#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roh s SER 2 N 0.00 0.43 0.49 1.61 0.01 -1.26 -5.15 113.70 109.83 2roh s SER 2 Ca 0.00 -0.98 -0.22 0.00 1.31 0.00 0.00 55.95 56.06 2roh s SER 2 Cb 0.00 0.23 -0.07 0.00 0.21 0.00 0.00 66.02 66.39 2roh s SER 2 CO 0.00 -0.63 1.15 -2.16 0.41 0.00 0.00 173.24 172.01 2roh s PRO 3 N -3.93 3.61 -0.17 12.44 0.04 -1.26 -5.05 135.00 140.69 2roh s PRO 3 Ca 0.09 1.71 -0.31 0.00 0.04 0.00 0.00 61.00 62.53 2roh s PRO 3 Cb 0.08 -2.26 0.14 0.00 0.04 0.00 0.00 34.50 32.50 2roh s PRO 3 CO -0.09 -0.66 1.11 -0.59 0.04 0.00 0.00 177.00 176.82 2roh s PHE 4 N -1.63 -0.23 -1.43 0.56 -0.71 -1.26 -4.98 117.98 108.30 2roh s PHE 4 Ca 0.67 0.29 -0.11 0.00 -1.04 0.00 0.00 56.93 56.74 2roh s PHE 4 Cb -0.27 0.49 0.04 0.00 -1.21 0.00 0.00 43.02 42.08 2roh s PHE 4 CO 0.32 -0.27 1.10 0.00 -1.34 0.00 0.00 175.22 175.03 2roh n ALA 5 N 0.29 -1.30 -1.78 1.99 0.00 -1.26 -4.97 120.51 113.48 2roh n ALA 5 Ca -0.05 0.32 -0.31 0.00 0.00 0.00 0.00 53.44 53.40 2roh n ALA 5 Cb 0.59 -5.09 0.03 0.00 0.00 0.00 0.00 19.45 14.97 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 -3.32 5.87 1.01 0.00 1.11 -1.26 -5.06 116.67 115.02 2roh s ASP 6 Ca 0.62 1.44 -0.12 0.00 0.18 0.00 0.00 52.55 54.67 2roh s ASP 6 Cb -0.29 -2.41 0.19 0.00 1.07 0.00 0.00 42.92 41.48 2roh s ASP 6 CO 0.77 -1.11 1.09 -2.16 1.18 0.00 0.00 175.17 174.95 2roh s PRO 7 N -5.16 0.34 -0.18 8.23 0.04 -1.26 -5.09 135.00 131.93 2roh s PRO 7 Ca 0.56 0.49 -0.15 0.00 0.04 0.00 0.00 61.00 61.95 2roh s PRO 7 Cb -0.12 -1.73 0.05 0.00 0.04 0.00 0.00 34.50 32.74 2roh s PRO 7 CO 0.54 -2.79 0.46 0.54 0.04 0.00 0.00 177.00 175.79 2roh s ASN 8 N -3.46 -0.50 -0.07 6.66 2.20 -1.26 -5.15 114.94 113.36 2roh s ASN 8 Ca 0.65 0.94 0.00 0.00 -0.94 0.00 0.00 52.86 53.51 2roh s ASN 8 Cb -0.19 0.92 0.02 0.00 -2.00 0.00 0.00 41.25 40.00 2roh s ASN 8 CO 0.58 -0.17 -0.05 -0.55 -2.94 0.00 0.00 177.10 173.97 2roh s SER 9 N 0.53 1.52 -0.30 3.54 0.15 -1.26 -5.10 113.70 112.77 2roh s SER 9 Ca -0.02 -0.17 -0.10 0.00 0.70 0.00 0.00 55.95 56.36 2roh s SER 9 Cb -0.04 -0.58 0.18 0.00 -1.71 0.00 0.00 66.02 63.87 2roh s SER 9 CO -0.03 -0.10 0.91 -0.22 1.20 0.00 0.00 173.24 174.99 2roh s LEU 10 N 1.40 -0.75 -0.30 3.45 1.98 -1.26 -5.14 118.68 118.05 2roh s LEU 10 Ca -0.03 0.55 -0.02 0.00 -2.89 0.00 0.00 54.13 51.74 2roh s LEU 10 Cb -0.13 1.66 0.19 0.00 0.66 0.00 0.00 46.19 48.57 2roh s LEU 10 CO -0.03 -0.14 0.63 0.00 -1.89 0.00 0.00 176.35 174.91 2roh s ALA 11 N 2.86 -2.33 -0.13 5.97 0.00 -1.26 -5.15 121.76 121.72 2roh s ALA 11 Ca 0.05 1.82 -0.02 0.00 0.00 0.00 0.00 51.96 53.82 2roh s ALA 11 Cb -0.11 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 2roh s ALA 11 CO -0.15 -1.34 -0.08 -0.51 0.00 0.00 0.00 175.76 173.68 2roh s LEU 12 N 2.87 3.03 -0.08 0.00 1.43 -1.26 -5.11 118.68 119.55 2roh s LEU 12 Ca 0.20 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 2roh s LEU 12 Cb -0.15 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.39 2roh s LEU 12 CO -0.20 0.20 -0.14 0.00 0.23 0.00 0.00 176.35 176.44 2roh s ALA 13 N 0.18 1.45 -0.06 4.21 0.00 -1.26 -5.13 121.76 121.14 2roh s ALA 13 Ca -0.04 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.43 2roh s ALA 13 Cb -0.14 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 2roh s ALA 13 CO 0.04 0.05 -0.24 1.21 0.00 0.00 0.00 175.76 176.83 2roh s ASN 14 N 0.77 3.18 -0.16 0.00 3.84 -1.26 -5.12 114.94 116.20 2roh s ASN 14 Ca -0.12 -0.48 -0.06 0.00 0.21 0.00 0.00 52.86 52.40 2roh s ASN 14 Cb -0.16 -0.91 -0.04 0.00 -0.55 0.00 0.00 41.25 39.59 2roh s ASN 14 CO 0.02 0.24 0.06 0.54 -2.79 0.00 0.00 177.10 175.18 2roh s VAL 15 N -0.15 4.82 0.54 -5.21 0.11 -1.26 -5.09 120.40 114.16 2roh s VAL 15 Ca -0.04 -0.03 -0.19 0.00 -2.93 0.00 0.00 61.98 58.78 2roh s VAL 15 Cb -0.14 -3.13 -0.06 0.00 -1.53 0.00 0.00 36.38 31.52 2roh s VAL 15 CO 0.04 0.51 1.13 -2.16 -3.33 0.00 0.00 175.10 171.29 2roh s PRO 16 N -0.06 3.35 0.05 1.54 0.04 -1.26 -5.06 135.00 133.60 2roh s PRO 16 Ca 0.07 1.61 0.06 0.00 0.04 0.00 0.00 61.00 62.77 2roh s PRO 16 Cb -0.12 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 2roh s PRO 16 CO 0.01 -0.85 -0.16 -1.17 0.04 0.00 0.00 177.00 174.87 2roh s LEU 17 N -3.80 2.19 -0.02 -3.56 2.96 -1.26 -5.15 118.68 110.05 2roh s LEU 17 Ca 0.73 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 54.16 2roh s LEU 17 Cb -0.24 -0.71 -0.01 0.00 0.50 0.00 0.00 46.19 45.74 2roh s LEU 17 CO 0.27 0.05 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.79 2roh s SER 18 N -1.29 1.51 -0.15 3.68 0.01 -1.26 -5.13 113.70 111.07 2roh s SER 18 Ca 0.03 -0.24 -0.06 0.00 1.31 0.00 0.00 55.95 57.00 2roh s SER 18 Cb -0.08 -0.24 0.07 0.00 0.21 0.00 0.00 66.02 65.98 2roh s SER 18 CO 0.02 0.14 0.33 -0.13 0.41 0.00 0.00 173.24 174.00 2roh s ARG 19 N -0.17 0.23 -0.21 12.44 0.52 -1.26 -5.13 118.95 125.37 2roh s ARG 19 Ca 0.03 0.83 -0.29 0.00 -0.52 0.00 0.00 55.73 55.77 2roh s ARG 19 Cb -0.06 0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.49 2roh s ARG 19 CO -0.00 -0.25 1.02 0.45 0.02 0.00 0.00 175.30 176.54 2roh s SER 20 N 2.29 7.11 0.17 0.23 0.15 -1.26 -5.03 113.70 117.36 2roh s SER 20 Ca -0.02 1.39 0.04 0.00 0.70 0.00 0.00 55.95 58.06 2roh s SER 20 Cb -0.12 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.61 2roh s SER 20 CO -0.10 -0.63 -0.06 -1.59 1.20 0.00 0.00 173.24 172.06 2roh s LYS 21 N 2.99 1.12 0.13 5.44 0.00 -1.26 -5.17 119.74 122.99 2roh s LYS 21 Ca 0.44 -1.51 0.04 0.00 0.00 0.00 0.00 55.97 54.95 2roh s LYS 21 Cb -0.16 -0.56 -0.04 0.00 0.00 0.00 0.00 37.83 37.07 2roh s LYS 21 CO 0.08 0.00 -0.11 -0.98 0.00 0.00 0.00 175.35 174.35 2roh s ARG 22 N -3.80 0.98 0.35 1.78 1.70 -1.26 -5.05 118.95 113.65 2roh s ARG 22 Ca 0.20 -1.32 0.14 0.00 -0.47 0.00 0.00 55.73 54.28 2roh s ARG 22 Cb 0.04 -0.64 0.63 0.00 -0.57 0.00 0.00 34.95 34.41 2roh s ARG 22 CO 0.03 0.09 1.75 -1.00 -1.08 0.00 0.00 175.30 175.09 2roh h PRO 23 N 3.16 0.00 -3.82 3.89 0.13 -2.04 -3.46 132.00 129.86 2roh h PRO 23 Ca -0.37 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.50 2roh h PRO 23 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2roh h PRO 23 CO 0.58 0.44 -0.33 -0.25 -0.23 0.00 0.00 178.00 178.21 2roh n ASP 24 N -3.88 -3.99 -4.47 1.44 8.00 -1.26 -4.94 116.55 107.45 2roh n ASP 24 Ca -0.01 0.18 -0.31 0.00 0.71 0.00 0.00 54.79 55.35 2roh n ASP 24 Cb 0.48 -3.39 -0.13 0.00 -0.02 0.00 0.00 41.12 38.07 2roh n ASP 24 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2roh s PHE 25 N -2.64 2.62 -0.13 1.24 5.36 -1.26 -5.12 117.98 118.05 2roh s PHE 25 Ca 0.01 -0.22 -0.00 0.00 -0.96 0.00 0.00 56.93 55.76 2roh s PHE 25 Cb -0.00 -1.51 0.03 0.00 -0.34 0.00 0.00 43.02 41.19 2roh s PHE 25 CO 0.01 0.24 -0.10 0.20 -1.46 0.00 0.00 175.22 174.12 2roh s GLY 26 N -1.27 0.94 -0.09 13.12 0.00 -1.26 -5.12 107.32 113.63 2roh s GLY 26 Ca 0.14 -0.69 0.04 0.00 0.00 0.00 0.00 44.72 44.21 2roh s GLY 26 CO 0.04 0.73 -0.21 -0.86 0.00 0.00 0.00 173.10 172.80 2roh s GLN 27 N 1.63 2.76 -0.29 2.90 -2.07 -1.26 -5.01 119.66 118.33 2roh s GLN 27 Ca 0.05 -0.78 0.07 0.00 -1.82 0.00 0.00 55.36 52.87 2roh s GLN 27 Cb -0.13 -2.11 0.58 0.00 -1.09 0.00 0.00 33.01 30.27 2roh s GLN 27 CO -0.09 0.15 1.63 2.89 -1.32 0.00 0.00 175.29 178.55 2roh n ARG 28 N 3.58 2.90 -0.88 9.60 1.85 -1.26 -4.95 116.66 127.50 2roh n ARG 28 Ca -0.20 -2.44 -0.18 0.00 -1.00 0.00 0.00 57.85 54.03 2roh n ARG 28 Cb 0.53 -2.01 0.14 0.00 -1.05 0.00 0.00 32.46 30.07 2roh n ARG 28 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2roh n ARG 29 N -0.25 -1.63 -2.59 2.89 1.74 -1.26 -5.00 116.66 110.56 2roh n ARG 29 Ca 0.37 -1.16 -0.40 0.00 -0.77 0.00 0.00 57.85 55.89 2roh n ARG 29 Cb 1.25 -0.93 -0.05 0.00 -1.02 0.00 0.00 32.46 31.71 2roh n ARG 29 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2roh s ILE 30 N -2.48 3.74 0.57 0.55 -1.09 -1.26 -5.06 121.20 116.17 2roh s ILE 30 Ca 0.45 1.75 0.07 0.00 -2.23 0.00 0.00 60.65 60.69 2roh s ILE 30 Cb -0.03 -4.12 0.06 0.00 -1.58 0.00 0.00 42.46 36.79 2roh s ILE 30 CO 0.33 0.42 0.54 -0.13 -1.23 0.00 0.00 174.94 174.86 2roh s ARG 31 N -1.32 2.25 0.63 2.79 1.81 -1.26 -5.12 118.95 118.72 2roh s ARG 31 Ca 0.43 -1.94 -0.11 0.00 -1.72 0.00 0.00 55.73 52.39 2roh s ARG 31 Cb -0.29 -2.26 -0.03 0.00 -0.45 0.00 0.00 34.95 31.92 2roh s ARG 31 CO 0.37 -0.74 1.03 1.03 -0.68 0.00 0.00 175.30 176.31 2roh s ARG 32 N -4.42 3.52 0.11 3.54 0.52 -1.26 -5.01 118.95 115.94 2roh s ARG 32 Ca 0.42 0.70 -0.31 