#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 4.79 0.00 1.34 1.01 -1.26 -4.86 121.20 122.22 1goy s ILE 3 Ca 0.00 -1.86 0.04 0.00 0.00 0.00 0.00 60.65 58.83 1goy s ILE 3 Cb 0.00 -4.08 0.06 0.00 0.01 0.00 0.00 42.46 38.45 1goy s ILE 3 CO 0.00 -0.86 0.98 -0.46 0.00 0.00 0.00 174.94 174.60 1goy n ASN 4 N 4.80 0.12 -4.95 3.58 6.94 -1.26 -4.75 115.26 119.75 1goy n ASN 4 Ca -0.06 -1.92 -0.21 0.00 -0.02 0.00 0.00 54.58 52.37 1goy n ASN 4 Cb 0.41 -0.19 -0.02 0.00 -2.36 0.00 0.00 39.78 37.62 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 5.08 0.16 5.53 -4.23 -1.26 -1.12 115.64 119.80 1goy s THR 5 Ca 0.05 -1.06 -0.22 0.00 -1.18 0.00 0.00 61.69 59.27 1goy s THR 5 Cb 0.05 -3.77 0.06 0.00 1.34 0.00 0.00 72.50 70.19 1goy s THR 5 CO -0.02 -0.33 1.60 -0.26 -0.54 0.00 0.00 174.62 175.07 1goy h PHE 6 N 1.21 -0.83 -0.31 3.99 -1.00 -1.98 -0.61 116.94 117.41 1goy h PHE 6 Ca -0.51 0.05 -0.11 0.00 2.81 0.00 0.00 57.97 60.21 1goy h PHE 6 Cb 1.23 0.42 -0.01 0.00 3.61 0.00 0.00 35.95 41.21 1goy h PHE 6 CO 0.47 -0.37 -0.23 -0.44 -1.61 0.00 0.00 178.31 176.13 1goy h ASP 7 N -0.24 0.74 -0.48 2.17 5.19 -1.98 -1.64 116.42 120.18 1goy h ASP 7 Ca 0.17 -0.44 -0.01 0.00 -0.62 0.00 0.00 57.03 56.13 1goy h ASP 7 Cb 0.52 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 1goy h ASP 7 CO -0.52 1.02 0.25 1.23 -3.12 0.00 0.00 179.24 178.10 1goy h GLY 8 N 0.46 0.73 1.40 2.75 0.00 -1.89 -1.13 103.07 105.39 1goy h GLY 8 Ca 0.06 -0.35 -0.22 0.00 0.00 0.00 0.00 47.33 46.82 1goy h GLY 8 CO 0.06 0.33 -0.85 -2.08 0.00 0.00 0.00 176.54 174.00 1goy h VAL 9 N 0.63 1.34 0.03 4.60 2.07 -1.14 -2.39 116.25 121.39 1goy h VAL 9 Ca 0.17 -2.19 -0.00 0.00 0.82 0.00 0.00 66.70 65.50 1goy h VAL 9 Cb 0.09 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1goy h VAL 9 CO -0.02 0.67 -0.01 0.00 0.02 0.00 0.00 177.57 178.22 1goy h ALA 10 N 0.69 -0.04 -0.48 1.67 0.00 -1.10 0.18 119.26 120.17 1goy h ALA 10 Ca -0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1goy h ALA 10 Cb 1.47 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1goy h ALA 10 CO 0.16 -0.51 0.15 -0.44 0.00 0.00 0.00 179.25 178.61 1goy h ASP 11 N -0.07 0.65 -0.33 0.00 3.32 -1.25 -1.36 116.42 117.38 1goy h ASP 11 Ca -0.00 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 1goy h ASP 11 Cb 0.06 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1goy h ASP 11 CO 0.01 0.62 -0.11 0.22 -1.72 0.00 0.00 179.24 178.26 1goy h TYR 12 N 0.70 0.73 -0.26 4.55 3.20 -1.16 -1.36 116.97 123.38 1goy h TYR 12 Ca 0.16 -0.17 0.05 0.00 3.14 0.00 0.00 58.73 61.91 1goy h TYR 12 Cb 0.20 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 1goy h TYR 12 CO 0.01 0.83 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.26 1goy h LEU 13 N 0.42 -0.17 -0.49 2.82 3.38 -0.65 0.31 115.31 120.93 1goy h LEU 13 Ca 0.08 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1goy h LEU 13 Cb 0.61 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1goy h LEU 13 CO 0.04 -0.05 0.32 0.40 0.09 0.00 0.00 178.44 179.24 1goy h ILE 14 N 0.04 1.13 -0.19 1.22 1.08 -1.18 0.27 117.51 119.87 1goy h ILE 14 Ca 0.12 -0.25 -0.10 0.00 -0.39 0.00 0.00 64.86 64.25 1goy h ILE 14 Cb 0.18 0.42 -0.00 0.00 -3.07 0.00 0.00 36.82 34.34 1goy h ILE 14 CO -0.24 0.13 -0.27 -0.09 -0.69 0.00 0.00 178.15 176.99 1goy h ARG 15 N 0.66 0.52 0.00 2.37 2.43 -0.87 -3.38 114.38 116.11 1goy h ARG 15 Ca 0.18 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1goy h ARG 15 Cb -0.07 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1goy h ARG 15 CO -0.04 0.90 -0.76 0.66 -1.51 