#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbm s VAL 2 N 0.00 4.93 -0.14 3.84 1.01 -1.26 -4.97 120.40 123.81 3gbm s VAL 2 Ca 0.00 1.71 -0.05 0.00 0.00 0.00 0.00 61.98 63.64 3gbm s VAL 2 Cb 0.00 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 3gbm s VAL 2 CO 0.00 0.14 0.02 -1.10 0.00 0.00 0.00 175.10 174.16 3gbm s GLN 3 N 1.34 3.58 -0.29 2.72 1.11 -1.26 -4.93 119.66 121.93 3gbm s GLN 3 Ca 0.42 -0.40 -0.06 0.00 0.01 0.00 0.00 55.36 55.34 3gbm s GLN 3 Cb -0.18 -3.01 0.02 0.00 -1.01 0.00 0.00 33.01 28.83 3gbm s GLN 3 CO 0.19 0.41 0.05 -0.51 0.01 0.00 0.00 175.29 175.44 3gbm s LEU 4 N -0.06 3.73 -0.15 2.90 1.43 -1.26 -0.79 118.68 124.49 3gbm s LEU 4 Ca 0.04 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 3gbm s LEU 4 Cb -0.13 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.26 3gbm s LEU 4 CO 0.02 -0.19 -0.15 -0.69 0.23 0.00 0.00 176.35 175.57 3gbm s VAL 5 N 1.45 2.68 0.33 -1.59 1.01 0.10 -4.23 120.40 120.15 3gbm s VAL 5 Ca 0.02 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.30 3gbm s VAL 5 Cb -0.17 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3gbm s VAL 5 CO 0.01 0.52 0.37 -1.61 0.00 0.00 0.00 175.10 174.38 3gbm s GLU 6 N 0.73 2.94 0.91 2.72 2.02 -1.26 0.25 118.70 127.01 3gbm s GLU 6 Ca -0.07 -1.13 -0.13 0.00 0.02 0.00 0.00 54.97 53.66 3gbm s GLU 6 Cb -0.16 -2.65 0.14 0.00 0.10 0.00 0.00 34.13 31.57 3gbm s GLU 6 CO 0.01 0.12 1.16 -1.54 0.02 0.00 0.00 175.26 175.03 3gbm s SER 7 N -4.06 3.55 1.12 -0.19 1.04 -1.10 -4.97 113.70 109.09 3gbm s SER 7 Ca 0.42 0.84 -0.15 0.00 0.48 0.00 0.00 55.95 57.54 3gbm s SER 7 Cb -0.08 -1.33 0.25 0.00 0.10 0.00 0.00 66.02 64.96 3gbm s SER 7 CO 0.28 -2.51 1.07 -0.83 0.98 0.00 0.00 173.24 172.23 3gbm s GLY 8 N -4.22 1.55 0.54 7.32 0.00 -1.26 -4.78 107.32 106.46 3gbm s GLY 8 Ca 0.65 -0.48 -0.21 0.00 0.00 0.00 0.00 44.72 44.68 3gbm s GLY 8 CO 0.52 0.25 1.14 0.00 0.00 0.00 0.00 173.10 175.02 3gbm n ALA 9 N -4.62 0.77 -2.50 3.20 0.00 -1.26 -4.78 120.51 111.32 3gbm n ALA 9 Ca 0.06 0.11 -0.25 0.00 0.00 0.00 0.00 53.44 53.37 3gbm n ALA 9 Cb 0.57 -2.21 -0.14 0.00 0.00 0.00 0.00 19.45 17.67 3gbm n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gbm s GLU 10 N -2.63 1.36 -0.13 0.00 0.41 -0.41 -5.01 118.70 112.30 3gbm s GLU 10 Ca 0.71 -0.87 0.01 0.00 -0.41 0.00 0.00 54.97 54.40 3gbm s GLU 10 Cb -0.45 -1.43 0.02 0.00 -1.78 0.00 0.00 34.13 30.49 3gbm s GLU 10 CO 0.50 0.37 -0.13 0.08 -0.49 0.00 0.00 175.26 175.59 3gbm s VAL 11 N -0.74 1.42 0.07 2.63 1.01 -1.26 -1.85 120.40 121.67 3gbm s VAL 11 Ca 0.07 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3gbm s VAL 11 Cb -0.08 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3gbm s VAL 11 CO 0.01 0.43 -0.12 -0.54 0.00 0.00 0.00 175.10 174.88 3gbm s LYS 12 N 1.38 0.77 0.36 2.72 -0.14 -0.39 -4.99 119.74 119.45 3gbm s LYS 12 Ca 0.01 -0.96 -0.17 0.00 -1.36 0.00 0.00 55.97 53.49 3gbm s LYS 12 Cb -0.13 -0.66 -0.10 0.00 -1.68 0.00 0.00 37.83 35.26 3gbm s LYS 12 CO -0.07 0.14 0.81 0.15 -0.76 0.00 0.00 175.35 175.61 3gbm s LYS 13 N -1.94 4.09 0.54 1.68 1.02 -1.25 -1.62 119.74 122.26 3gbm s LYS 13 Ca -0.02 0.84 -0.22 0.00 0.02 0.00 0.00 55.97 56.59 3gbm s LYS 13 Cb -0.08 -2.36 -0.06 0.00 -0.52 0.00 0.00 37.83 34.81 3gbm s LYS 13 CO 0.01 0.10 1.27 -2.30 -0.92 0.00 0.00 175.35 173.52 3gbm n PRO 14 N -0.42 1.58 -0.99 -1.68 -0.02 -1.26 -2.66 135.00 129.55 3gbm n PRO 14 Ca 0.05 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3gbm n PRO 14 Cb 0.53 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3gbm n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gbm n GLY 15 N 0.86 0.65 0.00 -1.23 0.00 0.70 -4.85 105.19 101.32 3gbm n GLY 15 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3gbm n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gbm n SER 16 N 0.00 1.01 -4.21 1.61 3.41 -1.09 -4.47 113.62 109.89 3gbm n SER 16 Ca 0.00 -0.67 -0.22 0.00 -0.26 0.00 0.00 58.87 57.72 3gbm n SER 16 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 3gbm n SER 16 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3gbm s SER 17 N -0.67 2.10 0.15 4.04 0.01 -1.26 -2.12 113.70 115.96 3gbm s SER 17 Ca 0.00 -0.56 0.09 0.00 1.31 0.00 0.00 55.95 56.79 3gbm s SER 17 Cb 0.00 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 3gbm s SER 17 CO 0.00 0.05 -0.20 0.54 0.41 0.00 0.00 173.24 174.04 3gbm s VAL 18 N -0.99 1.87 -0.26 3.43 0.11 -0.96 -5.01 120.40 118.59 3gbm s VAL 18 Ca 0.04 -1.83 -0.04 0.00 -2.93 0.00 0.00 61.98 57.21 3gbm s VAL 18 Cb -0.09 -1.81 0.09 0.00 -1.53 0.00 0.00 36.38 33.04 3gbm s VAL 18 CO 0.02 -0.22 0.11 -0.75 -3.33 0.00 0.00 175.10 170.94 3gbm s LYS 19 N -2.54 0.21 0.20 1.54 2.20 -1.26 -1.71 119.74 118.39 3gbm s LYS 19 Ca 0.14 -0.45 -0.08 0.00 -0.36 0.00 0.00 55.97 55.22 3gbm s LYS 19 Cb -0.07 -1.42 -0.07 0.00 -1.51 0.00 0.00 37.83 34.76 3gbm s LYS 19 CO 0.06 -0.91 0.50 0.08 -0.36 0.00 0.00 175.35 174.72 3gbm s VAL 20 N 2.07 5.00 0.42 4.02 1.01 0.14 -4.88 120.40 128.18 3gbm s VAL 20 Ca 0.07 0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.48 3gbm s VAL 20 Cb -0.16 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 3gbm s VAL 20 CO -0.28 -0.02 0.09 -0.94 0.00 0.00 0.00 175.10 173.95 3gbm s SER 21 N -2.33 4.13 -0.20 3.32 1.04 -1.26 -1.16 113.70 117.23 3gbm s SER 21 Ca 0.45 -1.27 -0.06 0.00 0.48 0.00 0.00 55.95 55.55 3gbm s SER 21 Cb -0.12 -0.35 0.09 0.00 0.10 0.00 0.00 66.02 65.74 3gbm s SER 21 CO 0.22 -0.53 0.40 0.00 0.98 0.00 0.00 173.24 174.31 3gbm s LYS 23 N 2.59 3.88 -0.17 0.00 2.20 0.14 -1.51 119.74 126.87 3gbm s LYS 23 Ca 0.01 -0.38 -0.07 0.00 -0.36 0.00 0.00 55.97 55.16 3gbm s LYS 23 Cb -0.12 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 3gbm s LYS 23 CO -0.13 0.06 0.08 0.00 -0.36 0.00 0.00 175.35 175.01 3gbm s ALA 24 N 0.96 3.52 0.65 3.13 0.00 0.03 -0.72 121.76 129.33 3gbm s ALA 24 Ca 0.05 -0.72 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 3gbm s ALA 24 Cb -0.14 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 3gbm s ALA 24 CO 0.03 0.27 1.14 -1.54 0.00 0.00 0.00 175.76 175.66 3gbm s SER 25 N 0.08 5.04 0.00 0.00 1.04 0.03 -4.83 113.70 115.06 3gbm s SER 25 Ca 0.07 2.15 0.00 0.00 0.48 0.00 0.00 55.95 58.64 3gbm s SER 25 Cb -0.12 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.43 3gbm s SER 25 CO 0.00 -1.68 0.00 0.61 0.98 0.00 0.00 173.24 173.15 3gbm n GLY 26 N -0.10 0.02 7.00 7.32 0.00 -1.26 -4.69 105.19 113.49 3gbm n GLY 26 Ca 0.12 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3gbm n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbm n GLY 27 N 0.00 3.76 0.22 -0.02 0.00 -1.26 -4.74 105.19 103.15 3gbm n GLY 27 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.05 3gbm n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gbm h PRO 28 N 0.00 0.00 -6.89 1.61 0.13 -1.86 -3.49 132.00 121.49 3gbm h PRO 28 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 3gbm h PRO 28 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 3gbm h PRO 28 CO 0.00 0.21 0.45 -0.06 -0.23 0.00 0.00 178.00 178.37 3gbm s PHE 29 N -4.48 3.36 0.16 1.56 0.40 -1.22 -4.11 117.98 113.64 3gbm s PHE 29 Ca -0.04 1.65 0.11 0.00 -0.60 0.00 