#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aro s LYS 20 N 0.00 4.66 -0.54 -0.14 2.20 -1.26 -5.04 119.74 119.62 2aro s LYS 20 Ca 0.00 1.29 -0.29 0.00 -0.36 0.00 0.00 55.97 56.62 2aro s LYS 20 Cb 0.00 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 33.04 2aro s LYS 20 CO 0.00 0.42 1.18 0.08 -0.36 0.00 0.00 175.35 176.67 2aro s VAL 21 N -0.66 4.08 0.13 4.02 1.01 -1.26 -5.01 120.40 122.70 2aro s VAL 21 Ca 0.40 1.02 -0.30 0.00 0.00 0.00 0.00 61.98 63.10 2aro s VAL 21 Cb -0.23 -4.67 -0.06 0.00 0.00 0.00 0.00 36.38 31.41 2aro s VAL 21 CO 0.28 -1.21 1.05 -0.76 0.00 0.00 0.00 175.10 174.46 2aro s LEU 22 N 4.81 4.47 -0.01 3.92 1.43 -1.26 -5.04 118.68 127.00 2aro s LEU 22 Ca 0.45 1.94 -0.02 0.00 -1.03 0.00 0.00 54.13 55.47 2aro s LEU 22 Cb -0.07 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.55 2aro s LEU 22 CO 0.28 -0.19 0.04 0.00 0.23 0.00 0.00 176.35 176.72 2aro s ARG 23 N 0.00 0.20 -1.22 1.70 1.70 -1.26 -4.95 118.95 115.12 2aro s ARG 23 Ca 0.50 -0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.56 2aro s ARG 23 Cb -0.27 0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.20 2aro s ARG 23 CO 0.32 -0.04 0.00 -0.25 -1.08 0.00 0.00 175.30 174.25 2aro n ASP 24 N 2.38 -4.31 0.10 -2.89 8.00 -1.26 -4.90 116.55 113.68 2aro n ASP 24 Ca -0.17 0.22 0.11 0.00 0.71 0.00 0.00 54.79 55.66 2aro n ASP 24 Cb 0.58 -3.03 0.46 0.00 -0.02 0.00 0.00 41.12 39.10 2aro n ASP 24 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2aro n ASN 25 N -0.04 0.57 0.17 -2.24 3.02 -1.26 -2.05 115.26 113.43 2aro n ASN 25 Ca -0.13 0.62 0.16 0.00 -0.03 0.00 0.00 54.58 55.20 2aro n ASN 25 Cb 0.45 -0.75 0.75 0.00 -0.61 0.00 0.00 39.78 39.62 2aro n ASN 25 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2aro h ILE 26 N 0.00 0.67 0.00 2.41 6.09 -1.98 -0.20 117.51 124.49 2aro h ILE 26 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2aro h ILE 26 Cb 0.40 0.86 0.00 0.00 0.47 0.00 0.00 36.82 38.55 2aro h ILE 26 CO 0.00 0.00 0.00 1.56 -3.07 0.00 0.00 178.15 176.64 2aro h GLN 27 N 0.00 0.00 0.00 2.19 1.08 -1.82 -1.26 115.11 115.30 2aro h GLN 27 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2aro h GLN 27 Cb 0.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2aro h GLN 27 CO -0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 2aro n GLY 28 N -0.05 -1.07 3.50 3.46 0.00 -0.09 -4.14 105.19 106.80 2aro n GLY 28 Ca 0.01 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2aro n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aro s ILE 29 N -3.06 4.32 0.63 -0.61 -1.09 -0.48 -5.01 121.20 115.90 2aro s ILE 29 Ca 0.07 -1.14 -0.06 0.00 -2.23 0.00 0.00 60.65 57.29 2aro s ILE 29 Cb 0.10 -4.92 0.03 0.00 -1.58 0.00 0.00 42.46 36.09 2aro s ILE 29 CO 0.30 -1.72 0.94 0.42 -1.23 0.00 0.00 174.94 173.65 2aro s THR 30 N 3.85 3.20 0.14 2.92 -4.23 -1.26 -4.85 115.64 115.40 2aro s THR 30 Ca 0.39 -0.09 -0.26 0.00 -1.18 0.00 0.00 61.69 60.55 2aro s THR 30 Cb -0.03 -3.30 -0.02 0.00 1.34 0.00 0.00 72.50 70.49 2aro s THR 30 CO -0.09 -0.31 1.61 0.50 -0.54 0.00 0.00 174.62 175.78 2aro h LYS 31 N -0.31 -0.38 -0.97 3.99 3.64 -1.95 -1.26 116.57 119.33 2aro h LYS 31 Ca -0.45 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.06 2aro h LYS 31 Cb 1.28 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 