#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 5.46 -0.08 1.61 0.01 -1.26 -4.98 113.70 114.46 2roh s SER 2 Ca 0.00 1.54 -0.30 0.00 1.31 0.00 0.00 55.95 58.51 2roh s SER 2 Cb 0.00 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 2roh s SER 2 CO 0.00 -1.38 1.51 -2.16 0.41 0.00 0.00 173.24 171.62 2roh s PRO 3 N -5.09 4.21 -0.14 12.44 0.04 -1.26 -4.96 135.00 140.25 2roh s PRO 3 Ca 0.58 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 63.34 2roh s PRO 3 Cb -0.13 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 2roh s PRO 3 CO 0.55 -0.77 1.56 -0.06 0.04 0.00 0.00 177.00 178.32 2roh s PHE 4 N 3.65 2.20 0.32 0.56 0.08 -1.26 -5.00 117.98 118.53 2roh s PHE 4 Ca 0.67 0.48 0.10 0.00 0.12 0.00 0.00 56.93 58.30 2roh s PHE 4 Cb -0.30 -3.86 -0.06 0.00 -0.57 0.00 0.00 43.02 38.24 2roh s PHE 4 CO 0.25 -3.09 -0.13 0.00 -0.10 0.00 0.00 175.22 172.15 2roh s ALA 5 N 4.35 2.90 0.37 5.36 0.00 -1.26 -5.15 121.76 128.33 2roh s ALA 5 Ca 0.69 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 50.64 2roh s ALA 5 Cb -0.28 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2roh s ALA 5 CO 0.26 0.15 0.57 -0.51 0.00 0.00 0.00 175.76 176.24 2roh s ASP 6 N -3.58 6.24 -0.16 0.00 1.01 -1.26 -5.04 116.67 113.88 2roh s ASP 6 Ca 0.32 0.45 -0.29 0.00 0.71 0.00 0.00 52.55 53.73 2roh s ASP 6 Cb -0.00 -1.98 -0.03 0.00 1.01 0.00 0.00 42.92 41.91 2roh s ASP 6 CO 0.16 -0.36 1.57 -2.16 0.21 0.00 0.00 175.17 174.59 2roh s PRO 7 N -4.36 4.00 0.73 8.23 0.04 -1.26 -5.00 135.00 137.37 2roh s PRO 7 Ca 0.41 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 2roh s PRO 7 Cb -0.10 -3.97 0.03 0.00 0.04 0.00 0.00 34.50 30.50 2roh s PRO 7 CO 0.37 -1.04 1.08 0.54 0.04 0.00 0.00 177.00 177.99 2roh s ASN 8 N 3.54 5.12 -0.30 6.66 4.22 -1.26 -5.08 114.94 127.85 2roh s ASN 8 Ca 0.69 1.36 -0.09 0.00 -2.14 0.00 0.00 52.86 52.69 2roh s ASN 8 Cb -0.27 -2.18 0.18 0.00 1.28 0.00 0.00 41.25 40.26 2roh s ASN 8 CO 0.27 -1.57 0.88 -0.55 -2.04 0.00 0.00 177.10 174.09 2roh s SER 9 N -4.01 -0.80 0.11 3.54 0.15 -1.26 -5.17 113.70 106.26 2roh s SER 9 Ca 0.59 0.50 0.09 0.00 0.70 0.00 0.00 55.95 57.83 2roh s SER 9 Cb -0.13 1.68 -0.04 0.00 -1.71 0.00 0.00 66.02 65.82 2roh s SER 9 CO 0.54 -0.15 -0.21 -0.22 1.20 0.00 0.00 173.24 174.39 2roh s LEU 10 N 2.92 2.32 -0.34 3.45 2.96 -1.26 -5.11 118.68 123.62 2roh s LEU 10 Ca 0.07 -0.72 -0.24 0.00 -0.22 0.00 0.00 54.13 53.02 2roh s LEU 10 Cb -0.12 -0.93 0.01 0.00 0.50 0.00 0.00 46.19 45.65 2roh s LEU 10 CO -0.15 0.06 0.83 0.00 -1.32 0.00 0.00 176.35 175.77 2roh s ALA 11 N -1.26 3.47 -0.13 5.97 0.00 -1.26 -5.03 121.76 123.52 2roh s ALA 11 Ca 0.09 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.59 2roh s ALA 11 Cb -0.09 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.65 2roh s ALA 11 CO 0.05 -1.38 -0.22 -0.51 0.00 0.00 0.00 175.76 173.69 2roh s LEU 12 N 3.13 2.08 -0.61 0.00 1.43 -1.26 -5.08 118.68 118.37 2roh s LEU 12 Ca 0.34 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 2roh s LEU 12 Cb -0.13 -1.41 0.16 0.00 0.03 0.00 0.00 46.19 44.84 2roh s LEU 12 CO 0.15 0.10 0.41 0.00 0.23 0.00 0.00 176.35 177.24 2roh s ALA 13 N 0.71 3.54 0.24 4.21 0.00 -1.26 -5.07 121.76 124.13 2roh s ALA 13 Ca -0.10 -3.29 0.12 0.00 0.00 0.00 0.00 51.96 48.68 2roh s ALA 13 Cb -0.16 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 2roh s ALA 13 CO 0.01 -2.10 -0.21 -0.80 0.00 0.00 0.00 175.76 172.66 2roh s ASN 14 N 0.43 3.46 0.18 0.00 -0.87 -1.26 -5.15 114.94 111.73 2roh s ASN 14 Ca 0.17 -0.97 0.08 0.00 -1.57 0.00 0.00 52.86 50.57 2roh s ASN 14 Cb -0.21 -0.27 -0.04 0.00 -0.02 0.00 0.00 41.25 40.70 2roh s ASN 14 CO -0.03 0.06 -0.01 0.68 -2.57 0.00 0.00 177.10 175.23 2roh s VAL 15 N -2.21 3.66 -0.95 1.60 -7.23 -1.26 -5.04 120.40 108.97 2roh s VAL 15 Ca 0.26 -1.46 -0.24 0.00 -1.81 0.00 0.00 61.98 58.72 2roh s VAL 15 Cb -0.06 -2.84 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 2roh s VAL 15 CO 0.13 -0.12 1.94 -2.16 -0.31 0.00 0.00 175.10 174.58 2roh s PRO 16 N -2.96 2.55 -0.25 4.82 0.04 -1.26 -4.87 135.00 133.07 2roh s PRO 16 Ca 0.27 -0.44 -0.03 0.00 0.04 0.00 0.00 61.00 60.84 2roh s PRO 16 Cb -0.09 -5.09 0.10 0.00 0.04 0.00 0.00 34.50 