#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2brf s ARG 9 N 0.00 0.31 0.28 1.61 0.52 0.09 -4.98 118.95 116.78 2brf s ARG 9 Ca 0.00 -0.16 -0.25 0.00 -0.52 0.00 0.00 55.73 54.80 2brf s ARG 9 Cb 0.00 0.13 -0.09 0.00 0.52 0.00 0.00 34.95 35.51 2brf s ARG 9 CO 0.00 -0.06 0.88 -0.51 0.02 0.00 0.00 175.30 175.63 2brf s LEU 10 N -0.73 4.39 0.08 2.53 1.43 -1.26 -0.39 118.68 124.73 2brf s LEU 10 Ca -0.08 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 54.65 2brf s LEU 10 Cb -0.05 -3.82 0.01 0.00 0.03 0.00 0.00 46.19 42.36 2brf s LEU 10 CO 0.01 0.00 0.24 -1.66 0.23 0.00 0.00 176.35 175.17 2brf s TRP 11 N -1.51 0.04 -0.17 0.29 1.48 -0.26 -1.48 118.94 117.32 2brf s TRP 11 Ca 0.46 -0.39 -0.04 0.00 -1.06 0.00 0.00 56.10 55.07 2brf s TRP 11 Cb -0.19 0.02 -0.03 0.00 -1.16 0.00 0.00 33.47 32.11 2brf s TRP 11 CO 0.24 -0.55 -0.02 -0.51 -4.06 0.00 0.00 176.95 172.05 2brf s LEU 12 N -2.65 3.26 -0.24 -4.66 1.43 0.61 -0.43 118.68 115.99 2brf s LEU 12 Ca 0.02 -0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 52.86 2brf s LEU 12 Cb 0.03 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 2brf s LEU 12 CO -0.09 0.12 0.14 -0.70 0.23 0.00 0.00 176.35 176.05 2brf s GLU 13 N 0.63 3.99 0.61 1.70 2.12 -0.03 -2.09 118.70 125.62 2brf s GLU 13 Ca -0.02 -0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.02 2brf s GLU 13 Cb -0.14 -3.49 0.07 0.00 0.26 0.00 0.00 34.13 30.83 2brf s GLU 13 CO 0.02 0.02 0.85 -1.12 -0.54 0.00 0.00 175.26 174.49 2brf s SER 14 N 1.13 4.95 0.94 -1.70 0.01 -1.26 -1.03 113.70 116.74 2brf s SER 14 Ca 0.07 -0.22 -0.10 0.00 1.31 0.00 0.00 55.95 57.01 2brf s SER 14 Cb -0.14 -0.47 0.16 0.00 0.21 0.00 0.00 66.02 65.78 2brf s SER 14 CO 0.05 -1.40 1.14 -2.84 0.41 0.00 0.00 173.24 170.60 2brf s PRO 15 N -4.87 0.84 0.28 12.44 0.02 -1.26 -4.86 135.00 137.59 2brf s PRO 15 Ca 0.61 1.50 -0.30 0.00 0.02 0.00 0.00 61.00 62.82 2brf s PRO 15 Cb -0.08 -1.71 -0.12 0.00 0.02 0.00 0.00 34.50 32.60 2brf s PRO 15 CO 0.40 -2.74 1.51 -2.30 -0.33 0.00 0.00 177.00 173.54 2brf n PRO 16 N -4.31 2.43 -0.83 5.54 -0.02 -1.26 -1.33 135.00 135.22 2brf n PRO 16 Ca 0.11 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2brf n PRO 16 Cb 0.52 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2brf n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2brf n GLY 17 N 2.07 0.65 0.00 -1.23 0.00 -1.26 -4.96 105.19 100.46 2brf n GLY 17 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2brf n GLY 17 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2brf n GLU 18 N -1.99 2.64 -2.19 1.61 2.13 -0.44 -5.04 120.64 117.35 2brf n GLU 18 Ca 0.00 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.44 2brf n GLU 18 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 2brf n GLU 18 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2brf s ALA 19 N -3.24 3.00 0.95 4.31 0.00 -1.26 -4.99 121.76 120.52 2brf s ALA 19 Ca 0.00 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 2brf s ALA 19 Cb 0.00 -3.41 0.16 0.00 0.00 0.00 0.00 23.12 19.87 2brf s ALA 19 CO 0.00 -0.74 1.12 -2.14 0.00 0.00 0.00 175.76 174.00 2brf s PRO 20 N -2.64 0.78 0.09 0.00 0.02 -1.26 -4.33 135.00 127.67 2brf s PRO 20 Ca 0.63 1.35 -0.35 0.00 0.02 0.00 0.00 61.00 62.65 2brf s PRO 20 Cb -0.31 -1.71 -0.18 0.00 0.02 0.00 0.00 34.50 32.32 2brf s PRO 20 CO 0.38 -2.73 1.00 -2.30 -0.33 0.00 