0.00 0.00 179.97 179.22 1goy n TYR 16 N -4.38 0.00 -1.37 2.20 4.01 0.11 -5.01 117.16 112.72 1goy n TYR 16 Ca -0.06 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.57 1goy n TYR 16 Cb 0.45 -0.07 -0.05 0.00 -0.31 0.00 0.00 39.34 39.37 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 -1.42 -0.79 -3.96 -0.72 4.76 0.93 -4.98 118.16 111.98 1goy n LYS 17 Ca 0.01 0.88 -0.09 0.00 -2.87 0.00 0.00 58.31 56.23 1goy n LYS 17 Cb 0.19 -4.86 -0.06 0.00 -1.84 0.00 0.00 35.03 28.46 1goy n LYS 17 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1goy s ARG 18 N -3.03 1.41 0.58 1.97 1.70 -1.26 -5.05 118.95 115.28 1goy s ARG 18 Ca 0.00 -1.19 -0.17 0.00 -0.47 0.00 0.00 55.73 53.91 1goy s ARG 18 Cb 0.00 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 1goy s ARG 18 CO 0.00 -0.57 1.07 -0.51 -1.08 0.00 0.00 175.30 174.21 1goy s LEU 19 N -2.99 3.55 1.12 -1.89 1.43 -1.26 -4.03 118.68 114.61 1goy s LEU 19 Ca 0.20 1.88 -0.12 0.00 -1.03 0.00 0.00 54.13 55.06 1goy s LEU 19 Cb 0.01 -4.54 0.26 0.00 0.03 0.00 0.00 46.19 41.94 1goy s LEU 19 CO 0.05 -1.17 1.05 -2.65 0.23 0.00 0.00 176.35 173.86 1goy n PRO 20 N -1.87 -2.04 0.08 1.29 -0.02 -1.26 -4.90 135.00 126.28 1goy n PRO 20 Ca 0.09 -0.56 0.06 0.00 -2.02 0.00 0.00 63.50 61.08 1goy n PRO 20 Cb 0.53 -2.22 0.31 0.00 -0.02 0.00 0.00 33.50 32.10 1goy n PRO 20 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1goy n ASN 21 N -4.84 0.29 -0.37 2.55 5.03 -1.26 -2.43 115.26 114.23 1goy n ASN 21 Ca 0.05 0.62 0.14 0.00 0.87 0.00 0.00 54.58 56.26 1goy n ASN 21 Cb 0.53 -0.66 0.59 0.00 -1.02 0.00 0.00 39.78 39.22 1goy n ASN 21 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1goy n ASP 22 N -1.88 1.13 -4.87 6.41 5.75 -1.26 -4.91 116.55 116.92 1goy n ASP 22 Ca -0.00 -1.42 -0.36 0.00 -0.01 0.00 0.00 54.79 53.00 1goy n ASP 22 Cb 0.05 -0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.07 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 -1.97 3.62 0.00 2.11 1.51 -1.02 -0.86 117.35 120.74 1goy s TYR 23 Ca 0.39 0.64 0.01 0.00 -1.01 0.00 0.00 57.07 57.10 1goy s TYR 23 Cb 0.20 -2.03 -0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1goy s TYR 23 CO 0.33 0.68 -0.03 0.96 -1.11 0.00 0.00 175.55 176.38 1goy s ILE 24 N -1.12 0.20 1.02 2.71 -4.36 0.45 -4.92 121.20 115.17 1goy s ILE 24 Ca 0.21 -0.21 -0.13 0.00 -0.26 0.00 0.00 60.65 60.26 1goy s ILE 24 Cb -0.13 -0.19 0.20 0.00 1.25 0.00 0.00 42.46 43.58 1goy s ILE 24 CO 0.10 -0.01 1.10 0.42 0.24 0.00 0.00 174.94 176.78 1goy s THR 25 N -0.23 1.98 0.16 8.37 -4.23 -1.20 -2.04 115.64 118.44 1goy s THR 25 Ca -0.01 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.34 1goy s THR 25 Cb -0.02 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.34 1goy s THR 25 CO -0.00 0.00 1.77 0.11 -0.54 0.00 0.00 174.62 175.95 1goy h LYS 26 N -1.95 0.33 -0.47 3.99 1.57 -1.98 -0.25 116.57 117.80 1goy h LYS 26 Ca -0.54 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.15 1goy h LYS 26 Cb 1.33 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 1goy h LYS 26 CO 0.57 0.22 0.03 0.66 -0.57 0.00 0.00 179.45 180.35 1goy h SER 27 N 0.34 0.71 -0.10 0.86 4.64 -1.98 0.14 113.55 118.16 1goy h SER 27 Ca 0.16 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1goy h SER 27 Cb 0.10 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1goy h SER 27 CO -0.14 0.77 0.05 -0.61 -0.87 0.00 0.00 176.83 176.03 1goy h GLN 28 N 0.71 0.15 -0.46 4.77 5.75 -1.85 -0.84 115.11 123.34 1goy h GLN 28 Ca 0.15 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.66 1goy h GLN 28 Cb 0.40 