#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 -1.28 -3.65 1.61 3.41 -1.26 -5.15 113.62 107.31 2roh n SER 2 Ca 0.00 -2.96 -0.30 0.00 -0.26 0.00 0.00 58.87 55.35 2roh n SER 2 Cb 0.00 0.51 0.25 0.00 -0.26 0.00 0.00 64.21 64.71 2roh n SER 2 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2roh s PRO 3 N -0.28 -1.52 -0.03 4.33 0.04 -1.26 -5.09 135.00 131.20 2roh s PRO 3 Ca 0.34 -0.18 -0.02 0.00 0.04 0.00 0.00 61.00 61.17 2roh s PRO 3 Cb 0.19 -1.57 0.01 0.00 0.04 0.00 0.00 34.50 33.17 2roh s PRO 3 CO -0.17 -3.89 0.07 -0.59 0.04 0.00 0.00 177.00 172.46 2roh s PHE 4 N -3.02 -0.08 0.30 0.56 -0.71 -1.26 -5.17 117.98 108.61 2roh s PHE 4 Ca 0.72 0.19 0.03 0.00 -1.04 0.00 0.00 56.93 56.83 2roh s PHE 4 Cb -0.08 0.02 -0.06 0.00 -1.21 0.00 0.00 43.02 41.69 2roh s PHE 4 CO 0.56 -0.04 0.07 0.00 -1.34 0.00 0.00 175.22 174.47 2roh s ALA 5 N 0.07 2.14 0.27 1.99 0.00 -1.26 -5.17 121.76 119.80 2roh s ALA 5 Ca -0.00 -1.99 0.09 0.00 0.00 0.00 0.00 51.96 50.06 2roh s ALA 5 Cb -0.01 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 2roh s ALA 5 CO -0.00 -0.36 0.03 0.16 0.00 0.00 0.00 175.76 175.59 2roh s ASP 6 N -3.43 4.68 -1.01 0.00 1.47 -1.26 -5.04 116.67 112.08 2roh s ASP 6 Ca 0.37 -0.59 -0.24 0.00 1.18 0.00 0.00 52.55 53.27 2roh s ASP 6 Cb 0.08 -0.92 -0.06 0.00 -0.34 0.00 0.00 42.92 41.68 2roh s ASP 6 CO 0.15 -0.01 1.94 -2.16 0.68 0.00 0.00 175.17 175.77 2roh s PRO 7 N -3.70 2.53 -0.15 2.11 0.04 -1.26 -4.94 135.00 129.63 2roh s PRO 7 Ca 0.32 -0.63 -0.06 0.00 0.04 0.00 0.00 61.00 60.67 2roh s PRO 7 Cb -0.07 -5.13 -0.04 0.00 0.04 0.00 0.00 34.50 29.31 2roh s PRO 7 CO 0.21 -3.61 0.03 1.21 0.04 0.00 0.00 177.00 174.88 2roh s ASN 8 N 7.44 5.42 -0.24 6.66 3.84 -1.26 -5.09 114.94 131.71 2roh s ASN 8 Ca 0.69 0.07 -0.09 0.00 0.21 0.00 0.00 52.86 53.74 2roh s ASN 8 Cb -0.04 -1.84 -0.04 0.00 -0.55 0.00 0.00 41.25 38.77 2roh s ASN 8 CO 0.05 0.23 0.13 -0.44 -2.79 0.00 0.00 177.10 174.27 2roh s SER 9 N 0.04 5.80 -0.46 -4.21 0.01 -1.26 -4.99 113.70 108.63 2roh s SER 9 Ca 0.04 0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.35 2roh s SER 9 Cb -0.12 -2.05 0.43 0.00 0.21 0.00 0.00 66.02 64.48 2roh s SER 9 CO 0.01 0.03 1.30 0.18 0.41 0.00 0.00 173.24 175.18 2roh n LEU 10 N 4.50 5.30 -3.45 2.44 4.77 -1.26 -4.95 117.00 124.35 2roh n LEU 10 Ca -0.15 -4.97 0.01 0.00 -0.03 0.00 0.00 56.01 50.86 2roh n LEU 10 Cb 0.52 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 2roh n LEU 10 CO 0.34 2.09 0.61 0.00 -1.33 0.00 0.00 177.39 179.10 2roh s ALA 11 N -3.64 -2.62 -0.19 -1.18 0.00 -1.26 -5.17 121.76 107.70 2roh s ALA 11 Ca 0.50 2.08 -0.14 0.00 0.00 0.00 0.00 51.96 54.41 2roh s ALA 11 Cb 0.41 -1.99 0.05 0.00 0.00 0.00 0.00 23.12 21.60 2roh s ALA 11 CO -0.14 -0.86 0.48 -1.17 0.00 0.00 0.00 175.76 174.08 2roh s LEU 12 N 2.28 -0.05 -0.27 0.00 2.96 -1.26 -5.16 118.68 117.18 2roh s LEU 12 Ca -0.04 1.00 -0.25 0.00 -0.22 0.00 0.00 54.13 54.63 2roh s LEU 12 Cb -0.06 1.62 0.07 0.00 0.50 0.00 0.00 46.19 48.32 2roh s LEU 12 CO -0.17 -0.18 0.72 0.00 -1.32 0.00 0.00 176.35 175.40 2roh s ALA 13 N 0.82 -1.79 -0.07 5.97 0.00 -1.26 -5.16 121.76 120.27 2roh s ALA 13 Ca -0.05 2.04 0.02 0.00 0.00 0.00 0.00 51.96 53.98 2roh s ALA 13 Cb -0.05 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.89 2roh s ALA 13 CO -0.06 -0.34 -0.12 -0.80 0.00 0.00 0.00 175.76 174.44 2roh s ASN 14 N 0.42 1.80 0.18 0.00 -0.87 -1.26 -5.14 114.94 110.08 2roh s ASN 14 Ca -0.00 -0.30 0.09 0.00 -1.57 0.00 0.00 52.86 51.07 2roh s ASN 14 Cb -0.05 -0.83 -0.04 0.00 -0.02 0.00 0.00 41.25 40.31 2roh s ASN 14 CO 0.00 0.03 -0.07 0.68 -2.57 0.00 0.00 177.10 175.17 2roh s VAL 15 N 0.72 3.31 0.42 1.60 -7.23 -1.26 -5.11 120.40 112.85 2roh s VAL 15 Ca -0.14 -1.63 -0.25 0.00 -1.81 0.00 0.00 61.98 58.16 2roh s VAL 15 Cb -0.16 -2.66 -0.08 0.00 0.56 0.00 0.00 36.38 34.05 2roh s VAL 15 CO 0.03 -0.13 1.18 -2.16 -0.31 0.00 0.00 175.10 173.72 2roh s PRO 16 N -2.90 3.95 0.01 4.82 0.04 -1.26 -5.06 135.00 134.60 2roh s PRO 16 Ca 0.26 1.85 -0.00 0.00 0.04 0.00 0.00 61.00 63.14 2roh s PRO 16 Cb -0.09 -2.59 -0.02 0.00 0.04 0.00 0.00 34.50 31.84 2roh s PRO 16 CO 0.16 -0.41 -0.02 -0.48 