#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ghw s VAL 2 N 0.00 4.88 0.01 6.31 1.01 -1.26 -4.20 120.40 127.15 2ghw s VAL 2 Ca 0.00 1.95 0.05 0.00 0.00 0.00 0.00 61.98 63.98 2ghw s VAL 2 Cb 0.00 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 2ghw s VAL 2 CO 0.00 0.14 -0.15 -1.10 0.00 0.00 0.00 175.10 173.99 2ghw s GLN 3 N 1.21 1.11 -0.22 2.72 1.11 -0.24 -4.99 119.66 120.36 2ghw s GLN 3 Ca 0.49 -0.60 -0.01 0.00 0.01 0.00 0.00 55.36 55.24 2ghw s GLN 3 Cb -0.20 -1.09 0.06 0.00 -1.01 0.00 0.00 33.01 30.77 2ghw s GLN 3 CO 0.24 0.29 0.01 -0.51 0.01 0.00 0.00 175.29 175.33 2ghw s LEU 4 N -0.61 1.81 -0.26 2.90 1.43 -1.26 -1.10 118.68 121.59 2ghw s LEU 4 Ca 0.05 -1.04 -0.05 0.00 -1.03 0.00 0.00 54.13 52.06 2ghw s LEU 4 Cb -0.06 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.32 2ghw s LEU 4 CO 0.00 -0.29 0.02 -0.69 0.23 0.00 0.00 176.35 175.62 2ghw s VAL 5 N 1.66 3.65 0.25 -1.59 1.01 -0.55 -3.71 120.40 121.12 2ghw s VAL 5 Ca -0.02 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 2ghw s VAL 5 Cb -0.18 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 2ghw s VAL 5 CO -0.09 0.21 0.50 -1.10 0.00 0.00 0.00 175.10 174.62 2ghw s GLN 6 N 1.47 3.62 0.09 2.72 -0.21 -1.26 -0.93 119.66 125.15 2ghw s GLN 6 Ca 0.03 -0.06 -0.13 0.00 0.02 0.00 0.00 55.36 55.22 2ghw s GLN 6 Cb -0.16 -2.71 0.02 0.00 1.00 0.00 0.00 33.01 31.16 2ghw s GLN 6 CO -0.00 0.29 0.30 -1.54 -2.12 0.00 0.00 175.29 172.21 2ghw s SER 7 N -3.04 -0.08 0.00 5.90 1.04 -0.67 -4.97 113.70 111.88 2ghw s SER 7 Ca 0.43 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2ghw s SER 7 Cb -0.11 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2ghw s SER 7 CO 0.29 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2ghw n GLY 8 N 0.10 1.50 0.00 7.32 0.00 -1.26 -1.39 105.19 111.46 2ghw n GLY 8 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2ghw n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ghw n GLY 9 N -0.32 1.32 0.00 -0.02 0.00 -1.26 -4.54 105.19 100.37 2ghw n GLY 9 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2ghw n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ghw n GLY 10 N 5.00 -1.88 3.74 -0.02 0.00 -0.01 -4.97 105.19 107.04 2ghw n GLY 10 Ca 0.00 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.40 2ghw n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ghw s VAL 11 N -0.98 4.62 0.08 1.61 1.01 -1.26 -2.20 120.40 123.28 2ghw s VAL 11 Ca 0.00 1.82 0.01 0.00 0.00 0.00 0.00 61.98 63.81 2ghw s VAL 11 Cb 0.00 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2ghw s VAL 11 CO 0.00 0.35 -0.06 0.68 0.00 0.00 0.00 175.10 176.07 2ghw s VAL 12 N -0.06 0.54 0.43 2.92 -7.23 0.23 -4.96 120.40 112.27 2ghw s VAL 12 Ca 0.42 -1.75 -0.08 0.00 -1.81 0.00 0.00 61.98 58.76 2ghw s VAL 12 Cb -0.22 -1.44 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 2ghw s VAL 12 CO 0.26 -0.82 0.77 -1.10 -0.31 0.00 0.00 175.10 173.91 2ghw s GLN 13 N -3.44 3.69 0.28 4.82 -1.52 -1.26 0.33 119.66 122.55 2ghw s GLN 13 Ca 0.07 0.37 -0.30 0.00 -1.95 0.00 0.00 55.36 53.54 2ghw s GLN 13 Cb 0.03 -2.39 -0.13 0.00 -0.22 0.00 0.00 33.01 30.31 2ghw s GLN 13 CO -0.05 -0.10 1.46 -2.30 -0.25 0.00 0.00 175.29 174.04 2ghw n PRO 14 N -1.65 2.29 -0.60 2.91 -0.02 -1.26 -2.78 135.00 133.88 2ghw n PRO 14 Ca 0.02 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2ghw n PRO 14 Cb 0.54 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2ghw n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ghw n GLY 15 N 1.90 0.79 4.00 -1.23 0.00 0.81 -4.91 105.19 106.55 2ghw n GLY 15 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 2ghw n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ghw s LYS 16 N -0.40 2.27 0.32 1.61 1.02 -1.12 -4.30 119.74 119.15 2ghw s LYS 16 Ca 0.00 -1.21 0.08 0.00 0.02 0.00 0.00 55.97 54.86 2ghw s LYS 16 Cb 0.00 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 2ghw s LYS 16 CO 0.00 -0.90 0.16 -1.12 -0.92 0.00 0.00 175.35 172.57 2ghw s SER 17 N -4.57 4.83 -0.29 2.83 0.01 -1.26 -1.88 113.70 113.37 2ghw s SER 17 Ca 0.61 -0.67 -0.18 0.00 1.31 0.00 0.00 55.95 57.02 2ghw s SER 17 Cb -0.07 -0.83 0.15 0.00 0.21 0.00 0.00 66.02 65.47 2ghw s SER 17 CO 0.39 -0.26 1.01 -0.22 0.41 0.00 0.00 173.24 174.57 2ghw s LEU 18 N -3.85 -0.47 -0.08 2.44 1.98 -0.10 -5.01 118.68 113.59 2ghw s LEU 18 Ca 0.37 0.77 0.02 0.00 -2.89 0.00 0.00 54.13 52.41 2ghw s LEU 18 Cb -0.04 1.72 -0.02 0.00 0.66 0.00 0.00 46.19 48.51 2ghw s LEU 18 CO 0.23 -0.12 -0.14 -0.60 -1.89 0.00 0.00 176.35 173.83 2ghw s ARG 19 N 1.14 2.87 0.04 1.98 3.52 -1.26 0.53 118.95 127.76 2ghw s ARG 19 Ca -0.07 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 54.86 2ghw s ARG 19 Cb -0.04 -2.48 -0.04 0.00 -1.56 0.00 0.00 34.95 30.83 2ghw s ARG 19 CO -0.13 0.45 0.02 -0.51 -0.81 0.00 0.00 175.30 174.31 2ghw s LEU 20 N -0.27 3.57 0.07 -0.88 1.43 0.13 -4.70 118.68 118.02 2ghw s LEU 20 Ca 0.02 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.16 2ghw s LEU 20 Cb -0.13 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 2ghw s LEU 20 CO 0.03 0.23 -0.22 -0.44 0.23 0.00 0.00 176.35 176.18 2ghw s SER 21 N -1.90 2.67 -0.19 2.29 0.01 -0.49 -1.65 113.70 114.45 2ghw s SER 21 Ca 0.23 -0.60 -0.04 0.00 1.31 0.00 0.00 55.95 56.86 2ghw s SER 21 Cb -0.12 -0.20 0.06 0.00 0.21 0.00 0.00 66.02 65.97 2ghw s SER 21 CO 0.14 0.15 0.06 0.00 0.41 0.00 0.00 173.24 174.01 2ghw s ALA 23 N 1.97 3.61 0.01 0.00 0.00 -0.11 -1.02 121.76 126.23 2ghw s ALA 23 Ca 0.01 -0.35 -0.14 0.00 0.00 0.00 0.00 51.96 51.48 2ghw s ALA 23 Cb -0.17 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 2ghw s ALA 23 CO -0.10 -0.90 0.41 0.00 0.00 0.00 0.00 175.76 175.16 2ghw s ALA 24 N 2.67 3.70 0.15 0.00 0.00 -0.05 -1.48 121.76 126.76 2ghw s ALA 24 Ca 0.30 -0.24 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 2ghw s ALA 24 Cb -0.15 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 2ghw s ALA 24 CO 0.09 0.49 0.22 -1.54 0.00 0.00 0.00 175.76 175.02 2ghw s SER 25 N -1.19 0.12 0.00 0.00 1.04 -0.26 -4.89 113.70 108.52 2ghw s SER 25 Ca 0.25 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.73 2ghw s SER 25 Cb -0.16 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2ghw s SER 25 CO 0.14 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2ghw n GLY 26 N -0.18 0.59 3.74 7.32 0.00 -1.26 -1.07 105.19 114.33 2ghw n GLY 26 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 2ghw n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ghw s PHE 27 N -2.01 0.03 -1.30 1.61 -0.12 -1.26 -4.24 117.98 110.69 2ghw s PHE 27 Ca 0.00 -0.44 -0.18 0.00 -0.05 0.00 0.00 56.93 56.26 2ghw s PHE 27 Cb 0.00 0.49 0.07 0.00 -0.63 0.00 0.00 43.02 42.95 2ghw s PHE 27 CO 0.00 -1.13 1.75 0.00 -0.05 0.00 0.00 175.22 175.79 2ghw n ALA 28 N -0.42 3.61 -0.35 1.99 0.00 -1.26 -4.83 120.51 119.24 2ghw n ALA 28 Ca -0.03 -3.85 0.23 0.00 0.00 0.00 0.00 53.44 49.78 2ghw n ALA 28 Cb 0.60 -3.60 0.48 0.00 0.00 0.00 0.00 19.45 16.93 2ghw n ALA 28 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2ghw h PHE 29 N 7.52 0.81 0.00 0.00 3.57 -1.95 0.13 116.94 127.02 2ghw h PHE 29 Ca 0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.98 2ghw h PHE 29 Cb 0.86 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.38 2ghw h PHE 29 CO 1.43 -0.01 0.00 0.45 -2.23 0.00 0.00 178.31 177.95 2ghw n SER 30 N -4.80 0.00 0.00 0.41 2.88 -1.26 -3.02 113.62 107.83 2ghw n SER 30 Ca 0.28 0.29 0.10 0.00 -1.33 0.00 0.00 58.87 58.21 2ghw n SER 30 Cb 0.91 -0.38 -0.08 0.00 -0.75 0.00 0.00 64.21 63.91 2ghw n SER 30 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ghw n SER 31 N -1.38 0.81 -4.40 -3.46 7.64 0.44 -4.45 113.62 108.81 2ghw n SER 31 Ca 0.04 -0.75 -0.32 0.00 1.01 0.00 0.00 58.87 58.85 2ghw n SER 31 Cb 0.12 1.03 -0.14 0.00 -1.01 0.00 0.00 64.21 64.20 2ghw