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.88 1goy h GLN 28 CO 0.01 0.20 0.24 0.00 -2.65 0.00 0.00 178.83 176.64 1goy h ALA 29 N 0.94 0.58 -0.73 3.38 0.00 -0.73 -2.20 119.26 120.50 1goy h ALA 29 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1goy h ALA 29 Cb 0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1goy h ALA 29 CO -0.01 -0.10 0.47 0.77 0.00 0.00 0.00 179.25 180.39 1goy h SER 30 N 0.49 0.86 -0.06 0.00 0.02 -0.62 -1.57 113.55 112.66 1goy h SER 30 Ca 0.19 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1goy h SER 30 Cb 0.08 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 1goy h SER 30 CO -0.12 0.64 0.03 0.00 -1.14 0.00 0.00 176.83 176.24 1goy h ALA 31 N 1.25 1.90 -0.00 3.77 0.00 -0.84 -2.10 119.26 123.25 1goy h ALA 31 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1goy h ALA 31 Cb -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1goy h ALA 31 CO -0.05 0.08 -0.08 1.28 0.00 0.00 0.00 179.25 180.48 1goy n LEU 32 N -4.50 0.25 0.00 0.00 4.77 -0.83 -4.92 117.00 111.77 1goy n LEU 32 Ca -0.02 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1goy n LEU 32 Cb 0.10 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1goy n LEU 32 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1goy n GLY 33 N 1.32 0.87 3.74 -0.72 0.00 -0.79 -4.86 105.19 104.75 1goy n GLY 33 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1goy n GLY 33 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1goy s TRP 34 N -2.00 3.21 -0.09 1.61 -0.00 -0.66 -4.99 118.94 116.02 1goy s TRP 34 Ca 0.00 1.21 0.01 0.00 -0.00 0.00 0.00 56.10 57.32 1goy s TRP 34 Cb 0.00 -3.64 0.02 0.00 -0.00 0.00 0.00 33.47 29.85 1goy s TRP 34 CO 0.00 -2.00 -0.12 0.14 -0.00 0.00 0.00 176.95 174.97 1goy s VAL 35 N -0.00 1.24 -0.21 5.86 -7.23 -1.26 -4.30 120.40 114.50 1goy s VAL 35 Ca 0.56 -0.49 -0.35 0.00 -1.81 0.00 0.00 61.98 59.90 1goy s VAL 35 Cb -0.38 -1.16 -0.11 0.00 0.56 0.00 0.00 36.38 35.29 1goy s VAL 35 CO 0.40 0.39 2.00 0.00 -0.31 0.00 0.00 175.10 177.58 1goy n ALA 36 N 4.23 0.91 0.00 1.32 0.00 -1.26 -2.05 120.51 123.67 1goy n ALA 36 Ca -0.19 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1goy n ALA 36 Cb 0.51 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1goy n ALA 36 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1goy n SER 37 N 8.08 0.00 0.14 0.00 7.64 -1.26 -4.92 113.62 123.30 1goy n SER 37 Ca 0.30 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.20 1goy n SER 37 Cb 0.27 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.50 1goy n SER 37 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1goy h LYS 38 N 1.77 0.00 -4.31 1.43 1.57 -1.86 -3.48 116.57 111.69 1goy h LYS 38 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1goy h LYS 38 Cb 0.00 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.38 1goy h LYS 38 CO 0.00 0.52 -0.56 0.41 -0.57 0.00 0.00 179.45 179.25 1goy n GLY 39 N 1.21 -0.39 0.89 3.86 0.00 -1.25 -4.93 105.19 104.57 1goy n GLY 39 Ca 0.02 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.17 2.85 -0.32 1.61 3.85 -1.26 -3.99 116.55 117.11 1goy n ASP 40 Ca -0.08 -1.92 0.04 0.00 -0.71 0.00 0.00 54.79 52.12 1goy n ASP 40 Cb 0.60 0.04 0.12 0.00 -1.35 0.00 0.00 41.12 40.53 1goy n ASP 40 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1goy h LEU 41 N 4.35 -0.85 -1.72 -2.12 5.85 -1.92 0.66 115.31 119.55 1goy h LEU 41 Ca 0.00 0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1goy h LEU 41 Cb 0.94 0.57 -0.00 0.00 0.37 0.00 0.00 40.66 42.54 1goy h LEU 41 CO 0.00 -0.30 -0.15 0.00 -0.34 