#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1f s SER 2 N 0.00 -0.05 -0.30 1.61 0.15 -1.26 -5.14 113.70 108.71 1x1f s SER 2 Ca 0.00 0.07 -0.14 0.00 0.70 0.00 0.00 55.95 56.58 1x1f s SER 2 Cb 0.00 0.06 0.18 0.00 -1.71 0.00 0.00 66.02 64.55 1x1f s SER 2 CO 0.00 -0.03 1.14 -0.94 1.20 0.00 0.00 173.24 174.61 1x1f s SER 3 N -0.64 -0.12 0.00 5.45 1.04 -1.26 -5.16 113.70 113.01 1x1f s SER 3 Ca 0.08 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1x1f s SER 3 Cb -0.02 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1x1f s SER 3 CO -0.11 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1x1f n GLY 4 N 4.46 3.99 3.63 7.32 0.00 -1.26 -5.18 105.19 118.15 1x1f n GLY 4 Ca 0.08 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 1x1f n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x1f s SER 5 N 0.00 -0.79 -0.35 1.61 0.15 -1.26 -5.14 113.70 107.92 1x1f s SER 5 Ca 0.00 1.45 -0.11 0.00 0.70 0.00 0.00 55.95 57.99 1x1f s SER 5 Cb 0.00 1.44 0.01 0.00 -1.71 0.00 0.00 66.02 65.76 1x1f s SER 5 CO 0.00 -0.25 0.21 -0.94 1.20 0.00 0.00 173.24 173.46 1x1f s SER 6 N 0.68 5.78 0.00 5.45 1.04 -1.26 -4.97 113.70 120.42 1x1f s SER 6 Ca -0.02 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1x1f s SER 6 Cb -0.05 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 64.01 1x1f s SER 6 CO -0.04 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1x1f n GLY 7 N 5.03 3.19 2.71 7.32 0.00 -1.26 -5.10 105.19 117.07 1x1f n GLY 7 Ca -0.13 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1x1f n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x1f s GLN 8 N 4.82 1.50 -0.46 1.61 1.11 -1.26 -5.07 119.66 121.90 1x1f s GLN 8 Ca 0.00 -2.33 -0.20 0.00 0.01 0.00 0.00 55.36 52.85 1x1f s GLN 8 Cb 0.00 -2.45 0.03 0.00 -1.01 0.00 0.00 33.01 29.58 1x1f s GLN 8 CO 0.00 -1.22 0.61 -1.21 0.01 0.00 0.00 175.29 173.48 1x1f s GLU 9 N -0.10 3.20 -0.48 2.91 2.02 -1.26 -5.02 118.70 119.98 1x1f s GLU 9 Ca 0.22 -0.61 -0.15 0.00 0.02 0.00 0.00 54.97 54.45 1x1f s GLU 9 Cb -0.16 -4.00 0.08 0.00 0.10 0.00 0.00 34.13 30.15 1x1f s GLU 9 CO -0.07 -1.07 0.39 1.03 0.02 0.00 0.00 175.26 175.57 1x1f s ARG 10 N 2.67 2.94 0.87 1.61 1.81 -1.26 -5.07 118.95 122.53 1x1f s ARG 10 Ca 0.19 -1.41 -0.13 0.00 -1.72 0.00 0.00 55.73 52.65 1x1f s ARG 10 Cb -0.16 -4.12 0.13 0.00 -0.45 0.00 0.00 34.95 30.35 1x1f s ARG 10 CO 0.16 -1.06 1.22 -0.51 -0.68 0.00 0.00 175.30 174.43 1x1f s LEU 11 N 1.61 2.51 0.28 2.53 2.01 -1.26 -5.08 118.68 121.28 1x1f s LEU 11 Ca 0.04 0.62 0.08 0.00 0.01 0.00 0.00 54.13 54.88 1x1f s LEU 11 Cb -0.25 -2.94 -0.04 0.00 0.01 0.00 0.00 46.19 42.97 1x1f s LEU 11 CO 0.06 -2.26 0.13 -0.54 1.01 0.00 0.00 176.35 174.75 1x1f s LYS 12 N -5.66 2.61 0.39 1.70 3.01 -1.26 -5.07 119.74 115.46 1x1f s LYS 12 Ca 0.66 -1.28 -0.22 0.00 -1.01 0.00 0.00 55.97 54.12 1x1f s LYS 12 Cb -0.09 -2.36 -0.15 0.00 -1.01 0.00 0.00 37.83 34.22 1x1f s LYS 12 CO 0.51 0.31 0.27 1.51 0.51 0.00 0.00 175.35 178.46 1x1f n ILE 13 N -1.10 1.12 -3.32 2.17 3.06 -1.26 -3.23 119.36 116.80 1x1f n ILE 13 Ca -0.06 -0.50 -0.24 0.00 -2.50 0.00 0.00 62.75 59.45 1x1f n ILE 13 Cb 0.59 -0.16 0.02 0.00 0.54 0.00 0.00 39.64 40.64 1x1f n ILE 13 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1x1f n THR 14 N -0.86 -4.59 -3.41 9.51 -1.04 -1.26 -4.89 114.28 107.74 1x1f n THR 14 Ca 0.12 0.36 -0.40 0.00 -2.04 0.00 0.00 64.05 62.09 1x1f n THR 14 Cb 0.38 -3.97 -0.09 0.00 -1.82 0.00 0.00 70.33 64.83 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 -1.47 3.51 0.47 2.41 0.00 -1.20 -5.05 121.76 120.43 1x1f s ALA 15 Ca 0.26 -1.12 -0.25 0.00 0.00 0.00 0.00 51.96 50.85 1x1f s ALA 15 Cb -0.03 -2.79 -0.08 0.00 0.00 0.00 0.00 23.12 20.23 1x1f s ALA 15 CO 0.64 -0.96 1.42 -0.51 0.00 0.00 0.00 175.76 176.34 1x1f s LEU 16 N 2.03 4.06 -0.35 0.00 1.02 -1.26 -4.90 118.68 119.27 1x1f s LEU 16 Ca 0.12 2.90 -0.29 0.00 0.02 0.00 0.00 54.13 56.88 1x1f s LEU 16 Cb -0.16 -4.00 0.00 0.00 0.02 0.00 0.00 46.19 42.05 1x1f s LEU 16 CO 0.11 -1.27 1.38 -2.16 0.02 0.00 0.00 176.35 174.43 1x1f s PRO 17 N -2.55 3.74 0.32 1.29 0.04 -1.26 -4.73 135.00 131.84 1x1f s PRO 17 Ca 0.63 1.12 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 1x1f s PRO 17 Cb -0.43 -3.96 -0.11 0.00 0.04 0.00 0.00 34.50 30.04 1x1f s PRO 17 CO 0.55 -1.36 1.49 -1.17 0.04 0.00 0.00 177.00 176.55 1x1f s LEU 18 N 4.96 4.35 -0.04 -3.56 2.96 -1.26 -2.73 118.68 123.36 1x1f s LEU 18 Ca 0.60 2.90 0.01 0.00 -0.22 0.00 0.00 54.13 57.41 1x1f s LEU 18 Cb -0.16 -3.65 -0.03 0.00 0.50 0.00 0.00 46.19 42.86 1x1f s LEU 18 CO 0.28 -0.81 -0.03 -1.22 -1.32 0.00 0.00 176.35 173.26 1x1f n TYR 19 N 1.42 0.00 -3.54 5.38 4.01 0.93 -4.98 117.16 120.38 1x1f n TYR 19 Ca 0.04 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.62 1x1f n TYR 19 Cb 0.39 -0.16 -0.06 0.00 -0.31 0.00 0.00 39.34 39.21 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 -2.08 -0.57 -0.14 -0.72 5.36 -1.22 -4.98 117.98 113.63 1x1f s PHE 20 Ca -0.05 0.86 -0.12 0.00 -0.96 0.00 