n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2ghw s TYR 32 N -3.08 2.52 0.77 1.43 1.51 -1.17 -4.85 117.35 114.49 2ghw s TYR 32 Ca 0.06 -0.29 -0.11 0.00 -1.01 0.00 0.00 57.07 55.72 2ghw s TYR 32 Cb 0.16 -1.54 0.06 0.00 -0.11 0.00 0.00 41.96 40.52 2ghw s TYR 32 CO 0.85 0.11 1.10 0.00 -1.11 0.00 0.00 175.55 176.50 2ghw s ALA 33 N -0.72 2.22 0.01 3.71 0.00 -1.26 -3.91 121.76 121.81 2ghw s ALA 33 Ca 0.11 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.44 2ghw s ALA 33 Cb -0.10 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 2ghw s ALA 33 CO 0.01 -1.78 -0.06 -1.64 0.00 0.00 0.00 175.76 172.29 2ghw s MET 34 N -4.74 0.45 0.19 0.00 -1.94 -0.90 -1.66 119.30 110.70 2ghw s MET 34 Ca 0.63 -0.38 0.11 0.00 -1.71 0.00 0.00 55.69 54.33 2ghw s MET 34 Cb -0.18 -0.35 -0.04 0.00 2.01 0.00 0.00 34.83 36.26 2ghw s MET 34 CO 0.54 0.09 -0.22 -1.01 -0.01 0.00 0.00 175.02 174.40 2ghw s HIS 35 N -0.57 2.19 -0.11 -0.03 3.76 0.33 -1.48 115.29 119.38 2ghw s HIS 35 Ca -0.02 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 2ghw s HIS 35 Cb -0.05 -1.07 -0.01 0.00 1.11 0.00 0.00 32.58 32.55 2ghw s HIS 35 CO 0.00 0.48 -0.16 -1.58 -0.85 0.00 0.00 174.74 172.63 2ghw s TRP 36 N -1.83 2.72 0.08 1.40 0.52 0.74 -1.24 118.94 121.33 2ghw s TRP 36 Ca 0.20 -0.64 0.05 0.00 0.02 0.00 0.00 56.10 55.74 2ghw s TRP 36 Cb -0.07 -1.77 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 2ghw s TRP 36 CO 0.10 -0.18 -0.14 0.08 0.02 0.00 0.00 176.95 176.82 2ghw s VAL 37 N 0.13 1.14 0.15 4.03 1.01 -0.43 -0.29 120.40 126.14 2ghw s VAL 37 Ca -0.08 -1.37 0.04 0.00 0.00 0.00 0.00 61.98 60.57 2ghw s VAL 37 Cb -0.15 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2ghw s VAL 37 CO 0.05 -0.26 -0.09 0.00 0.00 0.00 0.00 175.10 174.81 2ghw s ARG 38 N -1.90 1.07 -0.18 2.72 1.70 0.17 -0.07 118.95 122.45 2ghw s ARG 38 Ca -0.00 -1.46 -0.05 0.00 -0.47 0.00 0.00 55.73 53.75 2ghw s ARG 38 Cb -0.09 -0.57 0.06 0.00 -0.57 0.00 0.00 34.95 33.78 2ghw s ARG 38 CO 0.02 0.04 0.08 -1.14 -1.08 0.00 0.00 175.30 173.23 2ghw s GLN 39 N -3.77 0.18 0.48 3.89 0.74 0.10 0.38 119.66 121.67 2ghw s GLN 39 Ca 0.17 -0.18 -0.23 0.00 0.05 0.00 0.00 55.36 55.17 2ghw s GLN 39 Cb 0.03 -1.83 -0.07 0.00 1.10 0.00 0.00 33.01 32.24 2ghw s GLN 39 CO 0.01 -0.69 1.32 0.00 -0.55 0.00 0.00 175.29 175.38 2ghw s ALA 40 N 2.08 3.01 0.16 1.58 0.00 -1.26 -0.51 121.76 126.82 2ghw s ALA 40 Ca 0.02 1.26 -0.34 0.00 0.00 0.00 0.00 51.96 52.90 2ghw s ALA 40 Cb -0.16 -3.52 -0.15 0.00 0.00 0.00 0.00 23.12 19.29 2ghw s ALA 40 CO -0.11 -1.10 1.39 -0.35 0.00 0.00 0.00 175.76 175.59 2ghw n PRO 41 N -0.55 1.62 -1.42 0.00 -0.04 -1.26 -1.50 135.00 131.85 2ghw n PRO 41 Ca 0.07 0.58 -0.14 0.00 -0.04 0.00 0.00 63.50 63.97 2ghw n PRO 41 Cb 0.45 -2.24 -0.06 0.00 -0.04 0.00 0.00 33.50 31.61 2ghw n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ghw n GLY 42 N 2.61 1.45 2.41 0.55 0.00 -1.26 -4.97 105.19 105.98 2ghw n GLY 42 Ca 0.16 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2ghw n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ghw n LYS 43 N -2.07 0.35 -1.42 1.61 5.02 -0.57 -5.17 118.16 115.93 2ghw n LYS 43 Ca -0.14 -2.51 -0.30 0.00 -2.02 0.00 0.00 58.31 53.34 2ghw n LYS 43 Cb 0.54 1.96 0.10 0.00 -0.02 0.00 0.00 35.03 37.61 2ghw n LYS 43 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2ghw s GLY 44 N -2.76 1.64 0.30 0.72 0.00 -1.26 -4.58 107.32 101.37 2ghw s GLY 44 Ca 0.28 -0.05 -0.28 0.00 0.00 0.00 0.00 44.72 44.66 2ghw s GLY 44 CO 0.20 0.36 1.06 1.08 0.00 0.00 0.00 173.10 175.80 2ghw s LEU 45 N -5.89 4.46 -0.06 0.66 1.43 -1.26 -4.07 118.68 113.96 2ghw s LEU 45 Ca 0.61 2.16 -0.01 0.00 -1.03 0.00 0.00 54.13 55.86 2ghw s LEU 45 Cb -0.16 -3.77 0.03 0.00 0.03 0.00 0.00 46.19 42.32 2ghw s LEU 45 CO 0.55 -0.18 -0.01 -0.70 0.23 0.00 0.00 176.35 176.24 2ghw s GLU 46 N -1.67 0.63 0.28 1.70 2.12 0.16 -4.20 118.70 117.72 2ghw s GLU 46 Ca 0.47 0.05 -0.29 0.00 0.36 0.00 0.00 54.97 55.56 2ghw s GLU 46 Cb -0.28 -0.89 -0.10 0.00 0.26 0.00 0.00 34.13 33.12 2ghw s GLU 46 CO 0.36 -0.23 1.22 -0.46 -0.54 0.00 0.00 175.26 175.60 2ghw s TRP 47 N 1.63 3.31 -0.03 5.30 -0.00 -1.26 0.41 118.94 128.30 2ghw s TRP 47 Ca -0.00 1.50 -0.06 0.00 -0.00 0.00 0.00 56.10 57.54 2ghw s TRP 47 Cb -0.13 -3.50 -0.03 0.00 -0.00 0.00 0.00 33.47 29.82 2ghw s TRP 47 CO -0.04 -1.30 -0.13 0.28 -0.00 0.00 0.00 176.95 175.77 2ghw n VAL 48 N 1.33 1.12 -3.57 5.86 0.31 0.61 -4.66 118.33 119.32 2ghw n VAL 48 Ca 0.01 0.19 -0.15 0.00 -0.01 0.00 0.00 64.34 64.38 2ghw n VAL 48 Cb 0.43 -1.80 -0.06 0.00 -0.91 0.00 0.00 33.84 31.51 2ghw n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ghw s ALA 49 N -2.29 -1.40 0.02 3.52 0.00 -0.82 0.98 121.76 121.78 2ghw s ALA 49 Ca -0.11 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.61 2ghw s ALA 49 Cb 0.03 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 2ghw s ALA 49 CO 0.16 -0.46 -0.07 0.54 0.00 0.00 0.00 175.76 175.92 2ghw s VAL 50 N -2.11 0.54 -0.03 0.00 0.11 0.80 -0.18 120.40 119.53 2ghw s VAL 50 Ca -0.07 -0.61 0.04 0.00 -2.93 0.00 0.00 61.98 58.41 2ghw s VAL 50 Cb -0.01 -0.52 -0.00 0.00 -1.53 0.00 0.00 36.38 34.32 2ghw s VAL 50 CO 0.01 -0.07 -0.15 -0.51 -3.33 0.00 0.00 175.10 171.06 2ghw s ILE 51 N -0.65 1.22 0.86 7.04 2.07 -0.55 -0.99 121.20 130.20 2ghw s ILE 51 Ca -0.02 -0.61 -0.10 0.00 -1.41 0.00 0.00 60.65 58.50 2ghw s ILE 51 Cb -0.06 -1.05 0.11 0.00 0.13 0.00 0.00 42.46 41.60 2ghw s ILE 51 CO 0.00 0.36 1.12 -0.94 -1.91 0.00 0.00 174.94 173.57 2ghw s SER 52 N 0.01 3.57 0.33 4.50 1.04 -0.38 -2.11 113.70 120.67 2ghw s SER 52 Ca -0.02 1.99 0.11 0.00 0.48 0.00 0.00 55.95 58.51 2ghw s SER 52 Cb -0.10 -2.53 0.90 0.00 0.10 0.00 0.00 66.02 64.39 2ghw s SER 52 CO 0.01 -2.66 1.75 0.10 0.98 0.00 0.00 173.24 173.43 2ghw h TYR 53 N -1.56 0.94 -0.02 5.02 -0.00 -1.87 -0.81 116.97 118.68 2ghw h TYR 53 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.32 2ghw h TYR 53 Cb 1.25 -0.28 0.00 0.00 0.00 0.00 0.00 36.73 37.71 2ghw h TYR 53 CO 0.53 0.11 -0.16 -0.40 -0.00 0.00 0.00 178.16 178.24 2ghw n ASP 54 N -4.79 2.07 0.00 0.10 5.75 -1.26 -4.64 116.55 113.78 2ghw n ASP 54 Ca 0.25 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 2ghw n ASP 54 Cb 0.72 0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.95 2ghw n ASP 54 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ghw n GLY 55 N 1.32 1.36 0.47 6.12 0.00 -0.31 -4.94 105.19 109.21 2ghw n GLY 55 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 2ghw n GLY 55 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ghw h SER 56 N 0.00 -1.09 -3.77 1.61 0.87 -1.93 -3.44 113.55 105.80 2ghw h SER 56 Ca 0.00 0.06 -0.68 0.00 -1.23 0.00 0.00 61.79 59.94 2ghw h SER 56 Cb 0.00 0.31 -0.19 0.00 -0.44 0.00 0.00 62.40 62.08 2ghw h SER 56 CO 0.00 -0.69 -0.79 0.54 -0.53 0.00 0.00 176.83 175.35 2ghw s ASN 57 N -4.23 3.92 -0.04 6.23 4.22 -1.26 -5.02 114.94 118.76 2ghw s ASN 57 Ca -0.19 -0.50 -0.05 0.00 -2.14 0.00 0.00 52.86 49.98 2ghw s ASN 57 Cb 0.03 -0.60 0.01 0.00 1.28 0.00 0.00 41.25 41.97 2ghw s ASN 57 CO 0.61 0.20 0.12 -1.59 -2.04 0.00 0.00 177.10 174.40 2ghw s LYS 58 N -1.95 0.21 0.03 3.55 -2.85 -1.26 -1.25 119.74 116.21 2ghw s LYS 58 Ca 0.17 0.05 0.03 0.00 -1.00 0.00 0.00 55.97 55.23 2ghw s LYS 58 Cb -0.11 0.10 -0.02 0.00 -2.06 0.00 0.00 37.83 35.74 2ghw s LYS 58 CO 0.09 -0.04 -0.10 0.71 0.10 0.00 0.00 175.35 176.11 2ghw s TYR 59 N -0.24 0.90 0.13 1.78 1.51 -0.16 -5.00 117.35 116.27 2ghw s TYR 59 Ca -0.03 -0.32 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 2ghw s TYR 59 Cb -0.02 -0.55 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 2ghw s TYR 59 CO 0.00 -0.01 -0.10 0.71 -1.11 0.00 0.00 175.55 175.04 2ghw s TYR 60 N -0.77 1.19 0.56 2.71 1.51 -1.26 -0.14 117.35 121.15 2ghw s TYR 60 Ca -0.01 -0.72 -0.19 0.00 -1.01 0.00 0.00 57.07 55.13 2ghw s TYR 