#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 0.00 -4.55 1.61 2.88 -1.26 -5.09 113.62 107.21 2roh n SER 2 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 2roh n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 0.00 2.61 -0.44 -1.46 0.04 -1.26 -4.95 135.00 129.54 2roh s PRO 3 Ca 0.00 0.43 -0.17 0.00 0.04 0.00 0.00 61.00 61.29 2roh s PRO 3 Cb 0.00 -4.53 0.04 0.00 0.04 0.00 0.00 34.50 30.05 2roh s PRO 3 CO 0.00 -2.87 0.45 -0.06 0.04 0.00 0.00 177.00 174.56 2roh s PHE 4 N 9.30 3.17 -0.03 0.56 0.08 -1.26 -5.05 117.98 124.75 2roh s PHE 4 Ca 0.68 -0.52 0.06 0.00 0.12 0.00 0.00 56.93 57.27 2roh s PHE 4 Cb -0.11 -3.03 -0.01 0.00 -0.57 0.00 0.00 43.02 39.29 2roh s PHE 4 CO 0.16 -0.77 -0.22 0.00 -0.10 0.00 0.00 175.22 174.30 2roh s ALA 5 N 2.10 1.85 0.27 5.36 0.00 -1.26 -5.14 121.76 124.93 2roh s ALA 5 Ca 0.11 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.23 2roh s ALA 5 Cb -0.19 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 2roh s ALA 5 CO 0.12 0.42 0.03 0.16 0.00 0.00 0.00 175.76 176.48 2roh s ASP 6 N -0.36 4.71 1.24 0.00 1.47 -1.26 -5.14 116.67 117.33 2roh s ASP 6 Ca 0.04 -0.58 -0.20 0.00 1.18 0.00 0.00 52.55 52.99 2roh s ASP 6 Cb -0.10 -0.93 0.30 0.00 -0.34 0.00 0.00 42.92 41.84 2roh s ASP 6 CO 0.01 -0.01 1.06 -0.81 0.68 0.00 0.00 175.17 176.09 2roh n PRO 7 N -0.95 -3.08 -4.06 2.11 -0.04 -1.26 -5.04 135.00 122.69 2roh n PRO 7 Ca -0.07 -1.69 -0.32 0.00 -0.04 0.00 0.00 63.50 61.38 2roh n PRO 7 Cb 0.59 -1.58 -0.15 0.00 -0.04 0.00 0.00 33.50 32.31 2roh n PRO 7 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2roh s ASN 8 N -4.36 4.49 0.02 3.54 0.01 -1.26 -5.10 114.94 112.28 2roh s ASN 8 Ca 0.69 -1.52 0.03 0.00 -0.71 0.00 0.00 52.86 51.34 2roh s ASN 8 Cb -0.07 -1.55 -0.01 0.00 0.41 0.00 0.00 41.25 40.03 2roh s ASN 8 CO 0.53 -0.22 -0.09 -0.94 -1.51 0.00 0.00 177.10 174.86 2roh s SER 9 N 1.08 1.04 0.51 -1.22 1.04 -1.26 -5.16 113.70 109.73 2roh s SER 9 Ca -0.06 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.10 2roh s SER 9 Cb -0.20 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 65.88 2roh s SER 9 CO -0.06 -0.01 0.30 -0.76 0.98 0.00 0.00 173.24 173.70 2roh s LEU 10 N -0.80 2.72 -0.74 2.42 1.43 -1.26 -5.09 118.68 117.36 2roh s LEU 10 Ca -0.01 -1.27 0.04 0.00 -1.03 0.00 0.00 54.13 51.86 2roh s LEU 10 Cb -0.06 -1.19 0.18 0.00 0.03 0.00 0.00 46.19 45.15 2roh s LEU 10 CO 0.00 -0.96 0.54 0.00 0.23 0.00 0.00 176.35 176.17 2roh s ALA 11 N -2.75 3.89 -0.51 4.21 0.00 -1.26 -4.93 121.76 120.42 2roh s ALA 11 Ca 0.31 -3.84 -0.02 0.00 0.00 0.00 0.00 51.96 48.41 2roh s ALA 11 Cb -0.01 -2.28 0.27 0.00 0.00 0.00 0.00 23.12 21.10 2roh s ALA 11 CO 0.18 -2.11 2.18 1.28 0.00 0.00 0.00 175.76 177.30 2roh n LEU 12 N 2.04 6.96 -4.19 0.00 4.32 -1.26 -4.78 117.00 120.09 2roh n LEU 12 Ca 0.20 -3.92 -0.39 0.00 -0.02 0.00 0.00 56.01 51.88 2roh n LEU 12 Cb 0.35 -1.07 -0.04 0.00 -1.62 0.00 0.00 43.42 41.04 2roh n LEU 12 CO 0.29 1.46 0.48 0.00 -1.22 0.00 0.00 177.39 178.40 2roh s ALA 13 N -2.64 4.38 0.30 -1.18 0.00 -1.26 -5.06 121.76 116.31 2roh s ALA 13 Ca 0.49 -3.81 -0.11 0.00 0.00 0.00 0.00 51.96 48.52 2roh s ALA 13 Cb 0.37 -3.07 -0.08 0.00 0.00 0.00 0.00 23.12 20.34 2roh s ALA 13 CO -0.10 -2.17 0.66 -0.80 0.00 0.00 0.00 175.76 173.35 2roh s ASN 14 N 0.39 6.65 -0.16 0.00 -0.87 -1.26 -5.08 114.94 114.62 2roh s ASN 14 Ca 0.28 1.08 -0.07 0.00 -1.57 0.00 0.00 52.86 52.58 2roh s ASN 14 Cb -0.09 -2.29 -0.04 0.00 -0.02 0.00 0.00 41.25 38.81 2roh s ASN 14 CO -0.11 -0.19 0.07 -0.69 -2.57 0.00 0.00 177.10 173.61 2roh s VAL 15 N -1.99 4.86 0.03 1.60 1.01 -1.26 -5.07 120.40 119.58 2roh s VAL 15 Ca 0.50 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 2roh s VAL 15 Cb -0.11 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.06 2roh s VAL 15 CO 0.22 0.51 1.42 -2.16 0.00 0.00 0.00 175.10 175.09 2roh s PRO 16 N -0.08 4.29 -0.28 2.72 0.04 -1.26 -5.01 135.00 135.42 2roh s PRO 16 Ca 0.07 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.02 2roh s PRO 16 Cb -0.12 -3.50 -0.05 0.00 0.04 0.00 0.00 34.50 30.87 2roh s PRO 16 CO 0.01 -0.55 0.19 -0.51 0.04 0.00 0.00 177.00 176.17 