0.00 -0.52 0.00 0.00 55.73 56.02 2roh s ARG 32 Cb -0.03 -2.08 -0.08 0.00 0.52 0.00 0.00 34.95 33.28 2roh s ARG 32 CO 0.26 -0.61 1.36 -1.25 0.02 0.00 0.00 175.30 175.09 2roh s PRO 33 N -5.19 4.34 0.32 3.54 0.04 -1.26 -5.03 135.00 131.76 2roh s PRO 33 Ca 0.55 2.03 0.10 0.00 0.04 0.00 0.00 61.00 63.72 2roh s PRO 33 Cb -0.11 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.12 2roh s PRO 33 CO 0.53 -0.41 -0.04 -0.59 0.04 0.00 0.00 177.00 176.54 2roh s PHE 34 N 1.08 2.51 0.18 0.56 -0.12 -1.26 -5.15 117.98 115.78 2roh s PHE 34 Ca 0.64 -0.40 0.06 0.00 -0.05 0.00 0.00 56.93 57.17 2roh s PHE 34 Cb -0.36 -1.36 -0.04 0.00 -0.63 0.00 0.00 43.02 40.63 2roh s PHE 34 CO 0.30 0.55 0.14 0.99 -0.05 0.00 0.00 175.22 177.15 2roh s THR 35 N -2.51 4.45 0.41 -4.49 2.01 -1.26 -4.95 115.64 109.31 2roh s THR 35 Ca 0.33 -1.16 0.18 0.00 0.31 0.00 0.00 61.69 61.35 2roh s THR 35 Cb -0.01 -3.30 0.38 0.00 0.01 0.00 0.00 72.50 69.58 2roh s THR 35 CO 0.18 -0.16 1.84 1.62 -0.69 0.00 0.00 174.62 177.41 2roh h VAL 36 N 1.94 0.65 -0.04 3.82 3.04 -1.98 0.16 116.25 123.84 2roh h VAL 36 Ca -0.48 -0.14 -0.02 0.00 -1.01 0.00 0.00 66.70 65.05 2roh h VAL 36 Cb 1.21 0.20 -0.00 0.00 -2.01 0.00 0.00 31.29 30.69 2roh h VAL 36 CO 0.62 0.07 -0.05 0.00 -1.01 0.00 0.00 177.57 177.21 2roh h ALA 37 N 1.61 0.07 -0.07 3.17 0.00 -1.98 -0.87 119.26 121.18 2roh h ALA 37 Ca 0.50 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2roh h ALA 37 Cb 1.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2roh h ALA 37 CO -0.20 -0.14 0.03 0.93 0.00 0.00 0.00 179.25 179.87 2roh h GLU 38 N -0.35 0.10 -0.68 0.00 3.07 -1.59 -1.91 114.58 113.22 2roh h GLU 38 Ca 0.01 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 2roh h GLU 38 Cb 0.56 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.42 2roh h GLU 38 CO 0.01 0.19 0.32 0.28 -1.40 0.00 0.00 179.01 178.40 2roh h VAL 39 N -0.01 1.22 0.19 3.13 2.07 -0.81 -1.73 116.25 120.31 2roh h VAL 39 Ca 0.02 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2roh h VAL 39 Cb 0.12 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2roh h VAL 39 CO -0.00 0.26 -0.09 -0.33 0.02 0.00 0.00 177.57 177.43 2roh h GLU 40 N 0.96 -0.25 -0.85 1.57 5.08 -0.91 0.36 114.58 120.54 2roh h GLU 40 Ca 0.23 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2roh h GLU 40 Cb 0.11 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2roh h GLU 40 CO -0.03 -0.13 0.56 -0.07 -1.00 0.00 0.00 179.01 178.35 2roh h LEU 41 N -0.31 0.97 0.87 1.33 3.38 -1.18 0.98 115.31 121.36 2roh h LEU 41 Ca -0.03 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2roh h LEU 41 Cb 0.24 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.76 2roh h LEU 41 CO 0.04 0.70 -0.42 0.25 0.09 0.00 0.00 178.44 179.11 2roh h LEU 42 N 1.15 -0.99 -0.89 1.67 5.85 -1.12 -0.42 115.31 120.56 2roh h LEU 42 Ca 0.31 0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.17 2roh h LEU 42 Cb -0.12 0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 2roh h LEU 42 CO -0.07 -0.64 0.54 0.58 -0.34 0.00 0.00 178.44 178.51 2roh h VAL 43 N -1.31 0.93 -0.31 1.05 2.07 -0.86 -0.49 116.25 117.34 2roh h VAL 43 Ca -0.12 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 2roh h VAL 43 Cb 0.90 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2roh h VAL 43 CO 0.20 0.16 -0.02 -0.08 0.02 0.00 0.00 177.57 177.85 2roh h GLU 44 N 0.89 0.47 0.01 1.57 4.81 -0.74 0.41 114.58 122.00 2roh h GLU 44 Ca 0.43 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2roh h GLU 44 Cb 0.38 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2roh h GLU 44 CO -0.24 0.52 -0.00 0.00 -0.73 0.00 0.00 179.01 178.55 2roh h ALA 45 N 1.53 -0.01 0.00 2.92 0.00 0.61 0.31 119.26 124.62 2roh h ALA 45 Ca 0.10 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 2roh h ALA 45 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2roh h ALA 45 CO 0.01 -0.44 -0.85 -0.24 0.00 0.00 0.00 179.25 177.74 2roh h VAL 46 N -0.15 1.59 0.00 0.00 3.04 -1.29 -3.21 116.25 116.23 2roh h VAL 46 Ca -0.00 -2.92 -0.00 0.00 -1.01 0.00 0.00 66.70 62.77 2roh h VAL 46 Cb 0.15 2.59 0.00 0.00 -2.01 0.00 0.00 31.29 32.01 2roh h VAL 46 CO 0.00 0.83 -0.00 -0.08 -1.01 0.00 0.00 177.57 177.31 2roh h GLU 47 N 