#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1f n SER 2 N 0.00 -5.89 -3.84 1.61 2.88 -1.26 -5.09 113.62 102.04 1x1f n SER 2 Ca 0.00 0.67 -0.09 0.00 -1.33 0.00 0.00 58.87 58.12 1x1f n SER 2 Cb 0.00 -3.84 -0.05 0.00 -0.75 0.00 0.00 64.21 59.58 1x1f n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x1f s SER 3 N -1.51 -0.17 0.34 -3.46 0.01 -1.26 -5.19 113.70 102.47 1x1f s SER 3 Ca 0.07 -0.64 -0.17 0.00 1.31 0.00 0.00 55.95 56.52 1x1f s SER 3 Cb -0.02 0.56 0.04 0.00 0.21 0.00 0.00 66.02 66.80 1x1f s SER 3 CO 0.50 -1.05 0.73 -0.83 0.41 0.00 0.00 173.24 173.00 1x1f s GLY 4 N -2.92 0.28 0.57 3.44 0.00 -1.26 -5.18 107.32 102.25 1x1f s GLY 4 Ca 0.13 -0.65 -0.02 0.00 0.00 0.00 0.00 44.72 44.18 1x1f s GLY 4 CO 0.00 -0.29 0.83 -0.45 0.00 0.00 0.00 173.10 173.19 1x1f s SER 5 N -3.02 5.37 -0.17 1.64 0.15 -1.26 -5.05 113.70 111.36 1x1f s SER 5 Ca 0.15 0.31 -0.14 0.00 0.70 0.00 0.00 55.95 56.97 1x1f s SER 5 Cb -0.05 -1.25 -0.05 0.00 -1.71 0.00 0.00 66.02 62.95 1x1f s SER 5 CO 0.10 -1.12 -0.26 -0.24 1.20 0.00 0.00 173.24 172.92 1x1f n SER 6 N -2.46 1.88 -4.23 5.45 2.88 -1.26 -4.77 113.62 111.12 1x1f n SER 6 Ca 0.06 0.46 -0.42 0.00 -1.33 0.00 0.00 58.87 57.64 1x1f n SER 6 Cb 0.59 -0.81 -0.05 0.00 -0.75 0.00 0.00 64.21 63.20 1x1f n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x1f s GLY 7 N -4.65 2.74 -0.32 0.46 0.00 -1.26 -4.81 107.32 99.48 1x1f s GLY 7 Ca -0.23 -3.44 -0.05 0.00 0.00 0.00 0.00 44.72 41.00 1x1f s GLY 7 CO 0.35 1.21 1.21 -0.18 0.00 0.00 0.00 173.10 175.69 1x1f n GLN 8 N 3.46 0.06 -3.89 2.90 0.00 -1.26 -5.11 117.38 113.54 1x1f n GLN 8 Ca 0.14 -0.62 -0.33 0.00 -0.00 0.00 0.00 57.00 56.19 1x1f n GLN 8 Cb 0.42 0.07 -0.13 0.00 0.00 0.00 0.00 30.24 30.60 1x1f n GLN 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1x1f s GLU 9 N 0.47 1.95 -1.03 3.69 0.41 -1.26 -4.95 118.70 117.98 1x1f s GLU 9 Ca 0.24 -2.21 -0.14 0.00 -0.41 0.00 0.00 54.97 52.45 1x1f s GLU 9 Cb 0.18 -3.42 0.20 0.00 -1.78 0.00 0.00 34.13 29.30 1x1f s GLU 9 CO -0.09 -1.06 1.13 1.03 -0.49 0.00 0.00 175.26 175.78 1x1f s ARG 10 N 0.42 3.88 0.79 1.61 1.81 -1.26 -5.02 118.95 121.18 1x1f s ARG 10 Ca 0.13 -2.48 -0.11 0.00 -1.72 0.00 0.00 55.73 51.55 1x1f s ARG 10 Cb -0.22 -4.77 0.07 0.00 -0.45 0.00 0.00 34.95 29.58 1x1f s ARG 10 CO -0.04 -1.55 1.11 -0.51 -0.68 0.00 0.00 175.30 173.63 1x1f s LEU 11 N 0.92 3.03 0.26 2.53 2.01 -1.26 -5.01 118.68 121.16 1x1f s LEU 11 Ca 0.32 1.94 -0.16 0.00 0.01 0.00 0.00 54.13 56.24 1x1f s LEU 11 Cb -0.07 -4.54 -0.08 0.00 0.01 0.00 0.00 46.19 41.52 1x1f s LEU 11 CO -0.06 -2.25 0.68 -0.54 1.01 0.00 0.00 176.35 175.18 1x1f s LYS 12 N -4.75 4.05 0.15 1.70 1.02 -1.26 -4.98 119.74 115.67 1x1f s LYS 12 Ca 0.63 0.66 -0.31 0.00 0.02 0.00 0.00 55.97 56.97 1x1f s LYS 12 Cb -0.19 -2.67 -0.08 0.00 -0.52 0.00 0.00 37.83 34.38 1x1f s LYS 12 CO 0.55 0.29 1.53 0.82 -0.92 0.00 0.00 175.35 177.62 1x1f h ILE 13 N 2.32 0.00 0.00 2.17 5.03 -2.05 -3.43 117.51 121.55 1x1f h ILE 13 Ca -0.48 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.26 1x1f h ILE 13 Cb 1.18 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.97 1x1f h ILE 13 CO 0.66 0.00 0.00 0.41 -0.68 0.00 0.00 178.15 178.54 1x1f n THR 14 N -5.22 0.00 -3.58 -0.27 -1.04 -1.26 -5.13 114.28 97.78 1x1f n THR 14 Ca 0.01 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.00 1x1f n THR 14 Cb 0.27 -0.06 -0.06 0.00 -1.82 0.00 0.00 70.33 68.67 1x1f n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x1f s ALA 15 N -2.00 -2.36 -0.33 2.41 0.00 -1.26 -5.13 121.76 113.08 1x1f s ALA 15 Ca 0.00 2.18 -0.04 0.00 0.00 0.00 0.00 51.96 54.10 1x1f s ALA 15 Cb 0.00 -1.79 0.06 0.00 0.00 0.00 0.00 23.12 21.39 1x1f s ALA 15 CO 0.00 -0.54 0.08 -1.17 0.00 0.00 0.00 175.76 174.13 1x1f s LEU 16 N 1.72 4.30 0.40 0.00 2.96 -1.26 -5.09 118.68 121.71 1x1f s LEU 16 Ca -0.07 -1.36 -0.24 0.00 -0.22 0.00 0.00 54.13 52.24 1x1f s LEU 16 Cb -0.05 -1.79 -0.09 0.00 0.50 0.00 0.00 46.19 44.76 1x1f s LEU 16 CO -0.16 -0.34 1.05 -2.16 -1.32 0.00 0.00 176.35 173.43 1x1f s PRO 17 N 1.29 4.15 0.09 0.98 0.04 -1.26 -5.03 135.00 135.26 1x1f s PRO 17 Ca -0.02 1.52 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 1x1f s PRO 17 Cb -0.20 -2.54 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 1x1f s PRO 17 CO -0.00 -0.15 0.27 -1.17 0.04 0.00 0.00 177.00 175.98 1x1f s LEU 18 N -2.65 4.33 0.00 -3.56 2.96 -1.26 -3.51 118.68 114.98 1x1f s LEU 18 Ca 0.58 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.87 1x1f s LEU 18 Cb -0.22 -3.08 0.00 0.00 0.50 0.00 0.00 46.19 43.38 1x1f s LEU 18 CO 0.28 0.13 0.00 -1.22 -1.32 0.00 0.00 176.35 174.21 1x1f n TYR 19 N 0.20 0.00 -4.64 5.38 4.01 -1.06 -4.92 117.16 116.13 1x1f n TYR 19 Ca -0.04 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.41 1x1f n TYR 19 Cb 0.51 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.44 1x1f n TYR 19 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1x1f s PHE 20 N -0.99 2.40 -0.30 -0.72 5.36 0.14 -5.02 117.98 118.84 1x1f s PHE 20 Ca 0.00 -0.73 -0.14 0.00 -0.96 0.00 