0.00 0.00 178.44 177.65 1goy h ALA 42 N 1.90 1.23 0.04 1.25 0.00 -1.85 0.46 119.26 122.30 1goy h ALA 42 Ca 0.44 -0.14 -0.28 0.00 0.00 0.00 0.00 54.91 54.92 1goy h ALA 42 Cb 0.66 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1goy h ALA 42 CO -0.94 0.19 -1.52 0.93 0.00 0.00 0.00 179.25 177.92 1goy h GLU 43 N 0.00 0.09 0.00 0.00 3.07 -1.25 -3.04 114.58 113.45 1goy h GLU 43 Ca -0.00 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.70 1goy h GLU 43 Cb 0.43 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1goy h GLU 43 CO 0.02 0.84 -0.96 -0.39 -1.40 0.00 0.00 179.01 177.12 1goy h VAL 44 N 0.02 0.02 -1.49 3.13 -1.51 -1.04 -3.41 116.25 111.99 1goy h VAL 44 Ca -0.22 -1.05 -0.45 0.00 -1.23 0.00 0.00 66.70 63.75 1goy h VAL 44 Cb 1.96 1.55 -0.33 0.00 -2.13 0.00 0.00 31.29 32.34 1goy h VAL 44 CO 0.11 0.01 -0.97 0.00 -1.23 0.00 0.00 177.57 175.50 1goy n ALA 45 N -2.18 1.38 -1.64 5.19 0.00 0.12 -4.91 120.51 118.47 1goy n ALA 45 Ca -0.00 -2.89 -0.48 0.00 0.00 0.00 0.00 53.44 50.07 1goy n ALA 45 Cb 0.56 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 1goy n ALA 45 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1goy n PRO 46 N 1.02 1.72 -1.00 0.00 -0.02 -1.15 -1.99 135.00 133.58 1goy n PRO 46 Ca 0.19 0.62 -0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1goy n PRO 46 Cb 0.60 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1goy n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1goy n GLY 47 N 2.86 0.41 3.85 -1.23 0.00 -1.26 -5.03 105.19 104.79 1goy n GLY 47 Ca 0.17 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.38 3.06 0.10 1.61 -0.14 -0.84 -4.84 119.74 118.31 1goy s LYS 48 Ca 0.00 -0.83 0.05 0.00 -1.36 0.00 0.00 55.97 53.83 1goy s LYS 48 Cb 0.00 -2.72 -0.03 0.00 -1.68 0.00 0.00 37.83 33.39 1goy s LYS 48 CO 0.00 0.48 -0.14 -1.12 -0.76 0.00 0.00 175.35 173.81 1goy s SER 49 N -3.30 1.80 0.09 2.83 0.01 -0.04 -4.84 113.70 110.25 1goy s SER 49 Ca 0.32 -0.73 -0.26 0.00 1.31 0.00 0.00 55.95 56.59 1goy s SER 49 Cb -0.10 -0.05 -0.06 0.00 0.21 0.00 0.00 66.02 66.02 1goy s SER 49 CO 0.25 -0.13 0.80 -0.63 0.41 0.00 0.00 173.24 173.94 1goy s ILE 50 N -1.82 4.59 0.00 1.44 1.01 -1.26 -0.42 121.20 124.74 1goy s ILE 50 Ca 0.04 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.41 1goy s ILE 50 Cb -0.07 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1goy s ILE 50 CO 0.02 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.98 1goy n GLY 51 N 2.14 0.76 0.00 6.18 0.00 -0.87 -0.52 105.19 112.88 1goy n GLY 51 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1goy n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1goy n GLY 52 N -0.02 1.01 3.83 -0.02 0.00 0.12 -3.26 105.19 106.85 1goy n GLY 52 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.95 5.32 0.14 1.61 1.01 -1.24 -4.73 116.67 116.82 1goy s ASP 53 Ca 0.00 1.45 -0.31 0.00 0.71 0.00 0.00 52.55 54.40 1goy s ASP 53 Cb 0.00 -2.31 -0.09 0.00 1.01 0.00 0.00 42.92 41.53 1goy s ASP 53 CO 0.00 -1.46 1.45 -0.69 0.21 0.00 0.00 175.17 174.68 1goy s VAL 54 N -3.13 3.04 -0.27 -1.27 1.01 -1.26 -1.50 120.40 117.02 1goy s VAL 54 Ca 0.58 0.76 -0.07 0.00 0.00 0.00 0.00 61.98 63.25 1goy s VAL 54 Cb -0.13 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1goy s VAL 54 CO 0.54 0.06 0.07 0.12 0.00 0.00 0.00 175.10 175.90 1goy s PHE 55 N 1.00 3.11 0.12 5.22 5.36 0.43 -4.79 117.98 128.43 1goy s PHE 55 Ca 0.66 -0.66 0.20 0.00 -0.96 0.00 0.00 56.93 56.16 1goy s PHE 55 Cb -0.39 -2.25 0.69 0.00 -0.34 0.00 0.00 43.02 40.72 1goy s PHE 55 CO 0.32 -0.46 1.73 0.77 -1.46 0.00 