#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 0.02 -0.42 0.00 0.11 -1.26 -5.12 120.40 113.73 1buj s VAL 2 Ca 0.00 -0.20 -0.22 0.00 -2.93 0.00 0.00 61.98 58.63 1buj s VAL 2 Cb 0.00 -0.74 0.02 0.00 -1.53 0.00 0.00 36.38 34.13 1buj s VAL 2 CO 0.00 -0.11 0.71 -0.63 -3.33 0.00 0.00 175.10 171.74 1buj s ILE 3 N -0.82 4.75 -0.33 7.04 1.01 -1.26 -4.82 121.20 126.78 1buj s ILE 3 Ca -0.09 0.38 0.13 0.00 0.00 0.00 0.00 60.65 61.08 1buj s ILE 3 Cb -0.03 -4.24 0.41 0.00 0.01 0.00 0.00 42.46 38.61 1buj s ILE 3 CO 0.05 -0.59 1.51 -0.46 0.00 0.00 0.00 174.94 175.45 1buj n ASN 4 N 6.44 -1.30 -4.52 3.58 6.94 -1.26 -4.84 115.26 120.30 1buj n ASN 4 Ca 0.01 -2.20 -0.24 0.00 -0.02 0.00 0.00 54.58 52.12 1buj n ASN 4 Cb 0.48 0.62 -0.11 0.00 -2.36 0.00 0.00 39.78 38.42 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 -0.07 1.87 0.09 5.53 -4.23 -1.26 -1.53 115.64 116.04 1buj s THR 5 Ca 0.10 -2.11 -0.22 0.00 -1.18 0.00 0.00 61.69 58.28 1buj s THR 5 Cb 0.43 -2.69 -0.14 0.00 1.34 0.00 0.00 72.50 71.44 1buj s THR 5 CO -0.12 -0.16 1.73 -0.26 -0.54 0.00 0.00 174.62 175.27 1buj h PHE 6 N 2.05 0.05 -0.25 3.99 0.04 -1.98 -0.31 116.94 120.52 1buj h PHE 6 Ca -0.42 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.16 1buj h PHE 6 Cb 1.24 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.38 1buj h PHE 6 CO 0.71 0.05 -0.60 -0.44 -0.60 0.00 0.00 178.31 177.44 1buj h ASP 7 N 0.03 0.94 0.07 2.17 5.19 -1.98 -2.17 116.42 120.67 1buj h ASP 7 Ca 0.01 -0.53 -0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1buj h ASP 7 Cb 0.02 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.26 1buj h ASP 7 CO -0.00 1.32 -0.03 1.23 -3.12 0.00 0.00 179.24 178.64 1buj h GLY 8 N 0.70 -0.10 1.07 2.75 0.00 -1.93 -1.17 103.07 104.40 1buj h GLY 8 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 1buj h GLY 8 CO 0.13 -0.03 0.02 -2.08 0.00 0.00 0.00 176.54 174.58 1buj h VAL 9 N -0.37 1.26 -0.75 4.60 2.07 -1.14 -2.10 116.25 119.82 1buj h VAL 9 Ca -0.01 -1.12 0.09 0.00 0.82 0.00 0.00 66.70 66.49 1buj h VAL 9 Cb 0.33 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 1buj h VAL 9 CO 0.02 0.41 0.40 0.00 0.02 0.00 0.00 177.57 178.41 1buj h ALA 10 N 1.00 1.05 -0.56 1.67 0.00 -1.23 0.15 119.26 121.33 1buj h ALA 10 Ca 0.18 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1buj h ALA 10 Cb 0.53 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1buj h ALA 10 CO 0.03 0.00 -0.06 -0.44 0.00 0.00 0.00 179.25 178.77 1buj h ASP 11 N 0.67 1.02 0.13 0.00 5.19 -0.82 -2.72 116.42 119.89 1buj h ASP 11 Ca 0.37 -0.32 -0.13 0.00 -0.62 0.00 0.00 57.03 56.33 1buj h ASP 11 Cb 0.37 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1buj h ASP 11 CO -0.26 1.11 -0.46 0.22 -3.12 0.00 0.00 179.24 176.72 1buj h TYR 12 N 0.93 0.49 0.53 4.55 5.03 -0.53 -0.88 116.97 127.09 1buj h TYR 12 Ca 0.15 -0.15 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 1buj h TYR 12 Cb 0.62 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.79 1buj h TYR 12 CO 0.04 0.79 -0.42 -0.07 -1.32 0.00 0.00 178.16 177.19 1buj h LEU 13 N 0.32 -1.10 -0.79 2.82 3.38 -0.91 -0.63 115.31 118.41 1buj h LEU 13 Ca 0.02 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.18 1buj h LEU 13 Cb 0.94 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 41.96 1buj h LEU 13 CO 0.08 -0.60 0.42 0.40 0.09 0.00 0.00 178.44 178.82 1buj h ILE 14 N -0.93 0.84 0.18 1.22 1.08 -1.15 0.40 117.51 119.16 1buj h ILE 14 Ca -0.06 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1buj h ILE 14 Cb 0.79 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 