#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1goy s ILE 3 N 0.00 3.20 0.00 1.34 1.01 -1.26 -4.94 121.20 120.55 1goy s ILE 3 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1goy s ILE 3 Cb 0.00 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1goy s ILE 3 CO 0.00 0.09 0.57 -0.46 0.00 0.00 0.00 174.94 175.14 1goy n ASN 4 N 4.71 0.00 -4.95 3.58 6.94 -1.26 -4.78 115.26 119.50 1goy n ASN 4 Ca -0.15 -1.31 -0.24 0.00 -0.02 0.00 0.00 54.58 52.86 1goy n ASN 4 Cb 0.46 -0.06 0.03 0.00 -2.36 0.00 0.00 39.78 37.86 1goy n ASN 4 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1goy s THR 5 N 0.00 3.18 0.09 5.53 -4.23 -1.26 -0.76 115.64 118.20 1goy s THR 5 Ca 0.00 -0.39 -0.27 0.00 -1.18 0.00 0.00 61.69 59.85 1goy s THR 5 Cb 0.00 -3.24 -0.14 0.00 1.34 0.00 0.00 72.50 70.46 1goy s THR 5 CO 0.00 -0.20 1.67 -0.26 -0.54 0.00 0.00 174.62 175.29 1goy h PHE 6 N -0.02 -0.47 -0.43 3.99 -1.00 -1.99 -1.30 116.94 115.72 1goy h PHE 6 Ca -0.44 -0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.19 1goy h PHE 6 Cb 1.28 0.17 -0.01 0.00 3.61 0.00 0.00 35.95 41.00 1goy h PHE 6 CO 0.41 -0.28 -0.27 -0.44 -1.61 0.00 0.00 178.31 176.12 1goy h ASP 7 N -0.44 0.96 -0.18 2.17 3.45 -1.98 -0.75 116.42 119.66 1goy h ASP 7 Ca -0.02 -0.39 -0.01 0.00 0.43 0.00 0.00 57.03 57.04 1goy h ASP 7 Cb 0.38 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 1goy h ASP 7 CO 0.01 1.17 0.08 1.23 -1.57 0.00 0.00 179.24 180.16 1goy h GLY 8 N 0.87 0.28 1.29 2.75 0.00 -1.94 -1.03 103.07 105.29 1goy h GLY 8 Ca 0.09 -0.14 -0.22 0.00 0.00 0.00 0.00 47.33 47.06 1goy h GLY 8 CO 0.07 0.14 -0.78 -2.08 0.00 0.00 0.00 176.54 173.89 1goy h VAL 9 N 0.14 1.30 -0.58 4.60 2.07 -1.24 -2.83 116.25 119.71 1goy h VAL 9 Ca 0.06 -2.03 0.01 0.00 0.82 0.00 0.00 66.70 65.55 1goy h VAL 9 Cb 0.15 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1goy h VAL 9 CO -0.01 0.64 0.39 0.00 0.02 0.00 0.00 177.57 178.61 1goy h ALA 10 N 0.64 0.74 -0.50 1.67 0.00 -1.06 -0.90 119.26 119.86 1goy h ALA 10 Ca -0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1goy h ALA 10 Cb 1.40 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1goy h ALA 10 CO 0.15 0.17 0.18 -0.44 0.00 0.00 0.00 179.25 179.32 1goy h ASP 11 N 0.79 0.70 -0.26 0.00 3.32 -1.20 -2.06 116.42 117.71 1goy h ASP 11 Ca 0.21 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1goy h ASP 11 Cb -0.09 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1goy h ASP 11 CO -0.05 0.70 0.15 0.22 -1.72 0.00 0.00 179.24 178.54 1goy h TYR 12 N 0.67 0.34 -0.87 4.55 3.20 -1.23 -0.24 116.97 123.39 1goy h TYR 12 Ca 0.16 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.07 1goy h TYR 12 Cb 0.22 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 1goy h TYR 12 CO 0.01 0.26 0.56 -0.07 -1.64 0.00 0.00 178.16 177.28 1goy h LEU 13 N 0.32 0.92 0.09 2.82 3.38 -1.11 0.69 115.31 122.43 1goy h LEU 13 Ca 0.09 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1goy h LEU 13 Cb 0.02 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1goy h LEU 13 CO -0.02 0.63 -0.04 0.40 0.09 0.00 0.00 178.44 179.49 1goy h ILE 14 N 1.07 1.01 -0.06 1.22 1.08 -0.84 -0.17 117.51 120.82 1goy h ILE 14 Ca 0.35 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 1goy h ILE 14 Cb 0.04 1.23 -0.00 0.00 -3.07 0.00 0.00 36.82 35.01 1goy h ILE 14 CO -0.13 0.09 0.01 -0.09 -0.69 0.00 0.00 178.15 177.34 1goy h ARG 15 N -0.28 0.09 0.00 2.37 2.43 -0.79 -3.38 114.38 114.83 1goy h ARG 15 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1goy h ARG 15 Cb 0.24 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1goy h ARG 15 CO 0.02 0.32 -0.65 0.66 -1.51 0.00 0.00 179.97 178.81 1goy n TYR 16 N -4.90 