29.46 2roh s PRO 16 CO 0.18 -3.48 0.21 -0.51 0.04 0.00 0.00 177.00 173.44 2roh s LEU 17 N 10.23 0.06 -0.05 -3.56 1.02 -1.26 -4.97 118.68 120.14 2roh s LEU 17 Ca 0.70 -0.69 0.08 0.00 0.02 0.00 0.00 54.13 54.23 2roh s LEU 17 Cb -0.06 0.17 0.12 0.00 0.02 0.00 0.00 46.19 46.45 2roh s LEU 17 CO 0.02 -0.38 1.00 -1.20 0.02 0.00 0.00 176.35 175.81 2roh n SER 18 N 5.30 1.35 -4.49 2.29 7.64 -1.26 -5.00 113.62 119.44 2roh n SER 18 Ca -0.05 -2.32 -0.43 0.00 1.01 0.00 0.00 58.87 57.08 2roh n SER 18 Cb 0.47 -0.23 -0.05 0.00 -1.01 0.00 0.00 64.21 63.39 2roh n SER 18 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2roh s ARG 19 N -1.37 3.25 -0.14 1.43 3.00 -1.26 -4.85 118.95 119.01 2roh s ARG 19 Ca 0.13 -0.50 -0.11 0.00 -1.00 0.00 0.00 55.73 54.25 2roh s ARG 19 Cb 0.11 -4.09 -0.06 0.00 0.00 0.00 0.00 34.95 30.91 2roh s ARG 19 CO 0.01 -1.49 -0.24 0.45 0.00 0.00 0.00 175.30 174.03 2roh n SER 20 N 7.22 1.53 -3.39 -2.12 2.88 -1.26 -5.01 113.62 113.47 2roh n SER 20 Ca -0.01 0.25 -0.09 0.00 -1.33 0.00 0.00 58.87 57.69 2roh n SER 20 Cb 0.47 -0.59 -0.08 0.00 -0.75 0.00 0.00 64.21 63.25 2roh n SER 20 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2roh s LYS 21 N -2.50 0.34 0.69 -1.46 -2.85 -1.26 -5.15 119.74 107.55 2roh s LYS 21 Ca -0.23 0.60 -0.16 0.00 -1.00 0.00 0.00 55.97 55.18 2roh s LYS 21 Cb 0.06 -0.37 0.02 0.00 -2.06 0.00 0.00 37.83 35.47 2roh s LYS 21 CO 0.31 -0.59 1.18 -0.98 0.10 0.00 0.00 175.35 175.37 2roh s ARG 22 N 2.55 2.47 -0.16 1.78 1.04 -1.26 -4.93 118.95 120.44 2roh s ARG 22 Ca 0.11 1.66 -0.29 0.00 -1.04 0.00 0.00 55.73 56.17 2roh s ARG 22 Cb -0.15 -1.88 -0.03 0.00 -2.04 0.00 0.00 34.95 30.84 2roh s ARG 22 CO -0.15 -1.56 1.57 -1.25 -0.04 0.00 0.00 175.30 173.86 2roh s PRO 23 N -3.87 4.00 -0.37 3.89 0.04 -1.26 -4.98 135.00 132.46 2roh s PRO 23 Ca 0.73 1.83 -0.25 0.00 0.04 0.00 0.00 61.00 63.34 2roh s PRO 23 Cb -0.27 -3.97 0.01 0.00 0.04 0.00 0.00 34.50 30.32 2roh s PRO 23 CO 0.42 -1.04 0.91 0.34 0.04 0.00 0.00 177.00 177.66 2roh s ASP 24 N 3.54 6.67 0.25 6.66 -1.08 -1.26 -5.00 116.67 126.44 2roh s ASP 24 Ca 0.69 0.56 -0.31 0.00 -0.52 0.00 0.00 52.55 52.97 2roh s ASP 24 Cb -0.27 -2.46 -0.14 0.00 -1.46 0.00 0.00 42.92 38.60 2roh s ASP 24 CO 0.27 -0.84 1.31 2.22 0.52 0.00 0.00 175.17 178.65 2roh n PHE 25 N 6.72 1.96 0.00 -5.34 1.16 -1.26 -4.95 117.46 115.75 2roh n PHE 25 Ca 0.07 0.52 0.00 0.00 -1.87 0.00 0.00 57.45 56.16 2roh n PHE 25 Cb 0.48 -2.40 0.00 0.00 -1.61 0.00 0.00 39.48 35.95 2roh n PHE 25 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2roh n GLY 26 N 1.82 0.53 2.72 4.97 0.00 -1.26 -5.16 105.19 108.80 2roh n GLY 26 Ca 0.11 0.64 -0.20 0.00 0.00 0.00 0.00 46.02 46.57 2roh n GLY 26 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2roh s GLN 27 N 0.00 0.12 -1.33 1.61 2.00 -1.26 -5.05 119.66 115.75 2roh s GLN 27 Ca 0.00 0.26 -0.06 0.00 -2.00 0.00 0.00 55.36 53.57 2roh s GLN 27 Cb 0.00 -0.58 0.11 0.00 0.80 0.00 0.00 33.01 33.35 2roh s GLN 27 CO 0.00 -0.28 2.41 -2.13 -0.50 0.00 0.00 175.29 174.79 2roh n ARG 28 N 4.99 4.56 -1.59 1.67 0.63 -1.26 -4.98 116.66 120.68 2roh n ARG 28 Ca -0.10 -3.41 -0.32 0.00 -0.92 0.00 0.00 57.85 53.09 2roh n ARG 28 Cb 0.50 -2.63 0.06 0.00 0.45 0.00 0.00 32.46 30.84 2roh n ARG 28 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2roh s ARG 29 N -1.06 2.62 -0.21 -0.14 3.52 -1.26 -5.03 118.95 117.39 2roh s ARG 29 Ca 0.55 1.32 -0.06 0.00 -0.13 0.00 0.00 55.73 57.40 2roh s ARG 29 Cb 0.19 -1.93 -0.03 0.00 -1.56 0.00 0.00 34.95 31.62 2roh s ARG 29 CO -0.10 -1.38 0.03 0.42 -0.81 0.00 0.00 175.30 173.46 2roh s ILE 30 N -2.52 4.20 -0.09 4.11 -1.09 -1.26 -5.09 121.20 119.45 2roh s ILE 30 Ca 0.65 -0.22 -0.14 0.00 -2.23 0.00 0.00 60.65 58.70 2roh s ILE 30 Cb -0.19 -2.92 -0.05 0.00 -1.58 0.00 0.00 42.46 37.72 2roh s ILE 30 CO 0.46 0.40 0.36 -0.60 -1.23 0.00 0.00 174.94 174.34 2roh s ARG 31 N 1.10 4.07 0.79 2.79 6.06 -1.26 -5.08 118.95 127.43 2roh s ARG 31 Ca 0.03 0.27 -0.11 0.00 -2.50 0.00 0.00 55.73 53.42 2roh s ARG 31 Cb -0.14 -3.33 0.07 0.00 0.06 0.00 0.00 34.95 31.61 2roh s ARG 31 CO 0.02 0.44 1.10 1.03 -2.50 0.00 0.00 175.30 175.39 2roh s ARG 32 N -0.22 2.10 0.01 5.12 0.52 -1.26 -4.96 