2roh s LEU 17 N 2.11 4.02 0.03 -3.56 1.43 -1.26 -5.08 118.68 116.37 2roh s LEU 17 Ca 0.65 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.80 2roh s LEU 17 Cb -0.33 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 2roh s LEU 17 CO 0.28 -0.05 -0.15 -0.94 0.23 0.00 0.00 176.35 175.73 2roh s SER 18 N 1.74 4.04 -0.09 2.29 1.04 -1.26 -5.13 113.70 116.33 2roh s SER 18 Ca 0.07 -0.35 -0.30 0.00 0.48 0.00 0.00 55.95 55.85 2roh s SER 18 Cb -0.16 -0.74 0.10 0.00 0.10 0.00 0.00 66.02 65.31 2roh s SER 18 CO 0.11 0.26 0.82 0.00 0.98 0.00 0.00 173.24 175.41 2roh s ARG 19 N -1.46 0.86 0.50 4.02 1.70 -1.26 -5.16 118.95 118.15 2roh s ARG 19 Ca 0.16 0.17 -0.21 0.00 -0.47 0.00 0.00 55.73 55.37 2roh s ARG 19 Cb -0.11 0.40 -0.06 0.00 -0.57 0.00 0.00 34.95 34.61 2roh s ARG 19 CO 0.06 -0.28 1.16 0.45 -1.08 0.00 0.00 175.30 175.61 2roh s SER 20 N -1.25 5.91 -0.40 -2.89 0.15 -1.26 -4.95 113.70 109.00 2roh s SER 20 Ca -0.06 2.27 0.05 0.00 0.70 0.00 0.00 55.95 58.91 2roh s SER 20 Cb -0.00 -2.59 0.53 0.00 -1.71 0.00 0.00 66.02 62.24 2roh s SER 20 CO 0.05 -1.09 1.64 0.29 1.20 0.00 0.00 173.24 175.32 2roh n LYS 21 N -0.90 2.32 -3.22 5.44 4.76 -1.26 -4.95 118.16 120.35 2roh n LYS 21 Ca 0.10 -3.30 -0.06 0.00 -2.87 0.00 0.00 58.31 52.17 2roh n LYS 21 Cb 0.49 -2.05 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 2roh n LYS 21 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2roh n ARG 22 N -1.04 -1.40 -2.26 1.97 1.74 -1.26 -4.94 116.66 109.47 2roh n ARG 22 Ca 0.46 1.31 -0.38 0.00 -0.77 0.00 0.00 57.85 58.48 2roh n ARG 22 Cb 1.11 -5.10 -0.01 0.00 -1.02 0.00 0.00 32.46 27.43 2roh n ARG 22 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2roh s PRO 23 N -3.49 3.90 1.05 5.56 0.04 -1.26 -5.00 135.00 135.79 2roh s PRO 23 Ca 0.03 1.83 -0.14 0.00 0.04 0.00 0.00 61.00 62.77 2roh s PRO 23 Cb -0.01 -2.54 0.15 0.00 0.04 0.00 0.00 34.50 32.14 2roh s PRO 23 CO 0.78 -0.45 0.64 -0.40 0.04 0.00 0.00 177.00 177.60 2roh n ASP 24 N -0.21 -1.52 -3.66 6.66 5.75 -1.26 -3.62 116.55 118.69 2roh n ASP 24 Ca 0.06 0.10 -0.21 0.00 -0.01 0.00 0.00 54.79 54.73 2roh n ASP 24 Cb 0.47 -1.22 0.04 0.00 -1.03 0.00 0.00 41.12 39.38 2roh n ASP 24 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2roh n PHE 25 N -4.33 -1.95 -3.60 2.11 7.35 -1.26 -4.99 117.46 110.79 2roh n PHE 25 Ca 0.05 0.85 -0.21 0.00 -0.76 0.00 0.00 57.45 57.38 2roh n PHE 25 Cb 0.55 -4.47 -0.16 0.00 0.35 0.00 0.00 39.48 35.76 2roh n PHE 25 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2roh s GLY 26 N -4.34 0.18 0.51 7.13 0.00 -1.24 -5.15 107.32 104.42 2roh s GLY 26 Ca 0.01 0.08 0.07 0.00 0.00 0.00 0.00 44.72 44.88 2roh s GLY 26 CO 0.80 1.77 0.43 1.20 0.00 0.00 0.00 173.10 177.30 2roh s GLN 27 N 2.22 2.33 1.30 2.90 1.11 -1.26 -5.02 119.66 123.23 2roh s GLN 27 Ca 0.04 -1.85 -0.17 0.00 0.01 0.00 0.00 55.36 53.39 2roh s GLN 27 Cb -0.15 -2.22 0.32 0.00 -1.01 0.00 0.00 33.01 29.96 2roh s GLN 27 CO -0.08 -0.52 0.91 0.54 0.01 0.00 0.00 175.29 176.15 2roh n ARG 28 N -1.74 -3.40 -4.41 2.91 5.12 -1.26 -5.05 116.66 108.83 2roh n ARG 28 Ca 0.02 -0.98 -0.24 0.00 -1.93 0.00 0.00 57.85 54.72 2roh n ARG 28 Cb 0.63 -2.04 -0.11 0.00 -1.16 0.00 0.00 32.46 29.78 2roh n ARG 28 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2roh s ARG 29 N -4.55 1.50 -0.09 5.56 0.52 -1.26 -5.05 118.95 115.57 2roh s ARG 29 Ca 0.67 -1.59 0.07 0.00 -0.52 0.00 0.00 55.73 54.37 2roh s ARG 29 Cb -0.20 -1.63 -0.11 0.00 0.52 0.00 0.00 34.95 33.53 2roh s ARG 29 CO 0.62 0.32 0.02 -0.89 0.02 0.00 0.00 175.30 175.40 2roh n ILE 30 N -0.10 0.62 0.31 1.52 -0.00 -1.26 -4.50 119.36 115.96 2roh n ILE 30 Ca -0.10 -0.37 0.20 0.00 -0.00 0.00 0.00 62.75 62.48 2roh n ILE 30 Cb 0.58 -0.77 1.04 0.00 -0.00 0.00 0.00 39.64 40.49 2roh n ILE 30 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.55 176.46 2roh h ARG 31 N 0.00 0.00 -7.15 0.38 2.43 -2.05 -3.43 114.38 104.57 2roh h ARG 31 Ca -0.25 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.43 2roh h ARG 31 Cb 1.54 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 31.14 2roh h ARG 31 CO 0.01 0.00 0.25 1.03 -1.51 0.00 0.00 179.97 179.75 2roh