0.00 -0.00 -0.75 4.17 4.81 -0.08 0.47 114.58 123.19 2roh h GLU 47 Ca -0.01 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.40 2roh h GLU 47 Cb 1.52 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.85 2roh h GLU 47 CO 0.11 0.56 0.51 1.25 -0.73 0.00 0.00 179.01 180.72 2roh h HIS 48 N -0.57 0.31 -0.30 0.92 2.76 -0.47 0.21 115.15 118.01 2roh h HIS 48 Ca -0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2roh h HIS 48 Cb 0.57 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.43 2roh h HIS 48 CO 0.12 0.11 0.00 1.28 -1.30 0.00 0.00 177.93 178.14 2roh n LEU 49 N -4.43 2.92 0.00 0.26 4.77 -1.19 -5.03 117.00 114.30 2roh n LEU 49 Ca 0.15 -1.58 0.00 0.00 -0.03 0.00 0.00 56.01 54.55 2roh n LEU 49 Cb 0.64 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2roh n LEU 49 CO 0.34 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 2roh n GLY 50 N 0.94 0.66 2.48 -0.72 0.00 0.16 -3.06 105.19 105.65 2roh n GLY 50 Ca 0.14 0.67 -0.27 0.00 0.00 0.00 0.00 46.02 46.55 2roh n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2roh n THR 51 N 0.00 -0.57 0.00 2.61 -2.24 -1.26 -4.51 114.28 108.30 2roh n THR 51 Ca 0.00 -3.77 0.00 0.00 -2.27 0.00 0.00 64.05 58.01 2roh n THR 51 Cb 0.00 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 66.45 2roh n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2roh n GLY 52 N 2.55 5.41 3.70 3.38 0.00 -1.17 -5.10 105.19 113.95 2roh n GLY 52 Ca 0.28 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 2roh n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2roh n ARG 53 N 0.00 2.75 0.09 1.61 1.74 -1.26 -4.88 116.66 116.70 2roh n ARG 53 Ca 0.00 1.00 -0.04 0.00 -0.77 0.00 0.00 57.85 58.03 2roh n ARG 53 Cb 0.00 -2.87 0.14 0.00 -1.02 0.00 0.00 32.46 28.71 2roh n ARG 53 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2roh h TRP 54 N 7.77 0.29 -0.47 -1.55 -0.00 -1.99 -3.18 115.95 116.83 2roh h TRP 54 Ca -0.45 -0.11 0.06 0.00 -0.00 0.00 0.00 58.89 58.39 2roh h TRP 54 Cb 1.22 -0.05 -0.05 0.00 -0.00 0.00 0.00 29.16 30.27 2roh h TRP 54 CO 0.73 0.75 0.19 -0.09 -0.00 0.00 0.00 178.44 180.01 2roh h ARG 55 N 0.18 0.36 -0.44 0.49 2.43 -1.93 -0.75 114.38 114.72 2roh h ARG 55 Ca -0.00 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 2roh h ARG 55 Cb 1.06 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 2roh h ARG 55 CO 0.09 0.24 0.30 0.22 -1.51 0.00 0.00 179.97 179.31 2roh h ASP 56 N 0.37 0.25 -0.10 -3.80 1.82 -1.95 -1.11 116.42 111.90 2roh h ASP 56 Ca 0.22 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.81 2roh h ASP 56 Cb 0.19 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.15 2roh h ASP 56 CO -0.20 0.16 -0.11 0.58 -1.61 0.00 0.00 179.24 178.05 2roh h VAL 57 N 0.28 1.37 0.00 2.25 2.07 -1.23 0.37 116.25 121.36 2roh h VAL 57 Ca 0.20 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 2roh h VAL 57 Cb 0.42 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2roh h VAL 57 CO -0.04 0.37 -0.16 0.50 0.02 0.00 0.00 177.57 178.26 2roh h LYS 58 N -0.16 0.00 0.08 1.57 3.64 -0.71 0.52 116.57 121.51 2roh h LYS 58 Ca 0.01 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.16 2roh h LYS 58 Cb 0.64 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2roh h LYS 58 CO 0.03 0.16 -1.24 0.35 -2.27 0.00 0.00 179.45 176.48 2roh h PHE 59 N 0.00 0.30 0.00 1.91 3.57 -1.13 -3.27 116.94 118.32 2roh h PHE 59 Ca -0.00 -0.22 -0.10 0.00 3.53 0.00 0.00 57.97 61.18 2roh h PHE 59 Cb 0.34 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2roh h PHE 59 CO 0.00 1.48 -0.46 -0.09 -2.23 0.00 0.00 178.31 177.01 2roh h ARG 60 N -0.51 0.00 0.00 1.11 9.65 -0.14 -3.32 114.38 121.17 2roh h ARG 60 Ca -0.28 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 2roh h ARG 60 Cb 1.59 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.17 2roh h ARG 60 CO -0.00 0.46 0.00 0.00 2.80 0.00 0.00 179.97 183.23 2roh n ALA 61 N -2.36 -0.22 0.00 2.80 0.00 0.18 -4.82 120.51 116.09 2roh n ALA 61 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2roh n ALA 61 Cb 0.54 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.17 2roh n ALA 61 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2roh n PHE 62 N -2.02 0.00 -2.79 0.00 1.16 -1.25 -4.79 117.46 