1buj h ILE 14 CO 0.00 0.12 -0.09 -0.09 -0.69 0.00 0.00 178.15 177.41 1buj h ARG 15 N 0.68 -0.24 -0.01 2.37 2.43 -1.02 -3.36 114.38 115.24 1buj h ARG 15 Ca 0.39 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1buj h ARG 15 Cb 0.43 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1buj h ARG 15 CO -0.28 -0.16 -0.38 0.66 -1.51 0.00 0.00 179.97 178.30 1buj n TYR 16 N -3.27 0.00 -3.45 2.20 4.01 -0.26 -4.93 117.16 111.47 1buj n TYR 16 Ca -0.03 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.50 1buj n TYR 16 Cb 0.10 -0.12 0.07 0.00 -0.31 0.00 0.00 39.34 39.07 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 -0.79 -6.96 -3.83 -0.72 5.02 0.14 -4.98 118.16 106.04 1buj n LYS 17 Ca 0.10 0.73 -0.05 0.00 -2.02 0.00 0.00 58.31 57.07 1buj n LYS 17 Cb 0.36 -5.47 0.01 0.00 -0.02 0.00 0.00 35.03 29.91 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 -6.11 1.54 0.82 1.97 1.70 -1.23 -5.05 118.95 112.59 1buj s ARG 18 Ca 0.49 -0.95 -0.11 0.00 -0.47 0.00 0.00 55.73 54.69 1buj s ARG 18 Cb -0.22 0.46 0.08 0.00 -0.57 0.00 0.00 34.95 34.71 1buj s ARG 18 CO 0.64 -0.72 1.09 -0.51 -1.08 0.00 0.00 175.30 174.72 1buj s LEU 19 N -3.17 2.67 0.84 -1.89 1.43 -1.26 -3.41 118.68 113.88 1buj s LEU 19 Ca 0.17 1.60 -0.12 0.00 -1.03 0.00 0.00 54.13 54.75 1buj s LEU 19 Cb -0.03 -4.19 0.10 0.00 0.03 0.00 0.00 46.19 42.10 1buj s LEU 19 CO 0.06 -2.22 1.11 -2.16 0.23 0.00 0.00 176.35 173.37 1buj s PRO 20 N -4.96 1.72 0.00 1.29 0.04 -1.26 -4.96 135.00 126.86 1buj s PRO 20 Ca 0.62 0.50 0.26 0.00 0.04 0.00 0.00 61.00 62.42 1buj s PRO 20 Cb -0.17 -1.89 1.15 0.00 0.04 0.00 0.00 34.50 33.64 1buj s PRO 20 CO 0.56 -1.84 1.79 -3.47 0.04 0.00 0.00 177.00 174.08 1buj n ASP 21 N -3.56 1.10 -0.03 6.66 2.03 -1.26 -2.97 116.55 118.52 1buj n ASP 21 Ca 0.07 -1.44 0.15 0.00 0.52 0.00 0.00 54.79 54.09 1buj n ASP 21 Cb 0.57 -0.03 0.77 0.00 -0.72 0.00 0.00 41.12 41.72 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 -0.12 0.12 -4.28 1.67 6.94 -1.26 -4.52 115.26 113.80 1buj n ASN 22 Ca 0.19 -0.45 -0.36 0.00 -0.02 0.00 0.00 54.58 53.94 1buj n ASN 22 Cb 0.27 -0.17 -0.14 0.00 -2.36 0.00 0.00 39.78 37.38 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 -2.41 3.06 0.45 -2.53 2.02 -1.16 -0.92 117.35 115.87 1buj s TYR 23 Ca 0.33 -1.16 0.08 0.00 -0.37 0.00 0.00 57.07 55.95 1buj s TYR 23 Cb 0.21 -2.14 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1buj s TYR 23 CO 0.44 -0.62 0.53 0.96 -1.57 0.00 0.00 175.55 175.30 1buj s ILE 24 N 1.43 2.64 0.61 2.71 -4.36 -0.40 -4.67 121.20 119.15 1buj s ILE 24 Ca 0.03 -1.15 -0.04 0.00 -0.26 0.00 0.00 60.65 59.23 1buj s ILE 24 Cb -0.16 -2.79 0.03 0.00 1.25 0.00 0.00 42.46 40.79 1buj s ILE 24 CO -0.02 0.00 0.89 0.42 0.24 0.00 0.00 174.94 176.47 1buj s THR 25 N -2.48 3.02 0.12 8.37 -4.23 -1.25 -0.91 115.64 118.28 1buj s THR 25 Ca 0.52 -0.28 -0.23 0.00 -1.18 0.00 0.00 61.69 60.52 1buj s THR 25 Cb -0.06 -3.21 -0.06 0.00 1.34 0.00 0.00 72.50 70.51 1buj s THR 25 CO 0.31 -0.20 1.69 0.11 -0.54 0.00 0.00 174.62 175.99 1buj h LYS 26 N -0.21 -0.15 -0.46 3.99 1.57 -1.95 -2.29 116.57 117.08 1buj h LYS 26 Ca -0.44 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.46 1buj h LYS 26 Cb 1.28 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 1buj h LYS 26 CO 0.58 -0.10 0.32 0.77 -0.57 0.00 0.00 179.45 180.45 1buj h SER 27 N -0.16 0.10 0.53 0.86 0.02 -1.98 0.13 113.55 113.05 1buj h SER 27 Ca 0.06 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1buj h SER 27 Cb 0.25 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.77 1buj