s ARG 32 N -3.98 3.48 1.20 0.20 0.52 -1.26 -5.08 118.95 114.04 2roh s ARG 32 Ca -0.04 0.42 -0.19 0.00 -0.52 0.00 0.00 55.73 55.40 2roh s ARG 32 Cb 0.11 -2.23 0.29 0.00 0.52 0.00 0.00 34.95 33.64 2roh s ARG 32 CO 0.39 -0.43 1.11 -1.25 0.02 0.00 0.00 175.30 175.14 2roh s PRO 33 N -4.97 -1.21 1.05 3.54 0.04 -1.26 -5.01 135.00 127.18 2roh s PRO 33 Ca 0.51 -0.06 -0.11 0.00 0.04 0.00 0.00 61.00 61.38 2roh s PRO 33 Cb -0.11 -1.60 0.22 0.00 0.04 0.00 0.00 34.50 33.06 2roh s PRO 33 CO 0.49 -3.71 1.09 -0.59 0.04 0.00 0.00 177.00 174.32 2roh s PHE 34 N -3.01 1.42 0.29 0.56 -0.12 -1.26 -5.04 117.98 110.82 2roh s PHE 34 Ca 0.71 1.52 0.08 0.00 -0.05 0.00 0.00 56.93 59.19 2roh s PHE 34 Cb -0.10 -3.23 -0.04 0.00 -0.63 0.00 0.00 43.02 39.03 2roh s PHE 34 CO 0.56 -3.42 0.10 -0.08 -0.05 0.00 0.00 175.22 172.33 2roh s THR 35 N -2.53 3.59 0.31 -4.49 -1.32 -1.26 -4.96 115.64 104.98 2roh s THR 35 Ca 0.68 -1.70 0.06 0.00 -1.21 0.00 0.00 61.69 59.52 2roh s THR 35 Cb -0.24 -3.03 0.30 0.00 -1.51 0.00 0.00 72.50 68.02 2roh s THR 35 CO 0.62 -0.31 1.79 1.62 -2.21 0.00 0.00 174.62 176.13 2roh h VAL 36 N 1.67 0.73 -0.08 5.08 3.04 -1.96 0.15 116.25 124.87 2roh h VAL 36 Ca -0.45 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 64.97 2roh h VAL 36 Cb 1.25 -0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 30.42 2roh h VAL 36 CO 0.61 0.14 0.03 0.00 -1.01 0.00 0.00 177.57 177.34 2roh h ALA 37 N 1.63 0.11 -0.06 3.17 0.00 -1.98 0.18 119.26 122.31 2roh h ALA 37 Ca 0.56 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 2roh h ALA 37 Cb 0.88 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2roh h ALA 37 CO -0.35 -0.30 0.02 0.93 0.00 0.00 0.00 179.25 179.55 2roh h GLU 38 N -0.04 0.09 -0.18 0.00 4.39 -1.63 -0.78 114.58 116.43 2roh h GLU 38 Ca 0.03 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 2roh h GLU 38 Cb 0.19 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2roh h GLU 38 CO -0.00 0.23 -0.05 0.28 -1.16 0.00 0.00 179.01 178.31 2roh h VAL 39 N -0.07 1.15 -0.10 3.13 2.07 -0.74 -1.89 116.25 119.80 2roh h VAL 39 Ca 0.02 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 2roh h VAL 39 Cb 0.18 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2roh h VAL 39 CO -0.00 0.20 -0.13 -0.33 0.02 0.00 0.00 177.57 177.32 2roh h GLU 40 N 0.26 0.26 -0.43 1.57 5.08 -0.36 -1.77 114.58 119.19 2roh h GLU 40 Ca 0.06 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2roh h GLU 40 Cb 0.27 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2roh h GLU 40 CO 0.01 0.71 0.28 -0.07 -1.00 0.00 0.00 179.01 178.95 2roh h LEU 41 N -0.16 0.50 0.88 1.33 3.38 -0.91 0.12 115.31 120.45 2roh h LEU 41 Ca 0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2roh h LEU 41 Cb 0.68 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.31 2roh h LEU 41 CO 0.03 0.37 -0.42 0.25 0.09 0.00 0.00 178.44 178.76 2roh h LEU 42 N 0.59 -1.00 -2.07 1.67 6.46 -1.38 0.07 115.31 119.64 2roh h LEU 42 Ca 0.16 0.03 0.09 0.00 -0.12 0.00 0.00 57.88 58.04 2roh h LEU 42 Cb -0.06 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 2roh h LEU 42 CO -0.03 -0.66 0.25 0.58 -0.62 0.00 0.00 178.44 177.96 2roh h VAL 43 N -1.29 0.70 0.01 1.05 2.07 -1.29 0.78 116.25 118.28 2roh h VAL 43 Ca -0.12 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.21 2roh h VAL 43 Cb 0.91 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2roh h VAL 43 CO 0.20 0.00 -0.87 -0.08 0.02 0.00 0.00 177.57 176.84 2roh h GLU 44 N 0.00 0.06 -0.07 1.57 4.57 -0.46 -1.30 114.58 118.95 2roh h GLU 44 Ca 0.15 -0.08 -0.18 0.00 -1.18 0.00 0.00 59.36 58.07 2roh h GLU 44 Cb 0.65 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.27 2roh h GLU 44 CO -0.00 0.89 -0.66 0.00 -1.18 0.00 0.00 179.01 178.06 2roh h ALA 45 N 1.08 0.17 -0.01 2.92 0.00 0.12 -1.54 119.26 122.00 2roh h ALA 45 Ca -0.02 -0.57 -0.19 0.00 0.00 0.00 0.00 54.91 54.13 2roh h ALA 45 Cb 1.52 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2roh h ALA 45 CO 0.12 0.47 -0.83 -0.24 0.00 0.00 0.00 179.25 178.78 2roh h VAL 46 N 0.18 1.46 -0.09 0.00 3.04 -1.34 -2.47 116.25 117.03 2roh h VAL 46 Ca -0.06 -2.48 -0.07 0.00 -1.01 0.00 0.00 66.70 63.08 2roh h VAL 46 Cb 1.32 2.37 0.00 0.00 -2.01 0.00 0.00 31.29 32.97 2roh h VAL 46 CO 0.13 0.73 -0.23 -0.08 -1.01 0.00 0.00 177.57 177.10 2roh h GLU 47 N 0.14 0.31 -0.63 4.17 4.57 -1.29 0.45 114.58 122.31 2roh h GLU 47 Ca -0.04 -0.22 -0.04 0.00 -1.18 0.00 0.00 59.36 57.88 2roh h GLU 47 Cb 1.43 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 30.03 2roh h GLU 47 CO 0.13 0.83 0.25 1.25 -1.18 0.00 0.00 179.01 180.30 2roh h HIS 48 N -0.15 0.95 -0.01 0.92 2.76 -1.35 -2.34 115.15 115.94 2roh h HIS 48 Ca -0.00 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2roh h HIS 48 Cb 0.85 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2roh h HIS 48 CO 0.12 0.75 -0.24 1.28 -1.30 0.00 0.00 177.93 178.54 2roh n LEU 49 N -4.44 0.75 0.00 0.26 4.77 -0.93 -5.04 117.00 112.36 2roh n LEU 49 Ca 0.04 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2roh n LEU 49 Cb 0.17 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2roh n LEU 49 CO 0.39 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2roh n GLY 50 N 1.35 -0.03 3.09 -0.72 0.00 0.16 -4.31 105.19 104.73 2roh n GLY 50 Ca 0.12 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 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 3.32 0.08 2.61 5.66 -1.26 -4.56 114.28 120.13 2roh n THR 51 Ca 0.00 -5.21 0.00 0.00 -3.05 0.00 0.00 64.05 55.79 2roh n THR 51 Cb 0.00 -2.37 0.00 0.00 -1.55 0.00 0.00 70.33 66.41 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 2.19 -0.74 3.49 1.09 0.00 -1.26 -5.07 105.19 104.89 2roh n GLY 52 Ca 0.23 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.45 3.16 0.21 1.61 3.00 -1.26 -4.94 118.95 119.28 2roh s ARG 53 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 55.73 55.00 2roh s ARG 53 Cb 0.00 -3.94 0.18 0.00 0.00 0.00 0.00 34.95 31.19 2roh s ARG 53 CO 0.00 -0.78 1.54 -1.49 0.00 0.00 0.00 175.30 174.57 2roh h TRP 54 N 8.67 0.51 -0.05 -0.53 6.55 -1.95 -3.01 115.95 126.14 2roh h TRP 54 Ca -0.27 -0.19 -0.09 0.00 0.95 0.00 0.00 58.89 59.29 2roh h TRP 54 Cb 1.12 -0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 29.31 2roh h TRP 54 CO 0.62 0.88 -0.39 0.07 -1.05 0.00 0.00 178.44 178.58 2roh h ARG 55 N 0.31 0.10 -0.08 0.49 0.11 -1.92 -1.97 114.38 111.42 2roh h ARG 55 Ca 0.00 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 2roh h ARG 55 Cb 1.09 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 2roh h ARG 55 CO 0.10 0.48 0.03 0.22 0.10 0.00 0.00 179.97 180.90 2roh h ASP 56 N 0.09 0.11 0.36 0.08 1.82 -1.95 -2.05 116.42 114.88 2roh h ASP 56 Ca 0.01 -0.18 -0.11 0.00 -0.39 0.00 0.00 57.03 56.37 2roh h ASP 56 Cb 0.73 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.69 2roh h ASP 56 CO 0.05 0.26 -0.46 1.62 -1.61 0.00 0.00 179.24 179.11 2roh h VAL 57 N -0.04 1.33 -0.60 2.25 3.04 -1.52 0.34 116.25 121.05 2roh h VAL 57 Ca 0.03 -1.61 -0.04 0.00 -1.01 0.00 0.00 66.70 64.07 2roh h VAL 57 Cb 0.18 1.80 -0.03 0.00 -2.01 0.00 0.00 31.29 31.24 2roh h VAL 57 CO -0.00 0.47 0.22 0.50 -1.01 0.00 0.00 177.57 177.75 2roh h LYS 58 N 0.10 0.92 0.08 4.17 3.64 -1.15 -0.99 116.57 123.33 2roh h LYS 58 Ca 0.01 -0.18 -0.23 0.00 -1.27 0.00 0.00 60.65 58.98 2roh h LYS 58 Cb 0.85 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2roh h LYS 58 CO 0.06 0.80 -1.18 0.35 -2.27 0.00 0.00 179.45 177.22 2roh h PHE 59 N 0.85 0.29 -0.42 1.91 3.57 -1.26 -3.11 116.94 118.77 2roh h PHE 59 Ca 0.20 -0.21 0.12 0.00 3.53 0.00 0.00 57.97 61.61 2roh h PHE 59 Cb 0.24 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2roh h PHE 59 CO 0.01 1.46 0.30 -0.09 -2.23 0.00 0.00 178.31 177.77 2roh h ARG 60 N -0.55 0.00 0.00 1.11 9.65 -0.36 -3.24 114.38 120.99 2roh h ARG 60 Ca -0.27 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 2roh h ARG 60 Cb 1.56 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.14 2roh h ARG 60 CO -0.00 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.77 2roh n ALA 61 N -2.62 0.00 -3.15 2.80 0.00 -0.38 -4.87 120.51 112.29 2roh n ALA 61 Ca 0.07 -0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.56 2roh n ALA 61 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.37 -0.99 -0.38 0.00 0.08 -1.18 -4.89 117.98 110.25 2roh s PHE 62 Ca 0.00 0.87 0.01 0.00 0.12 0.00 0.00 56.93 57.93 2roh s PHE 62 Cb 0.00 0.28 0.38 0.00 -0.57 0.00 0.00 43.02 43.11 2roh s PHE 62 CO 0.00 -0.56 1.82 -0.85 -0.10 0.00 0.00 175.22 175.53 2roh n GLU 63 N 5.38 1.99 -0.48 0.44 0.28 -1.24 -3.80 120.64 123.21 2roh n GLU 63 Ca -0.00 -2.13 0.00 0.00 -0.16 0.00 0.00 57.16 54.87 2roh n GLU 63 Cb 0.54 -1.83 0.00 0.00 1.43 0.00 0.00 31.44 31.57 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 -0.39 0.00 -4.62 -1.84 5.15 -1.26 -5.08 115.26 107.22 2roh n ASN 64 Ca 0.42 -1.41 -0.23 0.00 -0.60 0.00 0.00 54.58 52.75 2roh n ASN 64 Cb 0.97 -0.08 -0.08 0.00 -0.53 0.00 0.00 39.78 40.06 2roh n ASN 64 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2roh s VAL 65 N 0.00 3.33 0.31 3.44 -7.23 -1.25 -5.09 120.40 113.92 2roh s VAL 65 Ca 0.00 -1.96 -0.28 0.00 -1.81 0.00 0.00 61.98 57.93 2roh s VAL 65 Cb 0.00 -2.77 -0.13 0.00 0.56 0.00 0.00 36.38 34.03 2roh s VAL 65 CO 0.00 -0.37 1.08 1.41 -0.31 0.00 0.00 175.10 176.91 2roh n HIS 66 N -0.83 1.51 -3.53 2.82 8.25 -1.26 -2.87 115.22 119.32 2roh n HIS 66 Ca -0.06 0.66 -0.23 0.00 -0.26 0.00 0.00 57.72 57.82 2roh n HIS 66 Cb 0.59 -2.29 0.03 0.00 1.12 0.00 0.00 29.99 29.44 2roh n HIS 66 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2roh n HIS 67 N 0.19 -2.19 -2.19 4.41 8.25 -1.26 -4.87 115.22 117.56 2roh n HIS 67 Ca 0.08 0.68 -0.41 0.00 -0.26 0.00 0.00 57.72 57.81 2roh n HIS 67 Cb 0.34 -3.56 0.00 0.00 1.12 0.00 0.00 29.99 27.89 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 -3.42 4.63 -4.17 -0.41 1.85 -1.14 -4.86 116.66 109.14 2roh n ARG 68 Ca -0.10 -3.73 -0.34 0.00 -1.00 0.00 0.00 57.85 52.67 2roh n ARG 68 Cb 0.59 -2.63 -0.11 0.00 -1.05 0.00 0.00 32.46 29.25 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 -1.61 4.23 0.26 8.89 2.01 -1.26 -5.00 115.64 123.16 2roh s THR 69 Ca 0.49 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.24 2roh s THR 69 Cb 0.17 -2.89 0.25 0.00 0.01 0.00 0.00 72.50 70.04 2roh s THR 69 CO -0.08 0.46 1.70 0.10 -0.69 0.00 0.00 174.62 176.11 2roh h TYR 70 N 6.96 0.46 -0.21 4.92 -0.00 -1.93 0.33 116.97 127.52 2roh h TYR 70 Ca -0.34 0.04 -0.06 0.00 -0.00 0.00 0.00 58.73 58.36 2roh h TYR 70 Cb 1.18 -0.08 -0.01 0.00 -0.00 0.00 0.00 36.73 37.82 2roh h TYR 70 CO 0.56 -0.04 -0.16 -0.24 -0.00 0.00 0.00 178.16 178.29 2roh h VAL 71 N 0.36 1.21 -0.55 -0.90 3.04 -1.94 -2.33 116.25 115.13 2roh h VAL 71 Ca 0.47 -0.96 -0.09 0.00 -1.01 0.00 0.00 66.70 65.11 2roh h VAL 71 Cb 0.82 1.23 -0.02 0.00 -2.01 0.00 0.00 31.29 31.32 2roh h VAL 71 CO -0.50 0.30 -0.02 -0.78 -1.01 0.00 0.00 177.57 175.56 2roh h ASP 72 N 0.32 0.97 -0.02 3.17 3.58 -0.75 0.20 116.42 123.89 2roh h ASP 72 Ca 0.06 -0.32 -0.00 0.00 0.42 0.00 0.00 57.03 57.19 2roh h ASP 72 Cb 0.47 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 2roh h ASP 72 CO 0.03 1.06 0.00 -0.07 -2.88 0.00 0.00 179.24 177.37 2roh h LEU 73 N 0.87 0.04 -0.33 2.28 4.07 -0.99 0.22 115.31 121.47 2roh h LEU 73 Ca 0.15 -0.31 -0.05 0.00 0.08 0.00 0.00 57.88 57.76 2roh h LEU 73 Cb 0.57 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 2roh h LEU 73 CO 0.03 0.33 0.03 0.50 -1.08 0.00 0.00 178.44 178.26 2roh h LYS 74 N -0.26 0.56 -0.57 1.13 3.11 -1.41 -1.68 116.57 117.45 2roh h LYS 74 Ca 0.01 -0.16 -0.08 0.00 -2.81 0.00 0.00 60.65 57.61 2roh h LYS 74 Cb 0.31 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.46 2roh h LYS 74 CO 0.00 0.67 0.05 0.22 -2.81 0.00 0.00 179.45 177.58 2roh h ASP 75 N 0.37 0.90 -0.15 4.20 3.58 -0.61 -2.17 116.42 122.55 2roh h ASP 75 Ca 0.10 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 2roh h ASP 75 Cb 0.40 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2roh h ASP 75 CO 0.01 0.93 0.05 0.50 -2.88 0.00 0.00 179.24 177.85 2roh h LYS 76 N 0.88 0.23 0.17 0.28 1.63 -0.41 0.50 116.57 119.84 2roh h LYS 76 Ca 0.17 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2roh h LYS 76 Cb 0.44 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 2roh h LYS 76 CO 0.02 0.35 -0.15 2.35 -3.45 0.00 0.00 179.45 178.56 2roh h TRP 77 N 0.06 -0.39 -0.27 1.91 7.01 -1.19 0.22 115.95 123.29 2roh h TRP 77 Ca 0.05 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.06 2roh h TRP 77 Cb 0.21 0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 2roh h TRP 77 CO -0.00 -0.23 0.16 -0.22 -2.79 0.00 0.00 178.44 175.36 2roh h LYS 78 N -0.34 0.32 0.17 2.65 1.63 -1.37 -0.85 116.57 118.78 2roh h LYS 78 Ca -0.00 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2roh h LYS 78 Cb 0.32 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.87 2roh h LYS 78 CO -0.03 0.22 -0.11 1.15 -3.45 0.00 0.00 179.45 177.23 2roh h THR 79 N 0.33 0.77 -0.32 1.00 2.02 -0.70 -1.69 112.91 114.32 2roh h THR 79 Ca 0.10 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.34 2roh h THR 79 Cb -0.01 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2roh h THR 79 CO -0.04 0.00 0.22 0.17 0.37 0.00 0.00 175.52 176.24 2roh h LEU 80 N -0.27 0.17 -0.25 2.58 8.10 -0.42 -1.81 115.31 123.41 2roh h LEU 80 Ca -0.01 -0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.91 2roh h LEU 80 Cb 0.23 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.41 2roh h LEU 80 CO 0.01 0.11 -0.11 0.58 -4.11 0.00 0.00 178.44 174.92 2roh h VAL 81 N 0.19 1.30 -0.78 0.15 2.07 -0.52 -0.52 116.25 118.14 2roh h VAL 81 Ca 0.14 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 2roh h VAL 81 Cb 0.33 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 2roh h VAL 81 CO -0.02 0.37 0.37 -0.74 0.02 0.00 0.00 177.57 177.56 2roh h HIS 82 N 0.24 1.14 0.00 1.57 -0.00 -0.53 0.33 115.15 117.90 2roh h HIS 82 Ca 0.06 -0.06 -0.13 0.00 -0.00 0.00 0.00 60.37 60.24 2roh h HIS 82 Cb 0.61 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.65 2roh h HIS 82 CO 0.06 0.84 -0.61 1.15 -0.00 0.00 0.00 177.93 179.36 2roh h THR 83 N 1.11 1.42 -0.00 6.26 2.02 -1.33 0.18 112.91 122.57 2roh h THR 83 Ca 0.27 -2.12 0.00 0.00 0.77 0.00 0.00 66.41 65.33 2roh h THR 83 Cb 0.13 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2roh h THR 83 CO -0.03 0.60 -0.22 0.00 0.37 0.00 0.00 175.52 176.24 2roh n ALA 84 N -2.41 2.94 -0.08 6.16 0.00 -0.21 -3.89 120.51 123.01 2roh n ALA 84 Ca -0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.05 2roh n ALA 84 Cb 0.62 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.19 1.89 -4.02 0.00 2.88 0.06 -5.00 113.62 108.24 2roh n SER 85 Ca 0.10 -0.05 -0.28 0.00 -1.33 0.00 0.00 58.87 57.31 2roh n SER 85 Cb 0.32 0.30 0.19 0.00 -0.75 0.00 0.00 64.21 64.26 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 -2.80 0.00 -0.80 2.46 -5.35 0.03 -4.90 119.36 107.99 2roh n ILE 86 Ca -0.29 -0.22 -0.33 0.00 -0.27 0.00 0.00 62.75 61.64 2roh n ILE 86 Cb 0.93 -0.64 0.12 0.00 -1.74 0.00 0.00 39.64 38.31 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 -4.62 -2.91 0.01 -1.28 0.00 -1.26 -4.76 120.51 105.69 2roh n ALA 87 Ca 0.03 -0.65 -0.07 0.00 0.00 0.00 0.00 53.44 52.75 2roh n ALA 87 Cb 0.55 -1.73 0.11 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.55 0.51 -0.01 0.00 0.13 -1.94 -2.48 132.00 126.66 2roh h PRO 88 Ca -0.44 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 2roh h PRO 88 Cb 1.29 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2roh h PRO 88 CO 0.34 0.85 0.03 -0.56 -0.23 0.00 0.00 178.00 178.42 2roh h GLN 89 N 0.42 0.00 0.00 0.86 3.07 -2.01 -0.57 115.11 116.87 2roh h GLN 89 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.77 2roh h GLN 89 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.49 2roh h GLN 89 CO 0.08 0.00 -1.81 1.04 0.09 0.00 0.00 178.83 178.23 2roh n GLN 90 N -3.36 0.58 -1.98 0.06 1.13 -1.09 -4.75 117.38 107.98 2roh n GLN 90 Ca -0.03 -0.16 -0.36 0.00 -1.94 0.00 0.00 57.00 54.51 2roh n GLN 90 Cb 0.10 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 28.92 2roh n GLN 90 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2roh n ARG 91 N -2.12 2.11 -2.42 -1.09 1.74 -0.22 -4.58 116.66 110.09 2roh n ARG 91 Ca -0.03 -2.57 -0.14 0.00 -0.77 0.00 0.00 57.85 54.34 2roh n ARG 91 Cb 0.51 -3.47 0.03 0.00 -1.02 0.00 0.00 32.46 28.52 2roh n ARG 91 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2roh n ARG 92 N 7.84 2.71 0.00 5.56 0.63 -1.26 -4.98 116.66 