33.10 2aro h LYS 31 CO 0.60 -0.25 0.61 -1.00 -2.27 0.00 0.00 179.45 177.14 2aro h PRO 32 N -0.39 0.98 0.05 1.90 0.13 -1.99 -0.09 132.00 132.58 2aro h PRO 32 Ca 0.10 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2aro h PRO 32 Cb 0.55 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 31.46 2aro h PRO 32 CO -0.36 0.65 -0.03 0.00 -0.23 0.00 0.00 178.00 178.03 2aro h ALA 33 N 1.50 -0.07 -0.88 -0.56 0.00 -1.84 -0.72 119.26 116.69 2aro h ALA 33 Ca 0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2aro h ALA 33 Cb 0.38 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2aro h ALA 33 CO -0.24 -0.54 0.50 0.82 0.00 0.00 0.00 179.25 179.79 2aro h ILE 34 N -0.07 1.25 -0.53 0.00 2.04 -0.94 -1.68 117.51 117.58 2aro h ILE 34 Ca -0.00 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 2aro h ILE 34 Cb 0.06 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 2aro h ILE 34 CO 0.01 0.27 0.12 -0.09 0.00 0.00 0.00 178.15 178.46 2aro h ARG 35 N 1.22 0.84 -0.72 2.37 2.43 -0.79 -1.30 114.38 118.43 2aro h ARG 35 Ca 0.31 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2aro h ARG 35 Cb -0.01 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 2aro h ARG 35 CO -0.05 0.81 0.36 0.00 -1.51 0.00 0.00 179.97 179.58 2aro h ARG 36 N 0.74 1.02 -0.60 0.20 3.08 -0.56 -0.54 114.38 117.72 2aro h ARG 36 Ca 0.16 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 60.12 2aro h ARG 36 Cb 0.35 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 2aro h ARG 36 CO 0.00 0.79 0.33 -0.07 -1.07 0.00 0.00 179.97 179.96 2aro h LEU 37 N 1.00 0.50 -0.56 3.04 3.38 -1.08 -1.49 115.31 120.10 2aro h LEU 37 Ca 0.25 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 2aro h LEU 37 Cb 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2aro h LEU 37 CO -0.03 0.33 -0.37 0.00 0.09 0.00 0.00 178.44 178.46 2aro h ALA 38 N 1.31 0.74 -0.24 1.53 0.00 -0.85 -1.01 119.26 120.74 2aro h ALA 38 Ca 0.26 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2aro h ALA 38 Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2aro h ALA 38 CO -0.16 0.66 0.13 0.00 0.00 0.00 0.00 179.25 179.88 2aro h ARG 39 N 0.62 0.27 -0.84 0.00 2.47 -0.93 -0.37 114.38 115.59 2aro h ARG 39 Ca 0.06 -0.02 0.09 0.00 -1.26 0.00 0.00 59.98 58.85 2aro h ARG 39 Cb 0.91 -0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 29.12 2aro h ARG 39 CO 0.08 0.18 0.55 -0.09 0.56 0.00 0.00 179.97 181.25 2aro h ARG 40 N 0.27 0.81 0.00 0.04 2.43 -1.14 0.03 114.38 116.83 2aro h ARG 40 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2aro h ARG 40 Cb 0.00 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 2aro h ARG 40 CO -0.05 0.54 0.00 0.41 -1.51 0.00 0.00 179.97 179.36 2aro n GLY 41 N -1.42 -0.71 2.10 2.80 0.00 -0.29 -4.88 105.19 102.79 2aro n GLY 41 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 2aro n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aro n GLY 42 N 0.27 0.62 3.69 -0.02 0.00 -0.00 -5.02 105.19 104.73 2aro n GLY 42 Ca 0.05 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 2aro n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aro s VAL 43 N -2.11 5.04 -0.05 1.61 1.01 -0.36 -4.96 120.40 120.57 2aro s VAL 43 Ca 0.00 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.33 2aro s VAL 43 Cb 