#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 0.03 0.00 1.61 3.41 -1.26 -5.05 113.62 112.36 1x1f n SER 2 Ca 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1x1f n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1x1f n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x1f n SER 3 N -2.78 0.00 0.00 4.04 7.64 -1.26 -4.37 113.62 116.89 1x1f n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x1f n SER 3 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1x1f n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1f n GLY 4 N 0.00 1.04 3.23 0.23 0.00 -1.26 -5.16 105.19 103.27 1x1f n GLY 4 Ca 0.00 0.35 0.04 0.00 0.00 0.00 0.00 46.02 46.41 1x1f n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1f s SER 5 N 0.00 -1.04 0.04 1.61 0.01 -1.26 -5.16 113.70 107.90 1x1f s SER 5 Ca 0.00 0.79 0.05 0.00 1.31 0.00 0.00 55.95 58.10 1x1f s SER 5 Cb 0.00 1.93 -0.02 0.00 0.21 0.00 0.00 66.02 68.14 1x1f s SER 5 CO 0.00 -0.19 -0.13 -0.55 0.41 0.00 0.00 173.24 172.77 1x1f s SER 6 N 2.85 1.56 0.67 2.44 0.15 -1.26 -5.16 113.70 114.95 1x1f s SER 6 Ca 0.10 -0.47 -0.01 0.00 0.70 0.00 0.00 55.95 56.27 1x1f s SER 6 Cb -0.13 -0.09 0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1x1f s SER 6 CO -0.18 0.00 0.24 0.61 1.20 0.00 0.00 173.24 175.12 1x1f n GLY 7 N 1.84 -0.02 3.15 9.45 0.00 -1.26 -5.11 105.19 113.24 1x1f n GLY 7 Ca -0.18 -1.86 0.03 0.00 0.00 0.00 0.00 46.02 44.00 1x1f n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x1f s GLN 8 N -3.22 0.62 -0.87 1.61 0.74 -1.26 -5.00 119.66 112.29 1x1f s GLN 8 Ca 0.15 0.10 -0.05 0.00 0.05 0.00 0.00 55.36 55.60 1x1f s GLN 8 Cb -0.01 0.15 0.00 0.00 1.10 0.00 0.00 33.01 34.25 1x1f s GLN 8 CO 0.10 -0.99 0.66 -1.91 -0.55 0.00 0.00 175.29 172.60 1x1f n GLU 9 N 4.79 -1.36 -1.67 1.67 2.13 -1.26 -4.71 120.64 120.23 1x1f n GLU 9 Ca 0.08 0.86 -0.34 0.00 0.66 0.00 0.00 57.16 58.42 1x1f n GLU 9 Cb 0.56 -3.42 -0.03 0.00 0.27 0.00 0.00 31.44 28.82 1x1f n GLU 9 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1x1f s ARG 10 N -4.74 2.16 1.00 5.31 6.06 -1.26 -4.91 118.95 122.57 1x1f s ARG 10 Ca 0.09 1.10 -0.17 0.00 -2.50 0.00 0.00 55.73 54.26 1x1f s ARG 10 Cb -0.04 -4.58 -0.02 0.00 0.06 0.00 0.00 34.95 30.37 1x1f s ARG 10 CO 0.86 -3.29 -0.17 1.28 -2.50 0.00 0.00 175.30 171.48 1x1f n LEU 11 N 15.51 -2.34 -4.40 -0.88 4.32 -1.26 -4.86 117.00 123.08 1x1f n LEU 11 Ca 0.34 0.16 -0.44 0.00 -0.02 0.00 0.00 56.01 56.06 1x1f n LEU 11 Cb 0.53 -0.98 -0.04 0.00 -1.62 0.00 0.00 43.42 41.31 1x1f n LEU 11 CO 0.69 -3.99 0.50 -0.75 -1.22 0.00 0.00 177.39 172.62 1x1f s LYS 12 N -3.04 3.08 0.01 3.23 2.20 -1.26 -5.02 119.74 118.93 1x1f s LYS 12 Ca 0.50 -1.13 0.05 0.00 -0.36 0.00 0.00 55.97 55.03 1x1f s LYS 12 Cb -0.15 -4.24 -0.03 0.00 -1.51 0.00 0.00 37.83 31.90 1x1f s LYS 12 CO 0.71 -1.58 -0.12 0.42 -0.36 0.00 0.00 175.35 174.42 1x1f s ILE 13 N 3.07 3.28 0.03 5.43 1.09 -1.26 -5.12 121.20 127.72 1x1f s ILE 13 Ca 0.15 -0.90 -0.25 0.00 -1.10 0.00 0.00 60.65 58.55 1x1f s ILE 13 Cb -0.22 -2.39 0.06 0.00 -1.06 0.00 0.00 42.46 38.86 1x1f s ILE 13 CO 0.08 0.41 0.59 0.28 -0.10 0.00 0.00 174.94 176.20 1x1f s THR 14 N -0.93 0.01 0.00 2.92 -1.32 -1.26 -4.98 115.64 110.08 1x1f s THR 14 Ca 0.15 -0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1x1f s THR 14 Cb -0.11 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 1x1f s THR 14 CO 0.06 -0.06 0.00 0.00 -2.21 0.00 0.00 174.62 172.40 1x1f n ALA 15 N 0.48 0.00 -3.59 11.08 0.00 -1.26 -4.73 120.51 122.49 1x1f n ALA 15 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.87 1x1f n ALA 15 Cb 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.94 1x1f n ALA 15 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x1f s LEU 16 N 0.00 5.23 0.22 0.00 2.96 -1.26 -5.08 118.68 120.76 1x1f s LEU 16 Ca 0.00 -1.81 -0.30 0.00 -0.22 0.00 0.00 54.13 51.80 1x1f s LEU 16 Cb 0.00 -1.90 -0.09 0.00 0.50 0.00 0.00 46.19 44.70 1x1f s LEU 16 CO 0.00 -0.56 1.10 -2.16 -1.32 0.00 0.00 176.35 173.41 1x1f s PRO 17 N 1.27 4.62 0.37 0.98 0.04 -1.26 -4.90 135.00 136.12 1x1f s PRO 17 Ca 0.05 1.75 -0.25 0.00 0.04 0.00 0.00 61.00 62.59 1x1f s PRO 17 Cb -0.23 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 30.98 1x1f s PRO 17 CO -0.02 0.14 1.07 -1.17 0.04 0.00 0.00 177.00 177.07 1x1f s LEU 18 N -0.85 4.24 -0.04 -3.56 2.96 -1.26 -3.88 118.68 116.28 1x1f s LEU 18 Ca 0.47 2.11 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 1x1f s LEU 18 Cb -0.31 -4.05 -0.03 0.00 0.50 0.00 0.00 46.19 42.31 1x1f s LEU 18 CO 0.37 -0.43 -0.04 -1.22 -1.32 0.00 0.00 176.35 173.72 1x1f n TYR 19 N 0.23 0.00 -3.51 5.38 4.01 -1.00 -5.02 117.16 117.25 1x1f n TYR 19 Ca 0.04 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.64 1x1f n TYR 19 Cb 0.48 -0.16 -0.04 0.00 -0.31 0.00 0.00 39.34 39.31 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 -0.50 -0.17 -0.72 5.36 -1.18 -5.00 117.98 113.68 1x1f s PHE 20 Ca -0.06 0.51 -0.11 0.00 -0.96 0.00 0.00 56.93 56.31 