#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roh n SER 2 N 0.00 0.48 -4.70 1.61 2.88 -1.26 -5.11 113.62 107.53 2roh n SER 2 Ca 0.00 -2.75 -0.42 0.00 -1.33 0.00 0.00 58.87 54.37 2roh n SER 2 Cb 0.00 -0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 62.79 2roh n SER 2 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2roh s PRO 3 N -1.27 4.29 0.58 -1.46 0.04 -1.26 -4.98 135.00 130.94 2roh s PRO 3 Ca 0.35 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 63.22 2roh s PRO 3 Cb 0.17 -3.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 2roh s PRO 3 CO -0.10 -0.54 1.14 1.97 0.04 0.00 0.00 177.00 179.51 2roh n PHE 4 N 4.96 1.49 -3.62 0.56 -1.74 -1.26 -4.96 117.46 112.88 2roh n PHE 4 Ca 0.13 0.44 -0.30 0.00 -0.56 0.00 0.00 57.45 57.17 2roh n PHE 4 Cb 0.43 -2.24 -0.09 0.00 1.52 0.00 0.00 39.48 39.10 2roh n PHE 4 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2roh n ALA 5 N -1.43 3.84 -2.90 1.98 0.00 -1.26 -5.07 120.51 115.67 2roh n ALA 5 Ca 0.13 -4.66 -0.21 0.00 0.00 0.00 0.00 53.44 48.70 2roh n ALA 5 Cb 0.46 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 2roh n ALA 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2roh s ASP 6 N -1.71 6.21 1.16 0.00 1.01 -1.26 -5.12 116.67 116.96 2roh s ASP 6 Ca 0.32 0.01 -0.14 0.00 0.71 0.00 0.00 52.55 53.45 2roh s ASP 6 Cb 0.04 -1.75 0.20 0.00 1.01 0.00 0.00 42.92 42.42 2roh s ASP 6 CO -0.09 -0.11 0.72 -0.81 0.21 0.00 0.00 175.17 175.09 2roh n PRO 7 N -1.42 -2.42 -3.77 8.23 -0.04 -1.26 -4.34 135.00 129.98 2roh n PRO 7 Ca -0.08 -1.15 -0.23 0.00 -0.04 0.00 0.00 63.50 62.00 2roh n PRO 7 Cb 0.57 -1.08 0.03 0.00 -0.04 0.00 0.00 33.50 32.98 2roh n PRO 7 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2roh n ASN 8 N -4.23 -1.67 0.11 3.54 4.13 -1.26 -4.88 115.26 111.01 2roh n ASN 8 Ca 0.10 -0.83 -0.03 0.00 1.68 0.00 0.00 54.58 55.49 2roh n ASN 8 Cb 0.39 -3.92 0.08 0.00 -1.54 0.00 0.00 39.78 34.79 2roh n ASN 8 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2roh h SER 9 N -1.90 0.03 -2.66 6.41 4.64 -2.03 -3.43 113.55 114.60 2roh h SER 9 Ca -0.61 -0.02 -0.55 0.00 -0.47 0.00 0.00 61.79 60.14 2roh h SER 9 Cb 1.36 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 2roh h SER 9 CO 0.59 0.75 1.08 -0.22 -0.87 0.00 0.00 176.83 178.16 2roh s LEU 10 N -7.37 4.24 0.13 5.97 2.96 -1.26 -4.81 118.68 118.53 2roh s LEU 10 Ca -0.01 2.09 0.00 0.00 -0.22 0.00 0.00 54.13 55.99 2roh s LEU 10 Cb 0.12 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.27 2roh s LEU 10 CO 0.78 -0.96 0.00 0.00 -1.32 0.00 0.00 176.35 174.85 2roh n ALA 11 N 7.29 3.00 -2.33 5.97 0.00 -1.26 -5.00 120.51 128.19 2roh n ALA 11 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 2roh n ALA 11 Cb 0.43 0.19 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 2roh n ALA 11 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2roh s LEU 12 N -6.60 3.38 -0.01 0.00 0.20 -1.26 -4.97 118.68 109.43 2roh s LEU 12 Ca 0.00 0.32 -0.00 0.00 0.69 0.00 0.00 54.13 55.14 2roh s LEU 12 Cb 0.00 -2.99 0.00 0.00 -0.43 0.00 0.00 46.19 42.78 2roh s LEU 12 CO 0.00 -1.80 0.01 0.00 -0.29 0.00 0.00 176.35 174.27 2roh s ALA 13 N 6.50 -0.00 0.18 5.97 0.00 -1.26 -5.13 121.76 128.01 2roh s ALA 13 Ca 0.55 0.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 2roh s ALA 13 Cb -0.12 -0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.87 2roh s ALA 13 CO 0.24 -0.02 1.33 0.54 0.00 0.00 0.00 175.76 177.85 2roh s ASN 14 N 0.15 6.88 0.20 0.00 4.22 -1.26 -5.03 114.94 120.10 2roh s ASN 14 Ca -0.01 2.38 0.10 0.00 -2.14 0.00 0.00 52.86 53.19 2roh s ASN 14 Cb -0.02 -2.60 -0.04 0.00 1.28 0.00 0.00 41.25 39.86 2roh s ASN 14 CO -0.00 -0.56 -0.17 0.68 -2.04 0.00 0.00 177.10 175.01 2roh s VAL 15 N 0.35 2.74 -0.78 3.54 -7.23 -1.26 -5.06 120.40 112.70 2roh s VAL 15 Ca 0.58 -1.90 -0.25 0.00 -1.81 0.00 0.00 61.98 58.60 2roh s VAL 15 Cb -0.37 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 2roh s VAL 15 CO 0.36 -0.14 1.91 -2.16 -0.31 0.00 0.00 175.10 174.76 2roh s PRO 16 N -2.82 2.59 -0.19 4.82 0.04 -1.26 -4.91 135.00 133.26 2roh s PRO 16 Ca 0.23 0.09 -0.05 0.00 0.04 0.00 0.00 61.00 61.32 2roh s PRO 16 Cb -0.08 -4.77 0.07 0.00 0.04 0.00 0.00 34.50 29.75 2roh s PRO 16 CO 0.13 -3.10 0.10 -1.17 0.04 0.00 0.00 177.00 172.99 2roh s LEU 17 N 9.64 0.39 0.08 -3.56 2.96 -1.26 -5.13 118.68 121.80 2roh s LEU 17 Ca 0.69 -0.74 -0.27 0.00 -0.22 0.00 0.00 54.13 53.58 2roh s LEU 17 Cb -0.09 -0.26 0.08 0.00 0.50 0.00 0.00 46.19 46.42 2roh s LEU 17 CO 0.08 -0.37 0.97 -0.94 -1.32 0.00 0.00 176.35 174.78 2roh s SER 18 N 2.13 -0.22 -0.16 3.68 1.04 -1.26 -5.18 113.70 113.72 2roh s SER 18 Ca 0.03 -0.24 -0.13 0.00 0.48 0.00 0.00 55.95 56.10 2roh s SER 18 Cb -0.16 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.42 2roh s SER 18 CO -0.14 -0.74 0.42 -0.13 0.98 0.00 0.00 173.24 173.63 2roh s ARG 19 N -3.13 0.46 -0.17 4.02 0.52 -1.26 -5.16 118.95 114.22 2roh s ARG 19 Ca 0.10 0.67 -0.26 0.00 -0.52 0.00 0.00 55.73 55.72 2roh s ARG 19 Cb -0.01 0.14 0.07 0.00 0.52 0.00 0.00 34.95 35.67 2roh s ARG 19 CO -0.02 -0.10 0.66 0.45 0.02 0.00 0.00 175.30 176.31 2roh s SER 20 N 0.69 -0.66 0.08 0.23 0.15 -1.26 -5.18 113.70 107.75 2roh s SER 20 Ca -0.04 1.07 -0.27 0.00 0.70 0.00 0.00 55.95 57.41 2roh s SER 20 Cb -0.05 1.02 0.09 0.00 -1.71 0.00 0.00 66.02 65.37 2roh s SER 20 CO -0.05 -0.38 1.13 -1.59 1.20 0.00 0.00 173.24 173.55 2roh s LYS 21 N -0.29 0.83 0.09 5.44 0.00 -1.26 -5.19 119.74 119.37 2roh s LYS 21 Ca -0.05 -0.48 -0.17 0.00 0.00 0.00 0.00 55.97 55.27 2roh s LYS 21 Cb -0.03 0.27 0.04 0.00 0.00 0.00 0.00 37.83 38.11 2roh s LYS 21 CO 0.04 -0.38 0.42 -0.98 0.00 0.00 0.00 175.35 174.45 2roh s ARG 22 N -2.70 1.01 0.36 1.78 3.03 -1.26 -5.16 118.95 116.03 2roh s ARG 22 Ca 0.16 -0.54 -0.27 0.00 2.03 0.00 0.00 55.73 57.10 2roh s ARG 22 Cb 0.01 0.45 -0.09 0.00 -1.03 0.00 0.00 34.95 34.29 2roh s ARG 22 CO 0.00 -0.38 1.20 -1.25 -1.13 0.00 0.00 175.30 173.75 2roh s PRO 23 N -3.22 4.21 0.05 3.89 0.04 -1.26 -5.01 135.00 133.70 2roh s PRO 23 Ca -0.01 1.96 -0.25 0.00 0.04 0.00 0.00 61.00 62.74 2roh s PRO 23 Cb 0.01 -2.86 0.08 0.00 0.04 0.00 0.00 34.50 31.77 2roh s PRO 23 CO -0.08 -0.22 1.16 -0.40 0.04 0.00 0.00 177.00 177.51 2roh n ASP 24 N 0.43 -1.35 -3.48 6.66 5.68 -1.26 -5.03 116.55 118.20 2roh n ASP 24 Ca 0.02 -1.47 -0.18 0.00 -0.50 0.00 0.00 54.79 52.66 2roh n ASP 24 Cb 0.45 2.14 0.07 0.00 -1.14 0.00 0.00 41.12 42.64 2roh n ASP 24 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2roh n PHE 25 N -0.83 -2.15 -3.77 2.11 3.72 -1.26 -5.01 117.46 110.26 2roh n PHE 25 Ca 0.02 0.88 -0.13 0.00 -0.05 0.00 0.00 57.45 58.17 2roh n PHE 25 Cb 0.57 -4.67 -0.10 0.00 -0.94 0.00 0.00 39.48 34.33 2roh n PHE 25 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2roh s GLY 26 N -4.16 -0.20 -0.08 1.37 0.00 -1.26 -5.16 107.32 97.84 2roh s GLY 26 Ca 0.10 0.69 -0.06 0.00 0.00 0.00 0.00 44.72 45.44 2roh s GLY 26 CO 0.76 0.55 0.20 1.20 0.00 0.00 0.00 173.10 175.81 2roh s GLN 27 N -0.24 0.22 0.00 2.90 -1.52 -1.26 -5.15 119.66 114.61 2roh s GLN 27 Ca -0.04 0.33 -0.14 0.00 -1.95 0.00 0.00 55.36 53.56 2roh s GLN 27 Cb -0.03 0.06 -0.06 0.00 -0.22 0.00 0.00 33.01 32.76 2roh s GLN 27 CO 0.01 -0.06 0.39 -0.98 -0.25 0.00 0.00 175.29 174.41 2roh s ARG 28 N 0.37 3.88 -0.30 2.91 1.70 -1.26 -4.93 118.95 121.32 2roh s ARG 28 Ca -0.02 0.36 -0.17 0.00 -0.47 0.00 0.00 55.73 55.43 2roh s ARG 28 Cb -0.04 -3.19 0.18 0.00 -0.57 0.00 0.00 34.95 31.33 2roh s ARG 28 CO -0.02 0.68 1.13 -0.98 -1.08 0.00 0.00 175.30 175.04 2roh s ARG 29 N -1.18 0.16 -0.21 3.89 1.70 -1.26 -5.14 118.95 116.91 2roh s ARG 29 Ca 0.24 0.39 -0.02 0.00 -0.47 0.00 0.00 55.73 55.88 2roh s ARG 29 Cb -0.16 0.23 0.06 0.00 -0.57 0.00 0.00 34.95 34.51 2roh s ARG 29 CO 0.13 -0.07 0.01 0.42 -1.08 0.00 0.00 175.30 174.71 2roh s ILE 30 N 2.36 0.87 0.00 4.99 -1.09 -1.26 -4.96 121.20 122.10 2roh s ILE 30 Ca -0.01 -0.81 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 2roh s ILE 30 Cb -0.04 -1.31 0.00 0.00 -1.58 0.00 0.00 42.46 39.53 2roh s ILE 30 CO -0.16 -0.19 0.00 -1.14 -1.23 0.00 0.00 174.94 172.22 2roh n ARG 31 N 4.92 0.00 -3.75 2.79 3.00 -1.26 -4.94 116.66 117.41 2roh n ARG 31 Ca -0.10 0.20 -0.37 0.00 -0.00 0.00 0.00 57.85 57.59 2roh n ARG 31 Cb 0.46 -0.63 -0.07 0.00 0.00 0.00 0.00 32.46 32.22 2roh n ARG 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2roh s ARG 32 N -0.69 3.79 0.64 -0.14 6.06 -1.26 -5.09 118.95 122.26 2roh s ARG 32 Ca 0.00 -0.06 -0.16 0.00 -2.50 0.00 0.00 55.73 53.01 2roh s ARG 32 Cb 0.00 -3.28 -0.01 0.00 0.06 0.00 0.00 34.95 31.72 2roh s ARG 32 CO 0.00 0.58 1.11 -1.25 -2.50 0.00 0.00 175.30 173.24 2roh s PRO 33 N -0.49 2.90 0.34 5.12 0.04 -1.26 -5.07 135.00 136.58 2roh s PRO 33 Ca 0.14 1.43 0.09 0.00 0.04 0.00 0.00 61.00 62.71 2roh s PRO 33 Cb -0.12 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 2roh s PRO 33 CO 0.04 -1.18 -0.02 -0.59 0.04 0.00 0.00 177.00 175.29 2roh s PHE 34 N -2.24 2.51 0.42 0.56 -0.12 -1.26 -5.15 117.98 112.71 2roh s PHE 34 Ca 0.68 -0.44 0.04 0.00 -0.05 0.00 0.00 56.93 57.15 2roh s PHE 34 Cb -0.21 -1.45 0.00 0.00 -0.63 0.00 0.00 43.02 40.73 2roh s PHE 34 CO 0.39 0.51 0.60 0.99 -0.05 0.00 0.00 175.22 177.66 2roh s THR 35 N -2.53 3.73 0.08 -4.49 2.01 -1.26 -4.96 115.64 108.21 2roh s THR 35 Ca 0.34 -0.77 -0.24 0.00 0.31 0.00 0.00 61.69 61.33 2roh s THR 35 Cb 0.00 -3.33 -0.16 0.00 0.01 0.00 0.00 72.50 69.02 2roh s THR 35 CO 0.19 -0.18 1.69 0.58 -0.69 0.00 0.00 174.62 176.20 2roh h VAL 36 N 0.57 0.96 -0.04 3.82 2.07 -1.99 -1.66 116.25 119.98 2roh h VAL 36 Ca -0.45 -0.09 -0.19 0.00 0.82 0.00 0.00 66.70 66.79 2roh h VAL 36 Cb 1.26 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 2roh h VAL 36 CO 0.53 0.02 -0.80 0.00 0.02 0.00 0.00 177.57 177.35 2roh h ALA 37 N 0.80 0.57 -0.76 1.67 0.00 -1.95 -2.33 119.26 117.26 2roh h ALA 37 Ca -0.01 -0.65 0.04 0.00 0.00 0.00 0.00 54.91 54.28 2roh h ALA 37 Cb 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2roh h ALA 37 CO 0.02 0.82 0.47 0.93 0.00 0.00 0.00 179.25 181.49 2roh h GLU 38 N 0.20 0.89 0.02 0.00 5.08 -1.92 0.10 114.58 118.94 2roh h GLU 38 Ca -0.04 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.08 2roh h GLU 38 Cb 1.39 -0.20 0.02 0.00 0.50 0.00 0.00 28.75 30.46 2roh h GLU 38 CO 0.13 0.59 -0.76 0.28 -1.00 0.00 0.00 179.01 178.25 2roh h VAL 39 N 0.91 1.39 -0.85 3.13 2.07 -1.32 -1.83 116.25 119.75 2roh h VAL 39 Ca 0.31 -2.17 0.06 0.00 0.82 0.00 0.00 66.70 65.72 2roh h VAL 39 Cb 0.05 2.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 2roh h VAL 39 CO -0.12 0.64 0.55 1.05 0.02 0.00 0.00 177.57 179.71 2roh h GLU 40 N 0.02 0.94 0.01 1.57 4.11 -1.17 0.25 114.58 120.31 2roh h GLU 40 Ca -0.10 -0.06 -0.04 0.00 0.07 0.00 0.00 59.36 59.24 2roh h GLU 40 Cb 1.46 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2roh h GLU 40 CO 0.15 0.62 -0.15 -0.07 0.07 0.00 0.00 179.01 179.62 2roh h LEU 41 N 0.96 0.12 -1.68 3.06 3.38 -1.03 -2.28 115.31 117.84 2roh h LEU 41 Ca 0.36 -0.84 0.01 0.00 0.09 0.00 0.00 57.88 57.50 2roh h LEU 41 Cb 0.18 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2roh h LEU 41 CO -0.13 0.95 0.23 0.25 0.09 0.00 0.00 178.44 179.83 2roh h LEU 42 N -0.69 0.37 -0.02 1.67 5.85 -1.06 0.11 115.31 121.52 2roh h LEU 42 Ca -0.02 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2roh h LEU 42 Cb 0.98 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2roh h LEU 42 CO 0.03 0.26 -0.19 0.58 -0.34 0.00 0.00 178.44 178.78 2roh h VAL 43 N 0.43 1.50 0.00 1.05 2.07 -0.56 -2.49 116.25 118.25 2roh h VAL 43 Ca 0.13 -1.75 -0.03 0.00 0.82 0.00 0.00 66.70 65.87 2roh h VAL 43 Cb -0.00 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2roh h VAL 43 CO -0.03 0.48 -0.13 -0.08 0.02 0.00 0.00 177.57 177.83 2roh h GLU 44 N -0.44 0.00 0.01 1.57 4.81 -1.05 0.26 114.58 119.74 2roh h GLU 44 Ca -0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2roh h GLU 44 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2roh h GLU 44 CO 0.04 0.13 -0.01 0.00 -0.73 0.00 0.00 179.01 178.44 2roh h ALA 45 N 1.87 -0.02 -0.00 2.92 0.00 -0.79 -2.04 119.26 121.19 2roh h ALA 45 Ca -0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 2roh h ALA 45 Cb 0.44 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2roh h ALA 45 CO 0.02 -0.12 -0.77 -0.24 0.00 0.00 0.00 179.25 178.14 2roh h VAL 46 N -0.80 1.52 -0.21 0.00 3.04 -1.34 -3.22 116.25 115.24 2roh h VAL 46 Ca -0.00 -2.56 -0.12 0.00 -1.01 0.00 0.00 66.70 63.01 2roh h VAL 46 Cb 0.75 2.39 -0.00 0.00 -2.01 0.00 0.00 31.29 32.41 2roh h VAL 46 CO 0.00 0.73 -0.34 -0.08 -1.01 0.00 0.00 177.57 176.88 2roh h GLU 47 N 0.03 0.60 -0.35 4.17 4.81 -0.59 0.32 114.58 123.57 2roh h GLU 47 Ca -0.01 -0.37 