#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 -7.12 -4.77 1.61 2.88 -1.26 -4.98 113.62 99.98 2roh n SER 2 Ca 0.00 0.11 -0.34 0.00 -1.33 0.00 0.00 58.87 57.31 2roh n SER 2 Cb 0.00 -4.80 0.03 0.00 -0.75 0.00 0.00 64.21 58.69 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 -2.81 3.03 -0.38 -1.46 0.04 -1.26 -4.99 135.00 127.17 2roh s PRO 3 Ca 0.07 1.48 -0.23 0.00 0.04 0.00 0.00 61.00 62.36 2roh s PRO 3 Cb -0.02 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.56 2roh s PRO 3 CO 0.66 -1.08 0.75 -0.06 0.04 0.00 0.00 177.00 177.31 2roh s PHE 4 N -2.11 3.09 -0.20 0.56 0.08 -1.26 -4.89 117.98 113.26 2roh s PHE 4 Ca 0.69 0.40 0.17 0.00 0.12 0.00 0.00 56.93 58.32 2roh s PHE 4 Cb -0.22 -3.41 -0.24 0.00 -0.57 0.00 0.00 43.02 38.58 2roh s PHE 4 CO 0.35 -0.78 0.06 0.00 -0.10 0.00 0.00 175.22 174.76 2roh n ALA 5 N 6.41 1.51 -2.67 5.36 0.00 -1.26 -4.99 120.51 124.87 2roh n ALA 5 Ca 0.02 -1.31 -0.23 0.00 0.00 0.00 0.00 53.44 51.92 2roh n ALA 5 Cb 0.48 -0.17 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 2roh n ALA 5 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2roh s ASP 6 N -5.48 4.67 0.91 0.00 1.47 -1.26 -5.13 116.67 111.86 2roh s ASP 6 Ca -0.11 -0.60 -0.12 0.00 1.18 0.00 0.00 52.55 52.91 2roh s ASP 6 Cb 0.06 -0.92 0.14 0.00 -0.34 0.00 0.00 42.92 41.86 2roh s ASP 6 CO 0.81 -0.01 1.09 -2.16 0.68 0.00 0.00 175.17 175.58 2roh s PRO 7 N -3.70 1.11 -0.58 2.11 0.04 -1.26 -4.95 135.00 127.78 2roh s PRO 7 Ca 0.32 0.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.11 2roh s PRO 7 Cb -0.07 -1.80 0.39 0.00 0.04 0.00 0.00 34.50 33.07 2roh s PRO 7 CO 0.21 -2.33 2.03 0.09 0.04 0.00 0.00 177.00 177.04 2roh n ASN 8 N -3.93 7.35 -4.41 6.66 3.02 -1.26 -4.91 115.26 117.79 2roh n ASN 8 Ca 0.07 -3.60 -0.37 0.00 -0.03 0.00 0.00 54.58 50.65 2roh n ASN 8 Cb 0.56 -1.00 -0.13 0.00 -0.61 0.00 0.00 39.78 38.60 2roh n ASN 8 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2roh s SER 9 N -1.31 5.09 0.00 6.41 0.01 -1.26 -5.02 113.70 117.61 2roh s SER 9 Ca 0.56 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.44 2roh s SER 9 Cb 0.44 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.77 2roh s SER 9 CO -0.01 -0.09 0.60 0.18 0.41 0.00 0.00 173.24 174.33 2roh n LEU 10 N 4.90 0.23 -3.65 2.44 4.77 -1.26 -5.03 117.00 119.41 2roh n LEU 10 Ca -0.16 0.72 -0.02 0.00 -0.03 0.00 0.00 56.01 56.52 2roh n LEU 10 Cb 0.50 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2roh n LEU 10 CO 0.31 -0.38 0.89 0.00 -1.33 0.00 0.00 177.39 176.88 2roh s ALA 11 N -2.91 -1.97 -0.34 -1.18 0.00 -1.26 -5.13 121.76 108.97 2roh s ALA 11 Ca 0.00 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.66 2roh s ALA 11 Cb 0.00 0.39 0.10 0.00 0.00 0.00 0.00 23.12 23.61 2roh s ALA 11 CO 0.00 -0.93 0.08 -1.17 0.00 0.00 0.00 175.76 173.74 2roh s LEU 12 N -2.78 3.77 -0.08 0.00 1.98 -1.26 -5.09 118.68 115.22 2roh s LEU 12 Ca 0.12 -2.02 -0.30 0.00 -2.89 0.00 0.00 54.13 49.04 2roh s LEU 12 Cb 0.01 -1.34 -0.05 0.00 0.66 0.00 0.00 46.19 45.47 2roh s LEU 12 CO -0.03 -0.38 1.69 0.00 -1.89 0.00 0.00 176.35 175.74 2roh s ALA 13 N 1.09 3.52 -0.08 5.97 0.00 -1.26 -4.98 121.76 126.03 2roh s ALA 13 Ca 0.11 0.88 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 2roh s ALA 13 Cb -0.19 -3.78 -0.05 0.00 0.00 0.00 0.00 23.12 19.10 2roh s ALA 13 CO -0.14 -1.55 0.48 -0.80 0.00 0.00 0.00 175.76 173.75 2roh s ASN 14 N 3.76 6.74 0.18 0.00 0.01 -1.26 -5.08 114.94 119.29 2roh s ASN 14 Ca 0.75 0.88 0.08 0.00 -0.71 0.00 0.00 52.86 53.86 2roh s ASN 14 Cb -0.33 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 2roh s ASN 14 CO 0.31 0.08 -0.02 0.68 -1.51 0.00 0.00 177.10 176.64 2roh s VAL 15 N 0.17 3.62 -0.30 1.60 -7.23 -1.26 -5.07 120.40 111.93 2roh s VAL 15 Ca 0.26 -1.49 -0.29 0.00 -1.81 0.00 0.00 61.98 58.65 2roh s VAL 15 Cb -0.16 -2.