0.04 0.00 0.00 177.00 176.29 2roh s LEU 17 N -2.66 2.16 -0.06 -3.56 0.05 -1.26 -5.16 118.68 108.19 2roh s LEU 17 Ca 0.59 -0.38 -0.06 0.00 0.05 0.00 0.00 54.13 54.33 2roh s LEU 17 Cb -0.31 0.10 0.02 0.00 -2.05 0.00 0.00 46.19 43.95 2roh s LEU 17 CO 0.38 -0.24 0.16 -0.44 -0.55 0.00 0.00 176.35 175.66 2roh s SER 18 N -1.16 -0.16 0.11 1.48 0.01 -1.26 -5.16 113.70 107.56 2roh s SER 18 Ca -0.13 0.30 -0.26 0.00 1.31 0.00 0.00 55.95 57.18 2roh s SER 18 Cb -0.08 0.33 0.07 0.00 0.21 0.00 0.00 66.02 66.55 2roh s SER 18 CO -0.01 -0.07 0.85 0.00 0.41 0.00 0.00 173.24 174.42 2roh s ARG 19 N 0.01 1.14 0.45 12.44 1.04 -1.26 -5.18 118.95 127.60 2roh s ARG 19 Ca -0.01 -0.53 0.05 0.00 -1.04 0.00 0.00 55.73 54.20 2roh s ARG 19 Cb -0.01 0.45 0.01 0.00 -2.04 0.00 0.00 34.95 33.36 2roh s ARG 19 CO 0.00 -0.51 0.63 -1.12 -0.04 0.00 0.00 175.30 174.26 2roh s SER 20 N -2.74 5.58 -0.17 -2.89 0.01 -1.26 -5.13 113.70 107.10 2roh s SER 20 Ca 0.08 -0.23 -0.10 0.00 1.31 0.00 0.00 55.95 57.01 2roh s SER 20 Cb -0.02 -0.83 0.06 0.00 0.21 0.00 0.00 66.02 65.44 2roh s SER 20 CO -0.04 -0.85 0.42 -1.59 0.41 0.00 0.00 173.24 171.60 2roh s LYS 21 N -4.48 0.41 -0.46 12.44 -2.85 -1.26 -5.09 119.74 118.46 2roh s LYS 21 Ca 0.54 0.79 0.08 0.00 -1.00 0.00 0.00 55.97 56.38 2roh s LYS 21 Cb -0.10 0.00 0.26 0.00 -2.06 0.00 0.00 37.83 35.93 2roh s LYS 21 CO 0.35 -0.15 0.61 0.54 0.10 0.00 0.00 175.35 176.80 2roh n ARG 22 N 4.15 1.31 -2.14 1.78 5.12 -1.26 -5.09 116.66 120.52 2roh n ARG 22 Ca -0.22 -3.68 -0.43 0.00 -1.93 0.00 0.00 57.85 51.59 2roh n ARG 22 Cb 0.55 -1.56 -0.03 0.00 -1.16 0.00 0.00 32.46 30.27 2roh n ARG 22 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2roh s PRO 23 N -1.69 4.08 0.74 5.56 0.04 -1.26 -5.01 135.00 137.45 2roh s PRO 23 Ca 0.37 1.90 -0.00 0.00 0.04 0.00 0.00 61.00 63.31 2roh s PRO 23 Cb 0.18 -3.95 0.14 0.00 0.04 0.00 0.00 34.50 30.91 2roh s PRO 23 CO -0.08 -0.95 1.01 0.16 0.04 0.00 0.00 177.00 177.18 2roh s ASP 24 N 3.27 4.25 0.03 6.66 -4.77 -1.26 -5.13 116.67 119.73 2roh s ASP 24 Ca 0.68 -0.48 -0.29 0.00 -3.30 0.00 0.00 52.55 49.17 2roh s ASP 24 Cb -0.28 0.17 0.10 0.00 -1.09 0.00 0.00 42.92 41.82 2roh s ASP 24 CO 0.26 -1.94 1.17 0.12 0.70 0.00 0.00 175.17 175.48 2roh s PHE 25 N -3.16 -0.08 -0.79 2.11 5.36 -1.26 -5.08 117.98 115.08 2roh s PHE 25 Ca 0.67 -0.09 0.02 0.00 -0.96 0.00 0.00 56.93 56.58 2roh s PHE 25 Cb -0.04 0.58 0.29 0.00 -0.34 0.00 0.00 43.02 43.50 2roh s PHE 25 CO 0.45 -0.46 1.08 0.41 -1.46 0.00 0.00 175.22 175.24 2roh n GLY 26 N -0.47 5.15 3.49 13.12 0.00 -1.26 -5.03 105.19 120.19 2roh n GLY 26 Ca -0.07 -2.73 -0.24 0.00 0.00 0.00 0.00 46.02 42.97 2roh n GLY 26 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2roh s GLN 27 N -2.87 1.69 -0.37 1.61 -0.21 -1.26 -5.04 119.66 113.22 2roh s GLN 27 Ca 0.38 -1.86 0.05 0.00 0.02 0.00 0.00 55.36 53.96 2roh s GLN 27 Cb 0.14 -1.49 0.62 0.00 1.00 0.00 0.00 33.01 33.28 2roh s GLN 27 CO -0.00 0.12 1.78 2.89 -2.12 0.00 0.00 175.29 177.96 2roh n ARG 28 N -0.69 2.50 -1.19 2.91 1.85 -1.26 -4.98 116.66 115.80 2roh n ARG 28 Ca -0.05 -2.69 -0.29 0.00 -1.00 0.00 0.00 57.85 53.82 2roh n ARG 28 Cb 0.63 -2.07 0.17 0.00 -1.05 0.00 0.00 32.46 30.14 2roh n ARG 28 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2roh s ARG 29 N -2.87 0.62 0.25 2.89 3.52 -1.26 -4.93 118.95 117.17 2roh s ARG 29 Ca 0.50 0.57 -0.31 0.00 -0.13 0.00 0.00 55.73 56.36 2roh s ARG 29 Cb 0.42 -1.75 -0.13 0.00 -1.56 0.00 0.00 34.95 31.92 2roh s ARG 29 CO 0.10 -2.62 1.39 -0.89 -0.81 0.00 0.00 175.30 172.48 2roh n ILE 30 N -4.10 1.04 -3.41 4.11 2.08 -1.26 -4.96 119.36 112.86 2roh n ILE 30 Ca 0.06 -0.26 -0.38 0.00 0.56 0.00 0.00 62.75 62.72 2roh n ILE 30 Cb 0.57 -1.47 -0.06 0.00 -0.75 0.00 0.00 39.64 37.93 2roh n ILE 30 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2roh s ARG 31 N -0.53 4.05 0.53 0.38 1.70 -1.26 -5.08 118.95 118.74 2roh s ARG 31 Ca 0.67 0.54 -0.07 0.00 -0.47 0.00 0.00 55.73 56.40 2roh s ARG 31 Cb -0.65 -3.24 -0.03 0.00 -0.57 0.00 0.00 34.95 30.46 2roh s ARG 31 CO 0.51 0.64 0.87 1.03 -1.08 0.00 0.00 175.30 177.26 2roh s ARG 32 N -0.99 3.48 0.41 3.89 0.52 -1.26 -5.09 118.95 