0.00 177.00 173.03 2brf n PRO 21 N -4.28 0.39 -3.79 5.54 -0.02 -1.26 -4.78 135.00 126.80 2brf n PRO 21 Ca 0.10 0.14 -0.37 0.00 -2.02 0.00 0.00 63.50 61.35 2brf n PRO 21 Cb 0.53 -1.55 -0.13 0.00 -0.02 0.00 0.00 33.50 32.33 2brf n PRO 21 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2brf s ILE 22 N -0.21 3.75 0.26 4.25 1.01 -0.89 -4.94 121.20 124.44 2brf s ILE 22 Ca 0.80 -0.85 -0.28 0.00 0.00 0.00 0.00 60.65 60.32 2brf s ILE 22 Cb -1.07 -2.98 -0.09 0.00 0.01 0.00 0.00 42.46 38.33 2brf s ILE 22 CO 0.55 0.04 0.92 -0.36 0.00 0.00 0.00 174.94 176.08 2brf s PHE 23 N 1.45 3.89 0.30 3.97 0.08 -1.26 -0.28 117.98 126.12 2brf s PHE 23 Ca 0.01 1.84 -0.29 0.00 0.12 0.00 0.00 56.93 58.61 2brf s PHE 23 Cb -0.18 -2.93 -0.09 0.00 -0.57 0.00 0.00 43.02 39.25 2brf s PHE 23 CO 0.01 0.39 1.10 -0.51 -0.10 0.00 0.00 175.22 176.11 2brf s LEU 24 N -1.45 4.50 0.69 -0.37 2.01 -0.55 -4.96 118.68 118.55 2brf s LEU 24 Ca 0.43 2.25 -0.15 0.00 0.01 0.00 0.00 54.13 56.67 2brf s LEU 24 Cb -0.23 -3.70 0.02 0.00 0.01 0.00 0.00 46.19 42.29 2brf s LEU 24 CO 0.29 -0.19 1.16 -2.84 1.01 0.00 0.00 176.35 175.78 2brf s PRO 25 N -1.58 2.46 0.83 1.29 0.02 -1.26 -4.85 135.00 131.90 2brf s PRO 25 Ca 0.46 1.61 -0.12 0.00 0.02 0.00 0.00 61.00 62.96 2brf s PRO 25 Cb -0.31 -1.89 0.10 0.00 0.02 0.00 0.00 34.50 32.42 2brf s PRO 25 CO 0.40 -1.56 1.20 -1.54 -0.33 0.00 0.00 177.00 175.16 2brf s SER 26 N -2.24 4.26 -1.66 2.53 1.04 -1.26 -4.53 113.70 111.84 2brf s SER 26 Ca 0.71 0.66 -0.00 0.00 0.48 0.00 0.00 55.95 57.80 2brf s SER 26 Cb -0.25 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 64.79 2brf s SER 26 CO 0.43 -2.04 0.04 0.47 0.98 0.00 0.00 173.24 173.11 2brf n ASP 27 N -3.38 -5.64 -0.26 7.02 8.00 -1.26 -2.37 116.55 118.66 2brf n ASP 27 Ca 0.09 -0.04 -0.03 0.00 0.71 0.00 0.00 54.79 55.52 2brf n ASP 27 Cb 0.61 -4.66 -0.01 0.00 -0.02 0.00 0.00 41.12 37.03 2brf n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2brf n GLY 28 N -1.05 0.52 3.77 0.44 0.00 -1.26 -4.97 105.19 102.64 2brf n GLY 28 Ca -0.22 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 2brf n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2brf s GLN 29 N -1.69 4.37 0.29 1.61 -1.52 -1.00 -4.88 119.66 116.84 2brf s GLN 29 Ca 0.00 1.80 -0.28 0.00 -1.95 0.00 0.00 55.36 54.93 2brf s GLN 29 Cb 0.00 -2.92 -0.09 0.00 -0.22 0.00 0.00 33.01 29.78 2brf s GLN 29 CO 0.00 -0.03 0.97 0.00 -0.25 0.00 0.00 175.29 175.97 2brf s ALA 30 N -1.32 3.28 -0.17 6.09 0.00 -1.26 -4.56 121.76 123.81 2brf s ALA 30 Ca 0.51 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 53.07 2brf s ALA 30 Cb -0.30 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 2brf s ALA 30 CO 0.39 0.13 -0.13 -1.17 0.00 0.00 0.00 175.76 174.98 2brf s LEU 31 N -1.67 2.57 -0.23 0.00 2.96 0.15 -4.94 118.68 117.53 2brf s LEU 31 Ca 0.46 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.85 2brf s LEU 31 Cb -0.23 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 2brf s LEU 31 CO 0.29 0.05 0.04 -0.69 -1.32 0.00 0.00 176.35 174.72 2brf s VAL 32 N 1.02 4.16 0.16 1.68 1.01 -1.26 -0.37 120.40 126.79 2brf s VAL 32 Ca -0.01 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.82 2brf s VAL 32 Cb -0.15 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2brf s VAL 32 CO -0.02 0.38 -0.06 -0.76 0.00 0.00 0.00 175.10 174.64 2brf s LEU 33 N 1.30 