0.00 56.93 55.10 1x1f s PHE 20 Cb 0.00 -1.74 0.18 0.00 -0.34 0.00 0.00 43.02 41.12 1x1f s PHE 20 CO 0.00 0.40 1.06 -1.83 -1.46 0.00 0.00 175.22 173.39 1x1f s GLU 21 N -3.74 0.19 0.13 10.12 -1.05 -1.26 -2.20 118.70 120.89 1x1f s GLU 21 Ca 0.30 0.39 -0.25 0.00 -0.15 0.00 0.00 54.97 55.25 1x1f s GLU 21 Cb 0.09 0.22 0.07 0.00 -0.44 0.00 0.00 34.13 34.07 1x1f s GLU 21 CO 0.15 -0.17 0.89 0.20 0.95 0.00 0.00 175.26 177.28 1x1f s GLY 22 N 2.77 -0.31 -0.43 -3.83 0.00 -0.07 -5.01 107.32 100.44 1x1f s GLY 22 Ca -0.01 0.34 -0.28 0.00 0.00 0.00 0.00 44.72 44.76 1x1f s GLY 22 CO -0.13 0.09 1.54 -1.36 0.00 0.00 0.00 173.10 173.24 1x1f s PHE 23 N -3.35 2.18 0.20 1.90 0.08 -1.26 -0.84 117.98 116.89 1x1f s PHE 23 Ca 0.09 0.64 0.09 0.00 0.12 0.00 0.00 56.93 57.87 1x1f s PHE 23 Cb -0.02 -4.27 -0.04 0.00 -0.57 0.00 0.00 43.02 38.12 1x1f s PHE 23 CO -0.01 -2.25 -0.05 -1.17 -0.10 0.00 0.00 175.22 171.64 1x1f s LEU 24 N 6.13 3.10 -0.24 -0.37 2.96 -0.17 -4.80 118.68 125.28 1x1f s LEU 24 Ca 0.65 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.91 1x1f s LEU 24 Cb -0.15 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1x1f s LEU 24 CO 0.31 0.07 0.10 -0.76 -1.32 0.00 0.00 176.35 174.76 1x1f s LEU 25 N -3.09 3.68 -0.17 -0.68 1.43 -0.72 -1.93 118.68 117.21 1x1f s LEU 25 Ca 0.27 -0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1x1f s LEU 25 Cb -0.08 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1x1f s LEU 25 CO 0.17 0.00 -0.06 -0.63 0.23 0.00 0.00 176.35 176.07 1x1f s ILE 26 N 1.41 3.52 -0.62 -0.59 -1.09 -1.13 -1.88 121.20 120.83 1x1f s ILE 26 Ca 0.06 -0.47 0.06 0.00 -2.23 0.00 0.00 60.65 58.07 1x1f s ILE 26 Cb -0.15 -2.55 0.23 0.00 -1.58 0.00 0.00 42.46 38.41 1x1f s ILE 26 CO 0.05 0.47 0.66 1.17 -1.23 0.00 0.00 174.94 176.06 1x1f n LYS 27 N 4.01 2.09 -1.21 2.79 4.81 -0.96 -3.48 118.16 126.21 1x1f n LYS 27 Ca -0.18 -4.41 -0.29 0.00 -0.87 0.00 0.00 58.31 52.56 1x1f n LYS 27 Cb 0.52 -2.12 0.20 0.00 0.02 0.00 0.00 35.03 33.66 1x1f n LYS 27 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1x1f s ARG 28 N -2.03 -0.28 -1.14 1.64 0.52 -1.26 -3.95 118.95 112.45 1x1f s ARG 28 Ca 0.36 0.16 -0.23 0.00 -0.52 0.00 0.00 55.73 55.50 1x1f s ARG 28 Cb 0.11 -1.69 -0.10 0.00 0.52 0.00 0.00 34.95 33.79 1x1f s ARG 28 CO -0.06 -3.13 1.94 0.43 0.02 0.00 0.00 175.30 174.50 1x1f n SER 29 N -4.39 2.95 0.00 0.23 7.64 -1.26 -3.04 113.62 115.74 1x1f n SER 29 Ca 0.09 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.29 1x1f n SER 29 Cb 0.59 -1.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 1x1f n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1f n GLY 30 N 5.67 -0.04 1.13 0.23 0.00 -1.26 -5.07 105.19 105.84 1x1f n GLY 30 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1x1f n GLY 30 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x1f n TYR 31 N 0.00 0.00 0.00 1.61 4.01 -1.17 -5.03 117.16 116.58 1x1f n TYR 31 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1x1f n TYR 31 Cb 0.00 0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1x1f n TYR 31 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1x1f n ARG 32 N -2.38 0.00 -4.28 -0.72 3.00 -1.26 -4.85 116.66 106.17 1x1f n ARG 32 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.66 1x1f n ARG 32 Cb 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.46 1x1f n ARG 32 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1x1f s GLU 33 N 0.00 0.82 0.16 -0.14 -1.05 -1.26 -5.11 118.70 112.12 1x1f s GLU 33 Ca 0.00 -0.22 -0.34 0.00 -0.15 0.00 0.00 54.97 54.27 1x1f s GLU 33 Cb 0.00 -0.79 -0.16 0.00 -0.44 0.00 0.00 34.13 32.75 1x1f s GLU 33 CO 0.00 0.05 1.24 0.66 0.95 0.00 0.00 175.26 178.16 1x1f n TYR 34 N 3.48 1.47 -4.65 4.83 4.01 -1.26 -4.94 117.16 120.10 1x1f n TYR 34 Ca -0.20 0.63 -0.34 0.00 -0.16 0.00 0.00 57.90 57.83 1x1f n TYR 34 Cb 0.54 -2.32 -0.11 0.00 -0.31 0.00 0.00 39.34 37.13 1x1f n TYR 34 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1x1f s GLU 35 N -0.13 2.70 -0.25 -0.72 0.41 -1.23 -4.97 118.70 114.51 1x1f s GLU 35 Ca 0.75 -0.58 -0.26 0.00 -0.41 0.00 0.00 54.97 54.48 1x1f s GLU 35 Cb -0.85 -2.55 -0.00 0.00 -1.78 0.00 0.00 34.13 28.95 1x1f s GLU 35 CO 0.50 0.66 0.88 -1.58 -0.49 0.00 0.00 175.26 175.23 1x1f s HIS 36 N -0.81 3.30 -0.04 1.61 2.46 -1.26 -2.82 115.29 117.72 1x1f s HIS 36 Ca 0.13 1.18 -0.03 0.00 0.47 0.00 0.00 55.06 56.81 1x1f s HIS 36 Cb -0.11 -3.14 0.02 0.00 -0.13 0.00 0.00 32.58 29.22 1x1f s HIS 36 CO 0.02 -0.45 0.10 0.71 -2.47 0.00 0.00 174.74 172.64 1x1f s TYR 37 N 2.97 -0.10 -0.85 3.88 2.02 -0.81 -4.92 117.35 119.55 1x1f s TYR 37 Ca 0.37 0.30 -0.25 0.00 -0.37 0.00 0.00 57.07 57.12 1x1f s TYR 37 Cb -0.15 -0.05 -0.08 0.00 -0.40 0.00 0.00 41.96 41.28 1x1f s TYR 37 CO 0.08 -0.09 2.13 -0.46 -1.57 0.00 0.00 175.55 175.64 1x1f s TRP 38 N 0.56 1.53 0.34 2.71 -0.11 0.50 -1.00 118.94 123.47 1x1f s TRP 38 Ca -0.04 1.19 -0.20 0.00 1.22 0.00 0.00 56.10 58.26 1x1f s TRP 38 Cb -0.06 -3.80 -0.10 0.00 -1.50 0.00 0.00 33.47 28.02 1x1f s TRP 38 CO -0.02 -1.70 0.85 0.99 -4.62 0.00 0.00 