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 2roh s VAL 15 CO 0.12 -0.12 1.67 -2.16 -0.31 0.00 0.00 175.10 174.29 2roh s PRO 16 N -2.96 3.55 -0.23 4.82 0.04 -1.26 -4.86 135.00 134.10 2roh s PRO 16 Ca 0.27 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 2roh s PRO 16 Cb -0.09 -4.11 -0.10 0.00 0.04 0.00 0.00 34.50 30.24 2roh s PRO 16 CO 0.18 -1.59 -0.31 1.28 0.04 0.00 0.00 177.00 176.60 2roh n LEU 17 N 9.33 1.71 0.00 -3.56 4.77 -1.26 -5.03 117.00 122.95 2roh n LEU 17 Ca 0.20 0.29 -0.10 0.00 -0.03 0.00 0.00 56.01 56.38 2roh n LEU 17 Cb 0.46 -0.71 0.06 0.00 -2.33 0.00 0.00 43.42 40.91 2roh n LEU 17 CO 0.67 0.43 0.27 -1.20 -1.33 0.00 0.00 177.39 176.24 2roh n SER 18 N -4.10 0.25 0.06 -1.43 7.64 -1.26 -5.08 113.62 109.71 2roh n SER 18 Ca -0.45 -1.29 0.00 0.00 1.01 0.00 0.00 58.87 58.14 2roh n SER 18 Cb 0.81 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2roh n SER 18 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2roh n ARG 19 N -1.89 0.00 -3.65 1.43 1.74 -1.26 -5.17 116.66 107.86 2roh n ARG 19 Ca 0.06 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.08 2roh n ARG 19 Cb 0.22 -0.04 0.02 0.00 -1.02 0.00 0.00 32.46 31.64 2roh n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2roh n SER 20 N -2.99 -1.93 -3.79 0.55 2.88 -1.26 -5.19 113.62 101.89 2roh n SER 20 Ca 0.00 -2.22 -0.13 0.00 -1.33 0.00 0.00 58.87 55.20 2roh n SER 20 Cb 0.00 3.19 -0.09 0.00 -0.75 0.00 0.00 64.21 66.56 2roh n SER 20 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2roh s LYS 21 N -2.07 0.64 -0.43 -1.46 2.20 -1.26 -5.10 119.74 112.26 2roh s LYS 21 Ca 0.18 -0.28 0.07 0.00 -0.36 0.00 0.00 55.97 55.58 2roh s LYS 21 Cb -0.04 0.28 0.24 0.00 -1.51 0.00 0.00 37.83 36.81 2roh s LYS 21 CO 0.09 -0.17 0.67 0.54 -0.36 0.00 0.00 175.35 176.11 2roh n ARG 22 N 1.24 0.73 -0.61 4.03 1.74 -1.26 -5.14 116.66 117.38 2roh n ARG 22 Ca -0.22 -2.59 -0.18 0.00 -0.77 0.00 0.00 57.85 54.10 2roh n ARG 22 Cb 0.56 -1.33 0.15 0.00 -1.02 0.00 0.00 32.46 30.82 2roh n ARG 22 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2roh n PRO 23 N 1.54 -2.29 -3.64 5.56 -0.04 -1.26 -5.10 135.00 129.78 2roh n PRO 23 Ca 0.16 -1.03 -0.10 0.00 -0.04 0.00 0.00 63.50 62.49 2roh n PRO 23 Cb 0.57 -0.97 -0.07 0.00 -0.04 0.00 0.00 33.50 32.99 2roh n PRO 23 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2roh s ASP 24 N -3.24 -0.58 0.29 3.54 2.15 -1.26 -5.18 116.67 112.38 2roh s ASP 24 Ca 0.42 1.10 0.08 0.00 0.43 0.00 0.00 52.55 54.58 2roh s ASP 24 Cb -0.04 1.13 -0.06 0.00 -0.30 0.00 0.00 42.92 43.65 2roh s ASP 24 CO 0.32 -0.19 -0.10 0.12 -0.17 0.00 0.00 175.17 175.16 2roh s PHE 25 N 0.42 2.10 0.00 -5.34 5.36 -1.26 -5.14 117.98 114.11 2roh s PHE 25 Ca 0.01 -0.58 0.00 0.00 -0.96 0.00 0.00 56.93 55.40 2roh s PHE 25 Cb -0.05 -1.14 0.00 0.00 -0.34 0.00 0.00 43.02 41.49 2roh s PHE 25 CO -0.05 0.44 0.00 0.41 -1.46 0.00 0.00 175.22 174.56 2roh n GLY 26 N -0.63 1.20 3.34 13.12 0.00 -1.26 -5.19 105.19 115.78 2roh n GLY 26 Ca -0.06 0.44 -0.19 0.00 0.00 0.00 0.00 46.02 46.22 2roh n GLY 26 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2roh s GLN 27 N 0.00 1.83 -1.34 1.61 -1.52 -1.26 -5.05 119.66 113.93 2roh s GLN 27 Ca 0.00 -1.99 -0.15 0.00 -1.95 0.00 0.00 55.36 51.27 2roh s GLN 27 Cb 0.00 0.36 0.01 0.00 -0.22 0.00 0.00 33.01 33.15 2roh s GLN 27 CO 0.00 -0.70 2.17 -2.13 -0.25 0.00 0.00 175.29 174.37 2roh n ARG 28 N -0.63 2.63 -3.46 2.91 0.63 -1.26 -4.82 116.66 112.65 2roh n ARG 28 Ca 0.06 -2.49 -0.12 0.00 -0.92 0.00 0.00 57.85 54.38 2roh n ARG 28 Cb 0.62 -3.24 -0.03 0.00 0.45 0.00 0.00 32.46 30.27 2roh n ARG 28 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 2roh s ARG 29 N 3.53 1.10 -0.17 -0.14 1.70 -1.26 -5.06 118.95 118.65 2roh s ARG 29 Ca 0.49 -0.29 -0.06 0.00 -0.47 0.00 0.00 55.73 55.40 2roh s ARG 29 Cb 0.14 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 35.04 2roh s ARG 29 CO -0.05 -0.46 0.13 -0.89 -1.08 0.00 0.00 175.30 172.95 2roh n ILE 30 N -0.10 -5.68 -2.96 4.99 2.08 -1.26 -4.84 119.36 111.59 2roh n ILE 30 Ca -0.15 0.85 -0.44 0.00 0.56 0.00 0.00 62.75 63.57 2roh n ILE 30 Cb 0.63 -4.46 -0.03 0.00 -0.75 0.00 0.00 39.64 35.03 2roh n ILE 30 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2roh s ARG 31 N -1.48 3.56 0.62 0.38 0.52 -1.26 -5.03 118.95 116.26 2roh s ARG 31 Ca 0.07 -1.75 -0.12 0.00 -0.52 0.00 0.00 55.73 53.41 2roh s ARG 31 Cb -0.01 -4.83 -0.03 0.00 0.52 0.00 0.00 34.95 30.60 2roh s ARG 31 CO 0.39 -1.73 1.03 1.03 0.02 0.00 0.00 175.30 176.04 2roh s ARG 32 N 2.58 3.48 1.23 3.54 1.81 -1.26 -5.06 