118.95 120.26 2roh s ARG 32 Ca 0.21 1.18 -0.30 0.00 -0.52 0.00 0.00 55.73 56.30 2roh s ARG 32 Cb -0.15 -1.88 -0.06 0.00 0.52 0.00 0.00 34.95 33.39 2roh s ARG 32 CO 0.09 -1.76 1.44 -1.25 0.02 0.00 0.00 175.30 173.84 2roh s PRO 33 N -4.89 4.27 0.33 3.54 0.04 -1.26 -5.03 135.00 132.01 2roh s PRO 33 Ca 0.62 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.77 2roh s PRO 33 Cb -0.18 -3.58 -0.05 0.00 0.04 0.00 0.00 34.50 30.73 2roh s PRO 33 CO 0.56 -0.60 -0.03 -0.59 0.04 0.00 0.00 177.00 176.38 2roh s PHE 34 N 2.44 2.51 0.11 0.56 -0.12 -1.26 -5.14 117.98 117.07 2roh s PHE 34 Ca 0.65 -0.42 0.01 0.00 -0.05 0.00 0.00 56.93 57.11 2roh s PHE 34 Cb -0.33 -1.40 -0.04 0.00 -0.63 0.00 0.00 43.02 40.62 2roh s PHE 34 CO 0.27 0.53 0.26 0.99 -0.05 0.00 0.00 175.22 177.23 2roh s THR 35 N -2.52 5.34 0.28 -4.49 2.01 -1.26 -4.95 115.64 110.05 2roh s THR 35 Ca 0.34 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.89 2roh s THR 35 Cb -0.00 -3.68 0.27 0.00 0.01 0.00 0.00 72.50 69.10 2roh s THR 35 CO 0.18 0.02 1.76 1.62 -0.69 0.00 0.00 174.62 177.51 2roh h VAL 36 N 1.86 0.67 -0.06 3.82 3.04 -1.98 0.25 116.25 123.85 2roh h VAL 36 Ca -0.47 -0.22 -0.02 0.00 -1.01 0.00 0.00 66.70 64.98 2roh h VAL 36 Cb 1.18 -0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.43 2roh h VAL 36 CO 0.72 0.12 -0.05 0.00 -1.01 0.00 0.00 177.57 177.35 2roh h ALA 37 N 1.62 0.08 -0.88 3.17 0.00 -1.98 -0.56 119.26 120.71 2roh h ALA 37 Ca 0.53 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.20 2roh h ALA 37 Cb 0.83 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2roh h ALA 37 CO -0.40 -0.13 0.58 0.93 0.00 0.00 0.00 179.25 180.23 2roh h GLU 38 N -0.30 1.09 -0.01 0.00 5.08 -1.70 0.25 114.58 118.99 2roh h GLU 38 Ca 0.01 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 2roh h GLU 38 Cb 0.55 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2roh h GLU 38 CO 0.01 0.72 -0.77 0.28 -1.00 0.00 0.00 179.01 178.25 2roh h VAL 39 N 1.12 1.49 -0.07 3.13 2.07 -0.53 -1.28 116.25 122.18 2roh h VAL 39 Ca 0.34 -2.46 -0.04 0.00 0.82 0.00 0.00 66.70 65.36 2roh h VAL 39 Cb -0.01 2.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2roh h VAL 39 CO -0.10 0.71 -0.10 -0.08 0.02 0.00 0.00 177.57 178.02 2roh h GLU 40 N 0.08 0.19 -0.18 1.57 4.81 -0.23 -1.87 114.58 118.95 2roh h GLU 40 Ca -0.02 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 2roh h GLU 40 Cb 1.35 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.74 2roh h GLU 40 CO 0.11 0.67 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.84 2roh h LEU 41 N -0.27 0.45 -0.01 1.64 3.38 -1.04 -1.95 115.31 117.52 2roh h LEU 41 Ca 0.01 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.54 2roh h LEU 41 Cb 0.65 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2roh h LEU 41 CO 0.02 0.82 -0.11 0.25 0.09 0.00 0.00 178.44 179.52 2roh h LEU 42 N 0.09 -0.31 0.03 1.67 6.46 -1.31 0.57 115.31 122.51 2roh h LEU 42 Ca 0.03 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 2roh h LEU 42 Cb 0.68 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 2roh h LEU 42 CO 0.04 -0.15 -0.05 0.58 -0.62 0.00 0.00 178.44 178.24 2roh h VAL 43 N -0.18 0.88 0.00 1.05 2.07 -1.37 -1.45 116.25 117.24 2roh h VAL 43 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 2roh h VAL 43 Cb 0.23 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2roh h VAL 43 CO -0.11 0.00 -0.01 -0.08 0.02 0.00 0.00 177.57 177.39 2roh h GLU 44 N -0.10 0.00 -0.02 1.57 4.81 -1.14 0.34 114.58 120.04 2roh h GLU 44 Ca 0.01 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2roh h GLU 44 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2roh h GLU 44 CO -0.03 0.01 -0.21 0.00 -0.73 0.00 0.00 179.01 178.04 2roh h ALA 45 N 1.99 0.05 -0.01 2.92 0.00 0.08 -2.12 119.26 122.17 2roh h ALA 45 Ca -0.00 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 2roh h ALA 45 Cb 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2roh h ALA 45 CO 0.00 0.06 -0.83 -0.24 0.00 0.00 0.00 179.25 178.24 2roh h VAL 46 N -0.46 1.48 -0.02 0.00 3.04 -0.77 -3.05 116.25 116.46 2roh h VAL 46 Ca -0.02 -2.51 -0.12 0.00 -1.01 0.00 0.00 66.70 63.04 2roh h VAL 46 Cb 0.93 2.38 -0.02 0.00 -2.01 