176.95 172.45 1x1f s THR 39 N 11.96 4.46 -0.07 5.86 2.01 -0.02 -0.05 115.64 139.80 1x1f s THR 39 Ca 0.79 1.38 -0.01 0.00 0.31 0.00 0.00 61.69 64.16 1x1f s THR 39 Cb -0.09 -3.74 0.03 0.00 0.01 0.00 0.00 72.50 68.70 1x1f s THR 39 CO 0.03 -0.08 0.00 -1.61 -0.69 0.00 0.00 174.62 172.28 1x1f s GLU 40 N -2.64 0.57 -0.35 4.92 2.02 0.00 -0.89 118.70 122.32 1x1f s GLU 40 Ca 0.54 0.11 -0.15 0.00 0.02 0.00 0.00 54.97 55.48 1x1f s GLU 40 Cb -0.13 -0.91 -0.01 0.00 0.10 0.00 0.00 34.13 33.18 1x1f s GLU 40 CO 0.18 -0.28 0.34 -1.17 0.02 0.00 0.00 175.26 174.36 1x1f s LEU 41 N 1.85 4.51 -0.01 1.80 0.20 -0.93 -1.14 118.68 124.97 1x1f s LEU 41 Ca 0.03 -0.33 0.03 0.00 0.69 0.00 0.00 54.13 54.55 1x1f s LEU 41 Cb -0.12 -2.30 -0.00 0.00 -0.43 0.00 0.00 46.19 43.33 1x1f s LEU 41 CO -0.05 -0.34 -0.09 -0.60 -0.29 0.00 0.00 176.35 174.98 1x1f s ARG 42 N 1.96 0.81 0.48 1.98 3.00 -0.95 -0.68 118.95 125.55 1x1f s ARG 42 Ca 0.11 -0.33 0.00 0.00 -1.00 0.00 0.00 55.73 54.51 1x1f s ARG 42 Cb -0.17 -0.78 0.00 0.00 0.00 0.00 0.00 34.95 34.01 1x1f s ARG 42 CO 0.12 0.18 0.00 0.41 0.00 0.00 0.00 175.30 176.01 1x1f n GLY 43 N 2.96 0.51 0.66 8.12 0.00 -1.23 0.77 105.19 116.98 1x1f n GLY 43 Ca -0.15 0.45 0.01 0.00 0.00 0.00 0.00 46.02 46.33 1x1f n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x1f n THR 44 N 0.00 0.00 -5.19 2.61 -2.24 -1.26 -4.84 114.28 103.36 1x1f n THR 44 Ca 0.00 -0.15 -0.31 0.00 -2.27 0.00 0.00 64.05 61.31 1x1f n THR 44 Cb 0.00 0.54 -0.17 0.00 -2.10 0.00 0.00 70.33 68.60 1x1f n THR 44 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x1f s THR 45 N 0.00 1.99 -0.22 4.28 2.01 0.23 -3.82 115.64 120.11 1x1f s THR 45 Ca 0.05 -1.00 -0.12 0.00 0.31 0.00 0.00 61.69 60.94 1x1f s THR 45 Cb 0.06 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 1x1f s THR 45 CO -0.03 0.55 0.20 -0.76 -0.69 0.00 0.00 174.62 173.89 1x1f s LEU 46 N 0.21 4.15 0.11 4.42 1.43 0.29 -2.23 118.68 127.07 1x1f s LEU 46 Ca -0.14 0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.26 1x1f s LEU 46 Cb -0.17 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1x1f s LEU 46 CO 0.07 0.07 -0.09 -0.36 0.23 0.00 0.00 176.35 176.27 1x1f s PHE 47 N 0.89 2.75 -0.11 0.29 0.08 -0.29 0.17 117.98 121.75 1x1f s PHE 47 Ca 0.10 -0.15 -0.01 0.00 0.12 0.00 0.00 56.93 56.99 1x1f s PHE 47 Cb -0.13 -1.42 0.03 0.00 -0.57 0.00 0.00 43.02 40.93 1x1f s PHE 47 CO 0.04 0.44 -0.03 -0.06 -0.10 0.00 0.00 175.22 175.50 1x1f s PHE 48 N -1.27 1.17 0.38 0.36 0.08 0.16 -0.82 117.98 118.04 1x1f s PHE 48 Ca 0.22 -0.59 0.08 0.00 0.12 0.00 0.00 56.93 56.76 1x1f s PHE 48 Cb -0.11 -1.06 -0.07 0.00 -0.57 0.00 0.00 43.02 41.21 1x1f s PHE 48 CO 0.14 -0.47 0.00 0.71 -0.10 0.00 0.00 175.22 175.50 1x1f s TYR 49 N 1.81 2.50 -0.13 0.36 2.02 0.93 0.15 117.35 125.00 1x1f s TYR 49 Ca 0.04 -0.57 0.15 0.00 -0.37 0.00 0.00 57.07 56.31 1x1f s TYR 49 Cb -0.13 -1.64 -0.21 0.00 -0.40 0.00 0.00 41.96 39.57 1x1f s TYR 49 CO -0.07 0.46 0.12 0.25 -1.57 0.00 0.00 175.55 174.74 1x1f n THR 50 N -0.95 0.88 -3.55 -0.71 -2.24 -1.26 0.19 114.28 106.63 1x1f n THR 50 Ca -0.04 -0.62 -0.16 0.00 -2.27 0.00 0.00 64.05 60.96 1x1f n THR 50 Cb 0.65 -0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 1x1f n THR 50 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x1f s ASP 51 N -4.76 -0.62 0.34 3.42 1.11 -1.26 -4.61 116.67 110.29 1x1f s ASP 51 Ca -0.08 0.77 0.12 0.00 0.18 0.00 0.00 52.55 53.54 1x1f s ASP 51 Cb 0.06 0.63 0.94 0.00 1.07 0.00 0.00 42.92 45.62 1x1f s ASP 51 CO 0.66 -0.51 1.73 0.11 1.18 0.00 0.00 175.17 178.35 1x1f h LYS 52 N 3.22 0.52 -0.22 8.23 1.57 -1.96 0.38 116.57 128.30 1x1f h LYS 52 Ca -0.26 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1x1f h LYS 52 Cb 1.15 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 1x1f h LYS 52 CO 0.33 0.34 -0.03 0.87 -0.57 0.00 0.00 179.45 180.39 1x1f h LYS 53 N 0.53 0.03 -6.05 3.15 1.79 -2.03 -3.42 116.57 110.58 1x1f h LYS 53 Ca 0.64 -0.00 -0.81 0.00 -2.18 0.00 0.00 60.65 58.30 1x1f h LYS 53 Cb 1.31 -0.01 0.03 0.00 -1.58 0.00 0.00 32.23 31.98 1x1f h LYS 53 CO -0.45 0.02 0.51 0.43 -1.08 0.00 0.00 179.45 178.88 1x1f n SER 54 N -5.18 1.06 -0.06 0.86 7.64 0.13 -4.85 113.62 113.23 1x1f n SER 54 Ca -0.02 1.16 -0.21 0.00 1.01 0.00 0.00 58.87 60.81 1x1f n SER 54 Cb 0.13 -0.96 -0.13 0.00 -1.01 0.00 0.00 64.21 62.24 1x1f n SER 54 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1x1f h ILE 55 N 4.28 1.01 -3.47 0.44 1.08 -1.84 -3.45 117.51 115.55 1x1f h ILE 55 Ca -0.47 -2.28 -0.60 0.00 -0.39 0.00 0.00 64.86 61.12 1x1f h ILE 55 Cb 1.38 2.52 -0.11 0.00 -3.07 0.00 0.00 36.82 37.54 1x1f h ILE 55 CO 0.86 0.53 -0.20 -0.63 -0.69 0.00 0.00 178.15 178.02 1x1f s ILE 56 N -2.40 5.20 0.28 -0.67 -1.09 -1.26 -5.04 121.20 116.21 1x1f s ILE 56 Ca -0.24 0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 58.59 1x1f s ILE 56 Cb 0.05 -3.73 -0.10 0.00 -1.58 0.00 0.00 42.46 37.09 1x1f s ILE 56 CO 0.67 0.26 1.42 -0.72 -1.23 0.00 0.00 174.94 175.34 1x1f s TYR 57 N 1.28 2.99 0.45 3.97 -0.85 -1.26 -4.87 117.35 119.06 1x1f s TYR 57 Ca 