0.00 175.22 176.12 1goy h SER 56 N 8.24 0.00 -5.99 6.13 0.02 -1.95 -3.33 113.55 116.67 1goy h SER 56 Ca -0.36 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.18 1goy h SER 56 Cb 1.15 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.77 1goy h SER 56 CO 0.59 0.34 -0.75 -3.20 -1.14 0.00 0.00 176.83 172.67 1goy n ASN 57 N -3.46 -3.99 -0.14 3.07 5.15 -1.26 -4.90 115.26 109.72 1goy n ASN 57 Ca 0.00 -0.68 0.01 0.00 -0.60 0.00 0.00 54.58 53.31 1goy n ASN 57 Cb 0.51 -4.53 0.28 0.00 -0.53 0.00 0.00 39.78 35.50 1goy n ASN 57 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1goy h ARG 58 N -2.20 0.83 -0.00 1.20 3.08 -2.01 -2.18 114.38 113.10 1goy h ARG 58 Ca -0.59 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.39 1goy h ARG 58 Cb 1.36 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1goy h ARG 58 CO 0.58 0.60 -0.03 0.39 -1.07 0.00 0.00 179.97 180.44 1goy n GLU 59 N -4.39 0.46 -1.89 0.04 4.71 -1.26 -4.95 120.64 113.36 1goy n GLU 59 Ca 0.06 -0.05 -0.18 0.00 -0.01 0.00 0.00 57.16 56.98 1goy n GLU 59 Cb 0.09 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 28.97 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 1.30 0.84 0.01 0.62 0.00 -0.82 -4.89 105.19 102.25 1goy n GLY 60 Ca 0.14 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.59 0.02 -4.34 1.61 1.74 -1.26 -4.76 116.66 107.08 1goy n ARG 61 Ca -0.20 0.10 -0.27 0.00 -0.77 0.00 0.00 57.85 56.71 1goy n ARG 61 Cb 0.63 -1.52 -0.10 0.00 -1.02 0.00 0.00 32.46 30.44 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 -3.11 2.76 0.28 0.55 1.43 -1.26 -4.94 118.68 114.39 1goy s LEU 62 Ca 0.11 -0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 52.25 1goy s LEU 62 Cb 0.16 -1.48 -0.10 0.00 0.03 0.00 0.00 46.19 44.79 1goy s LEU 62 CO 0.45 0.12 1.40 -2.16 0.23 0.00 0.00 176.35 176.39 1goy s PRO 63 N -2.70 4.28 0.12 1.29 0.04 -1.26 -5.03 135.00 131.75 1goy s PRO 63 Ca 0.23 2.29 0.04 0.00 0.04 0.00 0.00 61.00 63.60 1goy s PRO 63 Cb -0.09 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 1goy s PRO 63 CO 0.13 -0.35 0.10 -1.54 0.04 0.00 0.00 177.00 175.37 1goy s SER 64 N 0.07 5.46 -0.23 6.66 1.04 -1.26 -5.10 113.70 120.33 1goy s SER 64 Ca 0.56 -0.09 -0.12 0.00 0.48 0.00 0.00 55.95 56.77 1goy s SER 64 Cb -0.41 -1.43 0.08 0.00 0.10 0.00 0.00 66.02 64.36 1goy s SER 64 CO 0.48 0.12 0.56 0.00 0.98 0.00 0.00 173.24 175.37 1goy s ALA 65 N -1.56 -1.51 -0.36 5.32 0.00 -1.26 -5.06 121.76 117.32 1goy s ALA 65 Ca 0.30 2.00 -0.34 0.00 0.00 0.00 0.00 51.96 53.92 1goy s ALA 65 Cb -0.11 -1.25 -0.15 0.00 0.00 0.00 0.00 23.12 21.62 1goy s ALA 65 CO 0.22 -0.40 1.16 0.41 0.00 0.00 0.00 175.76 177.15 1goy n GLY 66 N 4.45 0.13 2.06 0.00 0.00 -1.26 0.12 105.19 110.69 1goy n GLY 66 Ca -0.20 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1goy n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1goy n SER 67 N 2.89 0.00 -4.67 1.61 3.41 -1.26 -5.03 113.62 110.57 1goy n SER 67 Ca 0.22 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.42 1goy n SER 67 Cb -0.04 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 1goy n SER 67 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1goy s ARG 68 N -0.37 4.30 0.33 4.33 3.52 0.32 -4.96 118.95 126.42 1goy s ARG 68 Ca 0.00 1.12 0.09 0.00 -0.13 0.00 0.00 55.73 56.82 1goy s ARG 68 Cb 0.00 -3.59 -0.06 0.00 -1.56 0.00 0.00 34.95 29.75 1goy s ARG 68 CO 0.00 -0.39 -0.03 0.95 -0.81 0.00 0.00 175.30 175.02 1goy s THR 69 N 2.35 2.53 0.07 4.11 -4.23 -1.26 -4.67 115.64 114.55 1goy s THR 69 Ca 0.40 -2.07 0.06 0.00 -1.18 0.00 0.00 61.69 58.91 