0.00 0.00 31.29 32.58 2roh h VAL 46 CO 0.04 0.73 -0.56 1.05 -1.01 0.00 0.00 177.57 177.82 2roh h GLU 47 N 0.12 0.07 -0.25 4.17 4.11 -0.43 0.29 114.58 122.65 2roh h GLU 47 Ca -0.04 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 59.19 2roh h GLU 47 Cb 1.44 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.69 2roh h GLU 47 CO 0.13 0.61 -0.51 1.25 0.07 0.00 0.00 179.01 180.56 2roh h HIS 48 N 0.05 0.88 -0.41 2.06 2.76 -1.35 -3.06 115.15 116.08 2roh h HIS 48 Ca -0.00 -0.30 0.00 0.00 -2.20 0.00 0.00 60.37 57.87 2roh h HIS 48 Cb 1.01 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.80 2roh h HIS 48 CO 0.01 1.07 0.00 1.28 -1.30 0.00 0.00 177.93 178.98 2roh n LEU 49 N -4.00 3.50 0.00 0.26 4.77 -1.16 -5.06 117.00 115.32 2roh n LEU 49 Ca -0.03 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 2roh n LEU 49 Cb 0.59 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2roh n LEU 49 CO 0.48 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 2roh n GLY 50 N 1.50 1.08 2.97 -0.72 0.00 0.10 -3.32 105.19 106.81 2roh n GLY 50 Ca 0.20 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 4.44 0.00 2.61 -2.24 -1.26 -4.69 114.28 113.13 2roh n THR 51 Ca 0.00 -4.62 0.00 0.00 -2.27 0.00 0.00 64.05 57.16 2roh n THR 51 Cb 0.00 -2.35 0.00 0.00 -2.10 0.00 0.00 70.33 65.88 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 2.84 2.35 3.69 3.38 0.00 -1.21 -5.09 105.19 111.15 2roh n GLY 52 Ca 0.38 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2roh n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2roh s ARG 53 N 2.33 4.41 0.03 1.61 1.81 -1.26 -4.96 118.95 122.92 2roh s ARG 53 Ca 0.00 1.19 -0.20 0.00 -1.72 0.00 0.00 55.73 54.99 2roh s ARG 53 Cb 0.00 -3.52 -0.16 0.00 -0.45 0.00 0.00 34.95 30.82 2roh s ARG 53 CO 0.00 -0.20 1.28 -1.49 -0.68 0.00 0.00 175.30 174.21 2roh h TRP 54 N 7.06 0.46 -0.39 -0.53 6.55 -1.95 -3.06 115.95 124.09 2roh h TRP 54 Ca -0.34 -0.16 0.11 0.00 0.95 0.00 0.00 58.89 59.45 2roh h TRP 54 Cb 1.16 -0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 29.36 2roh h TRP 54 CO 0.70 0.84 0.32 0.07 -1.05 0.00 0.00 178.44 179.31 2roh h ARG 55 N -0.05 0.00 -0.56 0.49 0.11 -1.93 -0.06 114.38 112.38 2roh h ARG 55 Ca 0.01 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 2roh h ARG 55 Cb 0.80 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.86 2roh h ARG 55 CO 0.05 0.00 -0.06 -0.44 0.10 0.00 0.00 179.97 179.62 2roh h ASP 56 N 0.00 1.02 0.82 0.08 5.19 -1.94 -2.09 116.42 119.49 2roh h ASP 56 Ca 0.19 -0.33 -0.10 0.00 -0.62 0.00 0.00 57.03 56.16 2roh h ASP 56 Cb 0.83 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 2roh h ASP 56 CO -0.00 1.11 -0.48 -0.37 -3.12 0.00 0.00 179.24 176.37 2roh h VAL 57 N 0.91 1.09 -0.17 -1.35 -1.51 -1.06 0.67 116.25 114.83 2roh h VAL 57 Ca 0.15 -1.83 -0.12 0.00 -1.23 0.00 0.00 66.70 63.67 2roh h VAL 57 Cb 0.62 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 2roh h VAL 57 CO 0.04 0.47 -0.36 0.50 -1.23 0.00 0.00 177.57 177.00 2roh h LYS 58 N 0.00 0.55 0.09 5.19 3.64 -1.16 -2.91 116.57 121.97 2roh h LYS 58 Ca -0.00 -0.36 -0.14 0.00 -1.27 0.00 0.00 60.65 58.87 2roh h LYS 58 Cb 1.02 0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.91 2roh h LYS 58 CO 0.06 0.97 -0.62 0.74 -2.27 0.00 0.00 179.45 178.34 2roh h PHE 59 N 0.19 0.44 -0.57 1.91 -1.00 -1.37 -1.41 116.94 115.14 2roh h PHE 59 Ca 0.00 -0.31 0.17 0.00 2.81 0.00 0.00 57.97 60.64 2roh h PHE 59 Cb 0.96 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.47 2roh h PHE 59 CO 0.10 1.21 0.50 -0.09 -1.61 0.00 0.00 178.31 178.42 2roh h ARG 60 N -0.45 0.00 0.00 1.51 9.65 -0.97 -3.29 114.38 120.84 2roh h ARG 60 Ca -0.10 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 2roh h ARG 60 Cb 1.45 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.03 2roh h ARG 60 CO 0.12 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.89 2roh n ALA 61 N -2.50 0.00 -3.15 2.80 0.00 -1.10 -4.94 120.51 111.63 2roh n ALA 61 Ca 0.11 -0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.51 2roh n ALA 61 Cb 0.72 0.00 -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 -0.06 0.00 0.00 0.00 177.50 177.44 2roh s PHE 62 N -0.36 -1.63 -2.05 0.00 0.08 -0.56 -5.00 117.98 108.45 2roh s PHE 62 Ca 0.00 1.29 0.31 0.00 0.12 0.00 0.00 56.93 58.64 2roh s PHE 62 Cb 0.00 0.41 1.77 0.00 -0.57 0.00 0.00 43.02 44.63 2roh s PHE 62 CO 0.00 -0.93 2.15 -0.85 -0.10 0.00 0.00 175.22 175.49 2roh n GLU 63 N 5.41 1.07 -1.60 0.44 0.28 -1.01 -3.49 120.64 121.75 2roh n GLU 63 Ca 0.02 -0.11 -0.25 0.00 -0.16 0.00 0.00 57.16 56.67 2roh n GLU 63 Cb 0.53 -1.49 0.07 0.00 1.43 0.00 0.00 31.44 31.98 2roh n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2roh n ASN 64 N -0.86 5.47 -4.25 -1.84 5.15 -1.26 -4.85 115.26 112.81 2roh n ASN 64 Ca 0.23 -3.77 -0.16 0.00 -0.60 0.00 0.00 54.58 50.28 2roh n ASN 64 Cb 0.13 -0.60 0.07 0.00 -0.53 0.00 0.00 39.78 38.85 2roh n ASN 64 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 2roh n VAL 65 N -0.85 0.00 0.00 3.44 0.24 -1.23 -5.03 118.33 114.91 2roh n VAL 65 Ca 0.49 -1.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.33 2roh n VAL 65 Cb 0.88 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 2roh n VAL 65 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2roh n HIS 66 N -2.16 0.00 -0.36 6.34 8.25 -1.26 -3.57 115.22 122.46 2roh n HIS 66 Ca 0.13 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.57 2roh n HIS 66 Cb 0.48 -0.14 0.12 0.00 1.12 0.00 0.00 29.99 31.56 2roh n HIS 66 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2roh h HIS 67 N 0.00 1.24 -7.12 4.41 3.86 -1.98 -3.45 115.15 112.11 2roh h HIS 67 Ca 0.00 0.02 -0.62 0.00 -1.16 0.00 0.00 60.37 58.62 2roh h HIS 67 Cb 0.00 -0.42 -0.35 0.00 1.06 0.00 0.00 27.41 27.70 2roh h HIS 67 CO 0.03 0.79 -0.90 2.89 0.86 0.00 0.00 177.93 181.60 2roh n ARG 68 N -4.38 -0.76 -4.51 2.45 1.85 -1.23 -4.90 116.66 105.18 2roh n ARG 68 Ca 0.11 0.13 -0.32 0.00 -1.00 0.00 0.00 57.85 56.77 2roh n ARG 68 Cb 0.02 -4.43 -0.16 0.00 -1.05 0.00 0.00 32.46 26.83 2roh n ARG 68 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2roh s THR 69 N -3.41 1.96 0.25 8.89 -4.23 -1.26 -4.99 115.64 112.85 2roh s THR 69 Ca 0.68 -0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 60.24 2roh s THR 69 Cb -0.40 -1.75 0.25 0.00 1.34 0.00 0.00 72.50 71.95 2roh s THR 69 CO 1.01 0.53 1.67 0.10 -0.54 0.00 0.00 174.62 177.39 2roh h TYR 70 N 7.48 0.26 -0.26 3.99 -0.00 -1.90 0.27 116.97 126.80 2roh h TYR 70 Ca -0.35 0.05 -0.09 0.00 -0.00 0.00 0.00 58.73 58.34 2roh h TYR 70 Cb 1.18 0.01 -0.01 0.00 -0.00 0.00 0.00 36.73 37.90 2roh h TYR 70 CO 0.47 -0.12 -0.22 -0.24 -0.00 0.00 0.00 178.16 178.04 2roh h VAL 71 N 0.24 1.26 -0.77 -0.90 3.04 -1.95 -2.48 116.25 114.69 2roh h VAL 71 Ca 0.44 -1.21 -0.00 0.00 -1.01 0.00 0.00 66.70 64.91 2roh h VAL 71 Cb 0.78 1.30 -0.04 0.00 -2.01 0.00 0.00 31.29 31.33 2roh h VAL 71 CO -0.55 0.39 0.46 -0.78 -1.01 0.00 0.00 177.57 176.08 2roh h ASP 72 N 0.44 0.92 0.23 3.17 3.58 -0.90 0.40 116.42 124.25 2roh h ASP 72 Ca 0.07 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2roh h ASP 72 Cb 0.63 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2roh h ASP 72 CO 0.05 0.72 -0.11 -0.07 -2.88 0.00 0.00 179.24 176.94 2roh h LEU 73 N 1.05 -0.26 -0.35 2.28 4.07 -1.12 0.95 115.31 121.93 2roh h LEU 73 Ca 0.28 -0.25 0.06 0.00 0.08 0.00 0.00 57.88 58.05 2roh h LEU 73 Cb -0.04 0.07 -0.05 0.00 1.08 0.00 0.00 40.66 41.72 2roh h LEU 73 CO -0.05 0.15 0.03 0.50 -1.08 0.00 0.00 178.44 177.98 2roh h LYS 74 N -0.71 0.13 -0.51 1.13 3.64 -1.37 -0.76 116.57 118.11 2roh h LYS 74 Ca -0.03 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 2roh h LYS 74 Cb 0.49 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2roh h LYS 74 CO 0.05 0.08 -0.05 0.22 -2.27 0.00 0.00 179.45 177.49 2roh h ASP 75 N 0.13 0.87 -0.96 4.20 3.58 -0.96 -2.22 116.42 121.06 2roh h ASP 75 Ca 0.17 -0.24 0.02 0.00 0.42 0.00 0.00 57.03 57.40 2roh h ASP 75 Cb 0.22 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 40.99 2roh h ASP 75 CO -0.26 0.95 0.63 0.11 -2.88 0.00 0.00 179.24 177.79 2roh h LYS 76 N 0.81 1.24 0.07 0.28 1.57 0.04 -1.11 116.57 119.47 2roh h LYS 76 Ca 0.14 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2roh h LYS 76 Cb 0.55 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2roh h LYS 76 CO 0.03 0.82 -0.04 2.35 -0.57 0.00 