0.00 56.93 56.67 1x1f s PHE 20 Cb 0.01 0.38 0.04 0.00 -0.34 0.00 0.00 43.02 43.12 1x1f s PHE 20 CO 0.10 -0.62 0.36 -1.83 -1.46 0.00 0.00 175.22 171.77 1x1f s GLU 21 N -1.66 0.41 0.00 10.12 1.03 -1.26 0.13 118.70 127.46 1x1f s GLU 21 Ca -0.09 0.53 0.00 0.00 0.03 0.00 0.00 54.97 55.44 1x1f s GLU 21 Cb -0.01 0.17 0.00 0.00 -0.80 0.00 0.00 34.13 33.49 1x1f s GLU 21 CO 0.05 -0.07 0.00 0.41 -1.33 0.00 0.00 175.26 174.33 1x1f n GLY 22 N 3.09 1.45 3.50 -3.83 0.00 -0.77 -5.03 105.19 103.61 1x1f n GLY 22 Ca -0.15 0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1x1f n GLY 22 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1x1f n PHE 23 N -0.04 0.56 -3.99 1.61 3.72 -1.26 -3.98 117.46 114.08 1x1f n PHE 23 Ca 0.00 0.30 -0.23 0.00 -0.05 0.00 0.00 57.45 57.47 1x1f n PHE 23 Cb 0.00 -2.15 -0.03 0.00 -0.94 0.00 0.00 39.48 36.36 1x1f n PHE 23 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1x1f s LEU 24 N 8.12 4.21 -0.14 4.37 2.96 -1.15 -4.82 118.68 132.24 1x1f s LEU 24 Ca 1.32 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 55.26 1x1f s LEU 24 Cb -1.10 -2.77 -0.02 0.00 0.50 0.00 0.00 46.19 42.80 1x1f s LEU 24 CO 0.48 -0.02 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.62 1x1f s LEU 25 N -3.65 2.81 -0.05 -0.68 1.43 -0.97 -3.08 118.68 114.48 1x1f s LEU 25 Ca 0.34 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.20 1x1f s LEU 25 Cb -0.10 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 1x1f s LEU 25 CO 0.28 0.16 -0.22 -0.63 0.23 0.00 0.00 176.35 176.17 1x1f s ILE 26 N 0.38 2.39 -0.29 -0.59 -1.09 -1.20 -2.29 121.20 118.51 1x1f s ILE 26 Ca -0.09 -0.96 0.09 0.00 -2.23 0.00 0.00 60.65 57.45 1x1f s ILE 26 Cb -0.16 -1.88 -0.11 0.00 -1.58 0.00 0.00 42.46 38.73 1x1f s ILE 26 CO 0.05 0.58 0.31 1.17 -1.23 0.00 0.00 174.94 175.82 1x1f n LYS 27 N 2.68 2.94 0.00 2.79 4.81 -1.22 -0.82 118.16 129.34 1x1f n LYS 27 Ca -0.17 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 1x1f n LYS 27 Cb 0.52 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.57 1x1f n LYS 27 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1x1f n ARG 28 N -1.39 0.00 -2.67 1.64 1.74 -1.26 -3.05 116.66 111.67 1x1f n ARG 28 Ca 0.01 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1x1f n ARG 28 Cb 0.17 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.64 1x1f n ARG 28 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1x1f n SER 29 N 1.25 -1.49 0.00 0.55 2.88 -1.26 -4.04 113.62 111.51 1x1f n SER 29 Ca 0.00 -1.12 0.00 0.00 -1.33 0.00 0.00 58.87 56.42 1x1f n SER 29 Cb 0.00 0.76 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 1x1f n SER 29 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1f n GLY 30 N 2.44 1.26 0.31 0.46 0.00 -1.17 -5.01 105.19 103.47 1x1f n GLY 30 Ca 0.10 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1x1f n GLY 30 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1x1f h TYR 31 N 0.00 -0.75 0.00 1.61 0.05 -1.90 -3.45 116.97 112.52 1x1f h TYR 31 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1x1f h TYR 31 Cb 0.00 0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1x1f h TYR 31 CO 0.00 -0.39 0.00 -2.13 -1.05 0.00 0.00 178.16 174.59 1x1f n ARG 32 N -5.39 0.00 -0.31 4.88 0.63 -1.26 -4.13 116.66 111.07 1x1f n ARG 32 Ca -0.07 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 56.97 1x1f n ARG 32 Cb 0.30 0.00 0.29 0.00 0.45 0.00 0.00 32.46 33.50 1x1f n ARG 32 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1x1f n GLU 33 N 0.00 2.52 -1.55 -0.14 1.02 -1.26 -5.04 120.64 116.18 1x1f n GLU 33 Ca 0.00 -2.35 0.02 0.00 -0.02 0.00 0.00 57.16 54.80 1x1f n GLU 33 Cb 0.00 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 29.90 1x1f n GLU 33 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1x1f n TYR 34 N 1.43 -4.03 -4.49 -0.32 4.02 -1.26 -4.90 117.16 107.61 1x1f n TYR 34 Ca 0.22 2.19 -0.33 0.00 -0.01 0.00 0.00 57.90 59.96 1x1f n TYR 34 Cb 0.56 -3.40 -0.14 0.00 -0.02 0.00 0.00 39.34 36.34 1x1f n TYR 34 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1x1f s GLU 35 N -5.26 3.36 0.11 -0.72 0.41 -0.00 -4.89 118.70 111.71 1x1f s GLU 35 Ca 0.00 -0.68 -0.31 0.00 -0.41 0.00 0.00 54.97 53.57 1x1f s GLU 35 Cb 0.00 -2.73 -0.08 0.00 -1.78 0.00 0.00 34.13 29.54 1x1f s GLU 35 CO 0.00 0.08 1.35 -1.01 -0.49 0.00 0.00 175.26 175.19 1x1f s HIS 36 N 0.71 3.28 -0.26 1.61 3.76 -1.26 -3.28 115.29 119.86 1x1f s HIS 36 Ca -0.05 1.03 -0.17 0.00 -0.15 0.00 0.00 55.06 55.71 1x1f s HIS 36 Cb -0.15 -3.63 0.07 0.00 1.11 0.00 0.00 32.58 29.98 1x1f s HIS 36 CO 0.02 -2.17 0.65 0.71 -0.85 0.00 0.00 174.74 173.10 1x1f s TYR 37 N 1.06 -0.90 -0.90 1.40 2.02 -1.18 -4.94 117.35 113.91 1x1f s TYR 37 Ca 0.63 1.92 -0.26 0.00 -0.37 0.00 0.00 57.07 58.99 1x1f s TYR 37 Cb -0.35 0.47 -0.15 0.00 -0.40 0.00 0.00 41.96 41.52 1x1f s TYR 37 CO 0.30 -0.45 2.26 -0.46 -1.57 0.00 0.00 175.55 175.63 1x1f s TRP 38 N 1.20 1.25 0.13 2.71 -0.11 0.29 -2.96 118.94 121.47 1x1f s TRP 38 Ca -0.07 1.91 -0.27 0.00 