119.91 2roh s ARG 32 Ca 0.26 0.32 -0.07 0.00 -0.52 0.00 0.00 55.73 55.72 2roh s ARG 32 Cb -0.18 -2.28 0.10 0.00 0.52 0.00 0.00 34.95 33.11 2roh s ARG 32 CO 0.15 -0.37 0.36 -0.35 0.02 0.00 0.00 175.30 175.12 2roh n PRO 33 N -2.43 -1.73 -4.30 3.54 -0.04 -1.26 -5.08 135.00 123.70 2roh n PRO 33 Ca 0.02 -0.58 -0.24 0.00 -0.04 0.00 0.00 63.50 62.67 2roh n PRO 33 Cb 0.55 -0.54 -0.08 0.00 -0.04 0.00 0.00 33.50 33.39 2roh n PRO 33 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2roh s PHE 34 N -1.65 2.60 0.09 0.54 0.08 -1.26 -5.14 117.98 113.24 2roh s PHE 34 Ca 0.23 -0.35 0.03 0.00 0.12 0.00 0.00 56.93 56.96 2roh s PHE 34 Cb -0.02 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 41.02 2roh s PHE 34 CO 0.18 0.52 0.12 0.99 -0.10 0.00 0.00 175.22 176.93 2roh s THR 35 N -2.44 4.71 0.33 0.64 2.01 -1.26 -4.97 115.64 114.66 2roh s THR 35 Ca 0.34 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.64 2roh s THR 35 Cb -0.03 -3.30 0.30 0.00 0.01 0.00 0.00 72.50 69.48 2roh s THR 35 CO 0.20 0.08 1.87 1.62 -0.69 0.00 0.00 174.62 177.70 2roh h VAL 36 N 2.36 0.90 -0.02 3.82 3.04 -1.98 0.22 116.25 124.58 2roh h VAL 36 Ca -0.47 -0.29 -0.02 0.00 -1.01 0.00 0.00 66.70 64.91 2roh h VAL 36 Cb 1.17 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 2roh h VAL 36 CO 0.67 0.15 -0.08 0.00 -1.01 0.00 0.00 177.57 177.31 2roh h ALA 37 N 1.57 0.04 -0.10 3.17 0.00 -1.98 -1.30 119.26 120.65 2roh h ALA 37 Ca 0.45 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2roh h ALA 37 Cb 0.56 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2roh h ALA 37 CO -0.21 -0.09 0.03 0.93 0.00 0.00 0.00 179.25 179.91 2roh h GLU 38 N -0.49 0.08 -0.58 0.00 3.07 -1.83 -1.14 114.58 113.69 2roh h GLU 38 Ca -0.00 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 2roh h GLU 38 Cb 0.71 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.57 2roh h GLU 38 CO 0.02 0.05 0.21 0.28 -1.40 0.00 0.00 179.01 178.17 2roh h VAL 39 N 0.08 1.23 0.05 3.13 2.07 -0.68 -1.56 116.25 120.58 2roh h VAL 39 Ca 0.04 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.83 2roh h VAL 39 Cb 0.03 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2roh h VAL 39 CO -0.05 0.29 -0.14 -0.33 0.02 0.00 0.00 177.57 177.36 2roh h GLU 40 N 0.81 -0.25 -0.23 1.57 5.08 -0.95 0.21 114.58 120.82 2roh h GLU 40 Ca 0.19 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2roh h GLU 40 Cb 0.24 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2roh h GLU 40 CO -0.01 -0.17 0.14 -0.07 -1.00 0.00 0.00 179.01 177.90 2roh h LEU 41 N -0.26 0.24 0.63 1.33 3.38 -1.12 -0.52 115.31 118.98 2roh h LEU 41 Ca 0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2roh h LEU 41 Cb 0.29 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2roh h LEU 41 CO -0.10 0.17 -0.37 0.25 0.09 0.00 0.00 178.44 178.49 2roh h LEU 42 N 0.29 -0.92 -0.97 1.67 7.12 -1.03 0.28 115.31 121.76 2roh h LEU 42 Ca 0.09 0.05 0.15 0.00 0.13 0.00 0.00 57.88 58.30 2roh h LEU 42 Cb -0.02 0.26 -0.10 0.00 -0.53 0.00 0.00 40.66 40.28 2roh h LEU 42 CO -0.03 -0.58 0.59 0.58 -0.13 0.00 0.00 178.44 178.86 2roh h VAL 43 N -0.93 0.80 0.00 1.05 2.07 -0.51 0.21 116.25 118.93 2roh h VAL 43 Ca -0.08 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.05 2roh h VAL 43 Cb 0.75 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2roh h VAL 43 CO 0.09 0.15 -0.52 -0.08 0.02 0.00 0.00 177.57 177.23 2roh h GLU 44 N 0.83 0.00 -0.00 1.57 4.81 -0.75 -0.35 114.58 120.68 2roh h GLU 44 Ca 0.52 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.75 2roh h GLU 44 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2roh h GLU 44 CO -0.33 0.52 -0.01 0.00 -0.73 0.00 0.00 179.01 178.46 2roh h ALA 45 N 1.48 0.00 -0.03 2.92 0.00 0.24 -1.59 119.26 122.29 2roh h ALA 45 Ca -0.01 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 2roh h ALA 45 Cb 1.