0.00 179.45 182.04 2roh h TRP 77 N 1.27 -0.09 -0.54 -1.35 7.01 -0.95 -1.89 115.95 119.41 2roh h TRP 77 Ca 0.36 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.46 2roh h TRP 77 Cb -0.10 0.03 -0.08 0.00 -2.10 0.00 0.00 29.16 26.91 2roh h TRP 77 CO -0.00 0.34 0.10 -0.22 -2.79 0.00 0.00 178.44 175.86 2roh h LYS 78 N -0.56 0.22 0.25 2.65 1.63 -1.23 0.12 116.57 119.66 2roh h LYS 78 Ca -0.01 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 2roh h LYS 78 Cb 0.47 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 2roh h LYS 78 CO 0.02 0.15 -0.12 1.15 -3.45 0.00 0.00 179.45 177.19 2roh h THR 79 N 0.23 0.78 -0.42 1.00 2.02 -1.23 -2.18 112.91 113.11 2roh h THR 79 Ca 0.28 -0.20 0.09 0.00 0.77 0.00 0.00 66.41 67.35 2roh h THR 79 Cb 0.39 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2roh h THR 79 CO -0.37 0.04 0.29 0.17 0.37 0.00 0.00 175.52 176.02 2roh h LEU 80 N -0.44 0.15 -0.12 2.58 8.10 -0.85 -1.80 115.31 122.92 2roh h LEU 80 Ca -0.03 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.93 2roh h LEU 80 Cb 0.33 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.52 2roh h LEU 80 CO 0.06 0.09 -0.02 0.58 -4.11 0.00 0.00 178.44 175.04 2roh h VAL 81 N 0.16 1.28 -0.78 0.15 2.07 -0.39 -1.17 116.25 117.58 2roh h VAL 81 Ca 0.19 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2roh h VAL 81 Cb 0.56 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 2roh h VAL 81 CO -0.03 0.27 0.49 -0.74 0.02 0.00 0.00 177.57 177.58 2roh h HIS 82 N -0.07 1.00 -0.00 1.57 -0.00 -0.73 -0.57 115.15 116.34 2roh h HIS 82 Ca 0.03 0.01 -0.13 0.00 -0.00 0.00 0.00 60.37 60.28 2roh h HIS 82 Cb 0.42 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 2roh h HIS 82 CO 0.05 0.65 -0.62 1.15 -0.00 0.00 0.00 177.93 179.15 2roh h THR 83 N 1.06 1.44 -0.00 6.26 2.02 -1.31 -0.09 112.91 122.29 2roh h THR 83 Ca 0.28 -2.11 0.00 0.00 0.77 0.00 0.00 66.41 65.35 2roh h THR 83 Cb -0.08 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2roh h THR 83 CO -0.06 0.61 -0.18 0.00 0.37 0.00 0.00 175.52 176.26 2roh n ALA 84 N -2.43 2.78 -0.10 6.16 0.00 -0.45 -3.84 120.51 122.63 2roh n ALA 84 Ca -0.01 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 2roh n ALA 84 Cb 0.62 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.44 1.81 -4.01 0.00 3.41 -0.30 -5.00 113.62 108.09 2roh n SER 85 Ca 0.07 -0.09 -0.28 0.00 -0.26 0.00 0.00 58.87 58.32 2roh n SER 85 Cb 0.33 0.02 0.18 0.00 -0.26 0.00 0.00 64.21 64.48 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 -3.01 0.00 -0.80 -1.33 -5.35 -0.07 -4.90 119.36 103.90 2roh n ILE 86 Ca -0.36 -0.22 -0.33 0.00 -0.27 0.00 0.00 62.75 61.57 2roh n ILE 86 Cb 0.96 -0.63 0.12 0.00 -1.74 0.00 0.00 39.64 38.35 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 -4.61 -2.86 0.20 -1.28 0.00 -1.26 -4.85 120.51 105.84 2roh n ALA 87 Ca 0.03 -0.65 0.06 0.00 0.00 0.00 0.00 53.44 52.88 2roh n ALA 87 Cb 0.55 -1.74 0.40 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.56 0.00 0.00 0.00 0.13 -1.95 -2.85 132.00 125.77 2roh h PRO 88 Ca -0.44 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.56 2roh h PRO 88 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 2roh h PRO 88 CO 0.34 0.35 -0.63 1.96 -0.23 0.00 0.00 178.00 179.78 2roh h GLN 89 N 0.00 0.00 -0.09 0.86 4.20 -2.00 -3.01 115.11 115.07 2roh h GLN 89 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2roh h GLN 89 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2roh h GLN 89 CO 0.04 0.63 0.00 1.04 -0.67 0.00 0.00 178.83 179.88 2roh n GLN 90 N -3.43 1.58 -1.62 1.46 1.13 -1.08 -4.55 117.38 110.85 2roh n GLN 90 Ca 0.00 -0.85 -0.41 0.00 -1.94 0.00 0.00 57.00 53.80 2roh n GLN 90 Cb 0.72 -1.42 -0.01 0.00 0.11 0.00 0.00 30.24 29.64 2roh n GLN 90 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2roh n ARG 91 N 0.06 3.27 -3.89 -1.09 1.74 -1.14 -4.87 116.66 110.74 2roh n ARG 91 Ca 0.17 -2.53 -0.35 0.00 -0.77 0.00 0.00 57.85 54.37 2roh n ARG 91 Cb 0.29 -3.07 -0.13 0.00 -1.02 0.00 0.00 32.46 28.53 2roh n ARG 91 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2roh s ARG 92 N 2.51 2.43 -0.35 5.56 3.52 -1.26 -4.93 118.95 126.42 2roh s ARG 92 Ca 0.55 -1.28 0.04 0.00 -0.13 0.00 0.00 55.73 54.92 2roh s ARG 92 Cb 0.15 -3.22 0.28 0.00 -1.56 0.00 0.00 34.95 30.61 2roh s ARG 92 CO -0.07 -0.64 1.29 0.41 -0.81 0.00 0.00 175.30 175.48 2roh n GLY 93 N 4.64 -0.85 1.23 8.12 0.00 -1.26 -5.15 105.19 111.91 2roh n GLY 93 Ca -0.13 0.51 0.15 0.00 0.00 0.00 0.00 46.02 46.55 2roh n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2roh n ALA 94 N 0.22 -3.23 -2.06 4.61 0.00 -1.26 -4.63 120.51 114.16 2roh n ALA 94 Ca -0.08 0.80 -0.40 0.00 0.00 0.00 0.00 53.44 53.76 2roh n ALA 94 Cb 0.73 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 2roh n ALA 94 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2roh s PRO 95 N -4.08 2.94 0.22 0.00 0.04 -1.26 -4.98 135.00 127.88 2roh s PRO 95 Ca 0.00 0.89 0.11 0.00 0.04 0.00 0.00 61.00 62.04 2roh s PRO 95 Cb 0.00 -4.29 -0.05 0.00 0.04 0.00 0.00 34.50 30.20 2roh s PRO 95 CO 0.00 -2.35 -0.18 0.14 0.04 0.00 0.00 177.00 174.66 2roh s VAL 96 N 8.04 2.67 0.10 -0.36 -7.23 -1.26 -4.98 120.40 117.38 2roh s VAL 96 Ca 0.70 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 58.52 2roh s VAL 96 Cb -0.16 -2.34 -0.07 0.00 0.56 0.00 0.00 36.38 34.37 2roh s VAL 96 CO 0.26 -0.22 1.37 -2.16 -0.31 0.00 0.00 175.10 174.04 2roh s PRO 97 N -3.03 4.33 0.44 4.82 0.04 -1.26 -4.92 135.00 135.41 2roh s PRO 97 Ca 0.25 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.44 2roh s PRO 97 Cb -0.07 -3.29 0.96 0.00 0.04 0.00 0.00 34.50 32.13 2roh s PRO 97 CO 0.13 -0.43 2.02 1.96 0.04 0.00 0.00 177.00 180.73 2roh h GLN 98 N 6.92 0.23 -0.52 4.56 1.08 -2.00 -1.97 115.11 123.40 2roh h GLN 98 Ca -0.42 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 56.82 2roh h GLN 98 Cb 1.21 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.56 2roh h GLN 98 CO 0.86 0.25 0.35 1.05 -0.95 0.00 0.00 178.83 180.39 2roh h GLU 99 N 0.23 0.42 -0.48 1.46 4.11 -1.98 0.54 114.58 118.88 2roh h GLU 99 Ca 0.05 -0.03 -0.12 0.00 0.07 0.00 0.00 59.36 59.34 2roh h GLU 99 Cb 0.15 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2roh h GLU 99 CO 0.00 0.28 -0.19 -0.07 0.07 0.00 0.00 179.01 179.10 2roh h LEU 100 N 0.43 0.99 -0.54 3.06 -0.00 -1.75 -0.94 115.31 116.56 2roh h LEU 100 Ca 0.23 -0.39 -0.10 0.00 -0.00 0.00 0.00 57.88 57.62 2roh h LEU 100 Cb 0.36 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 2roh h LEU 100 CO -0.06 1.16 -0.48 -0.07 -0.00 0.00 0.00 178.44 178.99 2roh h LEU 101 N 0.82 0.00 -0.06 1.67 -0.00 -1.30 -2.31 115.31 114.13 2roh h LEU 101 Ca 0.11 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.75 2roh h LEU 101 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 2roh h LEU 101 CO 0.06 0.48 -1.07 -0.78 -0.00 0.00 0.00 178.44 177.13 2roh h ASP 102 N 0.00 0.49 -0.06 -0.43 3.58 -0.75 -2.11 116.42 117.14 2roh h ASP 102 Ca -0.00 -0.44 -0.25 0.00 0.42 0.00 0.00 57.03 56.75 2roh h ASP 102 Cb 1.14 -0.15 0.02 0.00 1.72 0.00 0.00 39.33 42.05 2roh h ASP 102 CO 0.06 1.27 -0.95 0.08 -2.88 0.00 0.00 179.24 176.83 2roh h ARG 103 N 0.16 0.75 -0.31 0.28 0.11 -1.15 -1.82 114.38 112.39 2roh h ARG 103 Ca -0.10 -0.72 -0.16 0.00 0.10 0.00 0.00 59.98 59.09 2roh h ARG 103 Cb 1.74 0.19 -0.00 0.00 1.11 0.00 0.00 29.97 33.00 2roh h ARG 103 CO 0.18 1.31 -0.45 -0.39 0.10 0.00 0.00 179.97 180.71 2roh h VAL 104 N 0.46 1.28 0.13 0.08 -1.51 -1.50 -1.55 116.25 113.64 2roh h VAL 104 Ca -0.10 -1.64 -0.01 0.00 -1.23 0.00 0.00 66.70 63.73 2roh h VAL 104 Cb 1.59 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 32.27 2roh h VAL 104 CO 0.19 0.54 -0.06 -0.07 -1.23 0.00 0.00 177.57 176.93 2roh h LEU 105 N 0.66 -0.14 -0.45 4.19 -0.00 -1.43 -0.80 115.31 117.33 2roh h LEU 105 Ca 0.04 -0.35 0.03 0.00 -0.00 0.00 0.00 57.88 57.60 2roh h LEU 105 Cb 1.03 0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.69 2roh h LEU 105 CO 0.10 0.31 0.24 0.00 -0.00 0.00 0.00 178.44 179.09 2roh h ALA 106 N 0.14 0.57 -0.49 1.53 0.00 -1.39 -1.93 119.26 117.68 2roh h ALA 106 Ca -0.02 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2roh h ALA 106 Cb 0.49 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2roh h ALA 106 CO 0.03 -0.10 0.03 0.00 0.00 0.00 0.00 179.25 179.21 2roh h ALA 107 N 1.22 1.14 0.16 0.00 0.00 -1.32 -1.08 119.26 119.37 2roh