#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g0x n LEU 3 N 0.00 -0.05 -4.65 2.41 4.77 -1.26 -4.17 117.00 114.05 1g0x n LEU 3 Ca 0.00 0.21 -0.47 0.00 -0.03 0.00 0.00 56.01 55.72 1g0x n LEU 3 Cb 0.00 0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1g0x n LEU 3 CO 0.00 -0.63 1.09 -2.65 -1.33 0.00 0.00 177.39 173.88 1g0x n PRO 4 N -2.93 1.92 -1.93 3.23 -0.02 -1.26 -3.45 135.00 130.56 1g0x n PRO 4 Ca 0.00 0.69 -0.40 0.00 -2.02 0.00 0.00 63.50 61.77 1g0x n PRO 4 Cb 0.00 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.07 1g0x n PRO 4 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1g0x s LYS 5 N 0.55 3.93 0.88 -0.52 -2.85 -1.26 -4.71 119.74 115.75 1g0x s LYS 5 Ca 0.78 2.31 -0.13 0.00 -1.00 0.00 0.00 55.97 57.93 1g0x s LYS 5 Cb -0.73 -2.78 0.16 0.00 -2.06 0.00 0.00 37.83 32.42 1g0x s LYS 5 CO 0.42 -0.58 1.23 -1.25 0.10 0.00 0.00 175.35 175.27 1g0x s PRO 6 N -2.25 1.16 -0.17 1.78 0.04 -1.26 -4.94 135.00 129.35 1g0x s PRO 6 Ca 0.57 -0.37 -0.08 0.00 0.04 0.00 0.00 61.00 61.16 1g0x s PRO 6 Cb -0.41 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1g0x s PRO 6 CO 0.54 -2.04 0.09 0.99 0.04 0.00 0.00 177.00 176.62 1g0x s THR 7 N -3.69 5.03 -0.12 1.26 2.01 0.13 -4.45 115.64 115.82 1g0x s THR 7 Ca 0.69 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.77 1g0x s THR 7 Cb -0.06 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1g0x s THR 7 CO 0.50 0.49 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.48 1g0x s LEU 8 N 0.10 2.16 0.29 4.42 2.96 -1.26 -0.76 118.68 126.59 1g0x s LEU 8 Ca 0.07 -0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 53.36 1g0x s LEU 8 Cb -0.12 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 1g0x s LEU 8 CO 0.00 0.12 0.43 -1.66 -1.32 0.00 0.00 176.35 173.92 1g0x s TRP 9 N 0.57 0.84 0.01 5.38 -2.14 0.20 -4.91 118.94 118.88 1g0x s TRP 9 Ca -0.13 -1.11 0.05 0.00 2.66 0.00 0.00 56.10 57.57 1g0x s TRP 9 Cb -0.17 -0.05 -0.02 0.00 -3.10 0.00 0.00 33.47 30.14 1g0x s TRP 9 CO 0.04 -1.03 -0.14 0.00 -2.66 0.00 0.00 176.95 173.16 1g0x s ALA 10 N -3.52 1.20 -0.07 2.67 0.00 -1.26 0.00 121.76 120.78 1g0x s ALA 10 Ca 0.29 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.57 1g0x s ALA 10 Cb 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1g0x s ALA 10 CO 0.15 0.27 -0.17 -1.21 0.00 0.00 0.00 175.76 174.80 1g0x s GLU 11 N -0.66 2.20 0.45 0.00 2.02 -0.41 -3.09 118.70 119.22 1g0x s GLU 11 Ca 0.04 -0.62 0.25 0.00 0.02 0.00 0.00 54.97 54.67 1g0x s GLU 11 Cb -0.06 -1.76 0.88 0.00 0.10 0.00 0.00 34.13 33.29 1g0x s GLU 11 CO 0.00 0.12 1.80 -1.00 0.02 0.00 0.00 175.26 176.21 1g0x h PRO 12 N 6.75 0.00 0.00 0.39 0.13 -1.87 0.12 132.00 137.52 1g0x h PRO 12 Ca -0.27 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.97 1g0x h PRO 12 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1g0x h PRO 12 CO 0.47 0.17 0.38 0.41 -0.23 0.00 0.00 178.00 179.21 1g0x n GLY 13 N 0.32 0.84 0.77 1.56 0.00 -1.18 -4.98 105.19 102.53 1g0x n GLY 13 Ca 0.01 -1.06 0.12 0.00 0.00 0.00 0.00 46.02 45.09 1g0x n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1g0x n SER 14 N -1.01 2.49 -4.09 1.61 3.41 -1.26 -4.72 113.62 110.05 1g0x n SER 14 Ca -0.01 -1.78 -0.34 0.00 -0.26 0.00 0.00 58.87 56.48 1g0x n SER 14 Cb 0.36 0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 64.25 1g0x n SER 14 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1g0x s VAL 15 N -2.09 2.74 -0.06 -3.33 1.01 -1.26 -0.09 120.40 117.31 1g0x s VAL 15 Ca 0.28 -1.99 0.05 0.00 0.00 0.00 0.00 61.98 60.33 1g0x s VAL 15 Cb 0.20 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1g0x s VAL 15 CO 0.36 -0.47 -0.23 -0.63 0.00 0.00 0.00 175.10 174.13 1g0x s ILE 16 N 1.07 2.28 0.24 2.22 -1.09 0.11 -4.99 121.20 121.05 1g0x s ILE 16 Ca 0.05 -0.99 -0.30 0.00 -2.23 0.00 0.00 60.65 57.19 1g0x s ILE 16 Cb -0.21 -1.85 -0.09 0.00 -1.58 0.00 0.00 42.46 38.74 1g0x s ILE 16 CO -0.05 0.57 1.22 0.42 -1.23 0.00 0.00 174.94 175.87 1g0x s THR 17 N -0.20 3.29 0.21 2.92 -4.23 -1.26 -1.17 115.64 115.19 1g0x s THR 17 Ca -0.02 1.17 -0.31 0.00 -1.18 0.00 0.00 61.69 61.35 1g0x s THR 17 Cb -0.13 -3.75 -0.15 0.00 1.34 0.00 0.00 72.50 69.81 1g0x s THR 17 CO 0.03 0.23 1.16 1.67 -0.54 0.00 0.00 174.62 177.17 1g0x n GLN 18 N 1.82 1.33 0.00 3.99 0.00 -0.53 -1.44 117.38 122.56 1g0x n GLN 18 Ca 0.02 0.47 0.00 0.00 -0.00 0.00 0.00 57.00 57.50 1g0x n GLN 18 Cb 0.44 -1.96 0.00 0.00 0.00 0.00 0.00 30.24 28.71 1g0x n GLN 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1g0x n GLY 19 N 1.86 2.17 3.92 1.69 0.00 0.45 -4.95 105.19 110.33 1g0x n GLY 19 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1g0x n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g0x s SER 20 N -1.94 6.31 0.48 1.61 0.01 -0.52 -4.37 113.70 115.27 1g0x s SER 20 Ca 0.00 0.73 -0.07 0.00 1.31 0.00 0.00 55.95 57.92 1g0x s SER 20 Cb 0.00 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1g0x s SER 20 CO 0.00 -0.41 0.81 -2.16 0.41 0.00 0.00 173.24 171.89 1g0x s PRO 21 N -4.37 3.61 -0.15 12.44 0.04 -1.20 -0.98 135.00 144.38 1g0x s PRO 21 Ca 0.44 0.33 -0.29 0.00 0.04 0.00 0.00 61.00 61.52 1g0x s PRO 21 Cb -0.10 -2.35 0.09 0.00 0.04 0.00 0.00 34.50 32.18 1g0x s PRO 21 CO 0.39 -0.20 0.80 0.54 0.04 0.00 0.00 177.00 178.57 1g0x s VAL 22 N -2.70 0.00 -0.13 -0.36 0.11 -0.45 -4.67 120.40 112.20 1g0x s VAL 22 Ca 0.49 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.56 1g0x s VAL 22 Cb -0.10 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.76 1g0x s VAL 22 CO 0.42 0.00 -0.17 -0.89 -3.33 0.00 0.00 175.10 171.13 1g0x s THR 23 N -0.65 1.69 0.05 5.04 2.01 0.42 -0.25 115.64 123.96 1g0x s THR 23 Ca -0.05 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 61.00 1g0x s THR 23 Cb -0.02 -1.53 -0.06 0.00 0.01 0.00 0.00 72.50 70.90 1g0x s THR 23 CO 0.04 0.48 0.60 -0.76 -0.69 0.00 0.00 174.62 174.29 1g0x s LEU 24 N 1.02 4.49 0.01 4.42 1.43 -0.46 -1.28 118.68 128.30 1g0x s LEU 24 Ca -0.05 1.26 0.04 0.00 -1.03 0.00 0.00 54.13 54.35 1g0x s LEU 24 Cb -0.15 -2.95 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 1g0x s LEU 24 CO -0.03 0.20 -0.11 -0.13 0.23 0.00 0.00 176.35 176.51 1g0x s ARG 25 N -0.76 0.85 -0.02 1.70 0.52 0.10 -0.99 118.95 120.35 1g0x s ARG 25 Ca 0.30 -0.51 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 1g0x s ARG 25 Cb -0.19 -0.82 -0.01 0.00 0.52 0.00 0.00 34.95 34.45 1g0x s ARG 25 CO 0.19 0.22 -0.15 0.00 0.02 0.00 0.00 