0.00 -3.99 -0.25 0.00 0.00 0.00 0.00 36.38 32.14 2aro s VAL 43 CO 0.00 0.19 0.63 0.50 0.00 0.00 0.00 175.10 176.42 2aro h LYS 44 N 7.06 0.14 -3.22 2.72 3.64 -1.95 -3.39 116.57 121.56 2aro h LYS 44 Ca -0.36 -0.24 -0.15 0.00 -1.27 0.00 0.00 60.65 58.62 2aro h LYS 44 Cb 1.17 0.09 -0.24 0.00 -0.41 0.00 0.00 32.23 32.84 2aro h LYS 44 CO 0.77 0.88 -0.43 0.50 -2.27 0.00 0.00 179.45 178.90 2aro s ARG 45 N -2.59 0.38 -0.10 1.90 3.52 -1.26 -5.12 118.95 115.68 2aro s ARG 45 Ca -0.11 0.08 -0.00 0.00 -0.13 0.00 0.00 55.73 55.57 2aro s ARG 45 Cb 0.07 0.17 0.02 0.00 -1.56 0.00 0.00 34.95 33.66 2aro s ARG 45 CO 0.81 -0.07 -0.07 0.42 -0.81 0.00 0.00 175.30 175.58 2aro s ILE 46 N -0.44 0.89 0.42 4.11 1.01 -1.26 -5.13 121.20 120.80 2aro s ILE 46 Ca -0.05 -0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.12 2aro s ILE 46 Cb -0.04 -0.92 -0.08 0.00 0.01 0.00 0.00 42.46 41.43 2aro s ILE 46 CO 0.01 0.34 1.27 -0.55 0.00 0.00 0.00 174.94 176.01 2aro s SER 47 N 1.57 6.28 0.60 3.58 0.15 -1.26 -4.93 113.70 119.69 2aro s SER 47 Ca 0.02 2.57 0.31 0.00 0.70 0.00 0.00 55.95 59.55 2aro s SER 47 Cb -0.13 -2.63 1.90 0.00 -1.71 0.00 0.00 66.02 63.44 2aro s SER 47 CO -0.06 -0.86 2.27 1.23 1.20 0.00 0.00 173.24 177.02 2aro h GLY 48 N 2.55 0.00 2.00 9.45 0.00 -2.05 -1.96 103.07 113.07 2aro h GLY 48 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2aro h GLY 48 CO 0.62 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.57 2aro h LEU 49 N 0.00 0.00 -1.10 3.11 3.38 -2.04 -3.32 115.31 115.34 2aro h LEU 49 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2aro h LEU 49 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2aro h LEU 49 CO -0.00 0.00 -0.22 0.16 0.09 0.00 0.00 178.44 178.47 2aro h ILE 50 N 0.00 0.53 -0.02 1.22 -0.00 -1.74 -3.16 117.51 114.35 2aro h ILE 50 Ca 0.00 -1.11 -0.00 0.00 -0.00 0.00 0.00 64.86 63.75 2aro h ILE 50 Cb 0.59 1.77 -0.00 0.00 -0.00 0.00 0.00 36.82 39.17 2aro h ILE 50 CO 0.00 0.21 0.01 1.88 -0.00 0.00 0.00 178.15 180.25 2aro h TYR 51 N 0.00 0.02 -0.37 0.16 0.05 -1.77 0.61 116.97 115.68 2aro h TYR 51 Ca -0.00 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 2aro h TYR 51 Cb 0.75 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.46 2aro h TYR 51 CO 0.00 0.06 -0.10 0.93 -1.05 0.00 0.00 178.16 177.99 2aro h GLU 52 N -0.02 0.63 -0.16 4.88 4.39 -1.81 -1.59 114.58 120.90 2aro h GLU 52 Ca 0.01 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2aro h GLU 52 Cb 0.04 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2aro h GLU 52 CO -0.00 0.72 0.10 1.49 -1.16 0.00 0.00 179.01 180.16 2aro h GLU 53 N 0.58 0.21 -0.70 2.33 4.57 -1.46 -2.27 114.58 117.83 2aro h GLU 53 Ca 0.11 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2aro h GLU 53 Cb 0.52 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 2aro h GLU 53 CO 0.03 0.16 0.40 1.15 -1.18 0.00 0.00 179.01 179.58 2aro h THR 54 N 0.19 1.21 -0.40 0.32 2.02 -0.75 -1.31 112.91 114.19 2aro h THR 54 Ca 0.06 -0.49 0.06 0.00 0.77 0.00 0.00 66.41 66.81 2aro h THR 54 Cb 0.00 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 2aro h THR 54 CO -0.01 0.22 0.10 0.03 0.37 0.00 0.00 175.52 176.23 2aro h ARG 55 N 0.96 0.22 -0.58 6.66 3.08 -1.16 0.10 114.38 123.67 2aro h ARG 55 Ca 0.25 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.31 2aro h ARG 55 Cb 0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 2aro h ARG 55 CO -0.04 0.15 0.36 0.78 -1.07 0.00 0.00 179.97 180.14 2aro h GLY 56 N 0.23 0.83 1.07 0.04 0.00 -1.05 -0.21 103.07 103.98 2aro h GLY 56 Ca 0.19 -0.27 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 2aro h GLY 56 CO -0.23 0.23 -0.23 -2.08 0.00 0.00 0.00 176.54 174.22 2aro h VAL 57 N 0.70 1.27 -0.45 4.60 2.07 -0.82 -2.71 116.25 120.93 2aro h VAL 57 Ca 0.23 -1.