#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2frg h SER 21 N 0.00 0.00 -2.42 1.61 4.64 -2.08 -3.47 113.55 111.83 2frg h SER 21 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2frg h SER 21 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 2frg h SER 21 CO 0.00 0.70 -0.61 -0.76 -0.87 0.00 0.00 176.83 175.29 2frg s LEU 22 N -6.18 3.42 1.00 5.97 1.43 -1.26 -5.13 118.68 117.93 2frg s LEU 22 Ca -0.01 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.51 2frg s LEU 22 Cb 0.08 -1.99 0.19 0.00 0.03 0.00 0.00 46.19 44.51 2frg s LEU 22 CO 0.80 0.02 1.14 -2.16 0.23 0.00 0.00 176.35 176.38 2frg s PRO 23 N -3.48 0.39 0.23 1.29 0.04 -1.26 -4.95 135.00 127.26 2frg s PRO 23 Ca 0.31 0.16 -0.31 0.00 0.04 0.00 0.00 61.00 61.20 2frg s PRO 23 Cb -0.08 -1.76 -0.11 0.00 0.04 0.00 0.00 34.50 32.59 2frg s PRO 23 CO 0.21 -2.68 1.55 -2.00 0.04 0.00 0.00 177.00 174.12 2frg s GLU 24 N -5.32 4.20 -0.21 4.56 2.12 -0.14 -4.85 118.70 119.06 2frg s GLU 24 Ca 0.67 2.42 -0.02 0.00 0.36 0.00 0.00 54.97 58.40 2frg s GLU 24 Cb -0.13 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.16 2frg s GLU 24 CO 0.55 -0.57 -0.10 0.08 -0.54 0.00 0.00 175.26 174.68 2frg s VAL 25 N 0.50 2.89 0.05 3.70 1.01 -1.26 0.24 120.40 127.52 2frg s VAL 25 Ca 0.65 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 62.03 2frg s VAL 25 Cb -0.45 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2frg s VAL 25 CO 0.39 0.44 -0.24 -0.76 0.00 0.00 0.00 175.10 174.93 2frg s LEU 26 N 1.40 2.17 -0.10 3.92 1.43 -0.02 -4.99 118.68 122.50 2frg s LEU 26 Ca 0.05 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 2frg s LEU 26 Cb -0.14 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 44.92 2frg s LEU 26 CO -0.07 0.22 -0.18 -1.10 0.23 0.00 0.00 176.35 175.46 2frg s GLN 27 N -1.23 2.40 -0.09 1.70 -1.52 -1.26 -1.29 119.66 118.38 2frg s GLN 27 Ca 0.10 -0.65 -0.08 0.00 -1.95 0.00 0.00 55.36 52.79 2frg s GLN 27 Cb -0.10 -1.93 0.03 0.00 -0.22 0.00 0.00 33.01 30.79 2frg s GLN 27 CO 0.02 0.04 0.24 0.00 -0.25 0.00 0.00 175.29 175.35 2frg s ALA 28 N 0.68 -0.59 0.71 6.09 0.00 -0.44 -4.98 121.76 123.23 2frg s ALA 28 Ca -0.13 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 2frg s ALA 28 Cb -0.16 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.53 2frg s ALA 28 CO 0.03 -0.13 1.07 -1.25 0.00 0.00 0.00 175.76 175.48 2frg s PRO 29 N 0.35 2.81 0.31 0.00 0.04 -1.26 -0.94 135.00 136.31 2frg s PRO 29 Ca -0.02 0.83 -0.29 0.00 0.04 0.00 0.00 61.00 61.56 2frg s PRO 29 Cb -0.03 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 2frg s PRO 29 CO -0.01 -1.16 1.40 0.28 0.04 0.00 0.00 177.00 177.55 2frg n VAL 30 N -3.15 1.51 -0.04 -0.36 0.31 -1.26 -2.22 118.33 113.11 2frg n VAL 30 Ca 0.07 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2frg n VAL 30 Cb 0.54 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 2frg n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2frg n GLY 31 N 1.40 0.88 3.94 2.92 0.00 0.61 -4.91 105.19 110.03 2frg n GLY 31 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 2frg n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2frg s SER 32 N -2.67 4.98 0.13 1.61 1.04 -0.94 -4.30 113.70 113.55 2frg s SER 32 Ca 0.00 0.39 0.08 0.00 0.48 0.00 0.00 55.95 56.89 2frg s SER 32 Cb 0.00 -1.12 -0.04 0.00 0.10 0.00 0.00 66.02 64.96 2frg s SER 32 CO 0.00 -1.45 -0.18 -0.44 0.98 0.00 0.00 173.24 172.15 2frg s SER 33 N -4.48 2.44 0.06 7.02 0.01 -1.26 -0.10 113.70 117.39 2frg s SER 33 Ca 0.59 -0.78 0.03 0.00 1.31 0.00 0.00 55.95 57.10 2frg s SER 33 Cb -0.11 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 2frg s SER 33 CO 0.43 -0.03 -0.08 0.27 0.41 0.00 0.00 173.24 174.24 2frg s ILE 34 N -1.73 0.65 -0.11 1.44 -4.36 0.20 -4.99 121.20 112.30 2frg s ILE 34 Ca 0.10 -1.26 0.03 0.00 -0.26 0.00 0.00 60.65 59.26 2frg s ILE 34 Cb -0.07 -0.86 0.01 0.00 1.25 0.00 0.00 42.46 42.79 2frg s ILE 34 CO 0.05 -0.45 -0.21 -0.76 0.24 0.00 0.00 174.94 173.81 2frg s LEU 35 N -1.86 2.01 0.00 0.37 1.43 -1.26 -1.93 118.68 117.44 2frg s LEU 35 Ca -0.05 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 52.58 2frg s LEU 35 Cb -0.07 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 2frg s LEU 35 CO -0.00 0.10 -0.22 -0.69 0.23 0.00 0.00 176.35 175.77 2frg s VAL 36 N 0.62 1.76 -0.14 -1.59 1.01 -0.35 -5.01 120.40 116.71 2frg s VAL 36 Ca -0.13 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.84 2frg s VAL 36 Cb -0.17 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.75 2frg s VAL 36 CO 0.03 0.42 -0.22 0.00 0.00 0.00 0.00 175.10 175.34 2frg s GLN 37 N -0.72 3.04 0.18 2.72 0.00 -1.26 -0.19 119.66 123.44 2frg s GLN 37 Ca 0.09 -0.85 0.06 0.00 -0.00 0.00 0.00 55.36 54.66 2frg s GLN 37 Cb -0.09 -2.44 -0.04 0.00 0.00 0.00 0.00 33.01 30.44 2frg s GLN 37 CO -0.00 0.00 0.08 0.00 0.00 0.00 0.00 175.29 175.37 2frg s HIS 39 N -1.82 0.99 0.23 0.00 3.76 -1.26 -0.79 115.29 116.40 2frg s HIS 39 Ca 0.30 -0.22 0.03 0.00 -0.15 0.00 0.00 55.06 55.02 2frg s HIS 39 Cb -0.09 -0.66 -0.05 0.00 1.11 0.00 0.00 32.58 32.88 2frg s HIS 39 CO 0.21 -0.05 0.01 1.52 -0.85 0.00 0.00 174.74 175.58 2frg s TYR 40 N -0.07 1.51 0.41 1.40 1.13 -0.33 -4.91 117.35 116.50 2frg s TYR 40 Ca 0.01 -0.96 -0.24 0.00 -1.41 0.00 0.00 57.07 54.47 2frg s TYR 40 Cb -0.06 -0.88 -0.09 0.00 -1.10 0.00 0.00 41.96 39.83 2frg s TYR 40 CO 0.00 -0.09 1.07 1.03 -2.51 0.00 0.00 175.55 175.04 2frg s ARG 41 N -3.89 4.11 0.48 -3.49 0.52 -1.26 -4.40 118.95 111.03 2frg s ARG 41 Ca 0.29 1.55 0.17 0.00 -0.52 0.00 0.00 55.73 57.21 2frg s ARG 41 Cb 0.06 -2.52 1.17 0.00 0.52 0.00 0.00 34.95 34.18 2frg s ARG 41 CO 0.09 -0.20 2.04 -0.07 0.02 0.00 0.00 175.30 177.18 2frg h LEU 42 N 2.44 0.18 -2.73 2.53 3.38 -1.96 0.11 115.31 119.27 2frg h LEU 42 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2frg h LEU 42 Cb 1.22 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2frg h LEU 42 CO 0.62 0.12 0.09 1.56 0.09 0.00 0.00 178.44 180.92 2frg h GLN 43 N 0.21 0.00 -0.34 1.13 7.50 -2.01 -2.82 115.11 118.78 2frg h GLN 43 Ca 0.18 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.33 2frg h GLN 43 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.99 2frg h GLN 43 CO -0.03 0.00 0.00 -0.25 -1.50 0.00 0.00 178.83 177.05 2frg n ASP 44 N -3.05 4.00 -0.36 1.46 10.43 0.38 -4.63 116.55 124.79 2frg n ASP 44 Ca -0.03 -2.79 0.06 0.00 2.57 0.00 0.00 54.79 54.60 2frg n ASP 44 Cb 0.15 -0.51 0.23 0.00 1.84 0.00 0.00 41.12 42.83 2frg n ASP 44 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 2frg h VAL 45 N 2.26 0.97 0.00 2.53 2.07 -1.59 -2.36 116.25 120.13 2frg h VAL 45 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2frg h VAL 45 Cb 1.38 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2frg h VAL 45 CO 0.22 0.19 0.00 0.11 0.02 0.00 0.00 177.57 178.11 2frg h LYS 46 N 1.04 0.00 -7.05 1.57 1.57 -1.87 -3.46 116.57 108.38 2frg h LYS 46 Ca 0.48 