0.00 56.93 58.06 3gbm s PHE 29 Cb 0.15 -3.24 -0.04 0.00 0.51 0.00 0.00 43.02 40.40 3gbm s PHE 29 CO 0.69 -0.72 -0.25 1.03 0.70 0.00 0.00 175.22 176.67 3gbm s ARG 30 N -2.03 1.43 0.00 0.44 0.52 -1.26 -5.04 118.95 113.01 3gbm s ARG 30 Ca 0.52 -1.41 0.22 0.00 -0.52 0.00 0.00 55.73 54.54 3gbm s ARG 30 Cb -0.28 -1.83 0.55 0.00 0.52 0.00 0.00 34.95 33.92 3gbm s ARG 30 CO 0.35 0.42 1.47 -1.13 0.02 0.00 0.00 175.30 176.43 3gbm n SER 31 N 0.64 3.72 -4.32 0.23 3.41 -1.26 -4.71 113.62 111.33 3gbm n SER 31 Ca -0.16 -1.99 -0.26 0.00 -0.26 0.00 0.00 58.87 56.21 3gbm n SER 31 Cb 0.54 -0.40 -0.13 0.00 -0.26 0.00 0.00 64.21 63.97 3gbm n SER 31 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3gbm s TYR 32 N -1.13 1.96 0.73 7.33 -0.85 -1.26 -3.47 117.35 120.66 3gbm s TYR 32 Ca 0.44 -0.41 -0.11 0.00 -0.52 0.00 0.00 57.07 56.47 3gbm s TYR 32 Cb 0.24 -1.07 0.03 0.00 0.38 0.00 0.00 41.96 41.54 3gbm s TYR 32 CO 0.31 0.25 1.07 0.00 -1.52 0.00 0.00 175.55 175.67 3gbm s ALA 33 N -1.13 2.52 -0.00 9.51 0.00 0.48 -4.49 121.76 128.64 3gbm s ALA 33 Ca 0.09 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.07 3gbm s ALA 33 Cb -0.10 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 3gbm s ALA 33 CO 0.05 -1.42 -0.16 0.42 0.00 0.00 0.00 175.76 174.65 3gbm s ILE 34 N -3.09 1.28 0.37 0.00 1.01 -1.10 -1.80 121.20 117.88 3gbm s ILE 34 Ca 0.59 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 60.57 3gbm s ILE 34 Cb -0.14 -1.08 -0.07 0.00 0.01 0.00 0.00 42.46 41.18 3gbm s ILE 34 CO 0.55 0.31 -0.04 -0.44 0.00 0.00 0.00 174.94 175.32 3gbm s SER 35 N -0.51 3.84 -0.14 3.58 0.01 0.10 -1.34 113.70 119.25 3gbm s SER 35 Ca 0.06 -1.25 0.02 0.00 1.31 0.00 0.00 55.95 56.09 3gbm s SER 35 Cb -0.07 -0.39 0.01 0.00 0.21 0.00 0.00 66.02 65.79 3gbm s SER 35 CO -0.00 -0.32 -0.21 0.26 0.41 0.00 0.00 173.24 173.39 3gbm s TRP 36 N -2.64 2.69 -0.05 2.43 0.52 0.85 -1.01 118.94 121.73 3gbm s TRP 36 Ca 0.34 -1.27 0.04 0.00 0.02 0.00 0.00 56.10 55.23 3gbm s TRP 36 Cb 0.05 -1.83 -0.00 0.00 -1.15 0.00 0.00 33.47 30.54 3gbm s TRP 36 CO 0.17 -0.58 -0.16 0.08 0.02 0.00 0.00 176.95 176.48 3gbm s VAL 37 N 0.80 1.38 0.32 4.03 1.01 -0.06 0.07 120.40 127.95 3gbm s VAL 37 Ca -0.07 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.33 3gbm s VAL 37 Cb -0.16 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 3gbm s VAL 37 CO -0.01 0.40 -0.01 0.00 0.00 0.00 0.00 175.10 175.48 3gbm s ARG 38 N 0.12 2.08 -0.12 2.72 1.70 0.27 0.01 118.95 125.74 3gbm s ARG 38 Ca -0.05 -1.68 -0.04 0.00 -0.47 0.00 0.00 55.73 53.49 3gbm s ARG 38 Cb -0.12 -1.96 0.06 0.00 -0.57 0.00 0.00 34.95 32.36 3gbm s ARG 38 CO 0.02 0.20 0.20 -1.14 -1.08 0.00 0.00 175.30 173.50 3gbm s GLN 39 N -3.69 0.09 0.31 3.89 0.74 0.18 0.07 119.66 121.25 3gbm s GLN 39 Ca 0.34 0.53 -0.13 0.00 0.05 0.00 0.00 55.36 56.15 3gbm s GLN 39 Cb -0.02 -0.41 -0.08 0.00 1.10 0.00 0.00 33.01 33.60 3gbm s GLN 39 CO 0.19 -0.37 0.69 0.00 -0.55 0.00 0.00 175.29 175.25 3gbm s ALA 40 N 2.33 3.39 0.04 1.58 0.00 -1.26 -0.92 121.76 126.92 3gbm s ALA 40 Ca 0.03 -0.08 -0.36 0.00 0.00 0.00 0.00 51.96 51.55 3gbm s ALA 40 Cb -0.13 -2.67 -0.15 0.00 0.00 0.00 0.00 23.12 20.18 3gbm s ALA 40 CO -0.08 0.33 1.55 -0.35 0.00 0.00 0.00 175.76 177.21 3gbm n PRO 41 N -0.45 1.63 -1.00 0.00 -0.04 -1.26 -0.72 135.00 133.16 3gbm n PRO 41 Ca 0.03 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 3gbm n PRO 41 Cb 0.53 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 3gbm n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gbm n GLY 42 N 3.30 0.44 3.54 0.55 0.00 -1.26 -5.02 105.19 106.74 3gbm n GLY 42 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 3gbm n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gbm s GLN 43 N -0.33 1.84 0.79 1.61 -1.52 0.10 -5.14 119.66 117.02 3gbm s GLN 43 Ca 0.00 -1.83 -0.11 0.00 -1.95 0.00 0.00 55.36 51.47 3gbm s GLN 43 Cb 0.00 -1.79 0.07 0.00 -0.22 0.00 0.00 33.01 31.07 3gbm s GLN 43 CO 0.00 0.21 1.10 0.20 -0.25 0.00 0.00 175.29 176.55 3gbm s GLY 44 N -3.60 1.62 0.42 3.09 0.00 -1.26 -4.54 107.32 103.05 3gbm s GLY 44 Ca 0.32 -0.22 -0.25 0.00 0.00 0.00 0.00 44.72 44.57 3gbm s GLY 44 CO 0.17 0.21 1.27 -4.14 0.00 0.00 0.00 173.10 170.60 3gbm s PRO 45 N -5.17 3.89 -0.12 2.90 0.02 -1.26 -4.46 135.00 130.80 3gbm s PRO 45 Ca 0.61 2.06 0.02 0.00 0.02 0.00 0.00 61.00 63.70 3gbm s PRO 45 Cb -0.14 -2.67 -0.01 0.00 0.02 0.00 0.00 34.50 31.70 3gbm s PRO 45 CO 0.54 -0.52 -0.18 -1.21 -0.33 0.00 0.00 177.00 175.30 3gbm s GLU 46 N -2.35 3.25 0.10 5.54 2.02 0.11 -4.98 118.70 122.39 3gbm s GLU 46 Ca 0.59 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 54.51 3gbm s GLU 46 Cb -0.36 -2.50 -0.06 0.00 0.10 0.00 0.00 34.13 31.32 3gbm s GLU 46 CO 0.45 0.20 1.06 -0.46 0.02 0.00 0.00 175.26 176.54 3gbm s TRP 47 N 0.35 3.63 -0.25 1.61 -0.00 -1.26 -0.56 118.94 122.45 3gbm s TRP 47 Ca -0.14 1.61 -0.16 0.00 -0.00 0.00 0.00 56.10 57.40 3gbm s TRP 47 Cb -0.17 -3.22 -0.15 0.00 -0.00 0.00 0.00 33.47 29.93 3gbm s TRP 47 CO 0.07 -0.43 -0.13 -1.33 -0.00 0.00 0.00 176.95 175.13 3gbm n MET 48 N 3.08 0.58 0.00 5.86 2.81 0.11 -4.65 117.12 124.91 3gbm n MET 48 Ca 0.05 0.38 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 3gbm n MET 48 Cb 0.48 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 3gbm n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gbm n GLY 49 N 1.35 -0.07 3.62 3.03 0.00 -1.17 -1.13 105.19 110.83 3gbm n GLY 49 Ca -0.46 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 3gbm n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gbm s GLY 50 N 0.00 0.81 -0.01 -0.02 0.00 -0.37 -0.11 107.32 107.62 3gbm s GLY 50 Ca 0.00 -1.05 0.04 0.00 0.00 0.00 0.00 44.72 43.71 3gbm s GLY 50 CO 0.00 -0.65 -0.13 -1.50 0.00 0.00 0.00 173.10 170.82 3gbm s ILE 51 N -3.22 1.00 -0.08 0.90 2.07 -0.45 -1.24 121.20 120.18 3gbm s ILE 51 Ca 0.23 -0.53 -0.11 0.00 -1.41 0.00 0.00 60.65 58.83 3gbm s ILE 51 Cb -0.02 -0.85 -0.05 0.00 0.13 0.00 0.00 42.46 41.67 3gbm s ILE 51 CO 0.14 0.29 0.27 -0.63 -1.91 0.00 0.00 174.94 173.09 3gbm s ILE 52 N -0.20 5.28 0.76 2.00 -1.09 -0.24 -2.71 121.20 125.00 3gbm s ILE 52 Ca 0.03 0.51 -0.11 0.00 -2.23 0.00 0.00 60.65 58.85 3gbm s ILE 52 Cb -0.06 -3.56 0.05 0.00 -1.58 0.00 0.00 42.46 37.31 3gbm s ILE 52 CO -0.00 0.57 1.09 -2.16 -1.23 0.00 0.00 174.94 173.21 3gbm s PRO 52 N -0.84 2.34 0.00 2.79 0.04 -1.26 -0.74 135.00 137.33 3gbm s PRO 52 Ca 0.19 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.43 3gbm s PRO 52 Cb -0.14 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3gbm s PRO 52 CO 0.08 -1.59 0.00 -0.89 0.04 0.00 0.00 177.00 174.64 3gbm n ILE 53 N -3.35 0.00 -0.26 0.56 2.08 -1.26 -3.93 119.36 113.20 3gbm n ILE 53 Ca 0.09 0.00 0.20 0.00 0.56 0.00 0.00 62.75 63.61 3gbm n ILE 53 Cb 0.53 0.00 0.52 0.00 -0.75 0.00 0.00 39.64 39.93 3gbm n ILE 53 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 3gbm h PHE 54 N 0.00 0.55 0.00 1.39 -1.00 -2.01 -3.45 116.94 112.42 3gbm h PHE 54 Ca 0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3gbm h PHE 54 Cb 0.00 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.39 3gbm h PHE 54 CO 0.00 0.12 0.00 0.41 -1.61 0.00 0.00 178.31 