60 Cb -0.07 -0.62 -0.05 0.00 -0.11 0.00 0.00 41.96 41.11 2ghw s TYR 60 CO 0.01 0.05 1.17 0.00 -1.11 0.00 0.00 175.55 175.66 2ghw s ALA 61 N -3.00 2.65 0.43 3.71 0.00 0.28 -4.89 121.76 120.93 2ghw s ALA 61 Ca 0.12 0.91 0.11 0.00 0.00 0.00 0.00 51.96 53.10 2ghw s ALA 61 Cb 0.01 -3.40 0.96 0.00 0.00 0.00 0.00 23.12 20.69 2ghw s ALA 61 CO 0.00 -0.93 2.02 -0.44 0.00 0.00 0.00 175.76 176.42 2ghw h ASP 62 N 1.12 0.40 0.10 0.00 5.19 -1.94 -2.03 116.42 119.26 2ghw h ASP 62 Ca -0.50 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.89 2ghw h ASP 62 Cb 1.28 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 2ghw h ASP 62 CO 0.56 0.27 -0.08 0.77 -3.12 0.00 0.00 179.24 177.64 2ghw h SER 63 N 0.46 0.00 -0.04 6.45 4.64 -1.96 -3.11 113.55 119.99 2ghw h SER 63 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2ghw h SER 63 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2ghw h SER 63 CO -0.05 0.08 0.00 1.33 -0.87 0.00 0.00 176.83 177.32 2ghw n VAL 64 N -4.27 0.88 -1.72 0.95 0.24 -0.94 -5.05 118.33 108.42 2ghw n VAL 64 Ca -0.03 -0.94 -0.43 0.00 -2.04 0.00 0.00 64.34 60.91 2ghw n VAL 64 Cb 0.16 0.56 -0.03 0.00 -1.47 0.00 0.00 33.84 33.07 2ghw n VAL 64 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2ghw n LYS 65 N -0.31 2.66 -0.17 7.34 5.02 -0.81 -2.23 118.16 129.66 2ghw n LYS 65 Ca 0.01 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 2ghw n LYS 65 Cb 0.24 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.48 2ghw n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ghw n GLY 66 N 3.33 1.89 0.00 0.72 0.00 -1.26 -4.75 105.19 105.12 2ghw n GLY 66 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 2ghw n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ghw n ARG 67 N -2.00 3.39 -4.16 1.61 1.74 -1.10 -5.01 116.66 111.13 2ghw n ARG 67 Ca 0.00 -0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 2ghw n ARG 67 Cb 0.00 -1.02 -0.08 0.00 -1.02 0.00 0.00 32.46 30.34 2ghw n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2ghw s PHE 68 N -2.02 3.18 -0.06 -1.55 0.40 -0.95 -0.39 117.98 116.58 2ghw s PHE 68 Ca -0.00 0.13 -0.01 0.00 -0.60 0.00 0.00 56.93 56.45 2ghw s PHE 68 Cb 0.00 -1.68 0.03 0.00 0.51 0.00 0.00 43.02 41.88 2ghw s PHE 68 CO 0.03 0.51 -0.01 0.99 0.70 0.00 0.00 175.22 177.44 2ghw s THR 69 N -1.19 0.42 0.01 0.64 2.01 -0.09 -4.88 115.64 112.55 2ghw s THR 69 Ca 0.23 0.05 -0.07 0.00 0.31 0.00 0.00 61.69 62.21 2ghw s THR 69 Cb -0.12 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 2ghw s THR 69 CO 0.14 0.25 0.27 -0.51 -0.69 0.00 0.00 174.62 174.08 2ghw s ILE 70 N 1.66 5.30 0.13 1.82 2.07 -1.26 -0.93 121.20 129.99 2ghw s ILE 70 Ca 0.00 0.17 -0.17 0.00 -1.41 0.00 0.00 60.65 59.25 2ghw s ILE 70 Cb -0.13 -3.57 0.04 0.00 0.13 0.00 0.00 42.46 38.93 2ghw s ILE 70 CO -0.04 0.36 0.42 -0.44 -1.91 0.00 0.00 174.94 173.34 2ghw s SER 71 N -1.71 -0.27 0.04 4.50 0.01 -0.82 -5.00 113.70 110.45 2ghw s SER 71 Ca 0.28 -0.29 -0.07 0.00 1.31 0.00 0.00 55.95 57.17 2ghw s SER 71 Cb -0.13 0.49 -0.00 0.00 0.21 0.00 0.00 66.02 66.58 2ghw s SER 71 CO 0.16 -0.87 0.14 0.00 0.41 0.00 0.00 173.24 173.08 2ghw s ARG 72 N -3.80 0.62 -0.43 12.44 1.70 -1.26 0.78 118.95 128.99 2ghw s ARG 72 Ca 0.03 -0.68 0.03 0.00 -0.47 0.00 0.00 55.73 54.65 2ghw s ARG 72 Cb 0.01 0.25 0.12 0.00 -0.57 0.00 0.00 34.95 34.76 2ghw s ARG 72 CO -0.12 -0.16 0.16 0.34 -1.08 0.00 0.00 175.30 174.44 2ghw s ASP 73 N -2.04 4.65 0.52 -2.89 -1.08 0.18 -4.98 116.67 111.03 2ghw s ASP 73 Ca -0.06 -2.52 0.26 0.00 -0.52 0.00 0.00 52.55 49.71 2ghw s ASP 73 Cb -0.02 -1.66 1.42 0.00 -1.46 0.00 0.00 42.92 41.21 2ghw s ASP 73 CO -0.04 -0.33 2.07 0.78 0.52 0.00 0.00 175.17 178.17 2ghw h ASN 74 N 7.18 0.00 -0.14 -0.34 2.35 -1.96 0.50 115.58 123.18 2ghw h ASN 74 Ca -0.06 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.55 2ghw h ASN 74 Cb 0.97 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.33 2ghw h ASN 74 CO 0.61 0.12 -0.39 0.77 -1.65 0.00 0.00 177.43 176.89 2ghw h SER 75 N 0.00 0.70 0.13 5.81 4.64 -1.96 -3.24 113.55 119.64 2ghw h SER 75 Ca -0.00 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2ghw h SER 75 Cb 0.32 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2ghw h SER 75 CO 0.02 1.02 -0.50 0.29 -0.87 0.00 0.00 176.83 176.79 2ghw n LYS 76 N -4.04 0.76 -3.67 4.77 5.02 -0.21 -4.97 118.16 115.82 2ghw n LYS 76 Ca -0.02 -0.56 -0.24 0.00 -2.02 0.00 0.00 58.31 55.47 2ghw n LYS 76 Cb 0.52 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 34.10 2ghw n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ghw n ASN 77 N -0.63 -4.89 -4.16 4.39 3.02 0.16 -4.82 115.26 108.33 2ghw n ASN 77 Ca 0.09 -0.64 -0.25 0.00 -0.03 0.00 0.00 54.58 53.75 2ghw n ASN 77 Cb 0.39 -4.67 -0.15 0.00 -0.61 0.00 0.00 39.78 34.74 2ghw n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2ghw s THR 78 N -3.35 1.39 0.01 3.41 2.01 -0.98 -0.87 115.64 117.27 2ghw s THR 78 Ca 0.47 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.76 2ghw s THR 78 Cb -0.22 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 2ghw s THR 78 CO 0.76 0.40 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.84 2ghw s LEU 79 N -0.32 3.34 0.10 4.42 2.96 -0.19 0.49 118.68 129.48 2ghw s LEU 79 Ca 0.05 -0.10 0.06 0.00 -0.22 0.00 0.00 54.13 53.91 2ghw s LEU 79 Cb -0.08 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 2ghw s LEU 79 CO -0.00 0.27 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.84 2ghw s TYR 80 N -1.07 1.35 -0.17 5.38 2.02 0.23 -0.65 117.35 124.45 2ghw s TYR 80 Ca 0.19 -0.50 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 2ghw s TYR 80 Cb -0.11 -0.74 0.05 0.00 -0.40 0.00 0.00 41.96 40.76 2ghw s TYR 80 CO 0.10 0.11 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.98 2ghw s LEU 81 N -2.06 1.62 -0.42 -1.29 2.96 -0.66 -1.94 118.68 116.89 2ghw s LEU 81 Ca 0.04 -0.72 -0.20 0.00 -0.22 0.00 0.00 54.13 53.03 2ghw s LEU 81 Cb -0.08 -0.88 0.02 0.00 0.50 0.00 0.00 46.19 45.75 2ghw s LEU 81 CO 0.03 -0.21 0.61 -1.58 -1.32 0.00 0.00 176.35 173.88 2ghw s GLN 82 N 1.65 3.35 -0.31 1.98 2.00 -0.10 0.19 119.66 128.42 2ghw s GLN 82 Ca -0.00 -0.34 -0.10 0.00 -2.00 0.00 0.00 55.36 52.93 2ghw s GLN 82 Cb -0.16 -3.92 -0.01 0.00 0.80 0.00 0.00 33.01 29.72 2ghw s GLN 82 CO -0.07 -0.93 0.15 -1.64 -0.50 0.00 0.00 175.29 172.30 2ghw s MET 83 N 2.70 3.42 0.39 1.67 -1.94 0.19 -0.92 119.30 124.80 2ghw s MET 83 Ca 0.21 -0.67 0.08 0.00 -1.71 0.00 0.00 55.69 53.61 2ghw s MET 83 Cb -0.15 -3.57 -0.05 0.00 2.01 0.00 0.00 34.83 33.08 2ghw s MET 83 CO 0.17 -0.38 0.16 -0.80 -0.01 0.00 0.00 175.02 174.16 2ghw s ASN 84 N 1.63 4.47 -1.49 3.03 0.01 0.48 -0.92 114.94 122.15 2ghw s ASN 84 Ca 0.05 -0.99 -0.06 0.00 -0.71 0.00 0.00 52.86 51.15 2ghw s ASN 84 Cb -0.17 -0.54 0.05 0.00 0.41 0.00 0.00 41.25 41.00 2ghw s ASN 84 CO 0.07 -0.46 0.60 -1.20 -1.51 0.00 0.00 177.10 174.60 2ghw n SER 85 N -1.19 -1.66 -4.70 -1.22 7.64 -1.22 -4.66 113.62 106.61 2ghw n SER 85 Ca -0.02 -0.97 -0.41 0.00 1.01 0.00 0.00 58.87 58.49 2ghw n SER 85 Cb 0.63 -3.14 0.01 0.00 -1.01 0.00 0.00 64.21 60.71 2ghw n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ghw n LEU 86 N -4.42 4.11 -4.27 -3.43 4.32 -0.79 -4.54 117.00 107.98 2ghw n LEU 86 Ca -0.17 1.09 -0.17 0.00 -0.02 0.00 0.00 56.01 56.74 2ghw n LEU 86 Cb 0.62 -1.50 -0.11 0.00 -1.62 0.00 0.00 43.42 40.81 2ghw n LEU 86 CO 0.78 -0.67 -0.44 -0.60 -1.22 0.00 0.00 177.39 175.23 2ghw s ARG 87 N -2.26 1.10 0.34 3.23 3.52 -1.26 -0.13 118.95 123.49 2ghw s ARG 87 Ca 0.62 -1.36 0.04 0.00 -0.13 0.00 0.00 55.73 54.90 2ghw s ARG 87 Cb -0.50 -0.90 0.62 0.00 -1.56 0.00 0.00 34.95 32.61 2ghw s ARG 87 CO 0.57 0.16 1.92 0.00 -0.81 0.00 0.00 175.30 177.14 2ghw h ALA 88 N 3.17 1.43 0.00 6.12 0.00 -1.93 -1.09 119.26 126.96 2ghw h ALA 88 Ca -0.39 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2ghw