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 2aro h VAL 57 Cb 0.02 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2aro h VAL 57 CO -0.10 0.47 0.09 0.25 0.02 0.00 0.00 177.57 178.30 2aro h LEU 58 N 0.74 0.70 -0.59 2.57 5.85 -0.66 -2.67 115.31 121.26 2aro h LEU 58 Ca 0.09 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2aro h LEU 58 Cb 0.81 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 2aro h LEU 58 CO 0.07 0.77 0.36 0.50 -0.34 0.00 0.00 178.44 179.79 2aro h LYS 59 N 0.60 0.69 0.16 1.25 1.63 -0.94 -0.59 116.57 119.36 2aro h LYS 59 Ca 0.14 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 2aro h LYS 59 Cb 0.36 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2aro h LYS 59 CO 0.01 0.45 -0.08 0.28 -3.45 0.00 0.00 179.45 176.66 2aro h VAL 60 N 0.71 0.88 -0.17 2.00 2.07 -1.47 -0.47 116.25 119.79 2aro h VAL 60 Ca 0.24 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.64 2aro h VAL 60 Cb 0.02 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 2aro h VAL 60 CO -0.10 0.04 -0.29 0.15 0.02 0.00 0.00 177.57 177.39 2aro h PHE 61 N -0.30 -0.79 -0.61 1.57 3.57 -1.27 -2.02 116.94 117.10 2aro h PHE 61 Ca -0.02 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2aro h PHE 61 Cb 0.23 0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 2aro h PHE 61 CO -0.04 -0.37 0.36 -0.07 -2.23 0.00 0.00 178.31 175.96 2aro h LEU 62 N -0.34 0.74 -0.78 0.59 3.38 -1.09 -1.12 115.31 116.68 2aro h LEU 62 Ca 0.11 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2aro h LEU 62 Cb 0.51 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2aro h LEU 62 CO -0.36 0.59 0.51 -0.33 0.09 0.00 0.00 178.44 178.94 2aro h GLU 63 N 0.82 1.03 -0.03 1.13 5.08 -0.86 0.11 114.58 121.86 2aro h GLU 63 Ca 0.22 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2aro h GLU 63 Cb -0.00 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 2aro h GLU 63 CO -0.04 0.69 0.01 -0.91 -1.00 0.00 0.00 179.01 177.76 2aro h ASN 64 N 1.06 0.05 0.10 1.42 2.35 -1.00 0.32 115.58 119.87 2aro h ASN 64 Ca 0.29 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2aro h ASN 64 Cb -0.12 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2aro h ASN 64 CO -0.06 0.24 -0.05 0.58 -1.65 0.00 0.00 177.43 176.49 2aro h VAL 65 N -0.15 0.94 -0.66 2.81 2.07 -1.08 -2.46 116.25 117.72 2aro h VAL 65 Ca 0.01 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 2aro h VAL 65 Cb 0.21 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2aro h VAL 65 CO -0.00 0.03 0.22 0.40 0.02 0.00 0.00 177.57 178.24 2aro h ILE 66 N -0.18 1.24 -0.39 4.57 2.04 -0.74 0.69 117.51 124.73 2aro h ILE 66 Ca -0.01 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.04 2aro h ILE 66 Cb 0.15 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2aro h ILE 66 CO 0.02 0.32 