177.23 3gbm n GLY 55 N -1.51 0.71 3.79 -1.45 0.00 0.08 -4.98 105.19 101.82 3gbm n GLY 55 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3gbm n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gbm s THR 56 N -2.55 3.51 0.16 2.61 -4.23 -1.26 -4.61 115.64 109.27 3gbm s THR 56 Ca 0.00 0.84 0.10 0.00 -1.18 0.00 0.00 61.69 61.45 3gbm s THR 56 Cb 0.00 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 3gbm s THR 56 CO 0.00 -0.30 -0.16 0.42 -0.54 0.00 0.00 174.62 174.04 3gbm s THR 57 N -2.09 2.85 -0.05 3.99 -4.23 -1.26 -1.08 115.64 113.77 3gbm s THR 57 Ca 0.68 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 3gbm s THR 57 Cb -0.19 -2.36 0.02 0.00 1.34 0.00 0.00 72.50 71.31 3gbm s THR 57 CO 0.30 -0.03 -0.03 -0.54 -0.54 0.00 0.00 174.62 173.78 3gbm s LYS 58 N -2.52 0.71 0.30 3.99 1.02 -0.38 -5.00 119.74 117.87 3gbm s LYS 58 Ca 0.21 -0.03 0.11 0.00 0.02 0.00 0.00 55.97 56.27 3gbm s LYS 58 Cb -0.09 -0.82 -0.05 0.00 -0.52 0.00 0.00 37.83 36.34 3gbm s LYS 58 CO 0.12 -0.14 -0.13 0.71 -0.92 0.00 0.00 175.35 174.99 3gbm s TYR 59 N 1.17 2.39 0.22 3.18 2.02 -1.26 -1.24 117.35 123.83 3gbm s TYR 59 Ca -0.07 -0.38 -0.12 0.00 -0.37 0.00 0.00 57.07 56.13 3gbm s TYR 59 Cb -0.14 -1.18 -0.07 0.00 -0.40 0.00 0.00 41.96 40.17 3gbm s TYR 59 CO -0.01 0.64 0.58 0.00 -1.57 0.00 0.00 175.55 175.19 3gbm s ALA 60 N -2.52 3.53 0.30 3.71 0.00 -0.28 -4.85 121.76 121.65 3gbm s ALA 60 Ca 0.31 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.14 3gbm s ALA 60 Cb -0.02 -2.52 0.81 0.00 0.00 0.00 0.00 23.12 21.38 3gbm s ALA 60 CO 0.16 0.46 1.63 -1.35 0.00 0.00 0.00 175.76 176.67 3gbm h PRO 61 N 2.81 0.16 -0.20 0.00 0.11 -1.94 0.12 132.00 133.06 3gbm h PRO 61 Ca -0.47 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.68 3gbm h PRO 61 Cb 1.18 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3gbm h PRO 61 CO 0.68 0.10 0.17 -0.22 -0.21 0.00 0.00 178.00 178.51 3gbm h LYS 62 N 0.16 0.00 0.00 1.05 3.64 -1.94 -3.20 116.57 116.29 3gbm h LYS 62 Ca 0.60 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 3gbm h LYS 62 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3gbm h LYS 62 CO -0.71 0.00 -0.95 1.19 -2.27 0.00 0.00 179.45 176.71 3gbm n PHE 63 N -4.23 0.00 -1.52 1.91 3.72 -0.31 -5.01 117.46 112.03 3gbm n PHE 63 Ca 0.02 0.00 -0.63 0.00 -0.05 0.00 0.00 57.45 56.79 3gbm n PHE 63 Cb 0.30 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.73 3gbm n PHE 63 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3gbm n GLN 64 N -1.48 0.00 0.00 -1.08 -0.06 0.28 -0.40 117.38 114.65 3gbm n GLN 64 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3gbm n GLN 64 Cb 0.01 -1.45 0.00 0.00 -4.06 0.00 0.00 30.24 24.74 3gbm n GLN 64 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3gbm n GLY 65 N 5.00 1.84 0.00 1.69 0.00 -1.26 -4.89 105.19 107.57 3gbm n GLY 65 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3gbm n GLY 65 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gbm n ARG 66 N -0.21 0.59 -4.91 1.61 1.85 0.47 -5.06 116.66 111.01 3gbm n ARG 66 Ca 0.00 -0.68 -0.33 0.00 -1.00 0.00 0.00 57.85 55.85 3gbm n ARG 66 Cb 0.00 -0.61 -0.13 0.00 -1.05 0.00 0.00 32.46 30.67 3gbm n ARG 66 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3gbm s VAL 67 N -0.20 3.02 -0.14 8.89 0.11 -1.19 -4.19 120.40 126.70 3gbm s VAL 67 Ca 0.00 -0.74 -0.01 0.00 -2.93 0.00 0.00 61.98 58.30 3gbm s VAL 67 Cb 0.00 -2.18 0.03 0.00 -1.53 0.00 0.00 36.38 32.71 3gbm s VAL 67 CO 0.00 0.59 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.41 3gbm s THR 68 N -0.72 1.03 -0.17 5.04 2.01 0.31 -4.96 115.64 118.18 3gbm s THR 68 Ca 0.11 -0.42 -0.09 0.00 0.31 0.00 0.00 61.69 61.60 3gbm s THR 68 Cb -0.11 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 71.23 3gbm s THR 68 CO 0.00 0.25 0.14 -0.63 -0.69 0.00 0.00 174.62 173.70 3gbm s ILE 69 N 1.69 5.43 0.13 1.82 1.01 -1.26 -1.28 121.20 128.73 3gbm s ILE 69 Ca 0.03 0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.89 3gbm s ILE 69 Cb -0.14 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 3gbm s ILE 69 CO -0.08 0.49 0.05 0.42 0.00 0.00 0.00 174.94 175.82 3gbm s THR 70 N -0.04 0.15 0.11 2.92 -4.23 -0.54 -4.98 115.64 109.04 3gbm s THR 70 Ca 0.11 -1.91 0.06 0.00 -1.18 0.00 0.00 61.69 58.77 3gbm s THR 70 Cb -0.11 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 3gbm s THR 70 CO 0.00 -0.50 -0.15 0.00 -0.54 0.00 0.00 174.62 173.43 3gbm s ALA 71 N -4.01 1.48 -0.49 3.99 0.00 -1.26 0.61 121.76 122.07 3gbm s ALA 71 Ca 0.23 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.98 3gbm s ALA 71 Cb 0.07 -0.10 0.15 0.00 0.00 0.00 0.00 23.12 23.25 3gbm s ALA 71 CO 0.01 0.14 0.33 0.34 0.00 0.00 0.00 175.76 176.58 3gbm s ASP 72 N -2.27 3.30 0.59 0.00 -1.08 0.14 -4.97 116.67 112.38 3gbm s ASP 72 Ca 0.07 -3.03 0.32 0.00 -0.52 0.00 0.00 52.55 49.38 3gbm s ASP 72 Cb -0.06 -0.99 1.83 0.00 -1.46 0.00 0.00 42.92 42.23 3gbm s ASP 72 CO 0.03 -0.20 2.23 0.44 0.52 0.00 0.00 175.17 178.19 3gbm h ASP 73 N 6.11 0.00 0.92 -0.34 3.45 -1.92 0.61 116.42 125.26 3gbm h ASP 73 Ca 0.11 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.43 3gbm h ASP 73 Cb 0.88 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.63 3gbm h ASP 73 CO 0.50 0.03 -0.67 -0.26 -1.57 0.00 0.00 179.24 177.27 3gbm h PHE 74 N 0.00 0.00 -0.01 4.55 0.04 -1.94 -3.03 116.94 116.55 3gbm h PHE 74 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3gbm h PHE 74 Cb 0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.25 3gbm h PHE 74 CO 0.00 0.67 -0.16 0.00 -0.60 0.00 0.00 178.31 178.22 3gbm n ALA 75 N -2.34 2.88 -3.23 2.45 0.00 0.15 -4.78 120.51 115.64 3gbm n ALA 75 Ca -0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 53.44 52.80 3gbm n ALA 75 Cb 0.71 -1.10 0.05 0.00 0.00 0.00 0.00 19.45 19.11 3gbm n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gbm n GLY 76 N 1.28 -0.26 2.93 0.00 0.00 -0.83 -4.81 105.19 103.50 3gbm n GLY 76 Ca 0.15 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 3gbm n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gbm s THR 77 N -3.20 0.65 0.19 2.61 2.01 -1.11 -0.79 115.64 116.01 3gbm s THR 77 Ca 0.40 -0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.28 3gbm s THR 77 Cb -0.18 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 3gbm s THR 77 CO 0.50 0.24 -0.03 0.68 -0.69 0.00 0.00 174.62 175.32 3gbm s VAL 78 N 0.78 3.51 0.11 3.82 -7.23 -0.57 0.26 120.40 121.08 3gbm s VAL 78 Ca -0.12 -1.58 0.07 0.00 -1.81 0.00 0.00 61.98 58.55 3gbm s VAL 78 Cb -0.14 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 3gbm s VAL 78 CO 0.01 -0.15 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.15 3gbm s TYR 79 N -1.81 1.66 -0.07 2.82 2.02 0.20 -0.75 117.35 121.42 3gbm s TYR 79 Ca 0.27 -0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 56.52 3gbm s TYR 79 Cb -0.09 -0.89 0.02 0.00 -0.40 0.00 0.00 41.96 40.61 3gbm s TYR 79 CO 0.18 0.20 -0.04 1.41 -1.57 0.00 0.00 175.55 175.73 3gbm s MET 80 N -2.18 0.93 -0.16 -0.62 1.75 -0.31 -1.46 119.30 117.24 3gbm s MET 80 Ca 0.07 -0.07 0.01 0.00 -1.25 0.00 0.00 55.69 54.46 3gbm s MET 80 Cb -0.08 -1.06 0.02 0.00 2.84 0.00 0.00 34.83 36.54 