118.95 125.27 2roh s ARG 32 Ca 0.30 0.84 -0.20 0.00 -1.72 0.00 0.00 55.73 54.95 2roh s ARG 32 Cb -0.06 -2.06 0.30 0.00 -0.45 0.00 0.00 34.95 32.67 2roh s ARG 32 CO -0.08 -0.66 1.11 -1.25 -0.68 0.00 0.00 175.30 173.74 2roh s PRO 33 N -4.96 -1.47 1.06 3.54 0.04 -1.26 -5.01 135.00 126.95 2roh s PRO 33 Ca 0.57 -0.15 -0.11 0.00 0.04 0.00 0.00 61.00 61.34 2roh s PRO 33 Cb -0.12 -1.58 0.23 0.00 0.04 0.00 0.00 34.50 33.07 2roh s PRO 33 CO 0.51 -3.86 1.08 1.97 0.04 0.00 0.00 177.00 176.74 2roh n PHE 34 N -4.85 -0.28 -3.73 0.56 1.16 -1.26 -5.01 117.46 104.05 2roh n PHE 34 Ca 0.14 0.10 -0.32 0.00 -1.87 0.00 0.00 57.45 55.50 2roh n PHE 34 Cb 0.60 -1.84 -0.05 0.00 -1.61 0.00 0.00 39.48 36.58 2roh n PHE 34 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 2roh s THR 35 N -2.51 5.23 0.24 1.97 2.01 -1.26 -4.96 115.64 116.36 2roh s THR 35 Ca 0.68 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.63 2roh s THR 35 Cb -0.24 -3.62 0.22 0.00 0.01 0.00 0.00 72.50 68.87 2roh s THR 35 CO 0.62 0.13 1.71 1.62 -0.69 0.00 0.00 174.62 178.01 2roh h VAL 36 N 2.28 0.60 -0.20 3.82 3.04 -1.98 0.21 116.25 124.02 2roh h VAL 36 Ca -0.47 -0.12 -0.13 0.00 -1.01 0.00 0.00 66.70 64.98 2roh h VAL 36 Cb 1.17 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 2roh h VAL 36 CO 0.72 0.06 -0.37 0.00 -1.01 0.00 0.00 177.57 176.97 2roh h ALA 37 N 1.57 0.31 -0.90 3.17 0.00 -1.98 -1.67 119.26 119.76 2roh h ALA 37 Ca 0.40 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2roh h ALA 37 Cb 0.65 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2roh h ALA 37 CO -0.45 0.39 0.58 0.93 0.00 0.00 0.00 179.25 180.70 2roh h GLU 38 N 0.27 1.07 -0.16 0.00 3.07 -1.67 -0.60 114.58 116.57 2roh h GLU 38 Ca 0.01 -0.06 -0.19 0.00 -0.50 0.00 0.00 59.36 58.61 2roh h GLU 38 Cb 0.96 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2roh h GLU 38 CO 0.08 0.71 -0.68 0.28 -1.40 0.00 0.00 179.01 178.00 2roh h VAL 39 N 1.11 1.32 -0.46 3.13 2.07 -0.63 -1.89 116.25 120.89 2roh h VAL 39 Ca 0.36 -1.95 -0.05 0.00 0.82 0.00 0.00 66.70 65.88 2roh h VAL 39 Cb 0.04 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2roh h VAL 39 CO -0.13 0.61 0.07 1.05 0.02 0.00 0.00 177.57 179.19 2roh h GLU 40 N 0.46 0.71 0.05 1.57 4.11 -0.72 -1.70 114.58 119.06 2roh h GLU 40 Ca -0.02 -0.15 -0.27 0.00 0.07 0.00 0.00 59.36 58.99 2roh h GLU 40 Cb 1.28 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 30.44 2roh h GLU 40 CO 0.13 0.68 -1.10 -0.07 0.07 0.00 0.00 179.01 178.73 2roh h LEU 41 N 0.69 0.77 -0.86 3.06 3.38 -1.09 -2.24 115.31 119.01 2roh h LEU 41 Ca 0.15 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 2roh h LEU 41 Cb 0.32 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2roh h LEU 41 CO 0.00 1.46 0.42 0.25 0.09 0.00 0.00 178.44 180.67 2roh h LEU 42 N 0.29 1.11 -0.19 1.67 5.85 -1.11 -1.40 115.31 121.54 2roh h LEU 42 Ca -0.14 -0.13 -0.22 0.00 0.84 0.00 0.00 57.88 58.23 2roh h LEU 42 Cb 1.75 -0.29 0.01 0.00 0.37 0.00 0.00 40.66 42.51 2roh h LEU 42 CO 0.20 0.93 -0.85 -0.37 -0.34 0.00 0.00 178.44 178.02 2roh h VAL 43 N 1.22 1.32 -0.23 1.05 -1.51 -1.37 -3.15 116.25 113.58 2roh h VAL 43 Ca 0.30 -2.13 -0.04 0.00 -1.23 0.00 0.00 66.70 63.59 2roh h VAL 43 Cb 0.10 2.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 2roh h VAL 43 CO -0.04 0.66 -0.03 1.05 -1.23 0.00 0.00 177.57 177.98 2roh h GLU 44 N 0.41 0.35 -0.08 5.19 4.11 -1.13 0.44 114.58 123.87 2roh h GLU 44 Ca -0.07 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.29 2roh h GLU 44 Cb 1.47 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 2roh h GLU 44 CO 0.16 0.41 0.01 0.00 0.07 0.00 0.00 179.01 179.66 2roh h ALA 45 N 1.63 0.10 0.01 1.06 0.00 -1.24 0.29 119.26 121.12 2roh h ALA 45 Ca 0.08 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 2roh h ALA 45 Cb 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2roh h ALA 45 CO 0.01 -0.25 -0.90 -0.24 0.00 0.00 0.00 179.25 177.88 2roh h VAL 46 N -0.12 1.51 -0.11 0.00 3.04 -1.47 -3.29 116.25 115.81 2roh h VAL 46 Ca 0.02 -2.68 -0.08 0.00 -1.01 0.00 0.00 66.70 62.95 2roh h VAL 46 Cb 0.30 2.51 0.00 0.00 -2.01 0.00 0.00 31.29 32.08 2roh h VAL 46 CO 0.00 0.78 -0.22 -0.33 -1.01 0.00 0.00 