3.11 0.00 3.92 1.43 -0.27 -4.97 118.68 123.20 2brf s LEU 33 Ca 0.04 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2brf s LEU 33 Cb -0.15 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2brf s LEU 33 CO 0.02 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.33 2brf n GLY 34 N 0.18 1.21 3.77 -3.19 0.00 -1.22 -0.80 105.19 105.13 2brf n GLY 34 Ca -0.11 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 2brf n GLY 34 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2brf s ARG 35 N 1.09 4.39 0.00 1.61 1.70 -0.15 -4.46 118.95 123.12 2brf s ARG 35 Ca 0.00 1.57 0.00 0.00 -0.47 0.00 0.00 55.73 56.83 2brf s ARG 35 Cb 0.00 -2.80 0.00 0.00 -0.57 0.00 0.00 34.95 31.58 2brf s ARG 35 CO 0.00 0.05 0.00 0.41 -1.08 0.00 0.00 175.30 174.68 2brf n GLY 36 N 0.67 0.13 0.24 3.88 0.00 -0.28 -4.47 105.19 105.37 2brf n GLY 36 Ca 0.02 -1.77 0.08 0.00 0.00 0.00 0.00 46.02 44.36 2brf n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2brf h PRO 37 N 4.98 0.00 -0.14 1.61 0.13 -1.91 0.50 132.00 137.17 2brf h PRO 37 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2brf h PRO 37 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2brf h PRO 37 CO 0.00 0.15 -0.02 1.25 -0.23 0.00 0.00 178.00 179.15 2brf h LEU 38 N 0.00 0.26 -0.05 1.56 5.85 -1.92 -3.05 115.31 117.95 2brf h LEU 38 Ca -0.00 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2brf h LEU 38 Cb 0.29 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2brf h LEU 38 CO 0.02 0.54 -0.67 0.35 -0.34 0.00 0.00 178.44 178.34 2brf n THR 39 N -4.73 0.00 -1.30 1.05 -2.24 -1.19 -4.72 114.28 101.15 2brf n THR 39 Ca -0.06 -0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 2brf n THR 39 Cb 0.24 0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 68.98 2brf n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2brf n GLN 40 N -1.42 -1.15 -3.25 -0.78 6.02 0.16 -4.38 117.38 112.58 2brf n GLN 40 Ca 0.05 0.82 -0.39 0.00 -0.01 0.00 0.00 57.00 57.48 2brf n GLN 40 Cb 0.34 -4.93 -0.06 0.00 1.02 0.00 0.00 30.24 26.61 2brf n GLN 40 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2brf s VAL 41 N -2.16 5.03 -0.26 5.09 1.01 -1.17 -4.91 120.40 123.03 2brf s VAL 41 Ca 0.00 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.16 2brf s VAL 41 Cb 0.00 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 2brf s VAL 41 CO 0.00 0.38 0.23 0.35 0.00 0.00 0.00 175.10 176.07 2brf n THR 42 N 3.09 0.00 -1.64 3.92 -2.24 -1.26 -1.12 114.28 115.03 2brf n THR 42 Ca -0.07 -0.39 -0.49 0.00 -2.27 0.00 0.00 64.05 60.83 2brf n THR 42 Cb 0.51 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.70 2brf n THR 42 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2brf n ASP 43 N -1.06 3.13 0.03 3.42 -0.08 -1.26 -4.85 116.55 115.88 2brf n ASP 43 Ca 0.01 0.82 0.10 0.00 -1.51 0.00 0.00 54.79 54.21 2brf n ASP 43 Cb 0.08 -1.35 0.42 0.00 2.34 0.00 0.00 41.12 42.61 2brf n ASP 43 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2brf n ARG 44 N 7.00 0.05 0.21 -0.67 1.74 -1.26 -0.97 116.66 122.75 2brf n ARG 44 Ca 0.27 0.22 0.14 0.00 -0.77 0.00 0.00 57.85 57.71 2brf n ARG 44 Cb 0.28 -1.58 0.52 0.00 -1.02 0.00 0.00 32.46 30.66 2brf n ARG 44 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2brf h LYS 45 N 0.00 0.00 -5.75 5.56 1.57 -2.02 -3.43 116.57 112.51 2brf h LYS 45 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 