h SER 27 CO -0.16 0.06 -0.26 -0.61 -1.14 0.00 0.00 176.83 174.72 1buj h GLN 28 N 0.11 -0.69 -0.97 3.45 4.15 -1.81 -1.99 115.11 117.37 1buj h GLN 28 Ca 0.22 0.05 0.17 0.00 0.77 0.00 0.00 58.65 59.85 1buj h GLN 28 Cb 0.72 0.16 -0.10 0.00 0.21 0.00 0.00 27.48 28.46 1buj h GLN 28 CO -0.02 -0.43 0.57 0.00 -1.93 0.00 0.00 178.83 177.01 1buj h ALA 29 N -1.11 1.55 -0.58 3.38 0.00 -0.91 -1.15 119.26 120.44 1buj h ALA 29 Ca -0.07 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1buj h ALA 29 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1buj h ALA 29 CO 0.12 -0.02 -0.02 0.77 0.00 0.00 0.00 179.25 180.10 1buj h SER 30 N 0.77 1.03 -0.73 0.00 0.02 -0.78 -1.16 113.55 112.70 1buj h SER 30 Ca 0.54 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 1buj h SER 30 Cb 0.78 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 1buj h SER 30 CO -0.36 1.10 0.48 0.00 -1.14 0.00 0.00 176.83 176.91 1buj h ALA 31 N 0.97 1.55 0.00 3.77 0.00 -0.43 0.21 119.26 125.34 1buj h ALA 31 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1buj h ALA 31 Cb 0.59 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1buj h ALA 31 CO 0.03 0.38 0.00 -0.07 0.00 0.00 0.00 179.25 179.60 1buj h LEU 32 N 0.91 0.00 0.00 0.00 3.38 -0.87 -3.46 115.31 115.27 1buj h LEU 32 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1buj h LEU 32 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1buj h LEU 32 CO -0.08 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.06 1buj n GLY 33 N 0.59 1.78 3.73 0.83 0.00 0.06 -4.98 105.19 107.21 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 3.40 -0.04 1.61 -0.00 -0.52 -4.93 118.94 116.47 1buj s TRP 34 Ca 0.00 1.32 0.17 0.00 -0.00 0.00 0.00 56.10 57.58 1buj s TRP 34 Cb 0.00 -3.46 -0.26 0.00 -0.00 0.00 0.00 33.47 29.75 1buj s TRP 34 CO 0.00 -1.40 0.33 0.28 -0.00 0.00 0.00 176.95 176.17 1buj n VAL 35 N 3.19 0.15 -3.45 5.86 0.31 -1.26 -4.25 118.33 118.88 1buj n VAL 35 Ca 0.07 -0.43 -0.23 0.00 -0.01 0.00 0.00 64.34 63.74 1buj n VAL 35 Cb 0.45 0.01 0.07 0.00 -0.91 0.00 0.00 33.84 33.46 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 -2.16 -1.21 0.03 3.52 0.00 -1.26 -4.70 120.51 114.72 1buj n ALA 36 Ca -0.06 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1buj n ALA 36 Cb 0.53 -5.08 0.00 0.00 0.00 0.00 0.00 19.45 14.89 1buj n ALA 36 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1buj n SER 37 N -2.81 -0.52 -4.13 0.00 7.64 -1.26 -5.13 113.62 107.41 1buj n SER 37 Ca -0.02 0.11 -0.11 0.00 1.01 0.00 0.00 58.87 59.87 1buj n SER 37 Cb 0.57 0.92 -0.10 0.00 -1.01 0.00 0.00 64.21 64.58 1buj n SER 37 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1buj s LYS 38 N -2.00 0.71 -0.00 1.43 0.00 -1.26 -5.04 119.74 113.58 1buj s LYS 38 Ca 0.00 -1.14 -0.00 0.00 0.00 0.00 0.00 55.97 54.82 1buj s LYS 38 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 37.83 37.66 1buj s LYS 38 CO 0.00 -0.01 0.01 0.41 0.00 0.00 0.00 175.35 175.76 1buj n GLY 39 N 0.43 -3.78 3.64 0.59 0.00 -1.26 -4.21 105.19 100.60 1buj n GLY 39 Ca -0.16 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.20 2.60 0.02 1.61 4.22 -1.26 -4.57 114.94 117.37 1buj s ASN 40 Ca -0.01 1.63 -0.27 0.00 -2.14 0.00 0.00 52.86 52.06 1buj s ASN 40 Cb 0.00 -2.28 -0.16 0.00 1.28 0.00 0.00 41.25 40.09 1buj s ASN 40 CO 0.03 -3.21 1.22 0.25 -2.04 0.00 0.00 177.10 173.36 1buj h LEU 41 N -1.94 -0.70 -1.92 3.54 5.85 -1.91 -3.02 115.31 115.21 1buj h LEU 41 Ca -0.52 -0.02 0.25 0.00 0.84 0.00 0.00 57.88 58.43 1buj h LEU 41 Cb 1.30 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.47 