107.77 2roh n PHE 62 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.43 2roh n PHE 62 Cb 0.00 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2roh n PHE 62 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 2roh n GLU 63 N -1.46 -2.74 0.00 3.97 2.13 -1.23 -4.67 120.64 116.63 2roh n GLU 63 Ca 0.00 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.29 2roh n GLU 63 Cb 0.00 -5.10 0.00 0.00 0.27 0.00 0.00 31.44 26.61 2roh n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2roh n ASN 64 N -1.94 0.70 -4.79 4.31 2.85 -1.26 -5.07 115.26 110.05 2roh n ASN 64 Ca -0.08 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.01 2roh n ASN 64 Cb 0.57 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.53 2roh n ASN 64 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2roh s VAL 65 N -1.48 5.12 0.00 3.44 0.11 -1.26 -5.09 120.40 121.24 2roh s VAL 65 Ca 0.00 0.83 0.00 0.00 -2.93 0.00 0.00 61.98 59.88 2roh s VAL 65 Cb 0.00 -3.73 0.00 0.00 -1.53 0.00 0.00 36.38 31.12 2roh s VAL 65 CO 0.00 0.48 0.00 1.41 -3.33 0.00 0.00 175.10 173.66 2roh n HIS 66 N 2.63 -3.54 -2.94 1.54 8.25 -1.26 -4.72 115.22 115.18 2roh n HIS 66 Ca -0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.22 2roh n HIS 66 Cb 0.52 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.69 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 -1.69 -1.91 -3.65 4.41 -0.00 -1.26 -5.03 115.22 106.09 2roh n HIS 67 Ca 0.00 0.70 0.01 0.00 -0.00 0.00 0.00 57.72 58.43 2roh n HIS 67 Cb 0.00 -3.93 -0.06 0.00 -0.00 0.00 0.00 29.99 25.99 2roh n HIS 67 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 2roh s ARG 68 N -4.31 0.03 0.18 1.57 6.06 -1.26 -5.16 118.95 116.06 2roh s ARG 68 Ca 0.29 0.05 0.11 0.00 -2.50 0.00 0.00 55.73 53.68 2roh s ARG 68 Cb -0.04 0.01 -0.04 0.00 0.06 0.00 0.00 34.95 34.94 2roh s ARG 68 CO 0.59 -0.01 -0.23 0.99 -2.50 0.00 0.00 175.30 174.14 2roh s THR 69 N 0.79 2.22 0.26 4.11 2.01 -1.26 -5.02 115.64 118.75 2roh s THR 69 Ca -0.04 -1.97 -0.02 0.00 0.31 0.00 0.00 61.69 59.97 2roh s THR 69 Cb -0.03 -2.04 0.25 0.00 0.01 0.00 0.00 72.50 70.69 2roh s THR 69 CO -0.11 -0.13 1.71 0.10 -0.69 0.00 0.00 174.62 175.49 2roh h TYR 70 N 3.31 0.49 -0.39 4.92 -0.00 -1.95 0.27 116.97 123.62 2roh h TYR 70 Ca -0.46 0.04 -0.04 0.00 -0.00 0.00 0.00 58.73 58.27 2roh h TYR 70 Cb 1.20 -0.09 -0.02 0.00 -0.00 0.00 0.00 36.73 37.82 2roh h TYR 70 CO 0.68 -0.02 0.05 -0.24 -0.00 0.00 0.00 178.16 178.63 2roh h VAL 71 N 0.38 1.19 -0.36 -0.90 3.04 -1.96 -2.26 116.25 115.39 2roh h VAL 71 Ca 0.47 -0.73 -0.12 0.00 -1.01 0.00 0.00 66.70 65.31 2roh h VAL 71 Cb 0.80 0.84 -0.01 0.00 -2.01 0.00 0.00 31.29 30.91 2roh h VAL 71 CO -0.48 0.26 -0.28 0.44 -1.01 0.00 0.00 177.57 176.50 2roh h ASP 72 N 0.57 0.77 -0.20 3.17 5.19 -0.92 -1.64 116.42 123.35 2roh h ASP 72 Ca 0.13 -0.30 -0.03 0.00 -0.62 0.00 0.00 57.03 56.21 2roh h ASP 72 Cb 0.28 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 2roh h ASP 72 CO 0.00 1.01 0.01 -0.07 -3.12 0.00 0.00 179.24 177.07 2roh h LEU 73 N 0.64 0.33 -0.21 1.55 3.38 -0.76 0.24 115.31 120.49 2roh h LEU 73 Ca 0.08 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2roh h LEU 73 Cb 0.80 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2roh h LEU 73 CO 0.07 0.54 0.09 0.50 0.09 0.00 0.00 178.44 179.73 2roh h LYS 74 N 0.12 0.31 -0.49 1.13 3.11 -1.39 -1.07 116.57 118.29 2roh h LYS 74 Ca 0.06 -0.06 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 2roh h LYS 74 Cb 0.36 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.52 2roh h LYS 74 CO 0.01 0.37 -0.07 -0.44 -2.81 0.00 0.00 179.45 176.51 2roh h ASP 75 N 0.19 0.85 -0.47 4.20 5.19 -1.28 -2.11 116.42 123.00 2roh h ASP 75 Ca 0.07 -0.25 -0.06 0.00 -0.62 0.00 0.00 57.03 56.17 2roh h ASP 75 Cb 0.17 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 2roh h ASP 75 CO -0.01 0.95 0.09 0.50 -3.12 0.00 0.00 179.24 177.65 2roh h LYS 76 N 0.79 0.84 0.08 3.56 1.63 -0.32 -1.62 116.57 121.53 2roh h LYS 76 Ca 0.14 -0.19 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2roh h LYS 76 Cb 0.57 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 2roh h LYS 76 CO 0.03 0.79 -0.04 2.35 -3.45 0.00 0.00 179.45 179.13 2roh h TRP 77 N 0.80 -0.09 -0.46 1.91 7.01 -0.95 -1.74 115.95 122.43 2roh h TRP 77 Ca 0.17 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.23 2roh h TRP 77 Cb 0.36 0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.40 2roh h TRP 77 CO 0.02 0.33 0.15 -0.22 -2.79 0.00 0.00 178.44 175.93 2roh h LYS 78 N -0.54 0.31 0.21 2.65 3.64 -1.32 -0.06 116.57 121.47 2roh h LYS 78 Ca -0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2roh h LYS 78 Cb 0.46 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2roh h LYS 78 CO 0.02 0.21 -0.10 1.15 -2.27 0.00 0.00 179.45 178.45 2roh h THR 79 N 0.32 0.81 -0.34 1.00 2.02 -1.32 -2.05 112.91 113.34 2roh h THR 79 Ca 0.22 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 67.40 2roh h THR 79 Cb 0.23 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2roh h THR 79 CO -0.23 0.02 0.24 0.17 0.37 0.00 0.00 175.52 176.08 2roh h LEU 80 N -0.32 0.13 -0.11 2.58 8.10 -0.98 -1.94 115.31 122.78 2roh h LEU 80 Ca -0.03 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.94 2roh h LEU 80 Cb 0.24 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.43 2roh h LEU 80 CO 0.05 0.09 -0.02 0.58 -4.11 0.00 0.00 178.44 175.02 2roh h VAL 81 N 0.15 1.28 -0.55 0.15 2.07 -0.49 -0.50 116.25 118.37 2roh h VAL 81 Ca 0.16 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.75 2roh h VAL 81 Cb 0.43 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2roh h VAL 81 CO -0.02 0.27 0.36 -0.74 0.02 0.00 0.00 177.57 177.46 2roh h HIS 82 N -0.10 0.69 -0.01 1.57 -0.00 -0.69 -0.71 115.15 115.89 2roh h HIS 82 Ca 0.03 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.32 2roh h HIS 82 Cb 0.42 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 2roh h HIS 82 CO 0.05 0.43 -0.43 1.15 -0.00 0.00 0.00 177.93 179.13 2roh h THR 83 N 0.74 1.31 0.00 6.26 2.02 -1.37 -1.25 112.91 120.62 2roh h THR 83 Ca 0.20 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.91 2roh h THR 83 Cb -0.08 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2roh h THR 83 CO -0.05 0.42 -0.05 0.00 0.37 0.00 0.00 175.52 176.21 2roh n ALA 84 N -2.46 2.45 -0.04 6.16 0.00 -0.20 -3.39 120.51 123.04 2roh n ALA 84 Ca -0.02 -0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.33 2roh n ALA 84 Cb 0.46 -1.43 -0.15 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.53 0.48 -2.64 0.00 2.88 -0.34 -4.99 113.62 107.49 2roh n SER 85 Ca 0.07 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.53 2roh n SER 85 Cb 0.34 1.54 0.05 0.00 -0.75 0.00 0.00 64.21 65.40 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 -2.37 0.00 -3.96 2.46 -5.35 -0.53 -4.91 119.36 104.71 2roh n ILE 86 Ca -0.14 -0.36 -0.21 0.00 -0.27 0.00 0.00 62.75 61.78 2roh n ILE 86 Cb 0.74 -1.64 -0.02 0.00 -1.74 0.00 0.00 39.64 36.97 2roh n ILE 86 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2roh s ALA 87 N -3.62 3.92 0.28 -1.28 0.00 -1.26 -4.95 121.76 114.85 2roh s ALA 87 Ca 0.22 -1.25 0.17 0.00 0.00 0.00 0.00 51.96 51.10 2roh s ALA 87 Cb -0.01 -1.70 0.77 0.00 0.00 0.00 0.00 23.12 22.18 2roh s ALA 87 CO 0.15 0.23 1.80 -1.00 0.00 0.00 0.00 175.76 176.94 2roh h PRO 88 N 1.18 0.00 0.00 0.00 0.13 -1.86 -2.55 132.00 128.90 2roh h PRO 88 Ca -0.51 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 2roh h PRO 88 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2roh h PRO 88 CO 0.61 0.36 -0.22 -0.56 -0.23 0.00 0.00 178.00 177.96 2roh h GLN 89 N 0.00 0.00 0.02 0.86 3.07 -1.97 -2.94 115.11 114.15 2roh h GLN 89 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.43 2roh h GLN 89 Cb 0.77 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.28 2roh h GLN 89 CO 0.05 0.22 -1.78 1.04 0.09 0.00 0.00 178.83 178.45 2roh n GLN 90 N -3.54 0.65 -3.15 0.06 6.02 -1.06 -4.92 117.38 111.45 2roh n GLN 90 Ca -0.01 0.28 0.06 0.00 -0.01 0.00 0.00 57.00 57.32 2roh n GLN 90 Cb 0.37 -1.77 -0.01 0.00 1.02 0.00 0.00 30.24 29.85 2roh n GLN 90 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2roh s ARG 91 N -2.59 0.05 0.58 -1.09 6.06 -0.98 -5.05 118.95 115.92 2roh s ARG 91 Ca -0.07 0.07 -0.19 0.00 -2.50 0.00 0.00 55.73 53.04 2roh s ARG 91 Cb 0.08 0.04 -0.04 0.00 0.06 0.00 0.00 34.95 35.08 2roh s ARG 91 CO 0.82 -0.08 1.21 1.03 -2.50 0.00 0.00 175.30 175.78 2roh