#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 2.38 -4.01 1.61 2.88 -1.26 -5.11 113.62 110.12 2roh n SER 2 Ca 0.00 -3.17 -0.30 0.00 -1.33 0.00 0.00 58.87 54.07 2roh n SER 2 Cb 0.00 -0.65 0.23 0.00 -0.75 0.00 0.00 64.21 63.04 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 -2.07 -0.88 -0.07 -1.46 0.04 -1.26 -5.03 135.00 124.28 2roh s PRO 3 Ca 0.39 0.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.33 2roh s PRO 3 Cb 0.17 -1.63 -0.05 0.00 0.04 0.00 0.00 34.50 33.04 2roh s PRO 3 CO -0.06 -3.51 0.40 0.12 0.04 0.00 0.00 177.00 174.00 2roh s PHE 4 N -3.00 3.61 -0.12 0.56 5.36 -1.26 -5.06 117.98 118.07 2roh s PHE 4 Ca 0.70 0.88 -0.27 0.00 -0.96 0.00 0.00 56.93 57.27 2roh s PHE 4 Cb -0.12 -2.37 -0.02 0.00 -0.34 0.00 0.00 43.02 40.17 2roh s PHE 4 CO 0.56 0.42 0.90 0.00 -1.46 0.00 0.00 175.22 175.64 2roh s ALA 5 N -0.26 3.42 0.68 11.12 0.00 -1.26 -5.04 121.76 130.41 2roh s ALA 5 Ca 0.23 0.22 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 2roh s ALA 5 Cb -0.15 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 2roh s ALA 5 CO 0.10 -0.53 1.05 -0.51 0.00 0.00 0.00 175.76 175.87 2roh s ASP 6 N 1.08 5.63 -0.70 0.00 1.11 -1.26 -4.94 116.67 117.58 2roh s ASP 6 Ca 0.43 1.50 -0.26 0.00 0.18 0.00 0.00 52.55 54.40 2roh s ASP 6 Cb -0.18 -2.43 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 2roh s ASP 6 CO 0.16 -1.26 1.89 -2.16 1.18 0.00 0.00 175.17 174.98 2roh s PRO 7 N -5.12 2.60 -1.03 8.23 0.04 -1.26 -4.88 135.00 133.58 2roh s PRO 7 Ca 0.57 0.33 -0.01 0.00 0.04 0.00 0.00 61.00 61.93 2roh s PRO 7 Cb -0.13 -4.61 0.32 0.00 0.04 0.00 0.00 34.50 30.13 2roh s PRO 7 CO 0.54 -2.95 1.80 -1.71 0.04 0.00 0.00 177.00 174.73 2roh n ASN 8 N 13.19 7.29 -3.57 6.66 5.15 -1.26 -4.94 115.26 137.77 2roh n ASN 8 Ca 0.27 -3.67 -0.11 0.00 -0.60 0.00 0.00 54.58 50.47 2roh n ASN 8 Cb 0.50 -1.18 -0.04 0.00 -0.53 0.00 0.00 39.78 38.54 2roh n ASN 8 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2roh s SER 9 N -1.38 -0.34 0.07 1.20 0.01 -1.26 -5.18 113.70 106.82 2roh s SER 9 Ca 0.38 -0.23 -0.09 0.00 1.31 0.00 0.00 55.95 57.32 2roh s SER 9 Cb 0.18 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.93 2roh s SER 9 CO -0.11 -0.90 0.19 -0.76 0.41 0.00 0.00 173.24 172.08 2roh s LEU 10 N -2.79 1.39 -0.09 2.44 1.43 -1.26 -5.10 118.68 114.69 2roh s LEU 10 Ca 0.03 -0.56 -0.10 0.00 -1.03 0.00 0.00 54.13 52.47 2roh s LEU 10 Cb 0.01 1.03 -0.03 0.00 0.03 0.00 0.00 46.19 47.22 2roh s LEU 10 CO -0.12 -0.68 -0.19 0.00 0.23 0.00 0.00 176.35 175.60 2roh n ALA 11 N 0.16 0.50 -3.43 4.21 0.00 -1.26 -5.07 120.51 115.62 2roh n ALA 11 Ca -0.16 -0.55 0.01 0.00 0.00 0.00 0.00 53.44 52.74 2roh n ALA 11 Cb 0.61 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 20.03 2roh n ALA 11 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2roh s LEU 12 N -6.55 -0.42 -0.30 0.00 0.20 -1.26 -5.16 118.68 105.19 2roh s LEU 12 Ca -0.15 0.60 -0.14 0.00 0.69 0.00 0.00 54.13 55.13 2roh s LEU 12 Cb 0.02 1.51 0.16 0.00 -0.43 0.00 0.00 46.19 47.46 2roh s LEU 12 CO 0.23 -0.09 0.96 0.00 -0.29 0.00 0.00 176.35 177.16 2roh s ALA 13 N 2.04 -2.71 0.40 5.97 0.00 -1.26 -5.17 121.76 121.04 2roh s ALA 13 Ca -0.04 2.02 -0.09 0.00 0.00 0.00 0.00 51.96 53.86 2roh s ALA 13 Cb -0.04 -2.07 -0.06 0.00 0.00 0.00 0.00 23.12 20.95 2roh s ALA 13 CO -0.16 -1.00 0.74 1.21 0.00 0.00 0.00 175.76 176.54 2roh s ASN 14 N 2.53 6.47 0.07 0.00 2.47 -1.26 -5.05 114.94 120.16 2roh s ASN 14 Ca -0.02 1.03 -0.29 0.00 0.42 0.00 0.00 52.86 54.00 2roh s ASN 14 Cb -0.07 -2.28 -0.05 0.00 -1.45 0.00 0.00 41.25 37.40 2roh s ASN 14 CO -0.17 -0.39 0.93 -0.69 -3.72 0.00 0.00 177.10 173.05 2roh s VAL 15 N -2.38 4.65 0.82 -5.21 1.01 -1.26 -5.05 120.40 112.98 2roh s VAL 15 Ca 0.49 1.98 -0.14 0.00 0.00 0.00 0.00 61.98 64.31 2roh s VAL 15 Cb -0.10 -4.28 0.20 0.00 0.00 0.00 0.00 36.38 32.20 2roh s VAL 15 CO 0.33 0.28 0.73 -0.81 0.00 0.00 0.00 175.10 175.64 2roh n PRO 16 N 3.10 -2.45 -3.84 2.72 -0.04 -1.26 -5.04 135.00 128.18 2roh n PRO 16 Ca 0.02 -1.17 -0.30 0.00 -0.04 0.00 0.00 63.50 62.01 2roh n PRO 16 Cb 0.50 -1.10 -0.14 0.00 -0.04 0.00 0.00 33.50 32.72 2roh n PRO 16 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2roh