0.23 -0.09 0.00 0.00 0.00 178.15 178.63 2aro h ARG 67 N 0.97 0.45 -0.46 2.37 2.43 -0.88 0.15 114.38 119.41 2aro h ARG 67 Ca 0.22 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.24 2aro h ARG 67 Cb 0.26 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2aro h ARG 67 CO -0.01 0.30 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.10 2aro h ASP 68 N 0.46 0.93 -0.35 -3.80 3.32 -1.00 -2.04 116.42 113.94 2aro h ASP 68 Ca 0.16 -0.34 0.06 0.00 0.02 0.00 0.00 57.03 56.93 2aro h ASP 68 Cb 0.02 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 2aro h ASP 68 CO -0.08 1.10 0.03 0.00 -1.72 0.00 0.00 179.24 178.58 2aro h ALA 69 N 0.97 0.34 -0.07 3.45 0.00 -0.42 -1.92 119.26 121.61 2aro h ALA 69 Ca 0.11 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2aro h ALA 69 Cb 0.75 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2aro h ALA 69 CO 0.06 -0.37 -0.32 -0.39 0.00 0.00 0.00 179.25 178.23 2aro h VAL 70 N 0.14 1.26 -0.37 0.00 -1.51 -0.92 -0.87 116.25 113.97 2aro h VAL 70 Ca 0.17 -1.22 -0.00 0.00 -1.23 0.00 0.00 66.70 64.42 2aro h VAL 70 Cb 0.22 1.56 -0.02 0.00 -2.13 0.00 0.00 31.29 30.92 2aro h VAL 70 CO -0.26 0.36 0.22 0.74 -1.23 0.00 0.00 177.57 177.40 2aro h THR 71 N 0.12 1.13 -0.22 7.19 2.02 -0.88 0.30 112.91 122.58 2aro h THR 71 Ca 0.02 -0.29 0.04 0.00 0.77 0.00 0.00 66.41 66.94 2aro h THR 71 Cb 0.63 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 2aro h THR 71 CO 0.05 0.13 -0.02 1.88 0.37 0.00 0.00 175.52 177.92 2aro h TYR 72 N 0.48 -0.04 0.35 3.16 0.05 -0.65 -0.24 116.97 120.08 2aro h TYR 72 Ca 0.13 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 2aro h TYR 72 Cb 0.01 0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 2aro h TYR 72 CO -0.04 -0.05 -0.27 1.15 -1.05 0.00 0.00 178.16 177.90 2aro h THR 73 N 0.05 0.43 -0.78 -2.88 2.02 -0.37 -2.33 112.91 109.04 2aro h THR 73 Ca 0.10 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.33 2aro h THR 73 Cb 0.14 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 2aro h THR 73 CO -0.19 0.00 0.51 -0.33 0.37 0.00 0.00 175.52 175.89 2aro h GLU 74 N -0.63 0.88 -0.52 6.66 5.08 -0.46 -1.73 114.58 123.86 2aro h GLU 74 Ca -0.03 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2aro h GLU 74 Cb 0.55 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 2aro h GLU 74 CO -0.01 0.58 0.25 1.25 -1.00 0.00 0.00 179.01 180.09 2aro h HIS 75 N 0.91 0.46 0.00 4.33 2.76 -0.70 -1.69 115.15 121.21 2aro h HIS 75 Ca 0.33 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2aro h HIS 75 Cb 0.14 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.97 2aro h HIS 75 CO -0.00 0.21 0.00 0.00 -1.30 0.00 0.00 177.93 176.84 2aro n ALA 76 N -2.35 2.26 -3.47 5.26 0.00 -0.90 -4.90 120.51 116.41 2aro n ALA 76 Ca 0.05 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 2aro n ALA 76 Cb 0.15 -1.25 0.02 0.00 0.00 0.00 0.00 19.45 18.37 2aro n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2aro n LYS 77 N -0.87 -4.60 -3.43 0.00 5.02 -0.64 -5.00 118.16 108.65 2aro n LYS 77 Ca 0.12 0.63 -0.19 0.00 -2.02 0.00 0.00 58.31 56.85 2aro n LYS 77 Cb 0.05 -5.45 -0.00 0.00 -0.02 0.00 0.00 35.03 29.61 2aro n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2aro s ARG 78 N -6.15 3.05 -0.00 1.97 0.52 -0.69 -5.02 118.95 112.64 2aro