0.08 0.00 -0.13 0.00 0.00 59.36 58.93 2roh h GLU 47 Cb 1.36 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.76 2roh h GLU 47 CO 0.10 0.98 0.25 1.25 -0.73 0.00 0.00 179.01 180.86 2roh h HIS 48 N 0.29 0.10 -0.06 0.92 2.76 -1.40 -0.19 115.15 117.57 2roh h HIS 48 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2roh h HIS 48 Cb 0.93 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.86 2roh h HIS 48 CO 0.09 0.05 0.00 1.28 -1.30 0.00 0.00 177.93 178.05 2roh n LEU 49 N -4.46 2.43 0.00 0.26 4.77 -1.16 -5.05 117.00 113.80 2roh n LEU 49 Ca 0.05 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 2roh n LEU 49 Cb 0.36 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2roh n LEU 49 CO 0.35 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 2roh n GLY 50 N 0.91 3.20 2.20 -0.72 0.00 0.11 -1.38 105.19 109.51 2roh n GLY 50 Ca 0.10 0.27 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 2roh n GLY 50 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2roh n THR 51 N 0.00 2.77 0.00 2.61 5.66 -1.26 -4.63 114.28 119.42 2roh n THR 51 Ca 0.00 -4.10 0.00 0.00 -3.05 0.00 0.00 64.05 56.90 2roh n THR 51 Cb 0.00 -1.17 0.00 0.00 -1.55 0.00 0.00 70.33 67.61 2roh n THR 51 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2roh n GLY 52 N -0.70 0.42 2.88 1.09 0.00 -0.48 -5.01 105.19 103.38 2roh n GLY 52 Ca 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.35 2roh n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2roh s ARG 53 N -0.45 0.15 0.01 1.61 0.52 -1.26 -5.05 118.95 114.47 2roh s ARG 53 Ca 0.00 -0.02 -0.22 0.00 -0.52 0.00 0.00 55.73 54.97 2roh s ARG 53 Cb 0.00 -0.19 -0.17 0.00 0.52 0.00 0.00 34.95 35.11 2roh s ARG 53 CO 0.00 -0.00 1.26 -1.49 0.02 0.00 0.00 175.30 175.09 2roh h TRP 54 N 6.36 0.36 -0.17 -0.53 6.55 -1.95 -3.03 115.95 123.53 2roh h TRP 54 Ca -0.29 -0.13 0.05 0.00 0.95 0.00 0.00 58.89 59.47 2roh h TRP 54 Cb 1.19 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 29.41 2roh h TRP 54 CO 0.43 0.78 0.22 0.07 -1.05 0.00 0.00 178.44 178.88 2roh h ARG 55 N -0.16 0.00 -0.04 0.49 0.11 -1.97 0.84 114.38 113.65 2roh h ARG 55 Ca 0.01 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.90 2roh h ARG 55 Cb 0.75 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.82 2roh h ARG 55 CO 0.04 0.00 -0.77 0.22 0.10 0.00 0.00 179.97 179.56 2roh h ASP 56 N 0.00 0.35 0.28 0.08 1.82 -1.95 -1.77 116.42 115.24 2roh h ASP 56 Ca 0.08 -0.25 -0.20 0.00 -0.39 0.00 0.00 57.03 56.28 2roh h ASP 56 Cb 0.52 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.42 2roh h ASP 56 CO -0.00 0.99 -0.79 -0.37 -1.61 0.00 0.00 179.24 177.46 2roh h VAL 57 N 0.19 1.39 -0.00 2.25 -1.51 -0.83 -0.07 116.25 117.67 2roh h VAL 57 Ca -0.03 -2.24 -0.20 0.00 -1.23 0.00 0.00 66.70 62.99 2roh h VAL 57 Cb 1.35 2.21 -0.01 0.00 -2.13 0.00 0.00 31.29 32.71 2roh h VAL 57 CO 0.12 0.67 -0.88 0.07 -1.23 0.00 0.00 177.57 176.32 2roh h LYS 58 N 0.26 0.25 0.00 5.19 2.10 -1.42 -3.18 116.57 119.77 2roh h LYS 58 Ca -0.04 -0.27 -0.17 0.00 -2.00 0.00 0.00 60.65 58.17 2roh h LYS 58 Cb 1.39 0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 32.77 2roh h LYS 58 CO 0.14 0.98 -0.92 0.35 -2.00 0.00 0.00 179.45 178.00 2roh h PHE 59 N 0.14 0.00 -0.63 0.07 3.57 -1.32 -2.81 116.94 115.96 2roh h PHE 59 Ca -0.05 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.15 2roh h PHE 59 Cb 1.51 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 40.07 2roh h PHE 59 CO 0.04 0.77 0.38 -2.13 -2.23 0.00 0.00 178.31 175.14 2roh n ARG 60 N -3.23 2.08 0.00 1.11 3.00 -0.04 -4.57 116.66 115.01 2roh n ARG 60 Ca -0.02 -2.02 0.00 0.00 -0.00 0.00 0.00 57.85 55.81 2roh n ARG 60 Cb 0.86 -1.82 0.00 0.00 0.00 0.00 0.00 32.46 31.51 2roh n ARG 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2roh n ALA 61 N -0.46 1.59 -3.22 5.13 0.00 -1.21 -4.75 120.51 117.60 2roh n ALA 61 Ca 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.80 2roh n ALA 61 Cb 1.23 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.65 2roh n ALA 61 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2roh s PHE 62 N -0.44 -1.46 -2.12 0.00 0.08 -1.06 -5.00 117.98 107.99 2roh s PHE 62 Ca 0.00 0.92 0.17 0.00 0.12 0.00 0.00 56.93 58.14 2roh s PHE 62 Cb 0.00 