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2roh h ALA 45 CO 0.07 -0.13 -0.56 -0.24 0.00 0.00 0.00 179.25 178.39 2roh h VAL 46 N -0.72 1.39 -0.09 0.00 3.04 -0.82 -3.20 116.25 115.85 2roh h VAL 46 Ca -0.00 -1.90 -0.09 0.00 -1.01 0.00 0.00 66.70 63.70 2roh h VAL 46 Cb 0.74 1.99 0.00 0.00 -2.01 0.00 0.00 31.29 32.02 2roh h VAL 46 CO 0.00 0.55 -0.28 -0.08 -1.01 0.00 0.00 177.57 176.75 2roh h GLU 47 N 0.07 0.34 -0.93 4.17 4.81 -1.13 0.38 114.58 122.29 2roh h GLU 47 Ca -0.00 -0.25 0.27 0.00 -0.13 0.00 0.00 59.36 59.24 2roh h GLU 47 Cb 1.01 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 2roh h GLU 47 CO 0.08 0.88 0.69 1.25 -0.73 0.00 0.00 179.01 181.18 2roh h HIS 48 N -0.13 0.00 0.00 0.92 2.76 -1.28 0.22 115.15 117.64 2roh h HIS 48 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2roh h HIS 48 Cb 0.91 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.87 2roh h HIS 48 CO 0.12 0.00 -1.06 1.28 -1.30 0.00 0.00 177.93 176.97 2roh n LEU 49 N -4.18 0.40 0.00 0.26 4.77 -1.18 -5.05 117.00 112.01 2roh n LEU 49 Ca 0.19 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2roh n LEU 49 Cb 1.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 2roh n LEU 49 CO 0.38 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2roh n GLY 50 N 1.47 1.45 2.77 -0.72 0.00 0.13 -3.69 105.19 106.60 2roh n GLY 50 Ca 0.01 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 2.85 0.00 2.61 5.66 -1.26 -4.66 114.28 119.48 2roh n THR 51 Ca 0.00 -5.25 0.00 0.00 -3.05 0.00 0.00 64.05 55.75 2roh n THR 51 Cb 0.00 -2.18 0.00 0.00 -1.55 0.00 0.00 70.33 66.60 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 1.47 3.15 3.82 1.09 0.00 -1.24 -5.13 105.19 108.35 2roh n GLY 52 Ca 0.26 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2roh n GLY 52 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2roh s ARG 53 N 3.94 4.22 0.02 1.61 3.52 -1.26 -5.00 118.95 126.00 2roh s ARG 53 Ca 0.00 0.79 -0.21 0.00 -0.13 0.00 0.00 55.73 56.18 2roh s ARG 53 Cb 0.00 -3.03 -0.17 0.00 -1.56 0.00 0.00 34.95 30.20 2roh s ARG 53 CO 0.00 0.50 1.27 -1.49 -0.81 0.00 0.00 175.30 174.77 2roh h TRP 54 N 3.84 0.41 -0.32 5.12 6.55 -2.00 -3.05 115.95 126.50 2roh h TRP 54 Ca -0.48 -0.15 0.09 0.00 0.95 0.00 0.00 58.89 59.30 2roh h TRP 54 Cb 1.20 -0.08 -0.01 0.00 -0.86 0.00 0.00 29.16 29.41 2roh h TRP 54 CO 0.65 0.81 0.31 -0.09 -1.05 0.00 0.00 178.44 179.07 2roh h ARG 55 N -0.11 0.00 -0.12 0.49 9.65 -1.94 0.14 114.38 122.49 2roh h ARG 55 Ca 0.01 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.75 2roh h ARG 55 Cb 0.78 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.35 2roh h ARG 55 CO 0.05 0.00 -0.53 0.22 2.80 0.00 0.00 179.97 182.51 2roh h ASP 56 N 0.00 0.39 0.29 -3.80 1.82 -1.95 -1.75 116.42 111.42 2roh h ASP 56 Ca 0.15 -0.20 -0.19 0.00 -0.39 0.00 0.00 57.03 56.40 2roh h ASP 56 Cb 0.77 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.67 2roh h ASP 56 CO -0.00 0.84 -0.76 -0.37 -1.61 0.00 0.00 179.24 177.34 2roh h VAL 57 N 0.27 1.39 0.00 2.25 -1.51 -0.76 0.65 116.25 118.54 2roh h VAL 57 Ca 0.01 -2.20 -0.15 0.00 -1.23 0.00 0.00 66.70 63.13 2roh h VAL 57 Cb 1.02 2.17 -0.02 0.00 -2.13 0.00 0.00 31.29 32.33 2roh h VAL 57 CO 0.09 0.66 -0.69 0.07 -1.23 0.00 0.00 177.57 176.47 2roh h LYS 58 N 0.26 0.00 0.11 5.19 2.10 -1.37 -2.81 116.57 120.04 2roh h LYS 58 Ca -0.04 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.38 2roh h LYS 58 Cb 1.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 2roh h LYS 58 CO 0.13 0.69 -1.18 0.35 -2.00 0.00 0.00 179.45 177.44 2roh h PHE 59 N 0.00 0.41 0.00 0.07 3.57 -1.28 -2.72 116.94 116.99 2roh h PHE 59 Ca -0.01 -0.30 -0.01 0.00 3.53 0.00 0.00 57.97 61.18 2roh h PHE 59 Cb 1.30 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 2roh h PHE 59 CO 0.00 1.46 -0.04 -0.09 -2.23 0.00 0.00 178.31 177.41 2roh h ARG 60 N -0.41 0.00 0.00 1.11 9.65 -0.95 -3.33 114.38 120.46 2roh h ARG 60 Ca -0.25 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 2roh h ARG 60 Cb 1.66 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.24 2roh h ARG 60 CO 0.06 0.04 0.00 0.00 2.80 0.00 0.00 179.97 182.87 2roh n ALA 61 N -2.28 0.00 -3.15 2.80 0.00 -1.06 -4.97 120.51 111.85 2roh n ALA 61 Ca -0.03 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.44 2roh n ALA 61 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.26 -0.69 -1.61 0.00 0.08 -1.03 -5.01 117.98 109.46 2roh s PHE 62 Ca 0.00 0.73 0.25 0.00 