0.19 1.11 0.23 0.00 -0.52 0.00 0.00 57.07 58.07 1x1f s TYR 57 Cb -0.15 -3.81 1.22 0.00 0.38 0.00 0.00 41.96 39.60 1x1f s TYR 57 CO 0.08 -2.56 1.84 -0.24 -1.52 0.00 0.00 175.55 173.15 1x1f h VAL 58 N 3.40 0.59 -1.16 -3.49 3.04 0.11 -3.44 116.25 115.29 1x1f h VAL 58 Ca -0.47 -0.09 0.28 0.00 -1.01 0.00 0.00 66.70 65.40 1x1f h VAL 58 Cb 1.22 0.30 -0.23 0.00 -2.01 0.00 0.00 31.29 30.57 1x1f h VAL 58 CO 0.74 0.05 0.92 -0.62 -1.01 0.00 0.00 177.57 177.65 1x1f s ASP 59 N -5.51 -0.06 0.12 3.17 -1.08 -1.04 -5.03 116.67 107.24 1x1f s ASP 59 Ca -0.07 0.03 0.05 0.00 -0.52 0.00 0.00 52.55 52.03 1x1f s ASP 59 Cb 0.23 0.06 -0.04 0.00 -1.46 0.00 0.00 42.92 41.71 1x1f s ASP 59 CO 0.79 -0.08 -0.12 -1.59 0.52 0.00 0.00 175.17 174.68 1x1f s LYS 60 N -1.73 0.98 0.40 4.34 -2.85 -1.26 0.38 119.74 120.01 1x1f s LYS 60 Ca 0.10 -1.26 0.03 0.00 -1.00 0.00 0.00 55.97 53.84 1x1f s LYS 60 Cb -0.01 -0.74 -0.03 0.00 -2.06 0.00 0.00 37.83 34.99 1x1f s LYS 60 CO -0.05 0.13 0.10 -0.51 0.10 0.00 0.00 175.35 175.12 1x1f s LEU 61 N -2.60 2.06 -0.02 2.77 1.43 0.44 -4.96 118.68 117.80 1x1f s LEU 61 Ca 0.10 -1.62 0.01 0.00 -1.03 0.00 0.00 54.13 51.59 1x1f s LEU 61 Cb -0.03 -0.22 0.01 0.00 0.03 0.00 0.00 46.19 45.98 1x1f s LEU 61 CO 0.02 -0.86 -0.03 -1.81 0.23 0.00 0.00 176.35 173.89 1x1f s ASP 62 N -3.61 0.52 -0.08 2.29 1.01 -1.26 -0.54 116.67 115.00 1x1f s ASP 62 Ca 0.24 -0.07 0.20 0.00 0.71 0.00 0.00 52.55 53.63 1x1f s ASP 62 Cb 0.04 -0.16 0.41 0.00 1.01 0.00 0.00 42.92 44.22 1x1f s ASP 62 CO 0.13 -0.01 1.18 2.30 0.21 0.00 0.00 175.17 178.99 1x1f n ILE 63 N 3.47 0.80 0.09 0.77 -5.35 -1.25 -4.77 119.36 113.13 1x1f n ILE 63 Ca -0.19 -1.78 -0.06 0.00 -0.27 0.00 0.00 62.75 60.45 1x1f n ILE 63 Cb 0.55 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 1x1f n ILE 63 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 1x1f h VAL 64 N 4.79 1.56 -0.60 7.28 3.04 -1.85 -2.90 116.25 127.56 1x1f h VAL 64 Ca -0.14 -2.76 0.00 0.00 -1.01 0.00 0.00 66.70 62.79 1x1f h VAL 64 Cb 1.56 2.51 0.00 0.00 -2.01 0.00 0.00 31.29 33.35 1x1f h VAL 64 CO 0.06 0.79 0.00 -0.67 -1.01 0.00 0.00 177.57 176.75 1x1f n ASP 65 N -3.59 4.05 -4.48 3.17 -0.08 -1.26 -4.98 116.55 109.38 1x1f n ASP 65 Ca -0.02 -2.27 -0.56 0.00 -1.51 0.00 0.00 54.79 50.43 1x1f n ASP 65 Cb 0.80 -0.51 -0.07 0.00 2.34 0.00 0.00 41.12 43.68 1x1f n ASP 65 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1x1f n LEU 66 N 1.12 -0.20 -0.00 -2.67 7.94 -1.10 -4.28 117.00 117.82 1x1f n LEU 66 Ca 0.23 1.15 -0.09 0.00 -1.11 0.00 0.00 56.01 56.19 1x1f n LEU 66 Cb 0.73 -0.95 -0.14 0.00 0.53 0.00 0.00 43.42 43.60 1x1f n LEU 66 CO 0.19 -2.12 -0.38 0.74 -1.11 0.00 0.00 177.39 174.72 1x1f h THR 67 N 2.52 1.04 0.00 1.96 2.02 0.11 -3.49 112.91 117.07 1x1f h THR 67 Ca -0.45 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 63.87 1x1f h THR 67 Cb 1.43 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 70.36 1x1f h THR 67 CO 0.64 0.61 0.00 0.00 0.37 0.00 0.00 175.52 177.14 1x1f s LEU 69 N 0.00 1.15 0.52 0.00 0.20 -1.26 -1.99 118.68 117.29 1x1f s LEU 69 Ca 0.00 -0.13 0.09 0.00 0.69 0.00 0.00 54.13 54.77 1x1f s LEU 69 Cb 0.00 -0.48 0.05 0.00 -0.43 0.00 0.00 46.19 45.33 1x1f s LEU 69 CO 0.00 -0.09 0.65 0.42 -0.29 0.00 0.00 176.35 177.04 1x1f s THR 70 N 1.22 2.33 -0.18 3.68 -4.23 -1.19 -4.96 115.64 112.31 1x1f s THR 70 Ca -0.06 -1.09 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1x1f s THR 70 Cb -0.14 -2.42 0.05 0.00 1.34 0.00 0.00 72.50 71.32 1x1f s THR 70 CO -0.02 0.00 -0.04 -1.61 -0.54 0.00 0.00 174.62 172.41 1x1f s GLU 71 N -4.49 1.33 -0.48 3.99 2.02 -1.26 -3.39 118.70 116.41 1x1f s GLU 71 Ca 0.55 -0.55 -0.23 0.00 0.02 0.00 0.00 54.97 54.77 1x1f s GLU 71 Cb -0.06 -2.07 0.03 0.00 0.10 0.00 0.00 34.13 32.14 1x1f s GLU 71 CO 0.34 -0.48 0.80 -0.65 0.02 0.00 0.00 175.26 175.30 1x1f s GLN 72 N 1.64 3.34 0.00 1.61 1.11 1.00 -4.95 119.66 123.41 1x1f s GLN 72 Ca -0.00 -0.25 0.00 0.00 0.01 0.00 0.00 55.36 55.11 1x1f s GLN 72 Cb -0.16 -3.99 0.00 0.00 -1.01 0.00 0.00 33.01 27.85 1x1f s GLN 72 CO -0.07 -1.22 0.00 0.27 0.01 0.00 0.00 175.29 174.27 1x1f n ASN 73 N 6.83 0.00 -3.46 5.90 6.94 -1.26 -4.42 115.26 125.80 1x1f n ASN 73 Ca 0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.47 1x1f n ASN 73 Cb 0.48 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.81 1x1f n ASN 73 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1x1f s SER 74 N 0.00 0.18 0.00 0.53 0.01 -1.26 -5.02 113.70 108.14 1x1f s SER 74 Ca 0.00 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1x1f s SER 74 Cb 0.00 1.11 0.00 0.00 0.21 0.00 0.00 66.02 67.34 1x1f s SER 74 CO 0.00 -0.28 0.00 0.41 0.41 0.00 0.00 173.24 173.78 1x1f n THR 75 N 5.37 0.00 -1.77 1.44 -1.04 -1.26 -4.75 114.28 112.27 1x1f n THR 75 Ca -0.05 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.61 1x1f n THR 75 Cb 0.50 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.07 1x1f n THR 75 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1x1f s GLU 76 N 0.00 2.64 -0.32 -2.82 2.02 -1.26 -5.01 118.70 113.96 1x1f