1.22 0.00 0.00 56.10 58.89 1x1f s TRP 38 Cb -0.05 -3.48 -0.07 0.00 -1.50 0.00 0.00 33.47 28.37 1x1f s TRP 38 CO -0.12 -1.30 0.84 0.99 -4.62 0.00 0.00 176.95 172.74 1x1f s THR 39 N 14.91 4.44 0.00 5.86 2.01 -1.26 -0.91 115.64 140.69 1x1f s THR 39 Ca 0.86 1.84 0.00 0.00 0.31 0.00 0.00 61.69 64.70 1x1f s THR 39 Cb -0.09 -4.21 -0.00 0.00 0.01 0.00 0.00 72.50 68.20 1x1f s THR 39 CO 0.10 0.43 -0.01 -1.83 -0.69 0.00 0.00 174.62 172.62 1x1f s GLU 40 N -0.60 0.07 -0.27 4.92 4.04 -0.01 -1.84 118.70 125.00 1x1f s GLU 40 Ca 0.40 -0.06 -0.20 0.00 0.04 0.00 0.00 54.97 55.15 1x1f s GLU 40 Cb -0.23 -0.05 -0.02 0.00 0.02 0.00 0.00 34.13 33.85 1x1f s GLU 40 CO 0.27 0.01 0.61 -1.17 -1.84 0.00 0.00 175.26 173.14 1x1f s LEU 41 N -0.10 4.09 -0.05 1.83 0.20 0.34 -0.80 118.68 124.20 1x1f s LEU 41 Ca -0.01 0.57 0.00 0.00 0.69 0.00 0.00 54.13 55.39 1x1f s LEU 41 Cb -0.01 -2.81 0.02 0.00 -0.43 0.00 0.00 46.19 42.97 1x1f s LEU 41 CO -0.00 -0.40 -0.02 -0.13 -0.29 0.00 0.00 176.35 175.51 1x1f s ARG 42 N 2.51 0.65 -0.10 1.98 0.52 -0.75 -0.05 118.95 123.71 1x1f s ARG 42 Ca 0.25 0.00 -0.09 0.00 -0.52 0.00 0.00 55.73 55.38 1x1f s ARG 42 Cb -0.15 -0.82 0.01 0.00 0.52 0.00 0.00 34.95 34.51 1x1f s ARG 42 CO 0.10 -0.17 0.14 0.41 0.02 0.00 0.00 175.30 175.80 1x1f n GLY 43 N 4.45 0.04 3.93 -3.53 0.00 -1.11 0.64 105.19 109.62 1x1f n GLY 43 Ca -0.19 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 0.07 -1.70 -3.15 2.61 -2.24 -1.26 -4.78 114.28 103.83 1x1f n THR 44 Ca -0.02 -0.36 0.05 0.00 -2.27 0.00 0.00 64.05 61.45 1x1f n THR 44 Cb 0.17 -1.45 -0.01 0.00 -2.10 0.00 0.00 70.33 66.94 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 -3.97 -0.62 -0.00 4.28 2.01 0.21 -4.42 115.64 113.12 1x1f s THR 45 Ca 0.30 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 1x1f s THR 45 Cb -0.17 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1x1f s THR 45 CO 0.63 0.00 1.22 -0.76 -0.69 0.00 0.00 174.62 175.02 1x1f s LEU 46 N 2.91 4.32 -0.22 4.42 1.43 0.18 -1.81 118.68 129.90 1x1f s LEU 46 Ca 0.13 1.92 -0.01 0.00 -1.03 0.00 0.00 54.13 55.13 1x1f s LEU 46 Cb -0.10 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.57 1x1f s LEU 46 CO -0.19 -0.55 -0.10 -0.36 0.23 0.00 0.00 176.35 175.38 1x1f s PHE 47 N 1.78 2.95 -0.33 0.29 0.08 0.02 0.57 117.98 123.35 1x1f s PHE 47 Ca 0.58 -1.41 -0.16 0.00 0.12 0.00 0.00 56.93 56.05 1x1f s PHE 47 Cb -0.27 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.14 1x1f s PHE 47 CO 0.25 -0.70 0.41 -0.06 -0.10 0.00 0.00 175.22 175.02 1x1f s PHE 48 N 1.36 3.21 0.37 0.36 0.08 0.52 -0.83 117.98 123.04 1x1f s PHE 48 Ca 0.03 0.11 0.08 0.00 0.12 0.00 0.00 56.93 57.27 1x1f s PHE 48 Cb -0.15 -2.74 -0.04 0.00 -0.57 0.00 0.00 43.02 39.53 1x1f s PHE 48 CO -0.07 -0.43 0.21 0.71 -0.10 0.00 0.00 175.22 175.54 1x1f s TYR 49 N 2.15 2.70 -0.24 0.36 2.02 -0.09 0.02 117.35 124.27 1x1f s TYR 49 Ca 0.15 -0.45 0.18 0.00 -0.37 0.00 0.00 57.07 56.58 1x1f s TYR 49 Cb -0.16 -1.84 0.12 0.00 -0.40 0.00 0.00 41.96 39.68 1x1f s TYR 49 CO 0.12 0.19 1.41 1.79 -1.57 0.00 0.00 175.55 177.49 1x1f h THR 50 N 1.39 0.53 0.00 -0.71 1.35 -1.90 0.84 112.91 114.41 1x1f h THR 50 Ca -0.43 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 63.65 1x1f h THR 50 Cb 1.26 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 1x1f h THR 50 CO 0.63 0.30 0.00 0.47 -0.25 0.00 0.00 175.52 176.68 1x1f n ASP 51 N -3.13 0.00 0.21 5.36 8.00 -1.26 -4.52 116.55 121.22 1x1f n ASP 51 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1x1f n ASP 51 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 1x1f n ASP 51 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1x1f n LYS 52 N -0.52 0.00 -0.52 -1.24 4.81 -1.26 -4.63 118.16 114.79 1x1f n LYS 52 Ca 0.00 0.00 0.42 0.00 -0.87 0.00 0.00 58.31 57.86 1x1f n LYS 52 Cb 0.00 0.00 0.71 0.00 0.02 0.00 0.00 35.03 35.76 1x1f n LYS 52 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1x1f h LYS 53 N 0.00 0.04 -6.19 1.64 1.79 -2.03 -3.40 116.57 108.42 1x1f h LYS 53 Ca 0.00 -0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.75 1x1f h LYS 53 Cb 0.00 -0.01 0.04 0.00 -1.58 0.00 0.00 32.23 30.68 1x1f h LYS 53 CO 0.00 0.02 0.55 0.45 -1.08 0.00 0.00 179.45 179.40 1x1f n SER 54 N -4.45 1.65 0.04 0.86 2.88 -1.26 -4.86 113.62 108.47 1x1f n SER 54 Ca 0.39 1.11 -0.19 0.00 -1.33 0.00 0.00 58.87 58.86 1x1f n SER 54 Cb 1.62 -1.13 -0.14 0.00 -0.75 0.00 0.00 64.21 63.81 1x1f n SER 54 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1x1f h ILE 55 N 3.94 1.53 -3.32 2.46 2.04 -2.04 -3.44 117.51 118.68 1x1f h ILE 55 Ca -0.48 -2.47 -0.66 0.00 1.00 0.00 0.00 64.86 62.25 1x1f h ILE 55 Cb 1.34 3.16 -0.27 0.00 -0.74 0.00 0.00 36.82 40.31 1x1f h ILE 55 CO 0.83 0.70 -0.76 0.27 0.00 0.00 0.00 178.15 179.19 1x1f s ILE 56 N -2.49 3.10 0.28 -0.67 -5.25 -1.26 -5.08 121.20 109.83 1x1f s ILE 56 Ca -0.14 -0.63 -0.30 0.00 -0.99 0.00 0.00 60.65 58.59 1x1f s ILE 56 Cb 0.01 -2.32 -0.13 0.00 2.95 0.00 0.00 42.46 42.97 1x1f s ILE 56 CO 0.82 0.51 