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.78 2frg h LYS 46 Cb 0.40 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.74 2frg h LYS 46 CO -0.23 0.00 0.40 0.00 -0.57 0.00 0.00 179.45 179.05 2frg s ALA 47 N -3.24 2.89 0.45 3.86 0.00 -0.89 -5.02 121.76 119.81 2frg s ALA 47 Ca 0.07 0.68 -0.22 0.00 0.00 0.00 0.00 51.96 52.49 2frg s ALA 47 Cb 0.09 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 2frg s ALA 47 CO 0.58 -0.38 1.08 1.14 0.00 0.00 0.00 175.76 178.19 2frg s GLN 48 N -3.06 3.91 0.30 0.00 -2.07 -1.26 -4.90 119.66 112.58 2frg s GLN 48 Ca 0.66 1.56 0.10 0.00 -1.82 0.00 0.00 55.36 55.85 2frg s GLN 48 Cb -0.19 -2.36 -0.05 0.00 -1.09 0.00 0.00 33.01 29.32 2frg s GLN 48 CO 0.23 -0.38 -0.02 0.15 -1.32 0.00 0.00 175.29 173.96 2frg s LYS 49 N -2.78 2.12 -0.00 9.60 3.01 -1.26 -1.08 119.74 129.34 2frg s LYS 49 Ca 0.63 -1.62 0.00 0.00 -1.01 0.00 0.00 55.97 53.98 2frg s LYS 49 Cb -0.23 -2.01 -0.00 0.00 -1.01 0.00 0.00 37.83 34.59 2frg s LYS 49 CO 0.28 0.25 -0.01 0.08 0.51 0.00 0.00 175.35 176.45 2frg s VAL 50 N -2.44 0.10 -0.21 3.17 1.01 0.15 -0.65 120.40 121.53 2frg s VAL 50 Ca 0.33 -0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 2frg s VAL 50 Cb -0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 2frg s VAL 50 CO 0.19 0.01 0.10 0.86 0.00 0.00 0.00 175.10 176.27 2frg s TRP 51 N -0.07 3.28 0.09 5.22 -0.11 -0.56 -0.60 118.94 126.19 2frg s TRP 51 Ca 0.00 0.11 0.03 0.00 1.22 0.00 0.00 56.10 57.45 2frg s TRP 51 Cb -0.01 -2.16 -0.04 0.00 -1.50 0.00 0.00 33.47 29.76 2frg s TRP 51 CO -0.00 0.10 -0.08 0.00 -4.62 0.00 0.00 176.95 172.35 2frg s ARG 53 N -3.22 3.57 -0.17 0.00 3.52 -0.19 -0.53 118.95 121.93 2frg s ARG 53 Ca 0.07 -0.57 -0.29 0.00 -0.13 0.00 0.00 55.73 54.82 2frg s ARG 53 Cb 0.01 -2.88 -0.02 0.00 -1.56 0.00 0.00 34.95 30.49 2frg s ARG 53 CO -0.02 0.16 1.45 -0.06 -0.81 0.00 0.00 175.30 176.02 2frg s PHE 54 N 0.55 2.42 0.35 5.12 0.40 0.22 -0.14 117.98 126.91 2frg s PHE 54 Ca -0.04 0.67 0.05 0.00 -0.60 0.00 0.00 56.93 57.01 2frg s PHE 54 Cb -0.15 -3.79 -0.07 0.00 0.51 0.00 0.00 43.02 39.53 2frg s PHE 54 CO 0.03 -2.54 0.05 -0.51 0.70 0.00 0.00 175.22 172.94 2frg s LEU 55 N 4.20 2.36 0.49 -0.37 1.43 -0.30 -4.65 118.68 121.83 2frg s LEU 55 Ca 0.64 -1.38 0.24 0.00 -1.03 0.00 0.00 54.13 52.60 2frg s LEU 55 Cb -0.25 -0.52 1.29 0.00 0.03 0.00 0.00 46.19 46.75 2frg s LEU 55 CO 0.23 -0.57 1.91 -0.65 0.23 0.00 0.00 176.35 177.50 2frg h PRO 56 N 2.01 0.16 0.00 1.29 0.11 -2.04 -1.81 132.00 131.73 2frg h PRO 56 Ca -0.42 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.51 2frg h PRO 56 Cb 1.24 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2frg h PRO 56 CO 0.72 0.11 -0.81 1.49 -0.21 0.00 0.00 178.00 179.30 2frg h GLU 57 N 0.17 0.00 0.00 1.05 4.57 -1.98 -3.50 114.58 114.89 2frg h GLU 57 Ca 0.39 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 2frg h GLU 57 Cb 1.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 2frg h GLU 57 CO -0.07 0.81 0.00 0.41 -1.18 0.00 0.00 179.01 178.98 2frg n GLY 58 N 1.14 -1.79 3.53 1.92 0.00 -0.68 -5.06 105.19 104.25 2frg n GLY 58 Ca 0.00 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 2frg n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2frg s GLN 60 N 4.78 4.11 0.23 0.00 2.00 0.80 -4.69 119.66 126.89 2frg s GLN 60 Ca 0.33 1.51 -0.31 0.00 -2.00 0.00 0.00 55.36 54.90 2frg s GLN 60 Cb -0.11 -3.81 -0.11 0.00 0.80 0.00 0.00 33.01 29.79 2frg s GLN 60 CO 0.18 -0.86 1.58 -2.14 -0.50 0.00 0.00 175.29 173.55 2frg s PRO 61 N 3.75 4.18 -0.16 1.67 0.02 -1.26 -1.02 135.00 142.18 2frg s PRO 61 Ca 0.55 2.47 0.05 0.00 0.02 0.00 0.00 61.00 64.09 2frg s PRO 61 Cb -0.20 -3.09 -0.13 0.00 0.02 0.00 0.00 34.50 31.10 2frg s PRO 61 CO 0.18 -0.61 -0.09 1.28 -0.33 0.00 0.00 177.00 177.43 2frg n LEU 62 N 3.10 1.99 -3.55 -5.54 4.77 0.37 -4.92 117.00 113.23 2frg n LEU 62 Ca 0.11 -0.06 -0.17 0.00 -0.03 0.00 0.00 56.01 55.86 2frg n LEU 62 Cb 0.38 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 2frg n LEU 62 CO 0.62 0.64 0.45 0.54 -1.33 0.00 0.00 177.39 178.32 2frg s VAL 63 N -2.34 0.00 0.29 4.08 0.11 -1.13 -4.78 120.40 116.63 2frg s VAL 63 Ca -0.18 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 58.95 2frg s VAL 63 Cb 0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 2frg s VAL 63 CO 0.45 0.00 0.19 -0.94 -3.33 0.00 0.00 175.10 171.47 2frg s SER 64 N -0.82 5.23 0.33 3.54 1.04 -1.26 -1.50 113.70 120.26 2frg s SER 64 Ca -0.08 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 55.94 2frg s SER 64 Cb -0.01 -1.13 -0.03 0.00 0.10 0.00 0.00 66.02 64.95 2frg s SER 64 CO 0.07 -0.14 0.52 -0.94 0.98 0.00 0.00 173.24 173.72 2frg s SER 65 N -3.86 6.22 -0.08 7.02 1.04 0.18 -4.88 113.70 119.34 2frg s SER 65 Ca 0.35 0.30 -0.07 0.00 0.48 0.00 0.00 55.95 57.01 2frg s SER 65 Cb -0.07 -1.87 0.03 0.00 0.10 0.00 0.00 66.02 64.21 2frg s SER 65 CO 0.24 -0.30 0.21 0.00 0.98 0.00 0.00 173.24 174.37 2frg s ALA 66 N -2.26 -0.50 0.15 5.32 0.00 -1.26 -4.57 121.76 118.64 2frg s ALA 66 Ca 0.40 0.65 -0.31 0.00 0.00 0.00 0.00 51.96 52.70 2frg s ALA 66 Cb -0.09 -0.39 -0.11 0.00 0.00 0.00 0.00 23.12 22.53 2frg s ALA 66 CO 0.34 -0.12 1.81 0.08 0.00 0.00 0.00 175.76 177.87 2frg s VAL 67 N 0.36 2.35 0.00 0.00 1.01 -1.26 -1.48 120.40 121.37 2frg s VAL 67 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2frg s VAL 67 Cb -0.03 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.33 2frg s VAL 67 CO -0.01 0.00 0.00 -0.67 0.00 0.00 0.00 175.10 174.42 2frg n ASP 68 N 5.17 -1.03 -4.77 3.32 2.03 0.11 -5.00 116.55 116.38 2frg n ASP 68 Ca 0.17 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.12 2frg n ASP 68 Cb 0.37 -0.92 -0.08 0.00 -0.72 0.00 0.00 41.12 39.77 2frg n ASP 68 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2frg s ARG 69 N -0.38 3.58 -0.54 -0.67 1.81 -0.55 -4.98 118.95 117.21 2frg s ARG 69 Ca 0.00 -0.23 -0.24 0.00 -1.72 0.00 0.00 55.73 53.54 2frg s ARG 69 Cb 0.00 -3.16 0.04 0.00 -0.45 0.00 0.00 34.95 31.38 2frg s ARG 69 CO 0.00 0.60 0.91 0.50 -0.68 0.00 0.00 175.30 176.63 2frg s ARG 70 N -0.52 3.32 -0.29 3.54 3.52 -1.26 -4.12 118.95 123.13 2frg s ARG 70 Ca 0.11 -0.31 -0.13 0.00 -0.13 0.00 0.00 55.73 55.28 2frg s ARG 70 Cb -0.12 -4.05 -0.04 0.00 -1.56 0.00 0.00 34.95 29.18 2frg s ARG 70 CO 0.02 -1.45 0.28 0.00 -0.81 0.00 0.00 175.30 173.33 2frg s ALA 71 N 3.83 3.53 0.26 6.12 0.00 -0.21 -4.89 121.76 130.40 2frg s ALA 71 Ca 0.29 -1.06 -0.28 0.00 0.00 0.00 0.00 51.96 50.92 2frg s ALA 71 Cb -0.13 -2.62 -0.09 0.00 0.00 0.00 0.00 23.12 20.28 2frg s ALA 71 CO 0.19 -0.71 0.92 -2.14 0.00 0.00 0.00 175.76 174.02 2frg s PRO 72 N 1.89 4.72 -0.03 0.00 0.02 -1.26 -0.69 135.00 139.65 2frg s PRO 72 Ca 0.10 1.38 0.05 0.00 0.02 0.00 0.00 61.00 62.56 2frg s PRO 72 Cb -0.16 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.22 2frg s PRO 72 CO 0.11 0.45 -0.18 0.00 -0.33 0.00 0.00 177.00 177.04 2frg s ALA 73 N -1.32 2.51 0.00 -1.55 