1x1f s PHE 20 Cb 0.01 0.44 0.06 0.00 -0.34 0.00 0.00 43.02 43.19 1x1f s PHE 20 CO 0.09 -0.72 0.43 -1.83 -1.46 0.00 0.00 175.22 171.73 1x1f s GLU 21 N -2.79 0.44 0.00 10.12 -1.05 -1.26 0.21 118.70 124.37 1x1f s GLU 21 Ca -0.03 0.76 0.00 0.00 -0.15 0.00 0.00 54.97 55.54 1x1f s GLU 21 Cb -0.00 0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.75 1x1f s GLU 21 CO -0.04 -0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.45 1x1f n GLY 22 N 3.85 0.88 3.55 -3.83 0.00 -0.74 -5.02 105.19 103.88 1x1f n GLY 22 Ca -0.20 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 1x1f n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x1f s PHE 23 N -2.00 1.75 0.19 1.61 0.08 -1.26 -2.00 117.98 116.35 1x1f s PHE 23 Ca 0.00 0.70 0.03 0.00 0.12 0.00 0.00 56.93 57.78 1x1f s PHE 23 Cb 0.00 -4.15 -0.03 0.00 -0.57 0.00 0.00 43.02 38.27 1x1f s PHE 23 CO 0.00 -2.31 0.33 -1.17 -0.10 0.00 0.00 175.22 171.97 1x1f s LEU 24 N 8.54 4.31 -0.20 -0.37 2.96 -0.96 -4.87 118.68 128.09 1x1f s LEU 24 Ca 0.65 0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 54.66 1x1f s LEU 24 Cb -0.13 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 1x1f s LEU 24 CO 0.21 -0.01 0.00 -0.76 -1.32 0.00 0.00 176.35 174.47 1x1f s LEU 25 N -3.57 3.29 0.01 -0.68 1.43 -1.15 -2.97 118.68 115.04 1x1f s LEU 25 Ca 0.35 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.31 1x1f s LEU 25 Cb -0.10 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1x1f s LEU 25 CO 0.29 0.07 -0.13 -0.63 0.23 0.00 0.00 176.35 176.18 1x1f s ILE 26 N 0.98 3.20 -0.41 -0.59 -1.09 -1.22 -2.41 121.20 119.65 1x1f s ILE 26 Ca 0.02 -0.92 0.09 0.00 -2.23 0.00 0.00 60.65 57.60 1x1f s ILE 26 Cb -0.14 -2.35 0.29 0.00 -1.58 0.00 0.00 42.46 38.68 1x1f s ILE 26 CO 0.02 0.41 0.75 1.17 -1.23 0.00 0.00 174.94 176.06 1x1f n LYS 27 N 1.70 0.86 0.00 2.79 4.81 -1.12 -1.65 118.16 125.54 1x1f n LYS 27 Ca -0.16 -2.79 0.00 0.00 -0.87 0.00 0.00 58.31 54.49 1x1f n LYS 27 Cb 0.52 -1.38 0.00 0.00 0.02 0.00 0.00 35.03 34.19 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 0.92 1.50 -2.95 1.64 1.74 -1.26 -4.01 116.66 114.24 1x1f n ARG 28 Ca 0.18 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.82 1x1f n ARG 28 Cb 0.62 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.03 1x1f n ARG 28 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1x1f s SER 29 N -1.63 6.44 0.00 0.55 1.04 -1.26 -3.85 113.70 114.99 1x1f s SER 29 Ca 0.00 -1.68 0.00 0.00 0.48 0.00 0.00 55.95 54.75 1x1f s SER 29 Cb 0.00 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1x1f s SER 29 CO 0.00 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.67 1x1f n GLY 30 N 5.35 0.93 0.00 7.32 0.00 -1.26 -5.05 105.19 112.49 1x1f n GLY 30 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.25 -5.01 117.16 116.52 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 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1x1f n TYR 31 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1x1f n ARG 32 N -2.09 0.00 -4.12 -0.72 5.12 -1.26 -4.65 116.66 108.93 1x1f n ARG 32 Ca 0.00 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.68 1x1f n ARG 32 Cb 0.44 0.00 -0.17 0.00 -1.16 0.00 0.00 32.46 31.57 1x1f n ARG 32 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1x1f s GLU 33 N 0.00 1.20 0.07 5.56 2.02 -1.26 -5.10 118.70 121.19 1x1f s GLU 33 Ca 0.00 -0.18 -0.35 0.00 0.02 0.00 0.00 54.97 54.46 1x1f s GLU 33 Cb 0.00 -1.21 -0.18 0.00 0.10 0.00 0.00 34.13 32.84 1x1f s GLU 33 CO 0.00 -0.15 0.84 0.66 0.02 0.00 0.00 175.26 176.64 1x1f n TYR 34 N 4.43 0.22 -4.08 1.61 4.01 -1.26 -4.92 117.16 117.18 1x1f n TYR 34 Ca -0.18 1.00 -0.35 0.00 -0.16 0.00 0.00 57.90 58.21 1x1f n TYR 34 Cb 0.51 -1.98 -0.11 0.00 -0.31 0.00 0.00 39.34 37.45 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 -0.35 3.82 -0.14 -0.72 2.02 -0.66 -4.90 118.70 117.77 1x1f s GLU 35 Ca 0.79 -0.42 -0.29 0.00 0.02 0.00 0.00 54.97 55.06 1x1f s GLU 35 Cb -1.11 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 29.94 1x1f s GLU 35 CO 0.55 0.17 1.44 -1.58 0.02 0.00 0.00 175.26 175.86 1x1f s HIS 36 N 0.61 2.46 -0.08 1.61 5.65 -1.26 -3.37 115.29 120.90 1x1f s HIS 36 Ca 0.01 0.67 -0.07 0.00 0.25 0.00 0.00 55.06 55.92 1x1f s HIS 36 Cb -0.13 -3.72 0.02 0.00 -1.18 0.00 0.00 32.58 27.57 1x1f s HIS 36 CO 0.02 -2.57 0.21 0.71 -0.65 0.00 0.00 174.74 172.45 1x1f s TYR 37 N 3.91 -0.23 -0.90 3.88 2.02 -1.16 -5.01 117.35 119.87 1x1f s TYR 37 Ca 0.63 0.55 -0.25 0.00 -0.37 0.00 0.00 57.07 57.63 1x1f s TYR 37 Cb -0.26 0.08 -0.09 0.00 -0.40 0.00 0.00 41.96 41.29 1x1f s TYR 37 CO 0.22 -0.11 2.10 -0.46 -1.57 0.00 0.00 175.55 175.72 1x1f s TRP 38 N 0.13 1.59 -0.23 2.71 -0.11 0.36 -2.27 118.94 121.11 1x1f s TRP 38 Ca -0.00 1.11 -0.28 0.00 1.22 0.00 0.00 56.10 58.16 1x1f s TRP 38 Cb -0.02 -3.82 0.00 0.00 -1.50 0.00 0.00 33.47 28.14 1x1f s TRP 38 CO 0.00 -1.60 0.97 0.99 -4.62 0.00 0.00 176.95 172.70 1x1f s THR 39 N 11.93 4.73 -0.14 5.86 2.01 -0.85 -0.96 115.64 