175.30 175.57 1g0x s GLN 27 N -0.24 0.09 0.00 0.00 0.74 0.06 -4.45 119.66 115.86 1g0x s GLN 27 Ca 0.03 0.47 0.00 0.00 0.05 0.00 0.00 55.36 55.92 1g0x s GLN 27 Cb -0.07 -0.19 0.00 0.00 1.10 0.00 0.00 33.01 33.84 1g0x s GLN 27 CO -0.00 -0.22 0.00 0.41 -0.55 0.00 0.00 175.29 174.93 1g0x n GLY 28 N 4.64 0.03 1.16 2.59 0.00 -1.26 0.22 105.19 112.57 1g0x n GLY 28 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1g0x n GLY 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1g0x n THR 32 N -1.35 0.02 0.00 2.61 -1.04 -1.26 -4.98 114.28 108.29 1g0x n THR 32 Ca 0.00 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1g0x n THR 32 Cb 0.00 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 1g0x n THR 32 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g0x n GLN 33 N -2.93 2.32 -1.36 -2.82 6.02 -1.26 -4.81 117.38 112.55 1g0x n GLN 33 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 1g0x n GLN 33 Cb 0.41 -0.44 -0.04 0.00 1.02 0.00 0.00 30.24 31.18 1g0x n GLN 33 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1g0x n GLU 34 N -0.28 3.60 -2.64 -1.09 1.02 -1.26 -4.09 120.64 115.89 1g0x n GLU 34 Ca 0.00 -2.21 -0.40 0.00 -0.02 0.00 0.00 57.16 54.53 1g0x n GLU 34 Cb 0.00 -2.68 -0.05 0.00 -0.02 0.00 0.00 31.44 28.69 1g0x n GLU 34 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1g0x s TYR 35 N 1.59 3.80 -0.20 -0.32 1.51 -1.26 -0.61 117.35 121.86 1g0x s TYR 35 Ca 0.68 1.82 -0.02 0.00 -1.01 0.00 0.00 57.07 58.54 1g0x s TYR 35 Cb 0.20 -3.10 0.06 0.00 -0.11 0.00 0.00 41.96 39.01 1g0x s TYR 35 CO -0.06 0.03 0.01 1.03 -1.11 0.00 0.00 175.55 175.46 1g0x s ARG 36 N -1.38 0.86 -0.06 -0.62 0.52 0.14 -4.96 118.95 113.46 1g0x s ARG 36 Ca 0.43 -0.52 -0.03 0.00 -0.52 0.00 0.00 55.73 55.09 1g0x s ARG 36 Cb -0.28 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 1g0x s ARG 36 CO 0.35 -0.62 0.11 -1.17 0.02 0.00 0.00 175.30 173.99 1g0x s LEU 37 N 1.77 4.12 0.08 2.53 2.96 -1.26 -1.75 118.68 127.14 1g0x s LEU 37 Ca -0.02 0.30 -0.18 0.00 -0.22 0.00 0.00 54.13 54.02 1g0x s LEU 37 Cb -0.17 -2.20 0.04 0.00 0.50 0.00 0.00 46.19 44.35 1g0x s LEU 37 CO -0.07 0.34 0.42 -0.72 -1.32 0.00 0.00 176.35 174.99 1g0x s TYR 38 N -1.11 -0.25 -0.11 5.38 -0.85 -0.67 -5.00 117.35 114.74 1g0x s TYR 38 Ca 0.19 0.09 -0.05 0.00 -0.52 0.00 0.00 57.07 56.78 1g0x s TYR 38 Cb -0.12 0.25 -0.04 0.00 0.38 0.00 0.00 41.96 42.44 1g0x s TYR 38 CO 0.10 -0.64 0.08 0.50 -1.52 0.00 0.00 175.55 174.06 1g0x s ARG 39 N -3.13 3.31 0.48 -3.49 3.52 -1.26 -1.67 118.95 116.71 1g0x s ARG 39 Ca -0.01 -0.25 -0.20 0.00 -0.13 0.00 0.00 55.73 55.14 1g0x s ARG 39 Cb 0.00 -3.04 -0.09 0.00 -1.56 0.00 0.00 34.95 30.27 1g0x s ARG 39 CO -0.07 0.71 1.01 -1.21 -0.81 0.00 0.00 175.30 174.93 1g0x s GLU 40 N -0.86 3.89 0.00 5.12 2.02 0.29 -4.06 118.70 125.10 1g0x s GLU 40 Ca 0.13 1.23 0.00 0.00 0.02 0.00 0.00 54.97 56.35 1g0x s GLU 40 Cb -0.12 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 32.00 1g0x s GLU 40 CO 0.03 -0.34 0.00 1.63 0.02 0.00 0.00 175.26 176.60 1g0x n LYS 41 N -1.05 0.00 -3.69 1.61 4.76 -1.26 -4.70 118.16 113.83 1g0x n LYS 41 Ca 0.08 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.40 1g0x n LYS 41 Cb 0.53 -0.54 -0.12 0.00 -1.84 0.00 0.00 35.03 33.06 1g0x n LYS 41 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1g0x s LYS 42 N 0.00 0.23 0.68 1.97 2.20 -1.26 -5.14 119.74 118.42 1g0x s LYS 42 Ca 0.00 0.74 -0.17 0.00 -0.36 0.00 0.00 55.97 56.18 1g0x s LYS 42 Cb 0.00 -0.00 -0.01 0.00 -1.51 0.00 0.00 37.83 36.31 1g0x s LYS 42 CO 0.00 -0.23 0.99 0.25 -0.36 0.00 0.00 175.35 176.00 1g0x n THR 43 N 4.88 3.27 -4.00 3.43 -2.24 -1.26 -4.55 114.28 113.81 1g0x n THR 43 Ca -0.14 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 60.91 1g0x n THR 43 Cb 0.51 -1.14 -0.15 0.00 -2.10 0.00 0.00 70.33 67.45 1g0x n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g0x s ALA 44 N -1.70 2.87 0.55 6.98 0.00 -1.26 -4.97 121.76 124.23 1g0x s ALA 44 Ca 0.75 -2.55 0.25 0.00 0.00 0.00 0.00 51.96 50.41 1g0x s ALA 44 Cb -0.37 -1.97 1.46 0.00 0.00 0.00 0.00 23.12 22.25 1g0x s ALA 44 CO 0.48 -1.71 2.04 -1.35 0.00 0.00 0.00 175.76 175.22 1g0x h PRO 45 N 7.55 0.00 -0.65 0.00 0.11 -1.96 -2.61 132.00 134.44 1g0x h PRO 45 Ca -0.05 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.11 1g0x h PRO 45 Cb 1.01 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 1g0x h PRO 45 CO 0.53 0.00 0.43 0.11 -0.21 0.00 0.00 178.00 178.86 1g0x h TRP 46 N 0.00 0.70 -0.55 0.65 5.08 -1.98 -2.06 115.95 117.79 1g0x h TRP 46 Ca 0.16 0.02 0.06 0.00 1.08 0.00 0.00 58.89 60.21 1g0x h TRP 46 Cb 0.71 -0.23 -0.05 0.00 -3.00 0.00 0.00 29.16 26.59 1g0x h TRP 46 CO 0.00 0.40 0.25 0.82 -1.28 0.00 0.00 178.44 178.63 1g0x h ILE 47 N 0.72 0.89 0.00 0.12 2.04 -1.86 -1.04 117.51 118.38 1g0x h ILE 47 Ca 0.27 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1g0x h ILE 47 Cb 0.16 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1g0x h ILE 47 CO -0.08 0.09 0.00 0.71 0.00 0.00 0.00 178.15 178.87 1g0x h THR 48 N 0.48 0.00 -0.01 -0.27 1.35 -1.54 -2.08 112.91 110.84 1g0x h THR 48 Ca 0.26 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1g0x h THR 48 Cb 0.22 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1g0x h THR 48 CO -0.21 0.00 -0.19 0.54 -0.25 0.00 0.00 175.52 175.41 1g0x n ARG 49 N -2.98 0.99 -2.30 4.72 1.74 -0.40 -4.90 116.66 113.54 1g0x n ARG 49 Ca -0.02 -0.56 -0.42 0.00 -0.77 0.00 0.00 57.85 56.08 1g0x n ARG 49 Cb 0.11 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 1g0x n ARG 49 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1g0x s ILE 50 N -2.39 3.62 0.39 0.55 -1.09 -0.78 -4.97 121.20 116.52 1g0x s ILE 50 Ca 0.28 1.20 -0.27 0.00 -2.23 0.00 0.00 60.65 59.62 1g0x s ILE 50 Cb 0.20 -3.77 -0.11 0.00 -1.58 0.00 0.00 42.46 37.20 1g0x s ILE 50 CO 0.48 0.11 1.36 -2.65 -1.23 0.00 0.00 174.94 173.01 1g0x n PRO 51 N 3.66 2.26 0.25 2.79 -0.02 -1.26 -4.79 135.00 137.88 1g0x n PRO 51 Ca 0.09 0.80 0.13 0.00 -2.02 0.00 0.00 63.50 62.50 1g0x n PRO 51 Cb 0.44 -2.48 0.79 0.00 -0.02 0.00 0.00 33.50 32.23 1g0x n PRO 51 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1g0x h GLN 52 N 2.52 0.00 0.00 -0.52 5.75 -1.97 -0.47 115.11 120.42 1g0x h GLN 52 Ca -0.49 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.01 1g0x h GLN 52 Cb 1.27 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.82 1g0x h GLN 52 CO 0.62 0.00 -0.05 1.05 -2.65 0.00 0.00 