s GLU 76 Ca 0.00 1.79 0.02 0.00 0.02 0.00 0.00 54.97 56.80 1x1f s GLU 76 Cb 0.00 -1.89 0.08 0.00 0.10 0.00 0.00 34.13 32.42 1x1f s GLU 76 CO 0.00 -1.45 0.01 0.21 0.02 0.00 0.00 175.26 174.05 1x1f s LYS 77 N -3.60 1.88 -0.26 1.61 2.47 -1.26 -4.92 119.74 115.65 1x1f s LYS 77 Ca 0.76 -1.64 0.02 0.00 -1.56 0.00 0.00 55.97 53.55 1x1f s LYS 77 Cb -0.30 -3.14 0.07 0.00 -1.46 0.00 0.00 37.83 33.00 1x1f s LYS 77 CO 0.38 -0.80 -0.04 1.21 0.16 0.00 0.00 175.35 176.27 1x1f s ASN 78 N 1.10 4.13 0.61 1.43 2.47 -1.26 -5.04 114.94 118.37 1x1f s ASN 78 Ca 0.03 -1.41 0.00 0.00 0.42 0.00 0.00 52.86 51.90 1x1f s ASN 78 Cb -0.20 -1.30 0.00 0.00 -1.45 0.00 0.00 41.25 38.30 1x1f s ASN 78 CO -0.06 -0.26 0.00 0.00 -3.72 0.00 0.00 177.10 173.06 1x1f s ALA 80 N -4.68 3.46 -0.16 0.00 0.00 -1.26 -5.01 121.76 114.11 1x1f s ALA 80 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1x1f s ALA 80 Cb 0.00 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1x1f s ALA 80 CO 0.00 -1.43 -0.21 0.15 0.00 0.00 0.00 175.76 174.27 1x1f s LYS 81 N 3.20 3.01 -0.00 0.00 1.02 -1.26 -4.15 119.74 121.55 1x1f s LYS 81 Ca 0.34 -0.84 -0.12 0.00 0.02 0.00 0.00 55.97 55.37 1x1f s LYS 81 Cb -0.13 -2.50 0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1x1f s LYS 81 CO 0.16 -0.10 0.24 -0.59 -0.92 0.00 0.00 175.35 174.14 1x1f s PHE 82 N 1.03 -0.09 -0.18 3.18 -0.12 -1.26 -0.00 117.98 120.54 1x1f s PHE 82 Ca -0.02 0.08 -0.02 0.00 -0.05 0.00 0.00 56.93 56.92 1x1f s PHE 82 Cb -0.14 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.28 1x1f s PHE 82 CO -0.07 -0.37 -0.09 0.99 -0.05 0.00 0.00 175.22 175.64 1x1f s THR 83 N -1.50 3.18 -0.54 -4.49 2.01 -1.22 -2.60 115.64 110.47 1x1f s THR 83 Ca -0.13 -0.58 -0.27 0.00 0.31 0.00 0.00 61.69 61.01 1x1f s THR 83 Cb -0.05 -2.40 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 1x1f s THR 83 CO 0.02 0.47 1.66 -0.76 -0.69 0.00 0.00 174.62 175.33 1x1f s LEU 84 N 1.00 3.37 -0.17 4.42 2.01 0.72 -3.20 118.68 126.83 1x1f s LEU 84 Ca -0.01 0.48 -0.29 0.00 0.01 0.00 0.00 54.13 54.32 1x1f s LEU 84 Cb -0.15 -2.92 -0.00 0.00 0.01 0.00 0.00 46.19 43.13 1x1f s LEU 84 CO -0.01 -1.97 1.08 -0.69 1.01 0.00 0.00 176.35 175.77 1x1f s VAL 85 N 7.39 4.61 0.21 -1.59 1.01 -0.84 -1.87 120.40 129.31 1x1f s VAL 85 Ca 0.63 1.93 0.10 0.00 0.00 0.00 0.00 61.98 64.63 1x1f s VAL 85 Cb -0.14 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 1x1f s VAL 85 CO 0.25 -0.11 -0.18 -0.76 0.00 0.00 0.00 175.10 174.30 1x1f s LEU 86 N 2.82 2.52 0.00 3.92 1.43 -1.24 0.15 118.68 128.28 1x1f s LEU 86 Ca 0.48 -0.96 0.24 0.00 -1.03 0.00 0.00 54.13 52.86 1x1f s LEU 86 Cb -0.18 -0.90 1.43 0.00 0.03 0.00 0.00 46.19 46.58 1x1f s LEU 86 CO 0.12 -0.04 1.80 -0.81 0.23 0.00 0.00 176.35 177.65 1x1f n PRO 87 N -0.17 0.75 0.00 1.29 -0.04 -1.26 -3.70 135.00 131.87 1x1f n PRO 87 Ca -0.09 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.33 1x1f n PRO 87 Cb 0.59 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 1x1f n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x1f n LYS 88 N -1.00 0.15 -3.60 0.54 5.02 -1.26 -5.10 118.16 112.90 1x1f n LYS 88 Ca 0.18 0.06 -0.16 0.00 -2.02 0.00 0.00 58.31 56.37 1x1f n LYS 88 Cb 0.08 -0.76 -0.07 0.00 -0.02 0.00 0.00 35.03 34.27 1x1f n LYS 88 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1x1f s GLU 89 N -2.23 0.91 0.41 1.97 2.12 -1.24 -5.17 118.70 115.47 1x1f s GLU 89 Ca -0.08 0.25 -0.09 0.00 0.36 0.00 0.00 54.97 55.41 1x1f s GLU 89 Cb 0.02 0.43 -0.06 0.00 0.26 0.00 0.00 34.13 34.78 1x1f s GLU 89 CO 0.12 -0.25 0.75 -1.21 -0.54 0.00 0.00 175.26 174.13 1x1f s GLU 90 N -0.97 3.70 0.02 4.30 2.02 -1.26 -3.60 118.70 122.91 1x1f s GLU 90 Ca -0.10 0.35 0.02 0.00 0.02 0.00 0.00 54.97 55.27 1x1f s GLU 90 Cb -0.02 -2.41 -0.01 0.00 0.10 0.00 0.00 34.13 31.79 1x1f s GLU 90 CO 0.07 -0.06 -0.07 0.08 0.02 0.00 0.00 175.26 175.30 1x1f s VAL 91 N -2.44 0.52 -0.12 2.63 1.01 -0.78 -4.83 120.40 116.39 1x1f s VAL 91 Ca 0.50 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 1x1f s VAL 91 Cb -0.10 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1x1f s VAL 91 CO 0.35 -0.09 0.06 -1.10 0.00 0.00 0.00 175.10 174.32 1x1f s GLN 92 N -0.79 3.36 0.16 2.72 -0.21 -1.25 -0.20 119.66 123.45 1x1f s GLN 92 Ca -0.03 -0.29 0.07 0.00 0.02 0.00 0.00 55.36 55.13 1x1f s GLN 92 Cb -0.06 -3.03 -0.04 0.00 1.00 0.00 0.00 33.01 30.89 1x1f s GLN 92 CO 0.00 0.64 -0.14 -0.51 -2.12 0.00 0.00 175.29 173.16 1x1f s LEU 93 N -0.68 2.48 -0.05 2.90 1.02 -1.07 -2.26 118.68 121.01 1x1f s LEU 93 Ca 0.12 -0.92 -0.21 0.00 0.02 0.00 0.00 54.13 53.14 1x1f s LEU 93 Cb -0.12 -0.62 0.04 0.00 0.02 0.00 0.00 46.19 45.52 1x1f s LEU 93 CO 0.02 -0.16 0.48 -0.75 0.02 0.00 0.00 176.35 175.97 1x1f s LYS 94 N -3.16 0.81 0.32 1.70 2.20 -0.79 -3.99 119.74 116.82 1x1f s LYS 94 Ca 0.16 0.11 0.05 0.00 -0.36 0.00 0.00 55.97 55.93 1x1f s LYS 94 Cb -0.03 0.37 -0.06 0.00 -1.51 0.00 0.00 37.83 36.60 1x1f s LYS 94 CO 0.05 -0.22 0.00 0.95 -0.36 0.00 0.00 175.35 175.77 1x1f s THR 95 N -1.04 1.49 -0.05 3.43 -4.23 -1.26 -1.75 115.64 112.23 