#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggi s VAL 2 N 0.00 5.40 -0.06 5.09 1.01 -1.26 -4.73 120.40 125.85 1ggi s VAL 2 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1ggi s VAL 2 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1ggi s VAL 2 CO 0.00 0.24 -0.18 -1.58 0.00 0.00 0.00 175.10 173.58 1ggi s GLN 3 N -2.21 2.58 -0.03 2.72 -0.44 0.53 -4.97 119.66 117.85 1ggi s GLN 3 Ca 0.31 -0.76 0.04 0.00 -2.50 0.00 0.00 55.36 52.44 1ggi s GLN 3 Cb -0.13 -2.33 -0.00 0.00 -1.64 0.00 0.00 33.01 28.91 1ggi s GLN 3 CO 0.23 0.51 -0.13 -0.51 0.50 0.00 0.00 175.29 175.90 1ggi s LEU 4 N -0.46 1.90 -0.17 3.68 2.01 -1.26 -1.22 118.68 123.16 1ggi s LEU 4 Ca 0.06 -0.25 -0.10 0.00 0.01 0.00 0.00 54.13 53.84 1ggi s LEU 4 Cb -0.12 -0.72 0.06 0.00 0.01 0.00 0.00 46.19 45.42 1ggi s LEU 4 CO 0.02 0.12 0.42 -0.75 1.01 0.00 0.00 176.35 177.17 1ggi s LYS 5 N -0.02 0.42 0.27 1.70 2.20 0.27 -4.25 119.74 120.32 1ggi s LYS 5 Ca -0.01 0.77 -0.01 0.00 -0.36 0.00 0.00 55.97 56.36 1ggi s LYS 5 Cb -0.08 0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.22 1ggi s LYS 5 CO 0.01 -0.14 0.48 -1.21 -0.36 0.00 0.00 175.35 174.12 1ggi s GLU 6 N 1.22 3.54 -0.04 4.03 8.01 -1.26 -0.21 118.70 133.98 1ggi s GLU 6 Ca -0.08 -0.25 -0.02 0.00 0.01 0.00 0.00 54.97 54.63 1ggi s GLU 6 Cb -0.07 -2.74 0.03 0.00 -4.31 0.00 0.00 34.13 27.04 1ggi s GLU 6 CO -0.11 0.28 0.08 -1.12 0.01 0.00 0.00 175.26 174.40 1ggi s SER 7 N -3.42 0.79 0.23 -0.19 0.01 0.28 -4.89 113.70 106.52 1ggi s SER 7 Ca 0.40 0.13 0.11 0.00 1.31 0.00 0.00 55.95 57.90 1ggi s SER 7 Cb -0.10 -0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.04 1ggi s SER 7 CO 0.31 -0.22 -0.20 -0.83 0.41 0.00 0.00 173.24 172.72 1ggi s GLY 8 N 1.92 1.70 0.00 3.44 0.00 -1.26 -1.77 107.32 111.34 1ggi s GLY 8 Ca 0.01 -1.74 0.15 0.00 0.00 0.00 0.00 44.72 43.14 1ggi s GLY 8 CO -0.04 -1.81 1.45 -1.55 0.00 0.00 0.00 173.10 171.15 1ggi n PRO 9 N -0.26 0.10 0.00 2.90 -0.04 -1.26 -4.89 135.00 131.55 1ggi n PRO 9 Ca -0.08 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1ggi n PRO 9 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1ggi n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ggi n GLY 10 N 0.01 1.41 3.24 0.55 0.00 -1.26 -4.77 105.19 104.35 1ggi n GLY 10 Ca 0.05 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1ggi n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ggi s ILE 11 N 0.00 1.47 -0.06 -0.61 1.01 -1.26 -3.32 121.20 118.42 1ggi s ILE 11 Ca 0.00 -1.41 -0.07 0.00 0.00 0.00 0.00 60.65 59.17 1ggi s ILE 11 Cb 0.00 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 41.14 1ggi s ILE 11 CO 0.00 -0.10 0.20 -0.76 0.00 0.00 0.00 174.94 174.28 1ggi s LEU 12 N -1.76 1.26 0.36 2.97 2.01 -0.87 -4.96 118.68 117.70 1ggi s LEU 12 Ca 0.03 0.30 -0.26 0.00 0.01 0.00 0.00 54.13 54.21 1ggi s LEU 12 Cb -0.10 0.71 -0.09 0.00 0.01 0.00 0.00 46.19 46.72 1ggi s LEU 12 CO 0.03 -0.13 1.15 -1.58 1.01 0.00 0.00 176.35 176.83 1ggi s GLN 13 N -0.17 4.25 0.31 1.70 0.74 -1.26 -1.98 119.66 123.24 1ggi s GLN 13 Ca -0.03 1.82 -0.28 0.00 0.05 0.00 0.00 55.36 56.92 1ggi s GLN 13 Cb -0.02 -2.83 -0.13 0.00 1.10 0.00 0.00 33.01 31.13 1ggi s GLN 13 CO 0.01 -0.15 1.18 -0.35 -0.55 0.00 0.00 175.29 175.43 1ggi n PRO 14 N 0.41 1.79 -2.13 1.67 -0.04 -1.26 -1.99 135.00 133.45 1ggi n PRO 14 Ca 0.03 0.63 -0.12 0.00 -0.04 0.00 0.00 63.50 63.99 1ggi n PRO 14 Cb 0.46 -2.13 -0.01 0.00 -0.04 0.00 0.00 33.50 31.78 1ggi n PRO 14 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ggi n SER 15 N 1.07 -3.96 -0.88 3.54 3.41 0.22 -4.93 113.62 112.09 1ggi n SER 15 Ca 0.07 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1ggi n SER 15 Cb 0.34 -3.09 0.00 0.00 -0.26 0.00 0.00 64.21 61.20 1ggi n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ggi n GLN 16 N -2.23 3.56 -3.75 4.33 6.02 -0.84 -4.63 117.38 119.84 1ggi n GLN 16 Ca -0.14 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.68 1ggi n GLN 16 Cb 0.59 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.68 1ggi n GLN 16 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1ggi s THR 17 N 1.00 -0.05 -0.25 5.09 -4.23 -1.26 -0.62 115.64 115.32 1ggi s THR 17 Ca 0.00 0.27 -0.27 0.00 -1.18 0.00 0.00 61.69 60.51 1ggi s THR 17 Cb 0.00 -0.13 0.01 0.00 1.34 0.00 0.00 72.50 73.72 1ggi s THR 17 CO 0.00 0.13 0.96 -0.22 -0.54 0.00 0.00 174.62 174.94 1ggi s LEU 18 N 1.43 4.08 -0.07 4.79 2.96 0.88 -4.94 118.68 127.81 1ggi s LEU 18 Ca -0.05 1.19 -0.14 0.00 -0.22 0.00 0.00 54.13 54.92 1ggi s LEU 18 Cb -0.13 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 1ggi s LEU 18 CO -0.03 -0.64 0.34 -0.55 -1.32 0.00 0.00 176.35 174.16 1ggi s SER 19 N 1.31 6.64 0.01 3.68 0.15 -1.26 -1.13 113.70 123.11 1ggi s SER 19 Ca 0.40 0.76 0.02 0.00 0.70 0.00 0.00 55.95 57.83 1ggi s SER 19 Cb -0.15 -2.21 -0.01 0.00 -1.71 0.00 0.00 66.02 61.94 1ggi s SER 19 CO 0.08 0.25 -0.06 -0.76 1.20 0.00 0.00 173.24 173.95 1ggi s LEU 20 N -0.54 2.08 -0.05 3.45 1.43 -0.70 -4.07 118.68 120.30 1ggi s LEU 20 Ca 0.21 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1ggi s LEU 20 Cb -0.15 -0.22 0.01 0.00 0.03 0.00 0.00 46.19 45.86 1ggi s LEU 20 CO 0.09 -0.02 -0.11 -0.89 0.23 0.00 0.00 176.35 175.65 1ggi s THR 21 N -0.50 0.98 -0.28 5.49 2.01 -0.73 -0.56 115.64 122.05 1ggi s THR 21 Ca -0.02 -0.43 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 1ggi s THR 21 Cb -0.04 -0.89 0.03 0.00 0.01 0.00 0.00 72.50 71.61 1ggi s THR 21 CO -0.00 0.31 -0.00 0.00 -0.69 0.00 0.00 174.62 174.24 1ggi s SER 23 N 1.33 6.56 0.25 0.00 0.01 0.70 -1.66 113.70 120.89 1ggi s SER 23 Ca -0.02 0.66 0.01 0.00 1.31 0.00 0.00 55.95 57.91 1ggi s SER 23 Cb -0.18 -2.22 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 1ggi s SER 23 CO -0.01 0.10 0.09 0.72 0.41 0.00 0.00 173.24 174.55 1ggi s PHE 24 N 0.29 1.51 -0.06 2.43 -0.12 -1.04 -0.57 117.98 120.43 1ggi s PHE 24 Ca 0.20 -1.18 -0.22 0.00 -0.05 0.00 0.00 56.93 55.68 1ggi s PHE 24 Cb -0.14 -0.88 0.05 0.00 -0.63 0.00 0.00 43.02 41.42 1ggi s PHE 24 CO 0.07 -0.34 0.49 -1.54 -0.05 0.00 0.00 175.22 173.84 1ggi s SER 25 N -3.30 -0.43 0.00 1.98 1.04 -0.36 -4.88 113.70 107.75 1ggi s SER 25 Ca 0.37 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1ggi s SER 25 Cb 0.08 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1ggi s SER 25 CO 0.13 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1ggi n GLY 26 N 1.36 1.71 3.64 7.32 0.00 -1.26 -0.35 105.19 117.61 1ggi n GLY 26 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 1ggi n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ggi s PHE 27 N -2.12 -0.73 0.35 1.61 -0.71 -1.26 -4.97 117.98 110.15 1ggi s PHE 27 Ca 0.00 1.51 -0.24 0.00 -1.04 0.00 0.00 56.93 57.16 1ggi s PHE 27 Cb 0.00 0.43 -0.10 0.00 -1.21 0.00 0.00 43.02 42.14 1ggi s PHE 27 CO 0.00 -0.36 0.94 -1.54 -1.34 0.00 0.00 175.22 172.92 1ggi s SER 28 N 1.18 7.22 0.00 1.98 1.04 -1.26 -4.93 113.70 118.93 1ggi s SER 28 Ca -0.07 1.79 0.11 0.00 0.48 0.00 0.00 55.95 58.26 1ggi s SER 28 Cb -0.04 -2.56 0.66 0.00 0.10 0.00 0.00 66.02 64.17 1ggi s SER 28 CO -0.14 -0.15 1.33 -0.11 0.98 0.00 0.00 173.24 175.15 1ggi n LEU 29 N 0.22 0.00 0.04 2.42 0.00 -1.26 -2.78 117.00 115.64 1ggi n LEU 29 