177.57 176.79 2roh h GLU 47 N 0.10 0.35 -0.96 4.17 5.08 -0.09 0.32 114.58 123.55 2roh h GLU 47 Ca -0.05 -0.23 0.27 0.00 -1.00 0.00 0.00 59.36 58.36 2roh h GLU 47 Cb 1.54 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.77 2roh h GLU 47 CO 0.14 0.82 0.68 1.25 -1.00 0.00 0.00 179.01 180.90 2roh h HIS 48 N -0.07 0.11 0.00 4.33 2.76 -0.49 0.22 115.15 122.01 2roh h HIS 48 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2roh h HIS 48 Cb 0.81 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.74 2roh h HIS 48 CO 0.10 0.02 -1.40 1.28 -1.30 0.00 0.00 177.93 176.63 2roh n LEU 49 N -4.30 0.37 0.00 0.26 4.77 -1.17 -5.02 117.00 111.91 2roh n LEU 49 Ca 0.20 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2roh n LEU 49 Cb 0.98 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 2roh n LEU 49 CO 0.37 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2roh n GLY 50 N 1.44 1.48 2.52 -0.72 0.00 0.11 -3.28 105.19 106.75 2roh n GLY 50 Ca -0.00 0.35 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 2roh n GLY 50 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2roh n THR 51 N 0.00 0.16 0.00 2.61 5.66 -1.26 -4.71 114.28 116.74 2roh n THR 51 Ca 0.00 -2.89 0.00 0.00 -3.05 0.00 0.00 64.05 58.11 2roh n THR 51 Cb 0.00 0.63 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 2roh n THR 51 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2roh n GLY 52 N 0.08 1.46 3.73 1.09 0.00 -1.20 -4.96 105.19 105.37 2roh n GLY 52 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 3.64 4.46 0.44 1.61 0.52 -1.26 -4.95 118.95 123.42 2roh s ARG 53 Ca 0.00 0.99 0.24 0.00 -0.52 0.00 0.00 55.73 56.44 2roh s ARG 53 Cb 0.00 -3.42 0.89 0.00 0.52 0.00 0.00 34.95 32.94 2roh s ARG 53 CO 0.00 0.13 1.82 -1.49 0.02 0.00 0.00 175.30 175.77 2roh h TRP 54 N 6.40 0.00 -0.76 -0.53 6.55 -1.98 -3.13 115.95 122.51 2roh h TRP 54 Ca -0.42 0.00 0.07 0.00 0.95 0.00 0.00 58.89 59.49 2roh h TRP 54 Cb 1.20 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 29.44 2roh h TRP 54 CO 0.65 0.23 0.44 0.07 -1.05 0.00 0.00 178.44 178.78 2roh h ARG 55 N 0.00 0.76 0.00 0.49 0.11 -1.94 -0.10 114.38 113.70 2roh h ARG 55 Ca -0.00 -0.05 -0.05 0.00 0.10 0.00 0.00 59.98 59.99 2roh h ARG 55 Cb 0.76 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.67 2roh h ARG 55 CO 0.03 0.50 -0.22 -0.44 0.10 0.00 0.00 179.97 179.94 2roh h ASP 56 N 0.78 0.00 0.02 0.08 5.19 -1.94 -2.01 116.42 118.55 2roh h ASP 56 Ca 0.35 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.76 2roh h ASP 56 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 2roh h ASP 56 CO -0.20 0.22 -0.01 0.58 -3.12 0.00 0.00 179.24 176.70 2roh h VAL 57 N 0.00 1.29 -0.25 -1.35 2.07 -1.14 0.40 116.25 117.27 2roh h VAL 57 Ca -0.00 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.47 2roh h VAL 57 Cb 0.46 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2roh h VAL 57 CO 0.03 0.25 -0.15 0.50 0.02 0.00 0.00 177.57 178.22 2roh h LYS 58 N -0.46 0.42 0.03 1.57 3.64 -1.29 0.26 116.57 120.74 2roh h LYS 58 Ca -0.00 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.12 2roh h LYS 58 Cb 0.43 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2roh h LYS 58 CO 0.01 0.57 -0.53 0.74 -2.27 0.00 0.00 179.45 177.97 2roh h PHE 59 N 0.39 0.48 -0.48 1.91 0.04 -1.34 -3.02 116.94 114.93 2roh h PHE 59 Ca 0.07 -0.28 -0.13 0.00 2.80 0.00 0.00 57.97 60.43 2roh h PHE 59 Cb 0.50 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 2roh h PHE 59 CO 0.01 1.12 -0.22 -0.09 -0.60 0.00 0.00 178.31 178.54 2roh h ARG 60 N -0.29 1.00 0.00 1.51 9.65 -0.10 -3.34 114.38 122.81 2roh h ARG 60 Ca -0.07 -0.43 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 2roh h ARG 60 Cb 1.29 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 2roh h ARG 60 CO 0.10 1.11 0.00 0.00 2.80 0.00 0.00 179.97 183.98 2roh n ALA 61 N -2.52 -0.40 -3.02 2.80 0.00 0.92 -4.88 120.51 113.42 2roh n ALA 61 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2roh n ALA 61 Cb 0.46 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.75 -0.42 -0.35 0.00 0.08 -1.14 -4.96 117.98 108.43 2roh s PHE 62 Ca 0.00 0.19 -0.37 0.00 0.12 0.00 0.00 56.93 56.86 2roh s PHE 62 Cb 0.00 0.07 -0.13 0.00 -0.57 0.00 0.00 43.02 42.39 2roh s PHE 62 CO 0.00 -0.26 2.10 -1.91 -0.10 0.00 0.00 175.22 175.05 2roh n GLU 63 N 4.62 0.97 -3.19 0.44 2.13 -1.23 0.12 120.64 124.50 2roh n GLU 63 Ca 0.08 0.29 -0.15 0.00 0.66 0.00 0.00 57.16 58.04 2roh n GLU 63 Cb 0.60 -2.27 0.05 0.00 0.27 0.00 0.00 31.44 30.09 2roh n GLU 63 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2roh n ASN 64 N 8.67 -4.68 -0.25 4.31 3.02 -1.26 -4.91 115.26 120.15 2roh n ASN 64 Ca 0.40 -0.35 0.06 0.00 -0.03 0.00 0.00 54.58 54.66 2roh n ASN 64 Cb 0.18 -3.43 0.19 0.00 -0.61 0.00 0.00 39.78 36.11 2roh n ASN 64 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2roh h VAL 65 N -1.72 0.58 0.00 2.41 3.04 -0.68 -3.39 116.25 116.49 2roh h VAL 65 Ca -0.37 -0.12 -0.07 0.00 -1.01 0.00 0.00 66.70 65.13 2roh h VAL 65 Cb 1.24 0.20 -0.08 0.00 -2.01 0.00 0.00 31.29 30.63 2roh h VAL 65 CO 0.36 0.06 0.26 1.57 -1.01 0.00 0.00 177.57 178.81 2roh n HIS 66 N -5.08 -0.09 -2.76 3.17 -0.00 -1.26 -5.03 115.22 104.17 2roh n HIS 66 Ca 0.14 -0.55 -0.01 0.00 0.46 0.00 0.00 57.72 57.77 2roh n HIS 66 Cb 0.44 1.12 0.00 0.00 -0.12 0.00 0.00 29.99 31.43 2roh n HIS 66 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2roh n HIS 67 N -0.45 -2.49 -4.45 1.57 8.25 -1.26 -5.06 115.22 111.33 2roh n HIS 67 Ca -0.30 0.96 -0.23 0.00 -0.26 0.00 0.00 57.72 57.89 2roh n HIS 67 Cb 0.63 -3.64 -0.09 0.00 1.12 0.00 0.00 29.99 28.01 2roh n HIS 67 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2roh s ARG 68 N -2.92 1.80 0.04 -0.41 6.06 -1.26 -5.16 118.95 117.09 2roh s ARG 68 Ca 0.02 -2.07 0.03 0.00 -2.50 0.00 0.00 55.73 51.21 2roh s ARG 68 Cb -0.01 -0.46 -0.02 0.00 0.06 0.00 0.00 34.95 34.52 2roh s ARG 68 CO 0.62 -0.44 -0.09 0.99 -2.50 0.00 0.00 175.30 173.87 2roh s THR 69 N -3.33 0.68 0.30 4.11 2.01 -1.26 -4.98 115.64 113.17 2roh s THR 69 Ca 0.29 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.40 2roh s THR 69 Cb 0.04 -0.69 0.29 0.00 0.01 0.00 0.00 72.50 72.15 2roh s THR 69 CO 0.16 -0.21 1.76 0.10 -0.69 0.00 0.00 174.62 175.74 2roh h TYR 70 N 4.81 0.98 -0.54 4.92 -0.00 -1.96 0.21 116.97 125.38 2roh h TYR 70 Ca -0.35 0.04 -0.04 0.00 -0.00 0.00 0.00 58.73 58.37 2roh h TYR 70 Cb 1.20 -0.28 -0.03 0.00 -0.00 0.00 0.00 36.73 37.62 2roh h TYR 70 CO 0.58 0.17 0.17 -0.24 -0.00 0.00 0.00 178.16 178.84 2roh h VAL 71 N 0.67 1.21 -0.42 -0.90 3.04 -1.96 -2.15 116.25 115.75 2roh h VAL 71 Ca 0.57 -0.73 -0.11 0.00 -1.01 0.00 0.00 66.70 65.43 2roh h VAL 71 Cb 0.94 0.63 -0.02 0.00 -2.01 0.00 0.00 31.29 30.83 2roh h VAL 71 CO -0.41 0.28 -0.17 0.44 -1.01 0.00 0.00 177.57 176.69 2roh h ASP 72 N 0.78 0.79 -0.22 3.17 3.32 -1.03 -1.91 116.42 121.33 2roh h ASP 72 Ca 0.18 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 2roh h ASP 72 Cb 0.23 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2roh h ASP 72 CO -0.01 0.96 0.01 -0.07 -1.72 0.00 0.00 179.24 178.41 2roh h LEU 73 N 0.70 0.37 -0.38 1.55 3.38 -0.91 -0.38 115.31 119.63 2roh h LEU 73 Ca 0.11 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2roh h LEU 73 Cb 0.67 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2roh h LEU 73 CO 0.05 0.57 0.21 0.50 0.09 0.00 0.00 178.44 179.86 2roh h LYS 74 N 0.15 0.53 -0.53 1.13 1.63 -1.34 -1.65 116.57 116.50 2roh h LYS 74 Ca 0.06 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 2roh h LYS 74 Cb 0.38 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 2roh h LYS 74 CO 0.01 0.43 0.08 0.22 -3.45 0.00 0.00 179.45 176.74 2roh h ASP 75 N 0.49 0.79 -0.73 4.20 3.58 -1.30 -2.05 116.42 121.42 2roh h ASP 75 Ca 0.14 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 2roh h ASP 75 Cb 0.05 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 2roh h ASP 75 CO -0.02 0.81 0.25 0.11 -2.88 0.00 0.00 179.24 177.51 2roh h LYS 76 N 0.80 1.11 -0.36 0.28 1.79 -0.70 -1.61 116.57 117.89 2roh h LYS 76 Ca 0.17 -0.23 -0.07 0.00 -2.18 0.00 0.00 60.65 58.34 2roh h LYS 76 Cb 0.37 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2roh h LYS 76 CO 0.01 0.94 -0.05 2.35 -1.08 0.00 0.00 179.45 181.61 2roh h TRP 77 N 1.06 0.74 -0.80 -1.35 7.01 -1.02 -1.32 115.95 120.28 2roh h TRP 77 Ca 0.24 -0.15 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 