178.83 177.81 1g0x h GLU 53 N 0.00 0.00 0.08 1.69 4.11 -1.99 -0.84 114.58 117.63 1g0x h GLU 53 Ca 0.03 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.10 1g0x h GLU 53 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1g0x h GLU 53 CO -0.00 0.05 -2.03 1.28 0.07 0.00 0.00 179.01 178.38 1g0x n LEU 54 N -4.28 2.23 -0.26 3.06 4.77 -0.25 -4.13 117.00 118.14 1g0x n LEU 54 Ca -0.03 0.19 -0.01 0.00 -0.03 0.00 0.00 56.01 56.13 1g0x n LEU 54 Cb 0.13 -0.77 0.11 0.00 -2.33 0.00 0.00 43.42 40.55 1g0x n LEU 54 CO 0.33 0.76 1.13 0.58 -1.33 0.00 0.00 177.39 178.86 1g0x h VAL 55 N 0.05 1.02 0.00 4.08 2.07 -0.99 -0.08 116.25 122.39 1g0x h VAL 55 Ca -0.42 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1g0x h VAL 55 Cb 2.02 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1g0x h VAL 55 CO 0.06 0.15 -0.00 0.11 0.02 0.00 0.00 177.57 177.91 1g0x h LYS 56 N 0.81 0.00 -0.59 1.57 1.57 -1.31 0.16 116.57 118.78 1g0x h LYS 56 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1g0x h LYS 56 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1g0x h LYS 56 CO -0.16 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.35 1g0x n LYS 57 N -3.44 3.03 -2.46 3.15 5.02 -0.21 -4.32 118.16 118.92 1g0x n LYS 57 Ca -0.03 -2.57 -0.18 0.00 -2.02 0.00 0.00 58.31 53.51 1g0x n LYS 57 Cb 0.08 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1g0x n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1g0x n GLY 58 N 1.13 -0.35 3.30 0.72 0.00 0.55 -4.86 105.19 105.68 1g0x n GLY 58 Ca 0.21 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1g0x n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g0x s GLN 59 N -5.02 3.33 -0.58 1.61 -0.21 -0.23 -1.48 119.66 117.08 1g0x s GLN 59 Ca 0.06 -0.67 0.04 0.00 0.02 0.00 0.00 55.36 54.81 1g0x s GLN 59 Cb -0.03 -2.86 0.16 0.00 1.00 0.00 0.00 33.01 31.29 1g0x s GLN 59 CO 0.07 -0.10 0.40 -0.06 -2.12 0.00 0.00 175.29 173.49 1g0x s PHE 60 N 1.17 2.62 0.37 0.91 0.40 -0.17 -3.83 117.98 119.45 1g0x s PHE 60 Ca 0.02 -2.92 -0.25 0.00 -0.60 0.00 0.00 56.93 53.18 1g0x s PHE 60 Cb -0.14 -2.09 -0.10 0.00 0.51 0.00 0.00 43.02 41.20 1g0x s PHE 60 CO -0.03 -0.67 1.00 -1.25 0.70 0.00 0.00 175.22 174.97 1g0x s PRO 61 N -0.72 4.37 -0.34 0.24 0.04 -1.26 -1.36 135.00 135.97 1g0x s PRO 61 Ca 0.26 1.41 0.02 0.00 0.04 0.00 0.00 61.00 62.72 1g0x s PRO 61 Cb -0.06 -2.64 0.10 0.00 0.04 0.00 0.00 34.50 31.95 1g0x s PRO 61 CO -0.14 0.06 0.08 0.42 0.04 0.00 0.00 177.00 177.46 1g0x s ILE 62 N -1.68 1.73 0.38 0.56 1.01 0.66 -4.96 121.20 118.91 1g0x s ILE 62 Ca 0.55 -2.04 0.07 0.00 0.00 0.00 0.00 60.65 59.22 1g0x s ILE 62 Cb -0.20 -2.28 0.29 0.00 0.01 0.00 0.00 42.46 40.28 1g0x s ILE 62 CO 0.25 -0.65 1.98 -0.65 0.00 0.00 0.00 174.94 175.87 1g0x h PRO 63 N 7.71 0.68 -2.07 2.79 0.11 -1.90 -1.20 132.00 138.11 1g0x h PRO 63 Ca -0.08 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 65.74 1g0x h PRO 63 Cb 1.01 -0.15 -0.32 0.00 0.11 0.00 0.00 31.00 31.65 1g0x h PRO 63 CO 0.51 0.45 -0.58 0.45 -0.21 0.00 0.00 178.00 178.62 1g0x s SER 64 N -6.29 1.02 0.41 -2.05 0.15 -1.26 -3.27 113.70 102.41 1g0x s SER 64 Ca -0.09 -0.34 -0.24 0.00 0.70 0.00 0.00 55.95 55.97 1g0x s SER 64 Cb 0.19 0.75 -0.08 0.00 -1.71 0.00 0.00 66.02 65.17 1g0x s SER 64 CO 0.76 -0.35 1.14 -0.51 1.20 0.00 0.00 173.24 175.48 1g0x s ILE 65 N 2.44 3.28 0.31 6.45 2.07 -0.15 -4.76 121.20 130.83 1g0x s ILE 65 Ca 0.10 1.02 0.06 0.00 -1.41 0.00 0.00 60.65 60.42 1g0x s ILE 65 Cb -0.14 -3.55 -0.06 0.00 0.13 0.00 0.00 42.46 38.83 1g0x s ILE 65 CO -0.24 0.05 -0.02 0.42 -1.91 0.00 0.00 174.94 173.24 1g0x s THR 66 N -1.50 1.58 0.38 4.00 -4.23 -1.26 -0.41 115.64 114.20 1g0x s THR 66 Ca 0.59 -2.08 0.12 0.00 -1.18 0.00 0.00 61.69 59.13 1g0x s THR 66 Cb -0.28 -2.61 0.34 0.00 1.34 0.00 0.00 72.50 71.29 1g0x s THR 66 CO 0.35 -0.18 1.88 -0.50 -0.54 0.00 0.00 174.62 175.62 1g0x h TRP 67 N 2.17 0.71 0.00 3.99 4.06 -1.97 -0.47 115.95 124.44 1g0x h TRP 67 Ca -0.41 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.56 1g0x h TRP 67 Cb 1.24 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 29.17 1g0x h TRP 67 CO 0.66 0.25 0.00 0.93 -3.56 0.00 0.00 178.44 176.72 1g0x h GLU 68 N 0.59 0.00 0.00 0.49 3.07 -2.01 -2.38 114.58 114.34 1g0x h GLU 68 Ca 0.44 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.21 1g0x h GLU 68 Cb 0.82 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 1g0x h GLU 68 CO -0.19 0.00 -0.54 0.45 -1.40 0.00 0.00 179.01 177.34 1g0x h HIS 69 N 0.00 0.00 -3.43 4.33 3.86 -1.48 -3.47 115.15 114.96 1g0x h HIS 69 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 1g0x h HIS 69 Cb 0.17 0.00 0.12 0.00 1.06 0.00 0.00 27.41 28.76 1g0x h HIS 69 CO 0.00 0.39 0.47 0.00 0.86 0.00 0.00 177.93 179.65 1g0x n ALA 70 N -2.22 1.19 0.00 2.45 0.00 -0.90 -4.93 120.51 116.11 1g0x n ALA 70 Ca 0.01 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1g0x n ALA 70 Cb 0.70 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1g0x n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g0x n GLY 71 N 0.83 -0.60 3.46 0.00 0.00 -0.71 -5.01 105.19 103.17 1g0x n GLY 71 Ca 0.06 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 1g0x n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1g0x s ARG 72 N -2.00 3.36 0.21 1.61 3.52 -1.26 -0.50 118.95 123.89 1g0x s ARG 72 Ca 0.00 -0.71 0.07 0.00 -0.13 0.00 0.00 55.73 54.96 1g0x s ARG 72 Cb 0.00 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 1g0x s ARG 72 CO 0.00 -0.43 0.10 0.71 -0.81 0.00 0.00 175.30 174.87 1g0x s TYR 73 N 1.63 2.99 0.07 5.12 1.51 0.11 -0.55 117.35 128.24 1g0x s TYR 73 Ca 0.05 -0.11 -0.06 0.00 -1.01 0.00 0.00 57.07 55.94 1g0x s TYR 73 Cb -0.17 -1.39 -0.01 0.00 -0.11 0.00 0.00 41.96 40.27 1g0x s TYR 73 CO 0.07 0.54 0.12 1.03 -1.11 0.00 0.00 175.55 176.20 1g0x s ARG 74 N -3.39 0.73 0.03 -0.62 0.52 -0.67 0.21 118.95 115.75 1g0x s ARG 74 Ca 0.31 -0.97 -0.00 0.00 -0.52 0.00 0.00 55.73 54.55 1g0x s ARG 74 Cb -0.09 0.29 -0.02 0.00 0.52 0.00 0.00 34.95 35.65 1g0x s ARG 74 CO 0.22 -0.20 -0.03 0.00 0.02 0.00 0.00 175.30 175.31 1g0x s TYR 76 N -1.95 0.13 0.12 0.00 -0.85 -0.72 0.53 117.35 114.62 1g0x s TYR 76 Ca -0.11 -0.50 0.04 0.00 -0.52 0.00 0.00 57.07 55.98 1g0x s TYR 76 Cb -0.06 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 1g0x s TYR 76 CO -0.03 -1.01 -0.11 1.52 -1.52 0.00 0.00 175.55 174.41 1g0x s TYR 77 N -3.96 1.20 0.00 -3.49 -0.85 -1.26 0.27 117.35 109.27 1g0x