138.23 1x1f s THR 39 Ca 0.77 1.88 -0.00 0.00 0.31 0.00 0.00 61.69 64.65 1x1f s THR 39 Cb -0.08 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.17 1x1f s THR 39 CO 0.04 -0.14 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.10 1x1f s GLU 40 N 3.03 3.38 -0.20 4.92 2.02 0.49 -1.80 118.70 130.55 1x1f s GLU 40 Ca 0.41 -0.68 -0.19 0.00 0.02 0.00 0.00 54.97 54.53 1x1f s GLU 40 Cb -0.15 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.39 1x1f s GLU 40 CO 0.07 0.19 0.54 -1.17 0.02 0.00 0.00 175.26 174.91 1x1f s LEU 41 N 0.43 4.15 -0.20 1.80 0.20 0.13 0.52 118.68 125.71 1x1f s LEU 41 Ca -0.10 0.72 -0.10 0.00 0.69 0.00 0.00 54.13 55.34 1x1f s LEU 41 Cb -0.16 -2.75 0.07 0.00 -0.43 0.00 0.00 46.19 42.93 1x1f s LEU 41 CO 0.05 -0.19 0.47 -0.13 -0.29 0.00 0.00 176.35 176.26 1x1f s ARG 42 N 1.65 0.43 -0.70 1.98 0.52 -1.06 -2.38 118.95 119.40 1x1f s ARG 42 Ca 0.25 0.96 -0.08 0.00 -0.52 0.00 0.00 55.73 56.34 1x1f s ARG 42 Cb -0.16 0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.47 1x1f s ARG 42 CO 0.10 -0.18 0.46 0.41 0.02 0.00 0.00 175.30 176.10 1x1f n GLY 43 N 4.63 -0.86 4.12 -3.53 0.00 -1.25 -0.08 105.19 108.22 1x1f n GLY 43 Ca -0.18 0.39 -0.45 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.66 -2.43 -3.21 2.61 -2.24 -1.26 -4.93 114.28 100.16 1x1f n THR 44 Ca -0.19 -0.58 -0.01 0.00 -2.27 0.00 0.00 64.05 61.00 1x1f n THR 44 Cb 0.48 -2.08 -0.02 0.00 -2.10 0.00 0.00 70.33 66.61 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 -3.65 -0.86 -0.44 4.28 2.01 0.89 -4.03 115.64 113.83 1x1f s THR 45 Ca 0.43 -0.09 -0.28 0.00 0.31 0.00 0.00 61.69 62.06 1x1f s THR 45 Cb -0.24 -0.98 -0.00 0.00 0.01 0.00 0.00 72.50 71.29 1x1f s THR 45 CO 0.98 -0.09 1.57 -0.76 -0.69 0.00 0.00 174.62 175.63 1x1f s LEU 46 N 2.73 3.49 -0.29 4.42 1.43 -0.64 -2.55 118.68 127.26 1x1f s LEU 46 Ca 0.12 0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 53.89 1x1f s LEU 46 Cb -0.12 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1x1f s LEU 46 CO -0.25 -1.67 0.24 -0.36 0.23 0.00 0.00 176.35 174.54 1x1f s PHE 47 N 6.35 3.22 -0.17 0.29 0.08 0.19 0.14 117.98 128.08 1x1f s PHE 47 Ca 0.65 0.10 -0.11 0.00 0.12 0.00 0.00 56.93 57.69 1x1f s PHE 47 Cb -0.15 -2.45 -0.05 0.00 -0.57 0.00 0.00 43.02 39.80 1x1f s PHE 47 CO 0.30 -0.23 0.19 -0.06 -0.10 0.00 0.00 175.22 175.33 1x1f s PHE 48 N 1.82 3.47 0.16 0.36 0.08 0.33 0.18 117.98 124.39 1x1f s PHE 48 Ca 0.08 0.47 0.06 0.00 0.12 0.00 0.00 56.93 57.66 1x1f s PHE 48 Cb -0.16 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 1x1f s PHE 48 CO 0.11 0.37 -0.12 0.71 -0.10 0.00 0.00 175.22 176.19 1x1f s TYR 49 N 0.08 1.42 0.21 0.36 2.02 -0.13 -0.82 117.35 120.49 1x1f s TYR 49 Ca 0.12 -0.68 -0.01 0.00 -0.37 0.00 0.00 57.07 56.14 1x1f s TYR 49 Cb -0.12 -0.70 0.17 0.00 -0.40 0.00 0.00 41.96 40.91 1x1f s TYR 49 CO 0.01 0.18 1.54 1.79 -1.57 0.00 0.00 175.55 177.50 1x1f h THR 50 N 2.77 1.33 0.00 -0.71 1.35 -1.93 0.10 112.91 115.83 1x1f h THR 50 Ca -0.37 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.70 1x1f h THR 50 Cb 1.20 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 1x1f h THR 50 CO 0.62 0.55 0.00 0.47 -0.25 0.00 0.00 175.52 176.91 1x1f n ASP 51 N -3.95 0.00 0.09 5.36 9.92 -1.26 -4.66 116.55 122.04 1x1f n ASP 51 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1x1f n ASP 51 Cb 0.59 0.30 0.00 0.00 -0.64 0.00 0.00 41.12 41.37 1x1f n ASP 51 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1x1f n LYS 52 N -2.21 0.00 -0.32 -1.24 4.81 -1.26 -4.77 118.16 113.16 1x1f n LYS 52 Ca 0.00 0.00 0.30 0.00 -0.87 0.00 0.00 58.31 57.74 1x1f n LYS 52 Cb 0.00 0.00 0.56 0.00 0.02 0.00 0.00 35.03 35.61 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 -6.02 1.64 6.56 -2.01 -3.40 116.57 113.38 1x1f h LYS 53 Ca 0.00 -0.00 -0.86 0.00 -1.06 0.00 0.00 60.65 58.73 1x1f h LYS 53 Cb 0.00 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 31.67 1x1f h LYS 53 CO 0.00 0.02 0.67 0.45 -2.06 0.00 0.00 179.45 178.54 1x1f n SER 54 N -5.25 1.26 -0.07 0.86 2.88 -1.26 -4.85 113.62 107.19 1x1f n SER 54 Ca 0.36 1.18 -0.08 0.00 -1.33 0.00 0.00 58.87 58.99 1x1f n SER 54 Cb 1.22 -0.91 -0.07 0.00 -0.75 0.00 0.00 64.21 63.70 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 4.89 0.82 -2.37 2.46 5.03 -2.03 -3.41 117.51 122.90 1x1f h ILE 55 Ca -0.45 -1.67 -0.66 0.00 -0.12 0.00 0.00 64.86 61.97 1x1f h ILE 55 Cb 1.37 1.60 -0.16 0.00 -3.03 0.00 0.00 36.82 36.61 1x1f h ILE 55 CO 0.96 0.28 0.79 -0.63 -0.68 0.00 0.00 178.15 178.86 1x1f s ILE 56 N -1.97 4.48 0.12 -0.67 -1.09 -1.26 -4.98 121.20 115.83 1x1f s ILE 56 Ca -0.12 -1.01 -0.29 0.00 -2.23 0.00 0.00 60.65 57.01 1x1f s ILE 56 Cb -0.00 -4.77 -0.16 0.00 -1.58 0.00 0.00 42.46 35.94 1x1f s ILE 56 CO 0.36 -1.53 0.63 0.00 -1.23 0.00 0.00 174.94 173.17 1x1f n TYR 57 N 7.25 -0.10 -0.15 3.97 0.18 -1.26 -4.75 117.16 122.30 1x1f n TYR 57 Ca 0.14 0.90 0.20 0.00 1.88 0.00 0.00 57.90 61.01 1x1f n TYR 57 Cb 0.48 -1.79 0.58 0.00 -0.38 