2roh h TRP 77 Cb 0.28 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.11 2roh h TRP 77 CO 0.02 0.81 0.47 -0.22 -2.79 0.00 0.00 178.44 176.73 2roh h LYS 78 N 0.47 1.09 0.11 2.65 1.63 -1.20 -0.50 116.57 120.83 2roh h LYS 78 Ca 0.09 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2roh h LYS 78 Cb 0.54 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2roh h LYS 78 CO 0.03 0.78 -0.05 1.15 -3.45 0.00 0.00 179.45 177.91 2roh h THR 79 N 1.10 1.06 -0.30 1.00 2.02 -1.20 -2.15 112.91 114.45 2roh h THR 79 Ca 0.29 -0.74 0.04 0.00 0.77 0.00 0.00 66.41 66.77 2roh h THR 79 Cb -0.02 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2roh h THR 79 CO -0.05 0.18 0.20 0.17 0.37 0.00 0.00 175.52 176.39 2roh h LEU 80 N -0.50 0.19 -0.12 2.58 8.10 -1.12 -1.82 115.31 122.62 2roh h LEU 80 Ca -0.02 -0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.93 2roh h LEU 80 Cb 0.40 -0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.58 2roh h LEU 80 CO 0.03 0.13 -0.09 0.58 -4.11 0.00 0.00 178.44 174.98 2roh h VAL 81 N 0.22 1.34 -0.88 0.15 2.07 -0.95 -0.82 116.25 117.38 2roh h VAL 81 Ca 0.13 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.46 2roh h VAL 81 Cb 0.23 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 2roh h VAL 81 CO -0.02 0.34 0.56 -0.74 0.02 0.00 0.00 177.57 177.73 2roh h HIS 82 N -0.11 1.13 -0.00 1.57 -0.00 -0.79 0.06 115.15 117.01 2roh h HIS 82 Ca 0.02 0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.26 2roh h HIS 82 Cb 0.58 -0.38 -0.02 0.00 -0.00 0.00 0.00 27.41 27.59 2roh h HIS 82 CO 0.08 0.73 -0.69 1.15 -0.00 0.00 0.00 177.93 179.20 2roh h THR 83 N 1.21 1.50 -0.00 6.26 2.02 -1.32 -0.47 112.91 122.10 2roh h THR 83 Ca 0.32 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 65.13 2roh h THR 83 Cb -0.10 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2roh h THR 83 CO -0.06 0.68 -0.16 0.00 0.37 0.00 0.00 175.52 176.34 2roh n ALA 84 N -2.41 2.81 -0.09 6.16 0.00 -0.32 -3.85 120.51 122.81 2roh n ALA 84 Ca -0.01 -0.24 -0.11 0.00 0.00 0.00 0.00 53.44 53.08 2roh n ALA 84 Cb 0.68 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 2roh n ALA 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2roh n SER 85 N -1.22 2.08 -4.11 0.00 2.88 -0.06 -4.99 113.62 108.20 2roh n SER 85 Ca 0.11 -0.07 -0.30 0.00 -1.33 0.00 0.00 58.87 57.28 2roh n SER 85 Cb 0.31 0.08 0.18 0.00 -0.75 0.00 0.00 64.21 64.02 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 -2.90 0.00 -0.74 2.46 -5.35 -0.20 -4.91 119.36 107.72 2roh n ILE 86 Ca -0.31 -0.24 -0.32 0.00 -0.27 0.00 0.00 62.75 61.60 2roh n ILE 86 Cb 0.91 -0.60 0.14 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 -4.52 -1.99 -0.11 -1.28 0.00 -1.26 -4.83 120.51 106.52 2roh n ALA 87 Ca 0.02 -0.62 -0.13 0.00 0.00 0.00 0.00 53.44 52.71 2roh n ALA 87 Cb 0.58 -1.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 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 -1.74 0.92 0.00 0.00 0.13 -1.94 -2.59 132.00 126.77 2roh h PRO 88 Ca -0.44 -0.48 -0.03 0.00 -0.87 0.00 0.00 66.00 64.18 2roh h PRO 88 Cb 1.28 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2roh h PRO 88 CO 0.37 1.14 -0.13 -0.56 -0.23 0.00 0.00 178.00 178.59 2roh h GLN 89 N 0.75 0.00 0.00 0.86 3.07 -2.02 -1.99 115.11 115.78 2roh h GLN 89 Ca 0.06 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.65 2roh h GLN 89 Cb 0.98 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.52 2roh h GLN 89 CO 0.10 0.13 -0.95 1.96 0.09 0.00 0.00 178.83 180.15 2roh h GLN 90 N 0.00 0.00 -3.88 0.06 4.20 -1.88 -3.39 115.11 110.22 2roh h GLN 90 Ca -0.00 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.04 2roh h GLN 90 Cb 0.