0.12 0.00 0.00 56.93 58.03 2roh s PHE 62 Cb 0.00 0.24 1.32 0.00 -0.57 0.00 0.00 43.02 44.01 2roh s PHE 62 CO 0.00 -0.38 1.83 -0.85 -0.10 0.00 0.00 175.22 175.72 2roh n GLU 63 N 5.47 0.49 -0.00 0.44 -0.00 -1.18 -2.74 120.64 123.11 2roh n GLU 63 Ca -0.06 0.04 0.04 0.00 -0.00 0.00 0.00 57.16 57.18 2roh n GLU 63 Cb 0.53 -1.50 -0.06 0.00 -0.00 0.00 0.00 31.44 30.42 2roh n GLU 63 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2roh n ASN 64 N -1.19 2.14 -4.49 -1.84 5.15 -1.26 -4.58 115.26 109.19 2roh n ASN 64 Ca 0.14 -0.24 -0.41 0.00 -0.60 0.00 0.00 54.58 53.46 2roh n ASN 64 Cb 0.16 1.25 -0.10 0.00 -0.53 0.00 0.00 39.78 40.55 2roh n ASN 64 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2roh s VAL 65 N -2.29 5.17 -1.57 3.44 1.01 -1.11 -4.47 120.40 120.58 2roh s VAL 65 Ca -0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 2roh s VAL 65 Cb 0.06 -3.75 0.10 0.00 0.00 0.00 0.00 36.38 32.78 2roh s VAL 65 CO 0.34 -0.13 0.83 1.41 0.00 0.00 0.00 175.10 177.55 2roh n HIS 66 N 5.11 -1.99 -1.75 5.22 8.25 -1.26 -4.75 115.22 124.05 2roh n HIS 66 Ca -0.12 0.84 -0.40 0.00 -0.26 0.00 0.00 57.72 57.78 2roh n HIS 66 Cb 0.48 -3.59 -0.03 0.00 1.12 0.00 0.00 29.99 27.97 2roh n HIS 66 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2roh n HIS 67 N -4.51 2.99 0.00 4.41 -0.00 -1.26 -4.70 115.22 112.15 2roh n HIS 67 Ca -0.01 -2.23 0.00 0.00 -0.00 0.00 0.00 57.72 55.48 2roh n HIS 67 Cb 0.54 -2.29 0.00 0.00 -0.00 0.00 0.00 29.99 28.24 2roh n HIS 67 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 2roh n ARG 68 N 7.28 0.00 -3.57 1.57 3.00 -1.26 -5.04 116.66 118.63 2roh n ARG 68 Ca 0.49 0.21 -0.16 0.00 -0.00 0.00 0.00 57.85 58.40 2roh n ARG 68 Cb 0.42 -0.70 -0.06 0.00 0.00 0.00 0.00 32.46 32.12 2roh n ARG 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2roh s THR 69 N -0.45 0.00 0.25 5.15 2.01 -1.26 -5.02 115.64 116.32 2roh s THR 69 Ca 0.00 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.95 2roh s THR 69 Cb 0.00 -1.00 0.24 0.00 0.01 0.00 0.00 72.50 71.75 2roh s THR 69 CO 0.00 0.00 1.68 0.10 -0.69 0.00 0.00 174.62 175.71 2roh h TYR 70 N 3.84 0.28 -0.80 4.92 -0.00 -1.96 0.16 116.97 123.41 2roh h TYR 70 Ca -0.27 0.04 -0.01 0.00 -0.00 0.00 0.00 58.73 58.48 2roh h TYR 70 Cb 1.15 -0.01 -0.04 0.00 -0.00 0.00 0.00 36.73 37.84 2roh h TYR 70 CO 0.38 -0.09 0.44 -0.24 -0.00 0.00 0.00 178.16 178.65 2roh h VAL 71 N 0.27 1.23 -0.68 -0.90 3.04 -1.96 -2.49 116.25 114.76 2roh h VAL 71 Ca 0.42 -0.57 0.02 0.00 -1.01 0.00 0.00 66.70 65.56 2roh h VAL 71 Cb 0.73 0.15 -0.04 0.00 -2.01 0.00 0.00 31.29 30.12 2roh h VAL 71 CO -0.52 0.26 0.44 0.44 -1.01 0.00 0.00 177.57 177.17 2roh h ASP 72 N 1.11 0.74 0.86 3.17 3.32 -1.10 0.28 116.42 124.80 2roh h ASP 72 Ca 0.28 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 2roh h ASP 72 Cb 0.02 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.40 2roh h ASP 72 CO -0.05 0.53 -0.41 -0.07 -1.72 0.00 0.00 179.24 177.51 2roh h LEU 73 N 0.88 -0.98 -1.29 1.55 4.07 -0.97 0.27 115.31 118.84 2roh h LEU 73 Ca 0.26 0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.29 2roh h LEU 73 Cb -0.05 0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.90 2roh h LEU 73 CO -0.08 -0.66 0.51 0.50 -1.08 0.00 0.00 178.44 177.62 2roh h LYS 74 N -1.23 0.88 -0.39 1.13 3.64 -1.39 -1.69 116.57 117.52 2roh h LYS 74 Ca -0.12 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.08 2roh h LYS 74 Cb 0.89 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2roh h LYS 74 CO 0.19 0.58 -0.26 -0.44 -2.27 0.00 0.00 179.45 177.26 2roh h ASP 75 N 0.91 0.85 -0.32 4.20 3.32 -0.29 -2.17 116.42 122.92 2roh h ASP 75 Ca 0.31 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2roh h ASP 75 Cb 0.10 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2roh h ASP 75 CO -0.10 1.06 0.20 0.50 -1.72 0.00 0.00 179.24 179.19 2roh h LYS 76 N 0.70 0.42 -0.27 3.56 1.63 0.44 0.21 116.57 123.27 2roh h LYS 76 Ca 0.09 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 2roh h LYS 76 Cb 0.80 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.33 2roh h LYS 76 CO 0.07 0.30 0.07 2.35 -3.45 0.00 0.00 179.45 178.78 2roh h TRP 