h ALA 88 Cb 1.20 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2ghw h ALA 88 CO 0.55 0.42 0.00 1.05 0.00 0.00 0.00 179.25 181.28 2ghw h GLU 89 N 0.61 0.00 0.00 0.00 -0.00 -1.96 -2.20 114.58 111.03 2ghw h GLU 89 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.50 2ghw h GLU 89 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.94 2ghw h GLU 89 CO -0.01 0.00 0.00 -0.25 -0.00 0.00 0.00 179.01 178.75 2ghw n ASP 90 N -2.72 0.00 -4.65 3.06 8.00 -0.41 -4.78 116.55 115.04 2ghw n ASP 90 Ca 0.00 0.04 -0.42 0.00 0.71 0.00 0.00 54.79 55.12 2ghw n ASP 90 Cb 0.20 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 2ghw n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ghw s THR 91 N -2.70 3.37 -0.21 -3.53 2.01 -0.83 -4.85 115.64 108.90 2ghw s THR 91 Ca 0.24 0.44 -0.33 0.00 0.31 0.00 0.00 61.69 62.35 2ghw s THR 91 Cb 0.20 -3.30 0.15 0.00 0.01 0.00 0.00 72.50 69.56 2ghw s THR 91 CO 0.48 -0.06 1.22 0.00 -0.69 0.00 0.00 174.62 175.57 2ghw s ALA 92 N 4.50 -2.06 -0.20 7.40 0.00 -0.91 -4.39 121.76 126.09 2ghw s ALA 92 Ca 0.80 1.67 -0.27 0.00 0.00 0.00 0.00 51.96 54.16 2ghw s ALA 92 Cb -0.36 -0.55 -0.00 0.00 0.00 0.00 0.00 23.12 22.21 2ghw s ALA 92 CO 0.34 -0.46 0.95 0.08 0.00 0.00 0.00 175.76 176.67 2ghw s VAL 93 N -1.88 4.77 -0.11 0.00 1.01 0.33 -1.63 120.40 122.88 2ghw s VAL 93 Ca 0.08 1.86 -0.10 0.00 0.00 0.00 0.00 61.98 63.81 2ghw s VAL 93 Cb -0.01 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 2ghw s VAL 93 CO -0.05 -0.09 0.22 -0.31 0.00 0.00 0.00 175.10 174.87 2ghw s TYR 94 N 2.75 3.58 -0.09 5.22 1.51 0.28 -0.72 117.35 129.88 2ghw s TYR 94 Ca 0.42 0.61 0.03 0.00 -1.01 0.00 0.00 57.07 57.11 2ghw s TYR 94 Cb -0.16 -2.11 0.01 0.00 -0.11 0.00 0.00 41.96 39.59 2ghw s TYR 94 CO 0.09 0.58 -0.20 0.71 -1.11 0.00 0.00 175.55 175.62 2ghw s TYR 95 N -0.61 2.25 0.36 2.71 2.02 0.90 -1.21 117.35 123.78 2ghw s TYR 95 Ca 0.16 -0.93 -0.13 0.00 -0.37 0.00 0.00 57.07 55.79 2ghw s TYR 95 Cb -0.13 -1.54 -0.08 0.00 -0.40 0.00 0.00 41.96 39.81 2ghw s TYR 95 CO 0.05 -0.40 0.75 0.00 -1.57 0.00 0.00 175.55 174.38 2ghw s ALA 97 N -2.15 -1.08 0.17 0.00 0.00 -0.37 -1.06 121.76 117.27 2ghw s ALA 97 Ca 0.53 1.48 -0.30 0.00 0.00 0.00 0.00 51.96 53.67 2ghw s ALA 97 Cb -0.10 -0.89 -0.08 0.00 0.00 0.00 0.00 23.12 22.05 2ghw s ALA 97 CO 0.23 -0.25 1.21 0.50 0.00 0.00 0.00 175.76 177.44 2ghw s ARG 98 N 1.12 4.48 0.28 0.00 3.52 -0.02 -0.51 118.95 127.81 2ghw s ARG 98 Ca -0.07 1.87 -0.29 0.00 -0.13 0.00 0.00 55.73 57.10 2ghw s ARG 98 Cb -0.07 -3.25 -0.10 0.00 -1.56 0.00 0.00 34.95 29.97 2ghw s ARG 98 CO -0.10 -0.12 1.14 0.34 -0.81 0.00 0.00 175.30 175.75 2ghw s ASP 99 N 0.29 7.18 -0.48 -2.12 2.15 -0.66 -2.38 116.67 120.63 2ghw s ASP 99 Ca 0.54 2.33 0.07 0.00 0.43 0.00 0.00 52.55 55.92 2ghw s ASP 99 Cb -0.32 -2.63 0.23 0.00 -0.30 0.00 0.00 42.92 39.90 2ghw s ASP 99 CO 0.35 -0.22 0.55 -1.14 -0.17 0.00 0.00 175.17 174.55 2ghw n ARG 100 N 1.22 1.20 -4.14 4.34 0.63 0.98 -4.74 116.66 116.15 2ghw n ARG 100 Ca -0.01 -3.69 -0.37 0.00 -0.92 0.00 0.00 57.85 52.86 2ghw n ARG 100 Cb 0.44 -1.64 -0.03 0.00 0.45 0.00 0.00 32.46 31.68 2ghw n ARG 100 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2ghw n SER 101 N 1.52 -1.69 -0.56 6.15 7.64 -1.26 -1.72 113.62 123.70 2ghw n SER 101 Ca 0.25 -1.24 -0.07 0.00 1.01 0.00 0.00 58.87 58.81 2ghw n SER 101 Cb 0.48 -1.90 -0.03 0.00 -1.01 0.00 0.00 64.21 61.75 2ghw n SER 101 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2ghw n TYR 102 N -4.74 0.00 -3.42 1.43 4.02 -1.26 -5.02 117.16 108.16 2ghw n TYR 102 Ca -0.22 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.48 2ghw n TYR 102 Cb 0.63 -1.81 -0.00 0.00 -0.02 0.00 0.00 39.34 38.14 2ghw n TYR 102 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2ghw s TYR 103 N -2.03 3.11 -0.28 -0.72 4.12 -0.70 -4.62 117.35 116.22 2ghw s TYR 103 Ca 0.00 -0.20 0.03 0.00 0.02 0.00 0.00 57.07 56.91 2ghw s TYR 103 Cb 0.00 -2.03 0.07 0.00 -1.52 0.00 0.00 41.96 38.49 2ghw s TYR 103 CO 0.00 -0.05 -0.03 -0.51 0.02 0.00 0.00 175.55 174.98 2ghw s LEU 104 N -4.20 3.56 0.16 -1.29 1.43 -1.26 -0.01 118.68 117.07 2ghw s LEU 104 Ca 0.46 -1.59 0.19 0.00 -1.03 0.00 0.00 54.13 52.16 2ghw s LEU 104 Cb -0.10 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2ghw s LEU 104 CO 0.32 -0.27 1.01 -2.24 0.23 0.00 0.00 176.35 175.39 2ghw h ASP 105 N 7.79 0.00 -3.72 2.29 3.04 -1.78 -3.40 116.42 120.63 2ghw h ASP 105 Ca -0.14 0.00 -0.22 0.00 -3.24 0.00 0.00 57.03 53.44 2ghw h ASP 105 Cb 1.04 0.00 -0.28 0.00 -1.04 0.00 0.00 39.33 39.05 2ghw h ASP 105 CO 0.47 0.30 -0.62 -0.31 -2.04 0.00 0.00 179.24 177.04 2ghw s TYR 106 N -3.12 -0.09 0.07 4.15 2.02 -1.26 -4.63 117.35 114.48 2ghw s TYR 106 Ca -0.01 0.25 0.07 0.00 -0.37 0.00 0.00 57.07 57.01 2ghw s TYR 106 Cb 0.09 0.01 -0.03 0.00 -0.40 0.00 0.00 41.96 41.63 2ghw s TYR 106 CO 0.79 -0.06 -0.19 -1.58 -1.57 0.00 0.00 175.55 172.94 2ghw s TRP 107 N 0.20 1.67 0.95 2.71 0.52 -1.26 -0.84 118.94 122.90 2ghw s TRP 107 Ca -0.01 -0.40 -0.14 0.00 0.02 0.00 0.00 56.10 55.57 2ghw s TRP 107 Cb -0.02 -0.96 0.17 0.00 -1.15 0.00 0.00 33.47 31.51 2ghw s TRP 107 CO -0.01 0.13 1.17 0.20 0.02 0.00 0.00 176.95 178.47 2ghw s GLY 108 N -1.55 1.61 0.46 0.98 0.00 -0.22 -4.59 107.32 104.01 2ghw s GLY 108 Ca 0.05 -0.72 0.29 0.00 0.00 0.00 0.00 44.72 44.35 2ghw s GLY 108 CO 0.03 -0.08 1.85 0.06 0.00 0.00 0.00 173.10 174.96 2ghw h GLN 109 N -1.65 0.00 0.00 2.90 -0.00 -1.91 -3.43 115.11 111.02 2ghw h GLN 109 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 2ghw h GLN 109 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.79 2ghw h GLN 109 CO 0.54 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.78 2ghw n GLY 110 N 0.34 0.77 2.99 0.06 0.00 -1.26 -4.33 105.19 103.76 2ghw n GLY 110 Ca 0.02 -1.58 -0.22 0.00 0.00 0.00 0.00 46.02 44.23 2ghw n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ghw s THR 111 N -2.30 0.89 -0.10 2.61 -4.23 -0.35 -4.92 115.64 107.24 2ghw s THR 111 Ca 0.00 -0.36 -0.29 0.00 -1.18 0.00 0.00 61.69 59.86 2ghw s THR 111 Cb 0.00 -0.83 -0.01 0.00 1.34 0.00 0.00 72.50 73.00 2ghw s THR 111 CO 0.00 0.29 0.97 -0.22 -0.54 0.00 0.00 174.62 175.12 2ghw s LEU 112 N 0.59 4.25 -0.29 4.79 2.96 -1.26 -0.56 118.68 129.16 2ghw s LEU 112 Ca -0.11 1.47 -0.04 0.00 -0.22 0.00 0.00 54.13 55.24 2ghw s LEU 112 Cb -0.14 -3.49 0.03 0.00 0.50 0.00 0.00 46.19 43.09 2ghw s LEU 112 CO 0.02 -0.41 0.02 -0.69 -1.32 0.00 0.00 176.35 173.97 2ghw s VAL 113 N 1.89 3.39 -0.40 1.68 1.01 -0.65 -0.83 120.40 126.49 2ghw s VAL 113 Ca 0.47 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 2ghw s VAL 113 Cb -0.18 -2.81 0.06 0.00 0.00 0.00 0.00 36.38 33.45 2ghw s VAL 113 CO 0.18 0.04 0.23 -0.89 0.00 0.00 0.00 175.10 174.65 2ghw s THR 114 N 1.38 4.25 -0.49 3.92 2.01 -0.93 -2.13 115.64 123.64 2ghw s THR 114 Ca -0.01 -1.25 -0.26 0.00 0.31 0.00 0.00 61.69 60.48 2ghw s THR 114 Cb -0.18 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 68.83 2ghw s THR 114 CO -0.00 -0.41 0.97 -0.69 -0.69 0.00 0.00 174.62 173.80 2ghw s VAL 115 N 1.45 4.39 0.00 3.82 1.01 -1.26 -0.60 120.40 129.21 2ghw s VAL 115 Ca 0.02 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2ghw s VAL 115 Cb -0.22 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 31.67 2ghw s VAL 115 CO 0.03 -0.94 0.00 -1.54 0.00 0.00 0.00 175.10 172.65 2ghw n SER 116 N 7.39 0.00 -3.91 3.32 3.41 0.15 -4.72 113.62 119.26 2ghw n SER 116 Ca 0.06 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.40 2ghw n SER 116 Cb 0.48 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 2ghw n SER 116 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ghw n SER 117 N 0.00 0.63 0.00 4.04 2.88 -1.26 -4.26 113.62 115.65 2ghw n SER 117 Ca 0.00 -2.17 0.00 0.00 -1.33 0.00 0.00 58.87 55.37 2ghw n SER 117 Cb 0.00 