1goy s THR 69 Cb -0.16 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 1goy s THR 69 CO 0.12 -0.22 -0.16 0.26 -0.54 0.00 0.00 174.62 174.08 1goy s TRP 70 N -2.54 1.33 0.17 3.99 0.52 -1.25 -0.85 118.94 120.30 1goy s TRP 70 Ca 0.34 -0.43 0.06 0.00 0.02 0.00 0.00 56.10 56.08 1goy s TRP 70 Cb 0.00 -0.75 -0.04 0.00 -1.15 0.00 0.00 33.47 31.52 1goy s TRP 70 CO 0.18 0.08 -0.12 1.03 0.02 0.00 0.00 176.95 178.15 1goy s ARG 71 N -1.67 1.15 0.19 4.98 0.52 -0.26 -0.42 118.95 123.43 1goy s ARG 71 Ca 0.00 -1.49 0.06 0.00 -0.52 0.00 0.00 55.73 53.78 1goy s ARG 71 Cb -0.10 -0.79 -0.05 0.00 0.52 0.00 0.00 34.95 34.54 1goy s ARG 71 CO 0.02 0.11 -0.11 -1.83 0.02 0.00 0.00 175.30 173.52 1goy s GLU 72 N -3.70 1.22 -0.12 3.54 4.04 -0.56 -1.24 118.70 121.88 1goy s GLU 72 Ca 0.18 -1.55 -0.11 0.00 0.04 0.00 0.00 54.97 53.53 1goy s GLU 72 Cb 0.01 -0.85 0.03 0.00 0.02 0.00 0.00 34.13 33.35 1goy s GLU 72 CO 0.03 0.10 0.33 0.00 -1.84 0.00 0.00 175.26 173.87 1goy s ALA 73 N -3.18 -0.80 0.33 -0.84 0.00 -0.46 0.13 121.76 116.94 1goy s ALA 73 Ca 0.21 0.91 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 1goy s ALA 73 Cb 0.02 -0.53 -0.10 0.00 0.00 0.00 0.00 23.12 22.51 1goy s ALA 73 CO 0.05 -0.16 1.27 -0.51 0.00 0.00 0.00 175.76 176.41 1goy s ASP 74 N 0.15 6.83 0.07 0.00 1.11 0.32 -1.17 116.67 123.98 1goy s ASP 74 Ca -0.00 2.60 0.09 0.00 0.18 0.00 0.00 52.55 55.42 1goy s ASP 74 Cb -0.02 -2.64 -0.03 0.00 1.07 0.00 0.00 42.92 41.29 1goy s ASP 74 CO 0.00 -0.49 -0.23 -0.63 1.18 0.00 0.00 175.17 175.01 1goy s ILE 75 N -1.16 2.44 -1.60 0.77 -1.09 0.11 -4.72 121.20 115.96 1goy s ILE 75 Ca 0.49 -1.41 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 1goy s ILE 75 Cb -0.38 -2.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.48 1goy s ILE 75 CO 0.50 0.28 0.00 0.59 -1.23 0.00 0.00 174.94 175.08 1goy n ASN 76 N 1.44 -4.43 -4.77 3.58 3.02 -0.28 -4.51 115.26 109.31 1goy n ASN 76 Ca -0.17 0.30 -0.39 0.00 -0.03 0.00 0.00 54.58 54.29 1goy n ASN 76 Cb 0.52 -3.92 -0.03 0.00 -0.61 0.00 0.00 39.78 35.74 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 -2.52 3.27 0.17 3.10 5.04 -1.26 -4.94 117.35 120.21 1goy s TYR 77 Ca 0.00 1.61 0.00 0.00 -2.44 0.00 0.00 57.07 56.24 1goy s TYR 77 Cb 0.00 -3.32 0.00 0.00 0.35 0.00 0.00 41.96 38.99 1goy s TYR 77 CO 0.00 -0.96 0.00 0.28 -1.34 0.00 0.00 175.55 173.53 1goy n VAL 78 N 0.42 0.47 -3.85 3.14 0.31 -1.26 -4.98 118.33 112.57 1goy n VAL 78 Ca 0.03 0.15 -0.07 0.00 -0.01 0.00 0.00 64.34 64.44 1goy n VAL 78 Cb 0.46 -0.90 -0.02 0.00 -0.91 0.00 0.00 33.84 32.48 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 -5.28 -0.23 0.00 4.52 1.04 -1.26 -4.73 113.70 107.75 1goy s SER 79 Ca 0.00 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1goy s SER 79 Cb 0.00 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1goy s SER 79 CO 0.00 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 173.47 1goy n GLY 80 N -0.47 -1.04 3.74 7.32 0.00 -1.26 -4.86 105.19 108.63 1goy n GLY 80 Ca -0.04 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 2.81 0.52 1.61 0.40 -1.26 -4.56 117.98 117.51 1goy s PHE 81 Ca 0.00 0.74 -0.22 0.00 -0.60 0.00 0.00 56.93 56.85 1goy s PHE 81 Cb 0.00 -4.05 -0.06 0.00 0.51 0.00 0.00 43.02 39.42 1goy s PHE 81 CO 0.00 -3.59 1.22 0.54 0.70 0.00 0.00 175.22 174.09 1goy n ARG 82 N 2.53 1.53 -0.21 0.44 1.74 -1.26 -5.01 116.66 116.42 1goy n ARG 82 Ca 0.09 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.74 1goy n ARG 82 Cb 0.37 -2.40 0.00 0.00 -1.02 0.00 0.00 32.46 29.41 1goy n ARG 82 