0.18 0.73 0.00 -0.57 0.00 0.00 43.02 43.36 2roh s PHE 62 CO 0.00 -0.99 1.51 -0.85 -0.10 0.00 0.00 175.22 174.79 2roh n GLU 63 N 5.40 1.42 -0.02 0.44 0.28 -1.21 -3.65 120.64 123.29 2roh n GLU 63 Ca 0.02 -0.64 -0.02 0.00 -0.16 0.00 0.00 57.16 56.36 2roh n GLU 63 Cb 0.52 -1.30 -0.03 0.00 1.43 0.00 0.00 31.44 32.06 2roh n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2roh n ASN 64 N -0.11 4.07 -4.49 -1.84 2.85 -1.26 -4.93 115.26 109.55 2roh n ASN 64 Ca 0.13 -0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.23 2roh n ASN 64 Cb 0.20 0.54 0.06 0.00 1.24 0.00 0.00 39.78 41.82 2roh n ASN 64 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 2roh n VAL 65 N -2.17 2.24 -1.32 3.44 3.14 -1.24 -4.87 118.33 117.54 2roh n VAL 65 Ca -0.06 -0.45 -0.36 0.00 -2.96 0.00 0.00 64.34 60.51 2roh n VAL 65 Cb 0.62 -0.78 0.06 0.00 -1.06 0.00 0.00 33.84 32.68 2roh n VAL 65 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2roh n HIS 66 N -2.07 -0.56 -3.77 1.45 1.44 -1.26 -2.90 115.22 107.54 2roh n HIS 66 Ca 0.11 0.37 -0.24 0.00 -2.01 0.00 0.00 57.72 55.95 2roh n HIS 66 Cb 0.49 -1.95 0.02 0.00 0.12 0.00 0.00 29.99 28.67 2roh n HIS 66 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2roh n HIS 67 N -2.25 -1.83 -1.23 -1.40 8.25 -1.26 -4.81 115.22 110.68 2roh n HIS 67 Ca 0.11 0.74 -0.34 0.00 -0.26 0.00 0.00 57.72 57.97 2roh n HIS 67 Cb 0.49 -3.99 -0.05 0.00 1.12 0.00 0.00 29.99 27.56 2roh n HIS 67 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2roh n ARG 68 N -4.27 3.36 -4.16 -0.41 1.85 -1.14 -4.74 116.66 107.15 2roh n ARG 68 Ca -0.26 -1.98 -0.34 0.00 -1.00 0.00 0.00 57.85 54.27 2roh n ARG 68 Cb 0.66 -2.66 -0.14 0.00 -1.05 0.00 0.00 32.46 29.28 2roh n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2roh s THR 69 N 2.06 3.43 0.25 8.89 2.01 -1.26 -5.00 115.64 126.02 2roh s THR 69 Ca 0.68 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 62.14 2roh s THR 69 Cb 0.20 -2.53 0.25 0.00 0.01 0.00 0.00 72.50 70.43 2roh s THR 69 CO -0.05 0.45 1.67 0.10 -0.69 0.00 0.00 174.62 176.10 2roh h TYR 70 N 7.60 0.23 -0.11 4.92 -0.00 -1.89 0.34 116.97 128.06 2roh h TYR 70 Ca -0.37 0.05 -0.10 0.00 -0.00 0.00 0.00 58.73 58.31 2roh h TYR 70 Cb 1.18 0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 37.91 2roh h TYR 70 CO 0.56 -0.13 -0.37 -0.24 -0.00 0.00 0.00 178.16 177.99 2roh h VAL 71 N 0.23 1.29 -0.59 -0.90 3.04 -1.94 -2.47 116.25 114.91 2roh h VAL 71 Ca 0.43 -1.41 -0.08 0.00 -1.01 0.00 0.00 66.70 64.64 2roh h VAL 71 Cb 0.77 1.62 -0.02 0.00 -2.01 0.00 0.00 31.29 31.64 2roh h VAL 71 CO -0.56 0.42 0.06 -0.78 -1.01 0.00 0.00 177.57 175.71 2roh h ASP 72 N 0.20 0.97 0.07 3.17 3.58 -0.74 0.06 116.42 123.74 2roh h ASP 72 Ca 0.02 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.19 2roh h ASP 72 Cb 0.74 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2roh h ASP 72 CO 0.06 1.01 -0.03 -0.07 -2.88 0.00 0.00 179.24 177.32 2roh h LEU 73 N 0.90 -0.08 -0.32 2.28 4.07 -0.97 0.30 115.31 121.49 2roh h LEU 73 Ca 0.18 -0.34 0.01 0.00 0.08 0.00 0.00 57.88 57.80 2roh h LEU 73 Cb 0.47 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 2roh h LEU 73 CO 0.02 0.31 0.19 0.50 -1.08 0.00 0.00 178.44 178.38 2roh h LYS 74 N -0.49 0.39 -0.68 1.13 1.63 -1.43 -0.43 116.57 116.69 2roh h LYS 74 Ca -0.01 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.70 2roh h LYS 74 Cb 0.42 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 2roh h LYS 74 CO 0.02 0.26 0.18 0.22 -3.45 0.00 0.00 179.45 176.67 2roh h ASP 75 N 0.40 1.00 -0.02 4.20 3.58 -1.00 -2.22 116.42 122.36 2roh h ASP 75 Ca 0.12 -0.20 -0.07 0.00 0.42 0.00 0.00 57.03 57.30 2roh h ASP 75 Cb -0.02 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 2roh h ASP 75 CO -0.04 0.96 -0.17 0.50 -2.88 0.00 0.00 179.24 177.60 2roh h LYS 76 N 1.02 0.36 0.07 0.28 3.64 -0.51 -2.15 116.57 119.28 2roh h LYS 76 Ca 0.22 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2roh h LYS 76 Cb 0.34 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2roh h LYS 76 CO -0.00 0.53 -0.03 2.35 -2.27 0.00 0.00 179.45 180.02 2roh h TRP 77 N 0.33 -0.09 -0.47 1.91 7.01 -0.66 -1.85 115.95 122.13 2roh h TRP 77 Ca 0.06 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.11 