1.38 0.00 -1.79 0.00 0.00 174.94 175.85 1x1f n TYR 57 N 3.78 2.27 -0.06 1.37 4.11 -1.26 -4.83 117.16 122.53 1x1f n TYR 57 Ca -0.18 0.46 0.19 0.00 -0.00 0.00 0.00 57.90 58.37 1x1f n TYR 57 Cb 0.52 -2.45 0.63 0.00 -0.00 0.00 0.00 39.34 38.04 1x1f n TYR 57 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.86 176.62 1x1f h VAL 58 N 2.87 0.75 -1.34 -3.48 3.04 -0.72 -3.44 116.25 113.93 1x1f h VAL 58 Ca -0.46 -0.05 0.26 0.00 -1.01 0.00 0.00 66.70 65.45 1x1f h VAL 58 Cb 1.27 0.60 -0.21 0.00 -2.01 0.00 0.00 31.29 30.95 1x1f h VAL 58 CO 0.71 0.03 0.85 -1.81 -1.01 0.00 0.00 177.57 176.34 1x1f s ASP 59 N -6.11 -0.11 0.15 3.17 1.01 -0.61 -5.03 116.67 109.14 1x1f s ASP 59 Ca -0.06 0.02 0.01 0.00 0.71 0.00 0.00 52.55 53.23 1x1f s ASP 59 Cb 0.20 0.11 -0.04 0.00 1.01 0.00 0.00 42.92 44.20 1x1f s ASP 59 CO 0.74 -0.17 0.03 -1.59 0.21 0.00 0.00 175.17 174.39 1x1f s LYS 60 N -2.10 1.02 0.03 8.23 -2.85 -1.26 0.20 119.74 123.00 1x1f s LYS 60 Ca 0.09 -1.49 0.00 0.00 -1.00 0.00 0.00 55.97 53.58 1x1f s LYS 60 Cb -0.01 -0.04 -0.02 0.00 -2.06 0.00 0.00 37.83 35.70 1x1f s LYS 60 CO -0.04 -0.19 -0.04 -0.51 0.10 0.00 0.00 175.35 174.67 1x1f s LEU 61 N -3.12 2.26 -0.12 2.77 1.43 0.19 -4.94 118.68 117.16 1x1f s LEU 61 Ca 0.24 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1x1f s LEU 61 Cb 0.07 0.04 -0.03 0.00 0.03 0.00 0.00 46.19 46.30 1x1f s LEU 61 CO 0.03 -0.30 -0.02 -1.81 0.23 0.00 0.00 176.35 174.48 1x1f s ASP 62 N -1.59 5.00 -0.04 2.29 1.11 -1.26 -0.65 116.67 121.53 1x1f s ASP 62 Ca -0.13 -0.01 0.06 0.00 0.18 0.00 0.00 52.55 52.65 1x1f s ASP 62 Cb -0.09 -1.62 0.09 0.00 1.07 0.00 0.00 42.92 42.37 1x1f s ASP 62 CO -0.01 0.26 0.94 2.30 1.18 0.00 0.00 175.17 179.84 1x1f n ILE 63 N 2.91 0.80 0.04 0.77 -5.35 -1.26 -4.73 119.36 112.53 1x1f n ILE 63 Ca -0.18 -0.91 -0.06 0.00 -0.27 0.00 0.00 62.75 61.33 1x1f n ILE 63 Cb 0.53 0.38 0.12 0.00 -1.74 0.00 0.00 39.64 38.93 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 2.49 1.33 -0.48 7.28 3.04 -1.86 -2.29 116.25 125.76 1x1f h VAL 64 Ca 0.00 -1.75 0.00 0.00 -1.01 0.00 0.00 66.70 63.94 1x1f h VAL 64 Cb 0.99 1.77 0.00 0.00 -2.01 0.00 0.00 31.29 32.05 1x1f h VAL 64 CO 0.00 0.53 0.00 -0.67 -1.01 0.00 0.00 177.57 176.42 1x1f n ASP 65 N -3.96 3.49 -4.51 3.17 -0.08 -1.26 -4.91 116.55 108.48 1x1f n ASP 65 Ca -0.02 -2.28 -0.55 0.00 -1.51 0.00 0.00 54.79 50.43 1x1f n ASP 65 Cb 0.56 -0.47 -0.07 0.00 2.34 0.00 0.00 41.12 43.49 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 0.80 0.26 0.02 -2.67 7.94 -0.86 -4.31 117.00 118.17 1x1f n LEU 66 Ca 0.19 1.15 -0.09 0.00 -1.11 0.00 0.00 56.01 56.14 1x1f n LEU 66 Cb 0.65 -1.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.47 1x1f n LEU 66 CO 0.17 -1.85 -0.27 0.74 -1.11 0.00 0.00 177.39 175.07 1x1f h THR 67 N 2.75 1.19 0.00 1.96 2.02 0.16 -3.49 112.91 117.50 1x1f h THR 67 Ca -0.47 -2.96 0.00 0.00 0.77 0.00 0.00 66.41 63.75 1x1f h THR 67 Cb 1.41 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 70.43 1x1f h THR 67 CO 0.67 0.71 0.00 0.00 0.37 0.00 0.00 175.52 177.27 1x1f s LEU 69 N 0.00 1.81 0.43 0.00 2.96 -1.26 -2.46 118.68 120.15 1x1f s LEU 69 Ca 0.00 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 53.64 1x1f s LEU 69 Cb 0.00 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.74 1x1f s LEU 69 CO 0.00 0.10 0.37 0.42 -1.32 0.00 0.00 176.35 175.91 1x1f s THR 70 N 0.36 2.52 0.11 3.68 -4.23 -1.07 -4.96 115.64 112.06 1x1f s THR 70 Ca -0.10 -1.39 0.06 0.00 -1.18 0.00 0.00 61.69 59.08 1x1f s THR 70 Cb -0.14 -2.91 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 1x1f s THR 70 CO 0.04 0.00 -0.15 -1.61 -0.54 0.00 0.00 174.62 172.36 1x1f s GLU 71 N -4.13 1.00 -0.26 3.99 2.02 -1.26 -2.79 118.70 117.27 1x1f s GLU 71 Ca 0.46 -1.18 -0.00 0.00 0.02 0.00 0.00 54.97 54.27 1x1f s GLU 71 Cb -0.02 -0.95 0.04 0.00 0.10 0.00 0.00 34.13 33.29 1x1f s GLU 71 CO 0.27 0.19 -0.07 -0.65 0.02 0.00 0.00 175.26 175.02 1x1f s GLN 72 N -2.40 2.63 0.87 1.61 -1.52 -0.79 -4.93 119.66 115.13 1x1f s GLN 72 Ca 0.07 -1.11 -0.12 0.00 -1.95 0.00 0.00 55.36 52.25 1x1f s GLN 72 Cb -0.07 -2.97 0.09 0.00 -0.22 0.00 0.00 33.01 29.84 1x1f s GLN 72 CO 0.03 -0.47 0.98 -1.71 -0.25 0.00 0.00 175.29 173.87 1x1f n ASN 73 N 4.60 -0.00 -3.64 5.90 2.85 -1.26 -4.78 115.26 118.93 1x1f n ASN 73 Ca -0.16 0.47 -0.08 0.00 -0.11 0.00 0.00 54.58 54.71 1x1f n ASN 73 Cb 0.45 -1.42 -0.02 0.00 1.24 0.00 0.00 39.78 40.04 1x1f n ASN 73 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1x1f s SER 74 N -2.25 -0.34 0.12 1.20 0.01 -1.26 -5.10 113.70 106.09 1x1f s SER 74 Ca 0.67 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1x1f s SER 74 Cb -0.26 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1x1f s SER 74 CO 0.57 -0.96 0.00 0.41 0.41 0.00 0.00 173.24 173.68 1x1f n THR 75 N -0.39 1.03 -2.43 1.44 -1.04 -1.26 -4.95 114.28 106.69 1x1f n THR 75 Ca -0.09 0.34 -0.43 0.00 -2.04 0.00 0.00 64.05 61.83 1x1f n THR 75 Cb 0.62 -1.45 -0.02 0.00 -1.82 0.00 0.00 70.33 67.66 