77 N 0.42 0.46 -0.21 1.91 7.01 -1.39 -0.27 115.95 123.89 2roh h TRP 77 Ca 0.11 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 2roh h TRP 77 Cb -0.03 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 26.89 2roh h TRP 77 CO -0.05 0.51 0.11 -0.22 -2.79 0.00 0.00 178.44 176.00 2roh h LYS 78 N 0.27 0.29 0.21 2.65 1.63 -1.20 0.35 116.57 120.77 2roh h LYS 78 Ca 0.09 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 2roh h LYS 78 Cb 0.28 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2roh h LYS 78 CO 0.00 0.29 -0.10 1.15 -3.45 0.00 0.00 179.45 177.34 2roh h THR 79 N 0.23 0.82 -0.39 1.00 2.02 -0.52 -1.05 112.91 115.01 2roh h THR 79 Ca 0.07 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.15 2roh h THR 79 Cb 0.08 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2roh h THR 79 CO -0.01 0.03 0.26 0.17 0.37 0.00 0.00 175.52 176.33 2roh h LEU 80 N -0.34 0.42 -0.22 2.58 8.10 -0.98 -2.04 115.31 122.83 2roh h LEU 80 Ca -0.03 -0.01 -0.05 0.00 0.11 0.00 0.00 57.88 57.90 2roh h LEU 80 Cb 0.26 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 40.37 2roh h LEU 80 CO 0.05 0.30 -0.06 0.58 -4.11 0.00 0.00 178.44 175.20 2roh h VAL 81 N 0.50 1.29 -0.85 0.15 2.07 -0.55 -1.16 116.25 117.70 2roh h VAL 81 Ca 0.14 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 2roh h VAL 81 Cb -0.02 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2roh h VAL 81 CO -0.03 0.32 0.52 -0.74 0.02 0.00 0.00 177.57 177.67 2roh h HIS 82 N 0.15 1.10 -0.01 1.57 -0.00 -0.70 0.22 115.15 117.48 2roh h HIS 82 Ca 0.05 0.01 -0.14 0.00 -0.00 0.00 0.00 60.37 60.29 2roh h HIS 82 Cb 0.52 -0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 27.55 2roh h HIS 82 CO 0.05 0.72 -0.65 1.15 -0.00 0.00 0.00 177.93 179.21 2roh h THR 83 N 1.16 1.46 -0.00 6.26 2.02 -1.30 0.06 112.91 122.58 2roh h THR 83 Ca 0.31 -2.20 0.00 0.00 0.77 0.00 0.00 66.41 65.29 2roh h THR 83 Cb -0.07 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2roh h THR 83 CO -0.06 0.63 -0.20 0.00 0.37 0.00 0.00 175.52 176.26 2roh n ALA 84 N -2.42 2.90 -0.08 6.16 0.00 -0.45 -3.87 120.51 122.75 2roh n ALA 84 Ca -0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.06 2roh n ALA 84 Cb 0.64 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.14 1.90 -3.85 0.00 2.88 -0.00 -5.02 113.62 108.39 2roh n SER 85 Ca 0.11 -0.05 -0.26 0.00 -1.33 0.00 0.00 58.87 57.34 2roh n SER 85 Cb 0.31 0.33 0.20 0.00 -0.75 0.00 0.00 64.21 64.29 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 -2.78 0.00 -0.81 2.46 -5.35 -0.01 -4.90 119.36 107.97 2roh n ILE 86 Ca -0.28 -0.17 -0.33 0.00 -0.27 0.00 0.00 62.75 61.69 2roh n ILE 86 Cb 0.92 -0.68 0.12 0.00 -1.74 0.00 0.00 39.64 38.26 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 -4.78 -2.96 0.20 -1.28 0.00 -1.26 -4.55 120.51 105.88 2roh n ALA 87 Ca 0.05 -0.65 0.06 0.00 0.00 0.00 0.00 53.44 52.90 2roh n ALA 87 Cb 0.51 -1.72 0.42 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.54 0.00 0.00 0.00 0.13 -1.96 0.24 132.00 128.88 2roh h PRO 88 Ca -0.44 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 2roh h PRO 88 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2roh h PRO 88 CO 0.33 0.32 -0.55 -0.56 -0.23 0.00 0.00 178.00 177.32 2roh h GLN 89 N 0.00 0.00 0.05 0.86 3.07 -1.99 -3.32 115.11 113.79 2roh h GLN 89 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 58.65 58.37 2roh h GLN 89 Cb 0.74 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.25 2roh h GLN 89 CO 0.04 0.25 -2.19 1.04 0.09 0.00 0.00 178.83 178.06 2roh n GLN 90 N -3.06 0.70 0.12 0.06 1.13 -1.07 -4.18 117.38 111.08 2roh n GLN 90 Ca 0.01 0.20 0.19 0.00 -1.94 0.00 0.00 57.00 55.45 2roh n GLN 90 Cb 0.66 -1.63 0.76 0.00 0.11 0.00 0.00 30.24 30.15 2roh n GLN 90 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2roh h ARG 91 N 0.03 0.00 -5.54 -1.09 0.11 -0.65 -3.40 114.38 103.83 2roh h ARG 91 Ca -0.48 0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.08 2roh h ARG 91 Cb 2.