2roh h TRP 77 Cb 0.50 0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.54 2roh h TRP 77 CO 0.01 0.33 0.21 -0.22 -2.79 0.00 0.00 178.44 175.98 2roh h LYS 78 N -0.54 0.40 0.18 2.65 3.11 -1.34 -1.17 116.57 119.86 2roh h LYS 78 Ca -0.01 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 2roh h LYS 78 Cb 0.46 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.61 2roh h LYS 78 CO 0.02 0.26 -0.09 1.15 -2.81 0.00 0.00 179.45 177.98 2roh h THR 79 N 0.41 0.82 -0.48 1.00 2.02 -1.42 -2.16 112.91 113.10 2roh h THR 79 Ca 0.22 -0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.50 2roh h THR 79 Cb 0.17 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2roh h THR 79 CO -0.18 0.00 0.33 0.17 0.37 0.00 0.00 175.52 176.21 2roh h LEU 80 N -0.25 0.16 -0.27 2.58 8.10 -1.03 -1.39 115.31 123.22 2roh h LEU 80 Ca -0.03 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.91 2roh h LEU 80 Cb 0.19 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.37 2roh h LEU 80 CO 0.04 0.10 -0.07 0.58 -4.11 0.00 0.00 178.44 174.98 2roh h VAL 81 N 0.18 1.28 -0.84 0.15 2.07 -0.62 -0.83 116.25 117.64 2roh h VAL 81 Ca 0.22 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 2roh h VAL 81 Cb 0.65 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 2roh h VAL 81 CO -0.04 0.35 0.39 -0.74 0.02 0.00 0.00 177.57 177.55 2roh h HIS 82 N 0.28 1.22 -0.00 1.57 -0.00 -0.70 -0.38 115.15 117.14 2roh h HIS 82 Ca 0.07 -0.07 -0.13 0.00 -0.00 0.00 0.00 60.37 60.25 2roh h HIS 82 Cb 0.55 -0.38 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 2roh h HIS 82 CO 0.05 0.89 -0.60 1.15 -0.00 0.00 0.00 177.93 179.42 2roh h THR 83 N 1.20 1.43 -0.00 6.26 2.02 -1.31 -0.12 112.91 122.40 2roh h THR 83 Ca 0.29 -2.06 0.00 0.00 0.77 0.00 0.00 66.41 65.41 2roh h THR 83 Cb 0.14 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 2roh h THR 83 CO -0.03 0.59 -0.20 0.00 0.37 0.00 0.00 175.52 176.25 2roh n ALA 84 N -2.43 2.85 -0.10 6.16 0.00 -0.33 -3.83 120.51 122.83 2roh n ALA 84 Ca -0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.08 2roh n ALA 84 Cb 0.60 -1.32 -0.12 0.00 0.00 0.00 0.00 19.45 18.61 2roh n ALA 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2roh n SER 85 N -1.40 1.58 -3.50 0.00 2.88 -0.20 -4.99 113.62 108.00 2roh n SER 85 Ca 0.08 -0.06 -0.25 0.00 -1.33 0.00 0.00 58.87 57.31 2roh n SER 85 Cb 0.33 0.23 0.23 0.00 -0.75 0.00 0.00 64.21 64.24 2roh n SER 85 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2roh n ILE 86 N -2.92 0.00 -0.81 2.46 -5.35 -0.08 -4.91 119.36 107.76 2roh n ILE 86 Ca -0.34 -0.06 -0.33 0.00 -0.27 0.00 0.00 62.75 61.75 2roh n ILE 86 Cb 0.98 -0.76 0.12 0.00 -1.74 0.00 0.00 39.64 38.23 2roh n ILE 86 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2roh n ALA 87 N -5.14 -2.88 0.17 -1.28 0.00 -1.26 -4.61 120.51 105.52 2roh n ALA 87 Ca 0.09 -0.63 0.02 0.00 0.00 0.00 0.00 53.44 52.92 2roh n ALA 87 Cb 0.49 -1.74 0.30 0.00 0.00 0.00 0.00 19.45 18.49 2roh n ALA 87 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2roh h PRO 88 N -1.53 0.00 0.00 0.00 0.13 -1.95 0.19 132.00 128.84 2roh h PRO 88 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2roh h PRO 88 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2roh h PRO 88 CO 0.33 0.46 0.00 0.00 -0.23 0.00 0.00 178.00 178.56 2roh n GLN 89 N -3.91 0.71 -0.01 0.86 10.64 -1.26 -3.45 117.38 120.95 2roh n GLN 89 Ca -0.01 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.15 2roh n GLN 89 Cb 0.49 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.35 2roh n GLN 89 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2roh n GLN 90 N -1.14 3.57 0.25 2.61 6.02 -0.96 -4.62 117.38 123.11 2roh n GLN 90 Ca 0.19 -0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.29 2roh n GLN 90 Cb 0.17 -1.06 0.64 0.00 1.02 0.00 0.00 30.24 31.01 2roh n GLN 90 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2roh h ARG 91 N 0.00 0.00 -6.30 -1.09 0.11 -1.00 -3.44 114.38 102.66 2roh h ARG 91 Ca -0.06 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.37 2roh h ARG 91 Cb 1.12 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.24 2roh h ARG 91 CO 0.00 0.16 0.84 -2.13 0.10 0.00 0.00 179.97 178.94 2roh n ARG 92 N -3.64 1.69 0.00 0.08 0.63 -1.22 -4.78 116.66 109.42 2roh n ARG 92 Ca -0.01 0.62 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 2roh n ARG 92 Cb 0.29 -2.36 0.00 0.00 0.45 0.00 0.00 32.46 30.84 2roh n ARG 92 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2roh n GLY 93 N 3.71 0.21 3.83 5.14 0.00 -1.26 -5.10 105.19 111.72 2roh n GLY 93 Ca 0.21 0.23 -0.22 0.00 0.00 0.00 0.00 46.02 46.24 2roh n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2roh s ALA 94 N -1.38 3.62 -1.11 4.61 0.00 -1.26 -5.02 121.76 121.22 2roh s ALA 94 Ca 0.00 -1.44 -0.23 0.00 0.00 0.00 0.00 51.96 50.29 2roh s ALA 94 Cb 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 23.12 21.75 2roh s ALA 94 CO 0.00 0.23 1.94 -1.25 0.00 0.00 0.00 175.76 176.67 2roh s PRO 95 N -3.86 2.52 0.21 0.00 0.04 -1.26 -4.92 135.00 127.73 2roh s PRO 95 Ca 0.34 -0.92 0.11 0.00 0.04 0.00 0.00 61.00 60.56 2roh s PRO 95 Cb -0.08 -5.19 -0.05 0.00 0.04 0.00 0.00 34.50 29.22 2roh s PRO 95 CO 0.25 -3.81 -0.21 0.14 0.04 0.00 0.00 177.00 173.41 2roh s VAL 96 N 10.73 2.25 0.39 -0.36 -7.23 -1.26 -4.66 120.40 120.26 2roh s VAL 96 Ca 0.69 -2.12 -0.26 0.00 -1.81 0.00 0.00 61.98 58.47 2roh s VAL 96 Cb -0.02 -2.11 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 2roh s VAL 96 CO 0.09 -0.26 1.19 -2.16 -0.31 0.00 0.00 175.10 173.66 2roh s PRO 97 N -2.98 4.10 0.39 4.82 0.04 -1.26 -4.94 135.00 135.17 2roh s PRO 97 Ca 0.22 1.91 0.10 0.00 0.04 0.00 0.00 61.00 63.27 2roh s PRO 97 Cb -0.06 -2.75 0.79 0.00 0.04 0.00 0.00 34.50 32.51 2roh s PRO 97 CO 0.10 -0.30 1.91 -0.56 0.04 0.00 0.00 177.00 178.20 2roh h GLN 98 N 2.78 0.21 -0.35 4.56 3.07 -2.01 -2.26 115.11 121.12 2roh h GLN 98 Ca -0.49 -0.05 0.10 0.00 0.09 0.00 0.00 58.65 58.30 2roh h GLN 98 Cb 1.23 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.75 2roh h GLN 98 CO 0.63 0.37 0.29 1.05 0.09 0.00 0.00 178.83 181.26 2roh h GLU 99 N 0.20 0.00 -0.34 0.06 4.11 -1.99 -0.01 114.58 116.61 2roh h GLU 99 Ca 0.04 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.31 2roh h GLU 99 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2roh h GLU 99 CO 0.02 0.00 -0.43 -0.07 0.07 0.00 0.00 179.01 178.60 2roh h LEU 100 N 0.00 0.93 -0.58 3.06 4.07 -1.79 -1.68 115.31 119.32 2roh h LEU 100 Ca 0.17 -0.45 -0.12 0.00 0.08 0.00 0.00 57.88 57.56 2roh h LEU 100 Cb 0.74 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 2roh h LEU 100 CO -0.00 1.23 -0.57 -0.07 -1.08 0.00 0.00 178.44 177.95 2roh h LEU 101 N 0.70 0.00 -0.08 1.67 -0.00 -1.14 -2.30 115.31 114.15 2roh h LEU 101 Ca 0.05 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.68 2roh h LEU 101 Cb 1.02 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.69 2roh h LEU 101 CO 0.10 0.57 -0.96 -0.78 -0.00 0.00 0.00 178.44 177.37 2roh h ASP 102 N 0.00 0.85 -0.22 -0.43 3.58 -1.15 -2.06 116.42 116.99 2roh h ASP 102 Ca -0.01 -0.65 -0.14 0.00 0.42 0.00 0.00 57.03 56.66 2roh h ASP 102 Cb 1.18 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.97 2roh h ASP 102 CO 0.07 1.45 -0.39 0.08 -2.88 0.00 0.00 179.24 177.57 2roh h ARG 103 N 0.40 0.65 -0.58 0.28 0.11 -1.30 -0.82 114.38 113.12 2roh h ARG 103 Ca -0.10 -0.41 -0.10 0.00 0.10 0.00 0.00 59.98 59.47 2roh h ARG 103 Cb 1.60 0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.71 2roh h ARG 103 CO 0.19 1.03 -0.03 -0.39 0.10 0.00 0.00 179.97 180.86 2roh h VAL 104 N 0.35 1.26 0.13 0.08 -1.51 -1.49 0.46 116.25 115.53 2roh h VAL 104 Ca 0.01 -1.18 -0.01 0.00 -1.23 0.00 0.00 66.70 64.30 2roh h VAL 104 Cb 0.99 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 2roh h VAL 104 CO 0.09 0.42 -0.06 -0.07 -1.23 0.00 0.00 177.57 176.72 2roh h LEU 105 N 0.94 -0.15 -0.66 4.19 3.38 -1.37 -0.40 115.31 121.24 2roh h LEU 105 Ca 0.16 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2roh h LEU 105 Cb 0.58 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2roh h LEU 105 CO 0.03 0.34 0.44 0.00 0.09 0.00 0.00 178.44 179.34 2roh h ALA 106 N 0.06 0.84 -0.26 1.53 0.00 -1.16 -2.09 119.26 118.18 2roh h ALA 106 Ca -0.02 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2roh h ALA 106 Cb 0.51 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2roh h ALA 106 CO 0.03 0.27 -0.27 0.00 0.00 0.00 0.00 179.25 179.27 2roh h ALA 107 N 