s LEU 17 N 0.00 3.37 1.32 1.53 2.01 -1.26 -5.12 118.68 120.53 2roh s LEU 17 Ca 0.47 -2.24 -0.22 0.00 0.01 0.00 0.00 54.13 52.16 2roh s LEU 17 Cb -0.05 -1.24 0.33 0.00 0.01 0.00 0.00 46.19 45.25 2roh s LEU 17 CO 0.36 -0.34 1.04 -0.44 1.01 0.00 0.00 176.35 177.99 2roh s SER 18 N 0.81 -0.09 -0.06 2.29 0.01 -1.26 -5.00 113.70 110.40 2roh s SER 18 Ca 0.13 0.62 0.19 0.00 1.31 0.00 0.00 55.95 58.20 2roh s SER 18 Cb -0.21 -0.83 0.37 0.00 0.21 0.00 0.00 66.02 65.57 2roh s SER 18 CO -0.10 -4.74 1.16 -2.11 0.41 0.00 0.00 173.24 167.86 2roh n ARG 19 N -5.18 0.49 -3.06 12.44 0.00 -1.26 -5.09 116.66 115.01 2roh n ARG 19 Ca 0.14 -2.27 -0.23 0.00 -0.00 0.00 0.00 57.85 55.49 2roh n ARG 19 Cb 0.60 -0.57 0.01 0.00 -0.00 0.00 0.00 32.46 32.50 2roh n ARG 19 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2roh s SER 20 N -2.27 5.90 -0.27 2.89 1.04 -1.26 -5.12 113.70 114.62 2roh s SER 20 Ca 0.31 0.28 -0.21 0.00 0.48 0.00 0.00 55.95 56.81 2roh s SER 20 Cb 0.34 -1.58 0.07 0.00 0.10 0.00 0.00 66.02 64.95 2roh s SER 20 CO -0.11 -0.63 0.70 -1.59 0.98 0.00 0.00 173.24 172.58 2roh s LYS 21 N -4.50 0.78 -0.61 4.02 -2.85 -1.26 -5.10 119.74 110.22 2roh s LYS 21 Ca 0.47 1.07 0.06 0.00 -1.00 0.00 0.00 55.97 56.57 2roh s LYS 21 Cb -0.10 0.30 0.23 0.00 -2.06 0.00 0.00 37.83 36.20 2roh s LYS 21 CO 0.37 -0.12 0.64 0.54 0.10 0.00 0.00 175.35 176.89 2roh n ARG 22 N 3.32 2.03 -2.26 1.78 1.74 -1.26 -5.10 116.66 116.91 2roh n ARG 22 Ca -0.16 -4.38 -0.36 0.00 -0.77 0.00 0.00 57.85 52.18 2roh n ARG 22 Cb 0.57 -2.10 -0.00 0.00 -1.02 0.00 0.00 32.46 29.90 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 -1.96 3.54 -0.67 5.56 0.04 -1.26 -5.00 135.00 135.25 2roh s PRO 23 Ca 0.35 1.68 0.05 0.00 0.04 0.00 0.00 61.00 63.13 2roh s PRO 23 Cb 0.10 -2.18 0.27 0.00 0.04 0.00 0.00 34.50 32.73 2roh s PRO 23 CO -0.07 -0.71 0.85 -3.47 0.04 0.00 0.00 177.00 173.63 2roh n ASP 24 N -0.94 4.13 -3.56 6.66 2.03 -1.26 -5.02 116.55 118.59 2roh n ASP 24 Ca 0.10 -3.49 -0.09 0.00 0.52 0.00 0.00 54.79 51.83 2roh n ASP 24 Cb 0.50 -0.71 -0.04 0.00 -0.72 0.00 0.00 41.12 40.15 2roh n ASP 24 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2roh s PHE 25 N -2.68 -0.34 -0.58 -0.67 -0.12 -1.26 -5.12 117.98 107.20 2roh s PHE 25 Ca 0.41 0.47 -0.01 0.00 -0.05 0.00 0.00 56.93 57.75 2roh s PHE 25 Cb 0.16 0.48 0.15 0.00 -0.63 0.00 0.00 43.02 43.18 2roh s PHE 25 CO -0.02 -0.38 0.38 0.20 -0.05 0.00 0.00 175.22 175.35 2roh s GLY 26 N -1.53 2.45 -0.25 1.99 0.00 -1.26 -5.05 107.32 103.67 2roh s GLY 26 Ca 0.01 -3.20 0.00 0.00 0.00 0.00 0.00 44.72 41.53 2roh s GLY 26 CO -0.02 1.07 -0.09 1.62 0.00 0.00 0.00 173.10 175.68 2roh s GLN 27 N -0.02 2.61 -0.29 2.90 2.00 -1.26 -4.97 119.66 120.63 2roh s GLN 27 Ca 0.16 -1.11 0.07 0.00 -2.00 0.00 0.00 55.36 52.48 2roh s GLN 27 Cb -0.21 -2.91 0.61 0.00 0.80 0.00 0.00 33.01 31.29 2roh s GLN 27 CO -0.03 -0.45 1.65 0.54 -0.50 0.00 0.00 175.29 176.50 2roh n ARG 28 N 4.58 3.02 -3.48 1.67 5.12 -1.26 -4.78 116.66 121.53 2roh n ARG 28 Ca -0.16 -2.52 -0.13 0.00 -1.93 0.00 0.00 57.85 53.11 2roh n ARG 28 Cb 0.45 -2.04 -0.11 0.00 -1.16 0.00 0.00 32.46 29.61 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 -2.59 0.26 0.04 5.56 1.81 -1.26 -5.15 118.95 117.62 2roh s ARG 29 Ca 0.46 0.51 0.06 0.00 -1.72 0.00 0.00 55.73 55.04 2roh s ARG 29 Cb 0.37 -0.56 -0.03 0.00 -0.45 0.00 0.00 34.95 34.28 2roh s ARG 29 CO 0.11 -0.55 -0.15 0.42 -0.68 0.00 0.00 175.30 174.45 2roh s ILE 30 N 2.46 3.05 -0.03 1.52 1.01 -1.26 -5.02 121.20 122.93 2roh s ILE 30 Ca 0.08 -1.10 0.13 0.00 0.00 0.00 0.00 60.65 59.76 2roh s ILE 30 Cb -0.15 -2.31 -0.19 0.00 0.01 0.00 0.00 42.46 39.82 2roh s ILE 30 CO -0.13 0.33 0.25 -1.14 0.00 0.00 0.00 174.94 174.25 2roh n ARG 31 N 1.47 0.63 -2.03 2.79 0.63 -1.26 -5.01 116.66 113.89 2roh n ARG 31 Ca -0.16 -0.10 -0.30 0.00 -0.92 0.00 0.00 57.85 56.37 2roh n ARG 31 Cb 0.52 -1.31 0.01 0.00 0.45 0.00 0.00 32.46 32.14 2roh n ARG 31 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2roh s ARG 32 N -2.81 3.52 0.10 -0.14 0.52 -1.26 -5.07 118.95 113.81 2roh s ARG 32 Ca -0.05 0.61 -0.02 0.00 -0.52 0.00 0.00 55.73 55.75 2roh s ARG 32 Cb 0.08 -2.14 0.02 