127.16 2roh n ARG 92 Ca 0.48 -3.89 0.00 0.00 -0.92 0.00 0.00 57.85 53.52 2roh n ARG 92 Cb 0.44 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.40 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 -0.60 -1.19 3.88 5.14 0.00 -1.26 -5.01 105.19 106.15 2roh n GLY 93 Ca 0.27 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.06 3.13 -1.10 4.61 0.00 -1.26 -4.93 121.76 119.15 2roh s ALA 94 Ca 0.00 -0.17 -0.23 0.00 0.00 0.00 0.00 51.96 51.56 2roh s ALA 94 Cb 0.00 -3.00 -0.11 0.00 0.00 0.00 0.00 23.12 20.02 2roh s ALA 94 CO 0.00 -0.67 1.93 -0.35 0.00 0.00 0.00 175.76 176.67 2roh n PRO 95 N -2.69 1.57 -4.40 0.00 -0.04 -1.26 -4.90 135.00 123.27 2roh n PRO 95 Ca 0.05 -2.34 -0.24 0.00 -0.04 0.00 0.00 63.50 60.93 2roh n PRO 95 Cb 0.54 -3.57 -0.11 0.00 -0.04 0.00 0.00 33.50 30.33 2roh n PRO 95 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2roh s VAL 96 N 9.89 2.18 0.40 0.52 -7.23 -1.26 -5.05 120.40 119.84 2roh s VAL 96 Ca 0.66 -2.09 -0.26 0.00 -1.81 0.00 0.00 61.98 58.49 2roh s VAL 96 Cb 0.02 -2.07 -0.09 0.00 0.56 0.00 0.00 36.38 34.81 2roh s VAL 96 CO 0.14 -0.27 1.19 -2.16 -0.31 0.00 0.00 175.10 173.69 2roh s PRO 97 N -2.95 4.06 0.57 4.82 0.04 -1.26 -4.90 135.00 135.38 2roh s PRO 97 Ca 0.21 1.90 0.28 0.00 0.04 0.00 0.00 61.00 63.43 2roh s PRO 97 Cb -0.06 -2.71 1.48 0.00 0.04 0.00 0.00 34.50 33.25 2roh s PRO 97 CO 0.10 -0.33 1.95 -0.56 0.04 0.00 0.00 177.00 178.20 2roh h GLN 98 N 2.69 0.00 -0.94 4.56 3.07 -2.00 -0.17 115.11 122.32 2roh h GLN 98 Ca -0.49 0.00 0.25 0.00 0.09 0.00 0.00 58.65 58.50 2roh h GLN 98 Cb 1.24 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.74 2roh h GLN 98 CO 0.63 0.00 0.65 1.05 0.09 0.00 0.00 178.83 181.24 2roh h GLU 99 N 0.00 0.18 -0.33 0.06 4.11 -1.98 0.21 114.58 116.83 2roh h GLU 99 Ca 0.23 -0.01 -0.11 0.00 0.07 0.00 0.00 59.36 59.54 2roh h GLU 99 Cb 1.10 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2roh h GLU 99 CO -0.00 0.12 -0.24 -0.07 0.07 0.00 0.00 179.01 178.89 2roh h LEU 100 N 0.19 0.78 -0.63 3.06 3.38 -1.39 -1.64 115.31 119.07 2roh h LEU 100 Ca 0.47 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2roh h LEU 100 Cb 1.54 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2roh h LEU 100 CO -0.10 1.06 -0.40 -0.07 0.09 0.00 0.00 178.44 179.01 2roh h LEU 101 N 0.51 0.00 -0.06 1.67 -0.00 -0.90 -2.28 115.31 114.26 2roh h LEU 101 Ca 0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.69 2roh h LEU 101 Cb 0.81 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.48 2roh h LEU 101 CO 0.06 0.40 -0.95 -0.78 -0.00 0.00 0.00 178.44 177.17 2roh h ASP 102 N 0.00 0.92 -0.11 -0.43 1.82 -0.60 -1.77 116.42 116.25 2roh h ASP 102 Ca -0.00 -0.69 -0.11 0.00 -0.39 0.00 0.00 57.03 55.83 2roh h ASP 102 Cb 1.06 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.79 2roh h ASP 102 CO 0.05 1.49 -0.36 0.08 -1.61 0.00 0.00 179.24 178.89 2roh h ARG 103 N 0.45 0.45 -0.67 0.28 0.11 -1.28 -0.56 114.38 113.15 2roh h ARG 103 Ca -0.10 -0.33 -0.08 0.00 0.10 0.00 0.00 59.98 59.57 2roh h ARG 103 Cb 1.60 0.06 -0.03 0.00 1.11 0.00 0.00 29.97 32.71 2roh h ARG 103 CO 0.19 0.95 0.09 -0.39 0.10 0.00 0.00 179.97 180.92 2roh h VAL 104 N 0.03 1.26 0.09 0.08 -1.51 -1.50 -1.57 116.25 113.13 2roh h VAL 104 Ca -0.01 -1.06 -0.00 0.00 -1.23 0.00 0.00 66.70 64.39 2roh h VAL 104 Cb 0.99 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 2roh h VAL 104 CO 0.08 0.40 -0.04 -0.07 -1.23 0.00 0.00 177.57 176.70 2roh h LEU 105 N 1.04 -0.10 -1.04 4.19 3.38 -1.36 -1.82 115.31 119.61 2roh h LEU 105 Ca 0.20 -0.44 0.13 0.00 0.09 0.00 0.00 57.88 57.86 2roh h LEU 105 Cb 0.46 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 2roh h LEU 105 CO 0.02 0.42 0.63 0.00 0.09 0.00 0.00 178.44 179.60 2roh h ALA 106 N 0.16 1.57 -0.23 1.53 0.00 -1.10 -1.66 119.26 119.53 2roh h ALA 106 Ca -0.01 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2roh h ALA 106 Cb 0.53 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2roh h ALA 106 CO 0.02 0.17 -0.17 0.00 0.00 0.00 0.00 179.25 179.27 2roh h ALA 107 N 1.56 0.33 -0.32 0.00 0.00 -1.29 -0.48 119.26 119.06 2roh h ALA 107 Ca 0.50 