2brf h LYS 45 Cb 0.36 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.59 2brf h LYS 45 CO 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 179.45 178.82 2brf s SER 47 N 0.80 4.25 0.41 0.00 0.15 -1.26 -4.47 113.70 113.58 2brf s SER 47 Ca 0.28 1.98 0.10 0.00 0.70 0.00 0.00 55.95 59.01 2brf s SER 47 Cb -0.16 -2.54 0.92 0.00 -1.71 0.00 0.00 66.02 62.53 2brf s SER 47 CO 0.12 -2.21 2.00 0.03 1.20 0.00 0.00 173.24 174.38 2brf h ARG 48 N -1.00 0.50 -3.32 5.44 2.47 -1.91 -0.38 114.38 116.17 2brf h ARG 48 Ca -0.44 -0.03 -0.62 0.00 -1.26 0.00 0.00 59.98 57.62 2brf h ARG 48 Cb 1.25 -0.11 -0.40 0.00 -1.65 0.00 0.00 29.97 29.05 2brf h ARG 48 CO 0.50 0.33 -0.70 0.95 0.56 0.00 0.00 179.97 181.61 2brf s THR 49 N -5.48 1.83 -0.26 2.04 -4.23 -1.26 -3.41 115.64 104.87 2brf s THR 49 Ca -0.08 -2.69 -0.07 0.00 -1.18 0.00 0.00 61.69 57.67 2brf s THR 49 Cb 0.19 -2.29 -0.13 0.00 1.34 0.00 0.00 72.50 71.61 2brf s THR 49 CO 0.75 -0.82 -0.29 1.67 -0.54 0.00 0.00 174.62 175.39 2brf n GLN 50 N 3.58 0.58 -4.02 3.99 -0.06 0.02 -3.12 117.38 118.35 2brf n GLN 50 Ca 0.06 0.20 -0.10 0.00 -2.00 0.00 0.00 57.00 55.16 2brf n GLN 50 Cb 0.35 -1.46 -0.11 0.00 -4.06 0.00 0.00 30.24 24.96 2brf n GLN 50 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 2brf s VAL 51 N -2.49 0.28 -0.16 1.69 -7.23 -0.71 -0.31 120.40 111.48 2brf s VAL 51 Ca -0.35 -1.05 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 2brf s VAL 51 Cb 0.12 -0.50 -0.01 0.00 0.56 0.00 0.00 36.38 36.55 2brf s VAL 51 CO 0.51 -0.50 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.00 2brf s GLU 52 N -1.72 3.40 -0.08 4.82 2.12 0.18 -1.11 118.70 126.31 2brf s GLU 52 Ca -0.12 -0.65 0.04 0.00 0.36 0.00 0.00 54.97 54.60 2brf s GLU 52 Cb -0.09 -2.78 -0.01 0.00 0.26 0.00 0.00 34.13 31.52 2brf s GLU 52 CO -0.01 0.08 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.07 2brf s LEU 53 N 0.73 2.30 -0.10 2.70 1.43 0.50 -0.72 118.68 125.53 2brf s LEU 53 Ca -0.04 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 2brf s LEU 53 Cb -0.15 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.64 2brf s LEU 53 CO 0.02 0.23 -0.09 -0.69 0.23 0.00 0.00 176.35 176.05 2brf s VAL 54 N -0.08 1.08 0.31 -1.59 1.01 -0.53 -0.68 120.40 119.91 2brf s VAL 54 Ca -0.05 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 2brf s VAL 54 Cb -0.14 -1.05 -0.09 0.00 0.00 0.00 0.00 36.38 35.10 2brf s VAL 54 CO 0.04 0.36 0.74 0.00 0.00 0.00 0.00 175.10 176.24 2brf s ALA 55 N 1.33 3.33 -0.42 5.51 0.00 -1.26 -0.92 121.76 129.32 2brf s ALA 55 Ca -0.02 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.04 2brf s ALA 55 Cb -0.14 -2.78 0.12 0.00 0.00 0.00 0.00 23.12 20.32 2brf s ALA 55 CO -0.04 0.33 0.17 0.34 0.00 0.00 0.00 175.76 176.55 2brf s ASP 56 N -2.16 4.36 0.57 0.00 -1.08 0.20 -4.59 116.67 113.97 2brf s ASP 56 Ca 0.52 -2.53 0.35 0.00 -0.52 0.00 0.00 52.55 50.38 2brf s ASP 56 Cb -0.11 -1.48 1.56 0.00 -1.46 0.00 0.00 42.92 41.43 2brf s ASP 56 CO 0.18 -0.31 2.06 1.55 0.52 0.00 0.00 175.17 179.17 2brf h PRO 57 N 7.08 0.00 -0.20 4.34 0.13 -1.96 0.89 132.00 142.27 2brf h PRO 57 Ca -0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.98 2brf h PRO 57 Cb 0.95 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 2brf h PRO 57 CO 0.58 0.01 -0.22 0.93 -0.23 0.00 0.00 178.00 179.08 2brf h GLU 58 N 0.00 