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 56.01 56.16 1ggi n LEU 29 Cb 0.51 0.00 0.14 0.00 0.00 0.00 0.00 43.42 44.07 1ggi n LEU 29 CO 0.42 0.00 0.25 -0.24 0.00 0.00 0.00 177.39 177.82 1ggi n SER 30 N -0.70 0.63 -4.70 1.96 2.88 -1.26 -4.22 113.62 108.21 1ggi n SER 30 Ca 0.08 -0.08 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1ggi n SER 30 Cb 0.04 0.40 -0.03 0.00 -0.75 0.00 0.00 64.21 63.87 1ggi n SER 30 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1ggi s THR 31 N -3.14 3.01 0.12 2.46 2.01 -1.12 -4.91 115.64 114.08 1ggi s THR 31 Ca 0.06 0.61 -0.31 0.00 0.31 0.00 0.00 61.69 62.36 1ggi s THR 31 Cb 0.15 -3.39 -0.10 0.00 0.01 0.00 0.00 72.50 69.16 1ggi s THR 31 CO 0.74 0.02 1.84 -0.47 -0.69 0.00 0.00 174.62 176.07 1ggi s TYR 32 N 1.85 2.09 0.00 4.92 6.14 -1.26 -0.49 117.35 130.60 1ggi s TYR 32 Ca 0.70 -0.06 0.00 0.00 0.64 0.00 0.00 57.07 58.35 1ggi s TYR 32 Cb -0.40 -4.19 0.00 0.00 0.42 0.00 0.00 41.96 37.79 1ggi s TYR 32 CO 0.31 -4.94 0.00 0.41 0.64 0.00 0.00 175.55 171.97 1ggi n GLY 33 N 4.26 0.77 3.86 8.97 0.00 -1.26 -5.08 105.19 116.70 1ggi n GLY 33 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1ggi n GLY 33 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ggi s MET 34 N -0.72 3.87 0.00 1.61 -1.94 0.36 -4.94 119.30 117.54 1ggi s MET 34 Ca 0.00 0.74 0.00 0.00 -1.71 0.00 0.00 55.69 54.72 1ggi s MET 34 Cb 0.00 -2.24 0.00 0.00 2.01 0.00 0.00 34.83 34.60 1ggi s MET 34 CO 0.00 -0.18 0.00 0.41 -0.01 0.00 0.00 175.02 175.24 1ggi n GLY 35 N -1.48 0.71 2.99 -0.03 0.00 -1.26 -0.54 105.19 105.57 1ggi n GLY 35 Ca 0.05 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 1ggi n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggi s VAL 35 N -2.00 0.76 0.15 1.61 1.01 0.10 -1.43 120.40 120.61 1ggi s VAL 35 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1ggi s VAL 35 Cb 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1ggi s VAL 35 CO 0.00 0.24 0.27 -0.44 0.00 0.00 0.00 175.10 175.17 1ggi s SER 35 N 0.25 6.27 -0.15 3.32 0.01 0.03 -1.18 113.70 122.24 1ggi s SER 35 Ca -0.04 0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.38 1ggi s SER 35 Cb -0.09 -1.87 0.02 0.00 0.21 0.00 0.00 66.02 64.29 1ggi s SER 35 CO 0.01 0.05 -0.17 0.26 0.41 0.00 0.00 173.24 173.80 1ggi s TRP 36 N -1.74 2.39 0.06 2.43 0.52 -0.02 -1.46 118.94 121.12 1ggi s TRP 36 Ca 0.34 -1.32 0.07 0.00 0.02 0.00 0.00 56.10 55.21 1ggi s TRP 36 Cb -0.11 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.48 1ggi s TRP 36 CO 0.28 -0.68 -0.16 0.42 0.02 0.00 0.00 176.95 176.83 1ggi s ILE 37 N 1.27 2.93 -0.13 2.03 -1.09 -0.99 -0.77 121.20 124.45 1ggi s ILE 37 Ca 0.02 -1.24 0.01 0.00 -2.23 0.00 0.00 60.65 57.21 1ggi s ILE 37 Cb -0.14 -2.28 0.02 0.00 -1.58 0.00 0.00 42.46 38.48 1ggi s ILE 37 CO -0.09 0.26 -0.14 -0.60 -1.23 0.00 0.00 174.94 173.14 1ggi s ARG 38 N -1.69 2.16 -0.19 2.79 3.52 0.02 -0.89 118.95 124.68 1ggi s ARG 38 Ca 0.16 -0.52 -0.01 0.00 -0.13 0.00 0.00 55.73 55.23 1ggi s ARG 38 Cb -0.11 -1.94 0.00 0.00 -1.56 0.00 0.00 34.95 31.34 1ggi s ARG 38 CO 0.07 -0.17 -0.12 -1.14 -0.81 0.00 0.00 175.30 173.14 1ggi s GLN 39 N 1.31 3.23 0.71 5.12 0.74 0.66 -1.47 119.66 129.96 1ggi s GLN 39 Ca 0.00 -0.72 -0.11 0.00 0.05 0.00 0.00 55.36 54.59 1ggi s GLN 39 Cb -0.14 -2.77 0.17 0.00 1.10 0.00 0.00 33.01 31.37 1ggi s GLN 39 CO -0.07 -0.12 0.38 -2.30 -0.55 0.00 0.00 175.29 172.63 1ggi n PRO 40 N 4.49 -2.28 -3.03 1.67 -0.02 -1.26 0.15 135.00 134.72 1ggi n PRO 40 Ca -0.19 -0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 60.24 1ggi n PRO 40 Cb 0.51 -0.97 -0.06 0.00 -0.02 0.00 0.00 33.50 32.96 1ggi n PRO 40 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ggi s SER 41 N -2.23 6.62 -1.39 2.55 0.15 -1.26 -4.02 113.70 114.12 1ggi s SER 41 Ca 0.29 0.68 -0.01 0.00 0.70 0.00 0.00 55.95 57.61 1ggi s SER 41 Cb -0.05 -2.37 -0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1ggi s SER 41 CO 0.24 -0.48 0.45 0.61 1.20 0.00 0.00 173.24 175.26 1ggi n GLY 42 N 4.17 -0.24 3.29 9.45 0.00 -1.26 -4.97 105.19 115.63 1ggi n GLY 42 Ca 0.01 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 1ggi n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ggi s LYS 43 N -6.48 1.41 0.37 1.61 2.36 -1.26 -5.18 119.74 112.57 1ggi s LYS 43 Ca 0.01 -1.67 -0.06 0.00 -2.55 0.00 0.00 55.97 51.70 1ggi s LYS 43 Cb -0.00 0.32 0.09 0.00 -1.05 0.00 0.00 37.83 37.19 1ggi s LYS 43 CO 0.88 -0.51 0.31 0.41 1.55 0.00 0.00 175.35 177.99 1ggi n GLY 44 N -0.38 -2.72 3.83 5.54 0.00 -1.26 -4.47 105.19 105.72 1ggi n GLY 44 Ca 0.03 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 1ggi n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ggi s LEU 45 N 0.00 4.49 -0.15 0.99 2.01 -1.26 -4.06 118.68 120.70 1ggi s LEU 45 Ca 0.20 1.08 0.00 0.00 0.01 0.00 0.00 54.13 55.43 1ggi s LEU 45 Cb -0.02 -2.75 0.02 0.00 0.01 0.00 0.00 46.19 43.46 1ggi s LEU 45 CO 0.16 0.29 -0.12 -0.70 1.01 0.00 0.00 176.35 176.99 1ggi s GLU 46 N -1.15 2.11 0.24 1.70 2.12 -0.54 -4.99 118.70 118.20 1ggi s GLU 46 Ca 0.27 -0.52 -0.30 0.00 0.36 0.00 0.00 54.97 54.78 1ggi s GLU 46 Cb -0.18 -2.02 -0.09 0.00 0.26 0.00 0.00 34.13 32.10 1ggi s GLU 46 CO 0.16 -0.26 1.14 -0.46 -0.54 0.00 0.00 175.26 175.30 1ggi s TRP 47 N 1.53 3.50 -0.08 5.30 -0.00 -1.26 -0.80 118.94 127.13 1ggi s TRP 47 Ca 0.04 1.59 -0.11 0.00 -0.00 0.00 0.00 56.10 57.63 1ggi s TRP 47 Cb -0.13 -3.35 -0.04 0.00 -0.00 0.00 0.00 33.47 29.95 1ggi s TRP 47 CO -0.10 -0.83 -0.21 1.28 -0.00 0.00 0.00 176.95 177.09 1ggi n LEU 48 N 1.69 1.49 -3.82 5.86 4.77 0.05 -4.72 117.00 122.31 1ggi n LEU 48 Ca 0.01 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.13 1ggi n LEU 48 Cb 0.45 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1ggi n LEU 48 CO 0.55 -0.43 0.11 0.00 -1.33 0.00 0.00 177.39 176.29 1ggi s ALA 49 N -2.64 -0.51 -0.01 -1.18 0.00 -1.02 -0.00 121.76 116.39 1ggi s ALA 49 Ca -0.18 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1ggi s ALA 49 Cb 0.02 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1ggi s ALA 49 CO 0.26 -0.70 -0.01 -1.58 0.00 0.00 0.00 175.76 173.74 1ggi s HIS 50 N -3.90 0.24 -0.00 0.00 2.46 -0.31 -0.84 115.29 112.93 1ggi s HIS 50 Ca 0.11 -0.01 0.06 0.00 0.47 0.00 0.00 55.06 55.69 1ggi s HIS 50 Cb 0.02 -0.25 -0.03 0.00 -0.13 0.00 0.00 32.58 32.19 1ggi s HIS 50 CO -0.04 -0.06 -0.17 -1.50 -2.47 0.00 0.00 174.74 170.51 1ggi s ILE 51 N 0.43 2.87 0.19 0.89 2.07 -0.33 -1.56 121.20 125.76 1ggi s ILE 51 Ca -0.04 -0.98 0.06 0.00 -1.41 0.00 0.00 60.65 58.28 1ggi s ILE 51 Cb -0.07 -2.16 -0.04 0.00 0.13 0.00 0.00 42.46 40.32 1ggi s ILE 51 CO -0.01 0.46 0.08 -0.36 -1.91 0.00 0.00 174.94 173.20 1ggi s PHE 52 N -0.83 2.99 0.34 3.50 0.40 0.87 -0.72 117.98 124.54 1ggi s PHE 52 Ca 0.13 -0.09 0.15 0.00 -0.60 0.00 0.00 56.93 56.52 1ggi s PHE 52 Cb -0.11 -1.42 1.12 0.00 0.51 0.00 0.00 43.02 43.12 1ggi s PHE 52 CO 0.03 0.53 1.63 0.11 0.70 0.00 0.00 175.22 178.21 1ggi h TRP 53 N 2.39 0.77 -0.09 0.36 0.09 -0.99 -0.28 115.95 118.20 1ggi h TRP 53 Ca -0.47 0.04 -0.01 0.00 0.09 0.00 0.00 58.89 58.54 1ggi h TRP 53 Cb 1.21 -0.17 -0.00 0.00 0.08 0.00 0.00 29.16 30.27 1ggi h TRP 53 CO 0.60 -0.30 0.01 -0.40 0.09 0.00 0.00 178.44 178.44 1ggi n ASP 54 N -5.17 1.83 -0.77 0.11 5.75 -1.26 -4.81 116.55 112.24 1ggi n ASP 54 Ca 0.32 -2.14 -0.10 0.00 -0.01 0.00 0.00 54.79 52.86 1ggi n ASP 54 Cb 1.04 -0.53 -0.04 0.00 -1.03 0.00 0.00 41.12 40.56 1ggi n ASP 54 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggi n GLY 55 N 0.11 1.10 3.69 6.12 0.00 -0.12 -5.00 105.19 111.08 1ggi n GLY 55 Ca 0.04 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1ggi n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ggi s ASP 56 N -2.64 5.93 0.22 1.61 -4.77 -1.22 -4.85 116.67 110.95 1ggi s ASP 56 Ca 0.00 0.17 -0.03 0.00 -3.30 0.00 0.00 52.55 49.39 1ggi s ASP 56 Cb 0.00 -2.02 -0.05 0.00 -1.09 0.00 0.00 42.92 39.76 1ggi s ASP 56 CO 0.00 0.19 0.44 -0.54 0.70 0.00 0.00 175.17 175.96 1ggi s LYS 57 N 0.29 3.58 -0.02 2.11 3.01 -1.26 -0.09 119.74 127.37 1ggi s LYS 57 Ca 0.06 -0.16 0.00 0.00 -1.01 0.00 0.00 55.97 54.86 1ggi s LYS 57 Cb -0.12 -2.77 0.02 0.00 -1.01 0.00 0.00 37.83 33.95 1ggi s LYS 57 CO -0.01 0.35 0.00 1.03 0.51 0.00 0.00 175.35 177.24 1ggi s ARG 58 N -3.24 0.11 -0.01 1.68 1.81 -0.60 -4.97 118.95 113.74 1ggi s ARG 58 Ca 0.41 0.06 0.04 0.00 -1.72 0.00 0.00 55.73 54.52 1ggi s ARG 58 Cb -0.11 -0.26 -0.01 0.00 -0.45 0.00 0.00 34.95 34.12 1ggi s ARG 58 CO 0.28 -0.08 -0.12 0.71 -0.68 0.00 0.00 175.30 175.41 1ggi s TYR 59 N 0.62 1.05 -0.19 -0.53 2.02 -1.26 -1.17 117.35 117.90 1ggi s TYR 59 Ca -0.06 -0.21 -0.29 0.00 -0.37 0.00 0.00 57.07 56.15 1ggi s TYR 59 Cb -0.08 -0.67 -0.06 0.00 -0.40 0.00 0.00 41.96 40.74 1ggi s TYR 59 CO -0.01 -0.02 2.19 -1.71 -1.57 0.00 0.00 175.55 174.43 1ggi n ASN 60 N 2.75 3.33 0.00 2.29 2.85 1.00 -4.73 115.26 122.75 1ggi n ASN 60 Ca -0.14 0.31 0.08 0.00 -0.11 0.00 0.00 54.58 54.72 1ggi n ASN 60 Cb 0.56 -1.54 0.40 0.00 1.24 0.00 0.00 39.78 40.44 1ggi n ASN 60 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1ggi n PRO 61 N 8.54 0.20 -0.00 1.20 -0.04 -1.26 0.12 135.00 143.77 1ggi n PRO 61 Ca 0.29 0.15 0.10 0.00 -0.04 0.00 0.00 63.50 64.00 1ggi n PRO 61 Cb 0.43 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 1ggi n PRO 61 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ggi n SER 62 N -1.32 0.82 -0.11 3.54 7.64 -1.26 -4.05 113.62 118.88 1ggi n SER 62 Ca 0.07 -0.79 0.03 0.00 1.01 0.00 0.00 58.87 59.19 1ggi n SER 62 Cb 0.14 1.12 -0.01 0.00 -1.01 0.00 0.00 64.21 64.44 1ggi n SER 62 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ggi n LEU 63 N -1.63 0.77 -0.14 -3.43 7.99 0.29 -4.79 117.00 116.06 1ggi n LEU 63 Ca 0.03 -0.67 0.27 0.00 -0.01 0.00 0.00 56.01 55.63 1ggi n LEU 63 Cb 0.37 0.00 0.72 0.00 -0.11 0.00 0.00 43.42 44.40 1ggi n LEU 63 CO 0.43 0.17 1.25 0.50 -1.51 0.00 0.00 177.39 178.23 1ggi h LYS 64 N 0.52 0.00 0.58 3.23 3.64 0.85 -2.13 116.57 123.26 1ggi h LYS 64 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1ggi h LYS 64 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1ggi h LYS 64 CO 0.00 0.00 -0.30 0.66 -2.27 0.00 0.00 179.45 177.54 1ggi h SER 65 N 0.00 -0.74 1.31 4.20 4.64 -1.85 -3.34 113.55 117.78 1ggi h SER 65 Ca 0.39 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1ggi h SER 65 Cb 1.62 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 1ggi h SER 65 CO -0.00 -0.50 -0.08 0.54 -0.87 0.00 0.00 176.83 175.92 1ggi n ARG 66 N -4.28 0.22 -3.24 4.77 1.74 -0.85 -4.90 116.66 110.13 1ggi n ARG 66 Ca -0.10 0.16 -0.25 0.00 -0.77 0.00 0.00 57.85 56.89 1ggi n ARG 66 Cb 0.33 -1.74 -0.01 0.00 -1.02 0.00 0.00 32.46 30.02 1ggi n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ggi s LEU 67 N -4.21 3.95 -0.30 0.55 1.43 -0.92 -0.62 118.68 118.56 1ggi s LEU 67 Ca 0.11 0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 53.72 1ggi s LEU 67 Cb 0.14 -3.45 0.15 0.00 0.03 0.00 0.00 46.19 43.06 1ggi s LEU 67 CO 0.60 -0.33 0.63 -0.54 0.23 0.00 0.00 176.35 176.95 1ggi s LYS 68 N -4.25 0.57 0.20 1.70 1.02 -0.81 -4.93 119.74 113.24 1ggi s LYS 68 Ca 0.42 1.28 0.05 0.00 0.02 0.00 0.00 55.97 57.74 1ggi s LYS 68 Cb -0.10 0.76 -0.03 0.00 -0.52 0.00 0.00 37.83 37.93 1ggi s LYS 68 CO 0.37 -0.36 0.24 0.42 -0.92 0.00 0.00 175.35 175.10 1ggi s ILE 69 N 2.88 4.88 0.16 2.17 1.01 -1.26 -1.30 121.20 129.74 1ggi s ILE 69 Ca 0.04 -1.03 -0.24 0.00 0.00 0.00 0.00 60.65 59.42 1ggi s ILE 69 Cb -0.13 -3.57 0.06 0.00 0.01 0.00 0.00 42.46 38.83 1ggi s ILE 69 CO -0.20 -0.21 0.80 -0.94 0.00 0.00 0.00 174.94 174.39 1ggi s SER 70 N -3.52 -0.32 0.04 3.58 1.04 -1.00 -4.98 113.70 108.54 1ggi s SER 70 Ca 0.33 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.48 1ggi s SER 70 Cb -0.10 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1ggi s SER 70 CO 0.26 -0.99 -0.07 -1.59 0.98 0.00 0.00 173.24 171.84 1ggi s LYS 71 N -3.53 0.53 -0.66 4.02 -2.85 -1.26 -1.37 119.74 114.62 1ggi s LYS 71 Ca 0.08 -0.82 0.05 0.00 -1.00 0.00 0.00 55.97 54.28 1ggi s LYS 71 Cb -0.03 -0.18 0.17 0.00 -2.06 0.00 0.00 37.83 35.73 1ggi s LYS 71 CO -0.02 0.02 0.47 0.34 0.10 0.00 0.00 175.35 176.25 1ggi s ASP 72 N -1.79 4.40 0.44 0.03 -1.08 -0.47 -4.98 116.67 113.23 1ggi s ASP 72 Ca -0.08 -3.73 0.10 0.00 -0.52 0.00 0.00 52.55 48.33 1ggi s ASP 72 Cb -0.07 -1.49 0.98 0.00 -1.46 0.00 0.00 42.92 40.88 1ggi s ASP 72 CO -0.01 -0.10 2.07 0.00 0.52 0.00 0.00 175.17 177.65 1ggi h THR 73 N 4.47 1.05 -0.03 1.71 1.03 -1.97 -1.91 112.91 117.25 1ggi h THR 73 Ca 0.15 -0.14 0.00 0.00 -0.01 0.00 0.00 66.41 66.41 1ggi h THR 73 Cb 0.78 0.60 0.00 0.00 -1.07 0.00 0.00 68.15 68.46 1ggi h THR 73 CO 0.67 0.07 0.00 -1.54 -0.01 0.00 0.00 175.52 174.72 1ggi n SER 74 N -4.49 0.33 -0.11 0.00 3.41 -1.26 -3.27 113.62 108.23 1ggi n SER 74 Ca 0.03 -1.44 0.04 0.00 -0.26 0.00 0.00 58.87 57.24 1ggi n SER 74 Cb 0.12 -0.02 0.05 0.00 -0.26 0.00 0.00 64.21 64.10 1ggi n SER 74 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ggi n ASN 75 N -0.59 1.50 -4.05 4.04 5.03 -0.74 -5.04 115.26 115.42 1ggi n ASN 75 Ca 0.15 -2.27 -0.28 0.00 0.87 0.00 0.00 54.58 53.06 1ggi n ASN 75 Cb 0.12 -0.20 -0.04 0.00 -1.02 0.00 0.00 39.78 38.65 1ggi n ASN 75 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1ggi n ASN 76 N -0.70 -0.44 -4.00 6.41 3.02 -1.08 -4.89 115.26 113.58 1ggi n ASN 76 Ca 0.06 -1.06 -0.20 0.00 -0.03 0.00 0.00 54.58 53.35 1ggi n ASN 76 Cb 0.51 -2.75 -0.15 0.00 -0.61 0.00 0.00 39.78 36.77 1ggi n ASN 76 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1ggi s GLN 77 N -6.75 0.94 -0.03 3.52 2.00 -1.11 -2.50 119.66 115.73 1ggi s GLN 77 Ca 0.09 -0.30 0.06 0.00 -2.00 0.00 0.00 55.36 53.21 1ggi s GLN 77 Cb -0.05 -0.88 -0.01 0.00 0.80 0.00 0.00 33.01 32.87 1ggi s GLN 77 CO 0.91 0.12 -0.21 0.08 -0.50 0.00 0.00 175.29 175.69 1ggi s VAL 78 N 0.17 1.71 0.22 1.34 1.01 -0.67 -1.36 120.40 122.82 1ggi s VAL 78 Ca -0.03 -0.91 0.10 0.00 0.00 0.00 0.00 61.98 61.15 1ggi s VAL 78 Cb -0.08 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1ggi s VAL 78 CO 0.00 0.48 -0.19 -0.36 0.00 0.00 0.00 175.10 175.03 1ggi s PHE 79 N -0.35 2.08 -0.02 5.22 0.40 -0.47 -0.11 117.98 124.74 1ggi s PHE 79 Ca 0.04 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 1ggi s PHE 79 Cb -0.10 -0.97 0.00 0.00 0.51 0.00 0.00 43.02 42.47 1ggi s PHE 79 CO 0.00 0.52 -0.06 -1.17 0.70 0.00 0.00 175.22 175.21 1ggi s LEU 80 N -3.11 1.82 -0.12 -0.37 2.96 0.28 -2.38 118.68 