s TYR 77 Ca 0.16 -0.68 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 1g0x s TYR 77 Cb -0.02 -0.63 0.00 0.00 0.38 0.00 0.00 41.96 41.69 1g0x s TYR 77 CO 0.05 0.06 0.00 0.41 -1.52 0.00 0.00 175.55 174.55 1g0x n GLY 78 N 0.23 -0.11 3.75 5.49 0.00 0.22 -1.85 105.19 112.92 1g0x n GLY 78 Ca -0.13 -1.84 -0.02 0.00 0.00 0.00 0.00 46.02 44.02 1g0x n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g0x s SER 79 N -4.00 -0.13 0.16 1.61 1.04 -0.41 -4.88 113.70 107.09 1g0x s SER 79 Ca 0.00 -0.40 -0.15 0.00 0.48 0.00 0.00 55.95 55.88 1g0x s SER 79 Cb 0.00 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1g0x s SER 79 CO 0.00 -0.81 1.82 0.44 0.98 0.00 0.00 173.24 175.68 1g0x h ASP 80 N 2.00 0.50 0.64 7.02 3.32 -1.98 0.60 116.42 128.53 1g0x h ASP 80 Ca -0.26 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.75 1g0x h ASP 80 Cb 1.22 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1g0x h ASP 80 CO 0.27 0.36 -0.33 0.74 -1.72 0.00 0.00 179.24 178.57 1g0x h THR 81 N 0.60 0.34 -0.00 0.35 2.02 -2.04 -3.19 112.91 110.98 1g0x h THR 81 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1g0x h THR 81 Cb -0.06 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1g0x h THR 81 CO -0.04 0.00 -0.28 0.00 0.37 0.00 0.00 175.52 175.57 1g0x n ALA 82 N -2.49 3.08 0.00 6.16 0.00 -1.21 -5.04 120.51 121.02 1g0x n ALA 82 Ca -0.13 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1g0x n ALA 82 Cb 0.37 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1g0x n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g0x n GLY 83 N 1.39 2.24 3.13 0.00 0.00 0.21 -4.82 105.19 107.35 1g0x n GLY 83 Ca 0.10 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 1g0x n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1g0x s ARG 84 N -4.73 0.73 0.85 1.61 1.70 -1.10 -1.28 118.95 116.72 1g0x s ARG 84 Ca 0.00 -1.20 -0.12 0.00 -0.47 0.00 0.00 55.73 53.94 1g0x s ARG 84 Cb 0.00 -0.14 0.12 0.00 -0.57 0.00 0.00 34.95 34.36 1g0x s ARG 84 CO 0.00 -0.02 1.20 -1.54 -1.08 0.00 0.00 175.30 173.86 1g0x s SER 85 N -2.73 4.05 0.83 -2.89 1.04 -0.77 -4.75 113.70 108.49 1g0x s SER 85 Ca 0.06 0.52 -0.11 0.00 0.48 0.00 0.00 55.95 56.91 1g0x s SER 85 Cb 0.03 -0.88 0.09 0.00 0.10 0.00 0.00 66.02 65.36 1g0x s SER 85 CO -0.05 -2.16 1.09 -1.61 0.98 0.00 0.00 173.24 171.50 1g0x s GLU 86 N -5.63 1.78 0.50 4.02 2.02 -1.22 -4.72 118.70 115.44 1g0x s GLU 86 Ca 0.66 0.77 -0.19 0.00 0.02 0.00 0.00 54.97 56.24 1g0x s GLU 86 Cb -0.08 -1.87 -0.08 0.00 0.10 0.00 0.00 34.13 32.19 1g0x s GLU 86 CO 0.50 -1.87 1.00 -1.12 0.02 0.00 0.00 175.26 173.79 1g0x s SER 87 N -3.65 6.49 1.00 -0.19 0.01 -1.26 -4.43 113.70 111.66 1g0x s SER 87 Ca 0.62 1.75 -0.13 0.00 1.31 0.00 0.00 55.95 59.49 1g0x s SER 87 Cb -0.16 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 63.72 1g0x s SER 87 CO 0.56 -0.68 1.11 -0.94 0.41 0.00 0.00 173.24 173.70 1g0x s SER 88 N -2.47 2.65 0.71 2.44 1.04 0.19 -4.83 113.70 113.43 1g0x s SER 88 Ca 0.63 1.03 -0.16 0.00 0.48 0.00 0.00 55.95 57.93 1g0x s SER 88 Cb -0.12 -1.61 0.03 0.00 0.10 0.00 0.00 66.02 64.41 1g0x s SER 88 CO 0.24 -3.09 1.21 -1.81 0.98 0.00 0.00 173.24 170.77 1g0x s ASP 89 N -3.70 4.34 0.46 7.02 1.01 -1.26 -4.58 116.67 119.95 1g0x s ASP 89 Ca 0.66 2.38 -0.23 0.00 0.71 0.00 0.00 52.55 56.07 1g0x s ASP 89 Cb -0.16 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.10 1g0x s ASP 89 CO 0.56 -2.17 1.17 -2.16 0.21 0.00 0.00 175.17 172.78 1g0x s PRO 90 N -3.81 3.76 -0.21 8.23 0.04 -1.26 -4.74 135.00 137.02 1g0x s PRO 90 Ca 0.75 1.79 0.02 0.00 0.04 0.00 0.00 61.00 63.60 1g0x s PRO 90 Cb -0.30 -2.42 0.03 0.00 0.04 0.00 0.00 34.50 31.85 1g0x s PRO 90 CO 0.44 -0.55 -0.17 -1.17 0.04 0.00 0.00 177.00 175.59 1g0x s LEU 91 N -3.00 2.60 -0.57 -3.56 2.96 0.13 -4.94 118.68 112.30 1g0x s LEU 91 Ca 0.63 -0.92 -0.20 0.00 -0.22 0.00 0.00 54.13 53.42 1g0x s LEU 91 Cb -0.29 -1.50 0.08 0.00 0.50 0.00 0.00 46.19 44.98 1g0x s LEU 91 CO 0.35 -0.07 0.75 -1.61 -1.32 0.00 0.00 176.35 174.45 1g0x s GLU 92 N 1.23 3.11 -0.35 1.98 2.02 -1.26 0.10 118.70 125.52 1g0x s GLU 92 Ca -0.00 -0.99 -0.24 0.00 0.02 0.00 0.00 54.97 53.76 1g0x s GLU 92 Cb -0.16 -4.19 0.01 0.00 0.10 0.00 0.00 34.13 29.90 1g0x s GLU 92 CO -0.10 -1.49 0.83 -1.17 0.02 0.00 0.00 175.26 173.35 1g0x s LEU 93 N 3.06 4.08 -0.11 1.80 2.96 0.35 -4.77 118.68 126.05 1g0x s LEU 93 Ca 0.16 0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 54.56 1g0x s LEU 93 Cb -0.20 -3.12 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 1g0x s LEU 93 CO 0.10 -0.74 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.68 1g0x s VAL 94 N 3.19 4.15 -0.15 1.68 1.01 0.87 -1.73 120.40 129.41 1g0x s VAL 94 Ca 0.34 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1g0x s VAL 94 Cb -0.13 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 1g0x s VAL 94 CO 0.16 0.56 -0.14 -0.69 0.00 0.00 0.00 175.10 175.00 1g0x s VAL 95 N -0.42 2.83 0.26 2.92 1.01 -0.69 -0.71 120.40 125.61 1g0x s VAL 95 Ca 0.07 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.41 1g0x s VAL 95 Cb -0.12 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1g0x s VAL 95 CO 0.02 0.51 0.17 0.42 0.00 0.00 0.00 175.10 176.23 1g0x s THR 96 N 0.73 4.28 0.00 3.92 -4.23 -0.32 -1.58 115.64 118.45 1g0x s THR 96 Ca -0.06 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1g0x s THR 96 Cb -0.15 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.36 1g0x s THR 96 CO 0.01 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1g0x n GLY 97 N -1.15 1.13 0.19 3.99 0.00 -0.07 -1.45 105.19 107.82 1g0x n GLY 97 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1g0x n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g0x h ALA 98 N 0.00 0.87 -2.20 4.61 0.00 -1.35 -3.40 119.26 117.80 1g0x h ALA 98 Ca 0.00 -0.28 -0.39 0.00 0.00 0.00 0.00 54.91 54.24 1g0x h ALA 98 Cb 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.60 1g0x h ALA 98 CO 0.00 0.39 -0.64 0.71 0.00 0.00 0.00 179.25 179.71 1g0x s TYR 99 N -3.30 1.62 0.34 0.00 1.51 -1.26 -4.93 117.35 111.33 1g0x s TYR 99 Ca 0.03 -0.99 -0.28 0.00 -1.01 0.00 0.00 57.07 54.82 1g0x s TYR 99 Cb 0.08 -0.96 -0.12 0.00 -0.11 0.00 0.00 41.96 40.85 1g0x s TYR 99 CO 0.69 -0.10 1.31 0.44 -1.11 0.00 0.00 175.55 176.78 1g0x n ILE 100 N -0.47 1.94 -2.38 2.71 -5.35 -1.26 -1.13 119.36 113.41 1g0x n ILE 100 Ca -0.04 -0.48 -0.41 0.00 -0.27 0.00 0.00 62.75 61.55 1g0x n ILE 100 Cb 0.65 -1.60 -0.04 0.00 -1.74 0.00 0.00 39.64 36.91 1g0x n ILE 100 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1g0x s LYS 101 N -1.81 4.55 0.80 6.28 -2.85 -1.26 -4.47 119.74 120.97 1g0x s LYS 101 Ca 0.56 1.90 -0.10 0.00 -1.00 0.00 0.00 55.97 57.33 1g0x s LYS 101 Cb -0.56 -3.19 0.11 0.00 -2.06 0.00 0.00 37.83 32.13 1g0x s LYS 101 CO 0.62 0.05 1.14 -1.25 0.10 0.00 0.00 175.35 176.00 1g0x s PRO 102 N -1.11 1.67 -0.17 1.78 0.04 -1.26 -4.91 135.00 131.03 1g0x s PRO 102 Ca 0.48 -0.29 -0.06 0.00 0.04 0.00 0.00 61.00 61.17 1g0x s PRO 102 Cb -0.33 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 1g0x s PRO 102 CO 0.42 -1.67 0.02 0.99 0.04 0.00 0.00 177.00 176.80 1g0x s THR 103 N -3.49 4.40 -0.17 1.26 2.01 0.14 -4.31 115.64 115.48 1g0x s THR 103 Ca 0.65 -0.17 -0.00 0.00 0.31 0.00 0.00 61.69 62.47 1g0x s THR 103 Cb -0.08 -2.96 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1g0x s THR 103 CO 0.48 0.47 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.51 1g0x s LEU 104 N 0.38 2.42 0.08 4.42 2.96 -1.26 0.48 118.68 128.16 1g0x s LEU 104 Ca -0.00 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 1g0x s LEU 104 Cb -0.13 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1g0x s LEU 104 CO 0.01 0.04 -0.07 -0.94 -1.32 0.00 0.00 176.35 174.08 1g0x s SER 105 N 1.06 1.02 -0.13 3.68 1.04 -0.41 -4.89 113.70 115.08 1g0x s SER 105 Ca -0.01 -0.86 -0.12 0.00 0.48 0.00 0.00 55.95 55.44 1g0x s SER 105 Cb -0.14 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 66.01 1g0x s SER 105 CO -0.04 -0.39 0.25 0.00 0.98 0.00 0.00 173.24 174.03 1g0x s ALA 106 N -2.93 3.69 -0.19 5.32 0.00 -1.26 -0.74 121.76 125.65 1g0x s ALA 106 Ca 0.05 -0.50 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 1g0x s ALA 106 Cb 0.01 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 1g0x s ALA 106 CO -0.03 0.29 -0.06 -1.14 0.00 0.00 0.00 175.76 174.81 1g0x s GLN 107 N -0.14 3.43 0.00 0.00 2.00 0.27 -2.70 119.66 122.52 1g0x s GLN 107 Ca 0.16 -0.62 0.26 0.00 -2.00 0.00 0.00 55.36 53.16 1g0x s GLN 107 Cb -0.13 -2.91 0.75 0.00 0.80 0.00 0.00 33.01 31.53 1g0x s GLN 107 CO 0.04 -0.03 1.57 -0.35 -0.50 0.00 0.00 175.29 176.02 1g0x n PRO 108 N 4.30 0.37 -3.58 1.67 -0.04 -1.26 -2.65 135.00 133.80 1g0x n PRO 108 Ca -0.18 -0.19 -0.17 0.00 -0.04 0.00 0.00 63.50 62.92 1g0x n PRO 108 Cb 0.52 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 1g0x n PRO 108 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1g0x s SER 109 N -2.76 -0.56 0.48 3.54 0.15 -1.10 -5.01 113.70 108.43 1g0x s SER 109 Ca 0.18 0.64 0.27 0.00 0.70 0.00 0.00 55.95 57.74 1g0x s SER 109 Cb 0.19 0.57 1.04 0.00 -1.71 0.00 0.00 66.02 66.10 1g0x s SER 109 CO 0.59 -0.54 1.87 -0.65 1.20 0.00 0.00 173.24 175.71 1g0x h PRO 110 N 3.39 0.00 -5.76 5.44 0.11 -1.93 -3.41 132.00 129.85 1g0x h PRO 110 Ca -0.28 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.21 1g0x h PRO 110 Cb 1.15 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.14 1g0x h PRO 110 CO 0.36 0.15 0.34 0.08 -0.21 0.00 0.00 178.00 178.72 1g0x s VAL 111 N -3.64 4.70 0.12 3.15 1.01 -1.26 -1.44 120.40 123.04 1g0x s VAL 111 Ca 0.01 0.62 0.05 0.00 0.00 0.00 0.00 61.98 62.66 1g0x s VAL 111 Cb 0.10 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1g0x s VAL 111 CO 0.61 -0.57 -0.12 0.68 0.00 0.00 0.00 175.10 175.70 1g0x s VAL 112 N 3.16 1.19 0.46 2.92 -7.23 -0.75 -4.99 120.40 115.16 1g0x s VAL 112 Ca 0.30 -1.78 -0.18 0.00 -1.81 0.00 0.00 61.98 58.51 1g0x s VAL 112 Cb -0.13 -1.55 -0.09 0.00 0.56 0.00 0.00 36.38 35.16 1g0x s VAL 112 CO 0.20 -0.53 0.95 0.20 -0.31 0.00 0.00 175.10 175.60 1g0x s ASN 113 N -2.62 6.78 0.49 4.85 0.01 -1.26 -1.17 114.94 122.03 1g0x s ASN 113 Ca 0.10 1.60 -0.24 0.00 -0.71 0.00 0.00 52.86 53.61 1g0x s ASN 113 Cb -0.03 -2.51 -0.07 0.00 0.41 0.00 0.00 41.25 39.05 1g0x s ASN 113 CO 0.02 -0.45 1.39 -0.24 -1.51 0.00 0.00 177.10 176.31 1g0x n SER 114 N -1.04 2.99 0.00 -1.22 2.88 -1.21 -2.35 113.62 113.67 1g0x n SER 114 Ca 0.06 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1g0x n SER 114 Cb 0.54 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1g0x n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1g0x n GLY 115 N 0.67 1.67 3.97 0.46 0.00 0.25 -4.96 105.19 107.25 1g0x n GLY 115 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1g0x n GLY 115 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g0x s GLY 116 N -1.96 1.79 0.13 -0.02 0.00 -0.99 -4.53 107.32 101.73 1g0x s GLY 116 Ca 0.00 -1.31 0.09 0.00 0.00 0.00 0.00 44.72 43.50 1g0x s GLY 116 CO 0.00 -0.95 -0.18 -1.31 0.00 0.00 0.00 173.10 170.66 1g0x s ASN 117 N -4.50 3.85 0.03 1.64 0.01 -1.26 -1.27 114.94 113.44 1g0x s ASN 117 Ca 0.60 -0.59 0.02 0.00 -0.71 0.00 0.00 52.86 52.18 1g0x s ASN 117 Cb -0.10 -0.52 -0.02 0.00 0.41 0.00 0.00 41.25 41.02 1g0x s ASN 117 CO 0.41 0.17 -0.08 0.54 -1.51 0.00 0.00 177.10 176.63 1g0x s VAL 118 N -1.21 0.56 -0.23 1.60 0.11 -0.42 -5.00 120.40 115.81 1g0x s VAL 118 Ca 0.18 -0.89 -0.12 0.00 -2.93 0.00 0.00 61.98 58.22 1g0x s VAL 118 Cb -0.10 -0.59 -0.05 0.00 -1.53 0.00 0.00 36.38 34.11 1g0x s VAL 118 CO 0.10 -0.25 0.23 -0.89 -3.33 0.00 0.00 175.10 170.96 1g0x s THR 119 N -1.07 5.31 -0.12 5.04 2.01 -1.08 -1.74 115.64 123.99 1g0x s THR 119 Ca -0.06 0.32 -0.05 0.00 0.31 0.00 0.00 61.69 62.21 1g0x s THR 119 Cb -0.08 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1g0x s THR 119 CO 0.00 0.31 0.06 -0.76 -0.69 0.00 0.00 174.62 173.54 1g0x s LEU 120 N 1.19 3.87 -0.14 4.42 1.43 0.95 0.95 118.68 131.35 1g0x s LEU 120 Ca 0.11 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1g0x s LEU 120 Cb -0.14 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1g0x s LEU 120 CO 0.06 0.34 -0.19 -1.58 0.23 0.00 0.00 176.35 175.21 1g0x s GLN 121 N -0.66 3.13 -0.34 1.70 0.74 0.08 -0.73 119.66 123.58 1g0x s GLN 121 Ca 0.11 -0.80 -0.07 0.00 0.05 0.00 0.00 55.36 54.65 1g0x s GLN 121 Cb -0.12 -2.51 0.04 0.00 1.10 0.00 0.00 33.01 31.52 1g0x s GLN 121 CO 0.02 0.05 0.11 0.00 -0.55 0.00 0.00 175.29 174.93 1g0x s ASP 123 N 1.42 4.28 0.12 0.00 2.15 0.18 -1.76 116.67 123.07 1g0x s ASP 123 Ca -0.01 -0.19 0.10 0.00 0.43 0.00 0.00 52.55 52.87 1g0x s ASP 123 Cb -0.19 -1.33 -0.04 0.00 -0.30 0.00 0.00 42.92 41.06 1g0x s ASP 123 CO 0.03 0.26 -0.23 -0.55 -0.17 0.00 0.00 175.17 174.51 1g0x s SER 124 N -0.20 2.93 0.00 -0.34 0.15 -0.72 0.28 113.70 115.80 1g0x s SER 124 Ca 0.01 -0.74 0.26 0.00 0.70 