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 -2.00 3.73 0.01 -2.82 2.02 -1.26 -4.47 118.70 113.91 1x1f s GLU 76 Ca 0.00 0.98 -0.01 0.00 0.02 0.00 0.00 54.97 55.97 1x1f s GLU 76 Cb 0.00 -3.95 0.00 0.00 0.10 0.00 0.00 34.13 30.29 1x1f s GLU 76 CO 0.00 -1.36 0.01 1.63 0.02 0.00 0.00 175.26 175.56 1x1f n LYS 77 N 7.74 -5.22 -2.97 1.61 4.01 -1.26 -4.86 118.16 117.21 1x1f n LYS 77 Ca 0.15 3.79 -0.43 0.00 -0.51 0.00 0.00 58.31 61.31 1x1f n LYS 77 Cb 0.48 -4.78 -0.05 0.00 -0.51 0.00 0.00 35.03 30.16 1x1f n LYS 77 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1x1f s ASN 78 N -0.61 6.31 0.34 4.39 3.84 -1.26 -4.99 114.94 122.96 1x1f s ASN 78 Ca -0.01 -0.49 0.09 0.00 0.21 0.00 0.00 52.86 52.65 1x1f s ASN 78 Cb 0.00 -2.38 -0.05 0.00 -0.55 0.00 0.00 41.25 38.27 1x1f s ASN 78 CO 0.04 -1.06 0.00 0.00 -2.79 0.00 0.00 177.10 173.29 1x1f s ALA 80 N -2.52 3.27 -0.06 0.00 0.00 -1.26 -4.98 121.76 116.21 1x1f s ALA 80 Ca 0.34 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.36 1x1f s ALA 80 Cb 0.00 -3.82 0.03 0.00 0.00 0.00 0.00 23.12 19.32 1x1f s ALA 80 CO 0.19 -1.95 0.01 0.21 0.00 0.00 0.00 175.76 174.22 1x1f s LYS 81 N 4.41 0.43 0.06 0.00 2.20 -1.26 -4.17 119.74 121.41 1x1f s LYS 81 Ca 0.59 0.14 -0.13 0.00 -0.36 0.00 0.00 55.97 56.21 1x1f s LYS 81 Cb -0.16 -0.79 0.02 0.00 -1.51 0.00 0.00 37.83 35.38 1x1f s LYS 81 CO 0.26 -0.27 0.29 -0.59 -0.36 0.00 0.00 175.35 174.69 1x1f s PHE 82 N 1.78 -0.07 -0.06 4.03 -0.12 -1.24 -1.88 117.98 120.43 1x1f s PHE 82 Ca 0.01 -0.14 0.02 0.00 -0.05 0.00 0.00 56.93 56.77 1x1f s PHE 82 Cb -0.13 0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.32 1x1f s PHE 82 CO -0.04 -0.54 -0.10 0.99 -0.05 0.00 0.00 175.22 175.48 1x1f s THR 83 N -2.95 3.39 -0.35 -4.49 2.01 -1.12 -2.57 115.64 109.57 1x1f s THR 83 Ca -0.02 -0.60 -0.24 0.00 0.31 0.00 0.00 61.69 61.14 1x1f s THR 83 Cb 0.01 -2.36 0.01 0.00 0.01 0.00 0.00 72.50 70.16 1x1f s THR 83 CO -0.06 0.60 0.82 -0.76 -0.69 0.00 0.00 174.62 174.53 1x1f s LEU 84 N -0.77 4.09 -0.29 4.42 2.01 0.27 -2.59 118.68 125.82 1x1f s LEU 84 Ca 0.12 0.49 -0.18 0.00 0.01 0.00 0.00 54.13 54.57 1x1f s LEU 84 Cb -0.11 -3.10 -0.02 0.00 0.01 0.00 0.00 46.19 42.97 1x1f s LEU 84 CO 0.01 -0.73 0.50 -0.69 1.01 0.00 0.00 176.35 176.45 1x1f s VAL 85 N 3.15 5.06 0.21 -1.59 1.01 -1.03 -1.25 120.40 125.96 1x1f s VAL 85 Ca 0.33 0.71 0.09 0.00 0.00 0.00 0.00 61.98 63.12 1x1f s VAL 85 Cb -0.13 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1x1f s VAL 85 CO 0.16 0.01 -0.18 -0.76 0.00 0.00 0.00 175.10 174.33 1x1f s LEU 86 N 2.32 2.51 0.00 3.92 1.43 -1.22 0.18 118.68 127.82 1x1f s LEU 86 Ca 0.20 -0.95 0.20 0.00 -1.03 0.00 0.00 54.13 52.55 1x1f s LEU 86 Cb -0.16 -0.87 1.20 0.00 0.03 0.00 0.00 46.19 46.39 1x1f s LEU 86 CO 0.10 -0.05 1.63 -0.81 0.23 0.00 0.00 176.35 177.45 1x1f n PRO 87 N -0.13 0.75 0.01 1.29 -0.04 -1.26 -3.68 135.00 131.94 1x1f n PRO 87 Ca -0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.34 1x1f n PRO 87 Cb 0.59 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.92 0.13 -3.63 0.54 4.76 -1.26 -5.11 118.16 112.67 1x1f n LYS 88 Ca 0.15 0.05 -0.15 0.00 -2.87 0.00 0.00 58.31 55.49 1x1f n LYS 88 Cb 0.07 -0.72 -0.07 0.00 -1.84 0.00 0.00 35.03 32.47 1x1f n LYS 88 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1x1f s GLU 89 N -2.21 0.88 -0.14 1.97 2.12 -1.24 -5.15 118.70 114.93 1x1f s GLU 89 Ca -0.07 0.01 -0.14 0.00 0.36 0.00 0.00 54.97 55.12 1x1f s GLU 89 Cb 0.01 0.40 -0.05 0.00 0.26 0.00 0.00 34.13 34.76 1x1f s GLU 89 CO 0.10 -0.27 0.33 -1.21 -0.54 0.00 0.00 175.26 173.68 1x1f s GLU 90 N -1.37 4.22 0.02 4.30 2.02 -1.26 -3.45 118.70 123.18 1x1f s GLU 90 Ca -0.12 0.18 0.07 0.00 0.02 0.00 0.00 54.97 55.12 1x1f s GLU 90 Cb -0.02 -3.40 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 1x1f s GLU 90 CO 0.06 0.28 -0.19 0.08 0.02 0.00 0.00 175.26 175.51 1x1f s VAL 91 N 0.32 2.71 0.15 2.63 1.01 -0.38 -4.85 120.40 121.97 1x1f s VAL 91 Ca 0.19 -1.13 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 1x1f s VAL 91 Cb -0.14 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.08 1x1f s VAL 91 CO 0.06 0.40 0.40 -1.10 0.00 0.00 0.00 175.10 174.86 1x1f s GLN 92 N -1.24 3.65 -0.01 2.72 -0.21 -1.26 0.94 119.66 124.26 1x1f s GLN 92 Ca 0.13 -0.03 0.01 0.00 0.02 0.00 0.00 55.36 55.50 1x1f s GLN 92 Cb -0.10 -2.84 0.00 0.00 1.00 0.00 0.00 33.01 31.07 1x1f s GLN 92 CO 0.04 0.46 -0.04 -0.51 -2.12 0.00 0.00 175.29 173.12 1x1f s LEU 93 N -2.61 1.89 -0.11 2.90 1.02 -1.06 -3.38 118.68 117.34 1x1f s LEU 93 Ca 0.41 -0.07 -0.07 0.00 0.02 0.00 0.00 54.13 54.42 1x1f s LEU 93 Cb -0.12 -0.22 0.04 0.00 0.02 0.00 0.00 46.19 45.91 1x1f s LEU 93 CO 0.24 0.03 0.26 -0.75 0.02 0.00 0.00 176.35 176.14 1x1f s LYS 94 N 0.07 0.25 0.41 1.70 2.36 -0.97 -3.65 119.74 119.91 1x1f s LYS 94 Ca -0.00 0.49 0.04 0.00 -2.55 0.00 0.00 55.97 53.94 1x1f s LYS 94 Cb -0.03 -0.02 0.04 0.00 -1.05 0.00 0.00 37.83 36.76 1x1f s LYS 94 CO -0.00 -0.12 0.31 0.25 1.55 0.00 0.00 175.35 