1buj h LEU 41 CO 0.51 -0.35 0.63 0.00 -0.34 0.00 0.00 178.44 178.90 1buj h ALA 42 N -0.90 2.75 -0.27 1.25 0.00 -1.81 0.35 119.26 120.63 1buj h ALA 42 Ca -0.08 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1buj h ALA 42 Cb 0.68 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1buj h ALA 42 CO 0.14 -1.01 -0.01 1.49 0.00 0.00 0.00 179.25 179.86 1buj h GLU 43 N 0.06 0.06 0.10 0.00 4.81 -1.90 -2.37 114.58 115.35 1buj h GLU 43 Ca 0.43 -0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.31 1buj h GLU 43 Cb 1.62 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.97 1buj h GLU 43 CO -0.03 0.04 -1.95 0.28 -0.73 0.00 0.00 179.01 176.62 1buj n VAL 44 N -5.17 1.74 -3.66 0.32 0.31 0.10 -4.66 118.33 107.31 1buj n VAL 44 Ca -0.01 -0.57 -0.29 0.00 -0.01 0.00 0.00 64.34 63.46 1buj n VAL 44 Cb 0.14 -1.76 -0.12 0.00 -0.91 0.00 0.00 33.84 31.19 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 -2.53 2.14 0.59 3.52 0.00 0.04 -4.97 121.76 120.56 1buj s ALA 45 Ca -0.24 -2.68 -0.15 0.00 0.00 0.00 0.00 51.96 48.89 1buj s ALA 45 Cb 0.07 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 1buj s ALA 45 CO 0.74 -2.06 1.05 -1.25 0.00 0.00 0.00 175.76 174.24 1buj s PRO 46 N 0.11 3.36 0.00 0.00 0.04 -0.89 -3.43 135.00 134.19 1buj s PRO 46 Ca 0.21 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1buj s PRO 46 Cb -0.16 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1buj s PRO 46 CO -0.06 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.62 1buj n GLY 47 N -1.16 0.68 2.76 0.56 0.00 -1.26 -4.95 105.19 101.81 1buj n GLY 47 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.21 0.57 0.41 1.61 3.01 -1.22 -4.71 119.74 119.20 1buj s LYS 48 Ca 0.00 0.09 0.06 0.00 -1.01 0.00 0.00 55.97 55.11 1buj s LYS 48 Cb 0.00 -1.03 0.06 0.00 -1.01 0.00 0.00 37.83 35.85 1buj s LYS 48 CO 0.00 -0.33 0.54 0.43 0.51 0.00 0.00 175.35 176.50 1buj n SER 49 N 5.15 1.59 -4.84 2.83 7.64 -0.10 -4.69 113.62 121.21 1buj n SER 49 Ca -0.07 -2.12 -0.37 0.00 1.01 0.00 0.00 58.87 57.32 1buj n SER 49 Cb 0.50 -0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.60 4.93 -0.09 0.44 -1.09 -1.26 -1.28 121.20 121.25 1buj s ILE 50 Ca 0.41 0.87 -0.33 0.00 -2.23 0.00 0.00 60.65 59.37 1buj s ILE 50 Cb -0.03 -3.75 0.14 0.00 -1.58 0.00 0.00 42.46 37.24 1buj s ILE 50 CO 0.26 0.45 1.41 -0.83 -1.23 0.00 0.00 174.94 175.00 1buj s GLY 51 N -1.33 -0.47 0.00 6.18 0.00 -0.09 -1.80 107.32 109.81 1buj s GLY 51 Ca 0.30 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.97 1buj s GLY 51 CO 0.17 0.19 0.00 0.61 0.00 0.00 0.00 173.10 174.07 1buj n GLY 52 N -0.47 0.60 3.81 0.20 0.00 -0.94 -3.88 105.19 104.51 1buj n GLY 52 Ca -0.09 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.03 7.05 0.17 1.61 1.01 -1.19 -4.91 116.67 118.38 1buj s ASP 53 Ca 0.00 1.61 -0.29 0.00 0.71 0.00 0.00 52.55 54.58 1buj s ASP 53 Cb 0.00 -2.50 -0.08 0.00 1.01 0.00 0.00 42.92 41.36 1buj s ASP 53 CO 0.00 -0.17 0.91 -0.69 0.21 0.00 0.00 175.17 175.43 1buj s VAL 54 N -1.85 4.30 -0.00 -1.27 1.01 -1.26 -1.04 120.40 120.30 1buj s VAL 54 Ca 0.53 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.51 1buj s VAL 54 Cb -0.14 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 1buj s VAL 54 CO 0.19 0.43 -0.00 0.33 0.00 0.00 0.00 175.10 176.05 1buj n PHE 55 N 2.04 0.00 -0.55 5.22 7.35 -0.90 -4.83 117.46 125.79 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 0.48 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.30 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 -2.44 -3.66 -3.14 -2.13 2.88 -0.36 -5.01 113.62 99.76 1buj n SER 56 Ca -0.01 0.43 0.03 0.00 -1.33 0.00 0.00 58.87 57.99 1buj n SER 56 Cb 0.51 -1.00 -0.00 0.00 -0.75 0.00 0.00 64.21 62.96 1buj n SER 56 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1buj s ASN 57 N -2.45 -1.35 0.14 -3.46 2.47 -1.26 -4.90 114.94 104.14 1buj s ASN 57 Ca 0.00 -0.27 0.07 0.00 0.42 0.00 0.00 52.86 53.09 1buj s ASN 57 Cb 0.00 1.77 -0.12 0.00 -1.45 0.00 0.00 41.25 41.46 1buj s ASN 57 CO 0.00 -0.20 1.33 0.03 -3.72 0.00 0.00 177.10 174.55 1buj h ARG 58 N 7.25 0.01 -1.88 0.43 3.08 -1.91 -3.43 114.38 117.94 1buj h ARG 58 Ca 0.00 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1buj h ARG 58 Cb 1.19 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.02 1buj h ARG 58 CO 0.08 0.94 0.09 -2.00 -1.07 0.00 0.00 179.97 178.01 1buj s GLU 59 N -2.86 0.62 0.00 0.04 2.12 -1.26 -4.72 118.70 112.63 1buj s GLU 59 Ca 0.00 1.12 0.00 0.00 0.36 0.00 0.00 54.97 56.45 1buj s GLU 59 Cb 0.10 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.70 1buj s GLU 59 CO 0.81 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.80 1buj n GLY 60 N 4.31 -1.64 0.14 -1.50 0.00 -1.26 -4.99 105.19 100.25 1buj n GLY 60 Ca -0.19 0.71 -0.22 0.00 0.00 0.00 0.00 46.02 46.32 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 0.60 -3.31 1.61 5.12 -1.26 -5.00 116.66 114.42 1buj n ARG 61 Ca 0.00 0.19 -0.26 0.00 -1.93 0.00 0.00 57.85 55.84 1buj n ARG 61 Cb 0.00 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 29.80 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 -6.86 4.01 1.01 0.55 1.43 -1.26 -5.06 118.68 112.50 1buj s LEU 62 Ca -0.35 0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 53.20 1buj s LEU 62 Cb 0.11 -3.45 0.20 0.00 0.03 0.00 0.00 46.19 43.08 1buj s LEU 62 CO 0.53 -0.26 1.18 -2.16 0.23 0.00 0.00 176.35 175.88 1buj s PRO 63 N -3.95 0.34 0.11 1.29 0.04 -1.26 -4.73 135.00 126.83 1buj s PRO 63 Ca 0.42 -0.01 -0.14 0.00 0.04 0.00 0.00 61.00 61.31 1buj s PRO 63 Cb -0.10 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.69 1buj s PRO 63 CO 0.34 -2.68 0.33 -1.12 0.04 0.00 0.00 177.00 173.91 1buj s SER 64 N -4.24 -0.13 0.25 6.66 0.01 -1.26 -4.92 113.70 110.08 1buj s SER 64 Ca 0.69 -0.39 -0.17 0.00 1.31 0.00 0.00 55.95 57.39 1buj s SER 64 Cb -0.10 0.42 0.01 0.00 0.21 0.00 0.00 66.02 66.56 1buj s SER 64 CO 0.54 -0.79 0.59 0.00 0.41 0.00 0.00 173.24 173.99 1buj s ALA 65 N -3.67 -0.77 -0.35 1.44 0.00 -1.26 -5.06 121.76 112.09 1buj s ALA 65 Ca 0.03 -0.54 -0.27 0.00 0.00 0.00 0.00 51.96 51.18 1buj s ALA 65 Cb 0.02 0.94 -0.06 0.00 0.00 0.00 0.00 23.12 24.03 1buj s ALA 65 CO -0.11 -0.93 2.29 0.45 0.00 0.00 0.00 175.76 177.46 1buj s SER 66 N -2.96 5.01 0.00 0.00 0.15 -1.26 -1.36 113.70 113.29 1buj s SER 66 Ca 0.16 1.49 0.00 0.00 0.70 0.00 0.00 55.95 58.30 1buj s SER 66 Cb -0.03 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1buj s SER 66 CO 0.07 -2.37 0.00 0.61 1.20 0.00 0.00 173.24 172.74 1buj n GLY 67 N 5.86 0.43 3.82 9.45 0.00 -1.26 -5.02 105.19 118.48 1buj n GLY 67 Ca 0.32 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.51 4.08 0.32 1.61 3.52 -0.46 -5.08 118.95 121.42 1buj s ARG 68 Ca 0.00 0.60 0.09 0.00 -0.13 0.00 0.00 55.73 56.29 1buj s ARG 68 Cb 0.00 -3.20 -0.05 0.00 -1.56 0.00 0.00 34.95 30.14 1buj s ARG 68 CO 0.00 0.64 0.06 0.99 -0.81 0.00 0.00 175.30 176.18 1buj s THR 69 N -1.14 3.00 -0.04 4.11 2.01 -1.26 -4.72 115.64 117.61 1buj s THR 69 Ca 0.28 -1.85 0.04 0.00 0.31 0.00 0.00 61.69 60.47 1buj s THR 69 Cb -0.18 -2.87 -0.00 0.00 0.01 0.00 0.00 72.50 69.45 1buj s THR 69 CO 0.17 -0.24 -0.15 0.26 -0.69 0.00 0.00 174.62 173.97 1buj s TRP 70 N -2.43 1.52 0.04 4.92 0.52 -1.26 -2.47 118.94 119.78 1buj s TRP 70 Ca 0.35 -0.43 0.04 0.00 0.02 0.00 0.00 56.10 56.08 1buj s TRP 70 Cb -0.03 -1.03 -0.02 0.00 -1.15 0.00 0.00 33.47 31.23 1buj s TRP 70 CO 0.21 -0.15 -0.12 1.03 0.02 0.00 0.00 176.95 177.94 1buj s ARG 71 N 0.08 0.77 0.32 4.98 0.52 -0.63 -1.23 118.95 123.76 1buj s ARG 71 Ca -0.04 -0.76 0.10 0.00 -0.52 0.00 0.00 55.73 54.51 1buj s ARG 71 Cb -0.11 -0.73 -0.05 0.00 0.52 0.00 0.00 34.95 34.58 1buj s ARG 71 CO 0.02 0.17 -0.04 -1.83 0.02 0.00 0.00 175.30 173.64 1buj s GLU 72 N -1.31 2.03 0.01 3.54 -1.05 -0.20 -1.51 118.70 120.20 1buj s GLU 72 Ca -0.02 -1.71 -0.23 0.00 -0.15 0.00 0.00 54.97 52.86 1buj s GLU 72 Cb -0.08 -1.92 0.05 0.00 -0.44 0.00 0.00 34.13 31.73 1buj s GLU 72 CO 0.01 0.21 0.52 0.00 0.95 0.00 0.00 175.26 176.95 1buj s ALA 73 N -2.49 -1.34 0.37 -0.84 0.00 -0.63 -2.21 121.76 114.62 1buj s ALA 73 Ca 0.33 0.73 -0.25 0.00 0.00 0.00 0.00 51.96 52.77 1buj s ALA 73 Cb -0.02 0.22 -0.09 0.00 0.00 0.00 0.00 23.12 23.23 1buj s ALA 73 CO 0.18 -0.42 1.05 -0.51 0.00 0.00 0.00 175.76 176.06 1buj s ASP 74 N -1.64 6.92 0.12 0.00 1.01 -0.75 -1.24 116.67 121.09 1buj s ASP 74 Ca -0.08 2.06 0.10 0.00 0.71 0.00 0.00 52.55 55.33 1buj s ASP 74 Cb -0.01 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1buj s ASP 74 CO 0.03 -0.38 -0.24 -0.63 0.21 0.00 0.00 175.17 174.15 1buj s ILE 75 N -1.56 2.03 0.17 0.77 -1.09 -0.15 -4.80 121.20 116.58 1buj s ILE 75 Ca 0.54 -1.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.26 1buj s ILE 75 Cb -0.23 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.82 1buj s ILE 75 CO 0.30 0.00 0.00 0.59 -1.23 0.00 0.00 174.94 174.60 1buj n ASN 76 N 0.91 -7.68 -3.15 3.58 3.02 -0.58 -4.72 115.26 106.64 1buj n ASN 76 Ca -0.18 1.12 0.05 0.00 -0.03 0.00 0.00 54.58 55.54 1buj n ASN 76 Cb 0.54 -4.31 -0.01 0.00 -0.61 0.00 0.00 39.78 35.39 1buj n ASN 76 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1buj s TYR 77 N -0.45 -1.19 -0.08 3.10 5.04 -1.26 -4.96 117.35 117.55 1buj s TYR 77 Ca 0.00 1.06 -0.11 0.00 -2.44 0.00 0.00 57.07 55.58 1buj s TYR 77 Cb 0.00 0.34 -0.04 0.00 0.35 0.00 0.00 41.96 42.61 1buj s TYR 77 CO 0.00 -0.67 -0.21 0.28 -1.34 0.00 0.00 175.55 173.61 1buj n VAL 78 N 5.40 1.34 -3.60 3.14 0.31 -1.26 -5.07 118.33 118.59 1buj n VAL 78 Ca -0.00 0.19 -0.11 0.00 -0.01 0.00 0.00 64.34 64.41 1buj n VAL 78 Cb 0.53 -2.01 -0.06 0.00 -0.91 0.00 0.00 33.84 31.39 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 -6.01 -0.44 0.00 4.52 1.04 -1.26 -4.84 113.70 106.70 1buj s SER 79 Ca -0.18 0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1buj s SER 79 Cb 0.03 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1buj s SER 79 CO 0.26 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1buj n GLY 80 N 1.53 0.71 3.97 7.32 0.00 -1.26 -5.03 105.19 112.42 1buj n GLY 80 Ca -0.12 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 43.84 1buj n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1buj s PHE 81 N -2.16 2.27 0.11 1.61 0.08 -1.26 -3.05 117.98 115.58 1buj s PHE 81 Ca 0.00 0.02 -0.30 0.00 0.12 0.00 0.00 56.93 56.77 1buj s PHE 81 Cb 0.00 -3.07 -0.06 0.00 -0.57 0.00 0.00 43.02 39.32 1buj s PHE 81 CO 0.00 -1.48 1.04 1.03 -0.10 0.00 0.00 175.22 175.71 1buj s ARG 82 N -5.13 4.61 0.35 0.44 1.81 -1.26 -4.99 118.95 114.78 1buj s ARG 82 Ca 0.63 1.58 0.06 0.00 -1.72 0.00 0.00 55.73 56.27 1buj s ARG 82 Cb -0.08 -3.35 -0.01 0.00 -0.45 0.00 0.00 34.95 31.06 1buj s ARG 82 CO 0.43 0.06 0.50 0.54 -0.68 