0.00 0.52 0.00 0.00 34.95 33.44 2roh s ARG 32 CO 0.53 -0.54 0.09 -0.35 0.02 0.00 0.00 175.30 175.05 2roh n PRO 33 N -2.67 -1.20 -4.09 3.54 -0.04 -1.26 -5.07 135.00 124.20 2roh n PRO 33 Ca 0.05 -0.14 -0.23 0.00 -0.04 0.00 0.00 63.50 63.14 2roh n PRO 33 Cb 0.55 -0.13 -0.06 0.00 -0.04 0.00 0.00 33.50 33.81 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 -1.16 2.73 0.77 0.54 0.40 -1.26 -5.03 117.98 114.97 2roh s PHE 34 Ca 0.06 -0.36 -0.15 0.00 -0.60 0.00 0.00 56.93 55.87 2roh s PHE 34 Cb -0.01 -1.62 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 2roh s PHE 34 CO 0.04 0.35 0.61 2.41 0.70 0.00 0.00 175.22 179.34 2roh n THR 35 N -1.15 1.62 -0.32 0.64 -1.04 -1.26 -4.50 114.28 108.27 2roh n THR 35 Ca -0.03 -0.34 0.07 0.00 -2.04 0.00 0.00 64.05 61.70 2roh n THR 35 Cb 0.61 -0.80 0.23 0.00 -1.82 0.00 0.00 70.33 68.55 2roh n THR 35 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 2roh h VAL 36 N -0.61 0.81 -0.14 12.58 3.04 -1.98 0.26 116.25 130.22 2roh h VAL 36 Ca -0.45 -0.26 -0.11 0.00 -1.01 0.00 0.00 66.70 64.86 2roh h VAL 36 Cb 1.33 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2roh h VAL 36 CO 0.42 0.14 -0.35 0.00 -1.01 0.00 0.00 177.57 176.77 2roh h ALA 37 N 1.54 0.23 -0.04 3.17 0.00 -1.98 -0.55 119.26 121.62 2roh h ALA 37 Ca 0.47 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2roh h ALA 37 Cb 0.59 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2roh h ALA 37 CO -0.32 0.29 0.03 0.93 0.00 0.00 0.00 179.25 180.18 2roh h GLU 38 N 0.09 0.06 -0.08 0.00 4.39 -1.68 -2.03 114.58 115.32 2roh h GLU 38 Ca -0.01 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 2roh h GLU 38 Cb 0.96 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2roh h GLU 38 CO 0.08 0.07 -0.41 0.28 -1.16 0.00 0.00 179.01 177.87 2roh h VAL 39 N 0.03 1.31 0.32 3.13 2.07 -0.59 -2.04 116.25 120.48 2roh h VAL 39 Ca 0.02 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 2roh h VAL 39 Cb 0.03 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2roh h VAL 39 CO -0.00 0.44 -0.15 -0.33 0.02 0.00 0.00 177.57 177.55 2roh h GLU 40 N 0.15 -0.42 -0.42 1.57 5.08 -0.74 -0.11 114.58 119.70 2roh h GLU 40 Ca 0.01 0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2roh h GLU 40 Cb 0.80 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 2roh h GLU 40 CO 0.06 -0.27 -0.16 -0.07 -1.00 0.00 0.00 179.01 177.57 2roh h LEU 41 N -0.44 0.78 0.21 1.33 3.38 -1.36 -1.13 115.31 118.09 2roh h LEU 41 Ca -0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2roh h LEU 41 Cb 0.34 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2roh h LEU 41 CO 0.07 0.94 -0.10 0.25 0.09 0.00 0.00 178.44 179.69 2roh h LEU 42 N 0.70 -0.24 -0.80 1.67 6.46 -1.17 0.43 115.31 122.35 2roh h LEU 42 Ca 0.11 0.01 0.12 0.00 -0.12 0.00 0.00 57.88 57.99 2roh h LEU 42 Cb 0.65 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 40.57 2roh h LEU 42 CO 0.05 -0.17 0.42 0.58 -0.62 0.00 0.00 178.44 178.70 2roh h VAL 43 N -0.30 0.81 0.00 1.05 2.07 -1.10 0.12 116.25 118.91 2roh h VAL 43 Ca -0.03 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2roh h VAL 43 Cb 0.22 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2roh h VAL 43 CO 0.05 0.12 -0.09 -0.08 0.02 0.00 0.00 177.57 177.59 2roh h GLU 44 N 0.66 0.00 0.03 1.57 4.81 -1.18 0.49 114.58 120.95 2roh h GLU 44 Ca 0.41 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.64 2roh h GLU 44 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2roh h GLU 44 CO -0.31 0.09 -0.01 0.00 -0.73 0.00 0.00 179.01 178.05 2roh h ALA 45 N 1.91 -0.04 -0.01 2.92 0.00 0.15 -2.16 119.26 122.04 2roh h ALA 45 Ca -0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 2roh h ALA 45 Cb 0.16 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2roh h ALA 45 CO 0.01 -0.15 -0.54 -0.24 0.00 0.00 0.00 179.25 178.33 2roh h VAL 46 N -0.78 1.39 -0.23 0.00 3.04 -1.06 -3.14 116.25 115.47 2roh h VAL 46 Ca -0.00 -1.86 -0.13 0.00 -1.01 0.00 0.00 66.70 63.70 2roh h VAL 46 Cb 0.69 1.99 -0.00 0.00 -2.01 0.00 0.00 31.29 31.96 2roh h VAL 46 CO 0.01 0.53 -0.35 -0.08 -1.01 0.00 0.00 177.57 176.67 2roh h GLU 47 N 0.02 0.64 -0.22 4.17 4.22 -0.10 0.41 114.58 123.72 