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 2roh h GLN 90 CO 0.02 0.47 3.05 -2.13 -0.67 0.00 0.00 178.83 179.57 2roh n ARG 91 N -3.10 2.66 -3.57 1.46 0.63 -0.75 -4.84 116.66 109.15 2roh n ARG 91 Ca -0.03 -2.28 -0.40 0.00 -0.92 0.00 0.00 57.85 54.21 2roh n ARG 91 Cb 0.81 -3.06 -0.08 0.00 0.45 0.00 0.00 32.46 30.58 2roh n ARG 91 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2roh s ARG 92 N 3.41 2.72 0.00 -0.14 1.81 -1.26 -4.97 118.95 120.52 2roh s ARG 92 Ca 0.53 -2.17 0.00 0.00 -1.72 0.00 0.00 55.73 52.37 2roh s ARG 92 Cb 0.15 -3.95 0.00 0.00 -0.45 0.00 0.00 34.95 30.69 2roh s ARG 92 CO -0.04 -1.20 0.00 0.41 -0.68 0.00 0.00 175.30 173.79 2roh n GLY 93 N 4.23 4.38 3.95 -3.53 0.00 -1.26 -5.17 105.19 107.80 2roh n GLY 93 Ca 0.02 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.61 3.75 -0.49 4.61 0.00 -1.26 -5.02 121.76 121.74 2roh s ALA 94 Ca 0.00 -0.98 -0.27 0.00 0.00 0.00 0.00 51.96 50.70 2roh s ALA 94 Cb 0.00 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 2roh s ALA 94 CO 0.00 0.00 1.79 -1.25 0.00 0.00 0.00 175.76 176.30 2roh s PRO 95 N -4.27 2.97 0.23 0.00 0.04 -1.26 -4.98 135.00 127.73 2roh s PRO 95 Ca 0.40 0.93 0.11 0.00 0.04 0.00 0.00 61.00 62.47 2roh s PRO 95 Cb -0.09 -4.28 -0.05 0.00 0.04 0.00 0.00 34.50 30.12 2roh s PRO 95 CO 0.35 -2.30 -0.17 0.14 0.04 0.00 0.00 177.00 175.06 2roh s VAL 96 N 7.93 2.69 0.04 -0.36 -7.23 -1.26 -5.09 120.40 117.13 2roh s VAL 96 Ca 0.71 -2.08 -0.31 0.00 -1.81 0.00 0.00 61.98 58.49 2roh s VAL 96 Cb -0.16 -2.36 -0.06 0.00 0.56 0.00 0.00 36.38 34.35 2roh s VAL 96 CO 0.26 -0.25 1.41 -2.16 -0.31 0.00 0.00 175.10 174.06 2roh s PRO 97 N -3.13 4.29 0.46 4.82 0.04 -1.26 -4.91 135.00 135.31 2roh s PRO 97 Ca 0.26 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.45 2roh s PRO 97 Cb -0.07 -3.48 1.05 0.00 0.04 0.00 0.00 34.50 32.04 2roh s PRO 97 CO 0.14 -0.54 2.07 1.96 0.04 0.00 0.00 177.00 180.66 2roh h GLN 98 N 7.56 0.18 -0.36 4.56 4.20 -2.00 -1.73 115.11 127.53 2roh h GLN 98 Ca -0.40 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.32 2roh h GLN 98 Cb 1.19 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.92 2roh h GLN 98 CO 0.89 0.18 0.24 1.05 -0.67 0.00 0.00 178.83 180.52 2roh h GLU 99 N 0.18 0.39 -0.44 1.46 9.09 -1.99 -0.26 114.58 123.01 2roh h GLU 99 Ca 0.05 -0.02 -0.12 0.00 0.05 0.00 0.00 59.36 59.31 2roh h GLU 99 Cb 0.09 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 2roh h GLU 99 CO -0.00 0.26 -0.20 -0.07 0.05 0.00 0.00 179.01 179.05 2roh h LEU 100 N 0.41 0.94 -0.69 3.06 -0.00 -1.71 -1.41 115.31 115.91 2roh h LEU 100 Ca 0.14 -0.40 -0.09 0.00 -0.00 0.00 0.00 57.88 57.53 2roh h LEU 100 Cb 0.06 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.45 2roh h LEU 100 CO -0.03 1.13 -0.43 -0.07 -0.00 0.00 0.00 178.44 179.04 2roh h LEU 101 N 0.75 0.00 -0.02 1.67 -0.00 -1.37 -2.43 115.31 113.92 2roh h LEU 101 Ca 0.10 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.76 2roh h LEU 101 Cb 0.77 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.44 2roh h LEU 101 CO 0.06 0.43 -0.87 -0.78 -0.00 0.00 0.00 178.44 177.29 2roh h ASP 102 N 0.00 0.80 -0.28 -0.43 3.58 -0.88 -1.68 116.42 117.54 2roh h ASP 102 Ca -0.00 -0.73 -0.09 0.00 0.42 0.00 0.00 57.03 56.63 2roh h ASP 102 Cb 1.04 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 2roh h ASP 102 CO 0.06 1.42 -0.18 0.08 -2.88 0.00 0.00 179.24 177.74 2roh h ARG 103 N 0.26 0.61 -0.53 0.28 0.11 -1.25 0.82 114.38 114.67 2roh h ARG 103 Ca -0.10 -0.29 -0.12 0.00 0.10 0.00 0.00 59.98 59.57 2roh h ARG 103 Cb 1.53 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.59 2roh h ARG 103 CO 0.17 0.87 -0.14 -0.39 0.10 0.00 0.00 179.97 180.58 2roh h VAL 104 N 0.34 1.27 0.11 0.08 -1.51 -1.52 -0.71 116.25 114.31 2roh h VAL 104 Ca 0.06 -1.31 -0.01 0.00 -1.23 0.00 0.00 66.70 64.21 2roh h VAL 104 Cb 0.71 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 2roh h VAL 104 CO 0.05 0.46 -0.05 -0.07 -1.23 0.00 0.00 177.57 176.73 2roh h LEU 105 N 0.91 -0.13 -0.39 4.19 3.38 -1.28 -1.26 115.31 120.73 2roh h LEU 105 Ca 0.13 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.74 2roh h LEU 105 Cb 0.72 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 2roh h LEU 105 CO 0.06 0.37 0.18 0.00 0.09 0.00 0.00 178.44 179.13 2roh h ALA 106 N 0.10 0.48 -0.77 1.53 0.00 -0.87 -2.01 119.26 117.72 2roh h ALA 106 Ca -0.02 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2roh h ALA 106 Cb 0.52 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2roh h ALA 106 CO 0.03 -0.19 0.31 0.00 0.00 0.00 0.00 179.25 179.39 2roh h ALA 107 N 1.22 1.00 -0.04 0.00 0.00 -1.19 -0.67 119.26 119.58 2roh h ALA 107 Ca 0.17 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2roh