s ARG 78 Ca 0.47 -1.06 0.05 0.00 -0.52 0.00 0.00 55.73 54.67 2aro s ARG 78 Cb -0.23 -2.79 -0.06 0.00 0.52 0.00 0.00 34.95 32.39 2aro s ARG 78 CO 0.58 0.02 0.23 1.63 0.02 0.00 0.00 175.30 177.78 2aro n LYS 79 N -1.65 5.03 -3.71 3.54 5.02 -1.26 -4.27 118.16 120.86 2aro n LYS 79 Ca 0.01 -0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.93 2aro n LYS 79 Cb 0.58 -0.77 -0.12 0.00 -0.02 0.00 0.00 35.03 34.70 2aro n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2aro s THR 80 N -1.55 4.54 -0.12 -0.18 2.01 -1.26 -5.08 115.64 114.00 2aro s THR 80 Ca 0.02 -0.15 -0.29 0.00 0.31 0.00 0.00 61.69 61.58 2aro s THR 80 Cb 0.04 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 2aro s THR 80 CO 0.23 0.28 1.28 -0.69 -0.69 0.00 0.00 174.62 175.03 2aro s VAL 81 N 1.64 4.19 0.33 3.82 1.01 -1.26 -4.96 120.40 125.17 2aro s VAL 81 Ca 0.06 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.53 2aro s VAL 81 Cb -0.16 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2aro s VAL 81 CO 0.05 -0.09 0.51 0.42 0.00 0.00 0.00 175.10 175.99 2aro s THR 82 N 3.19 5.01 0.26 3.92 -4.23 -1.26 -5.00 115.64 117.52 2aro s THR 82 Ca 0.57 -0.60 -0.03 0.00 -1.18 0.00 0.00 61.69 60.45 2aro s THR 82 Cb -0.24 -3.81 0.27 0.00 1.34 0.00 0.00 72.50 70.06 2aro s THR 82 CO 0.18 -0.48 1.66 0.00 -0.54 0.00 0.00 174.62 175.45 2aro h ALA 83 N 0.82 1.02 -0.37 3.99 0.00 -1.96 -2.01 119.26 120.75 2aro h ALA 83 Ca -0.50 0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2aro h ALA 83 Cb 1.23 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2aro h ALA 83 CO 0.61 -0.39 -0.10 1.98 0.00 0.00 0.00 179.25 181.34 2aro h MET 84 N 0.22 0.64 -0.89 0.00 1.85 -1.96 0.38 114.93 115.17 2aro h MET 84 Ca 0.46 -0.20 0.12 0.00 -0.61 0.00 0.00 59.70 59.47 2aro h MET 84 Cb 0.83 -0.06 -0.08 0.00 0.43 0.00 0.00 31.60 32.72 2aro h MET 84 CO -0.59 0.74 0.52 -0.44 -0.40 0.00 0.00 176.91 176.74 2aro h ASP 85 N 0.59 0.74 -0.07 1.39 3.32 -1.73 -0.91 116.42 119.75 2aro h ASP 85 Ca 0.11 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2aro h ASP 85 Cb 0.53 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 2aro h ASP 85 CO 0.03 0.39 -0.03 0.58 -1.72 0.00 0.00 179.24 178.49 2aro h VAL 86 N 0.83 1.31 -0.81 -1.35 2.07 -0.78 -1.76 116.25 115.77 2aro h VAL 86 Ca 0.45 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 67.03 2aro h VAL 86 Cb 0.48 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 2aro h VAL 86 CO -0.28 0.27 0.50 0.58 0.02 0.00 0.00 177.57 178.67 2aro h VAL 87 N -0.22 1.06 0.03 2.57 2.07 -0.65 0.21 116.25 121.33 2aro h VAL 87 Ca 0.02 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2aro h VAL 87 Cb 0.45 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2aro h VAL 87 CO 0.01 0.17 -0.02 1.88 0.02 0.00 0.00 177.57 179.63 2aro h TYR 88 N 0.94 -0.04 -0.65 1.57 -1.99 -1.16 -2.12 116.97 113.52 2aro h TYR 88 Ca 0.34 -0.00 0.14 0.00 2.00 0.00 0.00 58.73 61.21 2aro h TYR 88 Cb 0.11 0.01 -0.11 0.00 2.00 0.00 0.00 36.73 38.75 2aro h TYR 88 CO -0.04 0.15 -0.01 0.00 -0.00 0.00 0.00 178.16 178.27 2aro h ALA 89 N 0.72 0.63 -0.80 3.88 0.00 -0.97 -2.43 119.26 120.30 2aro h ALA 89 Ca -0.00 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2aro h ALA 89 Cb 0.21 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2aro