117.76 1ggi s LEU 80 Ca 0.23 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 1ggi s LEU 80 Cb -0.05 -0.37 0.02 0.00 0.50 0.00 0.00 46.19 46.28 1ggi s LEU 80 CO 0.11 0.05 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.49 1ggi s LYS 81 N 0.14 2.27 -0.22 1.98 1.02 -0.42 -1.71 119.74 122.79 1ggi s LYS 81 Ca -0.01 -0.58 -0.04 0.00 0.02 0.00 0.00 55.97 55.36 1ggi s LYS 81 Cb -0.06 -1.95 -0.01 0.00 -0.52 0.00 0.00 37.83 35.29 1ggi s LYS 81 CO -0.00 -0.08 -0.03 0.42 -0.92 0.00 0.00 175.35 174.73 1ggi s ILE 82 N 1.04 3.46 0.24 2.17 1.01 -0.28 -1.92 121.20 126.92 1ggi s ILE 82 Ca -0.05 -0.46 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 1ggi s ILE 82 Cb -0.15 -2.58 -0.06 0.00 0.01 0.00 0.00 42.46 39.68 1ggi s ILE 82 CO -0.03 0.42 0.51 -0.89 0.00 0.00 0.00 174.94 174.95 1ggi s THR 82 N 1.49 5.04 -1.26 2.92 2.01 0.21 -0.08 115.64 125.96 1ggi s THR 82 Ca 0.06 0.15 -0.02 0.00 0.31 0.00 0.00 61.69 62.19 1ggi s THR 82 Cb -0.14 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 68.70 1ggi s THR 82 CO -0.03 -0.17 0.97 -1.54 -0.69 0.00 0.00 174.62 173.16 1ggi n SER 82 N -0.49 -2.65 -4.47 3.53 3.41 0.21 -4.84 113.62 108.33 1ggi n SER 82 Ca -0.01 -0.65 -0.48 0.00 -0.26 0.00 0.00 58.87 57.46 1ggi n SER 82 Cb 0.53 -4.86 -0.07 0.00 -0.26 0.00 0.00 64.21 59.55 1ggi n SER 82 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1ggi n VAL 82 N -4.32 0.17 -1.85 -3.33 0.24 -1.06 -4.48 118.33 103.71 1ggi n VAL 82 Ca -0.23 -0.31 -0.30 0.00 -2.04 0.00 0.00 64.34 61.46 1ggi n VAL 82 Cb 0.65 -1.77 0.04 0.00 -1.47 0.00 0.00 33.84 31.29 1ggi n VAL 82 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1ggi s ASP 83 N 7.87 5.53 0.48 -1.34 -1.08 -1.26 0.69 116.67 127.56 1ggi s ASP 83 Ca 1.09 1.21 0.27 0.00 -0.52 0.00 0.00 52.55 54.60 1ggi s ASP 83 Cb -0.77 -2.06 1.13 0.00 -1.46 0.00 0.00 42.92 39.76 1ggi s ASP 83 CO 0.46 -1.30 1.91 0.00 0.52 0.00 0.00 175.17 176.76 1ggi h THR 84 N -0.62 0.44 -1.18 1.71 1.03 -1.93 -3.12 112.91 109.24 1ggi h THR 84 Ca -0.45 -0.88 -0.73 0.00 -0.01 0.00 0.00 66.41 64.34 1ggi h THR 84 Cb 1.24 1.63 -0.13 0.00 -1.07 0.00 0.00 68.15 69.82 1ggi h THR 84 CO 0.63 0.16 2.25 0.00 -0.01 0.00 0.00 175.52 178.55 1ggi n ALA 85 N -2.21 6.77 -1.23 0.00 0.00 -1.26 -2.18 120.51 120.40 1ggi n ALA 85 Ca -0.00 -4.03 0.00 0.00 0.00 0.00 0.00 53.44 49.41 1ggi n ALA 85 Cb 0.37 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.10 1ggi n ALA 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ggi n ASP 86 N 1.61 0.00 -4.69 0.00 8.00 -1.18 -5.08 116.55 115.21 1ggi n ASP 86 Ca 0.61 -0.56 -0.42 0.00 0.71 0.00 0.00 54.79 55.14 1ggi n ASP 86 Cb 0.27 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1ggi n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ggi s THR 87 N 0.00 3.00 0.00 -3.53 2.01 -0.93 -4.86 115.64 111.34 1ggi s THR 87 Ca 0.00 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1ggi s THR 87 Cb 0.00 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.18 1ggi s THR 87 CO 0.00 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 173.94 1ggi n ALA 88 N 5.32 0.00 -3.18 7.40 0.00 -0.25 -4.51 120.51 125.29 1ggi n ALA 88 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.31 1ggi n ALA 88 Cb 0.40 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.69 1ggi n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ggi s THR 89 N -2.44 1.66 -0.21 0.00 2.01 0.40 -1.32 115.64 115.74 1ggi s THR 89 Ca 0.00 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 61.14 1ggi s THR 89 Cb 0.00 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 1ggi s THR 89 CO 0.00 0.47 0.02 -0.31 -0.69 0.00 0.00 174.62 174.11 1ggi s TYR 90 N 0.32 3.06 -0.10 4.92 1.51 -0.28 -0.25 117.35 126.53 1ggi s TYR 90 Ca -0.13 -0.43 -0.04 0.00 -1.01 0.00 0.00 57.07 55.46 1ggi s TYR 90 Cb -0.16 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 1ggi s TYR 90 CO 0.06 -0.26 0.04 0.71 -1.11 0.00 0.00 175.55 174.99 1ggi s TYR 91 N 1.14 3.27 0.01 2.71 2.02 -0.07 -1.27 117.35 125.17 1ggi s TYR 91 Ca 0.03 0.25 0.05 0.00 -0.37 0.00 0.00 57.07 57.03 1ggi s TYR 91 Cb -0.14 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.53 1ggi s TYR 91 CO 0.02 0.50 -0.12 0.00 -1.57 0.00 0.00 175.55 174.38 1ggi s VAL 93 N -0.93 1.69 0.64 0.00 1.01 -0.53 -1.46 120.40 120.81 1ggi s VAL 93 Ca 0.15 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1ggi s VAL 93 Cb -0.11 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1ggi s VAL 93 CO 0.06 0.48 0.99 0.00 0.00 0.00 0.00 175.10 176.63 1ggi s GLN 94 N 0.06 3.04 0.56 2.72 -2.07 -0.97 -0.79 119.66 122.21 1ggi s GLN 94 Ca -0.07 0.31 -0.19 0.00 -1.82 0.00 0.00 55.36 53.60 1ggi s GLN 94 Cb -0.13 -2.15 -0.07 0.00 -1.09 0.00 0.00 33.01 29.57 1ggi s GLN 94 CO 0.04 -0.79 0.87 -1.91 -1.32 0.00 0.00 175.29 172.18 1ggi n GLU 95 N -2.76 0.89 0.00 9.60 4.07 -0.51 -2.50 120.64 129.43 1ggi n GLU 95 Ca 0.05 0.34 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 1ggi n GLU 95 Cb 0.57 -2.04 0.00 0.00 -0.06 0.00 0.00 31.44 29.91 1ggi n GLU 95 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ggi n GLY 96 N 1.38 3.03 2.69 8.31 0.00 -1.26 -4.60 105.19 114.75 1ggi n GLY 96 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 1ggi n GLY 96 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ggi n TYR 97 N -1.17 -0.05 -0.03 1.61 4.02 -1.04 -4.81 117.16 115.70 1ggi n TYR 97 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 1ggi n TYR 97 Cb 0.00 -2.38 -0.13 0.00 -0.02 0.00 0.00 39.34 36.81 1ggi n TYR 97 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1ggi h ILE 101 N 0.00 1.14 -2.41 -0.72 2.04 -1.81 -3.43 117.51 112.32 1ggi h ILE 101 Ca -0.15 -2.35 -0.62 0.00 1.00 0.00 0.00 64.86 62.73 1ggi h ILE 101 Cb 1.01 2.73 -0.14 0.00 -0.74 0.00 0.00 36.82 39.69 1ggi h ILE 101 CO 0.22 0.60 0.77 -0.31 0.00 0.00 0.00 178.15 179.44 1ggi s TYR 102 N -2.41 2.69 -0.11 1.37 2.02 -1.26 -5.04 117.35 114.60 1ggi s TYR 102 Ca -0.21 -0.67 -0.03 0.00 -0.37 0.00 0.00 57.07 55.79 1ggi s TYR 102 Cb 0.03 -4.38 -0.03 0.00 -0.40 0.00 0.00 41.96 37.18 1ggi s TYR 102 CO 0.72 -1.71 -0.01 -1.58 -1.57 0.00 0.00 175.55 171.39 1ggi s TRP 103 N 4.13 3.10 0.29 2.71 0.52 -1.26 -2.28 118.94 126.15 1ggi s TRP 103 Ca 0.28 0.01 -0.28 0.00 0.02 0.00 0.00 56.10 56.13 1ggi s TRP 103 Cb -0.12 -1.86 -0.09 0.00 -1.15 0.00 0.00 33.47 30.25 1ggi s TRP 103 CO 0.05 0.27 0.99 0.20 0.02 0.00 0.00 176.95 178.47 1ggi s GLY 104 N -0.36 2.96 0.54 0.98 0.00 -0.53 -4.81 107.32 106.10 1ggi s GLY 104 Ca 0.07 0.66 0.44 0.00 0.00 0.00 0.00 44.72 45.89 1ggi s GLY 104 CO 0.02 1.18 1.64 -1.61 0.00 0.00 0.00 173.10 174.34 1ggi h GLN 105 N 3.57 0.01 0.00 2.90 5.75 -1.89 -3.39 115.11 122.06 1ggi h GLN 105 Ca -0.46 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 1ggi h GLN 105 Cb 1.20 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.75 1ggi h GLN 105 CO 0.66 0.01 0.00 0.41 -2.65 0.00 0.00 178.83 177.26 1ggi n GLY 106 N -1.84 0.03 3.49 2.39 0.00 -1.25 -4.96 105.19 103.04 1ggi n GLY 106 Ca 0.38 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 1ggi n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ggi s THR 107 N -0.88 3.11 0.20 2.61 -4.23 -0.40 -4.82 115.64 111.23 1ggi