0.50 -0.00 0.86 5.08 -1.94 -3.07 114.58 116.00 2brf h GLU 58 Ca -0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2brf h GLU 58 Cb 0.42 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2brf h GLU 58 CO 0.00 0.85 -0.36 0.25 -1.00 0.00 0.00 179.01 178.75 2brf n THR 59 N -4.43 0.00 -3.34 1.13 -2.24 -1.17 -4.96 114.28 99.27 2brf n THR 59 Ca -0.05 -0.07 -0.18 0.00 -2.27 0.00 0.00 64.05 61.47 2brf n THR 59 Cb 0.42 0.34 0.07 0.00 -2.10 0.00 0.00 70.33 69.05 2brf n THR 59 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2brf n ARG 60 N -1.00 -6.31 -4.31 -0.78 1.74 0.25 -4.93 116.66 101.32 2brf n ARG 60 Ca 0.09 0.71 -0.16 0.00 -0.77 0.00 0.00 57.85 57.72 2brf n ARG 60 Cb 0.34 -5.35 -0.10 0.00 -1.02 0.00 0.00 32.46 26.33 2brf n ARG 60 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2brf s THR 61 N -3.28 1.07 -0.02 0.55 -4.23 -0.85 -3.41 115.64 105.47 2brf s THR 61 Ca 0.31 -2.04 0.04 0.00 -1.18 0.00 0.00 61.69 58.82 2brf s THR 61 Cb -0.14 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 2brf s THR 61 CO 0.62 -0.43 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.42 2brf s VAL 62 N -3.39 1.26 -0.04 2.29 1.01 -0.04 -0.63 120.40 120.87 2brf s VAL 62 Ca 0.26 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 2brf s VAL 62 Cb 0.05 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 2brf s VAL 62 CO 0.07 0.36 0.64 0.00 0.00 0.00 0.00 175.10 176.17 2brf s ALA 63 N -0.19 3.41 -0.18 5.51 0.00 -0.10 -1.02 121.76 129.20 2brf s ALA 63 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2brf s ALA 63 Cb -0.08 -2.84 0.04 0.00 0.00 0.00 0.00 23.12 20.24 2brf s ALA 63 CO 0.00 0.03 -0.08 0.08 0.00 0.00 0.00 175.76 175.80 2brf s VAL 64 N 0.30 1.35 -0.19 0.00 1.01 -0.31 -1.46 120.40 121.10 2brf s VAL 64 Ca 0.34 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 2brf s VAL 64 Cb -0.18 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2brf s VAL 64 CO 0.17 0.18 0.01 -0.75 0.00 0.00 0.00 175.10 174.71 2brf s LYS 65 N 1.53 3.69 0.04 2.72 2.20 0.11 -0.05 119.74 129.99 2brf s LYS 65 Ca 0.00 -0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 2brf s LYS 65 Cb -0.15 -3.09 -0.05 0.00 -1.51 0.00 0.00 37.83 33.03 2brf s LYS 65 CO -0.08 0.08 1.07 -1.14 -0.36 0.00 0.00 175.35 174.92 2brf s GLN 66 N 0.83 4.53 -0.18 4.03 0.74 -0.62 -0.65 119.66 128.35 2brf s GLN 66 Ca 0.01 1.57 0.02 0.00 0.05 0.00 0.00 55.36 57.01 2brf s GLN 66 Cb -0.14 -3.40 -0.12 0.00 1.10 0.00 0.00 33.01 30.45 2brf s GLN 66 CO 0.02 -0.09 -0.15 1.28 -0.55 0.00 0.00 175.29 175.80 2brf n LEU 67 N 3.70 2.90 -4.80 3.68 4.77 0.57 -0.69 117.00 127.13 2brf n LEU 67 Ca 0.06 -0.09 -0.30 0.00 -0.03 0.00 0.00 56.01 55.66 2brf n LEU 67 Cb 0.49 -0.59 0.10 0.00 -2.33 0.00 0.00 43.42 41.09 2brf n LEU 67 CO 0.53 0.79 0.72 -0.83 -1.33 0.00 0.00 177.39 177.26 2brf s GLY 68 N -5.68 1.61 0.12 -0.72 0.00 -0.61 -4.83 107.32 97.20 2brf s GLY 68 Ca -0.23 -0.32 -0.00 0.00 0.00 0.00 0.00 44.72 44.16 2brf s GLY 68 CO 0.41 0.15 1.26 -0.24 0.00 0.00 0.00 173.10 174.68 2brf h VAL 69 N -1.21 1.52 -2.95 1.40 3.04 -1.90 -3.38 116.25 112.77 2brf h VAL 69 Ca -0.48 -2.91 -0.52 0.00 -1.01 0.00 0.00 66.70 61.78 2brf h VAL 69 Cb 1.29 2.72 -0.01 0.00 -2.01 0.00 0.00 31.29 33.27 2brf h VAL 69 CO 0.60 0.85 -0.24 0.20 -1.01 0.00 0.00 177.57 177.97 2brf s ASN 70 N -7.00 6.39 0.11 3.17 0.02 -1.26 -4.73 