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1goy n ASN 83 N -0.58 0.00 -0.96 0.55 0.23 -1.26 -5.04 115.26 108.20 1goy n ASN 83 Ca 0.10 -0.37 0.08 0.00 -0.53 0.00 0.00 54.58 53.86 1goy n ASN 83 Cb 0.44 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.39 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 2.81 -2.64 -2.53 0.00 -1.26 -4.99 120.51 108.90 1goy n ALA 84 Ca 0.00 -1.85 -0.39 0.00 0.00 0.00 0.00 53.44 51.20 1goy n ALA 84 Cb 0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.46 6.45 0.01 0.00 1.01 -1.26 -1.68 116.67 119.74 1goy s ASP 85 Ca 0.38 0.54 -0.00 0.00 0.71 0.00 0.00 52.55 54.18 1goy s ASP 85 Cb 0.28 -2.26 -0.01 0.00 1.01 0.00 0.00 42.92 41.94 1goy s ASP 85 CO 0.13 -0.19 -0.00 -0.13 0.21 0.00 0.00 175.17 175.19 1goy s ARG 86 N 1.82 0.17 -0.18 8.23 1.81 -0.42 -0.71 118.95 129.67 1goy s ARG 86 Ca 0.21 -0.29 -0.09 0.00 -1.72 0.00 0.00 55.73 53.84 1goy s ARG 86 Cb -0.15 0.06 -0.05 0.00 -0.45 0.00 0.00 34.95 34.36 1goy s ARG 86 CO 0.09 -0.03 0.11 -1.17 -0.68 0.00 0.00 175.30 173.62 1goy s LEU 87 N -0.73 4.10 -0.11 2.53 2.96 -0.31 -0.98 118.68 126.13 1goy s LEU 87 Ca -0.08 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1goy s LEU 87 Cb -0.05 -2.04 -0.00 0.00 0.50 0.00 0.00 46.19 44.59 1goy s LEU 87 CO -0.00 0.21 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.35 1goy s VAL 88 N 0.16 2.39 -0.01 1.68 1.01 0.93 -1.35 120.40 125.20 1goy s VAL 88 Ca 0.08 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1goy s VAL 88 Cb -0.12 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 1goy s VAL 88 CO -0.01 0.55 -0.05 -0.72 0.00 0.00 0.00 175.10 174.87 1goy s TYR 89 N 0.41 0.46 0.38 5.22 -0.85 -0.37 -0.49 117.35 122.11 1goy s TYR 89 Ca -0.15 -0.09 0.02 0.00 -0.52 0.00 0.00 57.07 56.33 1goy s TYR 89 Cb -0.17 -0.31 -0.01 0.00 0.38 0.00 0.00 41.96 41.84 1goy s TYR 89 CO 0.07 -0.02 0.58 -1.54 -1.52 0.00 0.00 175.55 173.11 1goy s SER 90 N -0.03 6.03 0.56 -0.18 1.04 -0.53 -1.11 113.70 119.48 1goy s SER 90 Ca 0.01 0.23 0.24 0.00 0.48 0.00 0.00 55.95 56.92 1goy s SER 90 Cb -0.03 -1.65 1.58 0.00 0.10 0.00 0.00 66.02 66.02 1goy s SER 90 CO -0.00 -0.49 2.18 0.77 0.98 0.00 0.00 173.24 176.68 1goy h SER 91 N 0.64 0.00 -0.51 7.02 4.64 -1.35 -0.61 113.55 123.39 1goy h SER 91 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1goy h SER 91 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1goy h SER 91 CO 0.58 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.64 1goy n ASP 92 N -4.12 4.80 -1.73 4.97 3.85 -1.26 -4.98 116.55 118.08 1goy n ASP 92 Ca -0.02 -2.68 -0.16 0.00 -0.71 0.00 0.00 54.79 51.22 1goy n ASP 92 Cb 0.15 -0.63 -0.02 0.00 -1.35 0.00 0.00 41.12 39.28 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 0.64 -0.63 -2.59 2.11 7.02 -0.24 -5.02 117.44 118.73 1goy n TRP 93 Ca 0.23 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.32 1goy n TRP 93 Cb 0.99 -3.21 -0.05 0.00 -2.42 0.00 0.00 31.31 26.62 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 -4.46 4.47 -0.07 -0.99 1.43 -1.26 -4.85 118.68 112.95 1goy s LEU 94 Ca 0.00 2.10 -0.00 0.00 -1.03 0.00 0.00 54.13 55.20 1goy s LEU 94 Cb 0.00 -3.78 0.02 0.00 0.03 0.00 0.00 46.19 42.47 1goy s LEU 94 CO 0.00 -0.13 -0.03 -0.63 0.23 0.00 0.00 176.35 175.79 1goy s ILE 95 N -1.32 0.57 0.10 -0.59 1.01 -1.26 -1.46 121.20 118.26 1goy s ILE 95 Ca 0.47 -0.05 0.10 0.00 0.00 0.00 0.00 60.65 61.17 1goy s ILE 95 Cb -0.27 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 1goy s ILE 95 CO 0.34 0.27 -0.26 -0.31 0.00 0.00 0.00 174.94 174.98 1goy s TYR 96 N 1.52 2.25 0.10 3.97 1.51 