3gbm s MET 80 CO 0.04 -0.19 -0.19 -2.00 -0.65 0.00 0.00 175.02 172.03 3gbm s GLU 81 N 1.45 2.87 0.21 4.11 2.12 -0.41 -0.68 118.70 128.37 3gbm s GLU 81 Ca -0.02 -0.79 0.10 0.00 0.36 0.00 0.00 54.97 54.62 3gbm s GLU 81 Cb -0.13 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 31.76 3gbm s GLU 81 CO -0.03 -0.17 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.21 3gbm s LEU 82 N 1.20 2.79 -0.26 2.70 2.96 -0.69 -0.53 118.68 126.85 3gbm s LEU 82 Ca 0.02 -0.73 -0.06 0.00 -0.22 0.00 0.00 54.13 53.13 3gbm s LEU 82 Cb -0.14 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.12 3gbm s LEU 82 CO -0.10 0.09 0.11 -1.20 -1.32 0.00 0.00 176.35 173.93 3gbm n SER 82 N -0.10 -0.66 -4.78 3.68 7.64 -1.10 -2.26 113.62 116.04 3gbm n SER 82 Ca -0.10 -0.27 -0.35 0.00 1.01 0.00 0.00 58.87 59.16 3gbm n SER 82 Cb 0.57 -0.32 -0.01 0.00 -1.01 0.00 0.00 64.21 63.43 3gbm n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gbm s LEU 82 N -5.24 3.86 0.21 -3.43 1.43 -0.90 -4.63 118.68 109.99 3gbm s LEU 82 Ca 0.08 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.34 3gbm s LEU 82 Cb -0.05 -4.47 -0.05 0.00 0.03 0.00 0.00 46.19 41.65 3gbm s LEU 82 CO 0.20 -1.00 0.03 -0.13 0.23 0.00 0.00 176.35 175.69 3gbm s ARG 83 N -3.08 1.25 0.52 1.70 0.52 -1.26 -0.22 118.95 118.38 3gbm s ARG 83 Ca 0.68 -1.64 0.29 0.00 -0.52 0.00 0.00 55.73 54.54 3gbm s ARG 83 Cb -0.23 -0.33 1.40 0.00 0.52 0.00 0.00 34.95 36.31 3gbm s ARG 83 CO 0.27 -0.18 2.03 0.66 0.02 0.00 0.00 175.30 178.10 3gbm h SER 84 N 2.55 0.00 0.17 0.23 4.64 -1.97 -1.01 113.55 118.16 3gbm h SER 84 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3gbm h SER 84 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3gbm h SER 84 CO 0.62 0.12 0.00 -0.62 -0.87 0.00 0.00 176.83 176.08 3gbm n GLU 85 N -3.47 0.60 0.00 4.77 1.02 -1.26 -1.70 120.64 120.60 3gbm n GLU 85 Ca -0.01 0.03 0.13 0.00 -0.02 0.00 0.00 57.16 57.28 3gbm n GLU 85 Cb 0.28 -1.50 0.41 0.00 -0.02 0.00 0.00 31.44 30.61 3gbm n GLU 85 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3gbm n ASP 86 N -1.11 0.66 -4.63 1.62 8.00 -0.38 -4.82 116.55 115.89 3gbm n ASP 86 Ca 0.16 -0.52 -0.43 0.00 0.71 0.00 0.00 54.79 54.71 3gbm n ASP 86 Cb 0.12 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 3gbm n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3gbm n THR 87 N -1.04 0.56 -3.76 -3.53 -1.04 -0.69 -4.83 114.28 99.96 3gbm n THR 87 Ca 0.10 -0.29 -0.01 0.00 -2.04 0.00 0.00 64.05 61.81 3gbm n THR 87 Cb 0.33 -2.42 -0.00 0.00 -1.82 0.00 0.00 70.33 66.42 3gbm n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gbm s ALA 88 N 6.28 -1.93 -0.13 2.41 0.00 -0.70 -4.50 121.76 123.19 3gbm s ALA 88 Ca 0.95 0.20 -0.19 0.00 0.00 0.00 0.00 51.96 52.92 3gbm s ALA 88 Cb -0.40 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 3gbm s ALA 88 CO 0.39 -1.06 0.53 1.41 0.00 0.00 0.00 175.76 177.02 3gbm s MET 89 N -2.61 4.32 -0.27 0.00 -2.45 -0.10 -2.01 119.30 116.18 3gbm s MET 89 Ca 0.17 0.51 -0.06 0.00 -1.25 0.00 0.00 55.69 55.06 3gbm s MET 89 Cb 0.01 -3.47 0.00 0.00 1.25 0.00 0.00 34.83 32.62 3gbm s MET 89 CO 0.01 0.06 0.04 0.71 1.05 0.00 0.00 175.02 176.89 3gbm s TYR 90 N 0.92 3.09 -0.12 4.11 2.02 0.62 -0.64 117.35 127.35 3gbm s TYR 90 Ca 0.27 -0.96 -0.04 0.00 -0.37 0.00 0.00 57.07 55.98 3gbm s TYR 90 Cb -0.16 -2.20 -0.03 0.00 -0.40 0.00 0.00 41.96 39.17 3gbm s TYR 90 CO 0.11 -0.56 0.02 0.71 -1.57 0.00 0.00 175.55 174.26 3gbm s TYR 91 N 1.49 3.19 0.05 2.71 2.02 0.10 -1.73 117.35 125.18 3gbm s TYR 91 Ca 0.03 0.11 -0.15 0.00 -0.37 0.00 0.00 57.07 56.70 3gbm s TYR 91 Cb -0.16 -1.89 -0.06 0.00 -0.40 0.00 0.00 41.96 39.45 3gbm s TYR 91 CO 0.01 0.34 0.46 0.00 -1.57 0.00 0.00 175.55 174.79 3gbm s ALA 93 N -1.20 0.01 0.14 0.00 0.00 -0.18 -0.87 121.76 119.66 3gbm s ALA 93 Ca 0.29 0.11 -0.08 0.00 0.00 0.00 0.00 51.96 52.27 3gbm s ALA 93 Cb -0.16 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 3gbm s ALA 93 CO 0.16 -0.04 0.43 -1.59 0.00 0.00 0.00 175.76 174.72 3gbm s LYS 94 N 0.33 3.72 0.65 0.00 -2.85 -0.52 0.01 119.74 121.09 3gbm s LYS 94 Ca -0.03 0.11 -0.01 0.00 -1.00 0.00 0.00 55.97 55.05 3gbm s LYS 94 Cb -0.04 -2.86 0.08 0.00 -2.06 0.00 0.00 37.83 32.95 3gbm s LYS 94 CO -0.01 0.47 0.91 -1.01 0.10 0.00 0.00 175.35 175.81 3gbm s HIS 95 N -1.59 2.25 0.27 1.78 3.76 -0.74 -1.57 115.29 119.45 3gbm s HIS 95 Ca 0.39 -0.09 0.12 0.00 -0.15 0.00 0.00 55.06 55.33 3gbm s HIS 95 Cb -0.13 -2.93 0.43 0.00 1.11 0.00 0.00 32.58 31.07 3gbm s HIS 95 CO 0.21 -1.34 1.65 0.52 -0.85 0.00 0.00 174.74 174.92 3gbm h MET 96 N -0.30 0.00 0.00 1.40 0.00 -1.87 -3.44 114.93 110.72 3gbm h MET 96 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.30 3gbm h MET 96 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.88 3gbm h MET 96 CO 0.47 0.57 0.00 0.41 0.00 0.00 0.00 176.91 178.36 3gbm n GLY 97 N 0.18 5.40 0.17 8.32 0.00 -1.26 -4.90 105.19 113.09 3gbm n GLY 97 Ca -0.01 -1.33 0.05 0.00 0.00 0.00 0.00 46.02 44.73 3gbm n GLY 97 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3gbm h TYR 98 N 0.00 0.00 -3.42 1.61 -0.00 -1.89 0.14 116.97 113.41 3gbm h TYR 98 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 58.73 58.19 3gbm h TYR 98 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 36.69 3gbm h TYR 98 CO 0.00 0.37 0.07 -0.65 -0.00 0.00 0.00 178.16 177.95 3gbm s GLN 99 N -3.11 4.32 0.18 0.10 -0.21 -1.26 -3.93 119.66 115.75 3gbm s GLN 99 Ca 0.04 0.89 -0.30 0.00 0.02 0.00 0.00 55.36 56.01 3gbm s GLN 99 Cb 0.07 -3.14 -0.08 0.00 1.00 0.00 0.00 33.01 30.87 3gbm s GLN 99 CO 0.72 0.55 1.05 0.14 -2.12 0.00 0.00 175.29 175.62 3gbm s VAL 100 N -1.25 3.98 0.15 1.09 -7.23 -1.26 -4.71 120.40 111.17 3gbm s VAL 100 Ca 0.35 1.76 -0.25 0.00 -1.81 0.00 0.00 61.98 62.03 3gbm s VAL 100 Cb -0.20 -4.12 0.06 0.00 0.56 0.00 0.00 36.38 32.68 3gbm s VAL 100 CO 0.22 0.33 0.92 -0.60 -0.31 0.00 0.00 175.10 175.66 3gbm s ARG 100 N -0.53 1.22 0.18 4.82 3.52 -1.26 -5.04 118.95 121.86 3gbm s ARG 100 Ca 0.47 -0.66 0.16 0.00 -0.13 0.00 0.00 55.73 55.58 3gbm s ARG 100 Cb -0.28 0.43 0.77 0.00 -1.56 0.00 0.00 34.95 34.31 3gbm s ARG 100 CO 0.34 -0.56 1.50 -0.85 -0.81 0.00 0.00 175.30 174.92 3gbm n GLU 100 N -0.45 0.10 -3.65 5.12 0.00 -1.26 -4.62 120.64 115.89 3gbm n GLU 100 Ca -0.06 0.48 -0.39 0.00 0.00 0.00 0.00 57.16 57.19 3gbm n GLU 100 Cb 0.61 -1.76 -0.12 0.00 0.00 0.00 0.00 31.44 30.17 3gbm n GLU 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 3gbm s THR 100 N -3.27 4.44 -0.18 3.84 2.01 -1.26 -5.05 115.64 116.17 3gbm s THR 100 Ca 0.01 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.28 3gbm s THR 100 Cb 0.06 -3.40 0.04 0.00 0.01 0.00 0.00 72.50 69.22 3gbm s THR 100 CO 0.22 -0.10 -0.07 -0.04 -0.69 0.00 0.00 174.62 173.94 3gbm s MET 100 N 1.55 1.67 0.00 4.92 -1.94 -1.26 -3.56 119.30 120.68 3gbm s MET 100 Ca 0.03 -0.66 0.22 0.00 -1.71 0.00 0.00 55.69 53.56 3gbm s MET 100 Cb -0.18 -2.19 -0.21 0.00 2.01 0.00 0.00 34.83 34.25 3gbm s MET 100 CO 0.06 -0.44 0.77 -0.40 -0.01 0.00 0.00 175.02 175.00 3gbm n ASP 101 N 4.79 0.54 -3.83 3.03 5.75 -0.61 -4.86 116.55 121.37 3gbm n ASP 101 Ca -0.13 -0.45 -0.14 0.00 -0.01 0.00 0.00 54.79 54.06 3gbm n ASP 101 