177.33 1x1f n THR 95 N 3.78 0.00 -0.06 3.43 -2.24 -1.26 -2.30 114.28 115.63 1x1f n THR 95 Ca -0.21 -1.63 -0.06 0.00 -2.27 0.00 0.00 64.05 59.88 1x1f n THR 95 Cb 0.55 -0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 1x1f n THR 95 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1f n GLU 96 N -1.46 0.38 -2.95 -0.78 1.02 -1.26 -4.93 120.64 110.66 1x1f n GLU 96 Ca -0.02 0.15 -0.41 0.00 -0.02 0.00 0.00 57.16 56.86 1x1f n GLU 96 Cb 0.47 -1.15 -0.05 0.00 -0.02 0.00 0.00 31.44 30.69 1x1f n GLU 96 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1x1f s ASN 97 N -5.55 6.83 0.28 1.62 -0.87 -1.26 -4.93 114.94 111.07 1x1f s ASN 97 Ca -0.21 1.03 -0.04 0.00 -1.57 0.00 0.00 52.86 52.07 1x1f s ASN 97 Cb 0.03 -2.42 0.57 0.00 -0.02 0.00 0.00 41.25 39.41 1x1f s ASN 97 CO 0.31 -0.41 1.51 0.41 -2.57 0.00 0.00 177.10 176.34 1x1f n THR 98 N 4.95 -0.41 0.04 1.60 -1.04 -1.26 0.62 114.28 118.79 1x1f n THR 98 Ca 0.03 2.17 -0.11 0.00 -2.04 0.00 0.00 64.05 64.10 1x1f n THR 98 Cb 0.48 -3.08 -0.04 0.00 -1.82 0.00 0.00 70.33 65.87 1x1f n THR 98 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1x1f h GLU 99 N 0.00 -0.40 -1.41 -2.82 4.39 -1.99 0.20 114.58 112.55 1x1f h GLU 99 Ca 0.52 0.03 0.48 0.00 0.34 0.00 0.00 59.36 60.72 1x1f h GLU 99 Cb 0.92 0.09 -0.13 0.00 -0.10 0.00 0.00 28.75 29.53 1x1f h GLU 99 CO -0.96 -0.27 0.92 1.03 -1.16 0.00 0.00 179.01 178.58 1x1f h SER 100 N -0.41 0.19 0.71 1.42 0.87 -0.21 0.52 113.55 116.64 1x1f h SER 100 Ca 0.07 0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1x1f h SER 100 Cb 0.52 0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1x1f h SER 100 CO -0.27 -0.22 -0.35 1.23 -0.53 0.00 0.00 176.83 176.68 1x1f h GLY 101 N 0.02 -1.02 0.11 5.77 0.00 -0.68 -2.07 103.07 105.21 1x1f h GLY 101 Ca 0.87 0.38 0.25 0.00 0.00 0.00 0.00 47.33 48.84 1x1f h GLY 101 CO -0.42 -0.37 0.66 0.83 0.00 0.00 0.00 176.54 177.24 1x1f h GLU 102 N -0.97 0.18 0.22 4.80 3.07 0.08 0.29 114.58 122.25 1x1f h GLU 102 Ca -0.10 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 1x1f h GLU 102 Cb 0.75 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1x1f h GLU 102 CO 0.15 0.12 -0.11 0.93 -1.40 0.00 0.00 179.01 178.70 1x1f h GLU 103 N 0.19 -0.29 0.27 2.33 4.39 -0.84 -0.30 114.58 120.33 1x1f h GLU 103 Ca 0.48 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.20 1x1f h GLU 103 Cb 1.58 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 30.27 1x1f h GLU 103 CO -0.11 -0.19 -0.42 -1.49 -1.16 0.00 0.00 179.01 175.64 1x1f h TRP 104 N -0.34 -1.19 -0.85 4.33 4.06 -0.75 0.26 115.95 121.47 1x1f h TRP 104 Ca -0.03 0.02 0.15 0.00 2.06 0.00 0.00 58.89 61.09 1x1f h TRP 104 Cb 0.23 0.48 -0.15 0.00 -1.00 0.00 0.00 29.16 28.72 1x1f h TRP 104 CO 0.14 -0.52 -0.27 -2.13 -3.56 0.00 0.00 178.44 172.10 1x1f n ARG 105 N -4.91 -0.13 0.01 0.49 0.63 0.96 0.81 116.66 114.53 1x1f n ARG 105 Ca -0.09 1.32 -0.01 0.00 -0.92 0.00 0.00 57.85 58.16 1x1f n ARG 105 Cb 0.36 -1.97 -0.00 0.00 0.45 0.00 0.00 32.46 31.30 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 -0.04 -0.97 5.14 0.00 -0.21 0.53 103.07 107.52 1x1f h GLY 106 Ca 0.36 0.01 0.31 0.00 0.00 0.00 0.00 47.33 48.01 1x1f h GLY 106 CO -0.86 -0.01 0.18 0.69 0.00 0.00 0.00 176.54 176.53 1x1f n PHE 107 N -2.12 0.78 0.30 5.60 3.72 0.83 0.11 117.46 126.68 1x1f n PHE 107 Ca -0.00 1.16 -0.13 0.00 -0.05 0.00 0.00 57.45 58.43 1x1f n PHE 107 Cb 0.02 -1.33 -0.06 0.00 -0.94 0.00 0.00 39.48 37.17 1x1f n PHE 107 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1x1f h ILE 108 N 0.00 0.01 -0.21 4.37 5.03 0.45 -0.43 117.51 126.74 1x1f h ILE 108 Ca 0.66 -0.41 0.06 0.00 -0.12 0.00 0.00 64.86 65.05 1x1f h ILE 108 Cb 1.52 0.02 -0.01 0.00 -3.03 0.00 0.00 36.82 35.32 1x1f h ILE 108 CO -0.86 0.00 0.74 -0.07 -0.68 0.00 0.00 178.15 177.28 1x1f h LEU 109 N -1.21 0.00 0.00 1.44 3.38 0.31 0.82 115.31 120.05 1x1f h LEU 109 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1x1f h LEU 109 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1x1f h LEU 109 CO 0.14 0.00 -0.22 0.74 0.09 0.00 0.00 178.44 179.18 1x1f h THR 110 N 0.00 0.18 0.00 0.22 2.02 0.02 0.19 112.91 115.54 1x1f h THR 110 Ca 0.10 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.12 1x1f h THR 110 Cb 1.57 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1x1f h THR 110 CO -0.00 0.06 0.00 1.33 0.37 0.00 0.00 175.52 177.28 1x1f n VAL 111 N -4.70 1.52 -0.09 3.16 0.24 0.50 0.23 118.33 119.19 1x1f n VAL 111 Ca -0.05 0.48 -0.09 0.00 -2.04 0.00 0.00 64.34 62.65 1x1f n VAL 111 Cb 0.15 -1.42 -0.03 0.00 -1.47 0.00 0.00 33.84 31.07 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 -1.71 1.49 0.25 3.34 -2.24 0.25 -4.50 114.28 111.17 1x1f n THR 112 Ca 0.01 0.15 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 1x1f n THR 112 Cb 0.06 -2.35 0.59 0.00 -2.10 0.00 0.00 70.33 66.53 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 -1.00 0.00 -0.05 -0.78 4.39 -0.46 -3.46 114.58 113.22 1x1f h GLU 113 