0.00 0.43 -4.84 121.76 116.99 2frg s ALA 73 Ca 0.43 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2frg s ALA 73 Cb -0.23 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.07 2frg s ALA 73 CO 0.28 0.55 0.00 0.41 0.00 0.00 0.00 175.76 177.01 2frg n GLY 74 N 2.25 2.52 0.00 0.00 0.00 -1.26 -2.60 105.19 106.10 2frg n GLY 74 Ca -0.17 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.64 2frg n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2frg n ARG 75 N 14.00 2.47 0.00 1.61 1.74 -1.26 -4.77 116.66 130.45 2frg n ARG 75 Ca 0.00 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2frg n ARG 75 Cb 0.00 -0.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 2frg n ARG 75 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2frg n ARG 76 N -1.45 0.36 -5.04 5.56 1.74 -1.24 -5.01 116.66 111.57 2frg n ARG 76 Ca -0.00 -0.56 -0.28 0.00 -0.77 0.00 0.00 57.85 56.24 2frg n ARG 76 Cb 0.14 -0.74 -0.16 0.00 -1.02 0.00 0.00 32.46 30.69 2frg n ARG 76 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2frg s THR 77 N -0.21 1.72 -0.01 0.55 2.01 -1.07 -0.52 115.64 118.11 2frg s THR 77 Ca 0.00 -0.96 -0.00 0.00 0.31 0.00 0.00 61.69 61.04 2frg s THR 77 Cb 0.00 -1.44 0.01 0.00 0.01 0.00 0.00 72.50 71.08 2frg s THR 77 CO 0.00 0.46 0.02 -0.36 -0.69 0.00 0.00 174.62 174.05 2frg s PHE 78 N -0.54 -0.01 -0.19 4.92 0.40 -0.36 -0.42 117.98 121.77 2frg s PHE 78 Ca 0.08 0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 2frg s PHE 78 Cb -0.08 -0.04 0.02 0.00 0.51 0.00 0.00 43.02 43.43 2frg s PHE 78 CO -0.01 -0.03 -0.18 -1.17 0.70 0.00 0.00 175.22 174.54 2frg s LEU 79 N 0.25 2.35 -0.20 -0.37 2.96 0.14 -1.09 118.68 122.71 2frg s LEU 79 Ca -0.02 -0.75 0.01 0.00 -0.22 0.00 0.00 54.13 53.15 2frg s LEU 79 Cb -0.03 -1.50 0.04 0.00 0.50 0.00 0.00 46.19 45.20 2frg s LEU 79 CO -0.01 -0.03 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.00 2frg s THR 80 N 1.27 1.66 -0.44 3.68 2.01 0.38 -1.05 115.64 123.15 2frg s THR 80 Ca 0.03 -1.01 -0.26 0.00 0.31 0.00 0.00 61.69 60.76 2frg s THR 80 Cb -0.14 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.67 2frg s THR 80 CO -0.11 0.19 0.98 -0.62 -0.69 0.00 0.00 174.62 174.36 2frg s ASP 81 N 1.39 6.58 0.00 3.53 -1.08 -1.26 -0.62 116.67 125.21 2frg s ASP 81 Ca -0.01 0.33 0.26 0.00 -0.52 0.00 0.00 52.55 52.61 2frg s ASP 81 Cb -0.16 -2.48 1.19 0.00 -1.46 0.00 0.00 42.92 40.01 2frg s ASP 81 CO -0.08 -1.05 1.86 0.18 0.52 0.00 0.00 175.17 176.60 2frg n LEU 82 N 7.24 0.00 0.00 -1.34 7.99 -0.15 0.09 117.00 130.82 2frg n LEU 82 Ca 0.08 0.43 0.00 0.00 -0.01 0.00 0.00 56.01 56.51 2frg n LEU 82 Cb 0.48 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 2frg n LEU 82 CO 0.65 -0.04 0.00 0.61 -1.51 0.00 0.00 177.39 177.09 2frg n GLY 83 N 1.13 -0.79 2.83 -0.72 0.00 -1.25 -4.70 105.19 101.69 2frg n GLY 83 Ca 0.08 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.33 2frg n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2frg n GLY 84 N -0.86 0.74 0.00 -0.02 0.00 -1.26 -2.32 105.19 101.48 2frg n GLY 84 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2frg n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2frg n GLY 85 N 0.38 0.37 3.64 -0.02 0.00 -1.26 -4.89 105.19 103.41 2frg n GLY 85 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 2frg n GLY 85 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2frg s LEU 86 N 0.00 4.09 -0.38 0.99 2.96 -0.98 -1.18 118.68 124.17 2frg s LEU 86 Ca 0.00 