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 2ghw n SER 117 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2ghw n SER 132 N 11.23 0.00 -4.84 -3.46 3.41 -1.26 -4.69 113.62 114.01 2ghw n SER 132 Ca 0.36 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.65 2ghw n SER 132 Cb 0.42 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.35 2ghw n SER 132 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2ghw s GLU 133 N 0.00 3.84 -0.25 4.33 2.02 -1.26 -4.88 118.70 122.49 2ghw s GLU 133 Ca 0.00 0.95 -0.08 0.00 0.02 0.00 0.00 54.97 55.86 2ghw s GLU 133 Cb 0.00 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 32.08 2ghw s GLU 133 CO 0.00 -0.37 0.08 0.99 0.02 0.00 0.00 175.26 175.99 2ghw s THR 134 N -2.69 4.42 -0.07 3.63 2.01 -1.26 -4.90 115.64 116.77 2ghw s THR 134 Ca 0.59 -0.14 -0.17 0.00 0.31 0.00 0.00 61.69 62.28 2ghw s THR 134 Cb -0.11 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 2ghw s THR 134 CO 0.35 0.33 0.44 -0.89 -0.69 0.00 0.00 174.62 174.16 2ghw s THR 135 N 1.63 5.11 -0.19 -0.82 2.01 -1.26 -4.74 115.64 117.38 2ghw s THR 135 Ca 0.06 0.89 -0.05 0.00 0.31 0.00 0.00 61.69 62.90 2ghw s THR 135 Cb -0.15 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 2ghw s THR 135 CO 0.04 0.44 0.00 -0.76 -0.69 0.00 0.00 174.62 173.66 2ghw s LEU 136 N -0.13 3.33 -0.28 4.42 1.43 -1.26 -1.17 118.68 125.01 2ghw s LEU 136 Ca 0.24 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2ghw s LEU 136 Cb -0.16 -1.84 0.07 0.00 0.03 0.00 0.00 46.19 44.29 2ghw s LEU 136 CO 0.11 0.09 -0.06 -0.89 0.23 0.00 0.00 176.35 175.84 2ghw s THR 137 N 0.83 2.33 0.36 5.49 2.01 -0.24 -4.18 115.64 122.24 2ghw s THR 137 Ca 0.01 -1.75 -0.13 0.00 0.31 0.00 0.00 61.69 60.13 2ghw s THR 137 Cb -0.14 -2.44 -0.08 0.00 0.01 0.00 0.00 72.50 69.85 2ghw s THR 137 CO 0.02 -0.16 0.75 -1.10 -0.69 0.00 0.00 174.62 173.44 2ghw s GLN 138 N 1.09 3.89 -0.15 4.92 -0.21 -1.26 -0.64 119.66 127.29 2ghw s GLN 138 Ca -0.04 0.57 -0.16 0.00 0.02 0.00 0.00 55.36 55.74 2ghw s GLN 138 Cb -0.20 -2.41 0.04 0.00 1.00 0.00 0.00 33.01 31.45 2ghw s GLN 138 CO -0.05 0.06 0.45 -1.54 -2.12 0.00 0.00 175.29 172.09 2ghw s SER 139 N -2.72 -0.46 0.85 5.90 1.04 -0.70 -4.64 113.70 112.96 2ghw s SER 139 Ca 0.53 0.83 -0.13 0.00 0.48 0.00 0.00 55.95 57.66 2ghw s SER 139 Cb -0.10 0.86 0.11 0.00 0.10 0.00 0.00 66.02 66.99 2ghw s SER 139 CO 0.25 -0.20 1.21 -2.16 0.98 0.00 0.00 173.24 173.31 2ghw s PRO 140 N 0.03 1.61 0.40 4.02 0.04 -1.26 -1.29 135.00 138.55 2ghw s PRO 140 Ca -0.02 -0.05 0.09 0.00 0.04 0.00 0.00 61.00 61.06 2ghw s PRO 140 Cb -0.03 -1.93 0.82 0.00 0.04 0.00 0.00 34.50 33.39 2ghw s PRO 140 CO 0.01 -1.80 1.96 0.00 0.04 0.00 0.00 177.00 177.21 2ghw h ALA 141 N -1.20 1.58 -3.08 8.56 0.00 -1.82 -3.41 119.26 119.89 2ghw h ALA 141 Ca -0.45 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.15 2ghw h ALA 141 Cb 1.30 -0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.75 2ghw h ALA 141 CO 0.58 0.31 -0.47 0.95 0.00 0.00 0.00 179.25 180.62 2ghw s THR 142 N -4.97 0.02 -0.12 0.00 -4.23 -1.26 -0.97 115.64 104.12 2ghw s THR 142 Ca -0.06 -0.21 0.02 0.00 -1.18 0.00 0.00 61.69 60.26 2ghw s THR 142 Cb 0.16 -0.34 0.01 0.00 1.34 0.00 0.00 72.50 73.67 2ghw s THR 142 CO 0.73 -0.11 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.77 2ghw s LEU 143 N -0.36 1.84 -0.37 4.79 1.43 0.72 -4.91 118.68 121.81 2ghw s LEU 143 Ca -0.05 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.48 2ghw s LEU 143 Cb -0.03 -1.20 0.04 0.00 0.03 0.00 0.00 46.19 45.03 2ghw s LEU 143 CO 0.01 0.03 0.19 -0.44 0.23 0.00 0.00 176.35 176.37 2ghw s SER 144 N 0.95 5.59 0.24 2.29 0.01 -1.26 -0.02 113.70 121.49 2ghw s SER 144 Ca -0.07 -1.15 0.01 0.00 1.31 0.00 0.00 55.95 56.05 2ghw s SER 144 Cb -0.15 -1.97 -0.05 0.00 0.21 0.00 0.00 66.02 64.06 2ghw s SER 144 CO -0.02 -0.40 0.10 -0.76 0.41 0.00 0.00 173.24 172.58 2ghw s LEU 145 N 1.48 1.51 0.18 2.44 1.43 -0.35 -4.61 118.68 120.77 2ghw s LEU 145 Ca 0.01 -1.38 0.06 0.00 -1.03 0.00 0.00 54.13 51.79 2ghw s LEU 145 Cb -0.20 0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.10 2ghw s LEU 145 CO 0.05 -0.76 0.10 -0.44 0.23 0.00 0.00 176.35 175.52 2ghw s SER 146 N -3.27 5.26 0.14 2.29 0.01 -1.26 0.01 113.70 116.89 2ghw s SER 146 Ca 0.38 -0.24 -0.34 0.00 1.31 0.00 0.00 55.95 57.06 2ghw s SER 146 Cb 0.08 -1.29 -0.16 0.00 0.21 0.00 0.00 66.02 64.86 2ghw s SER 146 CO 0.13 0.06 1.20 -2.65 0.41 0.00 0.00 173.24 172.39 2ghw n PRO 147 N -0.39 1.10 -0.15 12.44 -0.02 -1.26 -2.31 135.00 144.41 2ghw n PRO 147 Ca -0.09 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2ghw n PRO 147 Cb 0.55 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 2ghw n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ghw n GLY 148 N 2.13 0.59 3.96 -1.23 0.00 0.21 -4.87 105.19 105.99 2ghw n GLY 148 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 2ghw n GLY 148 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ghw s GLU 149 N -0.81 2.94 -0.16 1.61 2.02 -0.98 -4.37 118.70 118.95 2ghw s GLU 149 Ca 0.00 -1.15 -0.09 0.00 0.02 0.00 0.00 54.97 53.75 2ghw s GLU 149 Cb 0.00 -2.71 -0.05 0.00 0.10 0.00 0.00 34.13 31.47 2ghw s GLU 149 CO 0.00 -0.02 0.15 0.50 0.02 0.00 0.00 175.26 175.91 2ghw s ARG 150 N -4.18 3.86 -0.16 1.61 3.52 -1.26 -0.40 118.95 121.95 2ghw s ARG 150 Ca 0.47 -0.15 -0.04 0.00 -0.13 0.00 0.00 55.73 55.88 2ghw s ARG 150 Cb -0.08 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 2ghw s ARG 150 CO 0.30 0.51 -0.03 0.00 -0.81 0.00 0.00 175.30 175.27 2ghw s ALA 151 N -0.27 3.01 -0.25 6.12 0.00 -0.02 -4.98 121.76 125.37 2ghw s ALA 151 Ca 0.12 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.28 2ghw s ALA 151 Cb -0.12 -1.57 0.06 0.00 0.00 0.00 0.00 23.12 21.49 2ghw s ALA 151 CO 0.01 0.20 -0.10 0.99 0.00 0.00 0.00 175.76 176.86 2ghw s THR 152 N 0.38 2.06 -0.16 0.00 2.01 -1.26 -0.60 115.64 118.08 2ghw s THR 152 Ca -0.04 -1.55 -0.05 0.00 0.31 0.00 0.00 61.69 60.36 2ghw s THR 152 Cb -0.14 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 2ghw s THR 152 CO 0.03 -0.02 0.01 -0.76 -0.69 0.00 0.00 174.62 173.18 2ghw s LEU 153 N 1.15 3.53 0.01 4.42 1.02 -0.40 -4.81 118.68 123.61 2ghw s LEU 153 Ca -0.08 -0.00 -0.01 0.00 0.02 0.00 0.00 54.13 54.05 2ghw s LEU 153 Cb -0.20 -1.86 -0.04 0.00 0.02 0.00 0.00 46.19 44.11 2ghw s LEU 153 CO -0.05 0.20 0.16 -0.44 0.02 0.00 0.00 176.35 176.23 2ghw s SER 154 N 0.20 6.15 -0.05 2.29 0.01 -0.42 -1.33 113.70 120.55 2ghw s SER 154 Ca 0.01 0.26 -0.01 0.00 1.31 0.00 0.00 55.95 57.53 2ghw s SER 154 Cb -0.13 -1.87 0.03 0.00 0.21 0.00 0.00 66.02 64.26 2ghw s SER 154 CO 0.02 0.24 0.00 0.00 0.41 0.00 0.00 173.24 173.91 2ghw s ARG 156 N 1.59 2.97 0.04 0.00 6.06 0.19 -1.58 118.95 128.22 2ghw s ARG 156 Ca -0.01 -0.84 -0.11 0.00 -2.50 0.00 0.00 55.73 52.27 2ghw s ARG 156 Cb -0.13 -2.41 -0.06 0.00 0.06 0.00 0.00 34.95 32.42 2ghw s ARG 156 CO -0.03 -0.02 0.38 0.00 -2.50 0.00 0.00 175.30 173.13 2ghw s ALA 157 N 0.84 3.73 0.16 6.12 0.00 0.77 -1.08 121.76 132.30 2ghw s ALA 157 Ca -0.07 -0.