114.94 111.63 2brf s ASN 70 Ca -0.03 0.51 -0.30 0.00 -1.02 0.00 0.00 52.86 52.02 2brf s ASN 70 Cb 0.09 -2.06 -0.06 0.00 0.02 0.00 0.00 41.25 39.24 2brf s ASN 70 CO 0.85 -0.14 1.03 -2.16 0.02 0.00 0.00 177.10 176.70 2brf s PRO 71 N -3.58 4.62 0.36 -0.60 0.04 -1.26 -4.83 135.00 129.75 2brf s PRO 71 Ca 0.41 1.56 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 2brf s PRO 71 Cb -0.11 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 2brf s PRO 71 CO 0.30 0.08 0.61 -1.12 0.04 0.00 0.00 177.00 176.91 2brf s SER 72 N 0.26 6.34 -0.06 6.66 0.01 -1.26 -0.49 113.70 125.16 2brf s SER 72 Ca 0.50 0.66 0.02 0.00 1.31 0.00 0.00 55.95 58.43 2brf s SER 72 Cb -0.25 -2.12 0.02 0.00 0.21 0.00 0.00 66.02 63.87 2brf s SER 72 CO 0.31 -0.33 -0.10 -0.89 0.41 0.00 0.00 173.24 172.64 2brf s THR 73 N -2.34 0.93 -0.31 1.44 2.01 -0.72 -0.69 115.64 115.96 2brf s THR 73 Ca 0.43 -0.36 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 2brf s THR 73 Cb -0.10 -0.87 0.05 0.00 0.01 0.00 0.00 72.50 71.59 2brf s THR 73 CO 0.36 0.31 0.02 0.42 -0.69 0.00 0.00 174.62 175.04 2brf s THR 74 N 0.73 3.06 0.00 -0.82 -4.23 -1.26 -0.79 115.64 112.33 2brf s THR 74 Ca -0.14 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 2brf s THR 74 Cb -0.15 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.90 2brf s THR 74 CO 0.03 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 2brf n GLY 75 N 4.63 -0.10 0.00 3.99 0.00 -0.03 -4.74 105.19 108.94 2brf n GLY 75 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2brf n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2brf n GLN 77 N 0.00 0.00 -2.92 1.61 7.27 -1.26 -4.87 117.38 117.22 2brf n GLN 77 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.67 2brf n GLN 77 Cb 0.00 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.60 2brf n GLN 77 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2brf s GLU 78 N 0.00 4.55 0.55 3.69 2.12 -1.26 -4.38 118.70 123.97 2brf s GLU 78 Ca 0.00 1.17 0.09 0.00 0.36 0.00 0.00 54.97 56.59 2brf s GLU 78 Cb 0.00 -3.36 0.07 0.00 0.26 0.00 0.00 34.13 31.10 2brf s GLU 78 CO 0.00 0.27 0.73 -0.51 -0.54 0.00 0.00 175.26 175.21 2brf s LEU 79 N -0.08 3.12 0.15 2.70 1.43 0.13 -4.98 118.68 121.16 2brf s LEU 79 Ca 0.41 -0.85 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 2brf s LEU 79 Cb -0.21 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2brf s LEU 79 CO 0.25 -1.25 0.15 -0.54 0.23 0.00 0.00 176.35 175.19 2brf s LYS 80 N -4.59 1.04 -0.00 1.70 1.02 -1.26 -4.38 119.74 113.26 2brf s LYS 80 Ca 0.58 -1.35 -0.33 0.00 0.02 0.00 0.00 55.97 54.89 2brf s LYS 80 Cb -0.06 0.30 -0.12 0.00 -0.52 0.00 0.00 37.83 37.43 2brf s LYS 80 CO 0.36 -0.33 1.83 -2.30 -0.92 0.00 0.00 175.35 173.99 2brf n PRO 81 N -0.15 2.32 -0.07 -1.68 -0.02 -1.26 -1.42 135.00 132.71 2brf n PRO 81 Ca -0.06 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2brf n PRO 81 Cb 0.64 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2brf n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2brf n GLY 82 N 4.22 1.01 3.91 -1.23 0.00 0.13 -5.01 105.19 108.23 2brf n GLY 82 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 2brf n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2brf s LEU 83 N 0.00 3.90 -0.01 0.99 1.43 -0.51 -4.85 118.68 119.63 2brf s LEU 83 Ca 0.00 0.76 0.06 0.00 -1.03 0.00 0.00 54.13 53.92 