0.00 0.00 39.34 38.23 1x1f n TYR 57 CO 0.00 0.00 0.00 -0.24 -2.08 0.00 0.00 176.86 174.54 1x1f h VAL 58 N 1.49 0.71 -1.35 -3.48 3.04 -1.32 -3.44 116.25 111.91 1x1f h VAL 58 Ca -0.32 -0.09 0.25 0.00 -1.01 0.00 0.00 66.70 65.54 1x1f h VAL 58 Cb 1.29 0.44 -0.21 0.00 -2.01 0.00 0.00 31.29 30.80 1x1f h VAL 58 CO 0.53 0.05 0.84 -1.81 -1.01 0.00 0.00 177.57 176.17 1x1f s ASP 59 N -5.88 -0.12 0.09 3.17 1.01 -1.03 -5.04 116.67 108.87 1x1f s ASP 59 Ca -0.07 0.03 0.02 0.00 0.71 0.00 0.00 52.55 53.24 1x1f s ASP 59 Cb 0.21 0.12 -0.04 0.00 1.01 0.00 0.00 42.92 44.22 1x1f s ASP 59 CO 0.76 -0.17 -0.06 -1.59 0.21 0.00 0.00 175.17 174.32 1x1f s LYS 60 N -2.03 0.80 0.31 8.23 -2.85 -1.26 0.12 119.74 123.05 1x1f s LYS 60 Ca 0.09 -1.28 0.04 0.00 -1.00 0.00 0.00 55.97 53.82 1x1f s LYS 60 Cb -0.01 -0.19 -0.06 0.00 -2.06 0.00 0.00 37.83 35.51 1x1f s LYS 60 CO -0.04 -0.02 0.03 -0.51 0.10 0.00 0.00 175.35 174.91 1x1f s LEU 61 N -2.91 2.24 -0.08 2.77 1.43 0.36 -4.95 118.68 117.54 1x1f s LEU 61 Ca 0.10 -1.32 0.03 0.00 -1.03 0.00 0.00 54.13 51.90 1x1f s LEU 61 Cb 0.04 -0.42 0.01 0.00 0.03 0.00 0.00 46.19 45.85 1x1f s LEU 61 CO -0.05 -0.55 -0.17 -0.62 0.23 0.00 0.00 176.35 175.20 1x1f s ASP 62 N -3.46 2.25 -0.35 2.29 -1.08 -1.26 -1.63 116.67 113.44 1x1f s ASP 62 Ca 0.34 -0.39 0.15 0.00 -0.52 0.00 0.00 52.55 52.13 1x1f s ASP 62 Cb 0.08 -1.03 0.42 0.00 -1.46 0.00 0.00 42.92 40.92 1x1f s ASP 62 CO 0.14 0.08 0.94 2.30 0.52 0.00 0.00 175.17 179.15 1x1f n ILE 63 N 3.69 0.52 -0.09 4.11 -6.64 -1.26 -4.86 119.36 114.84 1x1f n ILE 63 Ca -0.21 -3.25 -0.10 0.00 -1.77 0.00 0.00 62.75 57.42 1x1f n ILE 63 Cb 0.52 0.48 -0.12 0.00 -1.44 0.00 0.00 39.64 39.08 1x1f n ILE 63 CO 0.00 0.00 0.00 0.55 -1.77 0.00 0.00 176.55 175.33 1x1f n VAL 64 N 0.00 1.13 -0.38 7.28 3.14 -1.26 -4.30 118.33 123.94 1x1f n VAL 64 Ca 0.12 -0.64 0.08 0.00 -2.96 0.00 0.00 64.34 60.95 1x1f n VAL 64 Cb 0.77 -0.72 0.32 0.00 -1.06 0.00 0.00 33.84 33.15 1x1f n VAL 64 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1x1f n ASP 65 N -2.72 4.37 -4.46 6.55 2.03 -1.26 -4.73 116.55 116.32 1x1f n ASP 65 Ca -0.29 -2.44 -0.53 0.00 0.52 0.00 0.00 54.79 52.05 1x1f n ASP 65 Cb 1.00 -0.56 -0.06 0.00 -0.72 0.00 0.00 41.12 40.79 1x1f n ASP 65 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1x1f n LEU 66 N 0.94 -0.43 0.03 -2.67 7.94 -1.26 -4.27 117.00 117.28 1x1f n LEU 66 Ca 0.23 1.15 -0.13 0.00 -1.11 0.00 0.00 56.01 56.15 1x1f n LEU 66 Cb 0.83 -0.96 -0.14 0.00 0.53 0.00 0.00 43.42 43.69 1x1f n LEU 66 CO 0.22 -2.33 -0.36 0.74 -1.11 0.00 0.00 177.39 174.55 1x1f h THR 67 N 2.10 1.09 0.00 1.96 2.02 0.19 -3.48 112.91 116.79 1x1f h THR 67 Ca -0.40 -2.83 0.00 0.00 0.77 0.00 0.00 66.41 63.95 1x1f h THR 67 Cb 1.43 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 70.47 1x1f h THR 67 CO 0.62 0.74 0.00 0.00 0.37 0.00 0.00 175.52 177.25 1x1f s LEU 69 N 0.00 0.98 0.41 0.00 0.20 -1.26 -2.64 118.68 116.36 1x1f s LEU 69 Ca 0.00 -0.04 0.08 0.00 0.69 0.00 0.00 54.13 54.86 1x1f s LEU 69 Cb 0.00 -0.29 -0.00 0.00 -0.43 0.00 0.00 46.19 45.47 1x1f s LEU 69 CO 0.00 -0.13 0.48 0.42 -0.29 0.00 0.00 176.35 176.84 1x1f s THR 70 N 1.30 3.03 0.07 3.68 -4.23 -1.13 -4.96 115.64 113.40 1x1f s THR 70 Ca -0.06 -1.13 0.06 0.00 -1.18 0.00 0.00 61.69 59.38 1x1f s THR 70 Cb -0.13 -3.05 -0.03 0.00 1.34 0.00 0.00 72.50 70.63 1x1f s THR 70 CO -0.02 -0.03 -0.16 -1.61 -0.54 0.00 0.00 174.62 172.26 1x1f s GLU 71 N -4.24 0.94 -0.04 3.99 2.02 -1.26 -2.99 118.70 117.11 1x1f s GLU 71 Ca 0.51 -0.98 -0.14 0.00 0.02 0.00 0.00 54.97 54.38 1x1f s GLU 71 Cb -0.08 -1.03 -0.05 0.00 0.10 0.00 0.00 34.13 33.07 1x1f s GLU 71 CO 0.31 0.24 0.37 -0.65 0.02 0.00 0.00 175.26 175.54 1x1f s GLN 72 N -1.68 3.92 0.17 1.61 -1.52 0.01 -4.96 119.66 117.21 1x1f s GLN 72 Ca 0.01 0.31 -0.31 0.00 -1.95 0.00 0.00 55.36 53.43 1x1f s GLN 72 Cb -0.10 -3.25 -0.17 0.00 -0.22 0.00 0.00 33.01 29.27 1x1f s GLN 72 CO 0.03 0.62 0.77 0.27 -0.25 0.00 0.00 175.29 176.73 1x1f n ASN 73 N 2.16 -0.33 0.01 5.90 6.94 -1.26 -4.61 115.26 124.06 1x1f n ASN 73 Ca -0.14 1.14 0.00 0.00 -0.02 0.00 0.00 54.58 55.56 1x1f n ASN 73 Cb 0.53 -1.03 0.00 0.00 -2.36 0.00 0.00 39.78 36.92 1x1f n ASN 73 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1x1f n SER 74 N 1.81 -0.20 -1.47 0.53 7.64 -1.26 -5.09 113.62 115.57 1x1f n SER 74 Ca 0.17 0.39 0.01 0.00 1.01 0.00 0.00 58.87 60.45 1x1f n SER 74 Cb 0.23 0.54 -0.00 0.00 -1.01 0.00 0.00 64.21 63.97 1x1f n SER 74 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1x1f n THR 75 N -2.78 -2.68 -1.19 0.44 -1.04 -1.26 -5.00 114.28 100.77 1x1f n THR 75 Ca 0.00 1.35 0.13 0.00 -2.04 0.00 0.00 64.05 63.49 1x1f n THR 75 Cb 0.00 -2.25 -0.07 0.00 -1.82 0.00 0.00 70.33 66.19 1x1f n THR 75 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1x1f n GLU 76 N -2.60 -2.81 -1.52 -2.82 1.02 -1.26 -4.73 120.64 105.93 1x1f n GLU 76 Ca -0.00 2.29 -0.55 0.00 -0.02 0.00 0.00 57.16 58.87 1x1f n GLU 76 Cb 0.46 -3.21 -0.07 0.00 -0.02 0.00 0.00 31.44 28.60 1x1f n GLU 76 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1x1f n LYS 77 N -3.78 0.36 0.00 3.49 4.76 -1.26 -4.89 118.16 116.84 1x1f n LYS 77 Ca -0.07 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1x1f n LYS 77 Cb 0.55 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 1x1f n LYS 77 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1x1f n ASN 78 N 1.82 0.00 -4.23 4.39 6.94 -1.26 -5.15 115.26 117.77 1x1f n ASN 78 Ca 0.19 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.40 1x1f n ASN 78 Cb 0.14 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 37.63 1x1f n ASN 78 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1x1f s ALA 80 N -2.18 3.35 -0.18 0.00 0.00 -1.26 -5.03 121.76 116.47 1x1f s ALA 80 Ca 0.50 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1x1f s ALA 80 Cb -0.22 -2.49 0.04 0.00 0.00 0.00 0.00 23.12 20.45 1x1f s ALA 80 CO 0.74 -0.96 -0.09 0.15 0.00 0.00 0.00 175.76 175.60 1x1f s LYS 81 N 1.65 1.85 0.05 0.00 1.02 -1.26 -2.22 119.74 120.84 1x1f s LYS 81 Ca 0.05 -0.67 -0.08 0.00 0.02 0.00 0.00 55.97 55.29 1x1f s LYS 81 Cb -0.17 -2.20 -0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1x1f s LYS 81 CO 0.08 -0.39 0.16 -0.59 -0.92 0.00 0.00 175.35 173.69 1x1f s PHE 82 N 1.50 0.13 -0.08 3.18 -0.12 -1.00 -0.81 117.98 120.78 1x1f s PHE 82 Ca 0.01 -0.45 0.01 0.00 -0.05 0.00 0.00 56.93 56.44 1x1f s PHE 82 Cb -0.15 -0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.13 1x1f s PHE 82 CO -0.08 -0.45 -0.08 0.99 -0.05 0.00 0.00 175.22 175.55 1x1f s THR 83 N -3.03 3.60 -0.59 -4.49 2.01 -1.16 -1.70 115.64 110.28 1x1f s THR 83 Ca -0.01 -0.51 -0.24 0.00 0.31 0.00 0.00 61.69 61.23 1x1f s THR 83 Cb 0.01 -2.48 0.04 0.00 0.01 0.00 0.00 72.50 70.09 1x1f s THR 83 CO -0.06 0.58 1.00 -0.76 -0.69 0.00 0.00 174.62 174.68 1x1f s LEU 84 N -0.60 4.02 -0.26 4.42 2.01 0.20 -2.85 118.68 125.62 1x1f s LEU 84 Ca 0.09 -0.43 -0.28 0.00 0.01 0.00 0.00 54.13 53.53 1x1f s LEU 84 Cb -0.12 -2.77 0.01 0.00 0.01 0.00 0.00 46.19 43.32 1x1f s LEU 84 CO 0.02 -1.34 0.98 -0.69 1.01 0.00 0.00 176.35 176.33 1x1f s VAL 85 N 4.20 4.68 0.23 -1.59 1.01 -1.08 -1.37 120.40 126.48 1x1f s VAL 85 Ca 0.30 1.79 0.11 0.00 0.00 0.00 0.00 61.98 64.18 1x1f s VAL 85 Cb -0.12 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1x1f s VAL 85 CO 0.18 -0.23 -0.20 -0.76 0.00 0.00 0.00 175.10 174.08 1x1f s LEU 86 N 3.21 2.52 0.00 3.92 1.43 -1.17 0.20 118.68 128.79 1x1f s LEU 86 Ca 0.41 -0.96 0.19 0.00 -1.03 0.00 0.00 54.13 52.74 1x1f s LEU 86 Cb -0.14 -1.02 1.13 0.00 0.03 0.00 0.00 46.19 46.19 1x1f s LEU 86 CO 0.09 0.02 1.58 -0.81 0.23 0.00 0.00 176.35 177.46 1x1f n PRO 87 N -0.22 0.75 -0.00 1.29 -0.04 -1.26 -3.61 135.00 131.91 1x1f n PRO 87 Ca -0.09 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.34 1x1f n PRO 87 Cb 0.59 -1.40 -0.01 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.90 0.15 -3.63 0.54 5.02 -1.26 -5.11 118.16 112.98 1x1f n LYS 88 Ca 0.14 0.06 -0.12 0.00 -2.02 0.00 0.00 58.31 56.37 1x1f n LYS 88 Cb 0.07 -0.76 -0.05 0.00 -0.02 0.00 0.00 35.03 34.26 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 -2.22 1.00 -0.12 1.97 2.12 -1.24 -5.15 118.70 115.06 1x1f s GLU 89 Ca -0.09 -0.44 -0.15 0.00 0.36 0.00 0.00 54.97 54.66 1x1f s GLU 89 Cb 0.02 0.45 -0.05 0.00 0.26 0.00 0.00 34.13 34.81 1x1f s GLU 89 CO 0.12 -0.37 0.35 -1.21 -0.54 0.00 0.00 175.26 173.61 1x1f s GLU 90 N -2.90 4.18 0.11 4.30 2.02 -1.26 -3.03 118.70 122.12 1x1f s GLU 90 Ca -0.03 0.21 0.08 0.00 0.02 0.00 0.00 54.97 55.26 1x1f s GLU 90 Cb 0.00 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 1x1f s GLU 90 CO -0.05 0.32 -0.15 0.08 0.02 0.00 0.00 175.26 175.47 1x1f s VAL 91 N 0.19 3.03 -0.12 2.63 1.01 -0.47 -4.82 120.40 121.84 1x1f s VAL 91 Ca 0.20 -1.42 -0.06 0.00 0.00 0.00 0.00 61.98 60.69 1x1f s VAL 91 Cb -0.14 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1x1f s VAL 91 CO 0.07 0.10 0.11 -1.10 0.00 0.00 0.00 175.10 174.28 1x1f s GLN 92 N -2.17 3.44 -0.02 2.72 -0.21 -1.26 0.59 119.66 122.75 1x1f s GLN 92 Ca 0.19 -0.20 0.01 0.00 0.02 0.00 0.00 55.36 55.39 1x1f s GLN 92 Cb -0.11 -3.14 0.01 0.00 1.00 0.00 0.00 33.01 30.78 1x1f s GLN 92 CO 0.11 0.71 -0.05 -0.51 -2.12 0.00 0.00 175.29 173.44 1x1f s LEU 93 N -0.84 1.61 0.02 2.90 1.02 -0.69 -2.80 118.68 119.92 1x1f s LEU 93 Ca 0.14 -0.10 0.02 0.00 0.02 0.00 0.00 54.13 54.20 1x1f s LEU 93 Cb -0.12 -0.35 -0.02 0.00 0.02 0.00 0.00 46.19 45.72 1x1f s LEU 93 CO 0.03 -0.00 -0.07 -0.75 0.02 0.00 0.00 176.35 175.58 1x1f s LYS 94 N 0.45 0.51 0.06 1.70 2.36 -1.01 -2.39 119.74 121.43 1x1f s LYS 94 Ca -0.05 -0.54 0.08 0.00 -2.55 0.00 0.00 55.97 52.91 1x1f s LYS 94 Cb -0.09 -0.38 -0.03 0.00 -1.05 0.00 0.00 37.83 36.28 1x1f s LYS 94 CO -0.00 0.08 -0.23 0.95 1.55 0.00 0.00 175.35 177.70 1x1f s THR 95 N -0.87 1.88 -0.70 3.43 -4.23 -0.94 -2.92 115.64 111.28 1x1f s THR 95 Ca -0.05 -1.37 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1x1f