0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.97 2frg s LEU 86 Cb 0.00 -2.12 0.10 0.00 0.50 0.00 0.00 46.19 44.67 2frg s LEU 86 CO 0.00 0.03 0.15 -0.22 -1.32 0.00 0.00 176.35 174.98 2frg s LEU 87 N 1.28 4.93 -0.05 -0.68 2.96 0.03 -0.98 118.68 126.17 2frg s LEU 87 Ca 0.08 -1.89 -0.26 0.00 -0.22 0.00 0.00 54.13 51.84 2frg s LEU 87 Cb -0.14 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 2frg s LEU 87 CO 0.07 -0.47 0.81 -1.58 -1.32 0.00 0.00 176.35 173.86 2frg s GLN 88 N 1.14 4.47 -0.06 1.98 2.00 0.21 -0.58 119.66 128.81 2frg s GLN 88 Ca 0.06 1.09 0.03 0.00 -2.00 0.00 0.00 55.36 54.54 2frg s GLN 88 Cb -0.22 -3.46 -0.02 0.00 0.80 0.00 0.00 33.01 30.10 2frg s GLN 88 CO -0.04 -0.02 -0.14 0.08 -0.50 0.00 0.00 175.29 174.68 2frg s VAL 89 N 1.01 3.09 -0.07 1.34 1.01 0.74 -0.47 120.40 127.04 2frg s VAL 89 Ca 0.43 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2frg s VAL 89 Cb -0.19 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 33.97 2frg s VAL 89 CO 0.21 0.58 -0.18 -1.61 0.00 0.00 0.00 175.10 174.10 2frg s GLU 90 N -0.55 2.21 -0.12 2.72 2.02 -0.25 -1.21 118.70 123.52 2frg s GLU 90 Ca 0.08 -0.65 -0.00 0.00 0.02 0.00 0.00 54.97 54.41 2frg s GLU 90 Cb -0.12 -1.78 0.02 0.00 0.10 0.00 0.00 34.13 32.35 2frg s GLU 90 CO 0.01 0.17 -0.10 -1.64 0.02 0.00 0.00 175.26 173.72 2frg s MET 91 N 0.32 1.74 0.04 1.61 -1.94 -0.81 -1.22 119.30 119.03 2frg s MET 91 Ca -0.12 -0.34 0.06 0.00 -1.71 0.00 0.00 55.69 53.58 2frg s MET 91 Cb -0.15 -1.72 -0.03 0.00 2.01 0.00 0.00 34.83 34.94 2frg s MET 91 CO 0.05 -0.24 -0.15 0.14 -0.01 0.00 0.00 175.02 174.81 2frg s VAL 92 N 1.60 3.04 -1.02 -6.03 -7.23 0.32 -0.63 120.40 110.45 2frg s VAL 92 Ca 0.04 -1.09 -0.17 0.00 -1.81 0.00 0.00 61.98 58.95 2frg s VAL 92 Cb -0.13 -2.30 0.02 0.00 0.56 0.00 0.00 36.38 34.52 2frg s VAL 92 CO -0.08 0.33 0.67 0.35 -0.31 0.00 0.00 175.10 176.06 2frg n THR 93 N 1.48 -3.90 -1.77 5.32 -2.24 -0.93 -4.79 114.28 107.46 2frg n THR 93 Ca -0.16 -0.40 -0.40 0.00 -2.27 0.00 0.00 64.05 60.83 2frg n THR 93 Cb 0.52 -3.14 0.02 0.00 -2.10 0.00 0.00 70.33 65.64 2frg n THR 93 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2frg s LEU 94 N -6.11 4.04 0.27 3.22 1.43 0.85 -4.50 118.68 117.88 2frg s LEU 94 Ca 0.26 2.92 0.10 0.00 -1.03 0.00 0.00 54.13 56.38 2frg s LEU 94 Cb -0.13 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.03 2frg s LEU 94 CO 0.91 -1.30 -0.06 -1.10 0.23 0.00 0.00 176.35 175.03 2frg s GLN 95 N -2.57 2.12 0.28 1.70 -0.21 -1.26 -0.28 119.66 119.43 2frg s GLN 95 Ca 0.64 -1.50 0.02 0.00 0.02 0.00 0.00 55.36 54.53 2frg s GLN 95 Cb -0.44 -2.06 0.60 0.00 1.00 0.00 0.00 33.01 32.11 2frg s GLN 95 CO 0.55 0.36 1.79 1.49 -2.12 0.00 0.00 175.29 177.36 2frg h GLU 96 N 2.04 0.74 0.00 2.91 4.81 -1.98 -0.70 114.58 122.40 2frg h GLU 96 Ca -0.43 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2frg h GLU 96 Cb 1.25 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2frg h GLU 96 CO 0.60 0.49 0.00 -0.85 -0.73 0.00 0.00 179.01 178.52 2frg n GLU 97 N -4.77 0.07 0.13 1.92 0.00 -1.26 -2.23 120.64 114.49 2frg n GLU 97 Ca 0.19 0.18 0.13 0.00 0.00 0.00 0.00 57.16 57.66 2frg n GLU 97 Cb 0.45 -1.50 0.45 0.00 0.00 0.00 0.00 31.44 30.84 2frg n GLU 97 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2frg h ASP 98 N 0.00 0.00 -3.18 -1.84 3.32 -1.53 -3.46 116.42 109.74 2frg h ASP 98 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 2frg h ASP 98 Cb 0.26 