0.00 0.00 55.95 56.18 1g0x s SER 124 Cb -0.13 -0.18 0.60 0.00 -1.71 0.00 0.00 66.02 64.60 1g0x s SER 124 CO 0.03 0.11 1.48 0.00 1.20 0.00 0.00 173.24 176.06 1g0x n GLN 125 N 0.91 0.12 -4.84 5.44 1.13 -1.26 -4.78 117.38 114.09 1g0x n GLN 125 Ca -0.18 -0.07 -0.26 0.00 -1.94 0.00 0.00 57.00 54.55 1g0x n GLN 125 Cb 0.54 -1.50 -0.15 0.00 0.11 0.00 0.00 30.24 29.24 1g0x n GLN 125 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1g0x s VAL 126 N -2.92 1.57 0.23 5.09 1.01 -1.26 -5.11 120.40 119.01 1g0x s VAL 126 Ca 0.13 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 1g0x s VAL 126 Cb 0.18 -1.33 -0.10 0.00 0.00 0.00 0.00 36.38 35.13 1g0x s VAL 126 CO 0.66 0.35 1.39 0.00 0.00 0.00 0.00 175.10 177.51 1g0x s ALA 127 N -0.58 3.59 -0.07 5.51 0.00 -1.26 -4.76 121.76 124.19 1g0x s ALA 127 Ca 0.07 1.25 -0.05 0.00 0.00 0.00 0.00 51.96 53.23 1g0x s ALA 127 Cb -0.08 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.54 1g0x s ALA 127 CO 0.00 -0.67 0.19 -0.06 0.00 0.00 0.00 175.76 175.22 1g0x s PHE 128 N 0.06 -0.22 -2.12 0.00 0.40 -0.65 -5.00 117.98 110.45 1g0x s PHE 128 Ca 0.59 0.54 0.20 0.00 -0.60 0.00 0.00 56.93 57.66 1g0x s PHE 128 Cb -0.40 0.04 0.99 0.00 0.51 0.00 0.00 43.02 44.16 1g0x s PHE 128 CO 0.41 -0.13 1.66 -0.40 0.70 0.00 0.00 175.22 177.46 1g0x n ASP 129 N 3.44 0.68 -3.88 1.36 5.68 -1.23 -4.55 116.55 118.06 1g0x n ASP 129 Ca -0.17 -1.52 -0.16 0.00 -0.50 0.00 0.00 54.79 52.43 1g0x n ASP 129 Cb 0.56 -0.04 -0.15 0.00 -1.14 0.00 0.00 41.12 40.35 1g0x n ASP 129 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1g0x s GLY 130 N -1.60 0.25 -0.03 6.12 0.00 -0.48 -4.82 107.32 106.75 1g0x s GLY 130 Ca 0.30 0.00 0.02 0.00 0.00 0.00 0.00 44.72 45.04 1g0x s GLY 130 CO 0.24 0.27 -0.06 -1.36 0.00 0.00 0.00 173.10 172.20 1g0x s PHE 131 N 0.54 0.71 -0.03 1.90 0.40 -1.26 -0.52 117.98 119.73 1g0x s PHE 131 Ca -0.06 -0.18 0.05 0.00 -0.60 0.00 0.00 56.93 56.15 1g0x s PHE 131 Cb -0.09 -0.57 -0.01 0.00 0.51 0.00 0.00 43.02 42.86 1g0x s PHE 131 CO -0.01 -0.12 -0.19 0.42 0.70 0.00 0.00 175.22 176.02 1g0x s ILE 132 N 0.51 1.52 -0.17 0.64 -1.09 0.20 -1.02 121.20 121.78 1g0x s ILE 132 Ca -0.07 -0.79 -0.00 0.00 -2.23 0.00 0.00 60.65 57.56 1g0x s ILE 132 Cb -0.10 -1.28 0.00 0.00 -1.58 0.00 0.00 42.46 39.50 1g0x s ILE 132 CO 0.00 0.43 -0.14 -0.22 -1.23 0.00 0.00 174.94 173.78 1g0x s LEU 133 N -0.22 2.47 -0.13 2.97 2.96 -0.41 -0.52 118.68 125.79 1g0x s LEU 133 Ca 0.02 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1g0x s LEU 133 Cb -0.10 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 1g0x s LEU 133 CO 0.01 0.04 -0.15 0.00 -1.32 0.00 0.00 176.35 174.93 1g0x s LYS 135 N 0.42 3.59 -0.40 0.00 2.20 -0.10 -2.04 119.74 123.40 1g0x s LYS 135 Ca -0.12 -0.15 -0.28 0.00 -0.36 0.00 0.00 55.97 55.07 1g0x s LYS 135 Cb -0.16 -3.83 -0.03 0.00 -1.51 0.00 0.00 37.83 32.31 1g0x s LYS 135 CO 0.06 -0.70 1.91 -1.21 -0.36 0.00 0.00 175.35 175.04 1g0x s GLU 136 N 2.50 3.02 0.89 4.03 0.41 0.00 -2.01 118.70 127.55 1g0x s GLU 136 Ca 0.20 1.28 -0.10 0.00 -0.41 0.00 0.00 54.97 55.94 1g0x s GLU 136 Cb -0.15 -4.30 0.13 0.00 -1.78 0.00 0.00 34.13 28.03 1g0x s GLU 136 CO 0.14 -2.23 1.14 0.20 -0.49 0.00 0.00 175.26 174.02 1g0x s GLY 137 N 7.37 1.69 0.00 -1.39 0.00 -1.26 -4.59 107.32 109.14 1g0x s GLY 137 Ca 0.80 0.54 0.00 0.00 0.00 0.00 0.00 44.72 46.07 1g0x s GLY 137 CO 0.30 0.95 0.00 1.18 0.00 0.00 0.00 173.10 175.53 1g0x n GLU 138 N -4.12 0.00 -1.64 2.90 1.02 -1.26 -4.86 120.64 112.68 1g0x n GLU 138 Ca 0.11 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.85 1g0x n GLU 138 Cb 0.52 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.96 1g0x n GLU 138 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1g0x n HIS 141 N 0.00 1.40 -2.15 -0.32 8.25 -1.26 -4.91 115.22 116.24 1g0x n HIS 141 Ca 0.00 0.51 -0.41 0.00 -0.26 0.00 0.00 57.72 57.56 1g0x n HIS 141 Cb 0.00 -2.26 -0.02 0.00 1.12 0.00 0.00 29.99 28.83 1g0x n HIS 141 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1g0x s PRO 142 N -2.26 4.38 -0.46 -0.41 0.04 -1.26 -4.99 135.00 130.04 1g0x s PRO 142 Ca 0.66 2.18 -0.20 0.00 0.04 0.00 0.00 61.00 63.67 1g0x s PRO 142 Cb -0.51 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 30.98 1g0x s PRO 142 CO 0.55 -0.17 0.63 -0.65 0.04 0.00 0.00 177.00 177.40 1g0x s GLN 143 N -1.60 3.22 -0.18 4.56 1.11 -0.85 -4.89 119.66 121.03 1g0x s GLN 143 Ca 0.49 -0.54 -0.06 0.00 0.01 0.00 0.00 55.36 55.26 1g0x s GLN 143 Cb -0.39 -4.00 -0.04 0.00 -1.01 0.00 0.00 33.01 27.58 1g0x s GLN 143 CO 0.51 -1.07 0.04 0.00 0.01 0.00 0.00 175.29 174.77 1g0x s LEU 145 N 0.42 2.09 0.49 0.00 1.02 0.18 -4.95 118.68 117.92 1g0x s LEU 145 Ca 0.01 -0.40 -0.20 0.00 0.02 0.00 0.00 54.13 53.56 1g0x s LEU 145 Cb -0.13 -0.92 -0.08 0.00 0.02 0.00 0.00 46.19 45.08 1g0x s LEU 145 CO 0.01 0.19 1.04 0.20 0.02 0.00 0.00 176.35 177.81 1g0x s ASN 146 N -0.72 6.32 0.69 2.29 -0.87 -1.26 -1.29 114.94 120.09 1g0x s ASN 146 Ca 0.07 1.95 -0.15 0.00 -1.57 0.00 0.00 52.86 53.15 1g0x s ASN 146 Cb -0.08 -2.56 0.02 0.00 -0.02 0.00 0.00 41.25 38.61 1g0x s ASN 146 CO 0.00 -0.80 1.16 -0.94 -2.57 0.00 0.00 177.10 173.96 1g0x s SER 147 N -1.95 4.67 0.37 -1.22 1.04 -0.19 -4.90 113.70 111.52 1g0x s SER 147 Ca 0.67 2.21 -0.23 0.00 0.48 0.00 0.00 55.95 59.09 1g0x s SER 147 Cb -0.17 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.27 1g0x s SER 147 CO 0.21 -1.93 0.92 -1.10 0.98 0.00 0.00 173.24 172.32 1g0x s GLN 148 N -3.92 4.36 0.27 4.02 -1.52 -1.26 -4.96 119.66 116.64 1g0x s GLN 148 Ca 0.71 1.16 -0.00 0.00 -1.95 0.00 0.00 55.36 55.28 1g0x s GLN 148 Cb -0.26 -2.48 0.57 0.00 -0.22 0.00 0.00 33.01 30.63 1g0x s GLN 148 CO 0.42 0.13 1.73 -1.35 -0.25 0.00 0.00 175.29 175.97 1g0x h PRO 149 N 2.51 0.49 0.00 2.91 0.11 -1.96 0.16 132.00 136.23 1g0x h PRO 149 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1g0x h PRO 149 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1g0x h PRO 149 CO 0.63 0.33 0.00 -2.39 -0.21 0.00 0.00 178.00 176.36 1g0x n HIS 150 N -4.96 0.00 -1.06 0.65 1.44 -1.26 -3.51 115.22 106.52 1g0x n HIS 150 Ca 0.18 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.96 1g0x n HIS 150 Cb 0.49 -0.38 0.23 0.00 0.12 0.00 0.00 29.99 30.46 1g0x n HIS 150 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1g0x n ALA 151 N -1.38 2.98 -3.22 1.59 0.00 0.57 -5.01 120.51 116.04 1g0x n ALA 151 Ca 0.09 -2.46 -0.15 0.00 0.00 0.00 0.00 53.44 50.91 