s THR 95 Cb -0.07 -1.64 0.41 0.00 1.34 0.00 0.00 72.50 72.54 1x1f s THR 95 CO 0.00 0.20 1.92 -0.62 -0.54 0.00 0.00 174.62 175.58 1x1f n GLU 96 N 1.61 2.83 0.00 3.99 -0.58 -1.26 -4.25 120.64 122.98 1x1f n GLU 96 Ca -0.17 -3.53 0.00 0.00 -0.42 0.00 0.00 57.16 53.04 1x1f n GLU 96 Cb 0.53 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.12 1x1f n GLU 96 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1x1f n ASN 97 N -0.72 0.00 -0.04 1.62 2.85 -1.26 -5.03 115.26 112.69 1x1f n ASN 97 Ca 0.56 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.83 1x1f n ASN 97 Cb 0.50 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.39 1x1f n ASN 97 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1x1f h THR 98 N 0.18 1.18 0.51 -0.44 1.35 -1.92 -3.20 112.91 110.57 1x1f h THR 98 Ca 0.00 -2.33 -0.02 0.00 -0.55 0.00 0.00 66.41 63.51 1x1f h THR 98 Cb 0.00 2.74 -0.01 0.00 -1.73 0.00 0.00 68.15 69.15 1x1f h THR 98 CO 0.00 0.57 -0.36 -0.33 -0.25 0.00 0.00 175.52 175.15 1x1f h GLU 99 N -0.66 -0.81 -0.93 4.72 4.39 -1.98 -1.55 114.58 117.76 1x1f h GLU 99 Ca -0.25 0.06 0.22 0.00 0.34 0.00 0.00 59.36 59.73 1x1f h GLU 99 Cb 1.46 0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 30.23 1x1f h GLU 99 CO -0.03 -0.54 0.62 0.77 -1.16 0.00 0.00 179.01 178.67 1x1f h SER 100 N -0.85 0.35 0.72 1.42 0.02 -1.96 -0.24 113.55 113.02 1x1f h SER 100 Ca -0.06 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1x1f h SER 100 Cb 0.71 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.24 1x1f h SER 100 CO 0.02 0.13 -0.35 1.23 -1.14 0.00 0.00 176.83 176.72 1x1f h GLY 101 N 0.34 -1.01 0.60 -3.77 0.00 -1.31 -1.45 103.07 96.48 1x1f h GLY 101 Ca 0.49 0.37 0.16 0.00 0.00 0.00 0.00 47.33 48.35 1x1f h GLY 101 CO -0.17 -0.37 0.53 0.83 0.00 0.00 0.00 176.54 177.36 1x1f h GLU 102 N -0.98 0.42 0.14 4.80 3.07 -0.57 0.27 114.58 121.73 1x1f h GLU 102 Ca -0.10 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 1x1f h GLU 102 Cb 0.74 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1x1f h GLU 102 CO 0.16 0.28 -0.08 0.93 -1.40 0.00 0.00 179.01 178.90 1x1f h GLU 103 N 0.43 -0.20 0.43 2.33 5.08 -0.79 0.15 114.58 122.02 1x1f h GLU 103 Ca 0.39 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 1x1f h GLU 103 Cb 0.90 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1x1f h GLU 103 CO -0.13 -0.13 -0.34 -1.49 -1.00 0.00 0.00 179.01 175.91 1x1f h TRP 104 N -0.20 -0.94 -1.47 4.33 4.06 -0.92 0.78 115.95 121.60 1x1f h TRP 104 Ca -0.02 -0.00 0.47 0.00 2.06 0.00 0.00 58.89 61.40 1x1f h TRP 104 Cb 0.16 0.35 -0.11 0.00 -1.00 0.00 0.00 29.16 28.57 1x1f h TRP 104 CO 0.08 -0.48 0.99 -2.13 -3.56 0.00 0.00 178.44 173.34 1x1f n ARG 105 N -4.49 -0.02 -0.00 0.49 0.63 0.92 0.21 116.66 114.39 1x1f n ARG 105 Ca -0.09 1.09 -0.00 0.00 -0.92 0.00 0.00 57.85 57.93 1x1f n ARG 105 Cb 0.33 -2.27 -0.00 0.00 0.45 0.00 0.00 32.46 30.97 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 0.00 -0.92 5.14 0.00 0.75 -2.96 103.07 105.08 1x1f h GLY 106 Ca 0.83 0.00 0.38 0.00 0.00 0.00 0.00 47.33 48.54 1x1f h GLY 106 CO -0.27 0.00 0.48 0.69 0.00 0.00 0.00 176.54 177.44 1x1f n PHE 107 N -2.23 1.06 0.26 5.60 3.72 0.26 0.00 117.46 126.13 1x1f n PHE 107 Ca -0.00 1.09 -0.10 0.00 -0.05 0.00 0.00 57.45 58.38 1x1f n PHE 107 Cb 0.00 -1.49 -0.05 0.00 -0.94 0.00 0.00 39.48 37.01 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 0.00 -1.01 4.37 5.03 -0.40 -0.56 117.51 124.93 1x1f h ILE 108 Ca 0.78 -0.23 0.29 0.00 -0.12 0.00 0.00 64.86 65.58 1x1f h ILE 108 Cb 2.05 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 35.80 1x1f h ILE 108 CO -0.72 0.00 1.05 -0.07 -0.68 0.00 0.00 178.15 177.73 1x1f h LEU 109 N -0.91 0.00 0.17 1.44 3.38 -0.24 1.78 115.31 120.93 1x1f h LEU 109 Ca -0.07 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.68 1x1f h LEU 109 Cb 0.52 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.30 1x1f h LEU 109 CO 0.11 0.00 -0.97 0.74 0.09 0.00 0.00 178.44 178.41 1x1f h THR 110 N 0.00 1.46 -0.44 0.22 2.02 -0.58 0.14 112.91 115.74 1x1f h THR 110 Ca 0.48 -2.57 -0.23 0.00 0.77 0.00 0.00 66.41 64.87 1x1f h THR 110 Cb 2.57 3.15 -0.14 0.00 -1.74 0.00 0.00 68.15 72.00 1x1f h THR 110 CO -0.01 0.74 0.29 1.33 0.37 0.00 0.00 175.52 178.24 1x1f n VAL 111 N -4.03 1.97 0.00 3.16 0.24 0.59 -2.01 118.33 118.24 1x1f n VAL 111 Ca -0.14 -0.84 0.00 0.00 -2.04 0.00 0.00 64.34 61.31 1x1f n VAL 111 Cb 0.89 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 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 -0.22 0.00 -0.47 3.34 -2.24 -0.14 -4.43 114.28 110.11 1x1f n THR 112 Ca 0.26 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.14 1x1f n THR 112 Cb 1.02 -0.16 0.30 0.00 -2.10 0.00 0.00 70.33 69.39 1x1f n THR 112 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1f n GLU 113 N -1.92 3.17 -3.04 -0.78 1.02 0.50 -4.87 120.64 114.72 1x1f n GLU 113 Ca 0.00 -2.66 -0.16 0.00 -0.02 0.00 0.00 57.16 54.32 1x1f n GLU 113 Cb 0.00 