0.00 -1.57 2.20 4.01 0.24 -5.00 117.16 112.13 1goy n TYR 16 Ca -0.07 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.55 1goy n TYR 16 Cb 0.16 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 1goy n TYR 16 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1goy n LYS 17 N -1.33 -0.90 -3.47 -0.72 4.01 -0.08 -4.97 118.16 110.70 1goy n LYS 17 Ca 0.03 0.86 -0.15 0.00 -0.51 0.00 0.00 58.31 58.54 1goy n LYS 17 Cb 0.21 -4.93 -0.04 0.00 -0.51 0.00 0.00 35.03 29.76 1goy n LYS 17 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1goy s ARG 18 N -3.44 1.16 0.71 1.97 1.70 -1.26 -5.06 118.95 114.74 1goy s ARG 18 Ca 0.00 -0.10 -0.14 0.00 -0.47 0.00 0.00 55.73 55.02 1goy s ARG 18 Cb 0.00 0.54 0.03 0.00 -0.57 0.00 0.00 34.95 34.95 1goy s ARG 18 CO 0.00 -0.44 1.13 -0.51 -1.08 0.00 0.00 175.30 174.40 1goy s LEU 19 N -1.95 3.29 1.21 -1.89 1.43 -1.26 -4.06 118.68 115.45 1goy s LEU 19 Ca -0.05 2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 54.97 1goy s LEU 19 Cb -0.00 -4.56 0.29 0.00 0.03 0.00 0.00 46.19 41.95 1goy s LEU 19 CO -0.01 -1.94 1.02 -2.84 0.23 0.00 0.00 176.35 172.80 1goy s PRO 20 N -4.19 -1.30 0.00 1.29 0.02 -1.26 -4.90 135.00 124.65 1goy s PRO 20 Ca 0.68 0.51 0.18 0.00 0.02 0.00 0.00 61.00 62.39 1goy s PRO 20 Cb -0.22 -1.54 0.84 0.00 0.02 0.00 0.00 34.50 33.60 1goy s PRO 20 CO 0.45 -3.89 1.56 0.27 -0.33 0.00 0.00 177.00 175.06 1goy n ASN 21 N -4.99 0.00 -0.18 2.53 0.23 -1.26 -2.79 115.26 108.81 1goy n ASN 21 Ca 0.06 0.24 0.14 0.00 -0.53 0.00 0.00 54.58 54.49 1goy n ASN 21 Cb 0.57 -0.38 0.72 0.00 -2.08 0.00 0.00 39.78 38.61 1goy n ASN 21 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1goy n ASP 22 N -1.38 0.54 -4.83 0.53 5.75 -1.26 -4.89 116.55 111.00 1goy n ASP 22 Ca 0.07 -1.26 -0.33 0.00 -0.01 0.00 0.00 54.79 53.25 1goy n ASP 22 Cb 0.17 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.19 1goy n ASP 22 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1goy s TYR 23 N -1.98 3.41 0.01 2.11 1.51 -1.12 -0.30 117.35 120.98 1goy s TYR 23 Ca 0.41 0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 56.75 1goy s TYR 23 Cb 0.20 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1goy s TYR 23 CO 0.33 0.60 0.01 0.96 -1.11 0.00 0.00 175.55 176.34 1goy s ILE 24 N -1.23 0.06 0.91 2.71 -4.36 -0.24 -4.91 121.20 114.14 1goy s ILE 24 Ca 0.24 -0.50 -0.12 0.00 -0.26 0.00 0.00 60.65 60.00 1goy s ILE 24 Cb -0.12 -0.19 0.14 0.00 1.25 0.00 0.00 42.46 43.54 1goy s ILE 24 CO 0.15 -0.28 1.10 0.42 0.24 0.00 0.00 174.94 176.57 1goy s THR 25 N -0.83 2.50 0.24 8.37 -4.23 -1.18 -1.13 115.64 119.37 1goy s THR 25 Ca -0.09 0.16 -0.07 0.00 -1.18 0.00 0.00 61.69 60.51 1goy s THR 25 Cb -0.06 -2.72 0.24 0.00 1.34 0.00 0.00 72.50 71.30 1goy s THR 25 CO -0.00 -0.21 1.92 0.11 -0.54 0.00 0.00 174.62 175.89 1goy h LYS 26 N -1.56 1.26 -0.55 3.99 1.57 -1.97 -0.74 116.57 118.57 1goy h LYS 26 Ca -0.51 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.16 1goy h LYS 26 Cb 1.30 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1goy h LYS 26 CO 0.57 0.84 0.21 0.66 -0.57 0.00 0.00 179.45 181.16 1goy h SER 27 N 1.30 0.77 -0.42 0.86 4.64 -1.99 -1.69 113.55 117.02 1goy h SER 27 Ca 0.35 -0.18 0.07 0.00 -0.47 0.00 0.00 61.79 61.56 1goy h SER 27 Cb -0.14 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 61.69 1goy h SER 27 CO -0.07 0.74 0.06 -0.61 -0.87 0.00 0.00 176.83 176.08 1goy h GLN 28 N 0.76 0.18 -0.83 4.77 5.75 -1.86 -0.46 115.11 123.40 1goy h GLN 28 Ca 0.18 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.67 1goy h GLN 28 Cb 0.22 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 1goy h GLN 28 CO -0.01 0.12 0.52 0.00 -2.65 0.00 0.00 178.83 