s ARG 92 N 2.99 3.07 0.27 5.12 1.81 -1.14 -4.47 118.95 126.59 2roh s ARG 92 Ca 0.10 1.83 0.08 0.00 -1.72 0.00 0.00 55.73 56.03 2roh s ARG 92 Cb -0.05 -1.99 -0.04 0.00 -0.45 0.00 0.00 34.95 32.43 2roh s ARG 92 CO -0.14 -1.13 0.11 0.20 -0.68 0.00 0.00 175.30 173.65 2roh s GLY 93 N -1.55 1.56 0.96 -3.53 0.00 -1.26 -5.08 107.32 98.43 2roh s GLY 93 Ca 0.76 -1.56 -0.13 0.00 0.00 0.00 0.00 44.72 43.79 2roh s GLY 93 CO 0.34 -1.60 0.35 0.00 0.00 0.00 0.00 173.10 172.18 2roh n ALA 94 N -1.06 -2.78 -1.80 3.20 0.00 -1.26 -4.76 120.51 112.05 2roh n ALA 94 Ca -0.07 -0.65 -0.32 0.00 0.00 0.00 0.00 53.44 52.40 2roh n ALA 94 Cb 0.59 -1.76 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 2roh n ALA 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2roh n PRO 95 N -1.59 1.54 -4.40 0.00 -0.04 -1.26 -4.90 135.00 124.36 2roh n PRO 95 Ca 0.06 -2.28 -0.24 0.00 -0.04 0.00 0.00 63.50 61.00 2roh n PRO 95 Cb 0.54 -3.50 -0.11 0.00 -0.04 0.00 0.00 33.50 30.39 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 9.45 2.17 0.75 0.52 -7.23 -1.26 -4.96 120.40 119.84 2roh s VAL 96 Ca 0.66 -2.08 -0.11 0.00 -1.81 0.00 0.00 61.98 58.64 2roh s VAL 96 Cb 0.04 -2.06 0.04 0.00 0.56 0.00 0.00 36.38 34.96 2roh s VAL 96 CO 0.14 -0.26 1.10 -2.16 -0.31 0.00 0.00 175.10 173.60 2roh s PRO 97 N -2.92 2.37 0.41 4.82 0.04 -1.26 -4.94 135.00 133.52 2roh s PRO 97 Ca 0.21 1.22 0.11 0.00 0.04 0.00 0.00 61.00 62.57 2roh s PRO 97 Cb -0.06 -1.91 0.88 0.00 0.04 0.00 0.00 34.50 33.45 2roh s PRO 97 CO 0.10 -1.56 1.97 -0.56 0.04 0.00 0.00 177.00 176.99 2roh h GLN 98 N -0.87 0.21 -0.81 4.56 3.07 -2.00 -2.61 115.11 116.65 2roh h GLN 98 Ca -0.44 -0.04 0.10 0.00 0.09 0.00 0.00 58.65 58.36 2roh h GLN 98 Cb 1.23 -0.03 -0.07 0.00 0.08 0.00 0.00 27.48 28.69 2roh h GLN 98 CO 0.52 0.30 0.46 1.05 0.09 0.00 0.00 178.83 181.25 2roh h GLU 99 N 0.20 0.74 -0.54 0.06 4.11 -1.98 0.14 114.58 117.31 2roh h GLU 99 Ca 0.05 -0.04 0.04 0.00 0.07 0.00 0.00 59.36 59.47 2roh h GLU 99 Cb 0.27 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2roh h GLU 99 CO 0.01 0.49 0.30 -0.07 0.07 0.00 0.00 179.01 179.82 2roh h LEU 100 N 0.76 0.47 -0.83 3.06 -0.00 -1.84 0.24 115.31 117.16 2roh h LEU 100 Ca 0.39 0.02 -0.08 0.00 -0.00 0.00 0.00 57.88 58.21 2roh h LEU 100 Cb 0.38 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 2roh h LEU 100 CO -0.25 0.32 -0.39 -0.07 -0.00 0.00 0.00 178.44 178.05 2roh h LEU 101 N 0.59 0.00 -0.02 1.67 -0.00 -1.37 -2.23 115.31 113.95 2roh h LEU 101 Ca 0.23 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.85 2roh h LEU 101 Cb 0.09 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 40.77 2roh h LEU 101 CO -0.13 0.39 -1.05 -0.78 -0.00 0.00 0.00 178.44 176.86 2roh h ASP 102 N 0.00 0.82 -0.10 -0.43 3.58 0.27 -1.30 116.42 119.25 2roh h ASP 102 Ca -0.00 -0.67 -0.19 0.00 0.42 0.00 0.00 57.03 56.59 2roh h ASP 102 Cb 0.95 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.75 2roh h ASP 102 CO 0.05 1.47 -0.64 0.08 -2.88 0.00 0.00 179.24 177.32 2roh h ARG 103 N 0.34 0.72 -0.13 0.28 0.11 -0.52 -0.11 114.38 115.06 2roh h ARG 103 Ca -0.13 -0.51 -0.22 0.00 0.10 0.00 0.00 59.98 59.23 2roh h ARG 103 Cb 1.70 0.08 0.01 0.00 1.11 0.00 0.00 29.97 32.87 2roh h ARG 103 CO 0.20 1.13 -0.78 -0.39 0.10 0.00 0.00 179.97 180.23 2roh h VAL 104 N 0.53 1.30 -0.03 0.08 -1.51 -1.47 -1.58 116.25 113.56 2roh h VAL 104 Ca -0.01 -2.02 -0.03 0.00 -1.23 0.00 0.00 66.70 63.41 2roh h VAL 104 Cb 1.24 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 32.42 2roh h VAL 104 CO 0.13 0.63 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.95 2roh h LEU 105 N 0.49 0.12 -0.47 4.19 3.38 -1.25 -1.25 115.31 120.51 2roh h LEU 105 Ca -0.05 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 2roh h LEU 105 Cb 1.41 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 2roh h LEU 105 CO 0.16 0.70 0.25 0.00 0.09 0.00 0.00 178.44 179.63 2roh h ALA 106 N 0.43 0.60 -0.60 1.53 0.00 -1.10 -1.95 119.26 118.17 2roh h ALA 106 Ca -0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2roh h ALA 106 Cb 0.68 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2roh h ALA 106 CO 0.02 0.14 0.08 0.00 0.00 0.00 0.00 179.25 179.48 2roh h ALA 107 N 1.09 0.80 -0.05 