1g0x n ALA 151 Cb 0.22 -0.65 -0.15 0.00 0.00 0.00 0.00 19.45 18.87 1g0x n ALA 151 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1g0x s ARG 152 N -2.89 0.25 0.17 0.00 1.70 -1.19 -0.54 118.95 116.46 1g0x s ARG 152 Ca 0.40 -0.02 0.03 0.00 -0.47 0.00 0.00 55.73 55.67 1g0x s ARG 152 Cb 0.34 -0.33 0.03 0.00 -0.57 0.00 0.00 34.95 34.42 1g0x s ARG 152 CO 0.07 -0.03 0.23 0.41 -1.08 0.00 0.00 175.30 174.90 1g0x n GLY 153 N 3.51 1.97 0.22 3.88 0.00 0.27 -4.98 105.19 110.05 1g0x n GLY 153 Ca -0.19 -2.16 0.05 0.00 0.00 0.00 0.00 46.02 43.72 1g0x n GLY 153 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1g0x h SER 154 N 0.03 0.02 -0.16 1.61 4.64 -2.01 -3.27 113.55 114.41 1g0x h SER 154 Ca -0.08 -0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.03 1g0x h SER 154 Cb 0.37 -0.01 -0.38 0.00 -0.31 0.00 0.00 62.40 62.07 1g0x h SER 154 CO 0.12 0.23 -1.04 -1.54 -0.87 0.00 0.00 176.83 173.72 1g0x n SER 155 N -4.28 1.13 -3.55 4.97 3.41 -1.26 -1.64 113.62 112.40 1g0x n SER 155 Ca -0.02 -2.01 -0.14 0.00 -0.26 0.00 0.00 58.87 56.44 1g0x n SER 155 Cb 0.27 -0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 1g0x n SER 155 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1g0x s ARG 156 N -1.45 0.83 -0.02 4.33 3.52 -1.24 -1.76 118.95 123.16 1g0x s ARG 156 Ca 0.30 0.19 -0.09 0.00 -0.13 0.00 0.00 55.73 56.00 1g0x s ARG 156 Cb 0.36 0.39 0.01 0.00 -1.56 0.00 0.00 34.95 34.15 1g0x s ARG 156 CO -0.12 -0.26 0.20 0.00 -0.81 0.00 0.00 175.30 174.31 1g0x s ALA 157 N -1.21 -0.49 0.08 6.12 0.00 -0.72 0.95 121.76 126.48 1g0x s ALA 157 Ca -0.06 0.15 0.10 0.00 0.00 0.00 0.00 51.96 52.14 1g0x s ALA 157 Cb -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1g0x s ALA 157 CO 0.05 -0.20 -0.25 0.42 0.00 0.00 0.00 175.76 175.78 1g0x s ILE 158 N -1.06 2.31 0.03 0.00 -1.09 0.30 -0.92 121.20 120.77 1g0x s ILE 158 Ca -0.11 -1.49 0.02 0.00 -2.23 0.00 0.00 60.65 56.83 1g0x s ILE 158 Cb -0.06 -1.96 -0.02 0.00 -1.58 0.00 0.00 42.46 38.84 1g0x s ILE 158 CO 0.02 0.26 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.56 1g0x s PHE 159 N -0.93 0.55 -0.15 3.97 0.40 0.09 -4.65 117.98 117.26 1g0x s PHE 159 Ca 0.13 -0.43 -0.00 0.00 -0.60 0.00 0.00 56.93 56.03 1g0x s PHE 159 Cb -0.10 -0.34 -0.01 0.00 0.51 0.00 0.00 43.02 43.09 1g0x s PHE 159 CO 0.04 -0.09 -0.14 0.45 0.70 0.00 0.00 175.22 176.19 1g0x s SER 160 N -1.29 3.80 0.10 1.36 0.15 -1.26 -0.03 113.70 116.53 1g0x s SER 160 Ca -0.09 -0.43 0.08 0.00 0.70 0.00 0.00 55.95 56.22 1g0x s SER 160 Cb -0.08 -1.59 -0.03 0.00 -1.71 0.00 0.00 66.02 62.60 1g0x s SER 160 CO 0.00 0.09 -0.21 0.68 1.20 0.00 0.00 173.24 175.01 1g0x s VAL 161 N 0.77 1.70 0.00 4.45 -7.23 -0.71 -5.00 120.40 114.38 1g0x s VAL 161 Ca -0.05 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1g0x s VAL 161 Cb -0.15 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.24 1g0x s VAL 161 CO 0.01 -0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 1g0x n GLY 162 N 1.09 1.70 3.76 2.32 0.00 -1.26 -1.30 105.19 111.50 1g0x n GLY 162 Ca -0.20 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 1g0x n GLY 162 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1g0x s PRO 163 N -1.35 3.36 0.18 1.61 0.02 -1.26 -5.01 135.00 132.55 1g0x s PRO 163 Ca 0.00 2.12 0.04 0.00 0.02 0.00 0.00 61.00 63.18 1g0x s PRO 163 Cb 0.00 -2.33 -0.04 0.00 0.02 0.00 0.00 34.50 32.15 1g0x s PRO 163 CO 0.00 -0.98 0.21 0.14 -0.33 0.00 0.00 177.00 176.05 1g0x s VAL 164 N -1.36 4.84 -0.04 3.83 -7.23 -0.40 -4.91 120.40 115.14 1g0x s VAL 164 Ca 0.68 -0.97 -0.08 0.00 -1.81 0.00 0.00 61.98 59.80 1g0x s VAL 164 Cb -0.37 -3.51 0.01 0.00 0.56 0.00 0.00 36.38 33.07 1g0x s VAL 164 CO 0.45 -0.15 0.19 -0.94 -0.31 0.00 0.00 175.10 174.34 1g0x s SER 165 N -3.31 -0.11 0.41 4.85 1.04 -1.26 0.85 113.70 116.17 1g0x s SER 165 Ca 0.33 0.11 0.10 0.00 0.48 0.00 0.00 55.95 56.97 1g0x s SER 165 Cb -0.10 0.32 0.92 0.00 0.10 0.00 0.00 66.02 67.26 1g0x s SER 165 CO 0.26 -0.25 2.00 -0.65 0.98 0.00 0.00 173.24 175.58 1g0x h PRO 166 N 4.90 0.51 0.00 4.02 0.11 -1.87 -2.44 132.00 137.23 1g0x h PRO 166 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1g0x h PRO 166 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1g0x h PRO 166 CO 0.39 0.33 0.00 -1.13 -0.21 0.00 0.00 178.00 177.39 1g0x n SER 167 N -4.47 0.41 -4.59 -2.05 3.41 -1.26 -4.72 113.62 100.34 1g0x n SER 167 Ca 0.08 0.60 -0.31 0.00 -0.26 0.00 0.00 58.87 58.98 1g0x n SER 167 Cb 0.23 -0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 63.39 1g0x n SER 167 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1g0x s ARG 168 N -3.19 2.38 0.16 4.33 0.52 -0.92 -5.11 118.95 117.12 1g0x s ARG 168 Ca 0.05 -0.85 -0.25 0.00 -0.52 0.00 0.00 55.73 54.17 1g0x s ARG 168 Cb 0.09 -2.42 -0.08 0.00 0.52 0.00 0.00 34.95 33.06 1g0x s ARG 168 CO 0.34 0.56 0.76 0.50 0.02 0.00 0.00 175.30 177.48 1g0x s ARG 169 N -1.79 4.52 -0.59 3.54 3.52 -1.26 -4.78 118.95 122.11 1g0x s ARG 169 Ca 0.19 1.11 0.05 0.00 -0.13 0.00 0.00 55.73 56.96 1g0x s ARG 169 Cb -0.11 -3.23 0.20 0.00 -1.56 0.00 0.00 34.95 30.24 1g0x s ARG 169 CO 0.11 0.56 0.52 0.91 -0.81 0.00 0.00 175.30 176.59 1g0x n TRP 170 N 1.54 2.01 -4.03 5.12 7.02 -1.26 -5.04 117.44 122.79 1g0x n TRP 170 Ca -0.06 -3.97 -0.35 0.00 -1.02 0.00 0.00 57.50 52.11 1g0x n TRP 170 Cb 0.49 -0.38 -0.10 0.00 -2.42 0.00 0.00 31.31 28.90 1g0x n TRP 170 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1g0x s TRP 171 N -1.32 3.25 0.07 -5.99 0.52 -1.26 -1.38 118.94 112.83 1g0x s TRP 171 Ca 0.31 0.08 0.01 0.00 0.02 0.00 0.00 56.10 56.53 1g0x s TRP 171 Cb 0.04 -2.06 -0.03 0.00 -1.15 0.00 0.00 33.47 30.27 1g0x s TRP 171 CO -0.14 0.19 -0.06 0.71 0.02 0.00 0.00 176.95 177.67 1g0x s TYR 172 N 0.26 0.72 -0.07 -1.98 1.51 0.22 -0.82 117.35 117.19 1g0x s TYR 172 Ca 0.04 -0.75 -0.12 0.00 -1.01 0.00 0.00 57.07 55.22 1g0x s TYR 172 Cb -0.12 -0.44 0.03 0.00 -0.11 0.00 0.00 41.96 41.32 1g0x s TYR 172 CO 0.00 -0.16 0.30 1.03 -1.11 0.00 0.00 175.55 175.62 1g0x s ARG 173 N -2.85 0.49 0.24 -0.62 0.52 -0.87 -0.02 118.95 115.84 1g0x s ARG 173 Ca 0.01 0.15 0.09 0.00 -0.52 0.00 0.00 55.73 55.46 1g0x s ARG 173 Cb -0.01 0.22 -0.05 0.00 0.52 0.00 0.00 34.95 35.63 1g0x s ARG 173 CO -0.03 -0.10 -0.15 0.00 0.02 0.00 0.00 175.30 175.04 1g0x s TYR 175 N -2.81 0.68 0.15 0.00 1.51 0.32 -2.08 117.35 115.12 1g0x s TYR 175 Ca 0.26 -0.65 0.09 0.00 -1.01 0.00 0.00 57.07 55.75 1g0x s TYR 175 Cb -0.02 