2brf s LEU 83 Cb 0.00 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2brf s LEU 83 CO 0.00 -0.35 -0.19 -0.70 0.23 0.00 0.00 176.35 175.34 2brf s GLU 84 N -4.10 1.48 0.01 1.70 2.12 -1.26 -1.58 118.70 117.07 2brf s GLU 84 Ca 0.45 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 55.10 2brf s GLU 84 Cb -0.10 -1.45 -0.00 0.00 0.26 0.00 0.00 34.13 32.84 2brf s GLU 84 CO 0.36 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.88 2brf n GLY 85 N 2.56 4.08 3.08 -1.50 0.00 0.93 -4.97 105.19 109.38 2brf n GLY 85 Ca -0.15 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 43.90 2brf n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2brf s SER 86 N -1.05 0.32 -0.02 1.61 1.04 -1.26 -1.16 113.70 113.18 2brf s SER 86 Ca 0.00 -0.73 0.04 0.00 0.48 0.00 0.00 55.95 55.74 2brf s SER 86 Cb 0.00 0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.31 2brf s SER 86 CO 0.00 -0.52 -0.13 -0.76 0.98 0.00 0.00 173.24 172.81 2brf s LEU 87 N -2.37 1.92 0.51 2.42 1.43 -0.18 -4.51 118.68 117.89 2brf s LEU 87 Ca -0.02 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 52.90 2brf s LEU 87 Cb 0.01 -0.72 0.02 0.00 0.03 0.00 0.00 46.19 45.54 2brf s LEU 87 CO -0.07 0.13 0.40 -0.83 0.23 0.00 0.00 176.35 176.22 2brf s GLY 88 N -0.07 2.29 0.18 -3.19 0.00 -1.26 -0.86 107.32 104.41 2brf s GLY 88 Ca 0.00 -1.52 -0.32 0.00 0.00 0.00 0.00 44.72 42.89 2brf s GLY 88 CO 0.00 -1.87 1.73 0.14 0.00 0.00 0.00 173.10 173.10 2brf s VAL 89 N -2.69 2.24 0.00 1.40 1.01 -1.22 -0.96 120.40 120.19 2brf s VAL 89 Ca 0.39 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2brf s VAL 89 Cb -0.02 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2brf s VAL 89 CO 0.24 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.95 2brf n GLY 90 N 4.01 0.95 3.88 4.51 0.00 0.55 -5.00 105.19 114.09 2brf n GLY 90 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2brf n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2brf s ASP 91 N -2.69 6.59 -0.07 1.61 1.01 -0.13 -4.83 116.67 118.16 2brf s ASP 91 Ca 0.00 0.99 0.03 0.00 0.71 0.00 0.00 52.55 54.27 2brf s ASP 91 Cb 0.00 -2.26 -0.02 0.00 1.01 0.00 0.00 42.92 41.65 2brf s ASP 91 CO 0.00 -0.20 -0.15 -0.89 0.21 0.00 0.00 175.17 174.14 2brf s THR 92 N -2.03 2.99 -0.21 -1.27 2.01 -1.26 -1.15 115.64 114.72 2brf s THR 92 Ca 0.49 -0.73 -0.14 0.00 0.31 0.00 0.00 61.69 61.62 2brf s THR 92 Cb -0.11 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 2brf s THR 92 CO 0.25 0.57 0.32 -0.22 -0.69 0.00 0.00 174.62 174.84 2brf s LEU 93 N -0.36 4.15 -0.38 4.42 2.96 0.22 -0.85 118.68 128.85 2brf s LEU 93 Ca 0.04 0.39 -0.13 0.00 -0.22 0.00 0.00 54.13 54.20 2brf s LEU 93 Cb -0.12 -2.38 0.01 0.00 0.50 0.00 0.00 46.19 44.20 2brf s LEU 93 CO 0.02 -0.02 0.25 -0.31 -1.32 0.00 0.00 176.35 174.98 2brf s TYR 94 N 1.18 3.23 0.25 5.38 1.51 0.03 -0.25 117.35 128.67 2brf s TYR 94 Ca 0.15 -0.56 -0.04 0.00 -1.01 0.00 0.00 57.07 55.61 2brf s TYR 94 Cb -0.14 -2.51 0.37 0.00 -0.11 0.00 0.00 41.96 39.57 2brf s TYR 94 CO 0.07 -0.53 1.84 -0.07 -1.11 0.00 0.00 175.55 175.74 2brf h LEU 95 N 8.53 0.79 -7.19 -1.29 3.38 -0.47 -1.92 115.31 117.14 2brf h LEU 95 Ca -0.28 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 2brf h LEU 95 Cb 1.13 -0.13 -0.21 0.00 0.09 0.00 0.00 40.66 41.53 2brf h LEU 95 CO 0.68 0.48 -0.05 0.54 0.09 0.00 0.00 178.44 180.19 2brf s VAL 