h ALA 107 Cb 0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2roh h ALA 107 CO -0.13 0.63 -0.11 0.37 0.00 0.00 0.00 179.25 180.00 2roh h GLN 108 N 1.11 -0.16 0.00 0.00 -0.00 -0.70 -1.45 115.11 113.92 2roh h GLN 108 Ca 0.26 0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.84 2roh h GLN 108 Cb 0.22 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.72 2roh h GLN 108 CO -0.02 -0.11 -0.38 0.00 0.00 0.00 0.00 178.83 178.33 2roh h ALA 109 N 0.84 1.24 -0.54 3.38 0.00 -1.25 -2.15 119.26 120.78 2roh h ALA 109 Ca 0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2roh h ALA 109 Cb 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2roh h ALA 109 CO -0.14 0.47 0.18 1.88 0.00 0.00 0.00 179.25 181.64 2roh h TYR 110 N 0.00 0.85 -0.01 0.00 -1.99 -0.35 -2.32 116.97 113.16 2roh h TYR 110 Ca -0.00 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.64 2roh h TYR 110 Cb 0.73 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 39.21 2roh h TYR 110 CO 0.00 0.72 -0.12 0.91 -0.00 0.00 0.00 178.16 179.67 2roh n TRP 111 N -4.48 0.00 -1.24 4.88 5.03 -0.62 -4.06 117.44 116.96 2roh n TRP 111 Ca 0.02 0.00 -0.25 0.00 3.03 0.00 0.00 57.50 60.30 2roh n TRP 111 Cb 0.19 -0.12 0.02 0.00 -1.03 0.00 0.00 31.31 30.36 2roh n TRP 111 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2roh n SER 112 N -0.70 6.79 0.00 -0.99 2.88 -0.82 -4.36 113.62 116.43 2roh n SER 112 Ca 0.15 -3.30 0.00 0.00 -1.33 0.00 0.00 58.87 54.39 2roh n SER 112 Cb 0.29 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 2roh n SER 112 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2roh n VAL 113 N 0.20 0.00 -3.90 2.46 3.14 -1.26 -4.98 118.33 114.00 2roh n VAL 113 Ca 0.44 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.53 2roh n VAL 113 Cb 0.56 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.36 2roh n VAL 113 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2roh n ASP 114 N 0.00 -4.15 -4.45 6.55 2.03 -1.26 -4.90 116.55 110.38 2roh n ASP 114 Ca 0.00 -0.80 -0.34 0.00 0.52 0.00 0.00 54.79 54.18 2roh n ASP 114 Cb 0.00 -3.85 0.11 0.00 -0.72 0.00 0.00 41.12 36.66 2roh n ASP 114 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2roh n SER 115 N -2.86 -1.66 -0.01 1.67 3.41 -1.26 -4.89 113.62 108.02 2roh n SER 115 Ca -0.01 0.41 -0.09 0.00 -0.26 0.00 0.00 58.87 58.91 2roh n SER 115 Cb 0.55 -1.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.24 2roh n SER 115 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2roh h SER 116 N -1.25 -0.49 0.00 4.04 0.87 -1.91 -3.46 113.55 111.34 2roh h SER 116 Ca -0.44 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2roh h SER 116 Cb 1.30 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 2roh h SER 116 CO 0.37 -0.20 0.00 0.61 -0.53 0.00 0.00 176.83 177.08 2roh n GLY 117 N -1.30 2.35 3.63 5.77 0.00 -1.26 -4.92 105.19 109.46 2roh n GLY 117 Ca -0.03 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 2roh n GLY 117 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2roh n ARG 118 N 13.45 -6.65 0.00 1.61 0.63 -1.26 -4.88 116.66 119.56 2roh n ARG 118 Ca 0.00 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.69 2roh n ARG 118 Cb 0.00 -5.69 0.00 0.00 0.45 0.00 0.00 32.46 27.22 2roh n ARG 118 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2roh n ILE 119 N -4.60 0.00 -1.93 5.15 -5.35 -1.26 -5.06 119.36 106.31 2roh n ILE 119 Ca -0.11 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.00 2roh n ILE 119 Cb 0.60 -0.54 0.04 0.00 -1.74 0.00 0.00 39.64 38.00 2roh n ILE 119 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 2roh s VAL 120 N -1.79 2.43 -0.41 7.28 -7.23 -1.26 -5.00 120.40 114.41 2roh s VAL 120 Ca 0.00 0.28 0.07 0.00 -1.81 0.00 0.00 61.98 60.52 2roh s VAL 120 Cb 0.00 -3.13 0.22 0.00 0.56 0.00 0.00 36.38 34.04 2roh s VAL 120 CO 0.00 -0.04 0.52 0.41 -0.31 0.00 0.00 175.10 175.68 2roh n THR 121 N -1.40 -0.74 -0.43 5.32 -1.04 -1.26 -5.24 114.28 109.50 2roh n THR 121 Ca 0.13 -3.45 0.00 0.00 -2.04 0.00 0.00 64.05 58.69 2roh n THR 121 Cb 0.48 -1.38 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 2roh n THR 121 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61