176.81 1goy h ALA 29 N 1.33 1.06 -0.44 3.38 0.00 -0.83 -2.01 119.26 121.75 1goy h ALA 29 Ca 0.20 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1goy h ALA 29 Cb 0.26 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1goy h ALA 29 CO -0.29 0.50 0.02 0.77 0.00 0.00 0.00 179.25 180.26 1goy h SER 30 N 1.14 0.74 -0.68 0.00 0.02 -1.00 -0.12 113.55 113.64 1goy h SER 30 Ca 0.30 -0.29 0.07 0.00 -0.84 0.00 0.00 61.79 61.03 1goy h SER 30 Cb -0.07 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 1goy h SER 30 CO -0.06 0.85 0.45 0.00 -1.14 0.00 0.00 176.83 176.93 1goy h ALA 31 N 0.92 1.78 0.00 3.77 0.00 -0.53 0.05 119.26 125.26 1goy h ALA 31 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1goy h ALA 31 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1goy h ALA 31 CO 0.02 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.65 1goy n LEU 32 N -4.48 0.29 0.00 0.00 4.77 -0.81 -4.93 117.00 111.84 1goy n LEU 32 Ca 0.10 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1goy n LEU 32 Cb 0.26 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1goy n LEU 32 CO 0.34 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1goy n GLY 33 N 1.06 0.94 3.73 -0.72 0.00 0.01 -4.87 105.19 105.33 1goy n GLY 33 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1goy n GLY 33 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1goy n TRP 34 N -0.49 2.72 -4.79 1.61 -0.00 -0.10 -4.96 117.44 111.43 1goy n TRP 34 Ca 0.00 0.21 -0.27 0.00 -0.00 0.00 0.00 57.50 57.44 1goy n TRP 34 Cb 0.00 -2.60 -0.17 0.00 -0.00 0.00 0.00 31.31 28.54 1goy n TRP 34 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1goy s VAL 35 N 0.38 1.43 0.55 5.87 0.11 -1.26 -4.33 120.40 123.14 1goy s VAL 35 Ca 0.68 -0.65 0.37 0.00 -2.93 0.00 0.00 61.98 59.45 1goy s VAL 35 Cb -0.53 -1.27 0.39 0.00 -1.53 0.00 0.00 36.38 33.44 1goy s VAL 35 CO 0.43 0.42 2.25 0.00 -3.33 0.00 0.00 175.10 174.88 1goy h ALA 36 N 6.88 1.19 0.00 1.54 0.00 -2.01 -2.35 119.26 124.51 1goy h ALA 36 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1goy h ALA 36 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1goy h ALA 36 CO 0.47 0.03 -0.58 -1.13 0.00 0.00 0.00 179.25 178.04 1goy n SER 37 N -3.39 0.56 0.09 0.00 3.41 -1.26 -4.20 113.62 108.84 1goy n SER 37 Ca -0.02 -0.12 0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1goy n SER 37 Cb 0.13 0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 1goy n SER 37 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1goy h LYS 38 N 0.00 0.00 -2.37 4.33 1.57 -1.85 -3.49 116.57 114.76 1goy h LYS 38 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1goy h LYS 38 Cb 0.60 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1goy h LYS 38 CO 0.00 0.13 -0.44 0.41 -0.57 0.00 0.00 179.45 178.98 1goy n GLY 39 N 1.25 -0.17 1.54 3.86 0.00 -1.23 -4.94 105.19 105.50 1goy n GLY 39 Ca -0.03 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1goy n GLY 39 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1goy n ASP 40 N -1.34 4.59 -0.16 1.61 5.75 -1.26 -3.85 116.55 121.89 1goy n ASP 40 Ca -0.21 -2.33 -0.04 0.00 -0.01 0.00 0.00 54.79 52.21 1goy n ASP 40 Cb 0.65 -0.56 0.03 0.00 -1.03 0.00 0.00 41.12 40.21 1goy n ASP 40 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1goy h LEU 41 N 4.19 -0.63 -2.09 -2.12 6.46 -1.89 0.72 115.31 119.94 1goy h LEU 41 Ca 0.00 0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 1goy h LEU 41 Cb 1.34 0.37 -0.00 0.00 -0.73 0.00 0.00 40.66 41.64 1goy h LEU 41 CO 0.17 -0.21 -0.08 0.00 -0.62 0.00 0.00 178.44 177.70 1goy h ALA 42 N 1.35 1.50 0.03 1.25 0.00 -1.84 0.14 119.26 121.69 1goy h ALA 42 Ca 0.24 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.82 