Cb 0.47 1.33 -0.15 0.00 -1.03 0.00 0.00 41.12 41.74 3gbm n ASP 101 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3gbm s VAL 102 N -3.24 0.01 0.13 2.12 1.01 -1.24 -5.05 120.40 114.14 3gbm s VAL 102 Ca 0.01 0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.18 3gbm s VAL 102 Cb 0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.41 3gbm s VAL 102 CO 0.87 0.06 -0.24 0.26 0.00 0.00 0.00 175.10 176.05 3gbm s TRP 103 N 0.53 2.09 0.81 5.22 0.52 -1.26 -1.44 118.94 125.41 3gbm s TRP 103 Ca -0.05 -0.40 -0.12 0.00 0.02 0.00 0.00 56.10 55.56 3gbm s TRP 103 Cb -0.07 -1.12 0.08 0.00 -1.15 0.00 0.00 33.47 31.21 3gbm s TRP 103 CO -0.01 0.32 1.10 0.20 0.02 0.00 0.00 176.95 178.57 3gbm s GLY 104 N -2.14 1.62 0.44 0.98 0.00 -0.04 -4.66 107.32 103.51 3gbm s GLY 104 Ca 0.13 -0.22 0.14 0.00 0.00 0.00 0.00 44.72 44.77 3gbm s GLY 104 CO 0.06 0.22 1.97 0.50 0.00 0.00 0.00 173.10 175.85 3gbm h LYS 105 N -1.12 0.00 0.00 2.90 6.56 -1.91 -3.45 116.57 119.55 3gbm h LYS 105 Ca -0.47 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 3gbm h LYS 105 Cb 1.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 3gbm h LYS 105 CO 0.59 0.20 0.00 0.41 -2.06 0.00 0.00 179.45 178.60 3gbm n GLY 106 N -0.95 3.07 2.85 3.86 0.00 -1.26 -5.03 105.19 107.73 3gbm n GLY 106 Ca -0.02 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 3gbm n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gbm s THR 107 N -2.39 0.01 -0.00 2.61 -1.32 -0.71 -4.93 115.64 108.92 3gbm s THR 107 Ca 0.00 0.03 -0.17 0.00 -1.21 0.00 0.00 61.69 60.35 3gbm s THR 107 Cb 0.00 -0.05 -0.06 0.00 -1.51 0.00 0.00 72.50 70.89 3gbm s THR 107 CO 0.00 0.03 0.46 0.42 -2.21 0.00 0.00 174.62 173.32 3gbm s THR 108 N 0.23 4.98 -0.12 5.08 -4.23 -1.26 -0.28 115.64 120.03 3gbm s THR 108 Ca -0.02 0.96 0.03 0.00 -1.18 0.00 0.00 61.69 61.48 3gbm s THR 108 Cb -0.03 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.03 3gbm s THR 108 CO -0.01 0.53 -0.21 0.54 -0.54 0.00 0.00 174.62 174.93 3gbm s VAL 109 N -0.79 2.26 -0.24 2.29 0.11 -0.85 -1.29 120.40 121.89 3gbm s VAL 109 Ca 0.26 -0.93 -0.08 0.00 -2.93 0.00 0.00 61.98 58.29 3gbm s VAL 109 Cb -0.17 -1.89 -0.04 0.00 -1.53 0.00 0.00 36.38 32.74 3gbm s VAL 109 CO 0.14 0.55 0.10 -0.89 -3.33 0.00 0.00 175.10 171.67 3gbm s THR 110 N 0.51 4.76 -0.43 5.04 2.01 -0.77 -1.73 115.64 125.03 3gbm s THR 110 Ca -0.13 -0.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.75 3gbm s THR 110 Cb -0.17 -3.22 0.09 0.00 0.01 0.00 0.00 72.50 69.22 3gbm s THR 110 CO 0.05 0.35 0.29 -0.69 -0.69 0.00 0.00 174.62 173.93 3gbm s VAL 111 N 1.25 4.26 0.08 3.82 1.01 -1.26 -1.26 120.40 128.30 3gbm s VAL 111 Ca 0.06 -1.49 0.03 0.00 0.00 0.00 0.00 61.98 60.57 3gbm s VAL 111 Cb -0.14 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3gbm s VAL 111 CO 0.05 -0.58 -0.09 -0.55 0.00 0.00 0.00 175.10 173.92 3gbm s SER 112 N 2.29 1.19 0.00 3.32 0.15 -0.64 -4.31 113.70 115.70 3gbm s SER 112 Ca 0.04 -0.74 0.29 0.00 0.70 0.00 0.00 55.95 56.24 3gbm s SER 112 Cb -0.24 0.03 1.36 0.00 -1.71 0.00 0.00 66.02 65.46 3gbm s SER 112 CO 0.01 -0.27 1.96 -1.54 1.20 0.00 0.00 173.24 174.61 3gbm n SER 113 N 0.82 0.10 -4.76 5.45 3.41 -1.26 -3.83 113.62 113.55 3gbm n SER 113 Ca -0.18 -0.06 -0.41 0.00 -0.26 0.00 0.00 58.87 57.96 3gbm n SER 113 Cb 0.57 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 3gbm n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gbm s ALA 114 N -2.68 3.51 0.70 7.33 0.00 -1.26 -5.00 121.76 124.36 3gbm s ALA 114 Ca 0.24 1.21 -0.08 0.00 0.00 0.00 0.00 51.96 53.32 3gbm s ALA 114 Cb 0.20 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.89 3gbm s ALA 114 CO 0.49 -0.59 1.03 -1.12 0.00 0.00 0.00 175.76 175.57 3gbm s SER 115 N -0.22 5.04 0.04 0.00 0.01 -1.26 -4.90 113.70 112.41 3gbm s SER 115 Ca 0.52 0.68 -0.30 0.00 1.31 0.00 0.00 55.95 58.16 3gbm s SER 115 Cb -0.39 -1.41 -0.05 0.00 0.21 0.00 0.00 66.02 64.39 3gbm s SER 115 CO 0.47 -1.49 1.12 0.42 0.41 0.00 0.00 173.24 174.18 3gbm s THR 116 N -3.27 4.32 -0.03 1.44 -4.23 -1.26 -4.66 115.64 107.95 3gbm s THR 116 Ca 0.59 1.66 0.01 0.00 -1.18 0.00 0.00 61.69 62.77 3gbm s THR 116 Cb -0.11 -4.07 0.01 0.00 1.34 0.00 0.00 72.50 69.68 3gbm s THR 116 CO 0.47 0.13 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.88 3gbm s LYS 117 N 1.04 0.67 0.56 3.99 2.20 -0.03 -4.90 119.74 123.27 3gbm s LYS 117 Ca 0.56 -0.13 -0.17 0.00 -0.36 0.00 0.00 55.97 55.87 3gbm s LYS 117 Cb -0.27 -0.68 -0.05 0.00 -1.51 0.00 0.00 37.83 35.32 3gbm s LYS 117 CO 0.29 -0.00 1.06 0.20 -0.36 0.00 0.00 175.35 176.53 3gbm s GLY 118 N 0.53 2.27 0.67 5.54 0.00 -1.26 -0.86 107.32 114.22 3gbm s GLY 118 Ca -0.07 0.50 -0.11 0.00 0.00 0.00 0.00 44.72 45.04 3gbm s GLY 118 CO -0.00 0.82 1.05 2.56 0.00 0.00 0.00 173.10 177.53 3gbm s PRO 119 N -3.78 3.12 -0.16 2.90 0.04 -1.26 -4.59 135.00 131.27 3gbm s PRO 119 Ca 0.66 0.86 -0.09 0.00 0.04 0.00 0.00 61.00 62.46 3gbm s PRO 119 Cb -0.17 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 3gbm s PRO 119 CO 0.32 -0.94 0.16 -1.12 0.04 0.00 0.00 177.00 175.45 3gbm s SER 120 N -3.94 6.33 -0.31 6.66 0.01 -0.55 -4.91 113.70 116.98 3gbm s SER 120 Ca 0.57 0.38 -0.00 0.00 1.31 0.00 0.00 55.95 58.21 3gbm s SER 120 Cb -0.13 -2.10 0.06 0.00 0.21 0.00 0.00 66.02 64.07 3gbm s SER 120 CO 0.55 0.27 0.01 -0.69 0.41 0.00 0.00 173.24 173.78 3gbm s VAL 121 N -0.22 2.80 0.11 3.43 1.01 -1.26 -0.08 120.40 126.18 3gbm s VAL 121 Ca 0.12 -1.61 0.02 0.00 0.00 0.00 0.00 61.98 60.50 3gbm s VAL 121 Cb -0.12 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3gbm s VAL 121 CO 0.02 -0.21 0.22 -0.36 0.00 0.00 0.00 175.10 174.77 3gbm s PHE 122 N 1.17 3.45 0.27 5.22 0.08 0.49 -4.93 117.98 123.73 3gbm s PHE 122 Ca -0.03 0.16 -0.21 0.00 0.12 0.00 0.00 56.93 56.98 3gbm s PHE 122 Cb -0.20 -1.69 -0.09 0.00 -0.57 0.00 0.00 43.02 40.47 3gbm s PHE 122 CO -0.03 0.55 0.79 -1.25 -0.10 0.00 0.00 175.22 175.18 3gbm s PRO 123 N -2.84 4.29 -0.35 0.24 0.04 -1.26 -0.38 135.00 134.74 3gbm s PRO 123 Ca 0.34 0.96 -0.04 0.00 0.04 0.00 0.00 61.00 62.30 3gbm s PRO 123 Cb -0.12 -2.77 0.07 0.00 0.04 0.00 0.00 34.50 31.72 3gbm s PRO 123 CO 0.27 0.32 0.11 -0.51 0.04 0.00 0.00 177.00 177.23 3gbm s LEU 124 N -2.18 4.55 0.26 -3.56 1.43 -0.06 -4.79 118.68 114.34 3gbm s LEU 124 Ca 0.47 -1.53 -0.21 0.00 -1.03 0.00 0.00 54.13 51.84 3gbm s LEU 124 Cb -0.16 -1.80 -0.09 0.00 0.03 0.00 0.00 46.19 44.17 3gbm s LEU 124 CO 0.21 -0.39 0.78 0.00 0.23 0.00 0.00 176.35 177.18 3gbm s ALA 125 N 1.26 3.34 1.19 4.21 0.00 -1.26 -1.07 121.76 129.43 3gbm s ALA 125 Ca 0.01 0.24 -0.17 0.00 0.00 0.00 0.00 51.96 52.04 3gbm s ALA 125 Cb -0.21 -2.90 0.26 0.00 0.00 0.00 0.00 23.12 20.26 3gbm s ALA 125 CO -0.01 0.29 0.58 -2.30 0.00 0.00 0.00 175.76 174.32 3gbm n PRO 126 N 0.51 -2.93 -1.33 0.00 -0.02 -1.24 -4.87 135.00 125.12 3gbm n PRO 126 Ca -0.00 -0.98 0.00 0.00 -2.02 0.00 0.00 63.50 60.50 3gbm n PRO 126 Cb 0.51 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 3gbm n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gbm n GLY 136 N -3.21 -2.18 0.00 -1.23 0.00 -1.26 -4.94 105.19 92.37 3gbm n GLY 136 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3gbm