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.38 1g0x s TYR 175 CO 0.10 -0.13 -0.12 0.00 -1.11 0.00 0.00 175.55 174.30 1g0x s ALA 176 N -2.17 2.89 0.20 3.71 0.00 -1.26 -0.63 121.76 124.49 1g0x s ALA 176 Ca -0.03 -1.40 -0.23 0.00 0.00 0.00 0.00 51.96 50.30 1g0x s ALA 176 Cb -0.05 -0.75 0.05 0.00 0.00 0.00 0.00 23.12 22.38 1g0x s ALA 176 CO -0.02 0.53 0.68 1.52 0.00 0.00 0.00 175.76 178.48 1g0x s TYR 177 N -1.47 -0.37 -0.32 0.00 -0.85 0.33 -1.53 117.35 113.14 1g0x s TYR 177 Ca 0.23 0.05 -0.11 0.00 -0.52 0.00 0.00 57.07 56.72 1g0x s TYR 177 Cb -0.10 0.62 -0.02 0.00 0.38 0.00 0.00 41.96 42.85 1g0x s TYR 177 CO 0.14 -0.99 0.19 0.34 -1.52 0.00 0.00 175.55 173.70 1g0x s ASP 178 N -2.81 5.78 0.54 -0.18 -1.08 -1.26 -1.39 116.67 116.27 1g0x s ASP 178 Ca 0.06 -0.42 0.21 0.00 -0.52 0.00 0.00 52.55 51.89 1g0x s ASP 178 Cb -0.03 -2.06 1.16 0.00 -1.46 0.00 0.00 42.92 40.53 1g0x s ASP 178 CO -0.04 -0.19 1.61 0.77 0.52 0.00 0.00 175.17 177.85 1g0x h SER 179 N 8.40 0.00 1.29 -0.34 4.64 -1.95 0.29 113.55 125.89 1g0x h SER 179 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1g0x h SER 179 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1g0x h SER 179 CO 0.61 0.00 0.00 0.78 -0.87 0.00 0.00 176.83 177.35 1g0x h ASN 180 N 0.00 0.00 -2.02 4.97 2.35 -2.00 -3.26 115.58 115.61 1g0x h ASN 180 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 1g0x h ASN 180 Cb 0.74 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.71 1g0x h ASN 180 CO 0.00 0.00 -1.12 -1.20 -1.65 0.00 0.00 177.43 173.46 1g0x n SER 181 N -2.77 0.94 0.08 5.81 7.64 0.10 -4.99 113.62 120.44 1g0x n SER 181 Ca 0.03 -2.97 0.04 0.00 1.01 0.00 0.00 58.87 56.98 1g0x n SER 181 Cb 0.37 -0.62 0.24 0.00 -1.01 0.00 0.00 64.21 63.18 1g0x n SER 181 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1g0x n PRO 182 N 0.62 0.06 -0.25 1.43 -0.04 -1.17 -1.70 135.00 133.94 1g0x n PRO 182 Ca 0.24 0.49 0.09 0.00 -0.04 0.00 0.00 63.50 64.28 1g0x n PRO 182 Cb 0.59 -1.84 0.23 0.00 -0.04 0.00 0.00 33.50 32.45 1g0x n PRO 182 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1g0x n TYR 183 N -1.77 0.67 -4.08 0.54 0.53 -1.26 -4.83 117.16 106.96 1g0x n TYR 183 Ca -0.01 -0.46 -0.32 0.00 -1.02 0.00 0.00 57.90 56.09 1g0x n TYR 183 Cb 0.16 -0.01 -0.15 0.00 -1.03 0.00 0.00 39.34 38.31 1g0x n TYR 183 CO 0.00 0.00 0.00 -1.21 -1.02 0.00 0.00 176.86 174.63 1g0x s GLU 184 N -1.04 2.46 0.35 -0.72 2.02 -0.69 -1.70 118.70 119.38 1g0x s GLU 184 Ca 0.35 -1.20 0.08 0.00 0.02 0.00 0.00 54.97 54.22 1g0x s GLU 184 Cb 0.19 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1g0x s GLU 184 CO 0.25 -0.47 0.20 -1.58 0.02 0.00 0.00 175.26 173.68 1g0x s TRP 185 N 1.16 2.75 1.06 1.61 0.51 -0.62 -4.50 118.94 120.92 1g0x s TRP 185 Ca -0.05 -0.38 -0.15 0.00 -2.12 0.00 0.00 56.10 53.40 1g0x s TRP 185 Cb -0.18 -1.74 0.22 0.00 -0.81 0.00 0.00 33.47 30.96 1g0x s TRP 185 CO -0.07 0.26 1.11 -1.54 -0.51 0.00 0.00 176.95 176.19 1g0x s SER 186 N -3.91 2.16 0.63 2.95 1.04 -0.58 -0.90 113.70 115.09 1g0x s SER 186 Ca 0.39 0.95 -0.19 0.00 0.48 0.00 0.00 55.95 57.59 1g0x s SER 186 Cb -0.03 -1.46 -0.02 0.00 0.10 0.00 0.00 66.02 64.61 1g0x s SER 186 CO 0.24 -3.39 1.29 -0.76 0.98 0.00 0.00 173.24 171.60 1g0x s LEU 187 N -6.56 3.62 0.67 2.42 1.43 -0.29 -2.17 118.68 117.80 1g0x s LEU 187 Ca 0.67 2.61 -0.14 0.00 -1.03 0.00 0.00 54.13 56.24 1g0x s LEU 187 Cb -0.15 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.49 1g0x s LEU 187 CO 0.57 -1.90 1.09 -2.16 0.23 0.00 0.00 176.35 174.18 1g0x s PRO 188 N -3.32 2.81 0.78 1.29 0.04 -1.26 -4.32 135.00 131.02 1g0x s PRO 188 Ca 0.81 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 1g0x s PRO 188 Cb -0.37 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.27 1g0x s PRO 188 CO 0.39 -1.22 1.10 -1.54 0.04 0.00 0.00 177.00 175.78 1g0x s SER 189 N -2.95 4.70 0.71 6.66 1.04 -0.88 -4.69 113.70 118.28 1g0x s SER 189 Ca 0.64 1.20 -0.16 0.00 0.48 0.00 0.00 55.95 58.11 1g0x s SER 189 Cb -0.18 -1.92 0.02 0.00 0.10 0.00 0.00 66.02 64.04 1g0x s SER 189 CO 0.45 -1.82 1.24 -1.81 0.98 0.00 0.00 173.24 172.28 1g0x s ASP 190 N -4.09 4.30 0.19 7.02 1.01 -1.26 -4.65 116.67 119.18 1g0x s ASP 190 Ca 0.60 2.46 -0.32 0.00 0.71 0.00 0.00 52.55 56.01 1g0x s ASP 190 Cb -0.13 -2.60 -0.11 0.00 1.01 0.00 0.00 42.92 41.09 1g0x s ASP 190 CO 0.53 -2.20 1.63 -0.22 0.21 0.00 0.00 175.17 175.12 1g0x s LEU 191 N -4.89 4.37 -0.23 1.23 2.96 -1.26 -4.74 118.68 116.11 1g0x s LEU 191 Ca 0.77 2.75 -0.07 0.00 -0.22 0.00 0.00 54.13 57.36 1g0x s LEU 191 Cb -0.32 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.74 1g0x s LEU 191 CO 0.43 -0.89 0.05 -0.22 -1.32 0.00 0.00 176.35 174.40 1g0x s LEU 192 N 1.04 3.43 -0.25 -0.68 2.96 0.97 -4.95 118.68 121.19 1g0x s LEU 192 Ca 0.72 -0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 54.43 1g0x s LEU 192 Cb -0.47 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.35 1g0x s LEU 192 CO 0.33 0.02 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.62 1g0x s GLU 193 N 1.31 2.83 0.14 1.98 2.12 -1.26 -0.61 118.70 125.20 1g0x s GLU 193 Ca 0.05 -0.98 -0.30 0.00 0.36 0.00 0.00 54.97 54.09 1g0x s GLU 193 Cb -0.15 -3.01 -0.07 0.00 0.26 0.00 0.00 34.13 31.17 1g0x s GLU 193 CO 0.03 -0.41 1.02 -0.51 -0.54 0.00 0.00 175.26 174.85 1g0x s LEU 194 N 1.33 4.50 -0.39 2.70 1.43 -0.48 -4.90 118.68 122.87 1g0x s LEU 194 Ca 0.00 1.92 -0.05 0.00 -1.03 0.00 0.00 54.13 54.97 1g0x s LEU 194 Cb -0.17 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.54 1g0x s LEU 194 CO -0.04 -0.13 0.18 -0.22 0.23 0.00 0.00 176.35 176.37 1g0x s LEU 195 N -0.14 4.89 -0.43 1.79 0.20 -0.52 -4.56 118.68 119.91 1g0x s LEU 195 Ca 0.48 -1.63 -0.21 0.00 0.69 0.00 0.00 54.13 53.46 1g0x s LEU 195 Cb -0.26 -1.87 0.02 0.00 -0.43 0.00 0.00 46.19 43.65 1g0x s LEU 195 CO 0.32 -0.47 0.67 -0.69 -0.29 0.00 0.00 176.35 175.89 1g0x s VAL 196 N 1.29 4.80 0.49 1.68 1.01 -1.26 -1.81 120.40 126.59 1g0x s VAL 196 Ca 0.03 0.26 -0.22 0.00 0.00 0.00 0.00 61.98 62.04 1g0x s VAL 196 Cb -0.22 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 31.88 1g0x s VAL 196 CO -0.01 -0.58 1.23 -0.76 0.00 0.00 0.00 175.10 174.98 1g0x s LEU 197 N 2.91 3.95 0.00 3.92 1.02 -0.31 -4.51 118.68 125.65 1g0x s LEU 197 Ca 0.25 2.46 0.00 0.00 0.02 0.00 0.00 54.13 56.85 1g0x s LEU 197 Cb -0.14 -4.26 0.00 0.00 0.02 0.00 0.00 46.19 41.81 1g0x s LEU 197 CO 0.19 -1.15 0.00 0.61 0.02 0.00 0.00 176.35 176.02