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 2ghw s ALA 157 Cb -0.15 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 20.71 2ghw s ALA 157 CO -0.02 0.55 1.42 0.66 0.00 0.00 0.00 175.76 178.36 2ghw h SER 158 N 4.11 0.60 -3.89 0.00 4.64 -1.47 -3.44 113.55 114.11 2ghw h SER 158 Ca -0.50 -0.38 -0.36 0.00 -0.47 0.00 0.00 61.79 60.08 2ghw h SER 158 Cb 1.20 -0.18 -0.14 0.00 -0.31 0.00 0.00 62.40 62.97 2ghw h SER 158 CO 0.64 1.13 -0.68 0.00 -0.87 0.00 0.00 176.83 177.05 2ghw s GLN 159 N -3.71 1.23 0.14 4.77 -2.07 -1.26 -5.00 119.66 113.75 2ghw s GLN 159 Ca -0.07 -1.59 -0.32 0.00 -1.82 0.00 0.00 55.36 51.56 2ghw s GLN 159 Cb 0.10 -0.64 -0.12 0.00 -1.09 0.00 0.00 33.01 31.27 2ghw s GLN 159 CO 0.85 -0.02 1.75 0.45 -1.32 0.00 0.00 175.29 177.00 2ghw n SER 160 N -0.33 3.75 -0.94 12.60 2.88 -1.26 -4.73 113.62 125.59 2ghw n SER 160 Ca -0.07 1.03 0.08 0.00 -1.33 0.00 0.00 58.87 58.58 2ghw n SER 160 Cb 0.62 -1.51 0.25 0.00 -0.75 0.00 0.00 64.21 62.82 2ghw n SER 160 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2ghw n VAL 161 N 4.23 1.96 0.00 2.46 0.24 0.23 -4.95 118.33 122.50 2ghw n VAL 161 Ca 0.18 -1.58 0.00 0.00 -2.04 0.00 0.00 64.34 60.90 2ghw n VAL 161 Cb 0.34 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 2ghw n VAL 161 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2ghw n ARG 162 N -0.07 0.00 -0.15 7.34 1.74 -1.23 -1.26 116.66 123.03 2ghw n ARG 162 Ca 0.20 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.39 2ghw n ARG 162 Cb 0.79 0.00 0.26 0.00 -1.02 0.00 0.00 32.46 32.49 2ghw n ARG 162 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2ghw n SER 163 N 2.77 2.86 -2.16 0.55 3.41 -1.26 0.26 113.62 120.05 2ghw n SER 163 Ca 0.00 -1.91 -0.18 0.00 -0.26 0.00 0.00 58.87 56.52 2ghw n SER 163 Cb 0.00 -0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 63.68 2ghw n SER 163 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2ghw n ASN 164 N 1.11 6.00 -4.54 4.04 3.02 -0.39 -2.34 115.26 122.16 2ghw n ASN 164 Ca 0.18 -2.90 -0.34 0.00 -0.03 0.00 0.00 54.58 51.50 2ghw n ASN 164 Cb 0.51 -1.25 -0.12 0.00 -0.61 0.00 0.00 39.78 38.31 2ghw n ASN 164 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2ghw s LEU 165 N -1.27 3.14 0.28 3.41 2.96 -1.26 -2.13 118.68 123.80 2ghw s LEU 165 Ca 0.52 -0.08 0.11 0.00 -0.22 0.00 0.00 54.13 54.46 2ghw s LEU 165 Cb 0.31 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 45.25 2ghw s LEU 165 CO -0.10 0.30 -0.10 0.00 -1.32 0.00 0.00 176.35 175.13 2ghw s ALA 166 N -0.42 2.96 0.04 5.97 0.00 0.11 0.15 121.76 130.57 2ghw s ALA 166 Ca 0.06 -1.79 0.07 0.00 0.00 0.00 0.00 51.96 50.31 2ghw s ALA 166 Cb -0.12 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 2ghw s ALA 166 CO 0.02 0.26 -0.21 -1.58 0.00 0.00 0.00 175.76 174.25 2ghw s TRP 167 N -2.43 1.87 0.04 0.00 0.52 0.07 -0.06 118.94 118.94 2ghw s TRP 167 Ca 0.31 -0.38 0.05 0.00 0.02 0.00 0.00 56.10 56.10 2ghw s TRP 167 Cb -0.05 -1.12 -0.02 0.00 -1.15 0.00 0.00 33.47 31.12 2ghw s TRP 167 CO 0.17 0.08 -0.14 0.71 0.02 0.00 0.00 176.95 177.80 2ghw s TYR 168 N -0.77 1.21 -0.16 -1.98 1.51 0.93 -0.28 117.35 117.81 2ghw s TYR 168 Ca 0.08 -0.34 -0.06 0.00 -1.01 0.00 0.00 57.07 55.74 2ghw s TYR 168 Cb -0.09 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 41.01 2ghw s TYR 168 CO 0.02 0.03 0.03 -1.14 -1.11 0.00 0.00 175.55 173.38 2ghw s GLN 169 N -1.08 3.72 -0.17 -0.62 0.74 0.20 -1.15 119.66 121.29 2ghw s GLN 169 Ca 0.02 -0.39 0.00 0.00 0.05 0.00 0.00 55.36 55.04 2ghw s GLN 169 Cb -0.08 -3.07 0.04 0.00 1.10 0.00 0.00 33.01 31.00 2ghw s GLN 169 CO 0.01 0.36 -0.08 -1.14 -0.55 0.00 0.00 175.29 173.90 2ghw s GLN 170 N 0.09 1.70 0.49 1.67 0.74 0.11 -0.76 119.66 123.69 2ghw s GLN 170 Ca 0.04 -0.62 -0.18 0.00 0.05 0.00 0.00 55.36 54.64 2ghw s GLN 170 Cb -0.13 -2.13 -0.09 0.00 1.10 0.00 0.00 33.01 31.76 2ghw s GLN 170 CO 0.01 -0.41 0.98 0.15 -0.55 0.00 0.00 175.29 175.47 2ghw s LYS 171 N 1.55 4.03 -0.20 1.67 -0.14 -1.26 -1.69 119.74 123.69 2ghw s LYS 171 Ca 0.01 1.03 -0.36 0.00 -1.36 0.00 0.00 55.97 55.28 2ghw s LYS 171 Cb -0.15 -2.15 -0.13 0.00 -1.68 0.00 0.00 37.83 33.72 2ghw s LYS 171 CO -0.08 -0.20 1.92 -2.30 -0.76 0.00 0.00 175.35 173.92 2ghw n PRO 172 N -1.25 1.65 -0.86 -1.68 -0.02 -1.26 -0.60 135.00 130.97 2ghw n PRO 172 Ca 0.07 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2ghw n PRO 172 Cb 0.54 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2ghw n PRO 172 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ghw n GLY 173 N 4.82 0.50 3.93 -1.23 0.00 -1.26 -4.99 105.19 106.96 2ghw n GLY 173 Ca 0.28 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 2ghw n GLY 173 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ghw s GLN 174 N -0.53 2.84 0.40 1.61 -0.21 0.23 -5.04 119.66 118.96 2ghw s GLN 174 Ca 0.00 -1.23 -0.24 0.00 0.02 0.00 0.00 55.36 53.91 2ghw s GLN 174 Cb 0.00 -2.63 -0.09 0.00 1.00 0.00 0.00 33.01 31.29 2ghw s GLN 174 CO 0.00 -0.04 1.05 0.00 -2.12 0.00 0.00 175.29 174.18 2ghw s ALA 175 N -2.30 3.08 0.57 6.09 0.00 -1.26 -4.46 121.76 123.48 2ghw s ALA 175 Ca 0.46 0.69 -0.20 0.00 0.00 0.00 0.00 51.96 52.91 2ghw s ALA 175 Cb -0.07 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2ghw s ALA 175 CO 0.29 -0.20 1.30 -2.14 0.00 0.00 0.00 175.76 175.01 2ghw s PRO 176 N -2.52 3.02 -0.05 0.00 0.02 -1.26 -4.59 135.00 129.62 2ghw s PRO 176 Ca 0.58 2.08 0.06 0.00 0.02 0.00 0.00 61.00 63.74 2ghw s PRO 176 Cb -0.22 -2.12 -0.01 0.00 0.02 0.00 0.00 34.50 32.18 2ghw s PRO 176 CO 0.27 -1.23 -0.24 0.50 -0.33 0.00 0.00 177.00 175.96 2ghw s ARG 177 N -3.07 2.48 0.14 5.54 3.52 0.06 -4.60 118.95 123.02 2ghw s ARG 177 Ca 0.75 -0.90 -0.31 0.00 -0.13 0.00 0.00 55.73 55.14 2ghw s ARG 177 Cb -0.37 -2.16 -0.08 0.00 -1.56 0.00 0.00 34.95 30.78 2ghw s ARG 177 CO 0.42 0.42 1.34 -1.25 -0.81 0.00 0.00 175.30 175.43 2ghw s PRO 178 N -0.27 4.36 -0.27 5.12 0.04 -1.26 -0.63 135.00 142.08 2ghw s PRO 178 Ca -0.00 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 62.97 2ghw s PRO 178 Cb -0.13 -3.24 -0.13 0.00 0.04 0.00 0.00 34.50 31.04 2ghw s PRO 178 CO 0.03 -0.35 -0.33 1.28 0.04 0.00 0.00 177.00 177.67 2ghw n LEU 179 N 3.44 2.18 -3.81 -3.56 4.77 0.62 -4.67 117.00 115.97 2ghw n LEU 179 Ca 0.09 0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 56.17 2ghw n LEU 179 Cb 0.43 -0.83 -0.13 0.00 -2.33 0.00 0.00 43.42 40.56 2ghw n LEU 179 CO 0.58 0.66 -0.21 -0.63 -1.33 0.00 0.00 177.39 176.46 2ghw s ILE 180 N -2.51 -0.01 0.17 -0.08 1.01 -1.13 0.05 121.20 118.71 2ghw s ILE 180 Ca -0.38 0.02 0.09 0.00 0.00 0.00 0.00 60.65 60.39 2ghw s ILE 180 Cb 0.13 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.35 2ghw s ILE 180 CO 0.51 0.01 -0.14 -0.31 0.00 0.00 0.00 174.94 175.01 2ghw s TYR 181 N 0.22 2.56 -1.42 3.97 2.02 0.23 -0.75 117.35 124.18 2ghw s TYR 181 Ca -0.01 -0.25 -0.03 0.00 -0.37 0.00 0.00 57.07 56.40 2ghw s TYR 181 Cb -0.02 -1.27 0.03 0.00 -0.40 0.00 0.00 41.96 40.29 2ghw s TYR 181 CO -0.01 0.49 0.59 -0.25 -1.57 0.00 0.00 175.55 174.81 2ghw n ASP 182 N 0.20 -1.32 0.00 2.29 8.00 -0.81 -0.62 116.55 124.30 2ghw n ASP 182 Ca -0.12 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.45 2ghw n ASP 182 Cb 0.55 -3.39 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 2ghw n ASP 182 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ghw n ALA 183 N -4.40 0.00 -0.02 2.24 0.00 0.12 -4.09 120.51 114.37 2ghw n ALA 183 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2ghw n ALA 183 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2ghw n ALA 183 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ghw n SER 184 N 2.58 0.00 -4.57 0.00 7.64 -1.13 -3.13 113.62 115.01 2ghw n SER 184 Ca 0.00 -0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.36 2ghw n SER 184 Cb 0.00 0.16 -0.07 0.00 -1.01 0.00 0.00 64.21 63.30 2ghw n SER 184 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2ghw s THR 185 N -0.16 4.89 0.32 0.44 2.01 0.21 -4.51 115.64 118.85 2ghw s THR 185 Ca 0.00 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.35 2ghw s THR 185 Cb 0.00 -4.07 -0.10 0.00 0.01 0.00 0.00 72.50 68.33 2ghw s THR 185 CO 0.00 -0.30 1.33 -0.13 -0.69 0.00 0.00 174.62 174.84 2ghw s ARG 186 N 2.71 4.33 0.77 4.92 0.52 -1.26 0.78 118.95 131.73 2ghw s ARG 186 Ca 0.25 2.25 -0.12 0.00 -0.52 0.00 0.00 55.73 57.59 2ghw s ARG 186 Cb -0.14 -3.07 0.06 0.00 0.52 0.00 0.00 34.95 32.31 2ghw s ARG 186 CO 0.15 -0.24 1.14 0.00 0.02 0.00 0.00 175.30 176.36 2ghw s ALA 187 N -1.01 2.67 0.00 2.13 0.00 0.11 -4.82 121.76 120.84 2ghw s ALA 187 Ca 0.50 -0.49 -0.32 0.00 0.00 0.00 0.00 51.96 51.66 2ghw s ALA 187 Cb -0.40 -3.00 