2roh h GLU 47 Ca -0.00 -0.38 0.06 0.00 0.08 0.00 0.00 59.36 59.12 2roh h GLU 47 Cb 0.97 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2roh h GLU 47 CO 0.07 0.99 0.25 1.25 -2.18 0.00 0.00 179.01 179.39 2roh h HIS 48 N 0.34 0.00 0.00 0.92 2.76 -1.34 -0.42 115.15 117.41 2roh h HIS 48 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2roh h HIS 48 Cb 0.93 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.89 2roh h HIS 48 CO 0.08 0.00 -1.21 1.28 -1.30 0.00 0.00 177.93 176.79 2roh n LEU 49 N -3.77 0.29 0.00 0.26 4.77 -1.12 -5.08 117.00 112.35 2roh n LEU 49 Ca 0.03 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2roh n LEU 49 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2roh n LEU 49 CO 0.27 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2roh n GLY 50 N 1.53 1.19 0.00 -0.72 0.00 0.14 -4.55 105.19 102.78 2roh n GLY 50 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2roh n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2roh n THR 51 N 0.00 0.00 -0.36 2.61 -1.04 -1.25 -4.07 114.28 110.16 2roh n THR 51 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2roh n THR 51 Cb 0.00 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 2roh n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2roh n GLY 52 N 2.29 -0.20 3.32 3.41 0.00 -1.26 -4.72 105.19 108.03 2roh n GLY 52 Ca 0.00 -1.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.16 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 -6.18 -0.16 1.61 1.74 -1.26 -4.80 116.66 107.61 2roh n ARG 53 Ca 0.00 0.82 0.28 0.00 -0.77 0.00 0.00 57.85 58.17 2roh n ARG 53 Cb 0.00 -5.73 0.72 0.00 -1.02 0.00 0.00 32.46 26.44 2roh n ARG 53 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2roh h TRP 54 N -1.79 0.00 0.02 -1.55 5.08 -1.90 0.30 115.95 116.11 2roh h TRP 54 Ca -0.57 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.26 2roh h TRP 54 Cb 1.32 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.50 2roh h TRP 54 CO 0.42 0.00 -0.59 -0.09 -1.28 0.00 0.00 178.44 176.90 2roh h ARG 55 N 0.00 0.37 -0.27 0.12 2.43 -1.90 -2.13 114.38 113.00 2roh h ARG 55 Ca 0.41 -0.42 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2roh h ARG 55 Cb 1.65 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 31.29 2roh h ARG 55 CO -0.00 1.10 0.07 -0.44 -1.51 0.00 0.00 179.97 179.18 2roh h ASP 56 N -0.18 0.05 -0.02 -3.80 5.19 -1.32 -2.04 116.42 114.28 2roh h ASP 56 Ca -0.08 0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.26 2roh h ASP 56 Cb 1.32 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.86 2roh h ASP 56 CO 0.11 0.06 -0.32 1.62 -3.12 0.00 0.00 179.24 177.60 2roh h VAL 57 N 0.17 1.28 -0.66 -1.35 3.04 -1.41 0.33 116.25 117.66 2roh h VAL 57 Ca 0.12 -1.40 0.05 0.00 -1.01 0.00 0.00 66.70 64.46 2roh h VAL 57 Cb 0.11 1.45 -0.05 0.00 -2.01 0.00 0.00 31.29 30.79 2roh h VAL 57 CO -0.15 0.44 0.38 0.50 -1.01 0.00 0.00 177.57 177.73 2roh h LYS 58 N 0.42 0.69 0.09 4.17 3.64 -0.78 -0.09 116.57 124.70 2roh h LYS 58 Ca 0.05 -0.04 -0.25 0.00 -1.27 0.00 0.00 60.65 59.14 2roh h LYS 58 Cb 0.76 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2roh h LYS 58 CO 0.06 0.45 -1.27 0.35 -2.27 0.00 0.00 179.45 176.77 2roh h PHE 59 N 0.71 0.36 -1.00 1.91 3.04 -1.27 -3.27 116.94 117.42 2roh h PHE 59 Ca 0.29 -0.26 0.19 0.00 3.98 0.00 0.00 57.97 62.16 2roh h PHE 59 Cb 0.14 -0.01 -0.10 0.00 2.56 0.00 0.00 35.95 38.53 2roh h PHE 59 CO -0.07 1.50 0.61 -0.09 -2.02 0.00 0.00 178.31 178.24 2roh h ARG 60 N -0.44 0.73 0.04 1.11 9.65 -0.28 -2.98 114.38 122.20 2roh h ARG 60 Ca -0.28 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.55 2roh h ARG 60 Cb 1.64 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 30.06 2roh h ARG 60 CO 0.02 0.48 -0.02 0.00 2.80 0.00 0.00 179.97 183.26 2roh h ALA 61 N 1.63 -0.70 -0.24 2.80 0.00 -1.15 -3.48 119.26 118.13 2roh h ALA 61 Ca 0.56 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.69 2roh h ALA 61 Cb 0.89 0.02 -0.19 0.00 0.00 0.00 0.00 17.79 18.51 2roh h ALA 61 CO -0.35 -0.69 0.01 -0.06 0.00 0.00 0.00 179.25 178.16 2roh s PHE 62 N -2.49 -0.43 -0.97 0.00 0.08 -1.13 -4.92 117.98 108.12 2roh s PHE 62 Ca -0.01 0.27 0.13 0.00 0.12 0.00 