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 29.73 1x1f n GLU 113 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1x1f n LEU 114 N 1.12 -0.30 -4.21 -4.62 7.94 -0.85 -4.81 117.00 111.27 1x1f n LEU 114 Ca 0.23 -0.21 -0.15 0.00 -1.11 0.00 0.00 56.01 54.77 1x1f n LEU 114 Cb 0.71 -1.09 -0.09 0.00 0.53 0.00 0.00 43.42 43.49 1x1f n LEU 114 CO 0.18 0.04 -0.14 -0.44 -1.11 0.00 0.00 177.39 175.92 1x1f s SER 115 N -2.25 0.74 -0.20 1.96 0.01 -1.24 -5.01 113.70 107.71 1x1f s SER 115 Ca 0.31 -1.50 -0.01 0.00 1.31 0.00 0.00 55.95 56.05 1x1f s SER 115 Cb -0.18 0.48 0.01 0.00 0.21 0.00 0.00 66.02 66.54 1x1f s SER 115 CO 0.38 -0.97 -0.12 -0.69 0.41 0.00 0.00 173.24 172.25 1x1f s VAL 116 N -3.81 2.71 0.27 3.43 1.01 -1.26 -3.87 120.40 118.88 1x1f s VAL 116 Ca 0.38 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1x1f s VAL 116 Cb 0.04 -2.21 -0.09 0.00 0.00 0.00 0.00 36.38 34.12 1x1f s VAL 116 CO 0.18 0.46 1.08 -2.16 0.00 0.00 0.00 175.10 174.66 1x1f s PRO 117 N 1.38 4.66 0.00 2.72 0.04 -1.26 -4.94 135.00 137.60 1x1f s PRO 117 Ca 0.05 1.76 0.15 0.00 0.04 0.00 0.00 61.00 63.00 1x1f s PRO 117 Cb -0.14 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1x1f s PRO 117 CO -0.08 0.24 0.77 0.00 0.04 0.00 0.00 177.00 177.97 1x1f n GLN 118 N 1.30 1.88 -0.74 4.56 -0.00 -1.26 -4.36 117.38 118.76 1x1f n GLN 118 Ca -0.01 -0.60 -0.13 0.00 -0.00 0.00 0.00 57.00 56.26 1x1f n GLN 118 Cb 0.45 -1.22 0.12 0.00 -0.00 0.00 0.00 30.24 29.59 1x1f n GLN 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1x1f n ASN 119 N -0.41 3.49 -4.67 2.61 4.13 -1.26 -4.87 115.26 114.28 1x1f n ASN 119 Ca 0.05 -2.96 -0.35 0.00 1.68 0.00 0.00 54.58 53.01 1x1f n ASN 119 Cb 0.29 -0.70 -0.10 0.00 -1.54 0.00 0.00 39.78 37.74 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 -2.02 4.29 -2.04 2.41 -7.23 -1.26 -4.98 120.40 109.56 1x1f s VAL 120 Ca 0.35 -0.25 0.12 0.00 -1.81 0.00 0.00 61.98 60.39 1x1f s VAL 120 Cb 0.29 -2.81 0.33 0.00 0.56 0.00 0.00 36.38 34.75 1x1f s VAL 120 CO 0.07 0.60 1.41 -1.20 -0.31 0.00 0.00 175.10 175.67 1x1f n SER 121 N 2.25 0.48 -3.38 4.85 7.64 -1.26 -4.88 113.62 119.32 1x1f n SER 121 Ca -0.18 -1.71 -0.12 0.00 1.01 0.00 0.00 58.87 57.86 1x1f n SER 121 Cb 0.53 -0.04 0.12 0.00 -1.01 0.00 0.00 64.21 63.81 1x1f n SER 121 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1x1f n LEU 122 N -0.37 0.00 0.00 -3.43 4.77 -1.26 -5.03 117.00 111.68 1x1f n LEU 122 Ca 0.10 -0.36 -0.11 0.00 -0.03 0.00 0.00 56.01 55.61 1x1f n LEU 122 Cb 0.11 -0.60 -0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1x1f n LEU 122 CO 0.07 -2.20 0.02 0.18 -1.33 0.00 0.00 177.39 174.14 1x1f n LEU 123 N 0.00 0.00 0.23 2.23 4.77 -1.26 -4.89 117.00 118.08 1x1f n LEU 123 Ca 0.06 -1.23 0.14 0.00 -0.03 0.00 0.00 56.01 54.95 1x1f n LEU 123 Cb 0.25 -0.01 0.44 0.00 -2.33 0.00 0.00 43.42 41.76 1x1f n LEU 123 CO 0.16 -0.39 0.90 1.55 -1.33 0.00 0.00 177.39 178.29 1x1f h PRO 124 N 0.00 0.00 0.07 3.23 0.13 -1.99 -0.36 132.00 133.08 1x1f h PRO 124 Ca -0.15 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.68 1x1f h PRO 124 Cb 0.54 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 1x1f h PRO 124 CO 0.24 0.00 -1.58 0.78 -0.23 0.00 0.00 178.00 177.21 1x1f h GLY 125 N 3.06 0.17 0.00 1.56 0.00 -2.01 -3.32 103.07 102.54 1x1f h GLY 125 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1x1f h GLY 125 CO 0.00 0.39 -0.07 1.46 0.00 0.00 0.00 176.54 178.32 1x1f h GLN 126 N 0.04 0.00 -0.71 4.80 1.08 -1.93 -3.34 115.11 115.05 1x1f h GLN 126 Ca -0.25 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.05 1x1f h GLN 126 Cb 1.99 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 29.31 1x1f h GLN 126 CO 0.13 0.00 -0.30 0.28 -0.95 0.00 0.00 178.83 177.98 1x1f n VAL 127 N -4.29 -0.40 -0.37 -0.54 0.31 -0.15 0.21 118.33 113.10 1x1f n VAL 127 Ca -0.01 1.67 -0.01 0.00 -0.01 0.00 0.00 64.34 65.98 1x1f n VAL 127 Cb 0.04 -2.18 0.04 0.00 -0.91 0.00 0.00 33.84 30.82 1x1f n VAL 127 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1x1f h ILE 128 N 0.00 0.01 -0.93 2.52 2.04 -1.72 0.51 117.51 119.95 1x1f h ILE 128 Ca 0.22 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.21 1x1f h ILE 128 Cb 0.40 0.01 -0.14 0.00 -0.74 0.00 0.00 36.82 36.35 1x1f h ILE 128 CO -0.70 0.00 -0.42 0.29 0.00 0.00 0.00 178.15 177.32 1x1f n LYS 129 N -5.47 -0.28 -0.25 2.37 4.76 0.56 0.20 118.16 120.06 1x1f n LYS 129 Ca 0.10 1.42 0.05 0.00 -2.87 0.00 0.00 58.31 57.00 1x1f n LYS 129 Cb 0.40 -2.10 0.15 0.00 -1.84 0.00 0.00 35.03 31.64 1x1f n LYS 129 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1x1f h LEU 130 N 0.00 -0.26 0.63 -0.35 3.38 0.09 1.79 115.31 120.59 1x1f h LEU 130 Ca 0.27 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.39 1x1f h LEU 130 Cb 0.50 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1x1f h LEU 130 CO -0.91 -0.14 -0.37 0.45 0.09 0.00 0.00 178.44 177.56 1x1f h HIS 131 N 0.13 -0.97 0.76 1.13 3.86 0.26 0.16 115.15 120.49 1x1f h HIS 131 Ca 0.40 