n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gbm n THR 137 N -2.04 0.00 -3.60 2.61 -2.24 -1.26 -4.15 114.28 103.60 3gbm n THR 137 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 3gbm n THR 137 Cb 0.20 -0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 67.76 3gbm n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gbm s ALA 138 N -2.89 -2.01 -0.10 6.98 0.00 -0.80 -4.60 121.76 118.33 3gbm s ALA 138 Ca 0.00 1.68 -0.02 0.00 0.00 0.00 0.00 51.96 53.62 3gbm s ALA 138 Cb 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 3gbm s ALA 138 CO 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 175.76 175.43 3gbm s ALA 139 N -1.28 3.25 0.18 0.00 0.00 -1.26 -1.28 121.76 121.37 3gbm s ALA 139 Ca 0.04 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.22 3gbm s ALA 139 Cb -0.01 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.57 3gbm s ALA 139 CO -0.03 0.54 -0.05 -0.48 0.00 0.00 0.00 175.76 175.74 3gbm s LEU 140 N -0.72 2.33 0.00 0.00 2.34 -0.83 -3.73 118.68 118.08 3gbm s LEU 140 Ca 0.11 -1.12 0.00 0.00 0.06 0.00 0.00 54.13 53.18 3gbm s LEU 140 Cb -0.12 -0.27 0.00 0.00 -0.56 0.00 0.00 46.19 45.24 3gbm s LEU 140 CO 0.02 -0.44 0.00 0.61 -1.06 0.00 0.00 176.35 175.48 3gbm n GLY 141 N -0.29 1.97 2.83 -3.48 0.00 -0.23 -0.49 105.19 105.49 3gbm n GLY 141 Ca -0.08 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 3gbm n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbm s LEU 143 N 0.86 4.09 -0.35 0.00 2.96 0.49 -1.56 118.68 125.17 3gbm s LEU 143 Ca -0.08 0.65 -0.03 0.00 -0.22 0.00 0.00 54.13 54.45 3gbm s LEU 143 Cb -0.12 -2.75 0.07 0.00 0.50 0.00 0.00 46.19 43.89 3gbm s LEU 143 CO -0.02 -0.28 0.10 -0.69 -1.32 0.00 0.00 176.35 174.15 3gbm s VAL 144 N 2.12 3.22 -0.05 1.68 1.01 0.61 -0.38 120.40 128.61 3gbm s VAL 144 Ca 0.24 -1.64 0.06 0.00 0.00 0.00 0.00 61.98 60.64 3gbm s VAL 144 Cb -0.16 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 3gbm s VAL 144 CO 0.09 -0.37 -0.22 -0.75 0.00 0.00 0.00 175.10 173.86 3gbm s LYS 145 N 1.22 2.48 -0.62 2.72 2.47 0.88 -0.64 119.74 128.26 3gbm s LYS 145 Ca 0.01 -0.84 -0.16 0.00 -1.56 0.00 0.00 55.97 53.41 3gbm s LYS 145 Cb -0.21 -2.22 0.02 0.00 -1.46 0.00 0.00 37.83 33.97 3gbm s LYS 145 CO -0.02 0.48 0.64 -0.25 0.16 0.00 0.00 175.35 176.36 3gbm n ASP 146 N 2.70 -5.97 -4.28 1.43 8.00 -0.58 -1.48 116.55 116.37 3gbm n ASP 146 Ca -0.17 -0.33 -0.23 0.00 0.71 0.00 0.00 54.79 54.78 3gbm n ASP 146 Cb 0.52 -2.75 -0.12 0.00 -0.02 0.00 0.00 41.12 38.74 3gbm n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3gbm s TYR 147 N -2.39 1.71 -0.07 1.24 -0.85 -0.32 -4.24 117.35 112.42 3gbm s TYR 147 Ca 0.17 -0.43 -0.05 0.00 -0.52 0.00 0.00 57.07 56.24 3gbm s TYR 147 Cb -0.02 -0.93 0.02 0.00 0.38 0.00 0.00 41.96 41.41 3gbm s TYR 147 CO 0.85 0.20 0.17 0.12 -1.52 0.00 0.00 175.55 175.37 3gbm s PHE 148 N -1.33 -0.19 0.00 -3.49 5.36 -0.04 -0.17 117.98 118.13 3gbm s PHE 148 Ca 0.07 0.48 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 3gbm s PHE 148 Cb -0.09 0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.62 3gbm s PHE 148 CO 0.04 -0.12 0.00 -0.35 -1.46 0.00 0.00 175.22 173.33 3gbm n PRO 149 N 3.38 1.35 -2.01 10.12 -0.04 -1.26 -0.85 135.00 145.68 3gbm n PRO 149 Ca -0.17 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.93 3gbm n PRO 149 Cb 0.57 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.06 3gbm n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3gbm s GLU 150 N -1.47 3.09 0.32 0.54 0.41 -1.26 -4.73 118.70 115.59 3gbm s GLU 150 Ca 0.00 1.87 0.03 0.00 -0.41 0.00 0.00 54.97 56.46 3gbm s GLU 150 Cb 0.00 -2.03 0.03 0.00 -1.78 0.00 0.00 34.13 30.35 3gbm s GLU 150 CO 0.00 -1.13 0.23 -0.35 -0.49 0.00 0.00 175.26 173.53 3gbm n PRO 151 N -1.39 1.02 -3.92 0.39 -0.04 -1.26 -5.00 135.00 124.80 3gbm n PRO 151 Ca 0.12 -2.00 -0.11 0.00 -0.04 0.00 0.00 63.50 61.48 3gbm n PRO 151 Cb 0.49 0.22 -0.12 0.00 -0.04 0.00 0.00 33.50 34.05 3gbm n PRO 151 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3gbm s VAL 152 N -1.59 0.06 -0.19 0.52 0.11 -1.26 -4.56 120.40 113.48 3gbm s VAL 152 Ca 0.18 -0.46 -0.05 0.00 -2.93 0.00 0.00 61.98 58.72 3gbm s VAL 152 Cb -0.01 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.66 3gbm s VAL 152 CO 0.11 -0.25 0.00 -0.89 -3.33 0.00 0.00 175.10 170.75 3gbm s THR 153 N -0.74 4.10 -0.20 5.04 2.01 -0.08 -4.99 115.64 120.79 3gbm s THR 153 Ca -0.08 -0.27 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 3gbm s THR 153 Cb -0.05 -2.84 0.01 0.00 0.01 0.00 0.00 72.50 69.63 3gbm s THR 153 CO -0.00 0.45 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.55 3gbm s VAL 154 N 0.74 2.59 0.11 3.82 1.01 -1.26 -0.94 120.40 126.47 3gbm s VAL 154 Ca 0.00 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.28 3gbm s VAL 154 Cb -0.14 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3gbm s VAL 154 CO 0.02 0.46 -0.25 -0.94 0.00 0.00 0.00 175.10 174.39 3gbm s SER 156 N 1.36 3.39 -0.13 3.32 1.04 -0.65 -4.96 113.70 117.07 3gbm s SER 156 Ca 0.05 -0.68 -0.06 0.00 0.48 0.00 0.00 55.95 55.73 3gbm s SER 156 Cb -0.14 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.65 3gbm s SER 156 CO -0.09 0.20 0.09 0.26 0.98 0.00 0.00 173.24 174.68 3gbm s TRP 157 N -1.02 3.41 -1.18 5.02 0.52 -1.26 0.07 118.94 124.49 3gbm s TRP 157 Ca 0.14 0.34 -0.32 0.00 0.02 0.00 0.00 56.10 56.29 3gbm s TRP 157 Cb -0.10 -1.95 0.04 0.00 -1.15 0.00 0.00 33.47 30.31 3gbm s TRP 157 CO 0.06 0.52 0.69 0.09 0.02 0.00 0.00 176.95 178.33 3gbm n ASN 162 N 2.47 -4.32 -1.92 2.95 3.02 -0.42 -0.85 115.26 116.18 3gbm n ASN 162 Ca -0.19 -1.25 -0.13 0.00 -0.03 0.00 0.00 54.58 52.98 3gbm n ASN 162 Cb 0.54 -1.84 -0.03 0.00 -0.61 0.00 0.00 39.78 37.83 3gbm n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3gbm n SER 163 N -2.22 -3.87 0.00 6.41 7.64 -1.26 -0.75 113.62 119.57 3gbm n SER 163 Ca -0.12 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.01 3gbm n SER 163 Cb 0.57 -3.43 0.00 0.00 -1.01 0.00 0.00 64.21 60.34 3gbm n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gbm n GLY 164 N -0.55 0.84 0.13 0.23 0.00 -0.03 -5.00 105.19 100.82 3gbm n GLY 164 Ca -0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 3gbm n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbm h ALA 165 N 0.00 0.09 -2.11 4.61 0.00 -0.19 -3.43 119.26 118.23 3gbm h ALA 165 Ca 0.00 -0.51 -0.61 0.00 0.00 0.00 0.00 54.91 53.79 3gbm h ALA 165 Cb 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.70 3gbm h ALA 165 CO 0.00 0.26 0.43 -0.51 0.00 0.00 0.00 179.25 179.43 3gbm s LEU 166 N -8.47 4.11 -0.10 0.00 1.43 -1.15 -4.84 118.68 109.66 3gbm s LEU 166 Ca -0.14 0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.23 3gbm s LEU 166 Cb 0.03 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.13 3gbm s LEU 166 CO 0.79 -0.81 -0.11 0.35 0.23 0.00 0.00 176.35 176.80 3gbm n THR 167 N 5.93 0.54 -1.59 5.49 -2.24 -1.26 -4.52 114.28 116.63 3gbm n THR 167 Ca 0.04 -0.16 -0.52 0.00 -2.27 0.00 0.00 64.05 61.14 3gbm n THR 167 Cb 0.48 -1.35 -0.06 0.00 -2.10 0.00 0.00 70.33 67.31 3gbm n THR 167 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3gbm n SER 168 N -3.20 1.64 0.00 