0.00 0.00 -1.35 0.13 119.26 119.88 2roh h ALA 107 Ca 0.16 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2roh h ALA 107 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2roh h ALA 107 CO -0.03 0.57 -0.03 0.37 0.00 0.00 0.00 179.25 180.14 2roh h GLN 108 N 0.91 -0.02 -0.14 0.00 5.75 -0.98 0.16 115.11 120.79 2roh h GLN 108 Ca 0.18 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.54 2roh h GLN 108 Cb 0.45 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 2roh h GLN 108 CO 0.02 -0.02 -0.53 0.00 -2.65 0.00 0.00 178.83 175.65 2roh h ALA 109 N 1.02 0.84 -0.43 3.38 0.00 -1.29 -1.49 119.26 121.29 2roh h ALA 109 Ca 0.03 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2roh h ALA 109 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2roh h ALA 109 CO -0.06 0.68 0.04 1.88 0.00 0.00 0.00 179.25 181.79 2roh h TYR 110 N 0.30 0.80 0.00 0.00 -1.99 -0.39 -2.72 116.97 112.96 2roh h TYR 110 Ca 0.01 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.61 2roh h TYR 110 Cb 1.03 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 39.55 2roh h TYR 110 CO 0.03 0.77 0.00 -1.49 -0.00 0.00 0.00 178.16 177.47 2roh h TRP 111 N 0.59 0.00 -4.21 4.88 -0.00 -0.66 -3.46 115.95 113.09 2roh h TRP 111 Ca 0.13 0.00 -0.49 0.00 -0.00 0.00 0.00 58.89 58.53 2roh h TRP 111 Cb 0.43 0.00 0.05 0.00 -0.00 0.00 0.00 29.16 29.64 2roh h TRP 111 CO 0.03 0.00 0.38 0.45 -0.00 0.00 0.00 178.44 179.30 2roh s SER 112 N -5.75 6.05 0.41 -3.49 0.15 -0.57 -4.94 113.70 105.57 2roh s SER 112 Ca 0.06 1.71 0.14 0.00 0.70 0.00 0.00 55.95 58.56 2roh s SER 112 Cb 0.07 -2.52 1.00 0.00 -1.71 0.00 0.00 66.02 62.86 2roh s SER 112 CO 0.62 -0.98 1.90 1.62 1.20 0.00 0.00 173.24 177.60 2roh h VAL 113 N 0.49 0.79 -3.41 4.45 3.04 -1.88 -3.42 116.25 116.30 2roh h VAL 113 Ca -0.46 -0.17 -0.18 0.00 -1.01 0.00 0.00 66.70 64.88 2roh h VAL 113 Cb 1.21 0.26 -0.25 0.00 -2.01 0.00 0.00 31.29 30.50 2roh h VAL 113 CO 0.59 0.09 -0.53 -0.62 -1.01 0.00 0.00 177.57 176.08 2roh s ASP 114 N -5.86 -0.11 1.11 3.17 2.15 -1.26 -5.13 116.67 110.74 2roh s ASP 114 Ca -0.08 0.17 -0.12 0.00 0.43 0.00 0.00 52.55 52.94 2roh s ASP 114 Cb 0.21 0.28 0.25 0.00 -0.30 0.00 0.00 42.92 43.37 2roh s ASP 114 CO 0.77 -0.13 1.06 -0.94 -0.17 0.00 0.00 175.17 175.76 2roh s SER 115 N -0.30 1.38 0.05 -0.34 1.04 -1.26 -4.89 113.70 109.39 2roh s SER 115 Ca -0.04 1.71 0.00 0.00 0.48 0.00 0.00 55.95 58.10 2roh s SER 115 Cb -0.03 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2roh s SER 115 CO 0.00 -3.98 0.01 -1.54 0.98 0.00 0.00 173.24 168.72 2roh n SER 116 N -4.78 1.83 -4.69 7.02 3.41 -1.26 -5.07 113.62 110.08 2roh n SER 116 Ca 0.05 -1.19 -0.33 0.00 -0.26 0.00 0.00 58.87 57.15 2roh n SER 116 Cb 0.54 0.02 0.14 0.00 -0.26 0.00 0.00 64.21 64.65 2roh n SER 116 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2roh s GLY 117 N -1.40 2.00 0.00 5.00 0.00 -1.26 -5.00 107.32 106.66 2roh s GLY 117 Ca 0.01 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.50 2roh s GLY 117 CO 0.01 1.19 0.00 -2.13 0.00 0.00 0.00 173.10 172.17 2roh n ARG 118 N -3.65 -1.16 -3.37 2.90 0.63 -1.26 -4.94 116.66 105.81 2roh n ARG 118 Ca 0.13 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.61 2roh n ARG 118 Cb 0.51 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.36 2roh n ARG 118 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2roh s ILE 119 N -0.75 4.96 -0.51 5.15 2.07 -1.26 -5.01 121.20 125.85 2roh s ILE 119 Ca 0.00 -1.60 -0.01 0.00 -1.41 0.00 0.00 60.65 57.63 2roh s ILE 119 Cb 0.00 -4.20 0.13 0.00 0.13 0.00 0.00 42.46 38.52 2roh s ILE 119 CO 0.00 -0.85 0.30 0.68 -1.91 0.00 0.00 174.94 173.16 2roh s VAL 120 N 1.50 3.29 -0.09 4.00 -7.23 -1.26 -4.91 120.40 115.71 2roh s VAL 120 Ca 0.04 -2.62 0.14 0.00 -1.81 0.00 0.00 61.98 57.73 2roh s VAL 120 Cb -0.29 -3.22 -0.06 0.00 0.56 0.00 0.00 36.38 33.37 2roh s VAL 120 CO 0.02 -0.78 1.20 0.74 -0.31 0.00 0.00 175.10 175.97 2roh h THR 121 N 5.82 0.94 0.00 5.32 2.02 -1.94 -3.47 112.91 121.60 2roh h THR 121 Ca -0.07 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.68 2roh h THR 121 Cb 0.99 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 2roh h THR 121 CO 0.69 0.53 0.00 -0.11 0.37 0.00 0.00 175.52 177.00