1.24 1.05 0.15 0.00 0.00 -0.95 -0.28 119.26 120.46 2roh h ALA 107 Ca 0.24 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2roh h ALA 107 Cb -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2roh h ALA 107 CO -0.05 0.58 -0.07 0.37 0.00 0.00 0.00 179.25 180.08 2roh h GLN 108 N 0.45 -0.19 0.00 0.00 -0.00 -0.52 0.28 115.11 115.13 2roh h GLN 108 Ca 0.06 0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.61 2roh h GLN 108 Cb 0.71 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.22 2roh h GLN 108 CO 0.05 -0.06 -0.54 0.00 0.00 0.00 0.00 178.83 178.28 2roh h ALA 109 N 0.57 1.02 -0.15 3.38 0.00 -1.36 -2.59 119.26 120.13 2roh h ALA 109 Ca -0.02 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 2roh h ALA 109 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2roh h ALA 109 CO 0.03 0.68 -0.41 1.88 0.00 0.00 0.00 179.25 181.43 2roh h TYR 110 N 0.00 0.70 0.00 0.00 -1.99 -0.80 -3.05 116.97 111.83 2roh h TYR 110 Ca -0.01 -0.27 0.00 0.00 2.00 0.00 0.00 58.73 60.45 2roh h TYR 110 Cb 1.01 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.62 2roh h TYR 110 CO 0.00 1.03 0.00 -1.49 -0.00 0.00 0.00 178.16 177.70 2roh h TRP 111 N 0.18 0.00 -1.90 4.88 -0.00 -0.42 -3.43 115.95 115.26 2roh h TRP 111 Ca -0.01 0.00 -0.55 0.00 -0.00 0.00 0.00 58.89 58.33 2roh h TRP 111 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.19 2roh h TRP 111 CO 0.10 0.00 1.53 0.45 -0.00 0.00 0.00 178.44 180.52 2roh s SER 112 N -5.41 5.14 -0.08 -3.49 0.15 -0.98 -4.74 113.70 104.28 2roh s SER 112 Ca 0.02 1.60 0.02 0.00 0.70 0.00 0.00 55.95 58.29 2roh s SER 112 Cb 0.09 -2.51 -0.06 0.00 -1.71 0.00 0.00 66.02 61.83 2roh s SER 112 CO 0.52 -2.25 -0.06 0.55 1.20 0.00 0.00 173.24 173.21 2roh n VAL 113 N 7.82 0.50 -3.48 4.45 3.14 -1.26 -5.02 118.33 124.48 2roh n VAL 113 Ca 0.32 -0.22 -0.13 0.00 -2.96 0.00 0.00 64.34 61.36 2roh n VAL 113 Cb 0.48 -0.81 -0.03 0.00 -1.06 0.00 0.00 33.84 32.41 2roh n VAL 113 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 2roh s ASP 114 N -4.65 -0.53 -1.05 6.55 -4.77 -1.26 -5.09 116.67 105.86 2roh s ASP 114 Ca -0.10 0.23 -0.20 0.00 -3.30 0.00 0.00 52.55 49.17 2roh s ASP 114 Cb 0.03 0.50 0.09 0.00 -1.09 0.00 0.00 42.92 42.45 2roh s ASP 114 CO 0.22 -0.73 1.40 -0.94 0.70 0.00 0.00 175.17 175.83 2roh s SER 115 N -2.11 6.64 -0.03 2.11 1.04 -1.26 -4.94 113.70 115.15 2roh s SER 115 Ca -0.02 -1.90 -0.02 0.00 0.48 0.00 0.00 55.95 54.50 2roh s SER 115 Cb -0.01 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.61 2roh s SER 115 CO -0.05 -1.27 0.06 -0.44 0.98 0.00 0.00 173.24 172.53 2roh s SER 116 N 4.31 -0.05 0.00 7.02 0.01 -1.26 -5.13 113.70 118.60 2roh s SER 116 Ca 0.43 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2roh s SER 116 Cb -0.01 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.33 2roh s SER 116 CO -0.06 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2roh n GLY 117 N 3.29 3.85 3.63 3.44 0.00 -1.26 -5.17 105.19 112.97 2roh n GLY 117 Ca -0.15 -1.69 -0.01 0.00 0.00 0.00 0.00 46.02 44.17 2roh n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2roh s ARG 118 N -3.28 0.53 -0.58 1.61 3.52 -1.26 -5.09 118.95 114.40 2roh s ARG 118 Ca 0.00 -0.28 -0.26 0.00 -0.13 0.00 0.00 55.73 55.06 2roh s ARG 118 Cb 0.00 0.19 -0.09 0.00 -1.56 0.00 0.00 34.95 33.49 2roh s ARG 118 CO 0.00 -0.24 2.42 -0.89 -0.81 0.00 0.00 175.30 175.78 2roh n ILE 119 N -0.41 -0.06 -3.69 4.11 2.08 -1.26 -4.87 119.36 115.25 2roh n ILE 119 Ca -0.07 -0.72 -0.11 0.00 0.56 0.00 0.00 62.75 62.42 2roh n ILE 119 Cb 0.62 -2.57 -0.10 0.00 -0.75 0.00 0.00 39.64 36.84 2roh n ILE 119 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2roh s VAL 120 N 12.93 -0.01 -0.13 1.39 0.11 -1.26 -5.06 120.40 128.36 2roh s VAL 120 Ca 0.97 0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 60.02 2roh s VAL 120 Cb -0.17 -0.69 -0.07 0.00 -1.53 0.00 0.00 36.38 33.92 2roh s VAL 120 CO 0.22 0.02 -0.15 0.41 -3.33 0.00 0.00 175.10 172.26 2roh n THR 121 N 3.72 0.73 0.08 5.04 -1.04 -1.26 -5.24 114.28 116.32 2roh n THR 121 Ca -0.19 -0.22 0.01 0.00 -2.04 0.00 0.00 64.05 61.61 2roh n THR 121 Cb 0.56 -1.45 0.01 0.00 -1.82 0.00 0.00 70.33 67.63 2roh n THR 121 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32