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 2ghw s ALA 187 CO 0.53 -1.50 1.92 2.41 0.00 0.00 0.00 175.76 179.11 2ghw n THR 188 N -3.23 0.64 -0.25 0.00 -1.04 -1.26 -2.03 114.28 107.11 2ghw n THR 188 Ca 0.07 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2ghw n THR 188 Cb 0.59 -2.12 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 2ghw n THR 188 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ghw n GLY 189 N 4.44 0.65 3.58 3.41 0.00 -1.26 -5.05 105.19 110.96 2ghw n GLY 189 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2ghw n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ghw s ILE 190 N -2.45 4.96 1.04 -0.61 -1.09 -0.86 -5.04 121.20 117.14 2ghw s ILE 190 Ca 0.00 0.59 -0.12 0.00 -2.23 0.00 0.00 60.65 58.89 2ghw s ILE 190 Cb 0.00 -4.00 0.21 0.00 -1.58 0.00 0.00 42.46 37.10 2ghw s ILE 190 CO 0.00 -0.21 1.08 -2.16 -1.23 0.00 0.00 174.94 172.42 2ghw s PRO 191 N 2.54 0.05 0.00 2.79 0.04 -1.26 -4.84 135.00 134.32 2ghw s PRO 191 Ca 0.22 1.12 0.30 0.00 0.04 0.00 0.00 61.00 62.69 2ghw s PRO 191 Cb -0.15 -1.65 1.79 0.00 0.04 0.00 0.00 34.50 34.54 2ghw s PRO 191 CO 0.13 -3.16 2.14 -0.40 0.04 0.00 0.00 177.00 175.76 2ghw n ASP 192 N -4.55 0.00 0.21 6.66 5.75 -1.26 -2.81 116.55 120.55 2ghw n ASP 192 Ca 0.07 -0.87 0.14 0.00 -0.01 0.00 0.00 54.79 54.12 2ghw n ASP 192 Cb 0.53 -0.03 0.45 0.00 -1.03 0.00 0.00 41.12 41.04 2ghw n ASP 192 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2ghw h ARG 193 N 0.00 0.00 -5.87 0.11 0.11 -1.90 -3.41 114.38 103.42 2ghw h ARG 193 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 2ghw h ARG 193 Cb 0.03 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.03 2ghw h ARG 193 CO 0.00 0.00 0.21 -0.06 0.10 0.00 0.00 179.97 180.22 2ghw s PHE 194 N -3.39 3.45 -0.02 4.08 0.40 -1.12 -1.13 117.98 120.25 2ghw s PHE 194 Ca 0.05 1.14 -0.04 0.00 -0.60 0.00 0.00 56.93 57.48 2ghw s PHE 194 Cb 0.08 -2.88 0.00 0.00 0.51 0.00 0.00 43.02 40.74 2ghw s PHE 194 CO 0.57 -0.12 0.08 -1.54 0.70 0.00 0.00 175.22 174.91 2ghw s SER 195 N 1.06 -0.02 0.14 1.36 1.04 -0.43 -4.96 113.70 111.90 2ghw s SER 195 Ca 0.35 0.01 0.10 0.00 0.48 0.00 0.00 55.95 56.89 2ghw s SER 195 Cb -0.17 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 2ghw s SER 195 CO 0.13 -0.13 -0.22 -0.83 0.98 0.00 0.00 173.24 173.16 2ghw s GLY 196 N -0.44 1.46 -0.07 7.32 0.00 -1.26 -0.48 107.32 113.84 2ghw s GLY 196 Ca -0.05 -1.44 -0.10 0.00 0.00 0.00 0.00 44.72 43.13 2ghw s GLY 196 CO 0.00 -1.45 0.25 -0.45 0.00 0.00 0.00 173.10 171.45 2ghw s SER 197 N -2.28 -0.22 0.00 1.64 0.15 -0.72 -4.12 113.70 108.15 2ghw s SER 197 Ca 0.13 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2ghw s SER 197 Cb -0.09 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2ghw s SER 197 CO 0.06 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2ghw n GLY 198 N 2.50 3.99 3.63 9.45 0.00 -1.26 -1.17 105.19 122.32 2ghw n GLY 198 Ca -0.15 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.17 2ghw n GLY 198 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ghw s SER 199 N 0.00 -1.04 0.00 1.61 0.15 -1.25 -4.77 113.70 108.40 2ghw s SER 199 Ca 0.00 1.53 0.00 0.00 0.70 0.00 0.00 55.95 58.18 2ghw s SER 199 Cb 0.00 1.95 0.00 0.00 -1.71 0.00 0.00 66.02 66.26 2ghw s SER 199 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2ghw n GLY 200 N 5.06 1.45 0.00 9.45 0.00 0.14 -4.63 105.19 116.66 2ghw n GLY 200 Ca -0.15 -0.93 0.01 0.00 0.00 0.00 0.00 46.02 44.96 2ghw n GLY 200 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ghw n THR 201 N 0.00 0.00 -4.01 2.61 -2.24 -1.26 -0.60 114.28 108.77 2ghw n THR 201 Ca 0.00 -0.43 -0.30 0.00 -2.27 0.00 0.00 64.05 61.05 2ghw n THR 201 Cb 0.00 1.00 -0.16 0.00 -2.10 0.00 0.00 70.33 69.07 2ghw n THR 201 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ghw s ASP 202 N -1.26 2.72 0.08 3.42 3.68 -1.26 -0.16 116.67 123.88 2ghw s ASP 202 Ca 0.01 -0.51 0.02 0.00 2.13 0.00 0.00 52.55 54.20 2ghw s ASP 202 Cb 0.02 -1.17 -0.04 0.00 -1.45 0.00 0.00 42.92 40.29 2ghw s ASP 202 CO 0.12 -0.07 -0.06 -0.36 0.13 0.00 0.00 175.17 174.93 2ghw s PHE 203 N 1.49 0.78 0.04 -5.34 0.40 -0.62 -3.80 117.98 110.94 2ghw s PHE 203 Ca 0.04 -0.82 -0.05 0.00 -0.60 0.00 0.00 56.93 55.50 2ghw s PHE 203 Cb -0.13 -0.47 -0.01 0.00 0.51 0.00 0.00 43.02 42.92 2ghw s PHE 203 CO -0.10 -0.16 0.08 0.95 0.70 0.00 0.00 175.22 176.69 2ghw s THR 204 N -3.06 0.14 -0.15 0.64 -4.23 -0.32 -1.99 115.64 106.67 2ghw s THR 204 Ca 0.05 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 2ghw s THR 204 Cb 0.02 -0.93 0.02 0.00 1.34 0.00 0.00 72.50 72.95 2ghw s THR 204 CO -0.04 -0.64 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.05 2ghw s LEU 205 N -2.19 1.63 -0.22 4.79 2.96 -0.44 -1.75 118.68 123.46 2ghw s LEU 205 Ca -0.04 -0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 53.32 2ghw s LEU 205 Cb -0.01 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.53 2ghw s LEU 205 CO -0.05 -0.07 0.07 -0.89 -1.32 0.00 0.00 176.35 174.08 2ghw s THR 206 N 1.52 4.54 -0.45 3.68 2.01 0.36 -1.27 115.64 126.03 2ghw s THR 206 Ca 0.05 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.86 2ghw s THR 206 Cb -0.13 -3.08 0.11 0.00 0.01 0.00 0.00 72.50 69.41 2ghw s THR 206 CO -0.10 0.39 0.30 -0.63 -0.69 0.00 0.00 174.62 173.88 2ghw s ILE 207 N 1.05 3.95 0.44 1.82 1.01 0.23 -1.31 121.20 128.39 2ghw s ILE 207 Ca 0.04 -1.82 -0.16 0.00 0.00 0.00 0.00 60.65 58.71 2ghw s ILE 207 Cb -0.14 -3.60 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 2ghw s ILE 207 CO 0.03 -0.72 0.90 -0.44 0.00 0.00 0.00 174.94 174.71 2ghw s SER 208 N 2.38 6.70 -0.26 3.58 0.01 -0.29 -0.84 113.70 124.98 2ghw s SER 208 Ca 0.06 1.47 -0.23 0.00 1.31 0.00 0.00 55.95 58.56 2ghw s SER 208 Cb -0.25 -2.46 0.04 0.00 0.21 0.00 0.00 66.02 63.56 2ghw s SER 208 CO -0.01 -0.44 0.39 -2.11 0.41 0.00 0.00 173.24 171.48 2ghw n ARG 209 N -1.11 -1.14 -1.78 12.44 1.85 -1.16 -4.79 116.66 120.97 2ghw n ARG 209 Ca 0.05 0.86 -0.41 0.00 -1.00 0.00 0.00 57.85 57.36 2ghw n ARG 209 Cb 0.54 -1.21 -0.00 0.00 -1.05 0.00 0.00 32.46 30.74 2ghw n ARG 209 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2ghw s LEU 210 N -1.48 4.31 0.25 2.89 1.43 0.46 -4.56 118.68 121.99 2ghw s LEU 210 Ca 0.23 3.07 0.11 0.00 -1.03 0.00 0.00 54.13 56.50 2ghw s LEU 210 Cb -0.02 -3.67 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 2ghw s LEU 210 CO 0.51 -0.90 -0.12 -1.61 0.23 0.00 0.00 176.35 174.46 2ghw s GLU 211 N -1.92 1.94 0.33 1.70 2.02 -1.26 0.67 118.70 122.17 2ghw s GLU 211 Ca 0.54 -1.53 0.11 0.00 0.02 0.00 0.00 54.97 54.11 2ghw s GLU 211 Cb -0.47 -1.98 0.98 0.00 0.10 0.00 0.00 34.13 32.75 2ghw s GLU 211 CO 0.62 0.37 1.64 -1.35 0.02 0.00 0.00 175.26 176.56 2ghw h PRO 212 N 2.38 0.22 0.00 0.39 0.11 -1.99 0.19 132.00 133.31 2ghw h PRO 212 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2ghw h PRO 212 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ghw h PRO 212 CO 0.58 0.15 0.00 0.39 -0.21 0.00 0.00 178.00 178.90 2ghw n GLU 213 N -5.16 0.08 0.00 1.05 4.71 -1.26 -3.34 120.64 116.73 2ghw n GLU 213 Ca 0.29 0.28 0.13 0.00 -0.01 0.00 0.00 57.16 57.84 2ghw n GLU 213 Cb 0.91 -1.64 0.39 0.00 -1.01 0.00 0.00 31.44 30.09 2ghw n GLU 213 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2ghw n ASP 214 N -1.80 0.32 -4.65 1.62 8.00 0.05 -4.80 116.55 115.30 2ghw n ASP 214 Ca 0.04 0.07 -0.43 0.00 0.71 0.00 0.00 54.79 55.18 2ghw n ASP 214 Cb 0.23 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.24 2ghw n ASP 214 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2ghw s PHE 215 N -3.01 2.97 0.03 1.24 0.40 -1.21 -4.90 117.98 113.51 2ghw s PHE 215 Ca 0.12 1.11 -0.28 0.00 -0.60 0.00 0.00 56.93 57.29 2ghw s PHE 215 Cb 0.18 -3.57 0.10 0.00 0.51 0.00 0.00 43.02 40.24 2ghw s PHE 215 CO 0.63 -1.27 1.22 0.00 0.70 0.00 0.00 