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1x1f h GLU 113 Cb 0.96 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 1x1f h GLU 113 CO -0.00 0.14 -0.02 -0.11 -1.16 0.00 0.00 179.01 177.86 1x1f n LEU 114 N -3.35 -0.03 0.00 1.33 -0.00 0.61 -4.97 117.00 110.59 1x1f n LEU 114 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1x1f n LEU 114 Cb 0.35 -0.69 0.00 0.00 -0.00 0.00 0.00 43.42 43.08 1x1f n LEU 114 CO 0.31 -0.09 0.00 -0.24 -0.00 0.00 0.00 177.39 177.37 1x1f n SER 115 N 0.87 0.14 -3.98 1.96 2.88 -1.13 -5.00 113.62 109.36 1x1f n SER 115 Ca -0.01 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.26 1x1f n SER 115 Cb 0.05 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.34 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 -0.47 1.25 0.18 2.46 1.01 -1.26 -4.06 120.40 119.50 1x1f s VAL 116 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 1x1f s VAL 116 Cb 0.00 -1.20 -0.08 0.00 0.00 0.00 0.00 36.38 35.11 1x1f s VAL 116 CO 0.00 0.40 1.12 -2.16 0.00 0.00 0.00 175.10 174.46 1x1f s PRO 117 N 1.36 4.58 0.00 2.72 0.04 -1.26 -4.93 135.00 137.50 1x1f s PRO 117 Ca -0.00 1.75 0.24 0.00 0.04 0.00 0.00 61.00 63.03 1x1f s PRO 117 Cb -0.14 -3.27 0.37 0.00 0.04 0.00 0.00 34.50 31.50 1x1f s PRO 117 CO -0.06 0.05 1.32 1.04 0.04 0.00 0.00 177.00 179.39 1x1f n GLN 118 N 2.36 0.23 -1.59 4.56 6.02 -1.26 -4.29 117.38 123.40 1x1f n GLN 118 Ca 0.03 -0.15 -0.30 0.00 -0.01 0.00 0.00 57.00 56.57 1x1f n GLN 118 Cb 0.46 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.17 1x1f n GLN 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x1f n ASN 119 N -1.26 6.87 -4.10 1.08 4.13 -1.26 -4.86 115.26 115.86 1x1f n ASN 119 Ca 0.07 -3.13 -0.25 0.00 1.68 0.00 0.00 54.58 52.95 1x1f n ASN 119 Cb 0.34 -1.29 -0.16 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 -1.64 1.27 -1.95 2.41 -7.23 -1.26 -5.00 120.40 107.01 1x1f s VAL 120 Ca 0.58 -0.63 0.26 0.00 -1.81 0.00 0.00 61.98 60.39 1x1f s VAL 120 Cb 0.32 -1.10 0.30 0.00 0.56 0.00 0.00 36.38 36.45 1x1f s VAL 120 CO -0.17 0.37 1.55 -0.24 -0.31 0.00 0.00 175.10 176.31 1x1f n SER 121 N 3.21 1.24 -4.24 4.85 2.88 -1.26 -4.95 113.62 115.35 1x1f n SER 121 Ca -0.18 -1.08 -0.34 0.00 -1.33 0.00 0.00 58.87 55.93 1x1f n SER 121 Cb 0.53 0.13 0.09 0.00 -0.75 0.00 0.00 64.21 64.22 1x1f n SER 121 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1x1f n LEU 122 N -0.40 -2.60 -4.57 2.46 7.94 -1.26 -4.92 117.00 113.65 1x1f n LEU 122 Ca 0.13 0.25 -0.28 0.00 -1.11 0.00 0.00 56.01 55.00 1x1f n LEU 122 Cb 0.37 -1.01 0.22 0.00 0.53 0.00 0.00 43.42 43.53 1x1f n LEU 122 CO 0.24 -4.52 0.57 -0.76 -1.11 0.00 0.00 177.39 171.81 1x1f s LEU 123 N 2.60 1.12 0.00 -1.96 2.01 -1.26 -4.79 118.68 116.40 1x1f s LEU 123 Ca 0.50 1.36 0.22 0.00 0.01 0.00 0.00 54.13 56.22 1x1f s LEU 123 Cb -0.19 -3.38 1.02 0.00 0.01 0.00 0.00 46.19 43.65 1x1f s LEU 123 CO 0.73 -3.78 1.72 -0.81 1.01 0.00 0.00 176.35 175.22 1x1f n PRO 124 N -4.62 0.13 -0.08 1.29 -0.04 -1.26 -2.12 135.00 128.29 1x1f n PRO 124 Ca 0.04 0.10 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 1x1f n PRO 124 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.71 -0.75 0.17 0.55 0.00 -1.26 -4.24 105.19 100.37 1x1f n GLY 125 Ca 0.07 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 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 0.01 0.53 -1.06 1.61 1.08 -1.88 -3.07 115.11 112.33 1x1f h GLN 126 Ca -0.49 -0.43 0.29 0.00 -1.45 0.00 0.00 58.65 56.57 1x1f h GLN 126 Cb 2.07 0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 29.52 1x1f h GLN 126 CO 0.01 1.05 0.72 0.28 -0.95 0.00 0.00 178.83 179.95 1x1f h VAL 127 N 0.14 0.49 -0.46 -0.54 2.07 -1.63 0.48 116.25 116.80 1x1f h VAL 127 Ca -0.03 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.49 1x1f h VAL 127 Cb 1.14 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 1x1f h VAL 127 CO 0.10 0.04 0.11 0.40 0.02 0.00 0.00 177.57 178.24 1x1f h ILE 128 N 0.21 0.77 -0.69 4.57 2.04 -1.71 -1.69 117.51 121.01 1x1f h ILE 128 Ca 0.56 -0.09 0.11 0.00 1.00 0.00 0.00 64.86 66.45 1x1f h ILE 128 Cb 1.77 0.50 -0.12 0.00 -0.74 0.00 0.00 36.82 38.22 1x1f h ILE 128 CO -0.16 0.05 -0.37 0.11 0.00 0.00 0.00 178.15 177.77 1x1f h LYS 129 N 0.25 -0.13 -0.94 2.37 1.79 -0.14 1.10 116.57 120.87 1x1f h LYS 129 Ca 0.23 0.01 0.22 0.00 -2.18 0.00 0.00 60.65 58.93 1x1f h LYS 129 Cb 0.28 0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 30.84 1x1f h LYS 129 CO -0.28 -0.09 0.48 -0.07 -1.08 0.00 0.00 179.45 178.42 1x1f h LEU 130 N -0.13 0.50 -0.52 2.94 3.38 -1.34 1.76 115.31 121.90 1x1f h LEU 130 Ca 0.25 0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.27 1x1f h LEU 130 Cb 0.56 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1x1f h LEU 130 CO -0.76 0.07 -0.03 0.45 0.09 0.00 0.00 178.44 178.27 1x1f h HIS 131 N 0.50 1.03 0.21 1.13 3.86 0.13 -0.13 115.15 121.88 1x1f h HIS 131 Ca 0.59 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.60 1x1f h HIS 131 Cb 1.08 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.29 