0.00 0.00 175.30 176.16 1buj s ASN 83 N 0.26 5.96 0.00 0.23 2.20 -1.26 -5.00 114.94 117.33 1buj s ASN 83 Ca 0.50 -0.11 0.24 0.00 -0.94 0.00 0.00 52.86 52.55 1buj s ASN 83 Cb -0.26 -1.29 0.33 0.00 -2.00 0.00 0.00 41.25 38.03 1buj s ASN 83 CO 0.31 -0.46 1.31 0.00 -2.94 0.00 0.00 177.10 175.31 1buj n ALA 84 N -1.70 3.24 -2.66 3.54 0.00 -1.26 -4.80 120.51 116.87 1buj n ALA 84 Ca -0.00 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.46 1buj n ALA 84 Cb 0.58 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.41 6.32 0.05 0.00 1.11 -1.26 -3.55 116.67 116.92 1buj s ASP 85 Ca 0.23 -0.38 -0.01 0.00 0.18 0.00 0.00 52.55 52.57 1buj s ASP 85 Cb 0.19 -2.46 -0.03 0.00 1.07 0.00 0.00 42.92 41.69 1buj s ASP 85 CO 0.52 -1.32 -0.03 -0.13 1.18 0.00 0.00 175.17 175.38 1buj s ARG 86 N 4.19 0.55 -0.12 8.23 0.52 -0.45 -0.98 118.95 130.89 1buj s ARG 86 Ca 0.31 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.47 1buj s ARG 86 Cb -0.12 0.15 -0.01 0.00 0.52 0.00 0.00 34.95 35.49 1buj s ARG 86 CO 0.19 -0.09 -0.17 -1.17 0.02 0.00 0.00 175.30 174.07 1buj s LEU 87 N -2.54 2.45 -0.17 2.53 2.96 -0.37 -1.87 118.68 121.66 1buj s LEU 87 Ca 0.01 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1buj s LEU 87 Cb 0.03 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.21 1buj s LEU 87 CO -0.07 0.15 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.26 1buj s VAL 88 N 0.42 1.80 0.09 1.68 1.01 -0.22 -1.60 120.40 123.58 1buj s VAL 88 Ca -0.13 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.08 1buj s VAL 88 Cb -0.17 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1buj s VAL 88 CO 0.06 0.45 -0.14 -0.72 0.00 0.00 0.00 175.10 174.75 1buj s TYR 89 N 1.39 1.30 0.65 5.22 -0.85 -0.57 -1.44 117.35 123.04 1buj s TYR 89 Ca 0.04 -0.51 0.00 0.00 -0.52 0.00 0.00 57.07 56.08 1buj s TYR 89 Cb -0.13 -0.71 0.08 0.00 0.38 0.00 0.00 41.96 41.58 1buj s TYR 89 CO -0.11 0.09 0.90 -1.54 -1.52 0.00 0.00 175.55 173.37 1buj s SER 90 N -2.08 4.77 0.20 -0.18 1.04 -0.64 -1.61 113.70 115.21 1buj s SER 90 Ca 0.03 -0.19 -0.11 0.00 0.48 0.00 0.00 55.95 56.16 1buj s SER 90 Cb -0.07 -0.41 0.15 0.00 0.10 0.00 0.00 66.02 65.79 1buj s SER 90 CO 0.02 -1.54 1.87 0.28 0.98 0.00 0.00 173.24 174.85 1buj h SER 91 N -0.26 0.80 -0.47 7.02 0.02 -1.83 -1.13 113.55 117.69 1buj h SER 91 Ca -0.39 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1buj h SER 91 Cb 1.28 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1buj h SER 91 CO 0.46 0.57 0.00 -0.90 -1.14 0.00 0.00 176.83 175.82 1buj n ASP 92 N -4.61 4.21 -2.42 3.07 5.75 -1.26 -4.91 116.55 116.39 1buj n ASP 92 Ca 0.07 -2.52 -0.09 0.00 -0.01 0.00 0.00 54.79 52.24 1buj n ASP 92 Cb 0.04 -0.57 0.04 0.00 -1.03 0.00 0.00 41.12 39.59 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 0.66 -1.30 -3.68 2.11 7.02 -0.43 -5.02 117.44 116.80 1buj n TRP 93 Ca 0.21 0.49 -0.37 0.00 -1.02 0.00 0.00 57.50 56.81 1buj n TRP 93 Cb 0.85 -3.53 -0.11 0.00 -2.42 0.00 0.00 31.31 26.09 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 -4.36 3.85 -0.06 -0.99 1.43 -1.26 -4.88 118.68 112.41 1buj s LEU 94 Ca 0.15 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1buj s LEU 94 Cb -0.02 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1buj s LEU 94 CO 0.41 -0.01 -0.15 -0.63 0.23 0.00 0.00 176.35 176.20 1buj s ILE 95 N 1.50 3.00 -0.02 -0.59 1.01 -1.26 -1.61 121.20 123.22 1buj s ILE 95 Ca 0.07 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 1buj s ILE 95 Cb -0.15 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.14 1buj s ILE 95 CO 0.07 0.58 