175.22 176.51 2ghw s ALA 216 N 3.65 -2.19 0.03 5.36 0.00 -0.91 -4.92 121.76 122.78 2ghw s ALA 216 Ca 0.51 0.18 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 2ghw s ALA 216 Cb -0.17 0.69 -0.06 0.00 0.00 0.00 0.00 23.12 23.57 2ghw s ALA 216 CO 0.15 -1.10 0.65 0.08 0.00 0.00 0.00 175.76 175.54 2ghw s VAL 217 N -2.24 4.80 -0.13 0.00 1.01 -0.68 -0.11 120.40 123.04 2ghw s VAL 217 Ca 0.22 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.59 2ghw s VAL 217 Cb 0.01 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 2ghw s VAL 217 CO -0.00 0.43 -0.16 -0.31 0.00 0.00 0.00 175.10 175.05 2ghw s TYR 218 N -0.34 2.74 -0.08 5.22 1.51 0.76 0.08 117.35 127.25 2ghw s TYR 218 Ca 0.33 -0.85 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 2ghw s TYR 218 Cb -0.19 -1.82 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 2ghw s TYR 218 CO 0.20 -0.33 -0.18 0.71 -1.11 0.00 0.00 175.55 174.83 2ghw s TYR 219 N 0.47 2.63 0.16 2.71 2.02 -0.30 -1.28 117.35 123.76 2ghw s TYR 219 Ca -0.11 -0.52 -0.01 0.00 -0.37 0.00 0.00 57.07 56.05 2ghw s TYR 219 Cb -0.16 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2ghw s TYR 219 CO 0.05 -0.09 0.35 0.00 -1.57 0.00 0.00 175.55 174.29 2ghw s GLN 221 N -3.02 0.20 -0.08 0.00 0.74 0.91 -1.03 119.66 117.37 2ghw s GLN 221 Ca 0.38 -0.09 -0.01 0.00 0.05 0.00 0.00 55.36 55.70 2ghw s GLN 221 Cb -0.12 -0.19 -0.03 0.00 1.10 0.00 0.00 33.01 33.77 2ghw s GLN 221 CO 0.28 0.05 -0.02 1.14 -0.55 0.00 0.00 175.29 176.19 2ghw s GLN 222 N -0.05 2.94 -0.02 1.67 1.03 -0.54 0.09 119.66 124.79 2ghw s GLN 222 Ca 0.01 -0.46 0.11 0.00 0.04 0.00 0.00 55.36 55.07 2ghw s GLN 222 Cb -0.01 -2.74 -0.18 0.00 0.03 0.00 0.00 33.01 30.12 2ghw s GLN 222 CO -0.00 0.67 0.25 2.89 -2.54 0.00 0.00 175.29 176.56 2ghw n ARG 223 N 2.23 0.35 0.05 9.60 1.85 -0.90 -2.75 116.66 127.09 2ghw n ARG 223 Ca -0.18 -0.10 -0.04 0.00 -1.00 0.00 0.00 57.85 56.52 2ghw n ARG 223 Cb 0.53 -1.27 -0.09 0.00 -1.05 0.00 0.00 32.46 30.59 2ghw n ARG 223 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2ghw h SER 224 N 0.00 0.00 -3.49 2.89 4.64 -1.89 -3.43 113.55 112.27 2ghw h SER 224 Ca -0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 2ghw h SER 224 Cb 0.52 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.46 2ghw h SER 224 CO 0.00 0.81 -0.53 0.20 -0.87 0.00 0.00 176.83 176.44 2ghw s ASN 225 N -6.32 5.90 0.14 4.97 0.01 -1.26 -5.07 114.94 113.30 2ghw s ASN 225 Ca -0.00 0.08 -0.30 0.00 -0.71 0.00 0.00 52.86 51.92 2ghw s ASN 225 Cb 0.09 -2.05 -0.07 0.00 0.41 0.00 0.00 41.25 39.63 2ghw s ASN 225 CO 0.80 0.09 1.12 0.86 -1.51 0.00 0.00 177.10 178.47 2ghw s TRP 226 N 0.88 3.55 0.55 2.20 -0.11 -1.26 -3.84 118.94 120.92 2ghw s TRP 226 Ca 0.06 1.53 -0.04 0.00 1.22 0.00 0.00 56.10 58.87 2ghw s TRP 226 Cb -0.13 -3.31 0.01 0.00 -1.50 0.00 0.00 33.47 28.54 2ghw s TRP 226 CO 0.03 -0.76 0.83 -1.25 -4.62 0.00 0.00 176.95 171.18 2ghw s PRO 227 N 0.04 2.87 0.06 5.86 0.04 -1.26 -4.63 135.00 137.98 2ghw s PRO 227 Ca 0.52 -0.23 -0.35 0.00 0.04 0.00 0.00 61.00 60.97 2ghw s PRO 227 Cb -0.29 -2.37 -0.15 0.00 0.04 0.00 0.00 34.50 31.74 2ghw s PRO 227 CO 0.33 -0.62 1.57 -2.30 0.04 0.00 0.00 177.00 176.03 2ghw n PRO 228 N -2.44 1.77 -4.40 0.56 -0.02 -1.25 -4.78 135.00 124.43 2ghw n PRO 228 Ca 0.04 0.64 -0.23 0.00 -2.02 0.00 0.00 63.50 61.93 2ghw n PRO 228 Cb 0.58 -2.38 -0.13 0.00 -0.02 0.00 0.00 33.50 31.55 2ghw n PRO 228 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2ghw s THR 229 N 1.51 1.48 0.16 3.45 -4.23 -1.11 -4.29 115.64 112.62 2ghw s THR 229 Ca 0.84 -1.27 0.07 0.00 -1.18 0.00 0.00 61.69 60.15 2ghw s THR 229 Cb -0.80 -1.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 2ghw s THR 229 CO 0.45 0.02 -0.03 -0.36 -0.54 0.00 0.00 174.62 174.16 2ghw s PHE 230 N -0.98 2.80 1.06 3.99 0.40 -1.26 -1.47 117.98 122.53 2ghw s PHE 230 Ca 0.05 -0.15 -0.15 0.00 -0.60 0.00 0.00 56.93 56.07 2ghw s PHE 230 Cb -0.09 -1.38 0.22 0.00 0.51 0.00 0.00 43.02 42.28 2ghw s PHE 230 CO 0.02 0.51 1.13 0.20 0.70 0.00 0.00 175.22 177.78 2ghw s GLY 231 N -2.82 1.59 0.00 4.36 0.00 -0.20 -4.53 107.32 105.72 2ghw s GLY 231 Ca 0.26 -0.70 0.25 0.00 0.00 0.00 0.00 44.72 44.53 2ghw s GLY 231 CO 0.17 0.03 1.37 -0.18 0.00 0.00 0.00 173.10 174.49 2ghw n GLN 232 N -4.31 0.33 0.00 2.90 -0.06 -1.26 -4.32 117.38 110.66 2ghw n GLN 232 Ca 0.09 -0.21 0.00 0.00 -2.00 0.00 0.00 57.00 54.88 2ghw n GLN 232 Cb 0.59 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.27 2ghw n GLN 232 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ghw n GLY 233 N 1.45 2.48 2.95 1.69 0.00 -1.26 -4.62 105.19 107.88 2ghw n GLY 233 Ca 0.08 -1.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.00 2ghw n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ghw s THR 234 N -2.62 0.96 -0.26 2.61 2.01 -0.41 -4.63 115.64 113.30 2ghw s THR 234 Ca 0.00 -0.32 -0.17 0.00 0.31 0.00 0.00 61.69 61.50 2ghw s THR 234 Cb 0.00 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 2ghw s THR 234 CO 0.00 0.33 0.49 -0.75 -0.69 0.00 0.00 174.62 174.00 2ghw s LYS 235 N 1.13 4.06 -0.50 4.92 2.20 -0.14 -0.17 119.74 131.23 2ghw s LYS 235 Ca -0.06 0.28 -0.18 0.00 -0.36 0.00 0.00 55.97 55.65 2ghw s LYS 235 Cb -0.14 -3.65 0.07 0.00 -1.51 0.00 0.00 37.83 32.60 2ghw s LYS 235 CO -0.01 -0.34 0.54 0.08 -0.36 0.00 0.00 175.35 175.26 2ghw s VAL 236 N 2.27 5.02 0.15 4.02 1.01 0.84 -0.20 120.40 133.51 2ghw s VAL 236 Ca 0.20 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2ghw s VAL 236 Cb -0.16 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2ghw s VAL 236 CO 0.09 -0.75 0.31 -1.61 0.00 0.00 0.00 175.10 173.13 2ghw s GLU 237 N 2.21 3.47 0.11 2.72 2.02 0.97 -2.14 118.70 128.06 2ghw s GLU 237 Ca 0.10 -0.49 -0.31 0.00 0.02 0.00 0.00 54.97 54.29 2ghw s GLU 237 Cb -0.22 -2.94 -0.07 0.00 0.10 0.00 0.00 34.13 31.00 2ghw s GLU 237 CO 0.09 0.50 1.32 0.08 0.02 0.00 0.00 175.26 177.27 2ghw s VAL 238 N -1.75 3.49 -0.48 2.63 1.01 -1.26 -1.21 120.40 122.84 2ghw s VAL 238 Ca 0.36 1.10 -0.28 0.00 0.00 0.00 0.00 61.98 63.15 2ghw s VAL 238 Cb -0.11 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2ghw s VAL 238 CO 0.28 0.10 1.41 -0.75 0.00 0.00 0.00 175.10 176.14 2ghw s LYS 239 N 0.88 3.46 0.54 2.72 2.20 0.10 -4.68 119.74 124.95 2ghw s LYS 239 Ca 0.61 0.72 -0.12 0.00 -0.36 0.00 0.00 55.97 56.82 2ghw s LYS 239 Cb -0.35 -4.07 -0.06 0.00 -1.51 0.00 0.00 37.83 31.85 2ghw s LYS 239 CO 0.31 -1.73 0.95 -1.12 -0.36 0.00 0.00 175.35 173.41 2ghw s SER 240 N 4.13 6.42 0.00 1.43 0.01 -1.26 -4.78 113.70 119.66 2ghw s SER 240 Ca 0.57 1.38 0.00 0.00 1.31 0.00 0.00 55.95 59.22 2ghw s SER 240 Cb -0.12 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2ghw s SER 240 CO 0.29 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2ghw n GLY 241 N -2.06 -2.39 3.10 3.44 0.00 -1.26 -5.10 105.19 100.92 2ghw n GLY 241 Ca 0.05 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.75 2ghw n GLY 241 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ghw s LEU 242 N 0.00 -1.13 0.08 0.99 0.20 -1.26 -5.10 118.68 112.47 2ghw s LEU 242 Ca 0.00 -0.18 0.00 0.00 0.69 0.00 0.00 54.13 54.64 2ghw s LEU 242 Cb 0.00 1.58 0.00 0.00 -0.43 0.00 0.00 46.19 47.34 2ghw s LEU 242 CO 0.00 -0.17 0.00 0.52 -0.29 0.00 0.00 176.35 176.41 2ghw n VAL 243 N 4.76 0.30 -3.68 1.68 0.31 -1.26 -5.07 118.33 115.38 2ghw n VAL 243 Ca 0.08 0.10 -0.38 0.00 -0.01 0.00 0.00 64.34 64.13 2ghw n VAL 243 Cb 0.57 -0.80 -0.12 0.00 -0.91 0.00 0.00 33.84 32.59 2ghw n VAL 243 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2ghw s PRO 244 N -1.43 3.59 0.00 5.55 0.04 -1.26 -5.37 135.00 136.12 2ghw s PRO 244 Ca 0.00 -0.54 0.00 0.00 0.04 0.00 0.00 61.00 60.50 2ghw s PRO 244 Cb 0.00 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 31.05 2ghw s PRO 244 CO 0.00 -0.28 0.00 -2.13 0.04 0.00 0.00 177.00 174.63