1x1f s THR 95 Ca -0.11 -2.05 -0.00 0.00 -1.18 0.00 0.00 61.69 58.35 1x1f s THR 95 Cb -0.03 -2.67 -0.00 0.00 1.34 0.00 0.00 72.50 71.14 1x1f s THR 95 CO 0.06 -0.13 -0.01 -0.33 -0.54 0.00 0.00 174.62 173.67 1x1f h GLU 96 N 2.14 0.00 -6.14 3.99 4.39 -1.96 -3.46 114.58 113.55 1x1f h GLU 96 Ca -0.41 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 58.74 1x1f h GLU 96 Cb 1.24 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 1x1f h GLU 96 CO 0.70 0.00 -0.39 -0.80 -1.16 0.00 0.00 179.01 177.36 1x1f s ASN 97 N -4.22 6.38 0.16 1.42 0.01 -1.26 -4.90 114.94 112.53 1x1f s ASN 97 Ca -0.01 0.34 -0.16 0.00 -0.71 0.00 0.00 52.86 52.33 1x1f s ASN 97 Cb 0.00 -1.98 0.08 0.00 0.41 0.00 0.00 41.25 39.76 1x1f s ASN 97 CO 0.01 0.01 1.75 0.74 -1.51 0.00 0.00 177.10 178.10 1x1f h THR 98 N 1.66 0.88 -0.08 1.60 2.02 -1.95 -2.85 112.91 114.20 1x1f h THR 98 Ca -0.48 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 66.61 1x1f h THR 98 Cb 1.19 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1x1f h THR 98 CO 0.69 0.05 -0.10 -0.33 0.37 0.00 0.00 175.52 176.20 1x1f h GLU 99 N 0.29 -0.07 -1.81 6.66 4.39 -2.00 0.55 114.58 122.59 1x1f h GLU 99 Ca 0.18 0.00 0.52 0.00 0.34 0.00 0.00 59.36 60.41 1x1f h GLU 99 Cb 0.16 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.75 1x1f h GLU 99 CO -0.18 -0.05 1.32 0.77 -1.16 0.00 0.00 179.01 179.71 1x1f h SER 100 N -0.07 0.00 0.67 1.42 0.02 -1.95 0.29 113.55 113.93 1x1f h SER 100 Ca 0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1x1f h SER 100 Cb 0.11 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.65 1x1f h SER 100 CO -0.11 0.00 -0.32 1.23 -1.14 0.00 0.00 176.83 176.49 1x1f h GLY 101 N 0.00 -0.93 0.35 -3.77 0.00 0.30 -2.02 103.07 97.01 1x1f h GLY 101 Ca 0.86 0.35 0.19 0.00 0.00 0.00 0.00 47.33 48.73 1x1f h GLY 101 CO -0.01 -0.34 0.59 0.83 0.00 0.00 0.00 176.54 177.61 1x1f h GLU 102 N -1.06 0.45 0.18 4.80 3.07 0.27 0.06 114.58 122.34 1x1f h GLU 102 Ca -0.09 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 1x1f h GLU 102 Cb 0.68 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1x1f h GLU 102 CO 0.15 0.30 -0.10 0.93 -1.40 0.00 0.00 179.01 178.89 1x1f h GLU 103 N 0.46 -0.25 0.01 2.33 5.08 -1.16 0.39 114.58 121.45 1x1f h GLU 103 Ca 0.47 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.85 1x1f h GLU 103 Cb 1.07 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1x1f h GLU 103 CO -0.19 -0.17 -0.25 -1.49 -1.00 0.00 0.00 179.01 175.92 1x1f h TRP 104 N -0.26 -0.73 -0.78 4.33 4.06 -0.92 1.10 115.95 122.75 1x1f h TRP 104 Ca -0.02 0.02 0.07 0.00 2.06 0.00 0.00 58.89 61.02 1x1f h TRP 104 Cb 0.20 0.32 -0.09 0.00 -1.00 0.00 0.00 29.16 28.59 1x1f h TRP 104 CO 0.10 -0.27 -0.46 -2.13 -3.56 0.00 0.00 178.44 172.12 1x1f n ARG 105 N -3.86 -0.34 0.15 0.49 0.63 -0.03 0.12 116.66 113.80 1x1f n ARG 105 Ca -0.03 1.30 -0.14 0.00 -0.92 0.00 0.00 57.85 58.06 1x1f n ARG 105 Cb 0.18 -1.91 -0.06 0.00 0.45 0.00 0.00 32.46 31.12 1x1f n ARG 105 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1x1f h GLY 106 N 0.00 -0.65 -0.05 5.14 0.00 0.34 0.42 103.07 108.27 1x1f h GLY 106 Ca 0.13 0.37 0.19 0.00 0.00 0.00 0.00 47.33 48.01 1x1f h GLY 106 CO -0.74 -0.26 0.36 0.74 0.00 0.00 0.00 176.54 176.65 1x1f h PHE 107 N -0.58 0.60 0.40 5.60 0.04 0.37 0.88 116.94 124.25 1x1f h PHE 107 Ca 0.01 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 1x1f h PHE 107 Cb 0.58 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.60 1x1f h PHE 107 CO -0.25 0.01 -0.19 0.82 -0.60 0.00 0.00 178.31 178.09 1x1f h ILE 108 N 0.43 0.50 -0.45 -0.55 5.03 0.16 -1.31 117.51 121.32 1x1f h ILE 108 Ca 0.50 -0.53 0.13 0.00 -0.12 0.00 0.00 64.86 64.84 1x1f h ILE 108 Cb 0.87 0.72 -0.02 0.00 -3.03 0.00 0.00 36.82 35.36 1x1f h ILE 108 CO -0.48 0.08 0.70 -0.07 -0.68 0.00 0.00 178.15 177.70 1x1f h LEU 109 N -0.89 0.00 0.22 1.44 3.38 0.84 1.21 115.31 121.51 1x1f h LEU 109 Ca -0.06 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.57 1x1f h LEU 109 Cb 0.55 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.33 1x1f h LEU 109 CO 0.09 0.00 -1.60 0.74 0.09 0.00 0.00 178.44 177.76 1x1f h THR 110 N 0.00 1.13 -0.56 0.22 2.02 -0.40 0.81 112.91 116.13 1x1f h THR 110 Ca 0.22 -2.63 -0.24 0.00 0.77 0.00 0.00 66.41 64.52 1x1f h THR 110 Cb 1.61 2.91 -0.14 0.00 -1.74 0.00 0.00 68.15 70.78 1x1f h THR 110 CO -0.00 0.83 0.31 1.33 0.37 0.00 0.00 175.52 178.36 1x1f n VAL 111 N -3.65 2.22 0.00 3.16 0.24 0.39 -2.60 118.33 118.09 1x1f n VAL 111 Ca -0.20 -1.12 0.00 0.00 -2.04 0.00 0.00 64.34 60.98 1x1f n VAL 111 Cb 1.09 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1x1f n VAL 111 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x1f n THR 112 N -0.29 0.00 0.52 3.34 -2.24 0.11 -4.74 114.28 110.97 1x1f n THR 112 Ca 0.32 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.23 1x1f n THR 112 Cb 1.14 -0.25 0.24 0.00 -2.10 0.00 0.00 70.33 69.36 1x1f n THR 112 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x1f h GLU 113 N 0.00 0.00 -0.75 -0.78 5.08 -0.97 -3.47 114.58 113.68 