3.42 3.41 -1.26 -2.28 113.62 115.34 3gbm n SER 168 Ca -0.18 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 3gbm n SER 168 Cb 0.65 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 3gbm n SER 168 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gbm n GLY 169 N 2.52 0.97 3.80 5.00 0.00 -1.26 -4.87 105.19 111.35 3gbm n GLY 169 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3gbm n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gbm s VAL 171 N -3.18 4.31 -0.26 1.61 1.01 -0.97 -3.09 120.40 119.84 3gbm s VAL 171 Ca 0.00 1.66 -0.01 0.00 0.00 0.00 0.00 61.98 63.63 3gbm s VAL 171 Cb 0.00 -3.89 0.13 0.00 0.00 0.00 0.00 36.38 32.62 3gbm s VAL 171 CO 0.00 0.03 0.33 -2.28 0.00 0.00 0.00 175.10 173.18 3gbm s HIS 172 N -1.75 -0.65 0.01 5.22 5.65 -0.37 -5.01 115.29 118.39 3gbm s HIS 172 Ca 0.52 0.33 -0.17 0.00 0.25 0.00 0.00 55.06 55.99 3gbm s HIS 172 Cb -0.16 -0.23 -0.06 0.00 -1.18 0.00 0.00 32.58 30.96 3gbm s HIS 172 CO 0.21 -0.81 0.49 0.99 -0.65 0.00 0.00 174.74 174.97 3gbm s THR 173 N 2.45 4.94 -0.02 0.89 2.01 -1.26 -1.21 115.64 123.43 3gbm s THR 173 Ca 0.10 1.01 -0.03 0.00 0.31 0.00 0.00 61.69 63.08 3gbm s THR 173 Cb -0.14 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 3gbm s THR 173 CO -0.23 0.53 0.17 -0.36 -0.69 0.00 0.00 174.62 174.03 3gbm s PHE 174 N -0.80 3.53 0.26 4.92 0.40 -1.01 -5.02 117.98 120.26 3gbm s PHE 174 Ca 0.26 0.36 -0.30 0.00 -0.60 0.00 0.00 56.93 56.66 3gbm s PHE 174 Cb -0.18 -1.83 -0.14 0.00 0.51 0.00 0.00 43.02 41.38 3gbm s PHE 174 CO 0.15 0.65 1.25 -2.30 0.70 0.00 0.00 175.22 175.67 3gbm n PRO 175 N 1.11 1.74 -0.93 0.24 -0.02 -1.26 -4.42 135.00 131.46 3gbm n PRO 175 Ca -0.12 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 61.67 3gbm n PRO 175 Cb 0.53 -2.16 0.15 0.00 -0.02 0.00 0.00 33.50 31.99 3gbm n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gbm s ALA 176 N -0.51 1.51 0.06 3.55 0.00 -1.26 -4.86 121.76 120.24 3gbm s ALA 176 Ca 0.64 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.93 3gbm s ALA 176 Cb -0.68 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.06 3gbm s ALA 176 CO 0.55 -2.52 0.12 0.54 0.00 0.00 0.00 175.76 174.45 3gbm s VAL 177 N -2.75 4.85 -0.48 0.00 0.11 -0.21 -4.94 120.40 116.98 3gbm s VAL 177 Ca 0.65 -0.59 -0.13 0.00 -2.93 0.00 0.00 61.98 58.98 3gbm s VAL 177 Cb -0.21 -3.33 0.10 0.00 -1.53 0.00 0.00 36.38 31.42 3gbm s VAL 177 CO 0.58 0.16 0.38 -0.22 -3.33 0.00 0.00 175.10 172.67 3gbm s LEU 178 N -2.33 5.66 0.75 2.54 2.96 -1.26 -2.89 118.68 124.11 3gbm s LEU 178 Ca 0.30 -1.61 -0.14 0.00 -0.22 0.00 0.00 54.13 52.46 3gbm s LEU 178 Cb -0.12 -2.10 0.05 0.00 0.50 0.00 0.00 46.19 44.51 3gbm s LEU 178 CO 0.23 -0.68 1.17 -1.10 -1.32 0.00 0.00 176.35 174.64 3gbm s GLN 179 N 1.52 2.11 0.57 1.98 -0.21 -0.81 -4.89 119.66 119.93 3gbm s GLN 179 Ca 0.04 1.59 0.28 0.00 0.02 0.00 0.00 55.36 57.29 3gbm s GLN 179 Cb -0.26 -1.85 1.49 0.00 1.00 0.00 0.00 33.01 33.39 3gbm s GLN 179 CO 0.03 -1.82 1.97 0.77 -2.12 0.00 0.00 175.29 174.12 3gbm h SER 180 N -0.56 0.00 0.53 5.90 0.02 -1.98 -1.70 113.55 115.77 3gbm h SER 180 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3gbm h SER 180 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3gbm h SER 180 CO 0.49 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.64 3gbm n SER 182 N -3.99 0.07 0.00 3.07 3.41 -1.26 -4.89 113.62 110.03 3gbm n SER 182 Ca 0.08 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3gbm n SER 182 Cb 0.61 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3gbm n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gbm n GLY 183 N 0.02 3.09 3.81 5.00 0.00 -0.64 -4.79 105.19 111.68 3gbm n GLY 183 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3gbm n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gbm s LEU 184 N 0.00 3.51 0.20 0.99 1.43 -1.26 -4.77 118.68 118.78 3gbm s LEU 184 Ca 0.00 1.74 0.05 0.00 -1.03 0.00 0.00 54.13 54.89 3gbm s LEU 184 Cb 0.00 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 3gbm s LEU 184 CO 0.00 -1.02 0.26 -0.31 0.23 0.00 0.00 176.35 175.51 3gbm s TYR 185 N -2.52 3.34 -0.08 0.29 1.51 0.77 -1.91 117.35 118.74 3gbm s TYR 185 Ca 0.62 0.01 -0.07 0.00 -1.01 0.00 0.00 57.07 56.62 3gbm s TYR 185 Cb -0.14 -1.56 0.02 0.00 -0.11 0.00 0.00 41.96 40.17 3gbm s TYR 185 CO 0.36 0.49 0.21 -1.12 -1.11 0.00 0.00 175.55 174.38 3gbm s SER 186 N -3.55 -0.22 0.21 2.29 0.01 -1.14 -1.18 113.70 110.12 3gbm s SER 186 Ca 0.33 0.42 -0.00 0.00 1.31 0.00 0.00 55.95 58.01 3gbm s SER 186 Cb -0.10 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 3gbm s SER 186 CO 0.27 -0.08 0.11 -1.48 0.41 0.00 0.00 173.24 172.47 3gbm s LEU 187 N 0.22 1.40 -0.03 2.44 0.05 0.19 -1.04 118.68 121.92 3gbm s LEU 187 Ca -0.01 -1.36 -0.04 0.00 0.05 0.00 0.00 54.13 52.78 3gbm s LEU 187 Cb -0.02 0.25 0.01 0.00 -2.05 0.00 0.00 46.19 44.37 3gbm s LEU 187 CO -0.01 -0.78 0.09 -0.94 -0.55 0.00 0.00 176.35 174.16 3gbm s SER 188 N -3.19 -0.05 -0.13 1.48 1.04 -1.26 -0.28 113.70 111.30 3gbm s SER 188 Ca 0.36 0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.87 3gbm s SER 188 Cb 0.07 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 3gbm s SER 188 CO 0.11 -0.10 -0.13 -0.55 0.98 0.00 0.00 173.24 173.54 3gbm s SER 189 N -0.28 4.00 -0.01 7.02 0.15 -0.60 -2.41 113.70 121.57 3gbm s SER 189 Ca -0.03 -0.33 0.05 0.00 0.70 0.00 0.00 55.95 56.34 3gbm s SER 189 Cb -0.02 -1.61 -0.01 0.00 -1.71 0.00 0.00 66.02 62.66 3gbm s SER 189 CO 0.00 0.16 -0.17 -0.69 1.20 0.00 0.00 173.24 173.74 3gbm s VAL 190 N 0.36 1.37 -0.08 4.45 1.01 -0.35 -0.89 120.40 126.28 3gbm s VAL 190 Ca -0.11 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3gbm s VAL 190 Cb -0.16 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.08 3gbm s VAL 190 CO 0.06 0.35 -0.15 0.54 0.00 0.00 0.00 175.10 175.90 3gbm s VAL 191 N -0.46 1.40 -0.05 2.92 0.11 0.36 -1.24 120.40 123.44 3gbm s VAL 191 Ca 0.06 -0.63 -0.26 0.00 -2.93 0.00 0.00 61.98 58.22 3gbm s VAL 191 Cb -0.07 -1.26 -0.03 0.00 -1.53 0.00 0.00 36.38 33.49 3gbm s VAL 191 CO -0.00 0.42 0.83 -0.89 -3.33 0.00 0.00 175.10 172.12 3gbm s THR 192 N 0.63 4.96 0.04 5.04 2.01 -1.18 -1.96 115.64 125.18 3gbm s THR 192 Ca -0.15 1.71 -0.01 0.00 0.31 0.00 0.00 61.69 63.56 3gbm s THR 192 Cb -0.16 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 3gbm s THR 192 CO 0.04 0.19 -0.03 0.68 -0.69 0.00 0.00 174.62 174.82 3gbm s VAL 193 N 1.05 0.17 0.13 3.82 -7.23 -0.40 -4.80 120.40 113.13 3gbm s VAL 193 Ca 0.43 -1.36 -0.31 0.00 -1.81 0.00 0.00 61.98 58.93 3gbm s VAL 193 Cb -0.19 -0.90 -0.10 0.00 0.56 0.00 0.00 36.38 35.75 3gbm s VAL 193 CO 0.21 -0.75 1.63 -2.16 -0.31 0.00 0.00 175.10 173.72 3gbm s PRO 194 N -2.72 4.20 0.37 4.82 0.04 -1.26 -1.91 135.00 138.54 3gbm s PRO 194 Ca -0.04 2.39 0.12 0.00 0.04 0.00 0.00 61.00 63.50 3gbm s PRO 194 Cb -0.01 -3.34 0.91 0.00 0.04 0.00 0.00 34.50 32.10 3gbm s PRO 194 CO -0.06 -0.68 1.85 0.77 0.04 0.00 0.00 177.00 178.92 3gbm h SER 195 N 7.47 0.58 -0.39 6.66 0.02 -1.82 -2.08 113.55 124.00 3gbm h SER 195 Ca -0.43 0.05 0.11 0.00 -0.84 0.00 0.00 61.79 60.68 3gbm h SER 195 Cb 1.20 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 