0.00 56.93 57.44 2roh s PHE 62 Cb 0.00 0.08 0.56 0.00 -0.57 0.00 0.00 43.02 43.09 2roh s PHE 62 CO 0.02 -0.25 1.41 -0.85 -0.10 0.00 0.00 175.22 175.45 2roh n GLU 63 N 5.14 0.01 0.11 0.44 0.00 -1.24 -3.05 120.64 122.05 2roh n GLU 63 Ca 0.08 0.30 -0.12 0.00 0.00 0.00 0.00 57.16 57.42 2roh n GLU 63 Cb 0.57 -1.52 -0.08 0.00 0.00 0.00 0.00 31.44 30.41 2roh n GLU 63 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2roh h ASN 64 N 0.00 -0.28 -1.06 -1.84 4.21 -1.93 -3.41 115.58 111.28 2roh h ASN 64 Ca 0.00 -0.25 -0.30 0.00 1.21 0.00 0.00 56.30 56.97 2roh h ASN 64 Cb 0.22 0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.49 2roh h ASN 64 CO 0.00 0.17 1.07 1.33 -1.29 0.00 0.00 177.43 178.71 2roh n VAL 65 N -5.04 -0.05 0.06 2.81 0.24 -1.17 -4.77 118.33 110.41 2roh n VAL 65 Ca -0.09 -0.66 -0.02 0.00 -2.04 0.00 0.00 64.34 61.54 2roh n VAL 65 Cb 0.26 -2.37 0.25 0.00 -1.47 0.00 0.00 33.84 30.51 2roh n VAL 65 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 2roh h HIS 66 N 16.70 0.41 0.00 6.34 2.76 -1.88 -2.22 115.15 137.26 2roh h HIS 66 Ca -0.14 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 57.95 2roh h HIS 66 Cb 1.17 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.03 2roh h HIS 66 CO 1.05 0.60 0.00 1.12 -1.30 0.00 0.00 177.93 179.40 2roh h HIS 67 N 0.32 0.00 -3.57 5.26 2.07 -1.98 -3.40 115.15 113.86 2roh h HIS 67 Ca 0.05 0.00 -0.62 0.00 -2.85 0.00 0.00 60.37 56.95 2roh h HIS 67 Cb 0.64 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 30.47 2roh h HIS 67 CO 0.02 0.00 -0.52 1.03 -3.07 0.00 0.00 177.93 175.39 2roh s ARG 68 N -3.56 4.03 0.27 5.12 3.00 -0.84 -5.05 118.95 121.92 2roh s ARG 68 Ca -0.01 -0.29 0.10 0.00 0.00 0.00 0.00 55.73 55.54 2roh s ARG 68 Cb 0.08 -3.50 -0.04 0.00 0.00 0.00 0.00 34.95 31.48 2roh s ARG 68 CO 0.30 0.06 -0.06 0.99 0.00 0.00 0.00 175.30 176.59 2roh s THR 69 N 1.05 3.17 0.24 0.02 2.01 -1.26 -4.92 115.64 115.95 2roh s THR 69 Ca 0.07 -2.04 -0.05 0.00 0.31 0.00 0.00 61.69 59.97 2roh s THR 69 Cb -0.14 -2.69 0.23 0.00 0.01 0.00 0.00 72.50 69.92 2roh s THR 69 CO 0.04 -0.37 1.68 0.10 -0.69 0.00 0.00 174.62 175.38 2roh h TYR 70 N 2.02 0.24 -0.15 4.92 -0.00 -1.91 0.28 116.97 122.38 2roh h TYR 70 Ca -0.43 0.04 -0.08 0.00 -0.00 0.00 0.00 58.73 58.26 2roh h TYR 70 Cb 1.25 0.01 -0.01 0.00 -0.00 0.00 0.00 36.73 37.98 2roh h TYR 70 CO 0.72 -0.10 -0.26 -0.24 -0.00 0.00 0.00 178.16 178.27 2roh h VAL 71 N 0.25 1.25 -0.51 -0.90 3.04 -1.96 -2.32 116.25 115.10 2roh h VAL 71 Ca 0.41 -1.17 -0.07 0.00 -1.01 0.00 0.00 66.70 64.86 2roh h VAL 71 Cb 0.70 1.43 -0.02 0.00 -2.01 0.00 0.00 31.29 31.39 2roh h VAL 71 CO -0.52 0.36 0.05 0.44 -1.01 0.00 0.00 177.57 176.89 2roh h ASP 72 N 0.25 0.84 -0.09 3.17 3.32 -0.90 0.24 116.42 123.25 2roh h ASP 72 Ca 0.04 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 2roh h ASP 72 Cb 0.60 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 2roh h ASP 72 CO 0.04 0.91 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.39 2roh h LEU 73 N 0.75 0.17 -0.48 1.55 3.38 -0.98 0.25 115.31 119.95 2roh h LEU 73 Ca 0.15 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 2roh h LEU 73 Cb 0.45 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2roh h LEU 73 CO 0.02 0.47 0.06 0.50 0.09 0.00 0.00 178.44 179.58 2roh h LYS 74 N -0.14 0.80 -0.38 1.13 3.11 -1.39 -1.89 116.57 117.80 2roh h LYS 74 Ca 0.02 -0.23 -0.13 0.00 -2.81 0.00 0.00 60.65 57.51 2roh h LYS 74 Cb 0.40 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 2roh h LYS 74 CO 0.01 0.82 -0.27 0.22 -2.81 0.00 0.00 179.45 177.41 2roh h ASP 75 N 0.67 0.84 -0.08 4.20 1.82 -0.51 -2.16 116.42 121.20 2roh h ASP 75 Ca 0.14 -0.33 -0.00 0.00 -0.39 0.00 0.00 57.03 56.45 2roh h ASP 75 Cb 0.42 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.20 2roh h ASP 75 CO 0.01 1.06 0.04 0.11 -1.61 0.00 0.00 179.24 178.85 2roh h LYS 76 N 0.69 0.11 -0.26 0.28 1.79 -0.34 0.27 116.57 119.11 2roh h LYS 76 Ca 0.08 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2roh h LYS 76 Cb 0.81 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 2roh h LYS 76 CO 0.07 0.18 0.15 2.35 -1.08 0.00 0.00 179.45 181.11 2roh h TRP 77 N 0.01 0.35 -0.22 -1.35 7.01 -1.32 0.82 115.95 121.26 2roh h TRP 77 Ca 0.03 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 2roh h TRP 77 Cb 0.10 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 2roh h TRP 77 CO -0.04 0.28 0.09 -0.22 -2.79 0.00 0.00 178.44 175.76 2roh h LYS 78 N 0.32 0.32 0.09 2.65 1.63 -1.29 -0.62 116.57 119.67 2roh h LYS 78 Ca 0.09 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2roh h LYS 78 Cb 0.04 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 2roh h LYS 78 CO -0.02 0.38 -0.04 1.15 -3.45 0.00 0.00 179.45 177.48 2roh h THR 79 N 0.20 0.92 -0.09 1.00 2.02 -0.32 -2.00 112.91 114.63 2roh h THR 79 Ca 0.07 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 2roh h THR 79 Cb 0.18 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2roh h THR 79 CO -0.01 0.01 0.00 0.17 0.37 0.00 0.00 175.52 176.06 2roh h LEU 80 N -0.12 0.11 -0.70 2.58 8.10 -0.79 -1.87 115.31 122.62 2roh h LEU 80 Ca -0.01 -0.01 -0.11 0.00 0.11 0.00 0.00 57.88 57.86 2roh h LEU 80 Cb 0.10 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 40.27 2roh h LEU 80 CO 0.02 0.14 -0.16 1.62 -4.11 0.00 0.00 178.44 175.95 2roh h VAL 81 N 0.13 1.27 -0.28 0.15 3.04 -0.56 0.25 116.25 120.24 2roh h VAL 81 Ca 0.03 -1.27 -0.12 0.00 -1.01 0.00 0.00 66.70 64.34 2roh h VAL 81 Cb 0.09 1.10 -0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2roh h VAL 81 CO 0.00 0.43 -0.29 -0.74 -1.01 0.00 0.00 177.57 175.96 2roh h HIS 82 N 0.74 0.84 0.00 3.17 2.76 -0.65 -0.54 115.15 121.48 2roh h HIS 82 Ca 0.11 -0.26 -0.14 0.00 -2.20 0.00 0.00 60.37 57.89 2roh h HIS 82 Cb 0.67 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 2roh h HIS 82 CO 0.04 1.00 -0.65 1.15 -1.30 0.00 0.00 177.93 178.17 2roh h THR 83 N 0.44 1.32 -0.00 6.26 2.02 -1.34 -0.90 112.91 120.72 2roh h THR 83 Ca 0.04 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.89 2roh h THR 83 Cb 0.87 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 2roh h THR 83 CO 0.07 0.64 -0.30 0.00 0.37 0.00 0.00 175.52 176.30 2roh n ALA 84 N -2.35 3.06 -0.10 6.16 0.00 0.86 -3.91 120.51 124.23 2roh n ALA 84 Ca -0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 2roh n ALA 84 Cb 0.69 -1.26 -0.12 0.00 0.00 0.00 0.00 19.45 18.76 2roh n ALA 84 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2roh n SER 85 N -1.45 1.37 -3.95 0.00 3.41 -0.22 -5.01 113.62 107.78 2roh n SER 85 Ca 0.07 -0.06 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 2roh n SER 85 Cb 0.33 0.32 0.19 0.00 -0.26 0.00 0.00 64.21 64.79 2roh n SER 85 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2roh n ILE 86 N -2.91 0.00 -0.81 -1.33 -5.35 -0.36 -4.90 119.36 103.71 2roh n ILE 86 Ca -0.35 -0.20 -0.33 0.00 -0.27 0.00 0.00 62.75 61.60 2roh n ILE 86 Cb 1.01 -0.67 0.12 0.00 -1.74 0.00 0.00 39.64 38.36 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 -4.71 -2.62 0.14 -1.28 0.00 -1.26 -4.82 120.51 105.97 2roh n ALA 87 Ca 0.04 -0.60 -0.00 0.00 0.00 0.00 0.00 53.44 52.88 2roh n ALA 87 Cb 0.53 -1.79 0.25 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.52 0.06 0.00 0.00 0.13 -1.96 -2.77 132.00 125.94 2roh h PRO 88 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2roh h PRO 88 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2roh h PRO 88 CO 0.34 0.54 0.00 -0.56 -0.23 0.00 0.00 178.00 178.09 2roh h GLN 89 N 0.05 0.00 0.00 0.86 3.07 -2.01 -0.93 115.11 116.15 2roh h GLN 89 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2roh h GLN 89 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.44 2roh h GLN 89 CO 0.07 0.00 -0.03 1.04 0.09 0.00 0.00 178.83 180.00 2roh n GLN 90 N -2.75 1.22 -0.11 0.06 1.13 -1.06 -4.64 117.38 111.22 2roh n GLN 90 Ca -0.02 -2.47 0.07 0.00 -1.94 0.00 0.00 57.00 52.64 2roh n GLN 90 Cb 0.09 -1.43 0.24 0.00 0.11 0.00 0.00 30.24 29.24 2roh n GLN 90 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2roh n ARG 91 N -1.34 1.63 -0.71 -1.09 -4.01 -0.36 -4.93 116.66 105.85 2roh n ARG 91 Ca 0.15 -0.97 -0.33 0.00 -1.04 0.00 0.00 57.85 55.67 2roh n ARG 91 Cb 0.64 -1.28 0.16 0.00 -3.04 0.00 0.00 32.46 28.94 2roh n ARG 91 CO 0.00 0.00 0.00 2.89 -3.04 0.00 0.00 177.63 177.48 2roh n ARG 92 N 0.24 -1.25 -2.18 2.89 1.85 -1.26 -4.95 116.66 112.00 2roh n ARG 92 Ca 0.12 -0.34 0.00 0.00 -1.00 0.00 0.00 57.85 56.63 2roh n ARG 92 Cb 0.25 -1.74 0.00 0.00 -1.05 0.00 0.00 32.46 29.93 2roh n ARG 92 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2roh n GLY 93 N 1.90 0.09 3.79 2.89 0.00 -1.26 -5.07 105.19 107.52 2roh n GLY 93 Ca 0.02 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 2roh n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2roh s ALA 94 N -1.00 2.40 -1.17 4.61 0.00 -1.26 -4.89 121.76 120.45 2roh s ALA 94 Ca 0.00 0.22 -0.23 0.00 0.00 0.00 0.00 51.96 51.95 2roh s ALA 94 Cb 0.00 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 2roh s ALA 94 CO 0.00 -1.57 1.93 -0.35 0.00 0.00 0.00 175.76 175.77 2roh n PRO 95 N -3.35 1.60 -4.46 0.00 -0.04 -1.26 -4.91 135.00 122.58 2roh n PRO 95 Ca 0.09 -2.45 -0.30 0.00 -0.04 0.00 0.00 63.50 60.80 2roh n PRO 95 Cb 0.53 -3.69 -0.12 0.00 -0.04 0.00 0.00 33.50 30.17 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 10.77 2.64 0.29 0.52 -7.23 -1.26 -5.05 120.40 121.08 2roh s VAL 96 Ca 0.68 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 2roh s VAL 96 Cb 0.00 -2.16 -0.10 0.00 0.56 0.00 0.00 36.38 34.68 2roh s VAL 96 CO 0.14 0.17 1.24 -2.16 -0.31 0.00 0.00 175.10 174.18 2roh s PRO 97 N -1.89 4.45 0.57 4.82 0.04 -1.26 -4.90 135.00 136.84 2roh s PRO 97 Ca 0.16 2.05 0.29 0.00 0.04 0.00 0.00 61.00 63.55 2roh s PRO 97 Cb -0.10 -3.13 1.46 0.00 0.04 0.00 0.00 34.50 32.77 2roh s PRO 97 CO 0.07 -0.07 1.89 -0.56 0.04 0.00 0.00 177.00 178.38 2roh h GLN 98 N 3.85 0.00 -0.94 4.56 3.07 -2.01 0.39 115.11 124.03 2roh h GLN 98 Ca -0.47 0.00 0.24 0.00 0.09 0.00 0.00 58.65 58.51 2roh h GLN 98 Cb 1.22 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.72 2roh h GLN 98 CO 0.68 0.00 0.64 1.05 0.09 0.00 0.00 178.83 181.29 2roh h GLU 99 N 0.00 0.23 -0.26 0.06 4.11 -1.98 0.81 114.58 117.54 2roh h GLU 99 Ca 0.29 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.69 2roh h GLU 99 Cb 1.38 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 2roh h GLU 99 CO -0.00 0.15 0.10 -0.07 0.07 0.00 0.00 179.01 179.25 2roh h LEU 100 N 0.23 0.37 -0.79 3.06 3.38 -1.29 -1.69 115.31 118.59 2roh h LEU 100 Ca 0.48 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 2roh h LEU 100 Cb 1.49 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2roh h LEU 100 CO -0.13 0.45 -0.36 -0.07 0.09 0.00 0.00 178.44 178.42 2roh h LEU 101 N 0.27 0.00 -0.39 1.67 -0.00 -1.11 -2.28 115.31 113.47 2roh h LEU 101 Ca 0.09 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.81 2roh h LEU 101 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.86 2roh h LEU 101 CO -0.01 0.36 -0.38 -0.78 -0.00 0.00 0.00 178.44 177.63 2roh h ASP 102 N 0.00 1.01 0.01 -0.43 3.58 -0.62 0.01 116.42 119.98 2roh h ASP 102 Ca -0.00 -0.46 -0.20 0.00 0.42 0.00 0.00 57.03 56.78 2roh h ASP 102 Cb 0.96 -0.28 0.02 0.00 1.72 0.00 0.00 39.33 41.74 2roh h ASP 102 CO 0.05 1.27 -0.78 0.08 -2.88 0.00 0.00 179.24 176.97 2roh h ARG 103 N 0.77 0.51 -0.27 0.28 0.11 -1.26 -1.45 114.38 113.07 2roh h ARG 103 Ca 0.06 -0.56 -0.04 0.00 0.10 0.00 0.00 59.98 59.54 2roh h ARG 103 Cb 0.98 0.16 -0.01 0.00 1.11 0.00 0.00 29.97 32.21 2roh h ARG 103 CO 0.09 1.20 0.02 0.28 0.10 0.00 0.00 179.97 181.67 2roh h VAL 104 N 0.06 1.24 0.04 0.08 2.07 -1.44 -1.97 116.25 116.33 2roh h VAL 104 Ca -0.10 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 2roh h VAL 104 Cb 1.48 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2roh h VAL 104 CO 0.15 0.27 -0.02 -0.07 0.02 0.00 0.00 177.57 177.92 2roh h LEU 105 N 0.25 -0.05 -0.43 2.57 3.38 -1.09 -1.74 115.31 118.20 2roh h LEU 105 Ca 0.08 -0.35 0.09 0.00 0.09 0.00 0.00 57.88 57.79 2roh h LEU 105 Cb 0.37 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 2roh h LEU 105 CO 0.01 0.33 -0.13 0.00 0.09 0.00 0.00 178.44 178.73 2roh h ALA 106 N 0.49 0.24 -0.47 1.53 0.00 -1.29 -0.85 119.26 118.91 2roh h ALA 106 Ca -0.01 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2roh h ALA 106 Cb 0.40 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2roh h ALA 106 CO 0.01 -0.48 0.25 0.00 0.00 0.00 0.00 179.25 179.03 2roh h ALA 107 N 1.36 0.60 -0.56 0.00 0.00 -1.37 0.22 119.26 119.51 2roh h ALA 107 Ca 0.21 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2roh h ALA 107 Cb 0.35 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 2roh h ALA 107 CO -0.46 0.14 0.18 0.37 0.00 0.00 0.00 179.25 179.47 2roh h GLN 108 N 0.62 0.33 -0.03 0.00 -0.00 -0.35 0.23 115.11 115.91 2roh h GLN 108 Ca 0.16 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.76 2roh h GLN 108 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.48 2roh h GLN 108 CO -0.02 0.22 -0.12 0.00 0.00 0.00 0.00 178.83 178.91 2roh h ALA 109 N 1.40 0.05 -0.77 3.38 0.00 -0.95 -0.99 119.26 121.37 2roh h ALA 109 Ca 0.28 -0.37 0.11 0.00 0.00 0.00 0.00 54.91 54.93 2roh h ALA 109 Cb 0.35 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 2roh h ALA 109 CO -0.30 -0.04 0.38 1.88 0.00 0.00 0.00 179.25 181.17 2roh h TYR 110 N -0.47 0.68 0.00 0.00 0.05 -0.26 0.74 116.97 117.71 2roh h TYR 110 Ca -0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2roh h TYR 110 Cb 0.78 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.33 2roh h TYR 110 CO 0.15 0.21 -0.01 -1.49 -1.05 0.00 0.00 178.16 175.97 2roh h TRP 111 N 0.61 0.00 -2.15 4.88 -0.00 -0.61 -3.46 115.95 115.22 2roh h TRP 111 Ca 0.40 0.00 -0.60 0.00 -0.00 0.00 0.00 58.89 58.68 2roh h TRP 111 Cb 0.48 0.00 0.05 0.00 -0.00 0.00 0.00 29.16 29.69 2roh h TRP 111 CO -0.11 0.00 0.84 -1.13 -0.00 0.00 0.00 178.44 178.05 2roh n SER 112 N -2.91 3.04 0.00 -3.49 3.41 0.25 -4.93 113.62 108.99 2roh n SER 112 Ca 0.04 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 2roh n SER 112 Cb 0.51 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 2roh n SER 112 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2roh n VAL 113 N 3.77 0.00 -4.39 -3.33 0.31 -1.26 -4.99 118.33 108.44 2roh n VAL 113 Ca 0.19 0.45 -0.25 0.00 -0.01 0.00 0.00 64.34 64.72 2roh n VAL 113 Cb 0.28 -1.38 -0.13 0.00 -0.91 0.00 0.00 33.84 31.69 2roh n VAL 113 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2roh s ASP 114 N -3.09 2.66 -0.31 4.52 2.15 -1.26 -5.12 116.67 116.22 2roh s ASP 114 Ca 0.00 -0.66 -0.20 0.00 0.43 0.00 0.00 52.55 52.12 2roh s ASP 114 Cb 0.00 -0.17 -0.01 0.00 -0.30 0.00 0.00 42.92 42.44 2roh s ASP 114 CO 0.00 0.10 0.59 -0.94 -0.17 0.00 0.00 175.17 174.76 2roh s SER 115 N -1.76 6.44 0.12 -0.34 1.04 -1.26 -5.06 113.70 112.89 2roh s SER 115 Ca 0.08 0.32 0.08 0.00 0.48 0.00 0.00 55.95 56.91 2roh s SER 115 Cb -0.10 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.67 2roh s SER 115 CO 0.04 -0.47 -0.12 -0.44 0.98 0.00 0.00 173.24 173.23 2roh s SER 116 N 1.67 4.26 0.80 7.02 0.01 -1.26 -5.12 113.70 121.08 2roh s SER 116 Ca 0.23 -0.46 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 2roh s SER 116 Cb -0.15 -0.75 0.08 0.00 0.21 0.00 0.00 66.02 65.41 2roh s SER 116 CO 0.12 0.16 1.11 -0.83 0.41 0.00 0.00 173.24 174.22 2roh s GLY 117 N -2.31 1.75 0.57 3.44 0.00 -1.26 -5.04 107.32 104.47 2roh s GLY 117 Ca 0.21 0.41 -0.01 0.00 0.00 0.00 0.00 44.72 45.33 2roh s GLY 117 CO 0.13 0.78 0.82 -1.60 0.00 0.00 0.00 173.10 173.23 2roh s ARG 118 N -4.72 2.58 0.55 2.90 3.52 -1.26 -4.97 118.95 117.55 2roh s ARG 118 Ca 0.64 -0.57 0.28 0.00 -0.13 0.00 0.00 55.73 55.95 2roh s ARG 118 Cb -0.20 -2.42 1.61 0.00 -1.56 0.00 0.00 34.95 32.39 2roh s ARG 118 CO 0.55 -0.75 2.16 0.82 -0.81 0.00 0.00 175.30 177.27 2roh h ILE 119 N -0.04 0.59 -6.22 4.11 1.08 -2.09 -3.46 117.51 111.48 2roh h ILE 119 Ca -0.43 -0.26 -0.44 0.00 -0.39 0.00 0.00 64.86 63.34 2roh h ILE 119 Cb 1.29 1.16 0.02 0.00 -3.07 0.00 0.00 36.82 36.23 2roh h ILE 119 CO 0.55 0.06 -0.85 0.52 -0.69 0.00 0.00 178.15 177.74 2roh n VAL 120 N -3.80 -4.14 0.03 1.67 0.31 -1.26 -4.89 118.33 106.25 2roh n VAL 120 Ca -0.02 -0.53 0.01 0.00 -0.01 0.00 0.00 64.34 63.78 2roh n VAL 120 Cb 0.16 -3.48 -0.08 0.00 -0.91 0.00 0.00 33.84 29.53 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 -4.30 1.15 0.00 2.52 5.66 -1.26 -5.33 114.28 112.72 2roh n THR 121 Ca -0.29 -0.68 0.00 0.00 -3.05 0.00 0.00 64.05 60.02 2roh n THR 121 Cb 0.68 -0.71 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 2roh n THR 121 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91