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2roh h ALA 107 Cb 0.55 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2roh h ALA 107 CO -0.27 0.25 -0.07 0.37 0.00 0.00 0.00 179.25 179.53 2roh h GLN 108 N 0.23 0.01 -0.05 0.00 -0.00 -0.44 -0.30 115.11 114.56 2roh h GLN 108 Ca 0.04 -0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.56 2roh h GLN 108 Cb 0.71 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.17 2roh h GLN 108 CO 0.05 0.01 -0.59 0.00 0.00 0.00 0.00 178.83 178.30 2roh h ALA 109 N 1.31 0.91 -0.76 3.38 0.00 -1.38 -2.49 119.26 120.23 2roh h ALA 109 Ca 0.15 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2roh h ALA 109 Cb 0.23 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2roh h ALA 109 CO -0.32 0.72 0.39 1.88 0.00 0.00 0.00 179.25 181.93 2roh h TYR 110 N 0.13 1.07 0.00 0.00 -1.99 -0.10 -2.12 116.97 113.96 2roh h TYR 110 Ca -0.00 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.69 2roh h TYR 110 Cb 1.07 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 39.47 2roh h TYR 110 CO 0.01 0.77 0.00 -1.49 -0.00 0.00 0.00 178.16 177.45 2roh h TRP 111 N 1.06 0.00 -0.76 4.88 -0.00 -1.04 -3.33 115.95 116.76 2roh h TRP 111 Ca 0.26 0.00 -0.46 0.00 -0.00 0.00 0.00 58.89 58.69 2roh h TRP 111 Cb 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 29.16 29.10 2roh h TRP 111 CO 0.01 0.00 0.64 0.45 -0.00 0.00 0.00 178.44 179.53 2roh n SER 112 N -2.93 6.49 0.16 -3.49 2.88 -0.80 -4.58 113.62 111.35 2roh n SER 112 Ca 0.04 -2.99 -0.10 0.00 -1.33 0.00 0.00 58.87 54.49 2roh n SER 112 Cb 0.50 -1.31 -0.06 0.00 -0.75 0.00 0.00 64.21 62.59 2roh n SER 112 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2roh h VAL 113 N 2.13 0.32 -3.39 2.46 2.07 -1.70 -3.45 116.25 114.69 2roh h VAL 113 Ca 0.41 -0.73 -0.54 0.00 0.82 0.00 0.00 66.70 66.65 2roh h VAL 113 Cb 0.84 0.52 -0.34 0.00 -1.52 0.00 0.00 31.29 30.80 2roh h VAL 113 CO 0.84 0.08 -0.82 -0.62 0.02 0.00 0.00 177.57 177.06 2roh s ASP 114 N -5.07 2.02 -0.01 0.57 2.15 -1.26 -5.01 116.67 110.06 2roh s ASP 114 Ca -0.10 -0.35 0.14 0.00 0.43 0.00 0.00 52.55 52.67 2roh s ASP 114 Cb 0.01 -0.93 -0.20 0.00 -0.30 0.00 0.00 42.92 41.50 2roh s ASP 114 CO 0.36 0.04 0.70 -1.20 -0.17 0.00 0.00 175.17 174.90 2roh n SER 115 N 3.84 0.84 -4.74 -0.34 7.64 -1.26 -4.91 113.62 114.70 2roh n SER 115 Ca -0.22 0.39 -0.42 0.00 1.01 0.00 0.00 58.87 59.64 2roh n SER 115 Cb 0.52 0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 2roh n SER 115 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2roh s SER 116 N -5.96 6.36 0.40 6.43 1.04 -1.26 -5.00 113.70 115.71 2roh s SER 116 Ca -0.04 2.94 0.05 0.00 0.48 0.00 0.00 55.95 59.38 2roh s SER 116 Cb 0.08 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 2roh s SER 116 CO 0.82 -0.95 0.19 -0.83 0.98 0.00 0.00 173.24 173.46 2roh s GLY 117 N 0.75 2.60 0.85 7.32 0.00 -1.26 -5.17 107.32 112.42 2roh s GLY 117 Ca 0.68 -1.45 -0.10 0.00 0.00 0.00 0.00 44.72 43.84 2roh s GLY 117 CO 0.42 -1.71 1.19 0.50 0.00 0.00 0.00 173.10 173.50 2roh s ARG 118 N -3.58 1.20 0.32 2.90 0.52 -1.26 -5.00 118.95 114.06 2roh s ARG 118 Ca 0.28 -0.55 -0.28 0.00 -0.52 0.00 0.00 55.73 54.66 2roh s ARG 118 Cb 0.02 -2.02 -0.13 0.00 0.52 0.00 0.00 34.95 33.34 2roh s ARG 118 CO 0.19 -1.95 1.27 0.44 0.02 0.00 0.00 175.30 175.27 2roh n ILE 119 N -3.38 1.89 -2.57 1.52 -5.35 -1.26 -4.94 119.36 105.27 2roh n ILE 119 Ca 0.14 -0.47 -0.21 0.00 -0.27 0.00 0.00 62.75 61.93 2roh n ILE 119 Cb 0.60 -1.50 0.01 0.00 -1.74 0.00 0.00 39.64 37.01 2roh n ILE 119 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2roh n VAL 120 N 0.49 1.92 -1.59 7.28 0.31 -1.26 -4.77 118.33 120.71 2roh n VAL 120 Ca 0.06 -4.37 0.06 0.00 -0.01 0.00 0.00 64.34 60.08 2roh n VAL 120 Cb 0.35 -0.65 0.16 0.00 -0.91 0.00 0.00 33.84 32.79 2roh n VAL 120 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2roh n THR 121 N -0.32 1.80 1.54 2.52 5.66 -1.26 -5.32 114.28 118.90 2roh n THR 121 Ca 0.29 -2.63 0.14 0.00 -3.05 0.00 0.00 64.05 58.80 2roh n THR 121 Cb 0.70 -0.07 0.56 0.00 -1.55 0.00 0.00 70.33 69.96 2roh n THR 121 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91