s THR 107 Ca 0.00 -0.79 -0.30 0.00 -1.18 0.00 0.00 61.69 59.42 1ggi s THR 107 Cb 0.00 -2.25 -0.08 0.00 1.34 0.00 0.00 72.50 71.51 1ggi s THR 107 CO 0.00 0.53 1.03 -0.55 -0.54 0.00 0.00 174.62 175.09 1ggi s SER 108 N -0.92 7.42 -0.05 3.99 0.15 -1.26 -1.13 113.70 121.90 1ggi s SER 108 Ca 0.13 2.02 0.02 0.00 0.70 0.00 0.00 55.95 58.81 1ggi s SER 108 Cb -0.11 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.61 1ggi s SER 108 CO 0.02 -0.07 -0.09 -0.69 1.20 0.00 0.00 173.24 173.61 1ggi s VAL 109 N -0.60 0.86 -0.09 4.45 1.01 -0.43 -4.46 120.40 121.13 1ggi s VAL 109 Ca 0.46 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1ggi s VAL 109 Cb -0.28 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.30 1ggi s VAL 109 CO 0.34 0.29 -0.20 0.28 0.00 0.00 0.00 175.10 175.81 1ggi s THR 110 N 0.66 1.77 -0.88 3.92 -1.32 -1.21 -1.09 115.64 117.49 1ggi s THR 110 Ca -0.12 -0.84 -0.03 0.00 -1.21 0.00 0.00 61.69 59.49 1ggi s THR 110 Cb -0.14 -1.55 0.22 0.00 -1.51 0.00 0.00 72.50 69.52 1ggi s THR 110 CO 0.02 0.49 0.77 -0.69 -2.21 0.00 0.00 174.62 173.00 1ggi s VAL 111 N 0.52 4.51 -0.13 5.08 1.01 -1.26 -2.05 120.40 128.07 1ggi s VAL 111 Ca -0.16 -3.62 0.01 0.00 0.00 0.00 0.00 61.98 58.21 1ggi s VAL 111 Cb -0.17 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1ggi s VAL 111 CO 0.06 -1.07 -0.17 -0.55 0.00 0.00 0.00 175.10 173.38 1ggi s SER 112 N 0.25 2.72 -1.29 3.32 0.15 -0.84 -4.55 113.70 113.45 1ggi s SER 112 Ca 0.26 -0.50 -0.11 0.00 0.70 0.00 0.00 55.95 56.30 1ggi s SER 112 Cb -0.10 -1.22 -0.06 0.00 -1.71 0.00 0.00 66.02 62.93 1ggi s SER 112 CO -0.10 0.00 2.47 -1.54 1.20 0.00 0.00 173.24 175.27 1ggi n SER 113 N 4.41 6.15 -3.79 5.45 3.41 -1.26 -4.44 113.62 123.55 1ggi n SER 113 Ca -0.19 -2.55 -0.10 0.00 -0.26 0.00 0.00 58.87 55.78 1ggi n SER 113 Cb 0.51 -1.39 -0.05 0.00 -0.26 0.00 0.00 64.21 63.02 1ggi n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ggi s ALA 114 N 3.01 -0.60 0.37 7.33 0.00 -1.26 -5.07 121.76 125.54 1ggi s ALA 114 Ca 0.55 -0.41 0.08 0.00 0.00 0.00 0.00 51.96 52.18 1ggi s ALA 114 Cb 0.15 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 24.01 1ggi s ALA 114 CO -0.04 -0.70 0.17 -1.59 0.00 0.00 0.00 175.76 173.61 1ggi s LYS 115 N -3.88 2.34 -0.58 0.00 -2.85 -1.26 -5.02 119.74 108.48 1ggi s LYS 115 Ca 0.10 -1.63 -0.28 0.00 -1.00 0.00 0.00 55.97 53.16 1ggi s LYS 115 Cb 0.01 -2.14 -0.10 0.00 -2.06 0.00 0.00 37.83 33.54 1ggi s LYS 115 CO -0.05 0.02 2.46 2.41 0.10 0.00 0.00 175.35 180.29 1ggi n THR 116 N -1.21 -0.04 -3.46 3.79 -1.04 -1.26 -4.72 114.28 106.34 1ggi n THR 116 Ca -0.02 -0.60 -0.38 0.00 -2.04 0.00 0.00 64.05 61.02 1ggi n THR 116 Cb 0.62 -2.25 -0.08 0.00 -1.82 0.00 0.00 70.33 66.80 1ggi n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ggi s THR 117 N 11.21 5.24 0.27 12.58 2.01 -0.97 -4.93 115.64 141.05 1ggi s THR 117 Ca 1.07 0.56 -0.26 0.00 0.31 0.00 0.00 61.69 63.37 1ggi s THR 117 Cb -0.44 -3.67 -0.09 0.00 0.01 0.00 0.00 72.50 68.31 1ggi s THR 117 CO 0.32 0.26 0.89 0.00 -0.69 0.00 0.00 174.62 175.41 1ggi s ALA 118 N 1.34 3.30 0.41 7.40 0.00 -1.26 -1.18 121.76 131.76 1ggi s ALA 118 Ca 0.16 0.47 -0.18 0.00 0.00 0.00 0.00 51.96 52.41 1ggi s ALA 118 Cb -0.15 -3.11 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 1ggi s ALA 118 CO 0.07 0.22 0.88 -1.25 0.00 0.00 0.00 175.76 175.69 1ggi s PRO 119 N -1.71 4.10 -0.16 0.00 0.04 -1.26 -4.83 135.00 131.18 1ggi s PRO 119 Ca 0.45 0.92 -0.24 0.00 0.04 0.00 0.00 61.00 62.18 1ggi s PRO 119 Cb -0.21 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 1ggi s PRO 119 CO 0.26 -0.01 0.75 -1.12 0.04 0.00 0.00 177.00 176.92 1ggi s SER 120 N -2.39 6.88 -0.91 6.66 0.01 -0.27 -4.90 113.70 118.78 1ggi s SER 120 Ca 0.59 1.07 -0.11 0.00 1.31 0.00 0.00 55.95 58.81 1ggi s SER 120 Cb -0.10 -2.42 0.23 0.00 0.21 0.00 0.00 66.02 63.95 1ggi s SER 120 CO 0.18 -0.31 0.85 -0.69 0.41 0.00 0.00 173.24 173.68 1ggi s VAL 121 N 1.84 5.57 0.08 3.43 1.01 -1.26 -1.01 120.40 130.07 1ggi s VAL 121 Ca 0.35 -2.85 -0.23 0.00 0.00 0.00 0.00 61.98 59.25 1ggi s VAL 121 Cb -0.17 -4.42 -0.06 0.00 0.00 0.00 0.00 36.38 31.73 1ggi s VAL 121 CO 0.13 -1.07 0.71 -0.31 0.00 0.00 0.00 175.10 174.55 1ggi s TYR 122 N -0.35 3.79 0.44 5.22 2.02 0.95 -4.87 117.35 124.56 1ggi s TYR 122 Ca 0.22 1.44 -0.23 0.00 -0.37 0.00 0.00 57.07 58.14 1ggi s TYR 122 Cb -0.11 -2.71 -0.08 0.00 -0.40 0.00 0.00 41.96 38.66 1ggi s TYR 122 CO -0.08 0.42 1.08 -1.25 -1.57 0.00 0.00 175.55 174.14 1ggi s PRO 123 N -0.60 3.96 -0.29 -1.71 0.04 -1.26 -0.12 135.00 135.01 1ggi s PRO 123 Ca 0.35 1.55 -0.00 0.00 0.04 0.00 0.00 61.00 62.94 1ggi s PRO 123 Cb -0.21 -2.39 0.09 0.00 0.04 0.00 0.00 34.50 32.03 1ggi s PRO 123 CO 0.22 -0.33 0.06 -0.51 0.04 0.00 0.00 177.00 176.48 1ggi s LEU 124 N -2.96 2.58 0.27 -3.56 1.43 0.40 -4.91 118.68 111.93 1ggi s LEU 124 Ca 0.62 -1.56 0.10 0.00 -1.03 0.00 0.00 54.13 52.26 1ggi s LEU 124 Cb -0.23 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.95 1ggi s LEU 124 CO 0.28 -0.37 -0.07 0.00 0.23 0.00 0.00 176.35 176.41 1ggi s ALA 125 N 1.50 3.01 0.78 4.21 0.00 -1.26 -0.58 121.76 129.42 1ggi s ALA 125 Ca 0.06 -1.74 -0.13 0.00 0.00 0.00 0.00 51.96 50.16 1ggi s ALA 125 Cb -0.18 -0.59 0.07 0.00 0.00 0.00 0.00 23.12 22.42 1ggi s ALA 125 CO -0.18 0.27 1.16 -2.14 0.00 0.00 0.00 175.76 174.87 1ggi s PRO 126 N -3.62 1.95 0.00 0.00 0.02 -1.26 -4.97 135.00 127.12 1ggi s PRO 126 Ca 0.31 1.54 0.23 0.00 0.02 0.00 0.00 61.00 63.10 1ggi s PRO 126 Cb -0.06 -1.83 0.50 0.00 0.02 0.00 0.00 34.50 33.12 1ggi s PRO 126 CO 0.18 -1.94 1.44 0.28 -0.33 0.00 0.00 177.00 176.63 1ggi n VAL 127 N -3.23 0.55 0.00 3.83 0.31 -1.26 -4.67 118.33 113.86 1ggi n VAL 127 Ca 0.12 -0.74 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1ggi n VAL 127 Cb 0.51 0.81 0.00 0.00 -0.91 0.00 0.00 33.84 34.25 1ggi n VAL 127 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ggi s GLY 129 N 0.00 -0.25 -0.46 0.00 0.00 -1.26 -5.15 107.32 100.20 1ggi s GLY 129 Ca 0.00 1.73 0.03 0.00 0.00 0.00 0.00 44.72 46.47 1ggi s GLY 129 CO 0.00 0.57 0.29 -0.35 0.00 0.00 0.00 173.10 173.61 1ggi s ASP 130 N -2.13 3.30 0.60 1.64 2.15 -1.26 -4.97 116.67 116.00 1ggi s ASP 130 Ca 0.11 -2.81 0.00 0.00 0.43 0.00 0.00 52.55 50.27 1ggi s ASP 130 Cb -0.01 -0.92 0.00 0.00 -0.30 0.00 0.00 42.92 41.69 1ggi s ASP 130 CO -0.04 -0.23 0.00 1.07 -0.17 0.00 0.00 175.17 175.80 1ggi n THR 133 N 3.27 0.00 -2.10 1.71 5.66 -1.26 -4.86 114.28 116.70 1ggi n THR 133 Ca 0.14 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.29 1ggi n THR 133 Cb 0.37 -1.81 -0.04 0.00 -1.55 0.00 0.00 70.33 67.31 1ggi n THR 133 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1ggi n THR 134 N -1.30 0.00 -2.90 1.09 -2.24 -1.26 -4.35 114.28 103.32 1ggi n THR 134 Ca 0.00 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.34 1ggi n THR 134 Cb 0.00 -0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1ggi n THR 134 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ggi s GLY 135 N -6.57 2.31 -1.60 3.38 0.00 -1.26 -4.60 107.32 98.98 1ggi s GLY 135 Ca 0.00 -3.30 -0.10 0.00 0.00 0.00 0.00 44.72 41.32 1ggi s GLY 135 CO 0.00 2.13 0.53 -1.26 0.00 0.00 0.00 173.10 174.49 1ggi n SER 136 N 5.98 -1.52 -4.36 