1x1f h GLU 113 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1x1f h GLU 113 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1x1f h GLU 113 CO 0.00 0.00 -0.20 1.28 -1.00 0.00 0.00 179.01 179.09 1x1f n LEU 114 N -2.32 -0.94 0.00 1.33 7.99 -1.07 -4.95 117.00 117.04 1x1f n LEU 114 Ca 0.04 0.16 0.00 0.00 -0.01 0.00 0.00 56.01 56.20 1x1f n LEU 114 Cb 0.46 -1.61 0.00 0.00 -0.11 0.00 0.00 43.42 42.15 1x1f n LEU 114 CO 0.34 -0.38 0.00 -0.24 -1.51 0.00 0.00 177.39 175.60 1x1f n SER 115 N 0.34 0.00 -3.91 -1.43 2.88 -1.24 -5.05 113.62 105.21 1x1f n SER 115 Ca -0.10 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.19 1x1f n SER 115 Cb 0.40 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.69 1x1f n SER 115 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1x1f s VAL 116 N -1.24 0.89 -0.15 2.46 1.01 -1.26 -4.11 120.40 118.00 1x1f s VAL 116 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 1x1f s VAL 116 Cb 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1x1f s VAL 116 CO 0.00 0.33 1.27 -2.16 0.00 0.00 0.00 175.10 174.54 1x1f s PRO 117 N 1.42 4.24 0.00 2.72 0.04 -1.26 -4.88 135.00 137.28 1x1f s PRO 117 Ca -0.01 1.68 0.29 0.00 0.04 0.00 0.00 61.00 62.99 1x1f s PRO 117 Cb -0.13 -3.75 1.31 0.00 0.04 0.00 0.00 34.50 31.97 1x1f s PRO 117 CO -0.04 -0.68 1.91 1.04 0.04 0.00 0.00 177.00 179.27 1x1f n GLN 118 N 6.46 0.72 -2.63 4.56 1.13 -1.26 -4.13 117.38 122.24 1x1f n GLN 118 Ca 0.14 -0.21 -0.41 0.00 -1.94 0.00 0.00 57.00 54.57 1x1f n GLN 118 Cb 0.45 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.32 1x1f n GLN 118 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x1f n ASN 119 N -0.96 7.22 -4.04 1.08 4.13 -1.26 -4.94 115.26 116.50 1x1f n ASN 119 Ca 0.15 -3.57 -0.19 0.00 1.68 0.00 0.00 54.58 52.65 1x1f n ASN 119 Cb 0.26 -1.22 -0.15 0.00 -1.54 0.00 0.00 39.78 37.14 1x1f n ASN 119 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1x1f s VAL 120 N -3.61 0.80 -1.35 2.41 -7.23 -1.26 -5.01 120.40 105.16 1x1f s VAL 120 Ca 0.39 -0.46 0.29 0.00 -1.81 0.00 0.00 61.98 60.39 1x1f s VAL 120 Cb 0.16 -0.68 0.46 0.00 0.56 0.00 0.00 36.38 36.88 1x1f s VAL 120 CO -0.08 0.20 2.00 -0.24 -0.31 0.00 0.00 175.10 176.67 1x1f n SER 121 N 2.77 0.00 -3.65 4.85 2.88 -1.26 -4.86 113.62 114.35 1x1f n SER 121 Ca -0.14 -0.01 -0.21 0.00 -1.33 0.00 0.00 58.87 57.18 1x1f n SER 121 Cb 0.56 -0.33 0.17 0.00 -0.75 0.00 0.00 64.21 63.86 1x1f n SER 121 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x1f n LEU 122 N -1.33 -1.38 0.00 2.46 4.32 -1.26 -5.02 117.00 114.79 1x1f n LEU 122 Ca 0.12 -0.40 -0.12 0.00 -0.02 0.00 0.00 56.01 55.59 1x1f n LEU 122 Cb 0.25 -0.81 0.03 0.00 -1.62 0.00 0.00 43.42 41.26 1x1f n LEU 122 CO 0.23 -3.37 0.15 0.18 -1.22 0.00 0.00 177.39 173.36 1x1f n LEU 123 N -1.77 0.00 0.02 2.23 4.77 -1.26 -4.93 117.00 116.06 1x1f n LEU 123 Ca 0.06 -1.48 0.11 0.00 -0.03 0.00 0.00 56.01 54.67 1x1f n LEU 123 Cb 0.41 -0.17 0.46 0.00 -2.33 0.00 0.00 43.42 41.80 1x1f n LEU 123 CO 0.29 -0.56 0.85 -0.81 -1.33 0.00 0.00 177.39 175.84 1x1f n PRO 124 N -1.55 0.05 -0.01 3.23 -0.04 -1.26 -1.89 135.00 133.52 1x1f n PRO 124 Ca 0.06 0.17 -0.16 0.00 -0.04 0.00 0.00 63.50 63.53 1x1f n PRO 124 Cb 0.34 -1.57 -0.14 0.00 -0.04 0.00 0.00 33.50 32.09 1x1f n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x1f n GLY 125 N 0.73 -0.75 0.07 0.55 0.00 -1.26 -3.99 105.19 100.54 1x1f n GLY 125 Ca 0.05 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 1x1f n GLY 125 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1x1f h GLN 126 N 0.04 0.03 -1.20 1.61 4.20 -1.92 -3.22 115.11 114.66 1x1f h GLN 126 Ca -0.37 -0.03 0.37 0.00 0.06 0.00 0.00 58.65 58.69 1x1f h GLN 126 Cb 2.03 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 29.70 1x1f h GLN 126 CO 0.08 0.82 0.76 0.28 -0.67 0.00 0.00 178.83 180.10 1x1f h VAL 127 N -0.75 0.25 -0.50 -0.54 2.07 -1.58 0.73 116.25 115.94 1x1f h VAL 127 Ca -0.01 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.55 1x1f h VAL 127 Cb 0.83 0.04 -0.10 0.00 -1.52 0.00 0.00 31.29 30.55 1x1f h VAL 127 CO 0.01 0.04 -0.16 0.40 0.02 0.00 0.00 177.57 177.87 1x1f h ILE 128 N 0.20 0.44 -0.43 4.57 2.04 -1.68 0.25 117.51 122.90 1x1f h ILE 128 Ca 0.74 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.69 1x1f h ILE 128 Cb 2.16 0.44 -0.09 0.00 -0.74 0.00 0.00 36.82 38.58 1x1f h ILE 128 CO -0.41 0.00 -0.29 0.11 0.00 0.00 0.00 178.15 177.56 1x1f h LYS 129 N -0.04 -0.20 -0.92 2.37 1.79 0.35 0.76 116.57 120.68 1x1f h LYS 129 Ca 0.24 0.01 0.17 0.00 -2.18 0.00 0.00 60.65 58.89 1x1f h LYS 129 Cb 0.41 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 31.00 1x1f h LYS 129 CO -0.53 -0.13 0.51 -0.07 -1.08 0.00 0.00 179.45 178.14 1x1f h LEU 130 N -0.20 0.62 0.21 2.94 3.38 -0.98 1.69 115.31 122.97 1x1f h LEU 130 Ca 0.19 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1x1f h LEU 130 Cb 0.51 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1x1f h LEU 130 CO -0.54 0.23 -0.10 0.45 0.09 0.00 0.00 178.44 178.57 1x1f h HIS 131 N 0.67 -0.26 0.85 1.13 3.86 0.12 -0.94 115.15 120.59 1x1f h HIS 131 Ca 0.52 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.68 1x1f h HIS 131 Cb 0.79 0.08 0.01 0.00 1.06 0.00 0.00 27.41 29.35 1x1f h HIS 131 CO -0.06 0.05 -0.41 0.93 0.86 0.00 0.00 177.93 179.30 1x1f h GLU 132 N -0.56 -1.11 -0.91 2.45 5.08 0.17 -1.16 114.58 118.54 1x1f h GLU 132 Ca -0.03 0.08 0.25 0.00 -1.00 0.00 0.00 59.36 58.66 1x1f h GLU 132 Cb 0.42 0.25 -0.14 0.00 0.50 0.00 0.00 28.75 29.78 1x1f h GLU 132 CO 0.05 -0.73 0.33 0.28 -1.00 0.00 0.00 179.01 177.93 1x1f h VAL 133 N -1.18 0.32 0.04 3.13 2.07 0.24 0.53 116.25 121.40 1x1f h VAL 133 Ca -0.12 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1x1f h VAL 133 Cb 0.88 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1x1f h VAL 133 CO 0.19 0.05 -0.03 0.25 0.02 0.00 0.00 177.57 178.05 1x1f h LEU 134 N 0.25 -0.06 -1.88 2.57 5.85 -0.78 -0.44 115.31 120.82 1x1f h LEU 134 Ca 0.60 0.00 0.38 0.00 0.84 0.00 0.00 57.88 59.70 1x1f h LEU 134 Cb 1.24 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 1x1f h LEU 134 CO -0.64 -0.04 0.92 -0.33 -0.34 0.00 0.00 178.44 178.01 1x1f h GLU 135 N -0.06 0.05 -0.08 1.25 5.08 -0.15 0.69 114.58 121.36 1x1f h GLU 135 Ca -0.01 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1x1f h GLU 135 Cb 0.05 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1x1f h GLU 135 CO 0.01 0.04 0.03 0.00 -1.00 0.00 0.00 179.01 178.08 1x1f h ARG 136 N 0.06 0.13 -0.00 2.33 2.47 0.60 -2.88 114.38 117.08 1x1f h ARG 136 Ca 0.64 -0.03 -0.16 0.00 -1.26 0.00 0.00 59.98 59.17 1x1f h ARG 136 Cb 2.42 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 30.70 1x1f h ARG 136 CO -0.07 0.28 -0.75 1.05 0.56 0.00 0.00 179.97 181.03 1x1f h GLU 137 N -0.05 0.04 -0.89 0.04 4.11 0.17 -3.15 114.58 114.86 1x1f h GLU 137 Ca 0.03 -0.04 0.19 0.00 0.07 0.00 0.00 59.36 59.60 1x1f h GLU 137 Cb 0.20 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.35 1x1f h GLU 137 CO -0.00 0.77 0.44 0.87 0.07 0.00 0.00 179.01 181.16 1x1f h LYS 138 N 0.03 0.52 0.54 1.06 1.57 0.27 0.55 116.57 121.10 1x1f h LYS 138 Ca -0.01 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1x1f h LYS 138 Cb 1.33 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.53 1x1f h LYS 138 CO 0.10 0.34 -0.26 0.87 -0.57 0.00 0.00 179.45 179.93 1x1f h LYS 139 N 0.53 -0.70 -0.78 3.15 6.56 -1.47 -3.03 116.57 120.84 1x1f h LYS 139 Ca 0.52 0.05 0.19 0.00 -1.06 0.00 0.00 60.65 60.35 1x1f h LYS 139 Cb 0.88 0.16 -0.13 0.00 -0.57 0.00 0.00 32.23 32.57 1x1f h LYS 139 CO -0.44 -0.47 0.09 0.00 -2.06 0.00 0.00 179.45 176.57 1x1f h ARG 140 N -0.77 0.15 -1.35 3.15 3.08 -1.43 0.58 114.38 117.79 1x1f h ARG 140 Ca -0.07 -0.01 0.43 0.00 0.07 0.00 0.00 59.98 60.40 1x1f h ARG 140 Cb 0.56 -0.03 -0.12 0.00 0.08 0.00 0.00 29.97 30.45 1x1f h ARG 140 CO 0.12 0.10 0.88 0.00 -1.07 0.00 0.00 179.97 180.00 1x1f h ARG 141 N 0.15 0.09 0.00 0.04 2.47 0.19 -2.25 114.38 115.07 1x1f h ARG 141 Ca 0.45 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.16 1x1f h ARG 141 Cb 0.82 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 1x1f h ARG 141 CO -0.64 0.06 0.00 -0.89 0.56 0.00 0.00 179.97 179.06 1x1f n ILE 142 N -4.62 0.00 -1.87 2.04 5.41 0.20 -2.57 119.36 117.95 1x1f n ILE 142 Ca 0.37 0.90 -0.40 0.00 1.00 0.00 0.00 62.75 64.61 1x1f n ILE 142 Cb 1.44 -1.55 -0.01 0.00 -0.71 0.00 0.00 39.64 38.82 1x1f n ILE 142 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1x1f n GLU 143 N -0.68 4.06 -3.64 0.38 1.02 -0.86 -4.81 120.64 116.12 1x1f n GLU 143 Ca 0.00 -3.10 -0.08 0.00 -0.02 0.00 0.00 57.16 53.97 1x1f n GLU 143 Cb 0.00 -2.78 -0.07 0.00 -0.02 0.00 0.00 31.44 28.57 1x1f n GLU 143 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x1f s SER 144 N 1.12 -0.42 0.00 1.62 0.15 -1.06 -5.03 113.70 110.08 1x1f s SER 144 Ca 0.55 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1x1f s SER 144 Cb 0.16 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 1x1f s SER 144 CO -0.07 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1x1f n GLY 145 N 2.32 2.88 3.75 9.45 0.00 -1.26 -4.74 105.19 117.59 1x1f n GLY 145 Ca -0.13 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 1x1f n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1f s PRO 146 N -2.72 4.65 0.05 1.61 0.04 -1.26 -5.04 135.00 132.33 1x1f s PRO 146 Ca 0.00 1.76 -0.27 0.00 0.04 0.00 0.00 61.00 62.54 1x1f s PRO 146 Cb 0.00 -3.21 0.07 0.00 0.04 0.00 0.00 34.50 31.40 1x1f s PRO 146 CO 0.00 0.21 0.63 -1.12 0.04 0.00 0.00 177.00 176.76 1x1f s SER 147 N -0.77 -0.60 0.55 6.66 0.01 -1.26 -5.02 113.70 113.28 1x1f s SER 147 Ca 0.45 0.35 0.27 0.00 1.31 0.00 0.00 55.95 58.33 1x1f s SER 147 Cb -0.31 0.56 1.44 0.00 0.21 0.00 0.00 66.02 67.92 1x1f s SER 147 CO 0.39 -0.77 1.98 0.77 0.41 0.00 0.00 173.24 176.02 1x1f h SER 148 N 2.56 0.00 0.00 2.44 4.64 -2.07 -3.55 113.55 117.56 1x1f h SER 148 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1x1f h SER 148 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1x1f h SER 148 CO 0.39 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.96