h ALA 107 Ca 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2roh h ALA 107 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2roh h ALA 107 CO -0.11 0.56 -0.08 0.37 0.00 0.00 0.00 179.25 179.99 2roh h GLN 108 N 0.75 -0.21 -0.19 0.00 -0.00 -0.52 0.24 115.11 115.18 2roh h GLN 108 Ca 0.15 0.01 -0.09 0.00 -0.00 0.00 0.00 58.65 58.73 2roh h GLN 108 Cb 0.40 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.92 2roh h GLN 108 CO 0.01 -0.14 -0.26 0.00 0.00 0.00 0.00 178.83 178.44 2roh h ALA 109 N 0.63 1.19 -0.28 3.38 0.00 -1.27 -2.33 119.26 120.57 2roh h ALA 109 Ca -0.02 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 2roh h ALA 109 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2roh h ALA 109 CO 0.03 0.52 -0.24 1.88 0.00 0.00 0.00 179.25 181.44 2roh h TYR 110 N 0.32 0.79 0.00 0.00 -1.99 -0.86 -2.86 116.97 112.37 2roh h TYR 110 Ca 0.05 -0.23 0.00 0.00 2.00 0.00 0.00 58.73 60.55 2roh h TYR 110 Cb 0.64 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.20 2roh h TYR 110 CO 0.02 0.95 0.00 -1.49 -0.00 0.00 0.00 178.16 177.64 2roh h TRP 111 N 0.40 0.00 -2.31 4.88 -0.00 -0.40 -3.44 115.95 115.08 2roh h TRP 111 Ca 0.05 0.00 -0.25 0.00 -0.00 0.00 0.00 58.89 58.69 2roh h TRP 111 Cb 0.80 0.00 0.15 0.00 -0.00 0.00 0.00 29.16 30.11 2roh h TRP 111 CO 0.07 0.00 -0.12 -1.13 -0.00 0.00 0.00 178.44 177.26 2roh n SER 112 N -2.92 -3.49 -3.15 -3.49 3.41 -0.89 -5.05 113.62 98.04 2roh n SER 112 Ca 0.01 -0.60 0.05 0.00 -0.26 0.00 0.00 58.87 58.07 2roh n SER 112 Cb 0.27 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 2roh n SER 112 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2roh s VAL 113 N -1.78 -0.02 0.00 -3.33 0.11 -1.26 -5.06 120.40 109.06 2roh s VAL 113 Ca 0.46 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.51 2roh s VAL 113 Cb -0.08 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 2roh s VAL 113 CO 0.39 0.00 0.00 -0.67 -3.33 0.00 0.00 175.10 171.49 2roh n ASP 114 N 5.24 0.00 -0.30 3.54 2.03 -1.26 -5.02 116.55 120.79 2roh n ASP 114 Ca -0.09 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.38 2roh n ASP 114 Cb 0.55 0.00 0.41 0.00 -0.72 0.00 0.00 41.12 41.37 2roh n ASP 114 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2roh h SER 115 N 0.00 0.60 -2.17 1.67 0.87 -2.07 -3.41 113.55 109.04 2roh h SER 115 Ca 0.00 0.06 -0.50 0.00 -1.23 0.00 0.00 61.79 60.12 2roh h SER 115 Cb 0.00 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.87 2roh h SER 115 CO 0.00 0.24 -0.51 -0.55 -0.53 0.00 0.00 176.83 175.47 2roh s SER 116 N -5.56 5.55 0.00 6.23 0.15 -1.26 -5.12 113.70 113.69 2roh s SER 116 Ca -0.10 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2roh s SER 116 Cb 0.24 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 2roh s SER 116 CO 0.79 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.78 2roh n GLY 117 N -1.21 5.37 3.54 9.45 0.00 -1.26 -4.98 105.19 116.09 2roh n GLY 117 Ca -0.07 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 2roh n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2roh s ARG 118 N 3.29 -1.32 0.60 1.61 1.81 -1.26 -4.86 118.95 118.82 2roh s ARG 118 Ca 0.00 0.14 0.30 0.00 -1.72 0.00 0.00 55.73 54.45 2roh s ARG 118 Cb 0.00 -1.57 1.69 0.00 -0.45 0.00 0.00 34.95 34.62 2roh s ARG 118 CO 0.00 -3.82 2.09 -0.84 -0.68 0.00 0.00 175.30 172.05 2roh h ILE 119 N -2.66 0.40 -2.62 1.52 3.07 -2.07 -3.43 117.51 111.71 2roh h ILE 119 Ca -0.48 0.00 -0.32 0.00 1.55 0.00 0.00 64.86 65.61 2roh h ILE 119 Cb 1.31 0.82 0.19 0.00 -0.27 0.00 0.00 36.82 38.87 2roh h ILE 119 CO 0.38 0.00 -0.20 1.33 -1.05 0.00 0.00 178.15 178.62 2roh n VAL 120 N -3.68 0.00 -3.31 0.16 0.24 -1.26 -4.98 118.33 105.50 2roh n VAL 120 Ca 0.02 -0.05 -0.26 0.00 -2.04 0.00 0.00 64.34 62.00 2roh n VAL 120 Cb 0.34 -0.82 -0.07 0.00 -1.47 0.00 0.00 33.84 31.81 2roh n VAL 120 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2roh n THR 121 N -5.31 1.49 -0.07 3.34 -1.04 -1.26 -4.96 114.28 106.47 2roh n THR 121 Ca 0.10 -4.90 0.00 0.00 -2.04 0.00 0.00 64.05 57.21 2roh n THR 121 Cb 0.51 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.10 2roh n THR 121 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32