1.64 2.88 -1.26 -4.93 113.62 112.05 1ggi n SER 136 Ca 0.38 -1.07 -0.18 0.00 -1.33 0.00 0.00 58.87 56.66 1ggi n SER 136 Cb 0.43 -2.57 -0.10 0.00 -0.75 0.00 0.00 64.21 61.22 1ggi n SER 136 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ggi s SER 137 N -3.82 1.89 0.01 -3.46 0.01 -1.26 -0.74 113.70 106.34 1ggi s SER 137 Ca 0.39 -1.28 0.02 0.00 1.31 0.00 0.00 55.95 56.39 1ggi s SER 137 Cb -0.22 0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 1ggi s SER 137 CO 0.94 -0.56 -0.06 0.68 0.41 0.00 0.00 173.24 174.65 1ggi s VAL 138 N -3.43 0.41 -0.09 3.43 -7.23 -0.53 -4.62 120.40 108.35 1ggi s VAL 138 Ca 0.32 -0.54 -0.13 0.00 -1.81 0.00 0.00 61.98 59.83 1ggi s VAL 138 Cb 0.07 -0.41 -0.05 0.00 0.56 0.00 0.00 36.38 36.55 1ggi s VAL 138 CO 0.11 -0.09 0.30 -0.89 -0.31 0.00 0.00 175.10 174.22 1ggi s THR 139 N -0.61 5.25 0.42 5.32 2.01 -1.26 -2.02 115.64 124.74 1ggi s THR 139 Ca -0.03 0.58 0.07 0.00 0.31 0.00 0.00 61.69 62.62 1ggi s THR 139 Cb -0.05 -3.61 -0.07 0.00 0.01 0.00 0.00 72.50 68.78 1ggi s THR 139 CO -0.00 0.52 0.05 -0.76 -0.69 0.00 0.00 174.62 173.73 1ggi s LEU 140 N -0.47 2.90 0.23 4.42 1.43 -0.10 -4.61 118.68 122.48 1ggi s LEU 140 Ca 0.19 -1.33 -0.17 0.00 -1.03 0.00 0.00 54.13 51.79 1ggi s LEU 140 Cb -0.14 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.10 1ggi s LEU 140 CO 0.07 -0.49 0.56 -0.83 0.23 0.00 0.00 176.35 175.89 1ggi s GLY 141 N -3.76 0.09 -0.03 -3.19 0.00 0.26 -1.40 107.32 99.29 1ggi s GLY 141 Ca 0.35 -0.44 -0.00 0.00 0.00 0.00 0.00 44.72 44.63 1ggi s GLY 141 CO 0.18 -0.33 0.01 0.00 0.00 0.00 0.00 173.10 172.96 1ggi s LEU 143 N 1.22 3.20 -0.54 0.00 1.98 0.83 -1.40 118.68 123.97 1ggi s LEU 143 Ca -0.07 -0.25 0.02 0.00 -2.89 0.00 0.00 54.13 50.93 1ggi s LEU 143 Cb -0.13 -1.82 0.14 0.00 0.66 0.00 0.00 46.19 45.03 1ggi s LEU 143 CO -0.02 0.02 0.30 -0.69 -1.89 0.00 0.00 176.35 174.07 1ggi s VAL 144 N 1.26 2.96 0.00 1.68 1.01 -0.42 -0.03 120.40 126.86 1ggi s VAL 144 Ca 0.04 -3.09 -0.20 0.00 0.00 0.00 0.00 61.98 58.72 1ggi s VAL 144 Cb -0.15 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1ggi s VAL 144 CO 0.01 -0.81 0.58 -0.75 0.00 0.00 0.00 175.10 174.13 1ggi s LYS 145 N -0.08 4.29 -0.72 2.72 2.20 -0.18 -2.05 119.74 125.91 1ggi s LYS 145 Ca 0.16 0.71 -0.02 0.00 -0.36 0.00 0.00 55.97 56.46 1ggi s LYS 145 Cb -0.23 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 1ggi s LYS 145 CO -0.02 0.41 0.66 0.41 -0.36 0.00 0.00 175.35 176.45 1ggi n GLY 146 N 2.36 -0.94 3.63 5.54 0.00 -0.60 -1.11 105.19 114.07 1ggi n GLY 146 Ca -0.08 0.39 -0.26 0.00 0.00 0.00 0.00 46.02 46.08 1ggi n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ggi s TYR 147 N -3.15 2.53 -0.21 1.61 1.13 -0.65 -4.39 117.35 114.21 1ggi s TYR 147 Ca 0.17 -0.52 -0.16 0.00 -1.41 0.00 0.00 57.07 55.16 1ggi s TYR 147 Cb -0.02 -1.61 0.06 0.00 -1.10 0.00 0.00 41.96 39.29 1ggi s TYR 147 CO 0.61 0.44 0.55 0.12 -2.51 0.00 0.00 175.55 174.76 1ggi s PHE 148 N -2.59 -0.71 0.64 -3.49 2.19 -0.33 -0.59 117.98 113.10 1ggi s PHE 148 Ca 0.35 1.58 0.07 0.00 0.33 0.00 0.00 56.93 59.27 1ggi s PHE 148 Cb 0.03 0.32 0.11 0.00 -1.31 0.00 0.00 43.02 42.17 1ggi s PHE 148 CO 0.19 -0.36 0.88 -2.30 1.83 0.00 0.00 175.22 175.46 1ggi n PRO 149 N 3.51 0.40 -1.96 10.12 -0.02 -1.26 -2.28 135.00 143.51 1ggi n PRO 149 Ca -0.18 -3.11 -0.39 0.00 -2.02 0.00 0.00 63.50 57.80 1ggi n PRO 149 Cb 0.57 -0.36 0.01 0.00 -0.02 0.00 0.00 33.50 33.69 1ggi n PRO 149 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ggi s GLU 150 N -4.84 3.68 0.42 -0.52 0.41 -1.26 -4.64 118.70 111.95 1ggi s GLU 150 Ca 0.64 2.18 0.06 0.00 -0.41 0.00 0.00 54.97 57.44 1ggi s GLU 150 Cb -0.05 -2.57 -0.07 0.00 -1.78 0.00 0.00 34.13 29.67 1ggi s GLU 150 CO 0.41 -0.74 0.02 -1.25 -0.49 0.00 0.00 175.26 173.21 1ggi s PRO 151 N -2.51 1.96 0.10 0.39 0.04 -1.26 -5.02 135.00 128.70 1ggi s PRO 151 Ca 0.62 -2.13 0.04 0.00 0.04 0.00 0.00 61.00 59.57 1ggi s PRO 151 Cb -0.39 -1.50 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1ggi s PRO 151 CO 0.48 -0.13 0.08 0.14 0.04 0.00 0.00 177.00 177.62 1ggi s VAL 152 N -2.82 4.44 -0.28 -0.36 -7.23 -1.26 -4.18 120.40 108.70 1ggi s VAL 152 Ca 0.30 -0.89 -0.10 0.00 -1.81 0.00 0.00 61.98 59.48 1ggi s VAL 152 Cb 0.08 -3.17 -0.04 0.00 0.56 0.00 0.00 36.38 33.82 1ggi s VAL 152 CO 0.15 0.06 0.15 0.42 -0.31 0.00 0.00 175.10 175.57 1ggi s THR 153 N -1.48 4.91 -0.14 5.32 -4.23 0.06 -4.93 115.64 115.15 1ggi s THR 153 Ca 0.29 -0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.78 1ggi s THR 153 Cb -0.11 -3.36 -0.00 0.00 1.34 0.00 0.00 72.50 70.36 1ggi s THR 153 CO 0.22 0.24 -0.17 -0.22 -0.54 0.00 0.00 174.62 174.14 1ggi s LEU 154 N 1.69 2.40 -0.07 4.79 0.20 -1.26 -1.18 118.68 125.26 1ggi s LEU 154 Ca 0.06 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.43 1ggi s LEU 154 Cb -0.16 -1.53 0.01 0.00 -0.43 0.00 0.00 46.19 44.08 1ggi s LEU 154 CO 0.08 0.11 -0.13 0.42 -0.29 0.00 0.00 176.35 176.53 1ggi s THR 156 N 0.67 1.24 0.20 3.68 -4.23 0.07 -4.96 115.64 112.30 1ggi s THR 156 Ca -0.09 -0.54 -0.30 0.00 -1.18 0.00 0.00 61.69 59.59 1ggi s THR 156 Cb -0.16 -1.12 -0.08 0.00 1.34 0.00 0.00 72.50 72.48 1ggi s THR 156 CO 0.02 0.38 1.08 0.26 -0.54 0.00 0.00 174.62 175.82 1ggi s TRP 157 N 0.65 3.64 -1.01 3.99 0.52 -1.25 -1.52 118.94 123.96 1ggi s TRP 157 Ca -0.15 1.66 0.00 0.00 0.02 0.00 0.00 56.10 57.63 1ggi s TRP 157 Cb -0.16 -3.24 0.00 0.00 -1.15 0.00 0.00 33.47 28.92 1ggi s TRP 157 CO 0.04 -0.45 0.00 0.09 0.02 0.00 0.00 176.95 176.65 1ggi n ASN 162 N 2.04 -2.74 -3.72 2.95 4.13 -0.60 -0.52 115.26 116.80 1ggi n ASN 162 Ca 0.01 0.25 -0.25 0.00 1.68 0.00 0.00 54.58 56.27 1ggi n ASN 162 Cb 0.46 -2.61 0.05 0.00 -1.54 0.00 0.00 39.78 36.14 1ggi n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1ggi n SER 163 N -0.43 -4.50 0.00 6.41 7.64 -1.24 -2.87 113.62 118.63 1ggi n SER 163 Ca -0.10 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.09 1ggi n SER 163 Cb 0.37 -4.44 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 1ggi n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ggi n GLY 164 N -1.73 1.07 0.00 0.23 0.00 0.32 -4.80 105.19 100.28 1ggi n GLY 164 Ca -0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1ggi n GLY 164 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ggi n SER 165 N 0.00 0.11 -3.67 1.61 7.64 -1.14 -4.35 113.62 113.82 1ggi n SER 165 Ca 0.00 0.27 -0.24 0.00 1.01 0.00 0.00 58.87 59.91 1ggi n SER 165 Cb 0.00 -0.33 -0.17 0.00 -1.01 0.00 0.00 64.21 62.70 1ggi n SER 165 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1ggi s LEU 166 N -2.95 0.44 0.00 -3.43 2.96 -1.18 -4.97 118.68 109.55 1ggi s LEU 166 Ca 0.15 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 1ggi s LEU 166 Cb 0.19 -0.29 0.00 0.00 0.50 0.00 0.00 46.19 46.59 1ggi s LEU 166 CO 0.55 -0.29 0.00 -1.54 -1.32 0.00 0.00 176.35 173.75 1ggi n SER 167 N 5.23 1.06 -4.71 3.68 3.41 -1.26 -3.89 113.62 117.15 1ggi n SER 167 Ca -0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.13 1ggi n SER 167 Cb 0.49 0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 1ggi n SER 167 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ggi s SER 168 N -1.50 7.16 0.00 4.04 0.15 -1.26 -2.41 113.70 