0.06 -0.31 0.00 0.00 0.00 174.94 175.34 1buj s TYR 96 N -0.54 -0.04 0.29 3.97 1.51 -0.52 -3.06 117.35 118.96 1buj s TYR 96 Ca 0.07 0.10 0.06 0.00 -1.01 0.00 0.00 57.07 56.30 1buj s TYR 96 Cb -0.12 0.00 -0.02 0.00 -0.11 0.00 0.00 41.96 41.72 1buj s TYR 96 CO 0.01 -0.06 0.38 -1.59 -1.11 0.00 0.00 175.55 173.18 1buj s LYS 97 N -0.14 3.18 -0.14 -0.62 0.00 -0.20 -1.06 119.74 120.75 1buj s LYS 97 Ca -0.02 -0.95 -0.23 0.00 0.00 0.00 0.00 55.97 54.77 1buj s LYS 97 Cb -0.01 -2.78 0.06 0.00 0.00 0.00 0.00 37.83 35.09 1buj s LYS 97 CO 0.00 0.24 0.58 -0.08 0.00 0.00 0.00 175.35 176.10 1buj s THR 98 N -2.11 0.01 -0.42 3.79 -1.32 -0.78 -2.31 115.64 112.49 1buj s THR 98 Ca 0.39 -0.07 0.04 0.00 -1.21 0.00 0.00 61.69 60.84 1buj s THR 98 Cb -0.09 -0.85 0.02 0.00 -1.51 0.00 0.00 72.50 70.07 1buj s THR 98 CO 0.29 -0.04 0.56 0.35 -2.21 0.00 0.00 174.62 173.58 1buj n THR 99 N 2.00 0.00 -1.59 5.08 -2.24 -1.26 -1.34 114.28 114.93 1buj n THR 99 Ca -0.16 -0.49 -0.06 0.00 -2.27 0.00 0.00 64.05 61.07 1buj n THR 99 Cb 0.56 1.07 0.17 0.00 -2.10 0.00 0.00 70.33 70.03 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 0.06 2.84 -2.60 3.42 5.68 -1.26 -4.49 116.55 120.20 1buj n ASP 100 Ca 0.02 -3.83 -0.11 0.00 -0.50 0.00 0.00 54.79 50.37 1buj n ASP 100 Cb 0.09 -0.57 0.05 0.00 -1.14 0.00 0.00 41.12 39.55 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 -1.05 -1.48 -3.61 2.11 -0.00 -1.23 -2.67 115.22 107.29 1buj n HIS 101 Ca 0.32 0.60 -0.18 0.00 -0.00 0.00 0.00 57.72 58.45 1buj n HIS 101 Cb 0.90 -3.88 0.01 0.00 -0.00 0.00 0.00 29.99 27.02 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 -2.91 -0.72 -0.13 1.57 4.11 -1.26 -4.85 117.16 112.96 1buj n TYR 102 Ca -0.15 0.15 -0.28 0.00 -0.00 0.00 0.00 57.90 57.62 1buj n TYR 102 Cb 0.60 -1.25 -0.09 0.00 -0.00 0.00 0.00 39.34 38.60 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 -2.35 1.20 -2.33 -3.48 0.00 -1.09 -5.05 120.51 107.41 1buj n ALA 103 Ca -0.09 -1.07 -0.17 0.00 0.00 0.00 0.00 53.44 52.11 1buj n ALA 103 Cb 0.28 0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 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 1.00 0.06 0.00 -4.23 -1.26 -4.96 115.64 103.71 1buj s THR 104 Ca -0.38 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.09 1buj s THR 104 Cb 0.14 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 1buj s THR 104 CO 0.48 -0.32 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.87 1buj s PHE 105 N -3.44 0.55 -0.04 3.99 0.08 -1.26 -4.65 117.98 113.21 1buj s PHE 105 Ca 0.29 -1.07 -0.02 0.00 0.12 0.00 0.00 56.93 56.25 1buj s PHE 105 Cb 0.06 -0.39 0.03 0.00 -0.57 0.00 0.00 43.02 42.15 1buj s PHE 105 CO 0.09 -0.41 0.08 0.99 -0.10 0.00 0.00 175.22 175.87 1buj s THR 106 N -3.93 -0.04 0.04 0.64 2.01 -0.98 -4.96 115.64 108.41 1buj s THR 106 Ca 0.09 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 1buj s THR 106 Cb 0.08 -0.14 -0.05 0.00 0.01 0.00 0.00 72.50 72.40 1buj s THR 106 CO -0.08 0.06 1.19 -0.60 -0.69 0.00 0.00 174.62 174.50 1buj s ARG 107 N 0.86 4.42 -0.03 4.92 3.52 -1.26 -1.03 118.95 130.36 1buj s ARG 107 Ca -0.07 1.74 0.07 0.00 -0.13 0.00 0.00 55.73 57.34 1buj s ARG 107 Cb -0.09 -3.39 -0.11 0.00 -1.56 0.00 0.00 34.95 29.79 1buj s ARG 107 CO -0.03 -0.28 0.13 0.44 -0.81 0.00 0.00 175.30 174.74 1buj n ILE 108 N 4.05 0.14 -1.77 4.11 -0.00 -1.17 -4.97 119.36 119.76 1buj n ILE 108 Ca 0.09 -0.21 0.00 0.00 -0.00 0.00 0.00 62.75 62.63 1buj n ILE 108 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.11 1buj n ILE 108 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41