h ALA 89 CO 0.01 -0.40 0.39 -0.07 0.00 0.00 0.00 179.25 179.18 2aro h LEU 90 N 0.11 1.04 -1.55 0.00 3.38 -0.77 -1.42 115.31 116.10 2aro h LEU 90 Ca 0.34 -0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.35 2aro h LEU 90 Cb 0.56 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 2aro h LEU 90 CO -0.56 0.88 0.54 0.11 0.09 0.00 0.00 178.44 179.49 2aro h LYS 91 N 1.14 0.41 -0.15 1.13 1.79 -0.89 -0.64 116.57 119.36 2aro h LYS 91 Ca 0.28 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.63 2aro h LYS 91 Cb 0.11 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2aro h LYS 91 CO -0.04 0.27 -0.32 -0.09 -1.08 0.00 0.00 179.45 178.19 2aro h ARG 92 N 0.42 0.30 0.00 3.15 9.65 -1.06 0.69 114.38 127.53 2aro h ARG 92 Ca 0.40 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 2aro h ARG 92 Cb 0.94 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 2aro h ARG 92 CO -0.14 0.60 0.00 1.04 2.80 0.00 0.00 179.97 184.27 2aro n GLN 93 N -4.09 0.99 -1.77 0.20 1.13 -0.63 -4.90 117.38 108.30 2aro n GLN 93 Ca -0.01 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.89 2aro n GLN 93 Cb 0.42 -1.08 -0.04 0.00 0.11 0.00 0.00 30.24 29.65 2aro n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2aro n GLY 94 N 0.57 0.89 3.43 1.08 0.00 0.23 -5.01 105.19 106.38 2aro n GLY 94 Ca 0.04 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2aro n GLY 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aro s ARG 95 N -3.88 3.52 -0.29 1.61 0.52 -0.34 -4.98 118.95 115.10 2aro s ARG 95 Ca 0.00 -0.61 -0.10 0.00 -0.52 0.00 0.00 55.73 54.51 2aro s ARG 95 Cb 0.00 -2.77 -0.02 0.00 0.52 0.00 0.00 34.95 32.68 2aro s ARG 95 CO 0.00 0.22 0.15 0.99 0.02 0.00 0.00 175.30 176.67 2aro s THR 96 N 0.38 4.69 -0.23 0.02 2.01 -1.26 -2.18 115.64 119.06 2aro s THR 96 Ca -0.07 -0.27 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 2aro s THR 96 Cb -0.15 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 2aro s THR 96 CO 0.04 0.15 0.21 -0.22 -0.69 0.00 0.00 174.62 174.11 2aro s LEU 97 N 1.64 4.12 -0.01 4.42 2.96 -1.26 -5.08 118.68 125.47 2aro s LEU 97 Ca 0.05 0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 54.10 2aro s LEU 97 Cb -0.16 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.29 2aro s LEU 97 CO 0.07 0.03 0.24 -0.31 -1.32 0.00 0.00 176.35 175.05 2aro s TYR 98 N 1.16 3.58 0.00 5.38 1.51 -1.26 -4.66 117.35 123.05 2aro s TYR 98 Ca 0.10 0.53 0.00 0.00 -1.01 0.00 0.00 57.07 56.69 2aro s TYR 98 Cb -0.14 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 39.76 2aro s TYR 98 CO 0.06 0.63 0.00 0.41 -1.11 0.00 0.00 175.55 175.54 2aro n GLY 99 N 1.18 0.94 0.04 0.71 0.00 -1.26 -5.01 105.19 101.78 2aro n GLY 99 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2aro n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2aro n PHE 100 N -0.63 0.03 1.16 1.61 3.01 -1.26 -4.69 117.46 116.69 2aro n PHE 100 Ca 0.00 -0.43 0.03 0.00 1.01 0.00 0.00 57.45 58.06 2aro n PHE 100 Cb 0.00 -0.04 0.19 0.00 -0.01 0.00 0.00 39.48 39.61 2aro n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2aro n GLY 101 N -0.37 -0.58 0.28 1.37 0.00 -1.26 -4.59 105.19 100.04 2aro n GLY 101 Ca 0.01 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.14 2aro n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93