119.88 1ggi s SER 168 Ca 0.00 1.85 0.00 0.00 0.70 0.00 0.00 55.95 58.50 1ggi s SER 168 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1ggi s SER 168 CO 0.00 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.62 1ggi n GLY 169 N 3.15 0.66 3.71 9.45 0.00 -1.26 -4.82 105.19 116.09 1ggi n GLY 169 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1ggi n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggi s VAL 171 N -2.41 4.98 -0.22 1.61 1.01 -1.01 -2.06 120.40 122.31 1ggi s VAL 171 Ca 0.00 1.66 -0.01 0.00 0.00 0.00 0.00 61.98 63.63 1ggi s VAL 171 Cb 0.00 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1ggi s VAL 171 CO 0.00 0.22 -0.10 -1.00 0.00 0.00 0.00 175.10 174.21 1ggi s HIS 172 N 0.89 2.94 -0.51 5.22 3.76 0.12 -4.94 115.29 122.77 1ggi s HIS 172 Ca 0.43 -1.41 -0.03 0.00 -0.15 0.00 0.00 55.06 53.90 1ggi s HIS 172 Cb -0.19 -2.02 0.13 0.00 1.11 0.00 0.00 32.58 31.61 1ggi s HIS 172 CO 0.22 -0.70 0.31 0.99 -0.85 0.00 0.00 174.74 174.71 1ggi s THR 173 N 1.36 3.48 0.19 1.30 2.01 -1.26 -0.94 115.64 121.77 1ggi s THR 173 Ca 0.03 -2.47 -0.33 0.00 0.31 0.00 0.00 61.69 59.23 1ggi s THR 173 Cb -0.15 -3.33 -0.13 0.00 0.01 0.00 0.00 72.50 68.91 1ggi s THR 173 CO -0.07 -0.78 1.68 0.49 -0.69 0.00 0.00 174.62 175.25 1ggi n PHE 174 N 4.08 2.60 -1.92 4.92 3.72 0.18 -4.93 117.46 126.11 1ggi n PHE 174 Ca 0.02 0.11 -0.38 0.00 -0.05 0.00 0.00 57.45 57.15 1ggi n PHE 174 Cb 0.40 -2.63 0.02 0.00 -0.94 0.00 0.00 39.48 36.33 1ggi n PHE 174 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1ggi s PRO 175 N 1.08 3.39 -0.06 -1.08 0.04 -1.26 -3.68 135.00 133.42 1ggi s PRO 175 Ca 0.76 2.13 -0.30 0.00 0.04 0.00 0.00 61.00 63.64 1ggi s PRO 175 Cb -0.56 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 31.57 1ggi s PRO 175 CO 0.34 -0.96 1.54 0.00 0.04 0.00 0.00 177.00 177.97 1ggi s ALA 176 N -1.35 3.63 0.66 8.56 0.00 -1.26 -4.81 121.76 127.18 1ggi s ALA 176 Ca 0.68 0.85 -0.05 0.00 0.00 0.00 0.00 51.96 53.43 1ggi s ALA 176 Cb -0.38 -3.70 0.05 0.00 0.00 0.00 0.00 23.12 19.09 1ggi s ALA 176 CO 0.45 -1.28 0.96 0.08 0.00 0.00 0.00 175.76 175.97 1ggi s VAL 177 N 3.66 2.62 -0.06 0.00 1.01 -0.76 -4.85 120.40 122.02 1ggi s VAL 177 Ca 0.68 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.43 1ggi s VAL 177 Cb -0.31 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1ggi s VAL 177 CO 0.26 -0.10 -0.15 -1.48 0.00 0.00 0.00 175.10 173.64 1ggi s LEU 178 N -5.13 1.80 0.00 3.92 0.05 -1.26 -0.93 118.68 117.13 1ggi s LEU 178 Ca 0.58 -0.33 0.00 0.00 0.05 0.00 0.00 54.13 54.43 1ggi s LEU 178 Cb -0.11 -0.91 0.00 0.00 -2.05 0.00 0.00 46.19 43.12 1ggi s LEU 178 CO 0.44 0.09 0.00 0.00 -0.55 0.00 0.00 176.35 176.33 1ggi n GLN 179 N 3.48 0.00 -0.47 1.48 10.64 -0.29 -4.79 117.38 127.44 1ggi n GLN 179 Ca -0.20 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.76 1ggi n GLN 179 Cb 0.53 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.87 1ggi n GLN 179 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1ggi n SER 180 N 0.00 1.95 0.00 2.61 3.41 -1.26 -4.17 113.62 116.16 1ggi n SER 180 Ca 0.00 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.33 1ggi n SER 180 Cb 0.00 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1ggi n SER 180 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ggi n ASP 183 N 5.85 -0.75 -4.18 4.04 8.00 -1.26 -4.92 116.55 123.33 1ggi n ASP 183 Ca 0.28 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.45 1ggi n ASP 183 Cb 0.17 -1.60 -0.16 0.00 -0.02 0.00 0.00 41.12 39.51 1ggi n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ggi s LEU 184 N 0.00 2.18 0.54 0.64 1.43 -1.26 -4.95 118.68 117.26 1ggi s LEU 184 Ca 0.00 -0.59 -0.20 0.00 -1.03 0.00 0.00 54.13 52.31 1ggi s LEU 184 Cb 0.00 -1.47 -0.06 0.00 0.03 0.00 0.00 46.19 44.69 1ggi s LEU 184 CO 0.00 0.07 1.14 -0.31 0.23 0.00 0.00 176.35 177.47 1ggi s TYR 185 N 0.91 2.67 -0.10 0.29 2.02 0.24 -1.13 117.35 122.25 1ggi s TYR 185 Ca -0.04 1.54 -0.03 0.00 -0.37 0.00 0.00 57.07 58.17 1ggi s TYR 185 Cb -0.15 -3.31 0.04 0.00 -0.40 0.00 0.00 41.96 38.14 1ggi s TYR 185 CO -0.04 -1.62 0.05 0.99 -1.57 0.00 0.00 175.55 173.37 1ggi s THR 186 N -1.73 0.06 0.18 -0.71 2.01 -0.11 -1.56 115.64 113.78 1ggi s THR 186 Ca 0.72 0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.90 1ggi s THR 186 Cb -0.25 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 1ggi s THR 186 CO 0.28 0.03 0.03 -0.22 -0.69 0.00 0.00 174.62 174.06 1ggi s LEU 187 N 2.09 3.41 -0.15 4.42 2.96 -0.87 -1.83 118.68 128.71 1ggi s LEU 187 Ca 0.04 -0.36 -0.17 0.00 -0.22 0.00 0.00 54.13 53.42 1ggi s LEU 187 Cb -0.14 -2.04 0.04 0.00 0.50 0.00 0.00 46.19 44.56 1ggi s LEU 187 CO -0.06 0.07 0.46 -0.55 -1.32 0.00 0.00 176.35 174.95 1ggi s SER 188 N -3.06 -0.46 0.18 3.68 0.15 -1.24 -1.30 113.70 111.65 1ggi s SER 188 Ca 0.29 0.81 0.06 0.00 0.70 0.00 0.00 55.95 57.81 1ggi s SER 188 Cb -0.09 0.84 -0.05 0.00 -1.71 0.00 0.00 66.02 65.02 1ggi s SER 188 CO 0.20 -0.22 -0.11 -0.55 1.20 0.00 0.00 173.24 173.76 1ggi s SER 189 N -0.03 2.10 0.07 5.45 0.15 -0.49 -0.65 113.70 120.29 1ggi s SER 189 Ca -0.02 -1.04 0.02 0.00 0.70 0.00 0.00 55.95 55.61 1ggi s SER 189 Cb -0.03 -0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.19 1ggi s SER 189 CO 0.02 -0.29 -0.07 -0.94 1.20 0.00 0.00 173.24 173.15 1ggi s SER 190 N -3.24 0.99 -0.04 5.45 1.04 -0.12 -1.65 113.70 116.14 1ggi s SER 190 Ca 0.20 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.88 1ggi s SER 190 Cb 0.02 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.22 1ggi s SER 190 CO 0.04 -0.32 -0.04 0.54 0.98 0.00 0.00 173.24 174.44 1ggi s VAL 191 N -2.41 0.46 -0.24 5.02 0.11 -0.49 0.16 120.40 123.01 1ggi s VAL 191 Ca 0.00 -0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 58.87 1ggi s VAL 191 Cb -0.03 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.28 1ggi s VAL 191 CO -0.02 0.21 0.15 -0.89 -3.33 0.00 0.00 175.10 171.21 1ggi s THR 192 N 0.93 5.23 0.23 5.04 2.01 -0.87 -0.92 115.64 127.29 1ggi s THR 192 Ca -0.11 0.14 0.10 0.00 0.31 0.00 0.00 61.69 62.13 1ggi s THR 192 Cb -0.14 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1ggi s THR 192 CO -0.00 0.35 -0.12 0.68 -0.69 0.00 0.00 174.62 174.83 1ggi s VAL 193 N 1.09 2.94 0.55 3.82 -7.23 -0.86 -4.72 120.40 115.99 1ggi s VAL 193 Ca 0.07 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.06 1ggi s VAL 193 Cb -0.14 -2.51 -0.06 0.00 0.56 0.00 0.00 36.38 34.24 1ggi s VAL 193 CO 0.05 -0.26 1.09 0.42 -0.31 0.00 0.00 175.10 176.08 1ggi s THR 194 N -2.09 3.48 0.60 5.32 -4.23 -1.26 -1.45 115.64 116.00 1ggi s THR 194 Ca 0.27 0.85 0.31 0.00 -1.18 0.00 0.00 61.69 61.95 1ggi s THR 194 Cb -0.07 -3.33 0.37 0.00 1.34 0.00 0.00 72.50 70.80 1ggi s THR 194 CO 0.16 -0.26 2.19 0.28 -0.54 0.00 0.00 174.62 176.44 1ggi h SER 195 N 1.04 0.00 0.22 3.99 0.02 -1.21 -1.83 113.55 115.79 1ggi h SER 195 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1ggi h SER 195 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1ggi h SER 195 CO 0.57 0.00 0.00 0.77 -1.14 0.00 0.00 176.83 177.03 1ggi h SER 196 N 0.00 0.00 0.00 3.07 4.64 -1.92 -3.36 113.55 115.98 1ggi h SER 196 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1ggi h SER 