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 33.06 2roh h ARG 91 CO 0.01 0.00 1.62 -2.13 0.10 0.00 0.00 179.97 179.58 2roh n ARG 92 N -3.89 0.83 0.00 0.08 0.63 -1.25 -4.73 116.66 108.34 2roh n ARG 92 Ca 0.05 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 2roh n ARG 92 Cb 0.50 -2.76 0.00 0.00 0.45 0.00 0.00 32.46 30.64 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 6.22 1.56 3.96 5.14 0.00 -1.26 -5.09 105.19 115.72 2roh n GLY 93 Ca 0.45 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 3.85 -1.11 4.61 0.00 -1.26 -5.00 121.76 120.84 2roh s ALA 94 Ca 0.00 -1.12 -0.23 0.00 0.00 0.00 0.00 51.96 50.61 2roh s ALA 94 Cb 0.00 -1.87 -0.08 0.00 0.00 0.00 0.00 23.12 21.17 2roh s ALA 94 CO 0.00 0.13 1.94 -1.25 0.00 0.00 0.00 175.76 176.58 2roh s PRO 95 N -4.11 2.51 0.21 0.00 0.04 -1.26 -4.92 135.00 127.46 2roh s PRO 95 Ca 0.37 -0.95 0.11 0.00 0.04 0.00 0.00 61.00 60.57 2roh s PRO 95 Cb -0.09 -5.20 -0.04 0.00 0.04 0.00 0.00 34.50 29.20 2roh s PRO 95 CO 0.32 -3.84 -0.19 0.14 0.04 0.00 0.00 177.00 173.46 2roh s VAL 96 N 10.81 2.59 0.42 -0.36 -7.23 -1.26 -5.05 120.40 120.32 2roh s VAL 96 Ca 0.69 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.61 2roh s VAL 96 Cb -0.02 -2.28 -0.08 0.00 0.56 0.00 0.00 36.38 34.56 2roh s VAL 96 CO 0.10 -0.17 1.18 -2.16 -0.31 0.00 0.00 175.10 173.74 2roh s PRO 97 N -2.87 3.94 0.41 4.82 0.04 -1.26 -4.94 135.00 135.15 2roh s PRO 97 Ca 0.23 1.84 0.11 0.00 0.04 0.00 0.00 61.00 63.23 2roh s PRO 97 Cb -0.08 -2.59 0.88 0.00 0.04 0.00 0.00 34.50 32.76 2roh s PRO 97 CO 0.12 -0.42 1.97 -0.56 0.04 0.00 0.00 177.00 178.15 2roh h GLN 98 N 2.43 0.20 -0.73 4.56 3.07 -2.01 -2.32 115.11 120.31 2roh h GLN 98 Ca -0.49 -0.04 0.12 0.00 0.09 0.00 0.00 58.65 58.33 2roh h GLN 98 Cb 1.24 -0.03 -0.05 0.00 0.08 0.00 0.00 27.48 28.72 2roh h GLN 98 CO 0.62 0.30 0.48 1.05 0.09 0.00 0.00 178.83 181.37 2roh h GLU 99 N 0.19 0.52 -0.79 0.06 4.11 -1.99 -0.66 114.58 116.03 2roh h GLU 99 Ca 0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 2roh h GLU 99 Cb 0.28 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2roh h GLU 99 CO 0.01 0.34 0.47 -0.07 0.07 0.00 0.00 179.01 179.84 2roh h LEU 100 N 0.53 0.95 -0.56 3.06 4.07 -1.80 0.38 115.31 121.94 2roh h LEU 100 Ca 0.35 -0.07 -0.10 0.00 0.08 0.00 0.00 57.88 58.14 2roh h LEU 100 Cb 0.62 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 2roh h LEU 100 CO -0.12 0.74 -0.47 -0.07 -1.08 0.00 0.00 178.44 177.44 2roh h LEU 101 N 1.08 0.00 -0.10 1.67 -0.00 -1.28 -2.28 115.31 114.41 2roh h LEU 101 Ca 0.28 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.92 2roh h LEU 101 Cb -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.64 2roh h LEU 101 CO -0.05 0.47 -0.96 -0.78 -0.00 0.00 0.00 178.44 177.12 2roh h ASP 102 N 0.00 0.78 -0.09 -0.43 1.82 -0.54 -2.08 116.42 115.88 2roh h ASP 102 Ca -0.00 -0.60 -0.11 0.00 -0.39 0.00 0.00 57.03 55.92 2roh h ASP 102 Cb 1.12 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.90 2roh h ASP 102 CO 0.06 1.40 -0.39 0.08 -1.61 0.00 0.00 179.24 178.78 2roh h ARG 103 N 0.36 0.42 -0.68 0.28 0.11 -0.94 -1.84 114.38 112.10 2roh h ARG 103 Ca -0.10 -0.33 -0.05 0.00 0.10 0.00 0.00 59.98 59.60 2roh h ARG 103 Cb 1.60 0.07 -0.03 0.00 1.11 0.00 0.00 29.97 32.71 2roh h ARG 103 CO 0.18 0.97 0.21 -0.39 0.10 0.00 0.00 179.97 181.04 2roh h VAL 104 N -0.04 1.25 0.18 0.08 -1.51 -1.50 -1.83 116.25 112.89 2roh h VAL 104 Ca -0.02 -0.87 -0.01 0.00 -1.23 0.00 0.00 66.70 64.57 2roh h VAL 104 Cb 1.04 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 2roh h VAL 104 CO 0.08 0.34 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.60 2roh h LEU 105 N 0.99 -0.21 -0.87 4.19 3.38 -1.42 -1.66 115.31 119.71 2roh h LEU 105 Ca 0.22 -0.24 0.13 0.00 0.09 0.00 0.00 57.88 58.08 2roh h LEU 105 Cb 0.30 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 2roh h LEU 105 CO -0.01 0.14 0.48 0.00 0.09 0.00 0.00 178.44 179.15 2roh h ALA 106 N 0.15 1.30 -0.58 1.53 0.00 -1.30 -0.94 119.26 119.42 2roh h ALA 106 Ca -0.02 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2roh h ALA 106 Cb 0.43 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2roh h ALA 106 CO 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 179.25 179.27 2roh h ALA 107 N 1.54 0.79 -0.40 0.00 0.00 -1.28 -0.63 119.26 119.27 2roh h