1x1f h HIS 131 CO -0.08 0.96 -0.10 0.93 0.86 0.00 0.00 177.93 180.50 1x1f h GLU 132 N 0.81 -0.27 -0.89 2.45 5.08 0.40 -2.38 114.58 119.78 1x1f h GLU 132 Ca 0.14 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.68 1x1f h GLU 132 Cb 0.56 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.78 1x1f h GLU 132 CO 0.03 0.11 0.47 0.28 -1.00 0.00 0.00 179.01 178.90 1x1f h VAL 133 N -0.75 0.71 0.26 3.13 2.07 0.23 0.23 116.25 122.13 1x1f h VAL 133 Ca -0.03 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1x1f h VAL 133 Cb 0.50 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1x1f h VAL 133 CO 0.05 0.12 -0.22 0.25 0.02 0.00 0.00 177.57 177.79 1x1f h LEU 134 N 0.65 -0.58 -1.79 2.57 5.85 -0.97 0.13 115.31 121.17 1x1f h LEU 134 Ca 0.49 0.04 0.27 0.00 0.84 0.00 0.00 57.88 59.52 1x1f h LEU 134 Cb 0.72 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 1x1f h LEU 134 CO -0.37 -0.30 0.68 -0.33 -0.34 0.00 0.00 178.44 177.77 1x1f h GLU 135 N -0.46 0.14 0.69 1.25 5.08 -0.86 0.72 114.58 121.14 1x1f h GLU 135 Ca -0.03 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1x1f h GLU 135 Cb 0.39 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1x1f h GLU 135 CO -0.00 0.09 -0.33 0.00 -1.00 0.00 0.00 179.01 177.77 1x1f h ARG 136 N 0.15 -0.89 0.00 2.33 2.47 0.34 -2.94 114.38 115.84 1x1f h ARG 136 Ca 0.49 0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 59.25 1x1f h ARG 136 Cb 1.68 0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 30.20 1x1f h ARG 136 CO -0.09 -0.59 -0.11 1.05 0.56 0.00 0.00 179.97 180.79 1x1f h GLU 137 N -1.07 0.00 -0.05 0.04 4.11 0.38 -2.89 114.58 115.10 1x1f h GLU 137 Ca -0.09 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.37 1x1f h GLU 137 Cb 0.71 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 1x1f h GLU 137 CO 0.15 0.11 -0.41 0.87 0.07 0.00 0.00 179.01 179.81 1x1f h LYS 138 N 0.00 -0.51 -0.72 1.06 1.57 0.58 -1.24 116.57 117.31 1x1f h LYS 138 Ca -0.00 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.95 1x1f h LYS 138 Cb 0.30 0.12 -0.13 0.00 0.08 0.00 0.00 32.23 32.59 1x1f h LYS 138 CO 0.01 -0.34 -0.28 0.87 -0.57 0.00 0.00 179.45 179.14 1x1f h LYS 139 N -0.53 -0.07 -0.99 3.15 1.79 -1.35 0.61 116.57 119.18 1x1f h LYS 139 Ca 0.06 0.00 0.35 0.00 -2.18 0.00 0.00 60.65 58.89 1x1f h LYS 139 Cb 0.63 0.02 -0.18 0.00 -1.58 0.00 0.00 32.23 31.12 1x1f h LYS 139 CO -0.34 -0.05 0.31 -2.13 -1.08 0.00 0.00 179.45 176.17 1x1f n ARG 140 N -5.47 -0.07 -0.24 3.15 0.63 -0.48 0.16 116.66 114.35 1x1f n ARG 140 Ca 0.08 1.41 0.04 0.00 -0.92 0.00 0.00 57.85 58.46 1x1f n ARG 140 Cb 0.38 -2.41 0.15 0.00 0.45 0.00 0.00 32.46 31.03 1x1f n ARG 140 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x1f h ARG 141 N 0.00 0.19 0.00 -0.14 3.08 0.43 0.61 114.38 118.55 1x1f h ARG 141 Ca 0.74 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.78 1x1f h ARG 141 Cb 1.80 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.81 1x1f h ARG 141 CO -0.83 0.13 0.00 -0.89 -1.07 0.00 0.00 179.97 177.30 1x1f n ILE 142 N -5.22 0.00 -0.13 2.04 5.41 0.43 -3.08 119.36 118.81 1x1f n ILE 142 Ca 0.12 0.89 -0.07 0.00 1.00 0.00 0.00 62.75 64.70 1x1f n ILE 142 Cb 0.43 -1.54 -0.05 0.00 -0.71 0.00 0.00 39.64 37.77 1x1f n ILE 142 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1x1f h GLU 143 N 0.00 -0.12 -2.01 0.38 5.08 -1.59 -3.48 114.58 112.84 1x1f h GLU 143 Ca 0.00 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1x1f h GLU 143 Cb 0.00 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1x1f h GLU 143 CO 0.00 -0.08 -0.64 0.45 -1.00 0.00 0.00 179.01 177.74 1x1f n SER 144 N -4.12 -4.52 0.00 1.42 2.88 0.19 -5.09 113.62 104.38 1x1f n SER 144 Ca -0.01 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1x1f n SER 144 Cb 0.16 -2.62 0.00 0.00 -0.75 0.00 0.00 64.21 61.00 1x1f n SER 144 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1f n GLY 145 N -2.81 5.08 0.10 0.46 0.00 -1.26 -5.07 105.19 101.69 1x1f n GLY 145 Ca -0.03 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 1x1f n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1f h PRO 146 N 0.00 0.19 0.00 1.61 0.13 -2.04 -3.48 132.00 128.41 1x1f h PRO 146 Ca 0.00 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1x1f h PRO 146 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1x1f h PRO 146 CO 0.00 0.89 0.00 -1.13 -0.23 0.00 0.00 178.00 177.53 1x1f n SER 147 N -4.51 0.00 -4.61 1.44 3.41 -1.26 -5.10 113.62 102.99 1x1f n SER 147 Ca -0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.09 1x1f n SER 147 Cb 0.49 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1x1f n SER 147 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x1f s SER 148 N 0.00 6.02 0.00 4.04 1.04 -1.26 -5.03 113.70 118.52 1x1f s SER 148 Ca 0.00 1.51 0.13 0.00 0.48 0.00 0.00 55.95 58.07 1x1f s SER 148 Cb 0.00 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.70 1x1f s SER 148 CO 0.00 -1.57 0.92 0.61 0.98 0.00 0.00 173.24 174.19