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.91 2frg h ASP 98 CO 0.00 0.00 0.67 0.00 -1.72 0.00 0.00 179.24 178.19 2frg n ALA 99 N -1.80 1.71 0.00 3.45 0.00 -0.95 -4.86 120.51 118.06 2frg n ALA 99 Ca 0.04 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2frg n ALA 99 Cb 0.34 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.45 2frg n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2frg n GLY 100 N 1.53 -0.52 3.37 0.00 0.00 -0.55 -5.01 105.19 104.01 2frg n GLY 100 Ca 0.07 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 2frg n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2frg s GLU 101 N -2.00 2.05 0.18 1.61 2.12 -1.26 -0.33 118.70 121.07 2frg s GLU 101 Ca 0.00 -0.97 0.05 0.00 0.36 0.00 0.00 54.97 54.41 2frg s GLU 101 Cb 0.00 -2.09 -0.05 0.00 0.26 0.00 0.00 34.13 32.25 2frg s GLU 101 CO 0.00 0.55 -0.09 0.71 -0.54 0.00 0.00 175.26 175.89 2frg s TYR 102 N -0.75 1.43 0.07 5.30 2.02 -0.03 -0.61 117.35 124.78 2frg s TYR 102 Ca 0.12 -0.75 0.04 0.00 -0.37 0.00 0.00 57.07 56.11 2frg s TYR 102 Cb -0.10 -0.74 -0.03 0.00 -0.40 0.00 0.00 41.96 40.69 2frg s TYR 102 CO 0.01 0.13 -0.11 0.20 -1.57 0.00 0.00 175.55 174.21 2frg s GLY 103 N -3.23 0.76 -0.19 0.71 0.00 0.31 -0.86 107.32 104.81 2frg s GLY 103 Ca 0.20 -0.99 -0.09 0.00 0.00 0.00 0.00 44.72 43.84 2frg s GLY 103 CO 0.04 -1.04 0.11 0.00 0.00 0.00 0.00 173.10 172.21 2frg s MET 105 N 0.29 1.11 -0.11 0.00 -1.94 0.23 -0.07 119.30 118.81 2frg s MET 105 Ca 0.07 -1.18 -0.03 0.00 -1.71 0.00 0.00 55.69 52.83 2frg s MET 105 Cb -0.11 -1.32 -0.03 0.00 2.01 0.00 0.00 34.83 35.37 2frg s MET 105 CO -0.01 0.30 0.02 0.54 -0.01 0.00 0.00 175.02 175.86 2frg s VAL 106 N -1.32 4.50 -0.46 -6.03 0.11 -0.31 -0.68 120.40 116.20 2frg s VAL 106 Ca 0.07 -0.17 0.09 0.00 -2.93 0.00 0.00 61.98 59.04 2frg s VAL 106 Cb -0.09 -2.93 0.34 0.00 -1.53 0.00 0.00 36.38 32.17 2frg s VAL 106 CO 0.04 0.58 0.81 -0.67 -3.33 0.00 0.00 175.10 172.54 2frg n ASP 107 N 2.41 2.38 -1.05 3.54 4.64 -0.24 -1.62 116.55 126.60 2frg n ASP 107 Ca -0.18 -3.29 0.00 0.00 -1.38 0.00 0.00 54.79 49.94 2frg n ASP 107 Cb 0.54 -0.60 0.00 0.00 -1.04 0.00 0.00 41.12 40.02 2frg n ASP 107 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2frg n GLY 108 N 0.11 2.85 0.28 0.27 0.00 -1.26 -4.33 105.19 103.11 2frg n GLY 108 Ca 0.27 -2.10 0.17 0.00 0.00 0.00 0.00 46.02 44.37 2frg n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2frg h ALA 109 N 0.07 1.03 -0.41 4.61 0.00 -1.99 -2.01 119.26 120.56 2frg h ALA 109 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2frg h ALA 109 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2frg h ALA 109 CO 0.00 0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.84 2frg n ARG 110 N -3.17 1.99 0.00 0.00 1.74 -1.26 -5.03 116.66 110.93 2frg n ARG 110 Ca -0.00 -1.48 0.00 0.00 -0.77 0.00 0.00 57.85 55.60 2frg n ARG 110 Cb 0.28 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 2frg n ARG 110 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2frg n GLY 111 N 1.12 2.43 3.81 -0.13 0.00 -0.76 -5.03 105.19 106.63 2frg n GLY 111 Ca 0.14 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 2frg n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2frg s PRO 112 N -3.31 4.27 0.02 1.61 0.04 -1.26 -4.33 135.00 132.04 2frg s PRO 112 Ca 0.00 1.23 0.01 0.00 0.04 0.00 0.00 61.00 62.27 2frg s PRO 112 Cb 0.00 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 2frg s PRO 112 CO 0.00 -0.00 -0.04 -0.65 0.04 0.00 0.00 177.00 176.35 2frg s GLN 113 N -2.86 0.32 -0.30 4.56 -0.21 -0.64 -5.00 119.66 115.53 2frg s GLN 113 Ca 0.59 -0.43 -0.23 0.00 0.02 0.00 0.00 55.36 55.31 2frg s GLN 113 Cb -0.13 -0.12 -0.00 0.00 1.00 0.00 0.00 33.01 33.76 2frg s GLN 113 CO 0.17 0.02 0.78 0.42 -2.12 0.00 0.00 175.29 174.56 2frg s ILE 114 N -0.85 4.81 0.09 1.08 -1.09 -1.26 -1.17 121.20 122.80 2frg s ILE 114 Ca -0.07 1.18 -0.07 0.00 -2.23 0.00 0.00 60.65 59.46 2frg s ILE 114 Cb -0.06 -4.13 -0.26 0.00 -1.58 0.00 0.00 42.46 36.43 2frg s ILE 114 CO -0.00 -0.23 1.18 -0.07 -1.23 0.00 0.00 174.94 174.59 2frg h LEU 115 N 9.42 0.55 -7.00 2.97 3.38 -0.83 -3.49 115.31 120.31 2frg h LEU 115 Ca -0.24 -0.53 0.08 0.00 0.09 0.00 0.00 57.88 57.28 2frg h LEU 115 Cb 1.10 -0.18 -0.25 0.00 0.09 0.00 0.00 40.66 41.42 2frg h LEU 115 CO 0.88 1.37 0.53 -2.28 0.09 0.00 0.00 178.44 179.03 2frg s HIS 116 N -2.89 -0.39 0.10 1.13 5.04 -1.18 -4.86 115.29 112.23 2frg s HIS 116 Ca -0.06 0.83 0.09 0.00 -1.54 0.00 0.00 55.06 54.39 2frg s HIS 116 Cb 0.07 0.41 -0.04 0.00 0.04 0.00 0.00 32.58 33.07 2frg s HIS 116 CO 0.89 -0.27 -0.21 1.03 -2.34 0.00 0.00 174.74 173.85 2frg s ARG 117 N -0.44 1.77 -0.12 2.88 0.52 -1.26 -1.43 118.95 120.87 2frg s ARG 117 Ca 0.01 -1.16 -0.01 0.00 -0.52 0.00 0.00 55.73 54.05 2frg s ARG 117 Cb -0.03 -2.08 0.04 0.00 0.52 0.00 0.00 34.95 33.40 2frg s ARG 117 CO -0.03 0.49 -0.02 0.08 0.02 0.00 0.00 175.30 175.84 2frg s VAL 118 N -1.05 0.69 -0.32 3.52 1.01 -0.04 -0.97 120.40 123.23 2frg s VAL 118 Ca 0.16 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 2frg s VAL 118 Cb -0.10 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 2frg s VAL 118 CO 0.07 0.16 0.43 -0.55 0.00 0.00 0.00 175.10 175.22 2frg s SER 119 N 1.83 6.26 -0.26 3.32 0.15 0.14 -0.86 113.70 124.28 2frg s SER 119 Ca 0.03 0.01 -0.05 0.00 0.70 0.00 0.00 55.95 56.63 2frg s SER 119 Cb -0.14 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2frg s SER 119 CO -0.07 -0.36 0.03 -0.22 1.20 0.00 0.00 173.24 173.82 2frg s LEU 120 N 2.19 3.47 -0.20 3.45 2.96 0.55 -0.84 118.68 130.27 2frg s LEU 120 Ca 0.16 -0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 53.43 2frg s LEU 120 Cb -0.16 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 2frg s LEU 120 CO 0.12 -0.12 -0.03 0.20 -1.32 0.00 0.00 176.35 175.19 2frg s ASN 121 N 1.48 4.49 -0.25 3.68 0.01 -0.41 -1.48 114.94 122.46 2frg s ASN 121 Ca 0.03 -0.30 -0.16 0.00 -0.71 0.00 0.00 52.86 51.73 2frg s ASN 121 Cb -0.16 -1.76 -0.04 0.00 0.41 0.00 0.00 41.25 39.70 2frg s ASN 121 CO 0.00 0.04 0.40 -0.63 -1.51 0.00 0.00 177.10 175.40 2frg s ILE 122 N 1.14 5.17 0.41 0.60 -1.09 -1.26 -1.32 121.20 124.84 2frg s ILE 122 Ca 0.02 0.65 -0.25 0.00 -2.23 0.00 0.00 60.65 58.84 2frg s ILE 122 Cb -0.15 -3.72 -0.08 0.00 -1.58 0.00 0.00 42.46 36.93 2frg s ILE 122 CO -0.00 0.17 1.19 -0.76 -1.23 0.00 0.00 174.94 174.31 2frg s LEU 123 N 1.91 4.18 0.92 2.97 1.43 -0.11 -4.94 118.68 125.04 2frg s LEU 123 Ca 0.17 2.39 -0.10 0.00 -1.03 0.00 0.00 54.13 55.55 2frg s LEU 123 Cb -0.15 -4.03 0.15 0.00 0.03 0.00 0.00 46.19 42.19 2frg s LEU 123 CO 0.09 -0.73 1.12 -2.16 0.23 0.00 0.00 176.35 174.91 2frg s PRO 124 N -2.33 0.97 0.00 1.29 0.04 -1.26 -4.50 135.00 129.21 2frg s PRO 124 Ca 0.58 1.37 0.08 0.00 0.04 0.00 0.00 61.00 63.07 2frg s PRO 124 Cb -0.31 -1.73 0.45 0.00 0.04 0.00 0.00 34.50 32.94 2frg s PRO 124 CO 0.40 -2.61 0.91 -0.35 0.04 0.00 0.00 177.00 175.38