ALA 107 Ca 0.46 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 55.13 2roh h ALA 107 Cb 0.58 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2roh h ALA 107 CO -0.32 0.63 0.03 0.37 0.00 0.00 0.00 179.25 179.96 2roh h GLN 108 N 0.93 0.13 0.00 0.00 5.75 -0.19 -1.24 115.11 120.50 2roh h GLN 108 Ca 0.16 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.52 2roh h GLN 108 Cb 0.57 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 2roh h GLN 108 CO 0.03 0.09 -0.62 0.00 -2.65 0.00 0.00 178.83 175.68 2roh h ALA 109 N 1.34 0.78 -0.56 3.38 0.00 -1.37 -3.24 119.26 119.59 2roh h ALA 109 Ca 0.20 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.55 2roh h ALA 109 Cb 0.27 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2roh h ALA 109 CO -0.31 0.78 0.37 -0.92 0.00 0.00 0.00 179.25 179.17 2roh h TYR 110 N 0.00 0.70 0.00 0.00 3.20 0.01 -1.29 116.97 119.59 2roh h TYR 110 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2roh h TYR 110 Cb 1.25 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.28 2roh h TYR 110 CO 0.00 0.45 0.00 -1.49 -1.64 0.00 0.00 178.16 175.48 2roh h TRP 111 N 0.76 0.00 -2.08 -3.82 6.55 -1.34 -3.43 115.95 112.58 2roh h TRP 111 Ca 0.20 0.00 -0.57 0.00 0.95 0.00 0.00 58.89 59.47 2roh h TRP 111 Cb -0.09 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.22 2roh h TRP 111 CO -0.04 0.00 1.43 0.45 -1.05 0.00 0.00 178.44 179.24 2roh s SER 112 N -5.50 5.70 -0.09 -3.49 0.15 -0.49 -4.80 113.70 105.18 2roh s SER 112 Ca 0.00 2.10 0.11 0.00 0.70 0.00 0.00 55.95 58.86 2roh s SER 112 Cb 0.09 -2.52 -0.15 0.00 -1.71 0.00 0.00 66.02 61.74 2roh s SER 112 CO 0.51 -1.73 0.09 1.33 1.20 0.00 0.00 173.24 174.64 2roh n VAL 113 N 7.19 0.61 -1.89 4.45 0.24 -1.26 -5.04 118.33 122.62 2roh n VAL 113 Ca 0.27 -0.44 -0.01 0.00 -2.04 0.00 0.00 64.34 62.12 2roh n VAL 113 Cb 0.44 -0.49 -0.01 0.00 -1.47 0.00 0.00 33.84 32.31 2roh n VAL 113 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2roh n ASP 114 N -2.31 -5.12 -3.64 -1.34 2.03 -1.26 -5.09 116.55 99.81 2roh n ASP 114 Ca -0.15 1.04 -0.10 0.00 0.52 0.00 0.00 54.79 56.09 2roh n ASP 114 Cb 0.75 -3.52 -0.07 0.00 -0.72 0.00 0.00 41.12 37.55 2roh n ASP 114 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2roh s SER 115 N -0.37 -0.84 0.26 1.67 1.04 -1.26 -5.15 113.70 109.05 2roh s SER 115 Ca -0.04 1.46 -0.30 0.00 0.48 0.00 0.00 55.95 57.55 2roh s SER 115 Cb 0.00 1.41 -0.09 0.00 0.10 0.00 0.00 66.02 67.44 2roh s SER 115 CO 0.12 -0.24 1.09 -0.94 0.98 0.00 0.00 173.24 174.25 2roh s SER 116 N 1.02 7.29 0.00 7.02 1.04 -1.26 -4.16 113.70 124.65 2roh s SER 116 Ca -0.05 2.23 0.00 0.00 0.48 0.00 0.00 55.95 58.60 2roh s SER 116 Cb -0.05 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.45 2roh s SER 116 CO -0.10 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2roh n GLY 117 N 1.34 1.76 3.25 7.32 0.00 -1.26 -5.06 105.19 112.54 2roh n GLY 117 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 2roh n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2roh n ARG 118 N -0.50 3.73 -4.05 1.61 5.12 -1.26 -4.72 116.66 116.59 2roh n ARG 118 Ca 0.00 -4.31 -0.32 0.00 -1.93 0.00 0.00 57.85 51.30 2roh n ARG 118 Cb 0.00 -2.66 -0.07 0.00 -1.16 0.00 0.00 32.46 28.57 2roh n ARG 118 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2roh n ILE 119 N 2.77 -0.37 -2.64 0.55 -5.35 -1.26 -4.85 119.36 108.20 2roh n ILE 119 Ca 0.28 -0.18 -0.34 0.00 -0.27 0.00 0.00 62.75 62.24 2roh n ILE 119 Cb 0.38 -0.60 -0.05 0.00 -1.74 0.00 0.00 39.64 37.63 2roh n ILE 119 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2roh s VAL 120 N -3.45 3.99 -0.06 7.28 1.01 -1.26 -4.98 120.40 122.92 2roh s VAL 120 Ca 0.40 1.25 0.02 0.00 0.00 0.00 0.00 61.98 63.65 2roh s VAL 120 Cb -0.23 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2roh s VAL 120 CO 0.85 -0.25 -0.04 0.41 0.00 0.00 0.00 175.10 176.07 2roh n THR 121 N -0.81 0.38 1.93 3.92 -1.04 -1.26 -5.09 114.28 112.30 2roh n THR 121 Ca 0.08 -0.17 0.16 0.00 -2.04 0.00 0.00 64.05 62.08 2roh n THR 121 Cb 0.53 -0.77 0.89 0.00 -1.82 0.00 0.00 70.33 69.15 2roh n THR 121 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32