1goy h ALA 42 Cb 0.43 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.23 1goy h ALA 42 CO -0.55 0.09 -1.05 0.93 0.00 0.00 0.00 179.25 178.68 1goy h GLU 43 N 0.00 0.66 0.00 0.00 5.08 -1.21 -2.97 114.58 116.13 1goy h GLU 43 Ca -0.00 -0.75 -0.03 0.00 -1.00 0.00 0.00 59.36 57.58 1goy h GLU 43 Cb 0.18 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1goy h GLU 43 CO 0.01 1.32 -1.01 -0.39 -1.00 0.00 0.00 179.01 177.94 1goy h VAL 44 N 0.31 0.09 -1.69 3.13 -1.51 -1.24 -3.39 116.25 111.95 1goy h VAL 44 Ca -0.14 -1.18 -0.48 0.00 -1.23 0.00 0.00 66.70 63.68 1goy h VAL 44 Cb 1.72 1.62 -0.36 0.00 -2.13 0.00 0.00 31.29 32.14 1goy h VAL 44 CO 0.21 0.05 -1.05 0.00 -1.23 0.00 0.00 177.57 175.55 1goy n ALA 45 N -2.21 1.70 -1.53 5.19 0.00 0.47 -4.92 120.51 119.20 1goy n ALA 45 Ca -0.01 -3.09 -0.55 0.00 0.00 0.00 0.00 53.44 49.79 1goy n ALA 45 Cb 0.60 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 19.05 1goy n ALA 45 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1goy n PRO 46 N 0.89 0.52 -0.94 0.00 -0.04 -1.12 -1.39 135.00 132.92 1goy n PRO 46 Ca 0.21 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1goy n PRO 46 Cb 0.60 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1goy n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1goy n GLY 47 N 1.94 0.95 3.83 0.55 0.00 -1.26 -5.04 105.19 106.16 1goy n GLY 47 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1goy n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1goy s LYS 48 N -0.06 2.98 0.11 1.61 -0.14 -0.48 -4.87 119.74 118.89 1goy s LYS 48 Ca 0.00 -0.90 0.06 0.00 -1.36 0.00 0.00 55.97 53.78 1goy s LYS 48 Cb 0.00 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.45 1goy s LYS 48 CO 0.00 0.46 -0.16 -1.12 -0.76 0.00 0.00 175.35 173.77 1goy s SER 49 N -3.37 2.11 -0.05 2.83 0.01 0.58 -4.84 113.70 110.97 1goy s SER 49 Ca 0.32 -0.75 -0.29 0.00 1.31 0.00 0.00 55.95 56.54 1goy s SER 49 Cb -0.09 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 1goy s SER 49 CO 0.24 -0.08 0.96 -0.63 0.41 0.00 0.00 173.24 174.15 1goy s ILE 50 N -1.76 4.85 -0.09 1.44 1.01 -1.26 -1.08 121.20 124.31 1goy s ILE 50 Ca 0.07 1.98 -0.30 0.00 0.00 0.00 0.00 60.65 62.40 1goy s ILE 50 Cb -0.07 -4.29 0.12 0.00 0.01 0.00 0.00 42.46 38.23 1goy s ILE 50 CO 0.03 0.11 0.98 -0.83 0.00 0.00 0.00 174.94 175.23 1goy s GLY 51 N 1.03 -0.36 0.00 6.18 0.00 -0.29 -0.83 107.32 113.05 1goy s GLY 51 Ca 0.49 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.71 1goy s GLY 51 CO 0.23 0.63 0.00 0.61 0.00 0.00 0.00 173.10 174.57 1goy n GLY 52 N 0.14 0.76 3.94 0.20 0.00 -0.43 -3.13 105.19 106.67 1goy n GLY 52 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1goy n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1goy s ASP 53 N -2.22 5.78 0.22 1.61 1.01 -1.25 -4.83 116.67 116.98 1goy s ASP 53 Ca 0.00 0.45 -0.30 0.00 0.71 0.00 0.00 52.55 53.41 1goy s ASP 53 Cb 0.00 -1.62 -0.09 0.00 1.01 0.00 0.00 42.92 42.22 1goy s ASP 53 CO 0.00 -0.80 1.23 -0.69 0.21 0.00 0.00 175.17 175.12 1goy s VAL 54 N -2.69 3.34 -0.22 -1.27 1.01 -1.26 -1.33 120.40 117.97 1goy s VAL 54 Ca 0.50 1.17 -0.04 0.00 0.00 0.00 0.00 61.98 63.61 1goy s VAL 54 Cb -0.10 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1goy s VAL 54 CO 0.40 0.20 -0.04 0.12 0.00 0.00 0.00 175.10 175.79 1goy s PHE 55 N -0.26 2.97 0.11 5.22 5.36 -0.12 -4.79 117.98 126.47 1goy s PHE 55 Ca 0.53 -0.94 0.19 0.00 -0.96 0.00 0.00 56.93 55.74 1goy s PHE 55 Cb -0.35 -2.11 0.61 0.00 -0.34 0.00 0.00 43.02 40.83 1goy s PHE 55 CO 0.40 -0.55 1.70 0.66 -1.46 0.00 0.00 175.22 175.96 1goy h SER 56 N 8.12 0.00 -2.90 6.13 4.64 -1.96 -3.37 113.55 124.21 1goy h SER 56 Ca -0.41 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.54 1goy h SER 56 Cb 1.16 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.21 1goy h SER 56 CO 0.60 0.38 -0.45 -3.20 -0.87 0.00 0.00 176.83 173.29 1goy n ASN 57 N -3.46 -5.25 0.30 4.97 5.15 -1.26 -4.87 115.26 110.84 1goy n ASN 57 Ca 0.00 0.11 0.18 0.00 -0.60 0.00 0.00 54.58 54.27 1goy n ASN 57 Cb 0.54 -4.44 0.96 0.00 -0.53 0.00 0.00 39.78 36.32 1goy n ASN 57 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1goy h ARG 58 N 0.00 0.00 0.00 1.20 0.11 -2.00 -1.37 114.38 112.32 1goy h ARG 58 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 1goy h ARG 58 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 1goy h ARG 58 CO 0.52 0.03 0.00 0.39 0.10 0.00 0.00 179.97 181.01 1goy n GLU 59 N -3.46 0.06 -1.92 0.08 4.71 -1.26 -4.94 120.64 113.90 1goy n GLU 59 Ca -0.02 0.11 -0.15 0.00 -0.01 0.00 0.00 57.16 57.08 1goy n GLU 59 Cb 0.13 -1.57 -0.03 0.00 -1.01 0.00 0.00 31.44 28.96 1goy n GLU 59 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1goy n GLY 60 N 1.11 0.54 0.02 0.62 0.00 -0.52 -4.92 105.19 102.05 1goy n GLY 60 Ca 0.06 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1goy n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1goy n ARG 61 N -2.51 0.09 -4.37 1.61 1.74 -1.26 -4.79 116.66 107.17 1goy n ARG 61 Ca -0.17 -0.04 -0.31 0.00 -0.77 0.00 0.00 57.85 56.56 1goy n ARG 61 Cb 0.58 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.42 1goy n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1goy s LEU 62 N -2.93 3.18 0.23 0.55 1.43 -1.26 -4.98 118.68 114.90 1goy s LEU 62 Ca 0.14 -0.20 -0.31 0.00 -1.03 0.00 0.00 54.13 52.73 1goy s LEU 62 Cb 0.18 -1.87 -0.12 0.00 0.03 0.00 0.00 46.19 44.42 1goy s LEU 62 CO 0.61 0.25 1.66 -2.16 0.23 0.00 0.00 176.35 176.94 1goy s PRO 63 N -1.70 4.13 0.10 1.29 0.04 -1.26 -4.99 135.00 132.60 1goy s PRO 63 Ca 0.19 2.58 0.03 0.00 0.04 0.00 0.00 61.00 63.84 1goy s PRO 63 Cb -0.11 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1goy s PRO 63 CO 0.10 -0.70 0.12 -1.54 0.04 0.00 0.00 177.00 175.03 1goy s SER 64 N 0.93 5.72 0.04 6.66 1.04 -1.26 -5.09 113.70 121.73 1goy s SER 64 Ca 0.70 0.03 -0.23 0.00 0.48 0.00 0.00 55.95 56.93 1goy s SER 64 Cb -0.49 -1.58 0.05 0.00 0.10 0.00 0.00 66.02 64.11 1goy s SER 64 CO 0.38 0.15 0.53 0.00 0.98 0.00 0.00 173.24 175.27 1goy s ALA 65 N -1.49 -1.36 0.01 5.32 0.00 -1.26 -5.09 121.76 117.89 1goy s ALA 65 Ca 0.31 0.65 -0.32 0.00 0.00 0.00 0.00 51.96 52.60 1goy s ALA 65 Cb -0.12 0.35 -0.11 0.00 0.00 0.00 0.00 23.12 23.24 1goy s ALA 65 CO 0.24 -0.49 1.88 0.41 0.00 0.00 0.00 175.76 177.79 1goy n GLY 66 N 0.46 1.60 3.32 0.00 0.00 -1.26 -2.08 105.19 107.23 1goy n GLY 66 Ca -0.18 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1goy n GLY 66 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1goy n SER 67 N 6.43 0.00 -4.72 1.61 2.88 -1.26 -5.01 113.62 113.55 1goy n SER 67 Ca 0.20 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.33 1goy n SER 67 Cb 0.34 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.77 1goy n SER 67 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1goy s ARG 68 N -0.03 4.33 -0.01 -1.46 3.52 -0.88 -4.96 118.95 119.45 1goy s ARG 68 Ca 0.00 2.08 0.07 0.00 -0.13 0.00 0.00 55.73 57.76 1goy s ARG 68 Cb 0.00 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 30.14 1goy s ARG 68 CO 0.00 -0.40 -0.24 0.99 -0.81 0.00 0.00 175.30 174.84 1goy s THR 69 N 0.86 1.87 -0.05 4.11 2.01 -1.26 -4.79 115.64 118.38 1goy s THR 69 Ca 0.63 -1.04 -0.01 0.00 0.31 0.00 0.00 61.69 61.58 1goy s THR 69 Cb -0.37 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 1goy s THR 69 CO 0.32 0.50 0.02 0.26 -0.69 0.00 0.00 174.62 175.03 1goy s TRP 70 N -0.58 3.16 0.24 4.92 0.52 -1.26 -0.73 118.94 125.21 1goy s TRP 70 Ca 0.09 0.17 0.07 0.00 0.02 0.00 0.00 56.10 56.45 1goy s TRP 70 Cb -0.09 -1.75 -0.05 0.00 -1.15 0.00 0.00 33.47 30.43 1goy s TRP 70 CO -0.01 0.49 -0.11 1.03 0.02 0.00 0.00 176.95 178.37 1goy s ARG 71 N -1.21 1.44 0.14 4.98 0.52 0.19 -0.95 118.95 124.05 1goy s ARG 71 Ca 0.17 -1.68 0.06 0.00 -0.52 0.00 0.00 55.73 53.75 1goy s ARG 71 Cb -0.11 -1.15 -0.04 0.00 0.52 0.00 0.00 34.95 34.17 1goy s ARG 71 CO 0.06 0.12 -0.13 -1.83 0.02 0.00 0.00 175.30 173.54 1goy s GLU 72 N -3.68 1.07 -0.08 3.54 4.04 -0.44 -1.22 118.70 121.92 1goy s GLU 72 Ca 0.26 -1.32 -0.10 0.00 0.04 0.00 0.00 54.97 53.85 1goy s GLU 72 Cb 0.01 -0.88 0.02 0.00 0.02 0.00 0.00 34.13 33.30 1goy s GLU 72 CO 0.09 0.16 0.26 0.00 -1.84 0.00 0.00 175.26 173.93 1goy s ALA 73 N -2.46 -0.65 0.26 -0.84 0.00 0.36 -1.31 121.76 117.11 1goy s ALA 73 Ca 0.12 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.43 1goy s ALA 73 Cb -0.03 -0.35 -0.09 0.00 0.00 0.00 0.00 23.12 22.65 1goy s ALA 73 CO 0.03 -0.15 1.17 -0.51 0.00 0.00 0.00 175.76 176.30 1goy s ASP 74 N -0.12 7.12 0.12 0.00 1.11 -0.01 -0.79 116.67 124.10 1goy s ASP 74 Ca -0.02 2.34 0.09 0.00 0.18 0.00 0.00 52.55 55.13 1goy s ASP 74 Cb -0.03 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 1goy s ASP 74 CO 0.01 -0.29 -0.18 -0.63 1.18 0.00 0.00 175.17 175.27 1goy s ILE 75 N -0.81 2.86 -2.00 0.77 -1.09 -0.60 -4.67 121.20 115.66 1goy s ILE 75 Ca 0.48 -1.51 0.00 0.00 -2.23 0.00 0.00 60.65 57.38 1goy s ILE 75 Cb -0.34 -2.32 0.00 0.00 -1.58 0.00 0.00 42.46 38.22 1goy s ILE 75 CO 0.42 0.09 0.00 0.59 -1.23 0.00 0.00 174.94 174.80 1goy n ASN 76 N 0.75 -5.16 -4.74 3.58 3.02 0.06 -4.54 115.26 108.24 1goy n ASN 76 Ca -0.15 0.42 -0.41 0.00 -0.03 0.00 0.00 54.58 54.41 1goy n ASN 76 Cb 0.53 -4.55 -0.05 0.00 -0.61 0.00 0.00 39.78 35.10 1goy n ASN 76 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1goy s TYR 77 N -2.68 3.78 0.00 3.10 5.04 -1.26 -4.91 117.35 120.41 1goy s TYR 77 Ca 0.00 1.77 0.00 0.00 -2.44 0.00 0.00 57.07 56.40 1goy s TYR 77 Cb 0.00 -3.12 0.00 0.00 0.35 0.00 0.00 41.96 39.19 1goy s TYR 77 CO 0.00 -0.04 0.00 0.28 -1.34 0.00 0.00 175.55 174.45 1goy n VAL 78 N 2.09 0.00 -3.59 3.14 0.31 -1.26 -4.96 118.33 114.06 1goy n VAL 78 Ca 0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.28 1goy n VAL 78 Cb 0.47 -1.02 -0.02 0.00 -0.91 0.00 0.00 33.84 32.36 1goy n VAL 78 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1goy s SER 79 N -4.93 -0.27 0.00 4.52 1.04 -1.26 -4.79 113.70 108.02 1goy s SER 79 Ca 0.00 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1goy s SER 79 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1goy s SER 79 CO 0.00 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1goy n GLY 80 N -0.30 -0.95 3.73 7.32 0.00 -1.26 -4.89 105.19 108.85 1goy n GLY 80 Ca -0.07 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 1goy n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1goy s PHE 81 N 0.00 2.17 0.56 1.61 0.40 -1.25 -4.54 117.98 116.93 1goy s PHE 81 Ca 0.00 1.55 -0.20 0.00 -0.60 0.00 0.00 56.93 57.68 1goy s PHE 81 Cb 0.00 -3.51 -0.05 0.00 0.51 0.00 0.00 43.02 39.97 1goy s PHE 81 CO 0.00 -2.53 1.20 1.03 0.70 0.00 0.00 175.22 175.61 1goy s ARG 82 N -3.63 3.19 0.00 0.44 0.52 -1.26 -5.00 118.95 113.21 1goy s ARG 82 Ca 0.77 1.81 0.00 0.00 -0.52 0.00 0.00 55.73 57.78 1goy s ARG 82 Cb -0.31 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.11 1goy s ARG 82 CO 0.40 -1.02 0.00 0.27 0.02 0.00 0.00 175.30 174.97 1goy n ASN 83 N -1.31 0.00 -0.51 0.23 0.23 -1.26 -5.04 115.26 107.61 1goy n ASN 83 Ca 0.12 