0.36 -0.57 117.35 126.48 1goy s TYR 96 Ca -0.01 -0.39 0.07 0.00 -1.01 0.00 0.00 57.07 55.72 1goy s TYR 96 Cb -0.13 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.42 1goy s TYR 96 CO -0.04 0.26 -0.10 -1.59 -1.11 0.00 0.00 175.55 172.97 1goy s LYS 97 N -1.79 2.15 -0.02 -0.62 -2.85 0.85 -0.05 119.74 117.40 1goy s LYS 97 Ca 0.12 -1.01 0.01 0.00 -1.00 0.00 0.00 55.97 54.10 1goy s LYS 97 Cb -0.10 -2.31 0.01 0.00 -2.06 0.00 0.00 37.83 33.37 1goy s LYS 97 CO 0.05 0.51 -0.02 -0.08 0.10 0.00 0.00 175.35 175.91 1goy s THR 98 N -1.19 0.28 -0.49 3.79 -1.32 -0.15 -0.59 115.64 115.96 1goy s THR 98 Ca 0.21 -0.05 0.14 0.00 -1.21 0.00 0.00 61.69 60.78 1goy s THR 98 Cb -0.11 -0.31 0.41 0.00 -1.51 0.00 0.00 72.50 70.98 1goy s THR 98 CO 0.13 0.13 1.33 0.35 -2.21 0.00 0.00 174.62 174.35 1goy n THR 99 N 3.66 1.68 -2.60 5.08 -2.24 -1.26 -1.30 114.28 117.30 1goy n THR 99 Ca -0.21 -1.48 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 1goy n THR 99 Cb 0.54 0.10 0.04 0.00 -2.10 0.00 0.00 70.33 68.91 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 -0.09 1.58 -3.50 3.42 3.85 -1.20 -4.62 116.55 115.99 1goy n ASP 100 Ca 0.16 -2.21 -0.22 0.00 -0.71 0.00 0.00 54.79 51.81 1goy n ASP 100 Cb 0.66 -0.41 0.06 0.00 -1.35 0.00 0.00 41.12 40.08 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 -0.22 -2.15 -1.14 2.11 -0.00 -0.68 -2.68 115.22 110.47 1goy n HIS 101 Ca 0.10 0.74 -0.05 0.00 -0.00 0.00 0.00 57.72 58.51 1goy n HIS 101 Cb 0.94 -4.07 -0.02 0.00 -0.00 0.00 0.00 29.99 26.84 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 -3.84 0.00 0.02 1.57 4.02 -1.26 -4.89 117.16 112.78 1goy n TYR 102 Ca -0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.61 1goy n TYR 102 Cb 0.63 -1.53 -0.09 0.00 -0.02 0.00 0.00 39.34 38.33 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 -0.10 -3.47 -0.72 0.00 -1.93 -3.46 119.26 109.58 1goy h ALA 103 Ca -0.10 -0.25 -0.41 0.00 0.00 0.00 0.00 54.91 54.16 1goy h ALA 103 Cb 0.63 0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.24 1goy h ALA 103 CO 0.14 -0.29 -0.78 0.95 0.00 0.00 0.00 179.25 179.28 1goy s THR 104 N -3.98 1.05 0.16 0.00 -4.23 -1.26 -5.10 115.64 102.28 1goy s THR 104 Ca -0.15 -1.21 0.10 0.00 -1.18 0.00 0.00 61.69 59.26 1goy s THR 104 Cb 0.01 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 1goy s THR 104 CO 0.61 -0.19 -0.23 -0.36 -0.54 0.00 0.00 174.62 173.91 1goy s PHE 105 N -1.18 2.14 -0.06 3.99 0.40 -1.26 -4.38 117.98 117.64 1goy s PHE 105 Ca -0.02 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 55.94 1goy s PHE 105 Cb -0.09 -1.10 0.02 0.00 0.51 0.00 0.00 43.02 42.35 1goy s PHE 105 CO 0.02 0.39 -0.10 0.99 0.70 0.00 0.00 175.22 177.23 1goy s THR 106 N -1.54 0.95 0.14 0.64 2.01 0.24 -4.97 115.64 113.11 1goy s THR 106 Ca 0.16 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 1goy s THR 106 Cb -0.08 -0.89 -0.07 0.00 0.01 0.00 0.00 72.50 71.46 1goy s THR 106 CO 0.08 0.32 1.15 -0.60 -0.69 0.00 0.00 174.62 174.87 1goy s ARG 107 N 0.78 4.52 0.00 4.92 3.52 -1.26 -0.11 118.95 131.32 1goy s ARG 107 Ca -0.13 1.76 0.00 0.00 -0.13 0.00 0.00 55.73 57.23 1goy s ARG 107 Cb -0.15 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 1goy s ARG 107 CO 0.02 -0.06 0.00 0.44 -0.81 0.00 0.00 175.30 174.89 1goy n ILE 108 N 2.88 0.00 -0.76 4.11 -5.35 0.26 -4.92 119.36 115.59 1goy n ILE 108 Ca 0.05 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1goy n ILE 108 Cb 0.46 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 1goy n ILE 108 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33