196 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1ggi h SER 196 CO -0.00 0.00 0.00 0.41 -0.87 0.00 0.00 176.83 176.37 1ggi n THR 198 N -2.62 0.00 -3.04 2.95 -1.04 -0.69 -4.08 114.28 105.76 1ggi n THR 198 Ca -0.01 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.65 1ggi n THR 198 Cb 0.10 -0.02 -0.06 0.00 -1.82 0.00 0.00 70.33 68.53 1ggi n THR 198 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1ggi s TRP 199 N 0.20 3.58 -1.34 -1.42 -0.00 -1.17 0.15 118.94 118.93 1ggi s TRP 199 Ca 0.00 1.43 0.16 0.00 -0.00 0.00 0.00 56.10 57.68 1ggi s TRP 199 Cb 0.00 -2.66 0.77 0.00 -0.00 0.00 0.00 33.47 31.58 1ggi s TRP 199 CO 0.00 0.24 1.46 -2.30 -0.00 0.00 0.00 176.95 176.35 1ggi n PRO 200 N 0.38 0.18 0.00 5.86 -0.02 -1.26 -4.67 135.00 135.48 1ggi n PRO 200 Ca 0.00 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1ggi n PRO 200 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1ggi n PRO 200 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ggi n SER 202 N -1.33 0.00 -4.73 2.55 7.64 0.29 -4.65 113.62 113.38 1ggi n SER 202 Ca 0.07 0.61 -0.42 0.00 1.01 0.00 0.00 58.87 60.14 1ggi n SER 202 Cb 0.14 -0.26 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 1ggi n SER 202 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1ggi s GLN 203 N -1.59 4.33 -0.14 1.43 -0.44 0.38 -5.00 119.66 118.64 1ggi s GLN 203 Ca 0.00 2.13 -0.23 0.00 -2.50 0.00 0.00 55.36 54.76 1ggi s GLN 203 Cb 0.00 -3.19 -0.03 0.00 -1.64 0.00 0.00 33.01 28.15 1ggi s GLN 203 CO 0.00 -0.37 0.72 -1.54 0.50 0.00 0.00 175.29 174.60 1ggi s SER 204 N 0.65 6.89 -0.21 6.67 1.04 -1.26 -3.05 113.70 124.42 1ggi s SER 204 Ca 0.61 1.08 -0.04 0.00 0.48 0.00 0.00 55.95 58.07 1ggi s SER 204 Cb -0.38 -2.40 -0.02 0.00 0.10 0.00 0.00 66.02 63.32 1ggi s SER 204 CO 0.36 -0.25 -0.02 0.27 0.98 0.00 0.00 173.24 174.58 1ggi s ILE 205 N 1.53 3.63 -0.08 -1.02 -4.36 -1.26 -5.00 121.20 114.63 1ggi s ILE 205 Ca 0.35 -0.41 0.01 0.00 -0.26 0.00 0.00 60.65 60.34 1ggi s ILE 205 Cb -0.17 -2.65 -0.02 0.00 1.25 0.00 0.00 42.46 40.87 1ggi s ILE 205 CO 0.14 0.42 -0.11 0.28 0.24 0.00 0.00 174.94 175.91 1ggi s THR 206 N 1.31 3.32 -0.17 8.37 -1.32 -1.26 -1.81 115.64 124.08 1ggi s THR 206 Ca 0.04 -0.61 -0.23 0.00 -1.21 0.00 0.00 61.69 59.68 1ggi s THR 206 Cb -0.14 -2.35 -0.02 0.00 -1.51 0.00 0.00 72.50 68.47 1ggi s THR 206 CO -0.01 0.57 0.73 0.00 -2.21 0.00 0.00 174.62 173.70 1ggi s ASN 209 N 1.12 5.55 -0.16 0.00 0.01 -0.57 -0.24 114.94 120.64 1ggi s ASN 209 Ca 0.34 -1.15 -0.07 0.00 -0.71 0.00 0.00 52.86 51.28 1ggi s ASN 209 Cb -0.16 -1.95 -0.04 0.00 0.41 0.00 0.00 41.25 39.50 1ggi s ASN 209 CO 0.12 -0.39 0.06 -0.69 -1.51 0.00 0.00 177.10 174.69 1ggi s VAL 210 N 1.47 4.78 -0.17 1.60 1.01 0.41 -0.75 120.40 128.75 1ggi s VAL 210 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1ggi s VAL 210 Cb -0.20 -3.13 0.05 0.00 0.00 0.00 0.00 36.38 33.10 1ggi s VAL 210 CO 0.04 0.50 -0.01 0.00 0.00 0.00 0.00 175.10 175.63 1ggi s ALA 211 N 0.07 1.20 -0.87 5.51 0.00 -0.32 0.08 121.76 127.43 1ggi s ALA 211 Ca 0.05 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 1ggi s ALA 211 Cb -0.12 -1.10 0.21 0.00 0.00 0.00 0.00 23.12 22.11 1ggi s ALA 211 CO 0.01 -0.90 0.75 -1.58 0.00 0.00 0.00 175.76 174.03 1ggi s HIS 212 N 1.76 3.86 0.29 0.00 2.46 -0.89 -0.76 115.29 122.00 1ggi s HIS 212 Ca 0.00 -3.00 -0.01 0.00 0.47 0.00 0.00 55.06 52.52 1ggi s HIS 212 Cb -0.16 -3.24 0.45 0.00 -0.13 0.00 0.00 32.58 29.51 1ggi s HIS 212 CO -0.07 -0.75 1.93 -1.00 -2.47 0.00 0.00 174.74 172.38 1ggi h PRO 213 N 6.10 1.09 -5.33 2.88 0.13 -1.79 -3.29 132.00 131.79 1ggi h PRO 213 Ca 0.14 -0.07 -0.47 0.00 -0.87 0.00 0.00 66.00 64.74 1ggi h PRO 213 Cb 0.82 -0.25 -0.03 0.00 0.13 0.00 0.00 31.00 31.68 1ggi h PRO 213 CO 0.84 0.72 1.60 0.00 -0.23 0.00 0.00 178.00 180.93 1ggi n ALA 214 N -2.40 2.58 0.00 -0.56 0.00 -1.26 -3.86 120.51 115.01 1ggi n ALA 214 Ca 0.12 -3.28 0.00 0.00 0.00 0.00 0.00 53.44 50.28 1ggi n ALA 214 Cb 0.11 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.03 1ggi n ALA 214 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ggi n SER 215 N 11.69 0.00 -3.10 0.00 3.41 -1.24 -4.73 113.62 119.65 1ggi n SER 215 Ca 0.47 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.73 1ggi n SER 215 Cb 0.45 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.35 1ggi n SER 215 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ggi n SER 216 N 0.00 8.21 -4.64 4.04 3.41 -1.25 -4.66 113.62 118.73 1ggi n SER 216 Ca 0.00 -2.56 -0.42 0.00 -0.26 0.00 0.00 58.87 55.63 1ggi n SER 216 Cb 0.00 -1.54 -0.04 0.00 -0.26 0.00 0.00 64.21 62.38 1ggi n SER 216 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ggi s THR 217 N 1.96 4.78 -0.43 6.66 2.01 -1.26 -4.98 115.64 124.38 1ggi s THR 217 Ca 0.69 1.61 0.02 0.00 0.31 0.00 0.00 61.69 64.33 1ggi s THR 217 Cb 0.20 -4.17 0.15 0.00 0.01 0.00 0.00 72.50 68.69 1ggi s THR 217 CO -0.05 -0.14 0.28 -0.75 -0.69 0.00 0.00 174.62 173.26 1ggi s LYS 218 N 2.97 1.11 -0.27 4.92 2.20 -1.26 -2.11 119.74 127.31 1ggi s LYS 218 Ca 0.37 -1.96 -0.12 0.00 -0.36 0.00 0.00 55.97 53.89 1ggi s LYS 218 Cb -0.15 -1.96 -0.05 0.00 -1.51 0.00 0.00 37.83 34.16 1ggi s LYS 218 CO 0.08 -1.23 0.25 0.08 -0.36 0.00 0.00 175.35 174.17 1ggi s VAL 219 N 0.32 5.27 -1.10 4.02 1.01 0.11 -4.96 120.40 125.07 1ggi s VAL 219 Ca 0.22 0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.43 1ggi s VAL 219 Cb -0.16 -3.59 0.28 0.00 0.00 0.00 0.00 36.38 32.91 1ggi s VAL 219 CO -0.05 0.23 1.09 -0.62 0.00 0.00 0.00 175.10 175.75 1ggi s ASP 220 N 1.62 7.24 -0.37 3.32 -1.08 -1.26 -0.44 116.67 125.70 1ggi s ASP 220 Ca 0.10 -3.63 -0.20 0.00 -0.52 0.00 0.00 52.55 48.31 1ggi s ASP 220 Cb -0.16 -2.19 0.01 0.00 -1.46 0.00 0.00 42.92 39.12 1ggi s ASP 220 CO 0.10 -0.27 0.60 -0.54 0.52 0.00 0.00 175.17 175.58 1ggi s LYS 221 N -1.30 3.58 0.17 4.34 -0.14 0.67 -4.84 119.74 122.22 1ggi s LYS 221 Ca 0.31 -0.10 -0.30 0.00 -1.36 0.00 0.00 55.97 54.52 1ggi s LYS 221 Cb -0.10 -3.84 -0.08 0.00 -1.68 0.00 0.00 37.83 32.14 1ggi s LYS 221 CO -0.08 -0.76 1.14 0.21 -0.76 0.00 0.00 175.35 175.09 1ggi s LYS 222 N 2.63 4.55 -1.06 1.68 2.20 -1.26 -0.58 119.74 127.90 1ggi s LYS 222 Ca 0.22 1.77 -0.19 0.00 -0.36 0.00 0.00 55.97 57.41 1ggi s LYS 222 Cb -0.15 -3.27 0.11 0.00 -1.51 0.00 0.00 37.83 33.01 1ggi s LYS 222 CO 0.15 0.00 1.36 0.42 -0.36 0.00 0.00 175.35 176.93 1ggi s ILE 223 N -0.10 4.47 0.09 5.43 -1.09 -0.75 -4.92 121.20 124.32 1ggi s ILE 223 Ca 0.51 -1.59 -0.31 0.00 -2.23 0.00 0.00 60.65 57.03 1ggi s ILE 223 Cb -0.30 -4.95 -0.06 0.00 -1.58 0.00 0.00 42.46 35.57 1ggi s ILE 223 CO 0.35 -1.73 1.26 -1.61 -1.23 0.00 0.00 174.94 171.98 1ggi s GLU 226 N 3.36 4.40 0.01 2.79 8.01 -1.26 -4.72 118.70 131.29 1ggi s GLU 226 Ca 0.41 1.87 -0.30 0.00 0.01 0.00 0.00 54.97 56.97 1ggi s GLU 226 Cb -0.02 -3.31 -0.07 0.00 -4.31 0.00 0.00 34.13 26.42 1ggi s GLU 226 CO -0.05 -0.30 1.78 -1.25 0.01 0.00 0.00 175.26 175.45 1ggi s PRO 227 N 0.99 4.17 0.00 0.39 0.04 -1.26 -4.90 135.00 134.43 1ggi s PRO 227 Ca 0.60 2.40 0.26 0.00 0.04 0.00 0.00 61.00 64.29 1ggi s PRO 227 Cb -0.32 -3.97 0.53 0.00 0.04 0.00 0.00 34.50 30.77 1ggi s PRO 227 CO 0.30 -0.87 1.45 2.89 0.04 0.00 0.00 177.00 180.81