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.22 1goy n ASN 83 Cb 0.49 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.30 1goy n ASN 83 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1goy n ALA 84 N -3.00 2.21 -2.69 -2.53 0.00 -1.26 -4.98 120.51 108.26 1goy n ALA 84 Ca 0.00 -1.02 -0.39 0.00 0.00 0.00 0.00 53.44 52.03 1goy n ALA 84 Cb 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 1goy n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1goy s ASP 85 N -0.96 6.74 0.03 0.00 1.01 -1.26 -2.01 116.67 120.22 1goy s ASP 85 Ca 0.18 0.90 0.01 0.00 0.71 0.00 0.00 52.55 54.34 1goy s ASP 85 Cb 0.10 -2.34 -0.02 0.00 1.01 0.00 0.00 42.92 41.67 1goy s ASP 85 CO 0.13 -0.14 -0.05 -0.13 0.21 0.00 0.00 175.17 175.20 1goy s ARG 86 N 1.21 0.38 -0.14 8.23 1.81 -0.67 -1.56 118.95 128.20 1goy s ARG 86 Ca 0.29 -0.62 -0.02 0.00 -1.72 0.00 0.00 55.73 53.66 1goy s ARG 86 Cb -0.16 -0.05 -0.02 0.00 -0.45 0.00 0.00 34.95 34.27 1goy s ARG 86 CO 0.12 -0.01 -0.08 -1.17 -0.68 0.00 0.00 175.30 173.49 1goy s LEU 87 N -1.40 3.03 -0.17 2.53 2.96 0.03 -1.91 118.68 123.74 1goy s LEU 87 Ca -0.13 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1goy s LEU 87 Cb -0.09 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.90 1goy s LEU 87 CO -0.00 0.17 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.31 1goy s VAL 88 N 0.35 2.19 0.01 1.68 1.01 0.19 -0.49 120.40 125.34 1goy s VAL 88 Ca -0.07 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.05 1goy s VAL 88 Cb -0.15 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1goy s VAL 88 CO 0.04 0.53 -0.14 -0.72 0.00 0.00 0.00 175.10 174.82 1goy s TYR 89 N 1.16 1.21 0.48 5.22 -0.85 -0.36 0.28 117.35 124.49 1goy s TYR 89 Ca 0.02 -0.28 0.05 0.00 -0.52 0.00 0.00 57.07 56.33 1goy s TYR 89 Cb -0.14 -0.75 0.02 0.00 0.38 0.00 0.00 41.96 41.47 1goy s TYR 89 CO -0.09 0.00 0.66 -1.54 -1.52 0.00 0.00 175.55 173.07 1goy s SER 90 N -0.68 5.50 0.44 -0.18 1.04 0.06 -0.64 113.70 119.24 1goy s SER 90 Ca 0.04 -0.21 0.18 0.00 0.48 0.00 0.00 55.95 56.44 1goy s SER 90 Cb -0.06 -0.80 1.03 0.00 0.10 0.00 0.00 66.02 66.29 1goy s SER 90 CO 0.00 -0.92 1.95 0.77 0.98 0.00 0.00 173.24 176.02 1goy h SER 91 N 0.38 0.00 -0.71 7.02 4.64 -1.28 -1.91 113.55 121.70 1goy h SER 91 Ca -0.41 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.74 1goy h SER 91 Cb 1.29 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.28 1goy h SER 91 CO 0.49 0.23 0.21 -0.90 -0.87 0.00 0.00 176.83 175.98 1goy n ASP 92 N -4.01 5.14 -1.42 4.97 3.85 -1.26 -4.96 116.55 118.85 1goy n ASP 92 Ca -0.02 -3.15 -0.12 0.00 -0.71 0.00 0.00 54.79 50.79 1goy n ASP 92 Cb 0.30 -0.74 -0.00 0.00 -1.35 0.00 0.00 41.12 39.33 1goy n ASP 92 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1goy n TRP 93 N 0.07 -0.62 -2.85 2.11 7.02 -0.72 -5.01 117.44 117.44 1goy n TRP 93 Ca 0.38 0.02 -0.41 0.00 -1.02 0.00 0.00 57.50 56.47 1goy n TRP 93 Cb 1.35 -2.76 -0.04 0.00 -2.42 0.00 0.00 31.31 27.44 1goy n TRP 93 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1goy s LEU 94 N -3.54 4.45 -0.12 -0.99 1.43 -1.26 -4.85 118.68 113.80 1goy s LEU 94 Ca 0.01 1.60 0.01 0.00 -1.03 0.00 0.00 54.13 54.73 1goy s LEU 94 Cb -0.01 -3.41 0.02 0.00 0.03 0.00 0.00 46.19 42.82 1goy s LEU 94 CO 0.02 -0.07 -0.15 -0.63 0.23 0.00 0.00 176.35 175.75 1goy s ILE 95 N 0.18 1.54 0.17 -0.59 1.01 -0.90 -0.76 121.20 121.84 1goy s ILE 95 Ca 0.44 -0.65 0.11 0.00 0.00 0.00 0.00 60.65 60.54 1goy s ILE 95 Cb -0.21 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1goy s ILE 95 CO 0.26 0.45 -0.22 -0.31 0.00 0.00 0.00 174.94 175.12 1goy s TYR 96 N 1.12 2.37 0.23 3.97 1.51 0.14 -0.91 117.35 125.78 1goy s TYR 96 Ca -0.03 -0.34 0.11 0.00 -1.01 0.00 0.00 57.07 55.80 1goy s TYR 96 Cb -0.14 -1.21 -0.05 0.00 -0.11 0.00 0.00 41.96 40.45 1goy s TYR 96 CO -0.04 0.45 -0.19 -1.59 -1.11 0.00 0.00 175.55 173.07 1goy s LYS 97 N -2.48 1.71 -0.07 -0.62 -2.85 0.06 -0.64 119.74 114.85 1goy s LYS 97 Ca 0.19 -1.57 -0.11 0.00 -1.00 0.00 0.00 55.97 53.49 1goy s LYS 97 Cb -0.09 -1.89 0.02 0.00 -2.06 0.00 0.00 37.83 33.82 1goy s LYS 97 CO 0.09 0.38 0.27 -0.08 0.10 0.00 0.00 175.35 176.11 1goy s THR 98 N -2.03 0.03 -0.06 3.79 -1.32 -0.80 -0.69 115.64 114.55 1goy s THR 98 Ca 0.25 -0.21 0.09 0.00 -1.21 0.00 0.00 61.69 60.61 1goy s THR 98 Cb -0.07 -0.45 0.13 0.00 -1.51 0.00 0.00 72.50 70.60 1goy s THR 98 CO 0.13 -0.12 1.02 0.35 -2.21 0.00 0.00 174.62 173.79 1goy n THR 99 N 2.32 1.14 -2.54 5.08 -2.24 -1.26 -1.67 114.28 115.10 1goy n THR 99 Ca -0.16 -1.31 0.01 0.00 -2.27 0.00 0.00 64.05 60.32 1goy n THR 99 Cb 0.57 0.22 0.04 0.00 -2.10 0.00 0.00 70.33 69.06 1goy n THR 99 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1goy n ASP 100 N -0.79 1.44 -3.79 3.42 3.85 -1.22 -4.68 116.55 114.77 1goy n ASP 100 Ca 0.07 -2.22 -0.26 0.00 -0.71 0.00 0.00 54.79 51.67 1goy n ASP 100 Cb 0.53 -0.38 0.02 0.00 -1.35 0.00 0.00 41.12 39.93 1goy n ASP 100 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.20 177.76 1goy n HIS 101 N -0.06 -1.81 -0.99 2.11 -0.00 -0.85 -2.60 115.22 111.02 1goy n HIS 101 Ca 0.09 0.67 0.00 0.00 -0.00 0.00 0.00 57.72 58.48 1goy n HIS 101 Cb 0.98 -3.80 0.00 0.00 -0.00 0.00 0.00 29.99 27.17 1goy n HIS 101 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1goy n TYR 102 N -4.28 0.00 0.16 1.57 4.02 -1.26 -4.93 117.16 112.44 1goy n TYR 102 Ca -0.23 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.52 1goy n TYR 102 Cb 0.65 -0.37 -0.08 0.00 -0.02 0.00 0.00 39.34 39.52 1goy n TYR 102 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1goy h ALA 103 N 0.00 -0.38 -2.27 -0.72 0.00 -1.93 -3.46 119.26 110.50 1goy h ALA 103 Ca 0.00 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.45 1goy h ALA 103 Cb 0.16 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 17.95 1goy h ALA 103 CO 0.00 -0.62 -0.71 0.95 0.00 0.00 0.00 179.25 178.86 1goy s THR 104 N -5.40 1.11 0.04 0.00 -4.23 -1.26 -5.10 115.64 100.80 1goy s THR 104 Ca -0.15 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.36 1goy s THR 104 Cb 0.03 -1.80 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 1goy s THR 104 CO 0.61 -0.75 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.50 1goy s PHE 105 N -3.29 0.69 -0.11 3.99 0.40 -1.26 -4.47 117.98 113.92 1goy s PHE 105 Ca 0.15 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 56.08 1goy s PHE 105 Cb 0.02 -0.41 0.01 0.00 0.51 0.00 0.00 43.02 43.16 1goy s PHE 105 CO -0.00 -0.06 -0.17 0.99 0.70 0.00 0.00 175.22 176.68 1goy s THR 106 N -1.14 1.62 0.03 0.64 2.01 0.13 -4.95 115.64 113.98 1goy s THR 106 Ca -0.07 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 1goy s THR 106 Cb -0.09 -1.46 -0.06 0.00 0.01 0.00 0.00 72.50 70.90 1goy s THR 106 CO 0.00 0.46 1.38 -0.60 -0.69 0.00 0.00 174.62 175.17 1goy s ARG 107 N 0.91 4.31 -0.00 4.92 3.52 -1.26 -0.76 118.95 130.58 1goy s ARG 107 Ca -0.08 1.97 0.02 0.00 -0.13 0.00 0.00 55.73 57.51 1goy s ARG 107 Cb -0.15 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 1goy s ARG 107 CO -0.01 -0.51 0.07 0.44 -0.81 0.00 0.00 175.30 174.48 1goy n ILE 108 N 4.42 0.00 -0.99 4.11 -5.35 -0.09 -4.95 119.36 116.51 1goy n ILE 108 Ca 0.12 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1goy n ILE 108 Cb 0.44 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 1goy n ILE 108 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33