3gbm h SER 195 CO 0.93 0.26 0.31 0.77 -1.14 0.00 0.00 176.83 177.95 3gbm h SER 196 N 0.59 0.00 0.51 3.07 4.64 -1.90 -2.24 113.55 118.23 3gbm h SER 196 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3gbm h SER 196 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3gbm h SER 196 CO -0.23 0.00 -0.22 -1.54 -0.87 0.00 0.00 176.83 173.97 3gbm n SER 197 N -4.20 0.46 0.08 4.97 3.41 -0.78 -4.75 113.62 112.82 3gbm n SER 197 Ca 0.06 -0.31 -0.09 0.00 -0.26 0.00 0.00 58.87 58.28 3gbm n SER 197 Cb 0.49 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 3gbm n SER 197 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3gbm h LEU 198 N 0.38 -0.79 -3.82 1.04 3.38 -1.53 -2.41 115.31 111.56 3gbm h LEU 198 Ca 0.00 0.08 -0.49 0.00 0.09 0.00 0.00 57.88 57.56 3gbm h LEU 198 Cb 0.45 0.28 -0.21 0.00 0.09 0.00 0.00 40.66 41.28 3gbm h LEU 198 CO 0.00 -0.30 0.62 0.61 0.09 0.00 0.00 178.44 179.46 3gbm n GLY 199 N -1.26 4.87 1.80 0.83 0.00 -1.26 -4.24 105.19 105.94 3gbm n GLY 199 Ca -0.05 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.29 3gbm n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gbm n THR 200 N -0.14 0.00 -1.56 2.61 -2.24 -1.16 -5.12 114.28 106.67 3gbm n THR 200 Ca 0.45 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.94 3gbm n THR 200 Cb 0.59 -0.35 0.17 0.00 -2.10 0.00 0.00 70.33 68.65 3gbm n THR 200 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3gbm s GLN 203 N -1.90 0.50 -0.02 -0.78 2.00 -0.92 -5.10 119.66 113.44 3gbm s GLN 203 Ca 0.00 0.00 0.01 0.00 -2.00 0.00 0.00 55.36 53.37 3gbm s GLN 203 Cb 0.00 -1.79 0.01 0.00 0.80 0.00 0.00 33.01 32.03 3gbm s GLN 203 CO 0.00 -2.58 -0.02 -0.08 -0.50 0.00 0.00 175.29 172.12 3gbm s THR 205 N -3.40 0.22 -0.16 -0.34 -1.32 -1.26 -4.93 115.64 104.45 3gbm s THR 205 Ca 0.68 -0.03 -0.01 0.00 -1.21 0.00 0.00 61.69 61.13 3gbm s THR 205 Cb -0.10 -0.26 0.04 0.00 -1.51 0.00 0.00 72.50 70.67 3gbm s THR 205 CO 0.54 0.11 -0.03 -0.31 -2.21 0.00 0.00 174.62 172.72 3gbm s TYR 206 N 0.50 1.47 -0.09 9.09 2.02 -1.26 -5.02 117.35 124.06 3gbm s TYR 206 Ca -0.05 -0.94 0.02 0.00 -0.37 0.00 0.00 57.07 55.73 3gbm s TYR 206 Cb -0.08 -1.21 -0.02 0.00 -0.40 0.00 0.00 41.96 40.26 3gbm s TYR 206 CO -0.01 -0.58 -0.15 0.42 -1.57 0.00 0.00 175.55 173.66 3gbm s ILE 207 N 1.71 2.94 -0.13 2.71 1.01 -1.26 0.39 121.20 128.57 3gbm s ILE 207 Ca 0.01 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 3gbm s ILE 207 Cb -0.15 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 3gbm s ILE 207 CO -0.07 0.55 -0.07 0.00 0.00 0.00 0.00 174.94 175.35 3gbm s ASN 209 N 0.16 5.48 -0.22 0.00 -0.87 0.11 -1.62 114.94 117.97 3gbm s ASN 209 Ca -0.04 -1.30 -0.08 0.00 -1.57 0.00 0.00 52.86 49.87 3gbm s ASN 209 Cb -0.14 -1.93 -0.04 0.00 -0.02 0.00 0.00 41.25 39.12 3gbm s ASN 209 CO 0.04 -0.42 0.09 -0.69 -2.57 0.00 0.00 177.10 173.55 3gbm s VAL 210 N 1.41 4.74 -0.11 1.60 1.01 0.27 -1.63 120.40 127.69 3gbm s VAL 210 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3gbm s VAL 210 Cb -0.21 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.01 3gbm s VAL 210 CO 0.03 0.38 -0.10 0.21 0.00 0.00 0.00 175.10 175.62 3gbm s ASN 211 N 1.06 2.23 -0.34 3.32 3.84 -0.11 -0.34 114.94 124.60 3gbm s ASN 211 Ca 0.05 -0.34 0.01 0.00 0.21 0.00 0.00 52.86 52.79 3gbm s ASN 211 Cb -0.14 -0.91 0.08 0.00 -0.55 0.00 0.00 41.25 39.74 3gbm s ASN 211 CO 0.03 -0.08 0.06 -2.28 -2.79 0.00 0.00 177.10 172.04 3gbm s HIS 212 N 1.52 3.52 0.05 0.43 5.65 -0.85 -0.90 115.29 124.70 3gbm s HIS 212 Ca 0.02 -2.46 -0.32 0.00 0.25 0.00 0.00 55.06 52.55 3gbm s HIS 212 Cb -0.13 -2.66 -0.18 0.00 -1.18 0.00 0.00 32.58 28.43 3gbm s HIS 212 CO -0.07 -0.91 1.48 1.57 -0.65 0.00 0.00 174.74 176.16 3gbm h LYS 213 N 7.85 -0.90 -1.40 2.88 -0.00 -1.85 -2.22 116.57 120.93 3gbm h LYS 213 Ca -0.13 0.06 0.41 0.00 -0.00 0.00 0.00 60.65 60.99 3gbm h LYS 213 Cb 1.04 0.21 -0.06 0.00 -0.00 0.00 0.00 32.23 33.41 3gbm h LYS 213 CO 0.56 -0.58 1.00 -1.35 -0.00 0.00 0.00 179.45 179.08 3gbm h PRO 214 N -1.03 0.02 -0.01 0.07 0.11 -1.92 0.21 132.00 129.46 3gbm h PRO 214 Ca -0.10 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3gbm h PRO 214 Cb 0.74 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3gbm h PRO 214 CO 0.16 0.01 -0.65 -1.13 -0.21 0.00 0.00 178.00 176.18 3gbm n SER 215 N -4.16 1.30 -2.21 -2.05 3.41 -1.17 -4.99 113.62 103.76 3gbm n SER 215 Ca 0.31 -1.15 -0.19 0.00 -0.26 0.00 0.00 58.87 57.58 3gbm n SER 215 Cb 1.44 0.76 -0.01 0.00 -0.26 0.00 0.00 64.21 66.15 3gbm n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gbm n ASN 216 N -0.81 -5.49 -4.48 4.04 3.02 0.74 -4.88 115.26 107.41 3gbm n ASN 216 Ca 0.05 -0.04 -0.40 0.00 -0.03 0.00 0.00 54.58 54.17 3gbm n ASN 216 Cb 0.34 -4.52 -0.11 0.00 -0.61 0.00 0.00 39.78 34.88 3gbm n ASN 216 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3gbm s THR 217 N -2.96 4.99 -0.20 3.41 -4.23 -1.08 -5.02 115.64 110.55 3gbm s THR 217 Ca 0.02 -0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 60.09 3gbm s THR 217 Cb -0.01 -3.60 -0.03 0.00 1.34 0.00 0.00 72.50 70.20 3gbm s THR 217 CO 0.03 -0.04 0.02 -0.54 -0.54 0.00 0.00 174.62 173.55 3gbm s LYS 218 N 1.67 3.72 0.03 3.99 1.02 -1.26 -2.01 119.74 126.89 3gbm s LYS 218 Ca 0.05 -0.47 0.02 0.00 0.02 0.00 0.00 55.97 55.59 3gbm s LYS 218 Cb -0.18 -3.12 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 3gbm s LYS 218 CO 0.09 0.09 -0.06 0.08 -0.92 0.00 0.00 175.35 174.62 3gbm s VAL 219 N 0.83 0.45 -0.01 3.17 1.01 0.54 -5.01 120.40 121.37 3gbm s VAL 219 Ca 0.01 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.22 3gbm s VAL 219 Cb -0.14 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 3gbm s VAL 219 CO 0.02 -0.27 -0.17 -1.81 0.00 0.00 0.00 175.10 172.88 3gbm s ASP 220 N -1.18 1.95 -0.15 3.32 1.01 -1.26 0.96 116.67 121.32 3gbm s ASP 220 Ca -0.08 -0.30 -0.01 0.00 0.71 0.00 0.00 52.55 52.88 3gbm s ASP 220 Cb -0.08 -0.24 0.04 0.00 1.01 0.00 0.00 42.92 43.65 3gbm s ASP 220 CO 0.00 0.20 -0.04 -0.75 0.21 0.00 0.00 175.17 174.79 3gbm s LYS 221 N -0.36 1.31 0.15 8.23 2.47 -0.64 -4.93 119.74 125.97 3gbm s LYS 221 Ca 0.06 -0.40 -0.31 0.00 -1.56 0.00 0.00 55.97 53.76 3gbm s LYS 221 Cb -0.07 -1.84 -0.08 0.00 -1.46 0.00 0.00 37.83 34.38 3gbm s LYS 221 CO -0.01 -0.41 1.35 -0.98 0.16 0.00 0.00 175.35 175.47 3gbm s ARG 222 N 1.70 4.35 -0.37 4.03 1.70 -1.26 -2.27 118.95 126.82 3gbm s ARG 222 Ca 0.02 2.06 -0.10 0.00 -0.47 0.00 0.00 55.73 57.24 3gbm s ARG 222 Cb -0.15 -3.23 0.04 0.00 -0.57 0.00 0.00 34.95 31.05 3gbm s ARG 222 CO -0.08 -0.36 0.19 0.08 -1.08 0.00 0.00 175.30 174.05 3gbm s VAL 223 N 0.68 4.31 0.32 4.99 1.01 0.16 -4.88 120.40 126.99 3gbm s VAL 223 Ca 0.61 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.66 3gbm s VAL 223 Cb -0.37 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3gbm s VAL 223 CO 0.34 -0.26 0.04 -1.61 0.00 0.00 0.00 175.10 173.60 3gbm s GLU 226 N 1.49 2.21 0.00 2.72 2.02 -1.26 -4.35 118.70 121.53 3gbm s GLU 226 Ca 0.01 -1.61 0.25 0.00 0.02 0.00 0.00 54.97 53.63 3gbm s GLU 226 Cb -0.20 -2.05 0.30 0.00 0.10 0.00 0.00 34.13 32.28 3gbm s GLU 226 CO 0.05 0.19 1.32 -2.30 0.02 0.00 0.00 175.26 174.54