.00 0.00 174.94 175.18 1buj s TYR 96 N 0.02 0.34 0.26 3.97 1.51 -0.46 -2.71 117.35 120.28 1buj s TYR 96 Ca -0.02 -0.70 0.11 0.00 -1.01 0.00 0.00 57.07 55.46 1buj s TYR 96 Cb -0.14 -0.25 -0.05 0.00 -0.11 0.00 0.00 41.96 41.41 1buj s TYR 96 CO 0.03 -0.25 -0.14 -1.59 -1.11 0.00 0.00 175.55 172.49 1buj s LYS 97 N -2.23 1.86 -0.09 -0.62 -2.85 -0.39 -0.86 119.74 114.56 1buj s LYS 97 Ca -0.09 -1.61 -0.14 0.00 -1.00 0.00 0.00 55.97 53.13 1buj s LYS 97 Cb -0.04 -1.92 0.03 0.00 -2.06 0.00 0.00 37.83 33.84 1buj s LYS 97 CO -0.04 0.36 0.36 -0.08 0.10 0.00 0.00 175.35 176.04 1buj s THR 98 N -2.30 0.02 0.00 3.79 -1.32 -0.54 -1.96 115.64 113.32 1buj s THR 98 Ca 0.29 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 1buj s THR 98 Cb -0.06 -0.58 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 1buj s THR 98 CO 0.16 -0.11 0.81 0.35 -2.21 0.00 0.00 174.62 173.62 1buj n THR 99 N 2.15 0.64 -1.53 5.08 -2.24 -1.26 -1.46 114.28 115.66 1buj n THR 99 Ca -0.17 -0.66 -0.02 0.00 -2.27 0.00 0.00 64.05 60.94 1buj n THR 99 Cb 0.57 0.71 0.20 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.32 2.30 -2.47 3.42 5.68 -1.26 -4.69 116.55 119.21 1buj n ASP 100 Ca 0.00 -3.84 -0.10 0.00 -0.50 0.00 0.00 54.79 50.35 1buj n ASP 100 Cb 0.31 -0.59 0.05 0.00 -1.14 0.00 0.00 41.12 39.75 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 -1.11 -1.33 -3.79 2.11 -0.00 -1.26 -2.72 115.22 107.11 1buj n HIS 101 Ca 0.29 0.56 -0.22 0.00 -0.00 0.00 0.00 57.72 58.35 1buj n HIS 101 Cb 0.91 -3.80 -0.00 0.00 -0.00 0.00 0.00 29.99 27.09 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 -2.83 -0.66 -0.12 1.57 4.11 -1.26 -4.81 117.16 113.16 1buj n TYR 102 Ca -0.16 0.09 -0.23 0.00 -0.00 0.00 0.00 57.90 57.60 1buj n TYR 102 Cb 0.60 -1.36 -0.11 0.00 -0.00 0.00 0.00 39.34 38.46 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 -2.94 1.23 -2.29 -3.48 0.00 -1.10 -4.96 120.51 106.96 1buj n ALA 103 Ca -0.08 -0.99 -0.15 0.00 0.00 0.00 0.00 53.44 52.21 1buj n ALA 103 Cb 0.29 -0.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.52 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 0.47 0.04 0.00 -4.23 -1.26 -5.03 115.64 103.13 1buj s THR 104 Ca -0.35 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.16 1buj s THR 104 Cb 0.11 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 1buj s THR 104 CO 0.58 -0.03 -0.03 -0.36 -0.54 0.00 0.00 174.62 174.24 1buj s PHE 105 N -3.82 0.45 -0.03 3.99 0.40 -1.26 -4.65 117.98 113.06 1buj s PHE 105 Ca 0.37 -0.93 0.02 0.00 -0.60 0.00 0.00 56.93 55.79 1buj s PHE 105 Cb 0.08 -0.34 0.01 0.00 0.51 0.00 0.00 43.02 43.28 1buj s PHE 105 CO 0.13 -0.34 -0.07 0.99 0.70 0.00 0.00 175.22 176.63 1buj s THR 106 N -3.34 0.66 0.03 0.64 2.01 -0.83 -4.95 115.64 109.86 1buj s THR 106 Ca 0.02 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.44 1buj s THR 106 Cb 0.04 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1buj s THR 106 CO -0.08 0.22 1.08 -0.60 -0.69 0.00 0.00 174.62 174.55 1buj s ARG 107 N 0.40 4.51 -0.21 4.92 3.52 -1.26 -1.26 118.95 129.56 1buj s ARG 107 Ca -0.06 1.58 0.02 0.00 -0.13 0.00 0.00 55.73 57.14 1buj s ARG 107 Cb -0.10 -3.40 -0.14 0.00 -1.56 0.00 0.00 34.95 29.75 1buj s ARG 107 CO 0.00 -0.13 -0.18 0.44 -0.81 0.00 0.00 175.30 174.62 1buj n ILE 108 N 3.84 1.22 0.00 4.11 -6.64 -1.10 -4.97 119.36 115.82 1buj n ILE 108 Ca 0.07 -0.47 0.00 0.00 -1.77 0.00 0.00 62.75 60.58 1buj n ILE 108 Cb 0.49 -1.24 0.00 0.00 -1.44 0.00 0.00 39.64 37.45 1buj n ILE 108 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64