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.56 1x1f h HIS 131 Cb 0.69 0.34 -0.01 0.00 1.06 0.00 0.00 27.41 29.50 1x1f h HIS 131 CO -0.38 -0.57 -0.49 0.93 0.86 0.00 0.00 177.93 178.28 1x1f h GLU 132 N -0.94 -1.14 -0.87 2.45 5.08 0.99 -1.81 114.58 118.33 1x1f h GLU 132 Ca -0.08 0.08 0.22 0.00 -1.00 0.00 0.00 59.36 58.57 1x1f h GLU 132 Cb 0.75 0.26 -0.16 0.00 0.50 0.00 0.00 28.75 30.10 1x1f h GLU 132 CO 0.10 -0.76 0.01 0.28 -1.00 0.00 0.00 179.01 177.63 1x1f h VAL 133 N -1.19 0.19 0.00 3.13 2.07 0.27 0.63 116.25 121.35 1x1f h VAL 133 Ca -0.10 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1x1f h VAL 133 Cb 0.96 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1x1f h VAL 133 CO 0.09 0.01 0.00 -0.11 0.02 0.00 0.00 177.57 177.58 1x1f n LEU 134 N -5.41 0.00 -0.37 2.57 7.94 0.54 0.06 117.00 122.33 1x1f n LEU 134 Ca 0.18 0.89 0.31 0.00 -1.11 0.00 0.00 56.01 56.27 1x1f n LEU 134 Cb 0.60 -0.39 0.62 0.00 0.53 0.00 0.00 43.42 44.78 1x1f n LEU 134 CO -0.01 -0.39 1.26 1.05 -1.11 0.00 0.00 177.39 178.20 1x1f h GLU 135 N 0.00 0.19 0.35 1.96 4.11 -0.43 0.63 114.58 121.39 1x1f h GLU 135 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 1x1f h GLU 135 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1x1f h GLU 135 CO 0.00 0.13 -0.17 0.00 0.07 0.00 0.00 179.01 179.04 1x1f h ARG 136 N 0.20 -0.46 -0.00 1.06 2.47 0.13 -2.67 114.38 115.11 1x1f h ARG 136 Ca 0.65 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.41 1x1f h ARG 136 Cb 2.06 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 30.48 1x1f h ARG 136 CO -0.24 -0.31 0.00 1.05 0.56 0.00 0.00 179.97 181.04 1x1f h GLU 137 N -0.49 0.00 0.15 0.04 4.11 0.87 -2.77 114.58 116.49 1x1f h GLU 137 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1x1f h GLU 137 Cb 0.36 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1x1f h GLU 137 CO 0.08 0.00 -0.36 0.87 0.07 0.00 0.00 179.01 179.67 1x1f h LYS 138 N 0.00 -0.54 -0.74 1.06 1.57 0.45 -1.87 116.57 116.49 1x1f h LYS 138 Ca 0.00 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.96 1x1f h LYS 138 Cb 0.01 0.12 -0.14 0.00 0.08 0.00 0.00 32.23 32.30 1x1f h LYS 138 CO -0.00 -0.36 -0.21 0.87 -0.57 0.00 0.00 179.45 179.17 1x1f h LYS 139 N -0.57 -0.02 -1.70 3.15 1.79 -1.18 1.29 116.57 119.33 1x1f h LYS 139 Ca -0.02 0.00 0.49 0.00 -2.18 0.00 0.00 60.65 58.95 1x1f h LYS 139 Cb 0.54 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.13 1x1f h LYS 139 CO -0.16 -0.01 1.22 0.00 -1.08 0.00 0.00 179.45 179.42 1x1f h ARG 140 N -0.02 0.00 -0.58 3.15 3.08 -1.34 1.69 114.38 120.35 1x1f h ARG 140 Ca 0.34 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.34 1x1f h ARG 140 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1x1f h ARG 140 CO -0.77 0.00 0.16 0.00 -1.07 0.00 0.00 179.97 178.30 1x1f h ARG 141 N 0.00 0.92 0.00 0.04 2.47 0.20 -3.13 114.38 114.87 1x1f h ARG 141 Ca 0.81 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 59.32 1x1f h ARG 141 Cb 3.25 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 31.44 1x1f h ARG 141 CO -0.01 0.84 0.00 -0.89 0.56 0.00 0.00 179.97 180.47 1x1f n ILE 142 N -4.40 0.00 -2.65 2.04 5.41 0.57 -2.14 119.36 118.19 1x1f n ILE 142 Ca 0.03 1.16 -0.42 0.00 1.00 0.00 0.00 62.75 64.52 1x1f n ILE 142 Cb 0.22 -1.65 0.01 0.00 -0.71 0.00 0.00 39.64 37.50 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 -1.72 4.24 -3.65 0.38 1.02 -1.24 -4.87 120.64 114.80 1x1f n GLU 143 Ca 0.00 -4.10 -0.01 0.00 -0.02 0.00 0.00 57.16 53.03 1x1f n GLU 143 Cb 0.00 -2.67 -0.07 0.00 -0.02 0.00 0.00 31.44 28.68 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 -0.63 -0.02 0.00 1.62 0.15 -0.91 -4.99 113.70 108.93 1x1f s SER 144 Ca 0.36 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1x1f s SER 144 Cb 0.09 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1x1f s SER 144 CO 0.04 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1x1f n GLY 145 N 1.78 3.05 1.48 9.45 0.00 -1.26 -4.66 105.19 115.03 1x1f n GLY 145 Ca -0.11 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 1x1f n GLY 145 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x1f n PRO 146 N -0.36 -1.19 -2.44 1.61 -0.04 -1.26 -5.00 135.00 126.32 1x1f n PRO 146 Ca 0.00 -0.77 -0.39 0.00 -0.04 0.00 0.00 63.50 62.31 1x1f n PRO 146 Cb 0.00 -0.60 -0.04 0.00 -0.04 0.00 0.00 33.50 32.82 1x1f n PRO 146 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x1f s SER 147 N -2.83 6.93 1.22 3.54 1.04 -1.26 -5.01 113.70 117.33 1x1f s SER 147 Ca 0.29 2.24 -0.14 0.00 0.48 0.00 0.00 55.95 58.83 1x1f s SER 147 Cb -0.02 -2.61 0.30 0.00 0.10 0.00 0.00 66.02 63.79 1x1f s SER 147 CO 0.22 -0.38 0.95 -1.20 0.98 0.00 0.00 173.24 173.81 1x1f n SER 148 N 0.56 -2.08 0.00 7.02 7.64 -1.26 -5.31 113.62 120.19 1x1f n SER 148 Ca 0.02 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1x1f n SER 148 Cb 0.46 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1x1f n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64