96 N -6.04 0.01 -1.36 1.22 0.11 -1.12 -4.15 120.40 109.07 2brf s VAL 96 Ca -0.12 -0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 58.77 2brf s VAL 96 Cb 0.19 -0.79 0.04 0.00 -1.53 0.00 0.00 36.38 34.29 2brf s VAL 96 CO 0.79 -0.05 0.49 0.59 -3.33 0.00 0.00 175.10 173.59 2brf n ASN 97 N 2.10 -4.54 -0.47 3.54 3.02 0.36 -1.00 115.26 118.28 2brf n ASN 97 Ca -0.16 -0.31 -0.06 0.00 -0.03 0.00 0.00 54.58 54.02 2brf n ASN 97 Cb 0.56 -3.72 -0.03 0.00 -0.61 0.00 0.00 39.78 35.98 2brf n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2brf n GLY 98 N -1.26 0.81 3.50 7.41 0.00 -1.26 -5.00 105.19 109.39 2brf n GLY 98 Ca -0.06 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 2brf n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2brf s LEU 99 N -1.40 2.65 -0.42 0.99 1.43 -0.17 -4.93 118.68 116.83 2brf s LEU 99 Ca 0.00 -1.17 -0.00 0.00 -1.03 0.00 0.00 54.13 51.93 2brf s LEU 99 Cb 0.00 -0.92 -0.00 0.00 0.03 0.00 0.00 46.19 45.30 2brf s LEU 99 CO 0.00 -0.20 0.40 1.41 0.23 0.00 0.00 176.35 178.18 2brf n HIS 100 N -0.71 -1.66 -2.63 0.29 8.25 -1.26 -1.80 115.22 115.71 2brf n HIS 100 Ca -0.05 0.63 -0.38 0.00 -0.26 0.00 0.00 57.72 57.66 2brf n HIS 100 Cb 0.63 -2.98 -0.05 0.00 1.12 0.00 0.00 29.99 28.71 2brf n HIS 100 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2brf s PRO 101 N -3.03 4.50 -0.10 -0.41 0.04 -1.26 -1.54 135.00 133.20 2brf s PRO 101 Ca 0.01 1.53 -0.01 0.00 0.04 0.00 0.00 61.00 62.57 2brf s PRO 101 Cb -0.00 -2.88 0.03 0.00 0.04 0.00 0.00 34.50 31.69 2brf s PRO 101 CO 0.42 0.16 -0.05 -0.51 0.04 0.00 0.00 177.00 177.06 2brf s LEU 102 N -1.97 1.02 -0.13 -3.56 1.43 0.65 -4.30 118.68 111.82 2brf s LEU 102 Ca 0.50 -0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 53.31 2brf s LEU 102 Cb -0.24 -0.71 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 2brf s LEU 102 CO 0.30 -0.14 0.06 -0.89 0.23 0.00 0.00 176.35 175.92 2brf s THR 103 N 1.74 4.83 0.08 5.49 2.01 -0.20 -0.61 115.64 128.98 2brf s THR 103 Ca 0.04 -0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 2brf s THR 103 Cb -0.13 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 2brf s THR 103 CO -0.07 0.56 0.97 -0.22 -0.69 0.00 0.00 174.62 175.17 2brf s LEU 104 N -0.47 4.46 0.15 4.42 2.96 -0.30 -0.85 118.68 129.06 2brf s LEU 104 Ca 0.10 1.76 0.02 0.00 -0.22 0.00 0.00 54.13 55.79 2brf s LEU 104 Cb -0.12 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2brf s LEU 104 CO 0.02 -0.13 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.77 2brf s ARG 105 N 0.31 1.04 -0.11 1.98 1.81 0.42 -0.33 118.95 124.07 2brf s ARG 105 Ca 0.49 -1.48 0.02 0.00 -1.72 0.00 0.00 55.73 53.04 2brf s ARG 105 Cb -0.23 -0.26 0.01 0.00 -0.45 0.00 0.00 34.95 34.02 2brf s ARG 105 CO 0.29 -0.09 -0.19 -0.46 -0.68 0.00 0.00 175.30 174.17 2brf s TRP 106 N -3.64 2.25 -0.21 -0.53 -0.11 -1.26 -1.11 118.94 114.34 2brf s TRP 106 Ca 0.21 -1.04 -0.05 0.00 1.22 0.00 0.00 56.10 56.44 2brf s TRP 106 Cb 0.06 -1.57 -0.02 0.00 -1.50 0.00 0.00 33.47 30.44 2brf s TRP 106 CO 0.02 -0.49 -0.01 -2.00 -4.62 0.00 0.00 176.95 169.84 2brf s GLU 107 N 0.77 3.51 0.00 5.86 2.56 0.47 -4.97 118.70 126.91 2brf s GLU 107 Ca -0.10 -0.57 0.25 0.00 0.00 0.00 0.00 54.97 54.55 2brf s GLU 107 Cb -0.16 -3.06 1.49 0.00 2.00 0.00 0.00 34.13 34.40 2brf s GLU 107 CO 0.01 -0.09 1.85 0.39 -0.56 0.00 0.00 175.26 176.85